NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
528582 | 2rrk | 11422 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -19.370 -19.587 -12.525 2 H2 GLY 1 2H GLY 1 -19.250 -21.129 -11.830 3 H3 GLY 1 3H GLY 1 -18.809 -19.759 -10.932 4 HA2 GLY 1 3HA GLY 1 -21.548 -20.372 -11.897 5 HA3 GLY 1 2HA GLY 1 -20.974 -20.631 -10.256 6 HA PRO 2 HA PRO 2 -22.242 -16.449 -9.505 7 HB2 PRO 2 2HB PRO 2 -20.774 -16.366 -7.044 8 HB3 PRO 2 3HB PRO 2 -22.500 -16.644 -7.273 9 HG2 PRO 2 2HG PRO 2 -20.715 -18.531 -6.344 10 HG3 PRO 2 3HG PRO 2 -22.274 -18.904 -7.098 11 HD2 PRO 2 2HD PRO 2 -19.531 -18.961 -8.286 12 HD3 PRO 2 3HD PRO 2 -20.903 -20.058 -8.556 13 H LEU 3 HN LEU 3 -21.247 -15.018 -10.842 14 HA LEU 3 HA LEU 3 -18.485 -14.222 -10.215 15 HB2 LEU 3 2HB LEU 3 -20.229 -13.652 -12.615 16 HB3 LEU 3 3HB LEU 3 -18.690 -12.865 -12.342 17 HG LEU 3 HG LEU 3 -17.663 -15.207 -12.335 18 HD11 LEU 3 1HD1 LEU 3 -19.719 -16.481 -12.060 19 HD12 LEU 3 2HD1 LEU 3 -18.902 -16.917 -13.562 20 HD13 LEU 3 3HD1 LEU 3 -20.317 -15.865 -13.601 21 HD21 LEU 3 3HD2 LEU 3 -17.569 -15.260 -14.781 22 HD22 LEU 3 1HD2 LEU 3 -17.375 -13.623 -14.153 23 HD23 LEU 3 2HD2 LEU 3 -18.915 -14.123 -14.852 24 H GLY 4 HN GLY 4 -21.479 -12.608 -11.251 25 HA2 GLY 4 2HA GLY 4 -20.682 -10.144 -9.987 26 HA3 GLY 4 3HA GLY 4 -22.194 -10.445 -10.831 27 H SER 5 HN SER 5 -21.922 -12.921 -8.758 28 HA SER 5 HA SER 5 -23.825 -11.838 -6.906 29 HB2 SER 5 2HB SER 5 -22.368 -14.483 -6.725 30 HB3 SER 5 3HB SER 5 -23.926 -14.063 -6.009 31 HG SER 5 HG SER 5 -24.009 -13.616 -8.656 32 H MET 6 HN MET 6 -20.483 -11.842 -7.152 33 HA MET 6 HA MET 6 -20.188 -11.197 -4.293 34 HB2 MET 6 2HB MET 6 -18.111 -12.245 -6.233 35 HB3 MET 6 3HB MET 6 -17.778 -11.742 -4.583 36 HG2 MET 6 2HG MET 6 -19.179 -13.522 -3.728 37 HG3 MET 6 3HG MET 6 -19.598 -14.003 -5.372 38 HE1 MET 6 3HE MET 6 -18.886 -16.484 -4.607 39 HE2 MET 6 1HE MET 6 -18.328 -15.924 -3.031 40 HE3 MET 6 2HE MET 6 -17.267 -16.904 -4.044 41 H LYS 7 HN LYS 7 -18.961 -9.320 -3.795 42 HA LYS 7 HA LYS 7 -18.452 -7.584 -6.108 43 HB2 LYS 7 2HB LYS 7 -19.436 -6.767 -3.371 44 HB3 LYS 7 3HB LYS 7 -18.924 -5.644 -4.625 45 HG2 LYS 7 2HG LYS 7 -20.718 -6.871 -6.060 46 HG3 LYS 7 3HG LYS 7 -21.363 -7.348 -4.487 47 HD2 LYS 7 2HD LYS 7 -20.829 -4.521 -5.393 48 HD3 LYS 7 3HD LYS 7 -22.411 -5.292 -5.322 49 HE2 LYS 7 2HE LYS 7 -22.201 -5.523 -2.905 50 HE3 LYS 7 3HE LYS 7 -20.591 -4.807 -2.964 51 HZ1 LYS 7 3HZ LYS 7 -21.568 -2.760 -3.795 52 HZ2 LYS 7 1HZ LYS 7 -22.266 -3.184 -2.308 53 HZ3 LYS 7 2HZ LYS 7 -23.113 -3.447 -3.758 54 H MET 8 HN MET 8 -16.551 -6.469 -6.144 55 HA MET 8 HA MET 8 -14.603 -7.380 -4.175 56 HB2 MET 8 2HB MET 8 -14.309 -6.197 -6.925 57 HB3 MET 8 3HB MET 8 -12.946 -6.329 -5.822 58 HG2 MET 8 2HG MET 8 -13.377 -8.774 -5.684 59 HG3 MET 8 3HG MET 8 -14.610 -8.582 -6.927 60 HE1 MET 8 3HE MET 8 -14.037 -7.638 -9.406 61 HE2 MET 8 1HE MET 8 -12.399 -7.240 -9.927 62 HE3 MET 8 2HE MET 8 -13.192 -6.266 -8.688 63 H ILE 9 HN ILE 9 -13.452 -6.112 -2.936 64 HA ILE 9 HA ILE 9 -14.146 -3.257 -2.814 65 HB ILE 9 HB ILE 9 -12.870 -5.070 -0.772 66 HG12 ILE 9 2HG1 ILE 9 -15.629 -3.870 -0.956 67 HG13 ILE 9 3HG1 ILE 9 -15.200 -5.577 -0.957 68 HG21 ILE 9 1HG2 ILE 9 -12.109 -2.664 -0.733 69 HG22 ILE 9 2HG2 ILE 9 -12.774 -3.319 0.767 70 HG23 ILE 9 3HG2 ILE 9 -13.760 -2.254 -0.252 71 HD11 ILE 9 3HD1 ILE 9 -14.955 -3.663 1.347 72 HD12 ILE 9 1HD1 ILE 9 -14.388 -5.334 1.362 73 HD13 ILE 9 2HD1 ILE 9 -16.110 -4.985 1.178 74 H GLU 10 HN GLU 10 -12.659 -2.032 -3.832 75 HA GLU 10 HA GLU 10 -10.072 -3.241 -4.417 76 HB2 GLU 10 2HB GLU 10 -11.422 -0.757 -5.513 77 HB3 GLU 10 3HB GLU 10 -9.825 -1.309 -5.993 78 HG2 GLU 10 2HG GLU 10 -12.260 -3.033 -6.294 79 HG3 GLU 10 3HG GLU 10 -11.776 -1.865 -7.522 80 H VAL 11 HN VAL 11 -8.268 -2.616 -3.403 81 HA VAL 11 HA VAL 11 -8.250 -0.010 -2.062 82 HB VAL 11 HB VAL 11 -7.204 -2.569 -0.826 83 HG11 VAL 11 1HG1 VAL 11 -7.309 0.231 0.287 84 HG12 VAL 11 2HG1 VAL 11 -5.860 -0.608 -0.267 85 HG13 VAL 11 3HG1 VAL 11 -6.740 -1.204 1.140 86 HG21 VAL 11 3HG2 VAL 11 -9.575 -0.886 -0.022 87 HG22 VAL 11 1HG2 VAL 11 -8.951 -2.279 0.860 88 HG23 VAL 11 2HG2 VAL 11 -9.641 -2.493 -0.747 89 H VAL 12 HN VAL 12 -6.454 1.111 -2.502 90 HA VAL 12 HA VAL 12 -4.256 -0.340 -3.807 91 HB VAL 12 HB VAL 12 -3.581 2.019 -4.593 92 HG11 VAL 12 1HG1 VAL 12 -5.174 1.903 -6.506 93 HG12 VAL 12 2HG1 VAL 12 -6.056 0.649 -5.637 94 HG13 VAL 12 3HG1 VAL 12 -4.390 0.366 -6.137 95 HG21 VAL 12 3HG2 VAL 12 -6.447 2.526 -3.793 96 HG22 VAL 12 1HG2 VAL 12 -5.495 3.585 -4.833 97 HG23 VAL 12 2HG2 VAL 12 -5.012 3.327 -3.157 98 H ALA 13 HN ALA 13 -2.258 -0.270 -2.985 99 HA ALA 13 HA ALA 13 -1.865 1.314 -0.541 100 HB1 ALA 13 1HB ALA 13 -0.642 -1.370 -1.209 101 HB2 ALA 13 2HB ALA 13 -2.006 -1.127 -0.115 102 HB3 ALA 13 3HB ALA 13 -0.421 -0.457 0.285 103 H ALA 14 HN ALA 14 -0.085 2.582 -0.485 104 HA ALA 14 HA ALA 14 1.458 2.695 -2.982 105 HB1 ALA 14 1HB ALA 14 0.290 4.743 -2.478 106 HB2 ALA 14 2HB ALA 14 2.017 5.003 -2.279 107 HB3 ALA 14 3HB ALA 14 0.988 4.787 -0.862 108 H ILE 15 HN ILE 15 3.451 1.966 -2.953 109 HA ILE 15 HA ILE 15 4.831 1.728 -0.388 110 HB ILE 15 HB ILE 15 5.518 0.615 -3.117 111 HG12 ILE 15 2HG1 ILE 15 4.351 -0.535 -0.601 112 HG13 ILE 15 3HG1 ILE 15 3.795 -0.715 -2.261 113 HG21 ILE 15 1HG2 ILE 15 6.987 0.213 -0.519 114 HG22 ILE 15 2HG2 ILE 15 7.538 1.235 -1.845 115 HG23 ILE 15 3HG2 ILE 15 7.391 -0.508 -2.074 116 HD11 ILE 15 3HD1 ILE 15 4.716 -2.791 -1.435 117 HD12 ILE 15 1HD1 ILE 15 6.241 -1.979 -1.045 118 HD13 ILE 15 2HD1 ILE 15 5.725 -2.151 -2.735 119 H ILE 16 HN ILE 16 5.662 3.675 0.118 120 HA ILE 16 HA ILE 16 6.776 5.338 -1.997 121 HB ILE 16 HB ILE 16 6.371 6.007 0.926 122 HG12 ILE 16 2HG1 ILE 16 4.582 6.573 -1.451 123 HG13 ILE 16 3HG1 ILE 16 4.235 5.448 -0.145 124 HG21 ILE 16 1HG2 ILE 16 6.885 7.749 -1.484 125 HG22 ILE 16 2HG2 ILE 16 7.999 7.441 -0.151 126 HG23 ILE 16 3HG2 ILE 16 6.509 8.345 0.133 127 HD11 ILE 16 3HD1 ILE 16 4.158 7.290 1.432 128 HD12 ILE 16 1HD1 ILE 16 3.015 7.526 0.112 129 HD13 ILE 16 2HD1 ILE 16 4.534 8.423 0.135 130 H GLU 17 HN GLU 17 8.788 4.762 -2.465 131 HA GLU 17 HA GLU 17 10.516 3.825 -0.287 132 HB2 GLU 17 2HB GLU 17 10.094 2.193 -2.073 133 HB3 GLU 17 3HB GLU 17 10.697 3.334 -3.265 134 HG2 GLU 17 2HG GLU 17 12.896 3.277 -2.054 135 HG3 GLU 17 3HG GLU 17 12.247 1.939 -1.104 136 H ARG 18 HN ARG 18 11.720 5.443 0.435 137 HA ARG 18 HA ARG 18 13.139 7.070 -1.561 138 HB2 ARG 18 2HB ARG 18 11.270 8.271 -0.240 139 HB3 ARG 18 3HB ARG 18 12.357 8.151 1.138 140 HG2 ARG 18 2HG ARG 18 12.622 10.305 0.125 141 HG3 ARG 18 3HG ARG 18 14.079 9.356 -0.175 142 HD2 ARG 18 2HD ARG 18 13.181 8.793 -2.430 143 HD3 ARG 18 3HD ARG 18 11.817 9.859 -2.109 144 HE ARG 18 HE ARG 18 13.379 11.716 -2.030 145 HH11 ARG 18 1HH1 ARG 18 14.557 8.716 -3.433 146 HH12 ARG 18 2HH1 ARG 18 15.810 9.498 -4.348 147 HH21 ARG 18 1HH2 ARG 18 15.028 12.732 -3.247 148 HH22 ARG 18 2HH2 ARG 18 16.061 11.771 -4.261 149 H ASP 19 HN ASP 19 15.264 7.085 -1.342 150 HA ASP 19 HA ASP 19 17.364 6.827 -0.524 151 HB2 ASP 19 2HB ASP 19 16.063 6.555 2.193 152 HB3 ASP 19 3HB ASP 19 17.793 6.683 1.902 153 H GLY 20 HN GLY 20 15.102 4.512 -0.721 154 HA2 GLY 20 2HA GLY 20 15.771 2.264 -1.216 155 HA3 GLY 20 3HA GLY 20 17.031 2.421 0.003 156 H LYS 21 HN LYS 21 14.378 3.940 1.195 157 HA LYS 21 HA LYS 21 13.597 1.539 2.701 158 HB2 LYS 21 2HB LYS 21 13.572 4.398 3.677 159 HB3 LYS 21 3HB LYS 21 13.216 2.960 4.624 160 HG2 LYS 21 2HG LYS 21 15.703 2.380 3.742 161 HG3 LYS 21 3HG LYS 21 15.789 4.136 3.862 162 HD2 LYS 21 2HD LYS 21 15.059 4.054 6.165 163 HD3 LYS 21 3HD LYS 21 14.861 2.304 6.067 164 HE2 LYS 21 2HE LYS 21 16.938 2.809 7.179 165 HE3 LYS 21 3HE LYS 21 17.274 2.091 5.603 166 HZ1 LYS 21 3HZ LYS 21 17.876 4.177 4.722 167 HZ2 LYS 21 1HZ LYS 21 18.648 4.081 6.228 168 HZ3 LYS 21 2HZ LYS 21 17.247 5.023 6.049 169 H ILE 22 HN ILE 22 11.403 1.488 3.468 170 HA ILE 22 HA ILE 22 9.567 2.787 1.567 171 HB ILE 22 HB ILE 22 8.929 0.419 3.325 172 HG12 ILE 22 2HG1 ILE 22 9.962 0.324 0.482 173 HG13 ILE 22 3HG1 ILE 22 10.923 -0.073 1.904 174 HG21 ILE 22 1HG2 ILE 22 6.972 1.411 2.423 175 HG22 ILE 22 2HG2 ILE 22 7.294 -0.025 1.440 176 HG23 ILE 22 3HG2 ILE 22 7.712 1.582 0.832 177 HD11 ILE 22 3HD1 ILE 22 10.102 -2.074 0.823 178 HD12 ILE 22 1HD1 ILE 22 8.441 -1.500 0.983 179 HD13 ILE 22 2HD1 ILE 22 9.382 -1.894 2.425 180 H LEU 23 HN LEU 23 7.676 3.782 2.330 181 HA LEU 23 HA LEU 23 7.888 4.808 5.027 182 HB2 LEU 23 2HB LEU 23 7.360 6.286 3.097 183 HB3 LEU 23 3HB LEU 23 5.837 5.437 2.906 184 HG LEU 23 HG LEU 23 5.200 6.167 5.206 185 HD11 LEU 23 1HD1 LEU 23 7.709 7.819 4.989 186 HD12 LEU 23 2HD1 LEU 23 7.404 6.512 6.133 187 HD13 LEU 23 3HD1 LEU 23 6.465 8.002 6.226 188 HD21 LEU 23 3HD2 LEU 23 5.855 8.328 3.210 189 HD22 LEU 23 1HD2 LEU 23 4.749 8.502 4.573 190 HD23 LEU 23 2HD2 LEU 23 4.380 7.363 3.280 191 H LEU 24 HN LEU 24 6.930 3.943 6.665 192 HA LEU 24 HA LEU 24 4.447 2.399 6.249 193 HB2 LEU 24 2HB LEU 24 6.617 2.008 8.305 194 HB3 LEU 24 3HB LEU 24 5.033 1.282 8.455 195 HG LEU 24 HG LEU 24 5.458 0.147 6.237 196 HD11 LEU 24 1HD1 LEU 24 7.776 -0.098 5.529 197 HD12 LEU 24 2HD1 LEU 24 8.274 1.068 6.755 198 HD13 LEU 24 3HD1 LEU 24 7.240 1.578 5.420 199 HD21 LEU 24 3HD2 LEU 24 6.826 -1.607 7.223 200 HD22 LEU 24 1HD2 LEU 24 5.634 -1.012 8.378 201 HD23 LEU 24 2HD2 LEU 24 7.318 -0.509 8.513 202 H ALA 25 HN ALA 25 2.680 2.899 7.419 203 HA ALA 25 HA ALA 25 2.940 5.180 9.278 204 HB1 ALA 25 1HB ALA 25 0.827 6.014 8.515 205 HB2 ALA 25 2HB ALA 25 0.582 4.593 7.498 206 HB3 ALA 25 3HB ALA 25 1.863 5.744 7.111 207 H GLN 26 HN GLN 26 2.363 4.756 11.281 208 HA GLN 26 HA GLN 26 1.248 2.264 12.041 209 HB2 GLN 26 2HB GLN 26 2.806 3.664 13.416 210 HB3 GLN 26 3HB GLN 26 1.459 4.744 13.740 211 HG2 GLN 26 2HG GLN 26 0.293 3.087 14.947 212 HG3 GLN 26 3HG GLN 26 1.390 1.819 14.401 213 HE21 GLN 26 1HE2 GLN 26 0.935 4.462 16.601 214 HE22 GLN 26 2HE2 GLN 26 2.328 4.144 17.584 215 H ARG 27 HN ARG 27 -0.774 1.632 11.966 216 HA ARG 27 HA ARG 27 -2.947 3.113 13.037 217 HB2 ARG 27 2HB ARG 27 -2.904 4.359 10.985 218 HB3 ARG 27 3HB ARG 27 -2.742 2.894 10.030 219 HG2 ARG 27 2HG ARG 27 -4.970 3.630 9.773 220 HG3 ARG 27 3HG ARG 27 -5.024 2.230 10.845 221 HD2 ARG 27 2HD ARG 27 -5.115 3.777 12.779 222 HD3 ARG 27 3HD ARG 27 -5.175 5.134 11.653 223 HE ARG 27 HE ARG 27 -7.294 3.171 12.149 224 HH11 ARG 27 1HH1 ARG 27 -6.190 6.028 10.450 225 HH12 ARG 27 2HH1 ARG 27 -7.788 6.487 9.921 226 HH21 ARG 27 1HH2 ARG 27 -9.396 3.798 11.493 227 HH22 ARG 27 2HH2 ARG 27 -9.596 5.230 10.524 228 HA PRO 28 HA PRO 28 -4.374 -1.157 12.700 229 HB2 PRO 28 2HB PRO 28 -5.478 -1.368 15.091 230 HB3 PRO 28 3HB PRO 28 -3.720 -1.246 14.958 231 HG2 PRO 28 2HG PRO 28 -5.715 0.836 15.723 232 HG3 PRO 28 3HG PRO 28 -4.102 0.528 16.375 233 HD2 PRO 28 2HD PRO 28 -4.774 2.442 14.411 234 HD3 PRO 28 3HD PRO 28 -3.135 1.923 14.855 235 H ALA 29 HN ALA 29 -6.843 -1.645 14.081 236 HA ALA 29 HA ALA 29 -8.666 -0.022 12.431 237 HB1 ALA 29 1HB ALA 29 -8.449 -2.328 11.605 238 HB2 ALA 29 2HB ALA 29 -10.086 -1.963 12.150 239 HB3 ALA 29 3HB ALA 29 -9.013 -2.927 13.165 240 H GLN 30 HN GLN 30 -9.483 -2.456 14.843 241 HA GLN 30 HA GLN 30 -10.718 -0.328 16.462 242 HB2 GLN 30 2HB GLN 30 -11.505 -3.229 16.143 243 HB3 GLN 30 3HB GLN 30 -12.211 -2.148 17.337 244 HG2 GLN 30 2HG GLN 30 -12.994 -0.690 15.516 245 HG3 GLN 30 3HG GLN 30 -12.339 -1.836 14.348 246 HE21 GLN 30 1HE2 GLN 30 -13.366 -3.793 14.027 247 HE22 GLN 30 2HE2 GLN 30 -14.966 -4.118 14.603 248 H SER 31 HN SER 31 -8.004 -1.841 16.364 249 HA SER 31 HA SER 31 -7.782 -3.143 18.880 250 HB2 SER 31 2HB SER 31 -5.529 -1.989 17.228 251 HB3 SER 31 3HB SER 31 -5.472 -3.367 18.330 252 HG SER 31 HG SER 31 -6.201 -4.624 16.803 253 H ASP 32 HN ASP 32 -7.412 -2.266 20.825 254 HA ASP 32 HA ASP 32 -7.233 0.604 21.090 255 HB2 ASP 32 2HB ASP 32 -8.520 -0.997 22.618 256 HB3 ASP 32 3HB ASP 32 -6.959 -1.431 23.304 257 H GLN 33 HN GLN 33 -5.039 -1.708 20.406 258 HA GLN 33 HA GLN 33 -2.847 -0.423 21.873 259 HB2 GLN 33 2HB GLN 33 -1.529 -2.441 21.110 260 HB3 GLN 33 3HB GLN 33 -2.820 -2.761 22.262 261 HG2 GLN 33 2HG GLN 33 -4.224 -3.639 20.564 262 HG3 GLN 33 3HG GLN 33 -3.129 -3.103 19.289 263 HE21 GLN 33 1HE2 GLN 33 -3.685 -5.429 21.812 264 HE22 GLN 33 2HE2 GLN 33 -2.444 -6.540 21.337 265 H ALA 34 HN ALA 34 -0.754 -0.304 20.629 266 HA ALA 34 HA ALA 34 -1.251 0.365 17.805 267 HB1 ALA 34 1HB ALA 34 0.409 1.973 19.750 268 HB2 ALA 34 2HB ALA 34 -1.160 2.436 19.090 269 HB3 ALA 34 3HB ALA 34 0.238 2.297 18.024 270 H GLY 35 HN GLY 35 1.129 0.862 16.852 271 HA2 GLY 35 2HA GLY 35 3.458 0.160 17.033 272 HA3 GLY 35 3HA GLY 35 2.881 -1.338 17.735 273 H LEU 36 HN LEU 36 0.696 -1.709 15.818 274 HA LEU 36 HA LEU 36 2.110 -2.802 13.662 275 HB2 LEU 36 2HB LEU 36 -0.851 -2.287 13.869 276 HB3 LEU 36 3HB LEU 36 -0.041 -3.522 12.913 277 HG LEU 36 HG LEU 36 0.808 -4.052 15.494 278 HD11 LEU 36 1HD1 LEU 36 -1.229 -4.167 16.839 279 HD12 LEU 36 2HD1 LEU 36 -2.121 -3.345 15.559 280 HD13 LEU 36 3HD1 LEU 36 -0.829 -2.503 16.413 281 HD21 LEU 36 3HD2 LEU 36 0.233 -5.682 13.814 282 HD22 LEU 36 1HD2 LEU 36 -1.474 -5.258 13.952 283 HD23 LEU 36 2HD2 LEU 36 -0.637 -6.007 15.314 284 H TRP 37 HN TRP 37 2.846 -1.810 11.947 285 HA TRP 37 HA TRP 37 1.686 0.725 11.084 286 HB2 TRP 37 2HB TRP 37 4.184 -0.652 10.079 287 HB3 TRP 37 3HB TRP 37 3.697 1.012 9.771 288 HD1 TRP 37 1HD TRP 37 2.884 1.601 12.887 289 HE1 TRP 37 1HE TRP 37 4.780 2.000 14.572 290 HE3 TRP 37 3HE TRP 37 6.734 -0.561 10.300 291 HZ2 TRP 37 2HZ TRP 37 7.550 1.492 14.767 292 HZ3 TRP 37 3HZ TRP 37 8.977 -0.552 11.308 293 HH2 TRP 37 2HH TRP 37 9.377 0.453 13.495 294 H GLU 38 HN GLU 38 1.200 1.087 8.856 295 HA GLU 38 HA GLU 38 0.650 -1.328 7.268 296 HB2 GLU 38 2HB GLU 38 -1.449 -0.183 6.471 297 HB3 GLU 38 3HB GLU 38 -1.492 -0.698 8.153 298 HG2 GLU 38 2HG GLU 38 -1.373 1.461 8.957 299 HG3 GLU 38 3HG GLU 38 -0.628 2.081 7.488 300 H PHE 39 HN PHE 39 0.373 -0.825 4.934 301 HA PHE 39 HA PHE 39 2.144 1.334 4.114 302 HB2 PHE 39 2HB PHE 39 0.834 -0.949 2.653 303 HB3 PHE 39 3HB PHE 39 1.627 0.359 1.785 304 HD1 PHE 39 1HD PHE 39 2.486 -1.586 4.833 305 HD2 PHE 39 2HD PHE 39 3.604 -0.319 0.944 306 HE1 PHE 39 1HE PHE 39 4.631 -2.746 5.081 307 HE2 PHE 39 2HE PHE 39 5.748 -1.463 1.180 308 HZ PHE 39 HZ PHE 39 6.284 -2.688 3.252 309 H ALA 40 HN ALA 40 1.395 3.282 3.670 310 HA ALA 40 HA ALA 40 -1.272 4.007 3.971 311 HB1 ALA 40 1HB ALA 40 0.865 5.549 2.515 312 HB2 ALA 40 2HB ALA 40 0.620 5.540 4.261 313 HB3 ALA 40 3HB ALA 40 -0.625 6.202 3.200 314 H GLY 41 HN GLY 41 -2.821 4.798 2.510 315 HA2 GLY 41 2HA GLY 41 -2.786 4.839 -0.221 316 HA3 GLY 41 3HA GLY 41 -3.073 3.150 0.189 317 H GLY 42 HN GLY 42 -5.169 2.825 -0.229 318 HA2 GLY 42 2HA GLY 42 -7.161 3.557 1.495 319 HA3 GLY 42 3HA GLY 42 -7.150 4.847 0.306 320 H LYS 43 HN LYS 43 -9.406 3.554 0.552 321 HA LYS 43 HA LYS 43 -9.625 1.319 -1.237 322 HB2 LYS 43 2HB LYS 43 -11.184 1.407 0.561 323 HB3 LYS 43 3HB LYS 43 -11.641 3.060 0.183 324 HG2 LYS 43 2HG LYS 43 -12.805 2.367 -1.772 325 HG3 LYS 43 3HG LYS 43 -12.182 0.725 -1.628 326 HD2 LYS 43 2HD LYS 43 -13.453 0.352 0.368 327 HD3 LYS 43 3HD LYS 43 -13.940 2.047 0.434 328 HE2 LYS 43 2HE LYS 43 -14.608 0.316 -1.924 329 HE3 LYS 43 3HE LYS 43 -15.619 0.322 -0.479 330 HZ1 LYS 43 3HZ LYS 43 -14.905 2.845 -1.860 331 HZ2 LYS 43 1HZ LYS 43 -16.187 2.539 -0.792 332 HZ3 LYS 43 2HZ LYS 43 -16.225 1.909 -2.367 333 H VAL 44 HN VAL 44 -10.607 1.294 -3.275 334 HA VAL 44 HA VAL 44 -10.291 3.833 -4.724 335 HB VAL 44 HB VAL 44 -10.465 1.035 -5.865 336 HG11 VAL 44 1HG1 VAL 44 -9.608 3.642 -7.122 337 HG12 VAL 44 2HG1 VAL 44 -11.126 2.796 -7.423 338 HG13 VAL 44 3HG1 VAL 44 -9.598 2.061 -7.906 339 HG21 VAL 44 3HG2 VAL 44 -8.050 1.186 -6.194 340 HG22 VAL 44 1HG2 VAL 44 -8.479 1.257 -4.484 341 HG23 VAL 44 2HG2 VAL 44 -8.033 2.731 -5.343 342 H GLU 45 HN GLU 45 -12.116 4.877 -5.184 343 HA GLU 45 HA GLU 45 -14.643 3.502 -5.342 344 HB2 GLU 45 2HB GLU 45 -13.921 6.345 -6.097 345 HB3 GLU 45 3HB GLU 45 -15.552 5.707 -5.931 346 HG2 GLU 45 2HG GLU 45 -13.507 6.103 -3.762 347 HG3 GLU 45 3HG GLU 45 -15.042 6.947 -3.966 348 HA PRO 46 HA PRO 46 -14.300 2.064 -9.463 349 HB2 PRO 46 2HB PRO 46 -16.926 2.493 -10.290 350 HB3 PRO 46 3HB PRO 46 -16.339 1.067 -9.432 351 HG2 PRO 46 2HG PRO 46 -17.751 3.470 -8.373 352 HG3 PRO 46 3HG PRO 46 -17.904 1.770 -7.891 353 HD2 PRO 46 2HD PRO 46 -16.531 3.527 -6.403 354 HD3 PRO 46 3HD PRO 46 -15.995 1.842 -6.575 355 H ASP 47 HN ASP 47 -15.789 5.168 -8.887 356 HA ASP 47 HA ASP 47 -15.572 6.009 -11.633 357 HB2 ASP 47 2HB ASP 47 -16.534 8.128 -10.814 358 HB3 ASP 47 3HB ASP 47 -17.471 6.720 -10.331 359 H GLU 48 HN GLU 48 -13.357 5.838 -9.197 360 HA GLU 48 HA GLU 48 -11.786 7.985 -10.482 361 HB2 GLU 48 2HB GLU 48 -10.516 8.315 -8.480 362 HB3 GLU 48 3HB GLU 48 -12.220 8.398 -8.062 363 HG2 GLU 48 2HG GLU 48 -12.082 6.073 -7.237 364 HG3 GLU 48 3HG GLU 48 -10.350 6.093 -7.574 365 H SER 49 HN SER 49 -9.373 7.536 -10.543 366 HA SER 49 HA SER 49 -9.059 4.867 -11.639 367 HB2 SER 49 2HB SER 49 -8.229 6.718 -12.974 368 HB3 SER 49 3HB SER 49 -7.248 7.294 -11.630 369 HG SER 49 HG SER 49 -6.661 5.452 -13.508 370 H GLN 50 HN GLN 50 -7.271 3.494 -11.038 371 HA GLN 50 HA GLN 50 -6.960 3.244 -8.252 372 HB2 GLN 50 2HB GLN 50 -5.332 2.031 -10.483 373 HB3 GLN 50 3HB GLN 50 -5.240 1.541 -8.794 374 HG2 GLN 50 2HG GLN 50 -7.696 1.020 -8.920 375 HG3 GLN 50 3HG GLN 50 -7.574 1.260 -10.661 376 HE21 GLN 50 1HE2 GLN 50 -8.091 -0.863 -11.138 377 HE22 GLN 50 2HE2 GLN 50 -7.011 -2.178 -10.826 378 H ARG 51 HN ARG 51 -4.767 4.546 -10.738 379 HA ARG 51 HA ARG 51 -2.689 5.187 -8.901 380 HB2 ARG 51 2HB ARG 51 -3.316 6.553 -11.525 381 HB3 ARG 51 3HB ARG 51 -1.831 6.707 -10.607 382 HG2 ARG 51 2HG ARG 51 -1.426 4.281 -10.969 383 HG3 ARG 51 3HG ARG 51 -2.823 4.269 -12.053 384 HD2 ARG 51 2HD ARG 51 -1.789 5.912 -13.480 385 HD3 ARG 51 3HD ARG 51 -0.446 6.099 -12.359 386 HE ARG 51 HE ARG 51 -0.821 3.440 -13.459 387 HH11 ARG 51 1HH1 ARG 51 0.800 6.538 -13.682 388 HH12 ARG 51 2HH1 ARG 51 2.116 5.930 -14.648 389 HH21 ARG 51 1HH2 ARG 51 0.913 2.627 -14.730 390 HH22 ARG 51 2HH2 ARG 51 2.192 3.701 -15.223 391 H GLN 52 HN GLN 52 -5.555 6.819 -10.055 392 HA GLN 52 HA GLN 52 -4.900 9.413 -9.102 393 HB2 GLN 52 2HB GLN 52 -6.498 9.196 -10.869 394 HB3 GLN 52 3HB GLN 52 -7.487 8.095 -9.925 395 HG2 GLN 52 2HG GLN 52 -8.165 9.854 -8.461 396 HG3 GLN 52 3HG GLN 52 -7.035 10.980 -9.213 397 HE21 GLN 52 1HE2 GLN 52 -7.510 11.836 -11.226 398 HE22 GLN 52 2HE2 GLN 52 -9.085 11.741 -11.923 399 H ALA 53 HN ALA 53 -6.678 6.666 -7.828 400 HA ALA 53 HA ALA 53 -7.666 7.849 -5.492 401 HB1 ALA 53 1HB ALA 53 -8.438 5.681 -6.290 402 HB2 ALA 53 2HB ALA 53 -7.852 5.560 -4.630 403 HB3 ALA 53 3HB ALA 53 -6.853 4.982 -5.963 404 H LEU 54 HN LEU 54 -4.605 6.064 -6.063 405 HA LEU 54 HA LEU 54 -3.614 6.290 -3.449 406 HB2 LEU 54 2HB LEU 54 -2.314 5.965 -6.134 407 HB3 LEU 54 3HB LEU 54 -1.335 6.187 -4.696 408 HG LEU 54 HG LEU 54 -3.298 3.940 -5.160 409 HD11 LEU 54 1HD1 LEU 54 -0.282 3.969 -5.106 410 HD12 LEU 54 2HD1 LEU 54 -1.294 3.740 -6.533 411 HD13 LEU 54 3HD1 LEU 54 -1.298 2.535 -5.246 412 HD21 LEU 54 3HD2 LEU 54 -3.238 4.454 -2.831 413 HD22 LEU 54 1HD2 LEU 54 -1.483 4.594 -2.850 414 HD23 LEU 54 2HD2 LEU 54 -2.241 3.023 -3.089 415 H VAL 55 HN VAL 55 -3.234 8.364 -6.268 416 HA VAL 55 HA VAL 55 -1.409 10.185 -5.183 417 HB VAL 55 HB VAL 55 -3.493 10.556 -7.344 418 HG11 VAL 55 1HG1 VAL 55 -1.206 12.390 -6.613 419 HG12 VAL 55 2HG1 VAL 55 -2.919 12.729 -6.363 420 HG13 VAL 55 3HG1 VAL 55 -2.280 12.571 -8.001 421 HG21 VAL 55 3HG2 VAL 55 -1.734 8.910 -7.797 422 HG22 VAL 55 1HG2 VAL 55 -0.509 10.139 -7.481 423 HG23 VAL 55 2HG2 VAL 55 -1.604 10.316 -8.855 424 H ARG 56 HN ARG 56 -4.970 10.269 -5.246 425 HA ARG 56 HA ARG 56 -5.006 12.770 -3.844 426 HB2 ARG 56 2HB ARG 56 -7.420 12.604 -3.876 427 HB3 ARG 56 3HB ARG 56 -6.764 12.218 -5.455 428 HG2 ARG 56 2HG ARG 56 -8.240 10.540 -5.361 429 HG3 ARG 56 3HG ARG 56 -6.976 9.745 -4.420 430 HD2 ARG 56 2HD ARG 56 -8.013 10.329 -2.370 431 HD3 ARG 56 3HD ARG 56 -9.126 11.437 -3.171 432 HE ARG 56 HE ARG 56 -9.611 8.941 -4.273 433 HH11 ARG 56 1HH1 ARG 56 -9.713 10.435 -1.101 434 HH12 ARG 56 2HH1 ARG 56 -10.971 9.397 -0.511 435 HH21 ARG 56 1HH2 ARG 56 -11.290 7.588 -3.524 436 HH22 ARG 56 2HH2 ARG 56 -11.860 7.760 -1.887 437 H GLU 57 HN GLU 57 -5.587 9.382 -2.898 438 HA GLU 57 HA GLU 57 -6.321 9.874 -0.248 439 HB2 GLU 57 2HB GLU 57 -4.898 7.536 -1.510 440 HB3 GLU 57 3HB GLU 57 -5.323 7.562 0.196 441 HG2 GLU 57 2HG GLU 57 -7.348 7.958 -1.986 442 HG3 GLU 57 3HG GLU 57 -6.914 6.369 -1.361 443 H LEU 58 HN LEU 58 -3.064 9.435 -1.634 444 HA LEU 58 HA LEU 58 -1.743 9.742 0.872 445 HB2 LEU 58 2HB LEU 58 -0.577 10.368 -1.827 446 HB3 LEU 58 3HB LEU 58 0.302 10.014 -0.362 447 HG LEU 58 HG LEU 58 -1.341 8.082 -1.975 448 HD11 LEU 58 1HD1 LEU 58 1.611 8.274 -1.429 449 HD12 LEU 58 2HD1 LEU 58 0.801 8.548 -2.972 450 HD13 LEU 58 3HD1 LEU 58 0.822 6.934 -2.261 451 HD21 LEU 58 3HD2 LEU 58 0.109 7.632 0.619 452 HD22 LEU 58 1HD2 LEU 58 -0.616 6.377 -0.387 453 HD23 LEU 58 2HD2 LEU 58 -1.637 7.599 0.372 454 H ARG 59 HN ARG 59 -2.790 11.984 -1.632 455 HA ARG 59 HA ARG 59 -1.580 14.281 -0.578 456 HB2 ARG 59 2HB ARG 59 -2.529 14.286 -2.799 457 HB3 ARG 59 3HB ARG 59 -4.135 13.968 -2.160 458 HG2 ARG 59 2HG ARG 59 -4.214 16.132 -1.127 459 HG3 ARG 59 3HG ARG 59 -2.541 16.454 -1.588 460 HD2 ARG 59 2HD ARG 59 -3.144 16.416 -3.931 461 HD3 ARG 59 3HD ARG 59 -4.802 15.971 -3.525 462 HE ARG 59 HE ARG 59 -4.942 18.181 -2.390 463 HH11 ARG 59 1HH1 ARG 59 -2.651 17.661 -4.995 464 HH12 ARG 59 2HH1 ARG 59 -2.542 19.344 -5.414 465 HH21 ARG 59 1HH2 ARG 59 -4.804 20.393 -2.933 466 HH22 ARG 59 2HH2 ARG 59 -3.739 20.902 -4.215 467 H GLU 60 HN GLU 60 -4.581 12.640 0.256 468 HA GLU 60 HA GLU 60 -5.398 14.775 2.017 469 HB2 GLU 60 2HB GLU 60 -6.593 12.015 1.690 470 HB3 GLU 60 3HB GLU 60 -7.334 13.381 2.513 471 HG2 GLU 60 2HG GLU 60 -7.191 14.600 0.292 472 HG3 GLU 60 3HG GLU 60 -6.812 13.037 -0.419 473 H GLU 61 HN GLU 61 -4.065 11.510 2.360 474 HA GLU 61 HA GLU 61 -4.121 11.758 5.252 475 HB2 GLU 61 2HB GLU 61 -3.295 9.522 3.420 476 HB3 GLU 61 3HB GLU 61 -2.998 9.483 5.161 477 HG2 GLU 61 2HG GLU 61 -5.705 9.844 3.946 478 HG3 GLU 61 3HG GLU 61 -5.028 8.300 4.488 479 H LEU 62 HN LEU 62 -1.651 11.577 2.692 480 HA LEU 62 HA LEU 62 0.387 11.869 4.789 481 HB2 LEU 62 2HB LEU 62 0.731 11.106 1.893 482 HB3 LEU 62 3HB LEU 62 1.979 11.099 3.124 483 HG LEU 62 HG LEU 62 -0.431 9.278 2.998 484 HD11 LEU 62 1HD1 LEU 62 2.527 8.769 2.678 485 HD12 LEU 62 2HD1 LEU 62 1.316 8.737 1.396 486 HD13 LEU 62 3HD1 LEU 62 1.266 7.538 2.687 487 HD21 LEU 62 3HD2 LEU 62 0.111 9.845 5.316 488 HD22 LEU 62 1HD2 LEU 62 1.795 9.402 5.038 489 HD23 LEU 62 2HD2 LEU 62 0.535 8.172 4.953 490 H GLY 63 HN GLY 63 -1.367 13.960 3.107 491 HA2 GLY 63 2HA GLY 63 -1.084 15.966 2.071 492 HA3 GLY 63 3HA GLY 63 0.230 16.142 3.214 493 H ILE 64 HN ILE 64 0.358 13.721 0.637 494 HA ILE 64 HA ILE 64 2.260 15.491 -0.745 495 HB ILE 64 HB ILE 64 3.697 13.591 -1.306 496 HG12 ILE 64 2HG1 ILE 64 1.999 12.019 0.648 497 HG13 ILE 64 3HG1 ILE 64 2.051 11.775 -1.095 498 HG21 ILE 64 1HG2 ILE 64 4.274 15.000 0.570 499 HG22 ILE 64 2HG2 ILE 64 4.745 13.330 0.886 500 HG23 ILE 64 3HG2 ILE 64 3.302 13.998 1.649 501 HD11 ILE 64 3HD1 ILE 64 3.398 10.110 0.002 502 HD12 ILE 64 1HD1 ILE 64 4.320 11.358 0.841 503 HD13 ILE 64 2HD1 ILE 64 4.440 11.202 -0.912 504 H GLU 65 HN GLU 65 2.319 15.462 -2.900 505 HA GLU 65 HA GLU 65 0.164 14.073 -4.298 506 HB2 GLU 65 2HB GLU 65 2.159 16.151 -5.223 507 HB3 GLU 65 3HB GLU 65 0.865 15.497 -6.213 508 HG2 GLU 65 2HG GLU 65 -0.791 16.462 -4.752 509 HG3 GLU 65 3HG GLU 65 0.469 17.020 -3.650 510 H ALA 66 HN ALA 66 0.774 11.985 -4.613 511 HA ALA 66 HA ALA 66 3.552 11.343 -5.105 512 HB1 ALA 66 1HB ALA 66 2.205 10.005 -3.549 513 HB2 ALA 66 2HB ALA 66 2.875 9.036 -4.861 514 HB3 ALA 66 3HB ALA 66 1.175 9.507 -4.891 515 H THR 67 HN THR 67 4.311 10.126 -6.842 516 HA THR 67 HA THR 67 2.703 10.343 -9.297 517 HB THR 67 HB THR 67 5.717 10.134 -9.046 518 HG1 THR 67 1HG THR 67 5.644 12.233 -8.753 519 HG21 THR 67 3HG2 THR 67 5.711 10.741 -11.432 520 HG22 THR 67 1HG2 THR 67 3.949 10.684 -11.434 521 HG23 THR 67 2HG2 THR 67 4.879 9.213 -11.140 522 H VAL 68 HN VAL 68 1.752 8.420 -9.667 523 HA VAL 68 HA VAL 68 2.907 5.976 -8.669 524 HB VAL 68 HB VAL 68 0.470 6.307 -10.416 525 HG11 VAL 68 1HG1 VAL 68 1.336 4.042 -10.385 526 HG12 VAL 68 2HG1 VAL 68 -0.176 4.130 -9.483 527 HG13 VAL 68 3HG1 VAL 68 1.363 4.055 -8.622 528 HG21 VAL 68 3HG2 VAL 68 0.227 7.617 -8.373 529 HG22 VAL 68 1HG2 VAL 68 0.658 6.207 -7.406 530 HG23 VAL 68 2HG2 VAL 68 -0.834 6.209 -8.346 531 H GLY 69 HN GLY 69 3.997 4.427 -9.844 532 HA2 GLY 69 2HA GLY 69 4.028 4.730 -12.763 533 HA3 GLY 69 3HA GLY 69 5.550 4.728 -11.890 534 H GLU 70 HN GLU 70 6.138 2.797 -10.720 535 HA GLU 70 HA GLU 70 5.553 0.526 -12.414 536 HB2 GLU 70 2HB GLU 70 7.479 -0.523 -11.295 537 HB3 GLU 70 3HB GLU 70 7.880 1.058 -11.950 538 HG2 GLU 70 2HG GLU 70 7.430 1.955 -9.612 539 HG3 GLU 70 3HG GLU 70 7.460 0.271 -9.096 540 H TYR 71 HN TYR 71 4.242 -1.074 -11.917 541 HA TYR 71 HA TYR 71 2.900 -1.199 -9.395 542 HB2 TYR 71 2HB TYR 71 2.784 -3.283 -11.566 543 HB3 TYR 71 3HB TYR 71 1.528 -2.805 -10.435 544 HD1 TYR 71 2HD TYR 71 0.543 -0.434 -10.702 545 HD2 TYR 71 1HD TYR 71 2.845 -2.373 -13.709 546 HE1 TYR 71 2HE TYR 71 -0.387 1.092 -12.389 547 HE2 TYR 71 1HE TYR 71 1.924 -0.850 -15.404 548 HH TYR 71 HH TYR 71 0.034 0.574 -15.768 549 H VAL 72 HN VAL 72 3.329 -2.551 -7.706 550 HA VAL 72 HA VAL 72 5.735 -4.190 -7.901 551 HB VAL 72 HB VAL 72 4.050 -3.464 -5.498 552 HG11 VAL 72 1HG1 VAL 72 5.164 -5.610 -5.192 553 HG12 VAL 72 2HG1 VAL 72 5.874 -4.371 -4.158 554 HG13 VAL 72 3HG1 VAL 72 6.709 -4.878 -5.627 555 HG21 VAL 72 3HG2 VAL 72 6.747 -2.446 -6.388 556 HG22 VAL 72 1HG2 VAL 72 5.918 -2.008 -4.894 557 HG23 VAL 72 2HG2 VAL 72 5.227 -1.550 -6.452 558 H ALA 73 HN ALA 73 2.600 -4.683 -6.245 559 HA ALA 73 HA ALA 73 2.170 -7.195 -7.596 560 HB1 ALA 73 1HB ALA 73 2.864 -7.241 -4.660 561 HB2 ALA 73 2HB ALA 73 3.857 -7.877 -5.971 562 HB3 ALA 73 3HB ALA 73 2.295 -8.612 -5.612 563 H SER 74 HN SER 74 0.200 -8.286 -6.846 564 HA SER 74 HA SER 74 -1.625 -6.482 -5.415 565 HB2 SER 74 2HB SER 74 -3.456 -7.422 -6.856 566 HB3 SER 74 3HB SER 74 -2.273 -6.460 -7.740 567 HG SER 74 HG SER 74 -3.025 -8.797 -8.408 568 H HIS 75 HN HIS 75 -3.158 -7.467 -4.056 569 HA HIS 75 HA HIS 75 -2.856 -10.353 -3.621 570 HB2 HIS 75 2HB HIS 75 -1.374 -9.261 -1.999 571 HB3 HIS 75 3HB HIS 75 -2.711 -8.274 -1.423 572 HD1 HIS 75 1HD HIS 75 -1.914 -11.978 -1.761 573 HD2 HIS 75 2HD HIS 75 -3.920 -9.338 0.748 574 HE1 HIS 75 1HE HIS 75 -2.734 -13.368 0.173 575 HE2 HIS 75 2HE HIS 75 -3.729 -11.700 1.785 576 H GLN 76 HN GLN 76 -4.705 -11.388 -3.041 577 HA GLN 76 HA GLN 76 -7.097 -9.702 -2.728 578 HB2 GLN 76 2HB GLN 76 -6.654 -12.273 -4.191 579 HB3 GLN 76 3HB GLN 76 -8.257 -11.870 -3.585 580 HG2 GLN 76 2HG GLN 76 -8.297 -9.855 -4.876 581 HG3 GLN 76 3HG GLN 76 -6.632 -10.109 -5.401 582 HE21 GLN 76 1HE2 GLN 76 -9.935 -11.149 -5.744 583 HE22 GLN 76 2HE2 GLN 76 -9.704 -12.077 -7.188 584 H ARG 77 HN ARG 77 -8.449 -10.069 -1.116 585 HA ARG 77 HA ARG 77 -8.277 -12.491 0.490 586 HB2 ARG 77 2HB ARG 77 -8.085 -11.238 2.603 587 HB3 ARG 77 3HB ARG 77 -6.661 -11.011 1.598 588 HG2 ARG 77 2HG ARG 77 -7.530 -8.830 0.882 589 HG3 ARG 77 3HG ARG 77 -8.935 -9.066 1.926 590 HD2 ARG 77 2HD ARG 77 -7.491 -9.162 3.877 591 HD3 ARG 77 3HD ARG 77 -6.069 -8.997 2.855 592 HE ARG 77 HE ARG 77 -7.463 -6.783 2.250 593 HH11 ARG 77 1HH1 ARG 77 -6.611 -8.225 5.319 594 HH12 ARG 77 2HH1 ARG 77 -6.433 -6.702 6.134 595 HH21 ARG 77 1HH2 ARG 77 -7.204 -4.751 3.323 596 HH22 ARG 77 2HH2 ARG 77 -6.736 -4.727 4.989 597 H GLU 78 HN GLU 78 -10.141 -12.264 2.262 598 HA GLU 78 HA GLU 78 -12.333 -10.854 0.903 599 HB2 GLU 78 2HB GLU 78 -13.823 -12.631 1.348 600 HB3 GLU 78 3HB GLU 78 -12.355 -13.387 0.752 601 HG2 GLU 78 2HG GLU 78 -11.697 -13.798 3.125 602 HG3 GLU 78 3HG GLU 78 -13.302 -13.231 3.592 603 H VAL 79 HN VAL 79 -13.930 -9.922 2.119 604 HA VAL 79 HA VAL 79 -13.523 -9.816 5.018 605 HB VAL 79 HB VAL 79 -12.826 -7.666 4.290 606 HG11 VAL 79 1HG1 VAL 79 -13.690 -7.663 2.032 607 HG12 VAL 79 2HG1 VAL 79 -14.195 -6.197 2.871 608 HG13 VAL 79 3HG1 VAL 79 -15.341 -7.519 2.638 609 HG21 VAL 79 3HG2 VAL 79 -14.239 -7.627 6.251 610 HG22 VAL 79 1HG2 VAL 79 -15.680 -7.494 5.242 611 HG23 VAL 79 2HG2 VAL 79 -14.509 -6.175 5.285 612 H SER 80 HN SER 80 -15.066 -11.217 5.590 613 HA SER 80 HA SER 80 -16.981 -12.440 5.549 614 HB2 SER 80 2HB SER 80 -19.009 -11.026 6.097 615 HB3 SER 80 3HB SER 80 -17.611 -10.793 7.145 616 HG SER 80 HG SER 80 -18.185 -9.148 4.904 617 H GLY 81 HN GLY 81 -16.539 -13.031 3.232 618 HA2 GLY 81 2HA GLY 81 -17.710 -13.753 1.373 619 HA3 GLY 81 3HA GLY 81 -19.003 -12.641 1.779 620 H ARG 82 HN ARG 82 -16.850 -10.416 1.849 621 HA ARG 82 HA ARG 82 -17.077 -9.895 -1.030 622 HB2 ARG 82 2HB ARG 82 -16.403 -8.021 1.247 623 HB3 ARG 82 3HB ARG 82 -16.568 -7.547 -0.438 624 HG2 ARG 82 2HG ARG 82 -18.909 -8.277 -0.394 625 HG3 ARG 82 3HG ARG 82 -18.735 -8.676 1.316 626 HD2 ARG 82 2HD ARG 82 -18.138 -6.323 1.768 627 HD3 ARG 82 3HD ARG 82 -18.417 -5.949 0.069 628 HE ARG 82 HE ARG 82 -20.717 -7.189 1.074 629 HH11 ARG 82 1HH1 ARG 82 -18.932 -4.198 1.520 630 HH12 ARG 82 2HH1 ARG 82 -20.345 -3.276 1.935 631 HH21 ARG 82 1HH2 ARG 82 -22.551 -5.989 1.655 632 HH22 ARG 82 2HH2 ARG 82 -22.402 -4.303 2.052 633 H ILE 83 HN ILE 83 -15.317 -9.549 -2.339 634 HA ILE 83 HA ILE 83 -12.794 -10.477 -1.199 635 HB ILE 83 HB ILE 83 -13.775 -10.262 -4.041 636 HG12 ILE 83 2HG1 ILE 83 -13.181 -12.710 -4.025 637 HG13 ILE 83 3HG1 ILE 83 -12.861 -12.566 -2.304 638 HG21 ILE 83 1HG2 ILE 83 -10.977 -10.917 -3.128 639 HG22 ILE 83 2HG2 ILE 83 -11.476 -9.511 -4.067 640 HG23 ILE 83 3HG2 ILE 83 -11.587 -11.125 -4.770 641 HD11 ILE 83 3HD1 ILE 83 -15.057 -13.522 -2.769 642 HD12 ILE 83 1HD1 ILE 83 -15.514 -12.054 -3.633 643 HD13 ILE 83 2HD1 ILE 83 -15.178 -11.992 -1.902 644 H ILE 84 HN ILE 84 -11.420 -9.013 -0.516 645 HA ILE 84 HA ILE 84 -11.411 -6.336 -1.641 646 HB ILE 84 HB ILE 84 -9.222 -6.796 0.172 647 HG12 ILE 84 2HG1 ILE 84 -11.923 -7.802 0.989 648 HG13 ILE 84 3HG1 ILE 84 -10.328 -8.450 1.370 649 HG21 ILE 84 1HG2 ILE 84 -10.364 -4.650 -0.462 650 HG22 ILE 84 2HG2 ILE 84 -10.078 -4.890 1.263 651 HG23 ILE 84 3HG2 ILE 84 -11.691 -5.149 0.597 652 HD11 ILE 84 3HD1 ILE 84 -9.930 -6.569 2.873 653 HD12 ILE 84 1HD1 ILE 84 -11.364 -7.487 3.334 654 HD13 ILE 84 2HD1 ILE 84 -11.543 -5.933 2.498 655 H HIS 85 HN HIS 85 -9.933 -5.536 -2.947 656 HA HIS 85 HA HIS 85 -7.907 -7.402 -4.004 657 HB2 HIS 85 2HB HIS 85 -9.958 -6.889 -5.409 658 HB3 HIS 85 3HB HIS 85 -9.390 -5.232 -5.497 659 HD1 HIS 85 1HD HIS 85 -9.383 -5.590 -8.078 660 HD2 HIS 85 2HD HIS 85 -6.625 -7.888 -5.979 661 HE1 HIS 85 1HE HIS 85 -7.774 -6.471 -9.807 662 HE2 HIS 85 2HE HIS 85 -6.237 -8.016 -8.536 663 H LEU 86 HN LEU 86 -6.060 -6.653 -2.999 664 HA LEU 86 HA LEU 86 -5.668 -3.763 -2.819 665 HB2 LEU 86 2HB LEU 86 -4.390 -6.094 -1.440 666 HB3 LEU 86 3HB LEU 86 -3.591 -4.535 -1.466 667 HG LEU 86 HG LEU 86 -5.843 -3.645 -0.521 668 HD11 LEU 86 1HD1 LEU 86 -6.017 -6.545 0.264 669 HD12 LEU 86 2HD1 LEU 86 -7.106 -5.708 -0.842 670 HD13 LEU 86 3HD1 LEU 86 -7.046 -5.242 0.858 671 HD21 LEU 86 3HD2 LEU 86 -3.975 -5.303 1.163 672 HD22 LEU 86 1HD2 LEU 86 -5.049 -4.030 1.746 673 HD23 LEU 86 2HD2 LEU 86 -3.711 -3.628 0.666 674 H HIS 87 HN HIS 87 -4.181 -2.671 -3.896 675 HA HIS 87 HA HIS 87 -2.281 -4.166 -5.600 676 HB2 HIS 87 2HB HIS 87 -3.488 -1.426 -6.061 677 HB3 HIS 87 3HB HIS 87 -2.338 -2.229 -7.122 678 HD1 HIS 87 1HD HIS 87 -5.929 -2.390 -6.009 679 HD2 HIS 87 2HD HIS 87 -3.434 -4.047 -8.886 680 HE1 HIS 87 1HE HIS 87 -7.451 -3.564 -7.621 681 HE2 HIS 87 2HE HIS 87 -5.937 -4.292 -9.498 682 H ALA 88 HN ALA 88 -0.263 -4.017 -4.742 683 HA ALA 88 HA ALA 88 0.490 -1.596 -3.275 684 HB1 ALA 88 1HB ALA 88 1.107 -3.713 -2.248 685 HB2 ALA 88 2HB ALA 88 2.553 -2.826 -2.723 686 HB3 ALA 88 3HB ALA 88 1.993 -4.183 -3.698 687 H TRP 89 HN TRP 89 1.095 0.029 -4.558 688 HA TRP 89 HA TRP 89 2.764 -0.638 -6.890 689 HB2 TRP 89 2HB TRP 89 0.764 1.597 -6.535 690 HB3 TRP 89 3HB TRP 89 1.905 1.518 -7.874 691 HD1 TRP 89 1HD TRP 89 1.106 -1.931 -7.504 692 HE1 TRP 89 1HE TRP 89 -0.843 -2.677 -9.010 693 HE3 TRP 89 3HE TRP 89 -0.813 2.666 -8.663 694 HZ2 TRP 89 2HZ TRP 89 -2.904 -1.469 -10.497 695 HZ3 TRP 89 3HZ TRP 89 -2.776 2.777 -10.140 696 HH2 TRP 89 2HH TRP 89 -3.797 0.751 -11.036 697 H HIS 90 HN HIS 90 4.545 0.596 -7.334 698 HA HIS 90 HA HIS 90 5.678 1.883 -4.971 699 HB2 HIS 90 2HB HIS 90 7.002 0.132 -6.000 700 HB3 HIS 90 3HB HIS 90 6.915 0.933 -7.560 701 HD1 HIS 90 1HD HIS 90 8.551 2.856 -7.997 702 HD2 HIS 90 2HD HIS 90 8.870 1.226 -4.190 703 HE1 HIS 90 1HE HIS 90 10.692 3.766 -7.056 704 HE2 HIS 90 2HE HIS 90 11.004 2.520 -4.884 705 H VAL 91 HN VAL 91 5.459 3.997 -4.794 706 HA VAL 91 HA VAL 91 5.269 5.648 -7.182 707 HB VAL 91 HB VAL 91 4.899 7.529 -5.536 708 HG11 VAL 91 1HG1 VAL 91 2.587 6.814 -5.014 709 HG12 VAL 91 2HG1 VAL 91 3.010 5.177 -5.515 710 HG13 VAL 91 3HG1 VAL 91 3.047 6.494 -6.687 711 HG21 VAL 91 3HG2 VAL 91 4.256 6.919 -3.254 712 HG22 VAL 91 1HG2 VAL 91 5.939 6.502 -3.579 713 HG23 VAL 91 2HG2 VAL 91 4.704 5.243 -3.574 714 HA PRO 92 HA PRO 92 9.709 6.115 -6.649 715 HB2 PRO 92 2HB PRO 92 10.232 6.967 -9.145 716 HB3 PRO 92 3HB PRO 92 9.876 5.275 -8.789 717 HG2 PRO 92 2HG PRO 92 8.100 7.387 -9.937 718 HG3 PRO 92 3HG PRO 92 8.237 5.674 -10.377 719 HD2 PRO 92 2HD PRO 92 6.263 6.704 -8.764 720 HD3 PRO 92 3HD PRO 92 6.804 5.016 -8.732 721 H ASP 93 HN ASP 93 7.321 8.411 -6.918 722 HA ASP 93 HA ASP 93 9.121 10.565 -6.223 723 HB2 ASP 93 2HB ASP 93 9.158 10.743 -8.651 724 HB3 ASP 93 3HB ASP 93 7.402 10.671 -8.704 725 H PHE 94 HN PHE 94 8.147 12.088 -5.022 726 HA PHE 94 HA PHE 94 5.242 12.329 -4.995 727 HB2 PHE 94 2HB PHE 94 5.167 12.274 -2.515 728 HB3 PHE 94 3HB PHE 94 5.641 10.727 -3.205 729 HD1 PHE 94 2HD PHE 94 8.048 10.048 -3.133 730 HD2 PHE 94 1HD PHE 94 6.573 13.439 -1.029 731 HE1 PHE 94 2HE PHE 94 10.064 10.044 -1.724 732 HE2 PHE 94 1HE PHE 94 8.591 13.447 0.382 733 HZ PHE 94 HZ PHE 94 10.340 11.742 0.034 734 H HIS 95 HN HIS 95 4.578 14.396 -4.751 735 HA HIS 95 HA HIS 95 6.649 16.417 -4.266 736 HB2 HIS 95 2HB HIS 95 3.852 16.687 -5.395 737 HB3 HIS 95 3HB HIS 95 4.995 18.009 -5.214 738 HD1 HIS 95 1HD HIS 95 3.679 16.675 -7.906 739 HD2 HIS 95 2HD HIS 95 7.605 16.425 -6.541 740 HE1 HIS 95 1HE HIS 95 5.077 16.139 -9.931 741 HE2 HIS 95 2HE HIS 95 7.419 15.835 -9.051 742 H GLY 96 HN GLY 96 6.780 17.322 -2.328 743 HA2 GLY 96 2HA GLY 96 5.479 18.704 -0.705 744 HA3 GLY 96 3HA GLY 96 4.360 17.349 -0.635 745 H THR 97 HN THR 97 4.795 17.450 1.692 746 HA THR 97 HA THR 97 7.155 15.810 2.317 747 HB THR 97 HB THR 97 6.058 18.035 4.056 748 HG1 THR 97 1HG THR 97 7.765 18.092 1.992 749 HG21 THR 97 3HG2 THR 97 6.995 16.157 5.338 750 HG22 THR 97 1HG2 THR 97 8.009 17.596 5.466 751 HG23 THR 97 2HG2 THR 97 8.488 16.272 4.405 752 H LEU 98 HN LEU 98 6.779 14.144 3.719 753 HA LEU 98 HA LEU 98 4.056 13.264 3.636 754 HB2 LEU 98 2HB LEU 98 5.186 11.278 5.052 755 HB3 LEU 98 3HB LEU 98 5.160 11.357 3.310 756 HG LEU 98 HG LEU 98 7.322 10.638 4.339 757 HD11 LEU 98 1HD1 LEU 98 8.731 11.988 2.846 758 HD12 LEU 98 2HD1 LEU 98 7.364 13.064 2.564 759 HD13 LEU 98 3HD1 LEU 98 7.272 11.377 2.068 760 HD21 LEU 98 3HD2 LEU 98 8.822 12.380 5.214 761 HD22 LEU 98 1HD2 LEU 98 7.424 12.093 6.249 762 HD23 LEU 98 2HD2 LEU 98 7.474 13.515 5.212 763 H GLN 99 HN GLN 99 2.577 13.395 5.090 764 HA GLN 99 HA GLN 99 3.334 13.802 7.898 765 HB2 GLN 99 2HB GLN 99 1.563 15.458 8.145 766 HB3 GLN 99 3HB GLN 99 2.679 15.965 6.883 767 HG2 GLN 99 2HG GLN 99 1.077 15.034 5.210 768 HG3 GLN 99 3HG GLN 99 -0.062 14.792 6.534 769 HE21 GLN 99 1HE2 GLN 99 -1.561 16.223 5.690 770 HE22 GLN 99 2HE2 GLN 99 -1.306 17.942 5.707 771 H ALA 100 HN ALA 100 1.625 13.113 9.396 772 HA ALA 100 HA ALA 100 0.060 10.932 8.194 773 HB1 ALA 100 1HB ALA 100 0.872 11.135 11.081 774 HB2 ALA 100 2HB ALA 100 1.863 10.358 9.849 775 HB3 ALA 100 3HB ALA 100 0.261 9.722 10.219 776 H HIS 101 HN HIS 101 -1.973 11.640 7.834 777 HA HIS 101 HA HIS 101 -3.303 13.435 9.646 778 HB2 HIS 101 2HB HIS 101 -3.783 13.588 7.271 779 HB3 HIS 101 3HB HIS 101 -4.278 11.902 7.225 780 HD1 HIS 101 1HD HIS 101 -6.711 11.642 7.124 781 HD2 HIS 101 2HD HIS 101 -5.609 15.038 9.271 782 HE1 HIS 101 1HE HIS 101 -8.865 12.716 7.858 783 HE2 HIS 101 2HE HIS 101 -8.170 14.670 9.296 784 H GLU 102 HN GLU 102 -4.496 10.325 8.402 785 HA GLU 102 HA GLU 102 -5.790 9.801 10.958 786 HB2 GLU 102 2HB GLU 102 -6.024 8.804 8.165 787 HB3 GLU 102 3HB GLU 102 -6.481 7.695 9.464 788 HG2 GLU 102 2HG GLU 102 -7.944 9.598 10.342 789 HG3 GLU 102 3HG GLU 102 -7.683 10.350 8.768 790 H HIS 103 HN HIS 103 -2.864 9.621 10.618 791 HA HIS 103 HA HIS 103 -2.544 6.853 11.524 792 HB2 HIS 103 2HB HIS 103 -0.765 8.282 9.528 793 HB3 HIS 103 3HB HIS 103 -0.356 6.758 10.305 794 HD1 HIS 103 1HD HIS 103 -2.893 8.200 7.858 795 HD2 HIS 103 2HD HIS 103 -1.425 4.523 9.144 796 HE1 HIS 103 1HE HIS 103 -3.854 6.491 6.284 797 HE2 HIS 103 2HE HIS 103 -2.921 4.269 7.049 798 H GLN 104 HN GLN 104 -0.861 6.581 13.068 799 HA GLN 104 HA GLN 104 -0.566 8.971 14.663 800 HB2 GLN 104 2HB GLN 104 -1.219 6.923 15.767 801 HB3 GLN 104 3HB GLN 104 0.228 6.108 15.190 802 HG2 GLN 104 2HG GLN 104 1.625 7.439 16.581 803 HG3 GLN 104 3HG GLN 104 0.285 8.499 17.010 804 HE21 GLN 104 1HE2 GLN 104 -1.620 6.351 17.344 805 HE22 GLN 104 2HE2 GLN 104 -1.201 5.566 18.835 806 H ALA 105 HN ALA 105 1.756 6.491 13.553 807 HA ALA 105 HA ALA 105 3.818 8.588 13.616 808 HB1 ALA 105 1HB ALA 105 4.168 5.654 14.227 809 HB2 ALA 105 2HB ALA 105 4.152 6.965 15.408 810 HB3 ALA 105 3HB ALA 105 5.446 6.870 14.214 811 H LEU 106 HN LEU 106 5.506 8.422 12.058 812 HA LEU 106 HA LEU 106 4.890 6.741 9.722 813 HB2 LEU 106 2HB LEU 106 4.757 9.559 9.869 814 HB3 LEU 106 3HB LEU 106 6.235 9.191 9.004 815 HG LEU 106 HG LEU 106 4.924 7.830 7.400 816 HD11 LEU 106 1HD1 LEU 106 2.567 8.917 8.925 817 HD12 LEU 106 2HD1 LEU 106 3.065 7.230 8.830 818 HD13 LEU 106 3HD1 LEU 106 2.484 8.061 7.386 819 HD21 LEU 106 3HD2 LEU 106 3.991 10.679 7.725 820 HD22 LEU 106 1HD2 LEU 106 3.882 9.717 6.252 821 HD23 LEU 106 2HD2 LEU 106 5.461 10.156 6.902 822 H VAL 107 HN VAL 107 6.612 5.533 9.104 823 HA VAL 107 HA VAL 107 9.281 6.398 9.976 824 HB VAL 107 HB VAL 107 8.405 4.855 11.675 825 HG11 VAL 107 1HG1 VAL 107 8.247 2.856 9.426 826 HG12 VAL 107 2HG1 VAL 107 6.888 3.554 10.308 827 HG13 VAL 107 3HG1 VAL 107 8.031 2.498 11.140 828 HG21 VAL 107 3HG2 VAL 107 10.801 4.911 11.264 829 HG22 VAL 107 1HG2 VAL 107 10.631 3.666 10.024 830 HG23 VAL 107 2HG2 VAL 107 10.280 3.286 11.711 831 H TRP 108 HN TRP 108 10.958 5.810 8.697 832 HA TRP 108 HA TRP 108 10.327 4.386 6.207 833 HB2 TRP 108 2HB TRP 108 12.251 6.534 6.910 834 HB3 TRP 108 3HB TRP 108 12.822 5.320 5.772 835 HD1 TRP 108 1HD TRP 108 10.464 4.876 3.891 836 HE1 TRP 108 1HE TRP 108 9.560 6.749 2.382 837 HE3 TRP 108 3HE TRP 108 12.219 8.914 6.489 838 HZ2 TRP 108 2HZ TRP 108 9.598 9.569 2.298 839 HZ3 TRP 108 3HZ TRP 108 11.747 11.166 5.618 840 HH2 TRP 108 2HH TRP 108 10.463 11.484 3.565 841 H CYS 109 HN CYS 109 10.861 2.322 6.180 842 HA CYS 109 HA CYS 109 13.451 1.548 7.317 843 HB2 CYS 109 2HB CYS 109 12.484 -0.549 8.209 844 HB3 CYS 109 3HB CYS 109 11.838 0.881 9.005 845 HG CYS 109 HG CYS 109 9.937 0.017 6.446 846 H SER 110 HN SER 110 14.300 -0.455 6.413 847 HA SER 110 HA SER 110 13.992 -0.431 3.577 848 HB2 SER 110 2HB SER 110 15.481 -2.408 5.325 849 HB3 SER 110 3HB SER 110 15.718 -2.151 3.595 850 HG SER 110 HG SER 110 17.278 -0.964 4.579 851 HA PRO 111 HA PRO 111 10.864 -3.418 2.730 852 HB2 PRO 111 2HB PRO 111 12.301 -5.221 1.121 853 HB3 PRO 111 3HB PRO 111 11.390 -3.815 0.570 854 HG2 PRO 111 2HG PRO 111 14.312 -4.110 1.052 855 HG3 PRO 111 3HG PRO 111 13.461 -3.138 -0.163 856 HD2 PRO 111 2HD PRO 111 14.583 -2.017 2.000 857 HD3 PRO 111 3HD PRO 111 13.053 -1.408 1.330 858 H GLU 112 HN GLU 112 14.001 -5.024 3.264 859 HA GLU 112 HA GLU 112 12.921 -7.472 4.149 860 HB2 GLU 112 2HB GLU 112 15.211 -7.915 4.988 861 HB3 GLU 112 3HB GLU 112 15.202 -7.312 3.336 862 HG2 GLU 112 2HG GLU 112 15.693 -5.039 4.249 863 HG3 GLU 112 3HG GLU 112 15.896 -5.788 5.831 864 H GLU 113 HN GLU 113 13.835 -4.532 5.825 865 HA GLU 113 HA GLU 113 13.650 -5.513 8.475 866 HB2 GLU 113 2HB GLU 113 13.232 -2.673 7.517 867 HB3 GLU 113 3HB GLU 113 13.701 -3.181 9.132 868 HG2 GLU 113 2HG GLU 113 15.396 -3.690 6.704 869 HG3 GLU 113 3HG GLU 113 15.523 -2.227 7.676 870 H ALA 114 HN ALA 114 11.384 -3.997 6.258 871 HA ALA 114 HA ALA 114 9.374 -3.311 8.074 872 HB1 ALA 114 1HB ALA 114 9.114 -3.987 5.146 873 HB2 ALA 114 2HB ALA 114 9.492 -2.401 5.817 874 HB3 ALA 114 3HB ALA 114 7.918 -3.134 6.119 875 H LEU 115 HN LEU 115 9.888 -6.308 6.260 876 HA LEU 115 HA LEU 115 7.336 -7.398 6.901 877 HB2 LEU 115 2HB LEU 115 9.266 -7.931 5.053 878 HB3 LEU 115 3HB LEU 115 9.498 -9.256 6.171 879 HG LEU 115 HG LEU 115 7.978 -9.674 4.174 880 HD11 LEU 115 1HD1 LEU 115 6.397 -11.017 5.453 881 HD12 LEU 115 2HD1 LEU 115 6.854 -10.164 6.928 882 HD13 LEU 115 3HD1 LEU 115 8.034 -11.175 6.091 883 HD21 LEU 115 3HD2 LEU 115 6.768 -7.521 4.337 884 HD22 LEU 115 1HD2 LEU 115 6.020 -8.089 5.828 885 HD23 LEU 115 2HD2 LEU 115 5.700 -8.923 4.309 886 H GLN 116 HN GLN 116 10.110 -7.002 8.750 887 HA GLN 116 HA GLN 116 9.627 -9.336 10.421 888 HB2 GLN 116 2HB GLN 116 11.621 -7.074 10.647 889 HB3 GLN 116 3HB GLN 116 11.517 -8.417 11.776 890 HG2 GLN 116 2HG GLN 116 12.007 -9.975 9.950 891 HG3 GLN 116 3HG GLN 116 12.144 -8.612 8.840 892 HE21 GLN 116 1HE2 GLN 116 13.577 -10.263 11.542 893 HE22 GLN 116 2HE2 GLN 116 15.133 -9.520 11.428 894 H TYR 117 HN TYR 117 8.160 -6.462 10.037 895 HA TYR 117 HA TYR 117 7.677 -6.044 12.904 896 HB2 TYR 117 2HB TYR 117 7.554 -4.238 10.513 897 HB3 TYR 117 3HB TYR 117 6.629 -3.844 11.960 898 HD1 TYR 117 1HD TYR 117 9.984 -4.231 10.542 899 HD2 TYR 117 2HD TYR 117 7.756 -3.176 14.003 900 HE1 TYR 117 1HE TYR 117 12.014 -3.278 11.546 901 HE2 TYR 117 2HE TYR 117 9.780 -2.219 15.022 902 HH TYR 117 HH TYR 117 12.733 -1.811 13.211 903 HA PRO 118 HA PRO 118 3.506 -7.368 12.596 904 HB2 PRO 118 2HB PRO 118 2.125 -5.571 14.089 905 HB3 PRO 118 3HB PRO 118 3.198 -6.788 14.788 906 HG2 PRO 118 2HG PRO 118 3.681 -3.885 14.305 907 HG3 PRO 118 3HG PRO 118 4.190 -4.899 15.666 908 HD2 PRO 118 2HD PRO 118 5.832 -4.165 13.599 909 HD3 PRO 118 3HD PRO 118 6.063 -5.632 14.568 910 H LEU 119 HN LEU 119 3.752 -6.628 10.263 911 HA LEU 119 HA LEU 119 2.135 -4.383 9.456 912 HB2 LEU 119 2HB LEU 119 3.427 -6.662 7.968 913 HB3 LEU 119 3HB LEU 119 2.447 -5.452 7.165 914 HG LEU 119 HG LEU 119 5.029 -4.945 8.655 915 HD11 LEU 119 1HD1 LEU 119 5.350 -6.113 6.541 916 HD12 LEU 119 2HD1 LEU 119 5.931 -4.452 6.445 917 HD13 LEU 119 3HD1 LEU 119 4.389 -4.890 5.710 918 HD21 LEU 119 3HD2 LEU 119 3.489 -3.056 8.831 919 HD22 LEU 119 1HD2 LEU 119 3.271 -3.063 7.080 920 HD23 LEU 119 2HD2 LEU 119 4.846 -2.673 7.773 921 H ALA 120 HN ALA 120 0.124 -4.546 8.314 922 HA ALA 120 HA ALA 120 -1.725 -6.395 9.323 923 HB1 ALA 120 1HB ALA 120 -2.381 -4.224 8.413 924 HB2 ALA 120 2HB ALA 120 -3.257 -5.533 7.618 925 HB3 ALA 120 3HB ALA 120 -1.906 -4.751 6.798 926 HA PRO 121 HA PRO 121 -1.119 -10.171 7.230 927 HB2 PRO 121 2HB PRO 121 -3.730 -10.823 6.532 928 HB3 PRO 121 3HB PRO 121 -2.976 -11.133 8.099 929 HG2 PRO 121 2HG PRO 121 -4.771 -8.895 7.266 930 HG3 PRO 121 3HG PRO 121 -4.721 -9.783 8.800 931 HD2 PRO 121 2HD PRO 121 -3.683 -7.334 8.587 932 HD3 PRO 121 3HD PRO 121 -2.896 -8.579 9.579 933 H ALA 122 HN ALA 122 -2.787 -7.641 5.512 934 HA ALA 122 HA ALA 122 -2.650 -9.070 2.979 935 HB1 ALA 122 1HB ALA 122 -3.773 -7.121 2.033 936 HB2 ALA 122 2HB ALA 122 -3.629 -6.282 3.579 937 HB3 ALA 122 3HB ALA 122 -4.631 -7.727 3.450 938 H ASP 123 HN ASP 123 -0.882 -6.741 4.783 939 HA ASP 123 HA ASP 123 0.443 -5.505 2.546 940 HB2 ASP 123 2HB ASP 123 0.972 -5.369 5.524 941 HB3 ASP 123 3HB ASP 123 1.798 -4.387 4.321 942 H ILE 124 HN ILE 124 0.927 -8.229 4.563 943 HA ILE 124 HA ILE 124 3.727 -8.454 4.471 944 HB ILE 124 HB ILE 124 1.640 -10.618 4.755 945 HG12 ILE 124 2HG1 ILE 124 3.273 -9.142 6.834 946 HG13 ILE 124 3HG1 ILE 124 1.565 -8.872 6.496 947 HG21 ILE 124 1HG2 ILE 124 4.601 -10.716 5.327 948 HG22 ILE 124 2HG2 ILE 124 3.757 -11.574 4.039 949 HG23 ILE 124 3HG2 ILE 124 3.438 -11.980 5.724 950 HD11 ILE 124 3HD1 ILE 124 1.046 -11.120 7.231 951 HD12 ILE 124 1HD1 ILE 124 1.913 -10.239 8.489 952 HD13 ILE 124 2HD1 ILE 124 2.757 -11.441 7.511 953 HA PRO 125 HA PRO 125 3.094 -11.490 0.662 954 HB2 PRO 125 2HB PRO 125 0.751 -10.983 -0.738 955 HB3 PRO 125 3HB PRO 125 0.994 -12.327 0.382 956 HG2 PRO 125 2HG PRO 125 -0.320 -9.687 0.843 957 HG3 PRO 125 3HG PRO 125 -0.798 -11.295 1.418 958 HD2 PRO 125 2HD PRO 125 0.413 -9.550 3.035 959 HD3 PRO 125 3HD PRO 125 0.771 -11.286 3.125 960 H LEU 126 HN LEU 126 1.921 -8.191 0.753 961 HA LEU 126 HA LEU 126 2.549 -7.608 -1.987 962 HB2 LEU 126 2HB LEU 126 2.004 -5.761 0.346 963 HB3 LEU 126 3HB LEU 126 2.096 -5.270 -1.334 964 HG LEU 126 HG LEU 126 0.039 -7.173 -0.215 965 HD11 LEU 126 1HD1 LEU 126 -1.536 -5.316 -0.522 966 HD12 LEU 126 2HD1 LEU 126 -0.191 -4.259 -0.947 967 HD13 LEU 126 3HD1 LEU 126 -0.294 -4.944 0.672 968 HD21 LEU 126 3HD2 LEU 126 0.579 -7.534 -2.585 969 HD22 LEU 126 1HD2 LEU 126 0.224 -5.838 -2.913 970 HD23 LEU 126 2HD2 LEU 126 -1.059 -6.916 -2.362 971 H LEU 127 HN LEU 127 4.032 -6.959 1.168 972 HA LEU 127 HA LEU 127 6.263 -5.565 0.081 973 HB2 LEU 127 2HB LEU 127 5.438 -5.355 2.433 974 HB3 LEU 127 3HB LEU 127 6.058 -6.961 2.750 975 HG LEU 127 HG LEU 127 7.479 -4.968 3.500 976 HD11 LEU 127 1HD1 LEU 127 9.578 -6.080 2.936 977 HD12 LEU 127 2HD1 LEU 127 8.732 -7.070 1.747 978 HD13 LEU 127 3HD1 LEU 127 8.352 -7.233 3.461 979 HD21 LEU 127 3HD2 LEU 127 7.279 -3.618 1.509 980 HD22 LEU 127 1HD2 LEU 127 8.028 -4.888 0.541 981 HD23 LEU 127 2HD2 LEU 127 8.968 -4.049 1.774 982 H GLU 128 HN GLU 128 5.632 -8.919 0.974 983 HA GLU 128 HA GLU 128 8.107 -10.077 0.733 984 HB2 GLU 128 2HB GLU 128 5.344 -10.993 0.014 985 HB3 GLU 128 3HB GLU 128 6.724 -12.021 -0.344 986 HG2 GLU 128 2HG GLU 128 6.286 -10.923 2.404 987 HG3 GLU 128 3HG GLU 128 5.460 -12.381 1.853 988 H ALA 129 HN ALA 129 5.862 -9.232 -1.894 989 HA ALA 129 HA ALA 129 7.683 -10.248 -3.877 990 HB1 ALA 129 1HB ALA 129 6.076 -9.552 -5.508 991 HB2 ALA 129 2HB ALA 129 5.178 -8.637 -4.292 992 HB3 ALA 129 3HB ALA 129 5.259 -10.399 -4.196 993 H PHE 130 HN PHE 130 7.281 -7.240 -2.243 994 HA PHE 130 HA PHE 130 8.298 -5.606 -4.366 995 HB2 PHE 130 2HB PHE 130 6.943 -4.599 -2.589 996 HB3 PHE 130 3HB PHE 130 8.132 -5.090 -1.385 997 HD1 PHE 130 2HD PHE 130 7.641 -2.959 -4.371 998 HD2 PHE 130 1HD PHE 130 9.982 -3.731 -0.901 999 HE1 PHE 130 2HE PHE 130 8.846 -0.849 -4.722 1000 HE2 PHE 130 1HE PHE 130 11.198 -1.621 -1.253 1001 HZ PHE 130 HZ PHE 130 10.633 -0.179 -3.164 1002 H MET 131 HN MET 131 9.615 -6.996 -1.373 1003 HA MET 131 HA MET 131 12.284 -6.233 -1.962 1004 HB2 MET 131 2HB MET 131 12.956 -7.661 -0.150 1005 HB3 MET 131 3HB MET 131 11.477 -6.834 0.326 1006 HG2 MET 131 2HG MET 131 10.186 -8.824 -0.128 1007 HG3 MET 131 3HG MET 131 11.631 -9.657 -0.700 1008 HE1 MET 131 3HE MET 131 11.292 -11.679 0.907 1009 HE2 MET 131 1HE MET 131 9.783 -10.956 1.461 1010 HE3 MET 131 2HE MET 131 10.970 -11.529 2.633 1011 H ALA 132 HN ALA 132 10.325 -9.110 -2.723 1012 HA ALA 132 HA ALA 132 12.252 -10.677 -3.937 1013 HB1 ALA 132 1HB ALA 132 10.407 -11.601 -5.276 1014 HB2 ALA 132 2HB ALA 132 9.372 -10.253 -4.782 1015 HB3 ALA 132 3HB ALA 132 9.950 -11.414 -3.582 1016 H LEU 133 HN LEU 133 10.488 -7.888 -5.197 1017 HA LEU 133 HA LEU 133 11.343 -8.121 -7.875 1018 HB2 LEU 133 2HB LEU 133 9.831 -6.260 -6.267 1019 HB3 LEU 133 3HB LEU 133 10.914 -5.401 -7.346 1020 HG LEU 133 HG LEU 133 9.936 -6.592 -9.268 1021 HD11 LEU 133 1HD1 LEU 133 7.921 -7.920 -9.003 1022 HD12 LEU 133 2HD1 LEU 133 8.007 -7.732 -7.250 1023 HD13 LEU 133 3HD1 LEU 133 9.259 -8.636 -8.103 1024 HD21 LEU 133 3HD2 LEU 133 7.778 -5.451 -9.247 1025 HD22 LEU 133 1HD2 LEU 133 9.060 -4.422 -8.604 1026 HD23 LEU 133 2HD2 LEU 133 7.924 -5.206 -7.505 1027 H ARG 134 HN ARG 134 12.708 -6.494 -5.054 1028 HA ARG 134 HA ARG 134 14.753 -5.203 -6.593 1029 HB2 ARG 134 2HB ARG 134 14.221 -5.475 -3.648 1030 HB3 ARG 134 3HB ARG 134 15.694 -4.729 -4.250 1031 HG2 ARG 134 2HG ARG 134 14.403 -3.037 -5.403 1032 HG3 ARG 134 3HG ARG 134 12.899 -3.811 -4.893 1033 HD2 ARG 134 2HD ARG 134 13.543 -1.841 -3.512 1034 HD3 ARG 134 3HD ARG 134 13.356 -3.332 -2.594 1035 HE ARG 134 HE ARG 134 16.017 -3.261 -3.178 1036 HH11 ARG 134 1HH1 ARG 134 13.865 -0.877 -1.740 1037 HH12 ARG 134 2HH1 ARG 134 15.062 -0.311 -0.611 1038 HH21 ARG 134 1HH2 ARG 134 17.575 -2.477 -1.732 1039 HH22 ARG 134 2HH2 ARG 134 17.173 -1.206 -0.621 1040 H ALA 135 HN ALA 135 14.454 -8.283 -4.977 1041 HA ALA 135 HA ALA 135 17.355 -8.583 -4.813 1042 HB1 ALA 135 1HB ALA 135 15.181 -10.445 -3.863 1043 HB2 ALA 135 2HB ALA 135 15.999 -9.236 -2.874 1044 HB3 ALA 135 3HB ALA 135 16.907 -10.597 -3.533 1045 H ALA 136 HN ALA 136 14.564 -10.049 -6.419 1046 HA ALA 136 HA ALA 136 16.282 -11.886 -7.887 1047 HB1 ALA 136 1HB ALA 136 14.210 -12.711 -8.887 1048 HB2 ALA 136 2HB ALA 136 13.308 -11.420 -8.095 1049 HB3 ALA 136 3HB ALA 136 14.093 -12.668 -7.129 1050 H ARG 137 HN ARG 137 14.438 -8.978 -8.365 1051 HA ARG 137 HA ARG 137 14.390 -7.379 -9.952 1052 HB2 ARG 137 2HB ARG 137 16.907 -7.605 -9.676 1053 HB3 ARG 137 3HB ARG 137 16.883 -8.600 -11.125 1054 HG2 ARG 137 2HG ARG 137 17.403 -6.543 -11.986 1055 HG3 ARG 137 3HG ARG 137 15.651 -6.568 -12.183 1056 HD2 ARG 137 2HD ARG 137 17.166 -5.246 -9.931 1057 HD3 ARG 137 3HD ARG 137 16.442 -4.422 -11.307 1058 HE ARG 137 HE ARG 137 14.798 -5.933 -9.380 1059 HH11 ARG 137 1HH1 ARG 137 15.515 -2.989 -11.160 1060 HH12 ARG 137 2HH1 ARG 137 14.120 -2.135 -10.551 1061 HH21 ARG 137 1HH2 ARG 137 12.983 -4.809 -8.579 1062 HH22 ARG 137 2HH2 ARG 137 12.686 -3.167 -9.070 1063 HA PRO 138 HA PRO 138 12.168 -9.901 -12.973 1064 HB2 PRO 138 2HB PRO 138 10.789 -7.349 -13.442 1065 HB3 PRO 138 3HB PRO 138 10.133 -8.910 -12.969 1066 HG2 PRO 138 2HG PRO 138 10.238 -6.871 -11.240 1067 HG3 PRO 138 3HG PRO 138 10.510 -8.544 -10.715 1068 HD2 PRO 138 2HD PRO 138 12.515 -6.392 -11.289 1069 HD3 PRO 138 3HD PRO 138 12.467 -7.554 -9.945 1070 H ALA 139 HN ALA 139 14.128 -7.269 -13.281 1071 HA ALA 139 HA ALA 139 13.975 -7.169 -16.198 1072 HB1 ALA 139 1HB ALA 139 15.456 -5.225 -16.036 1073 HB2 ALA 139 2HB ALA 139 15.548 -5.439 -14.288 1074 HB3 ALA 139 3HB ALA 139 14.012 -5.018 -15.043 1075 H ASP 140 HN ASP 140 14.799 -9.396 -16.223 1076 HA ASP 140 HA ASP 140 17.567 -9.462 -16.829 1077 HB2 ASP 140 2HB ASP 140 17.836 -9.638 -14.402 1078 HB3 ASP 140 3HB ASP 140 16.697 -10.983 -14.356 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -29.280 -9.837 0.744 2 H2 GLY 1 2H GLY 1 -28.118 -8.951 -0.111 3 H3 GLY 1 3H GLY 1 -27.647 -9.912 1.204 4 HA2 GLY 1 3HA GLY 1 -28.754 -10.883 -1.373 5 HA3 GLY 1 2HA GLY 1 -27.072 -10.985 -0.869 6 HA PRO 2 HA PRO 2 -29.903 -14.302 1.400 7 HB2 PRO 2 2HB PRO 2 -31.076 -15.340 -1.098 8 HB3 PRO 2 3HB PRO 2 -31.849 -15.041 0.460 9 HG2 PRO 2 2HG PRO 2 -32.328 -13.485 -1.675 10 HG3 PRO 2 3HG PRO 2 -32.277 -12.826 -0.029 11 HD2 PRO 2 2HD PRO 2 -30.201 -12.714 -2.181 12 HD3 PRO 2 3HD PRO 2 -30.694 -11.459 -1.025 13 H LEU 3 HN LEU 3 -28.601 -14.475 -1.871 14 HA LEU 3 HA LEU 3 -27.157 -16.930 -1.162 15 HB2 LEU 3 2HB LEU 3 -26.802 -17.302 -3.514 16 HB3 LEU 3 3HB LEU 3 -28.508 -17.029 -3.233 17 HG LEU 3 HG LEU 3 -26.678 -14.846 -4.231 18 HD11 LEU 3 1HD1 LEU 3 -26.593 -16.754 -5.775 19 HD12 LEU 3 2HD1 LEU 3 -28.355 -16.750 -5.863 20 HD13 LEU 3 3HD1 LEU 3 -27.437 -15.374 -6.479 21 HD21 LEU 3 3HD2 LEU 3 -28.827 -14.133 -3.281 22 HD22 LEU 3 1HD2 LEU 3 -28.767 -13.857 -5.021 23 HD23 LEU 3 2HD2 LEU 3 -29.672 -15.227 -4.376 24 H GLY 4 HN GLY 4 -24.880 -17.036 -2.023 25 HA2 GLY 4 2HA GLY 4 -23.530 -14.708 -0.974 26 HA3 GLY 4 3HA GLY 4 -22.790 -16.228 -1.445 27 H SER 5 HN SER 5 -24.376 -13.381 -2.885 28 HA SER 5 HA SER 5 -22.835 -13.627 -5.315 29 HB2 SER 5 2HB SER 5 -25.156 -12.612 -5.196 30 HB3 SER 5 3HB SER 5 -24.437 -11.236 -4.361 31 HG SER 5 HG SER 5 -23.980 -12.129 -7.014 32 H MET 6 HN MET 6 -20.749 -13.047 -5.419 33 HA MET 6 HA MET 6 -19.590 -11.765 -3.126 34 HB2 MET 6 2HB MET 6 -17.457 -12.311 -4.054 35 HB3 MET 6 3HB MET 6 -18.514 -13.695 -4.276 36 HG2 MET 6 2HG MET 6 -18.847 -13.063 -6.611 37 HG3 MET 6 3HG MET 6 -17.792 -11.668 -6.379 38 HE1 MET 6 3HE MET 6 -17.355 -15.280 -4.862 39 HE2 MET 6 1HE MET 6 -18.010 -15.592 -6.469 40 HE3 MET 6 2HE MET 6 -16.350 -16.050 -6.093 41 H LYS 7 HN LYS 7 -19.165 -9.731 -2.861 42 HA LYS 7 HA LYS 7 -19.090 -7.945 -5.191 43 HB2 LYS 7 2HB LYS 7 -19.790 -7.603 -2.324 44 HB3 LYS 7 3HB LYS 7 -18.951 -6.261 -3.088 45 HG2 LYS 7 2HG LYS 7 -21.479 -7.504 -4.151 46 HG3 LYS 7 3HG LYS 7 -21.418 -6.060 -3.134 47 HD2 LYS 7 2HD LYS 7 -20.067 -4.918 -4.811 48 HD3 LYS 7 3HD LYS 7 -20.073 -6.365 -5.820 49 HE2 LYS 7 2HE LYS 7 -22.502 -4.763 -5.023 50 HE3 LYS 7 3HE LYS 7 -21.696 -4.692 -6.588 51 HZ1 LYS 7 3HZ LYS 7 -23.248 -6.921 -5.422 52 HZ2 LYS 7 1HZ LYS 7 -22.153 -7.180 -6.695 53 HZ3 LYS 7 2HZ LYS 7 -23.470 -6.134 -6.905 54 H MET 8 HN MET 8 -17.258 -6.723 -5.623 55 HA MET 8 HA MET 8 -14.878 -7.715 -4.245 56 HB2 MET 8 2HB MET 8 -15.259 -6.564 -6.996 57 HB3 MET 8 3HB MET 8 -13.668 -6.770 -6.275 58 HG2 MET 8 2HG MET 8 -14.076 -9.163 -6.046 59 HG3 MET 8 3HG MET 8 -15.672 -8.961 -6.762 60 HE1 MET 8 3HE MET 8 -11.796 -8.668 -7.372 61 HE2 MET 8 1HE MET 8 -11.749 -8.140 -9.054 62 HE3 MET 8 2HE MET 8 -12.398 -7.071 -7.811 63 H ILE 9 HN ILE 9 -13.494 -6.484 -3.267 64 HA ILE 9 HA ILE 9 -14.067 -3.602 -3.050 65 HB ILE 9 HB ILE 9 -12.778 -5.499 -1.090 66 HG12 ILE 9 2HG1 ILE 9 -15.454 -4.098 -1.040 67 HG13 ILE 9 3HG1 ILE 9 -15.173 -5.827 -1.214 68 HG21 ILE 9 1HG2 ILE 9 -11.902 -3.113 -1.102 69 HG22 ILE 9 2HG2 ILE 9 -13.486 -2.656 -0.475 70 HG23 ILE 9 3HG2 ILE 9 -12.460 -3.775 0.438 71 HD11 ILE 9 3HD1 ILE 9 -14.184 -5.845 1.057 72 HD12 ILE 9 1HD1 ILE 9 -14.618 -4.142 1.214 73 HD13 ILE 9 2HD1 ILE 9 -15.881 -5.358 1.026 74 H GLU 10 HN GLU 10 -12.581 -2.374 -4.022 75 HA GLU 10 HA GLU 10 -9.974 -3.573 -4.591 76 HB2 GLU 10 2HB GLU 10 -11.279 -1.105 -5.767 77 HB3 GLU 10 3HB GLU 10 -9.687 -1.709 -6.203 78 HG2 GLU 10 2HG GLU 10 -11.092 -2.463 -7.901 79 HG3 GLU 10 3HG GLU 10 -10.860 -3.866 -6.860 80 H VAL 11 HN VAL 11 -8.251 -2.965 -3.480 81 HA VAL 11 HA VAL 11 -8.319 -0.377 -2.090 82 HB VAL 11 HB VAL 11 -7.207 -2.971 -0.990 83 HG11 VAL 11 1HG1 VAL 11 -7.240 -0.211 0.223 84 HG12 VAL 11 2HG1 VAL 11 -6.715 -1.686 1.037 85 HG13 VAL 11 3HG1 VAL 11 -5.817 -1.078 -0.354 86 HG21 VAL 11 3HG2 VAL 11 -9.539 -1.298 -0.066 87 HG22 VAL 11 1HG2 VAL 11 -9.640 -2.871 -0.854 88 HG23 VAL 11 2HG2 VAL 11 -8.916 -2.730 0.747 89 H VAL 12 HN VAL 12 -6.597 0.859 -2.495 90 HA VAL 12 HA VAL 12 -4.375 -0.402 -3.943 91 HB VAL 12 HB VAL 12 -3.846 1.980 -4.674 92 HG11 VAL 12 1HG1 VAL 12 -4.812 0.338 -6.176 93 HG12 VAL 12 2HG1 VAL 12 -6.426 0.691 -5.558 94 HG13 VAL 12 3HG1 VAL 12 -5.539 1.919 -6.463 95 HG21 VAL 12 3HG2 VAL 12 -5.170 3.194 -3.049 96 HG22 VAL 12 1HG2 VAL 12 -5.771 3.538 -4.672 97 HG23 VAL 12 2HG2 VAL 12 -6.643 2.416 -3.628 98 H ALA 13 HN ALA 13 -2.348 -0.252 -3.225 99 HA ALA 13 HA ALA 13 -1.948 1.138 -0.660 100 HB1 ALA 13 1HB ALA 13 -1.923 -1.347 -0.516 101 HB2 ALA 13 2HB ALA 13 -0.555 -1.358 -1.631 102 HB3 ALA 13 3HB ALA 13 -0.391 -0.602 -0.044 103 H ALA 14 HN ALA 14 -0.373 2.616 -0.593 104 HA ALA 14 HA ALA 14 1.302 2.921 -2.986 105 HB1 ALA 14 1HB ALA 14 0.026 4.897 -2.500 106 HB2 ALA 14 2HB ALA 14 0.540 4.872 -0.813 107 HB3 ALA 14 3HB ALA 14 1.706 5.228 -2.086 108 H ILE 15 HN ILE 15 3.236 2.013 -2.803 109 HA ILE 15 HA ILE 15 4.503 1.883 -0.174 110 HB ILE 15 HB ILE 15 5.219 0.567 -2.799 111 HG12 ILE 15 2HG1 ILE 15 3.996 -0.379 -0.216 112 HG13 ILE 15 3HG1 ILE 15 3.388 -0.580 -1.855 113 HG21 ILE 15 1HG2 ILE 15 6.611 0.304 -0.140 114 HG22 ILE 15 2HG2 ILE 15 7.013 -0.566 -1.619 115 HG23 ILE 15 3HG2 ILE 15 7.237 1.183 -1.535 116 HD11 ILE 15 3HD1 ILE 15 4.221 -2.668 -0.896 117 HD12 ILE 15 1HD1 ILE 15 5.137 -2.192 -2.333 118 HD13 ILE 15 2HD1 ILE 15 5.821 -1.934 -0.712 119 H ILE 16 HN ILE 16 5.362 3.826 0.246 120 HA ILE 16 HA ILE 16 6.784 5.264 -1.842 121 HB ILE 16 HB ILE 16 6.269 6.068 1.027 122 HG12 ILE 16 2HG1 ILE 16 4.722 6.692 -1.490 123 HG13 ILE 16 3HG1 ILE 16 4.166 5.692 -0.156 124 HG21 ILE 16 1HG2 ILE 16 6.679 8.356 0.181 125 HG22 ILE 16 2HG2 ILE 16 8.095 7.311 0.041 126 HG23 ILE 16 3HG2 ILE 16 7.120 7.669 -1.384 127 HD11 ILE 16 3HD1 ILE 16 4.236 7.653 1.311 128 HD12 ILE 16 1HD1 ILE 16 4.725 8.642 -0.065 129 HD13 ILE 16 2HD1 ILE 16 3.143 7.864 -0.056 130 H GLU 17 HN GLU 17 8.785 4.593 -2.164 131 HA GLU 17 HA GLU 17 10.381 3.754 0.156 132 HB2 GLU 17 2HB GLU 17 10.014 1.911 -1.353 133 HB3 GLU 17 3HB GLU 17 10.504 2.884 -2.733 134 HG2 GLU 17 2HG GLU 17 12.760 3.076 -1.477 135 HG3 GLU 17 3HG GLU 17 12.181 1.665 -0.588 136 H ARG 18 HN ARG 18 12.019 5.007 0.664 137 HA ARG 18 HA ARG 18 13.406 6.479 -1.452 138 HB2 ARG 18 2HB ARG 18 11.617 7.871 -0.113 139 HB3 ARG 18 3HB ARG 18 12.846 7.872 1.143 140 HG2 ARG 18 2HG ARG 18 13.260 9.843 0.018 141 HG3 ARG 18 3HG ARG 18 14.422 8.730 -0.705 142 HD2 ARG 18 2HD ARG 18 11.755 9.542 -1.866 143 HD3 ARG 18 3HD ARG 18 13.338 10.075 -2.420 144 HE ARG 18 HE ARG 18 13.278 7.283 -2.544 145 HH11 ARG 18 2HH1 ARG 18 11.757 10.027 -4.085 146 HH12 ARG 18 1HH1 ARG 18 11.445 9.186 -5.573 147 HH21 ARG 18 2HH2 ARG 18 12.872 6.157 -4.496 148 HH22 ARG 18 1HH2 ARG 18 12.098 6.996 -5.808 149 H ASP 19 HN ASP 19 15.534 6.304 -1.257 150 HA ASP 19 HA ASP 19 17.613 5.903 -0.442 151 HB2 ASP 19 2HB ASP 19 16.298 6.416 2.241 152 HB3 ASP 19 3HB ASP 19 18.024 6.133 2.028 153 H GLY 20 HN GLY 20 15.374 3.777 -0.589 154 HA2 GLY 20 2HA GLY 20 15.663 1.461 -0.543 155 HA3 GLY 20 3HA GLY 20 17.004 1.666 0.576 156 H LYS 21 HN LYS 21 14.348 3.531 1.458 157 HA LYS 21 HA LYS 21 13.490 1.500 3.410 158 HB2 LYS 21 2HB LYS 21 13.451 4.475 3.862 159 HB3 LYS 21 3HB LYS 21 13.314 3.196 5.055 160 HG2 LYS 21 2HG LYS 21 15.801 3.343 3.451 161 HG3 LYS 21 3HG LYS 21 15.551 4.550 4.708 162 HD2 LYS 21 2HD LYS 21 15.363 2.874 6.374 163 HD3 LYS 21 3HD LYS 21 15.309 1.586 5.170 164 HE2 LYS 21 2HE LYS 21 17.497 1.556 6.063 165 HE3 LYS 21 3HE LYS 21 17.630 2.326 4.484 166 HZ1 LYS 21 3HZ LYS 21 17.563 4.498 5.642 167 HZ2 LYS 21 1HZ LYS 21 18.911 3.555 6.060 168 HZ3 LYS 21 2HZ LYS 21 17.597 3.680 7.123 169 H ILE 22 HN ILE 22 11.307 1.329 3.793 170 HA ILE 22 HA ILE 22 9.562 2.688 1.858 171 HB ILE 22 HB ILE 22 8.976 0.214 3.493 172 HG12 ILE 22 2HG1 ILE 22 9.840 0.418 0.603 173 HG13 ILE 22 3HG1 ILE 22 10.848 -0.157 1.928 174 HG21 ILE 22 1HG2 ILE 22 6.934 1.215 2.845 175 HG22 ILE 22 2HG2 ILE 22 7.543 1.576 1.229 176 HG23 ILE 22 3HG2 ILE 22 7.214 -0.097 1.690 177 HD11 ILE 22 3HD1 ILE 22 9.946 -2.007 0.657 178 HD12 ILE 22 1HD1 ILE 22 9.297 -2.005 2.297 179 HD13 ILE 22 2HD1 ILE 22 8.305 -1.431 0.954 180 H LEU 23 HN LEU 23 7.818 3.845 2.519 181 HA LEU 23 HA LEU 23 7.824 4.799 5.218 182 HB2 LEU 23 2HB LEU 23 7.353 6.236 3.265 183 HB3 LEU 23 3HB LEU 23 5.884 5.327 2.966 184 HG LEU 23 HG LEU 23 5.000 6.082 5.156 185 HD11 LEU 23 1HD1 LEU 23 6.145 7.922 6.306 186 HD12 LEU 23 2HD1 LEU 23 7.087 6.432 6.325 187 HD13 LEU 23 3HD1 LEU 23 7.517 7.735 5.216 188 HD21 LEU 23 3HD2 LEU 23 4.635 8.432 4.500 189 HD22 LEU 23 1HD2 LEU 23 5.878 8.257 3.259 190 HD23 LEU 23 2HD2 LEU 23 4.396 7.307 3.163 191 H LEU 24 HN LEU 24 6.928 3.783 6.808 192 HA LEU 24 HA LEU 24 4.378 2.365 6.363 193 HB2 LEU 24 2HB LEU 24 6.573 1.789 8.332 194 HB3 LEU 24 3HB LEU 24 4.948 1.171 8.549 195 HG LEU 24 HG LEU 24 6.729 0.603 6.202 196 HD11 LEU 24 1HD1 LEU 24 5.914 -1.148 8.504 197 HD12 LEU 24 2HD1 LEU 24 6.844 -1.664 7.097 198 HD13 LEU 24 3HD1 LEU 24 7.522 -0.484 8.219 199 HD21 LEU 24 3HD2 LEU 24 5.026 -1.019 5.545 200 HD22 LEU 24 1HD2 LEU 24 4.013 -0.488 6.889 201 HD23 LEU 24 2HD2 LEU 24 4.384 0.625 5.573 202 H ALA 25 HN ALA 25 2.653 3.009 7.440 203 HA ALA 25 HA ALA 25 3.056 5.156 9.414 204 HB1 ALA 25 1HB ALA 25 0.741 4.841 7.516 205 HB2 ALA 25 2HB ALA 25 1.034 6.191 8.619 206 HB3 ALA 25 3HB ALA 25 2.125 5.907 7.261 207 H GLN 26 HN GLN 26 2.330 4.823 11.359 208 HA GLN 26 HA GLN 26 1.027 2.392 12.088 209 HB2 GLN 26 2HB GLN 26 2.652 3.377 13.572 210 HB3 GLN 26 3HB GLN 26 1.716 4.861 13.682 211 HG2 GLN 26 2HG GLN 26 -0.085 3.616 14.799 212 HG3 GLN 26 3HG GLN 26 0.906 2.159 14.728 213 HE21 GLN 26 1HE2 GLN 26 2.326 5.278 15.273 214 HE22 GLN 26 2HE2 GLN 26 2.723 5.046 16.941 215 H ARG 27 HN ARG 27 -1.027 2.032 11.756 216 HA ARG 27 HA ARG 27 -3.191 3.051 13.015 217 HB2 ARG 27 2HB ARG 27 -2.527 5.224 11.768 218 HB3 ARG 27 3HB ARG 27 -3.079 4.418 10.314 219 HG2 ARG 27 2HG ARG 27 -4.831 4.893 12.714 220 HG3 ARG 27 3HG ARG 27 -4.688 6.021 11.372 221 HD2 ARG 27 2HD ARG 27 -5.909 3.289 11.429 222 HD3 ARG 27 3HD ARG 27 -6.609 4.806 10.877 223 HE ARG 27 HE ARG 27 -4.671 3.143 9.401 224 HH11 ARG 27 2HH1 ARG 27 -6.955 5.809 9.430 225 HH12 ARG 27 1HH1 ARG 27 -7.080 5.892 7.698 226 HH21 ARG 27 2HH2 ARG 27 -4.838 3.224 7.133 227 HH22 ARG 27 1HH2 ARG 27 -5.851 4.438 6.395 228 HA PRO 28 HA PRO 28 -4.099 -0.381 10.134 229 HB2 PRO 28 2HB PRO 28 -5.289 -2.032 11.823 230 HB3 PRO 28 3HB PRO 28 -3.543 -1.762 11.944 231 HG2 PRO 28 2HG PRO 28 -5.763 -0.546 13.539 232 HG3 PRO 28 3HG PRO 28 -4.240 -1.246 14.106 233 HD2 PRO 28 2HD PRO 28 -4.644 1.454 13.730 234 HD3 PRO 28 3HD PRO 28 -3.050 0.675 13.662 235 H ALA 29 HN ALA 29 -6.569 -1.752 10.684 236 HA ALA 29 HA ALA 29 -8.573 0.361 10.510 237 HB1 ALA 29 1HB ALA 29 -9.432 -0.402 8.373 238 HB2 ALA 29 2HB ALA 29 -7.746 0.092 8.226 239 HB3 ALA 29 3HB ALA 29 -8.161 -1.620 8.278 240 H GLN 30 HN GLN 30 -8.243 -3.129 9.883 241 HA GLN 30 HA GLN 30 -10.858 -3.540 11.107 242 HB2 GLN 30 2HB GLN 30 -9.066 -5.530 9.706 243 HB3 GLN 30 3HB GLN 30 -10.738 -5.793 10.189 244 HG2 GLN 30 2HG GLN 30 -11.340 -3.861 8.680 245 HG3 GLN 30 3HG GLN 30 -9.691 -3.952 8.063 246 HE21 GLN 30 1HE2 GLN 30 -12.786 -5.495 8.227 247 HE22 GLN 30 2HE2 GLN 30 -12.493 -6.667 6.982 248 H SER 31 HN SER 31 -8.247 -2.954 12.513 249 HA SER 31 HA SER 31 -8.549 -4.981 14.583 250 HB2 SER 31 2HB SER 31 -6.591 -5.446 12.874 251 HB3 SER 31 3HB SER 31 -5.781 -4.173 13.778 252 HG SER 31 HG SER 31 -6.778 -6.640 14.761 253 H ASP 32 HN ASP 32 -8.772 -3.903 16.451 254 HA ASP 32 HA ASP 32 -7.757 -1.171 16.609 255 HB2 ASP 32 2HB ASP 32 -10.095 -1.679 17.389 256 HB3 ASP 32 3HB ASP 32 -9.388 -2.643 18.686 257 H GLN 33 HN GLN 33 -5.585 -2.033 16.526 258 HA GLN 33 HA GLN 33 -4.593 -2.615 19.215 259 HB2 GLN 33 2HB GLN 33 -3.629 -4.067 16.737 260 HB3 GLN 33 3HB GLN 33 -3.043 -4.296 18.378 261 HG2 GLN 33 2HG GLN 33 -5.355 -5.061 18.994 262 HG3 GLN 33 3HG GLN 33 -5.740 -5.028 17.274 263 HE21 GLN 33 1HE2 GLN 33 -4.817 -6.527 15.903 264 HE22 GLN 33 2HE2 GLN 33 -4.021 -7.959 16.483 265 H ALA 34 HN ALA 34 -2.871 -1.402 19.720 266 HA ALA 34 HA ALA 34 -2.002 0.532 17.737 267 HB1 ALA 34 1HB ALA 34 -1.357 0.330 20.678 268 HB2 ALA 34 2HB ALA 34 -0.948 1.677 19.614 269 HB3 ALA 34 3HB ALA 34 -2.637 1.311 19.964 270 H GLY 35 HN GLY 35 0.087 0.784 17.025 271 HA2 GLY 35 2HA GLY 35 2.454 0.357 17.379 272 HA3 GLY 35 3HA GLY 35 2.028 -1.260 17.894 273 H LEU 36 HN LEU 36 0.036 -1.412 15.637 274 HA LEU 36 HA LEU 36 1.789 -2.588 13.760 275 HB2 LEU 36 2HB LEU 36 -1.175 -2.115 13.865 276 HB3 LEU 36 3HB LEU 36 -0.416 -2.848 12.469 277 HG LEU 36 HG LEU 36 0.249 -4.774 13.738 278 HD11 LEU 36 1HD1 LEU 36 0.837 -3.646 15.854 279 HD12 LEU 36 2HD1 LEU 36 -0.880 -3.421 16.190 280 HD13 LEU 36 3HD1 LEU 36 -0.204 -5.049 16.105 281 HD21 LEU 36 3HD2 LEU 36 -2.557 -3.969 14.443 282 HD22 LEU 36 1HD2 LEU 36 -2.042 -4.728 12.935 283 HD23 LEU 36 2HD2 LEU 36 -1.922 -5.612 14.457 284 H TRP 37 HN TRP 37 2.162 -2.076 11.619 285 HA TRP 37 HA TRP 37 1.544 0.697 10.824 286 HB2 TRP 37 2HB TRP 37 4.008 -0.835 9.954 287 HB3 TRP 37 3HB TRP 37 3.670 0.877 9.743 288 HD1 TRP 37 1HD TRP 37 4.606 -1.631 12.522 289 HE1 TRP 37 1HE TRP 37 5.775 -0.338 14.413 290 HE3 TRP 37 3HE TRP 37 4.010 3.129 10.752 291 HZ2 TRP 37 2HZ TRP 37 6.373 2.339 15.069 292 HZ3 TRP 37 3HZ TRP 37 4.914 5.000 12.070 293 HH2 TRP 37 2HH TRP 37 6.071 4.611 14.185 294 H GLU 38 HN GLU 38 1.281 1.012 8.511 295 HA GLU 38 HA GLU 38 0.989 -1.375 6.865 296 HB2 GLU 38 2HB GLU 38 -1.282 -0.700 6.140 297 HB3 GLU 38 3HB GLU 38 -1.234 -1.107 7.849 298 HG2 GLU 38 2HG GLU 38 -1.241 1.226 8.452 299 HG3 GLU 38 3HG GLU 38 -1.135 1.697 6.758 300 H PHE 39 HN PHE 39 0.433 -0.696 4.556 301 HA PHE 39 HA PHE 39 2.062 1.582 3.811 302 HB2 PHE 39 2HB PHE 39 0.397 -0.286 2.099 303 HB3 PHE 39 3HB PHE 39 1.494 0.942 1.481 304 HD1 PHE 39 1HD PHE 39 3.965 0.728 2.392 305 HD2 PHE 39 2HD PHE 39 1.111 -2.408 2.241 306 HE1 PHE 39 1HE PHE 39 5.777 -0.914 2.418 307 HE2 PHE 39 2HE PHE 39 2.911 -4.056 2.271 308 HZ PHE 39 HZ PHE 39 5.265 -3.324 2.360 309 H ALA 40 HN ALA 40 1.303 3.467 2.802 310 HA ALA 40 HA ALA 40 -1.235 4.361 3.772 311 HB1 ALA 40 1HB ALA 40 -0.639 6.495 2.751 312 HB2 ALA 40 2HB ALA 40 0.710 5.842 3.681 313 HB3 ALA 40 3HB ALA 40 0.715 5.726 1.922 314 H GLY 41 HN GLY 41 -2.898 5.383 2.355 315 HA2 GLY 41 2HA GLY 41 -3.489 5.409 -0.151 316 HA3 GLY 41 3HA GLY 41 -3.288 3.668 -0.007 317 H GLY 42 HN GLY 42 -5.300 2.864 -0.212 318 HA2 GLY 42 2HA GLY 42 -7.178 2.759 1.713 319 HA3 GLY 42 3HA GLY 42 -7.561 4.283 0.930 320 H LYS 43 HN LYS 43 -9.610 2.954 0.692 321 HA LYS 43 HA LYS 43 -9.632 0.925 -1.339 322 HB2 LYS 43 2HB LYS 43 -11.265 0.892 0.493 323 HB3 LYS 43 3HB LYS 43 -11.903 2.444 -0.028 324 HG2 LYS 43 2HG LYS 43 -12.551 1.382 -2.186 325 HG3 LYS 43 3HG LYS 43 -12.049 -0.169 -1.515 326 HD2 LYS 43 2HD LYS 43 -13.709 -0.003 0.224 327 HD3 LYS 43 3HD LYS 43 -14.151 1.622 -0.306 328 HE2 LYS 43 2HE LYS 43 -14.484 -0.933 -1.875 329 HE3 LYS 43 3HE LYS 43 -15.771 -0.001 -1.112 330 HZ1 LYS 43 3HZ LYS 43 -15.108 1.878 -2.590 331 HZ2 LYS 43 1HZ LYS 43 -15.744 0.534 -3.406 332 HZ3 LYS 43 2HZ LYS 43 -14.078 0.812 -3.411 333 H VAL 44 HN VAL 44 -10.770 1.072 -3.344 334 HA VAL 44 HA VAL 44 -10.657 3.758 -4.549 335 HB VAL 44 HB VAL 44 -10.628 1.060 -5.924 336 HG11 VAL 44 1HG1 VAL 44 -10.218 3.836 -7.022 337 HG12 VAL 44 2HG1 VAL 44 -10.001 2.337 -7.925 338 HG13 VAL 44 3HG1 VAL 44 -11.597 2.777 -7.321 339 HG21 VAL 44 3HG2 VAL 44 -8.272 1.536 -6.416 340 HG22 VAL 44 1HG2 VAL 44 -8.369 2.986 -5.416 341 HG23 VAL 44 2HG2 VAL 44 -8.576 1.395 -4.683 342 H GLU 45 HN GLU 45 -12.541 4.669 -5.125 343 HA GLU 45 HA GLU 45 -14.956 3.033 -5.089 344 HB2 GLU 45 2HB GLU 45 -14.613 6.012 -5.524 345 HB3 GLU 45 3HB GLU 45 -16.147 5.175 -5.341 346 HG2 GLU 45 2HG GLU 45 -14.002 5.531 -3.272 347 HG3 GLU 45 3HG GLU 45 -15.625 6.221 -3.274 348 HA PRO 46 HA PRO 46 -15.122 2.607 -9.515 349 HB2 PRO 46 2HB PRO 46 -17.810 2.672 -9.957 350 HB3 PRO 46 3HB PRO 46 -16.974 1.278 -9.266 351 HG2 PRO 46 2HG PRO 46 -18.522 3.435 -7.884 352 HG3 PRO 46 3HG PRO 46 -18.526 1.686 -7.589 353 HD2 PRO 46 2HD PRO 46 -17.141 3.410 -6.035 354 HD3 PRO 46 3HD PRO 46 -16.575 1.759 -6.358 355 H ASP 47 HN ASP 47 -15.437 5.398 -8.050 356 HA ASP 47 HA ASP 47 -16.498 6.928 -10.314 357 HB2 ASP 47 2HB ASP 47 -17.574 7.383 -8.171 358 HB3 ASP 47 3HB ASP 47 -16.013 7.692 -7.424 359 H GLU 48 HN GLU 48 -13.663 5.871 -8.998 360 HA GLU 48 HA GLU 48 -12.114 8.076 -10.173 361 HB2 GLU 48 2HB GLU 48 -10.634 8.157 -8.263 362 HB3 GLU 48 3HB GLU 48 -12.288 8.425 -7.720 363 HG2 GLU 48 2HG GLU 48 -12.358 5.960 -7.168 364 HG3 GLU 48 3HG GLU 48 -10.616 5.951 -7.432 365 H SER 49 HN SER 49 -9.784 7.501 -10.347 366 HA SER 49 HA SER 49 -9.529 4.783 -11.322 367 HB2 SER 49 2HB SER 49 -7.577 7.085 -11.481 368 HB3 SER 49 3HB SER 49 -7.487 5.568 -12.370 369 HG SER 49 HG SER 49 -9.800 6.369 -13.005 370 H GLN 50 HN GLN 50 -7.501 3.571 -10.797 371 HA GLN 50 HA GLN 50 -7.419 3.329 -7.964 372 HB2 GLN 50 2HB GLN 50 -5.744 1.937 -10.050 373 HB3 GLN 50 3HB GLN 50 -5.910 1.446 -8.366 374 HG2 GLN 50 2HG GLN 50 -8.380 1.230 -8.782 375 HG3 GLN 50 3HG GLN 50 -8.033 1.456 -10.493 376 HE21 GLN 50 1HE2 GLN 50 -9.221 -0.804 -9.123 377 HE22 GLN 50 2HE2 GLN 50 -8.219 -2.168 -9.507 378 H ARG 51 HN ARG 51 -5.021 4.426 -10.372 379 HA ARG 51 HA ARG 51 -3.020 5.006 -8.412 380 HB2 ARG 51 2HB ARG 51 -3.377 6.289 -11.128 381 HB3 ARG 51 3HB ARG 51 -1.934 6.339 -10.135 382 HG2 ARG 51 2HG ARG 51 -1.770 3.858 -10.371 383 HG3 ARG 51 3HG ARG 51 -3.091 3.951 -11.541 384 HD2 ARG 51 2HD ARG 51 -1.757 5.522 -12.886 385 HD3 ARG 51 3HD ARG 51 -0.430 5.354 -11.742 386 HE ARG 51 HE ARG 51 -1.284 2.836 -12.806 387 HH11 ARG 51 2HH1 ARG 51 0.717 5.651 -13.389 388 HH12 ARG 51 1HH1 ARG 51 1.714 4.865 -14.568 389 HH21 ARG 51 2HH2 ARG 51 0.060 1.768 -14.328 390 HH22 ARG 51 1HH2 ARG 51 1.340 2.655 -15.100 391 H GLN 52 HN GLN 52 -5.776 6.625 -9.710 392 HA GLN 52 HA GLN 52 -5.190 9.274 -8.918 393 HB2 GLN 52 2HB GLN 52 -6.859 8.782 -10.611 394 HB3 GLN 52 3HB GLN 52 -7.801 7.848 -9.464 395 HG2 GLN 52 2HG GLN 52 -8.297 9.862 -8.206 396 HG3 GLN 52 3HG GLN 52 -7.315 10.814 -9.321 397 HE21 GLN 52 1HE2 GLN 52 -10.166 11.041 -8.678 398 HE22 GLN 52 2HE2 GLN 52 -11.006 10.851 -10.188 399 H ALA 53 HN ALA 53 -6.869 6.571 -7.423 400 HA ALA 53 HA ALA 53 -7.829 7.885 -5.142 401 HB1 ALA 53 1HB ALA 53 -7.038 4.987 -5.433 402 HB2 ALA 53 2HB ALA 53 -8.077 5.665 -4.178 403 HB3 ALA 53 3HB ALA 53 -8.605 5.676 -5.863 404 H LEU 54 HN LEU 54 -4.760 6.166 -5.723 405 HA LEU 54 HA LEU 54 -3.740 6.460 -3.116 406 HB2 LEU 54 2HB LEU 54 -2.411 6.111 -5.790 407 HB3 LEU 54 3HB LEU 54 -1.488 6.250 -4.306 408 HG LEU 54 HG LEU 54 -3.495 4.092 -4.953 409 HD11 LEU 54 1HD1 LEU 54 -1.425 3.844 -6.192 410 HD12 LEU 54 2HD1 LEU 54 -0.491 4.031 -4.708 411 HD13 LEU 54 3HD1 LEU 54 -1.529 2.623 -4.924 412 HD21 LEU 54 3HD2 LEU 54 -2.701 3.075 -2.846 413 HD22 LEU 54 1HD2 LEU 54 -1.795 4.547 -2.509 414 HD23 LEU 54 2HD2 LEU 54 -3.552 4.598 -2.596 415 H VAL 55 HN VAL 55 -3.376 8.440 -6.020 416 HA VAL 55 HA VAL 55 -1.563 10.290 -4.957 417 HB VAL 55 HB VAL 55 -3.565 10.564 -7.198 418 HG11 VAL 55 1HG1 VAL 55 -2.308 12.569 -7.887 419 HG12 VAL 55 2HG1 VAL 55 -3.097 12.790 -6.325 420 HG13 VAL 55 3HG1 VAL 55 -1.364 12.473 -6.399 421 HG21 VAL 55 3HG2 VAL 55 -1.789 8.940 -7.567 422 HG22 VAL 55 1HG2 VAL 55 -1.577 10.344 -8.614 423 HG23 VAL 55 2HG2 VAL 55 -0.575 10.158 -7.173 424 H ARG 56 HN ARG 56 -5.127 10.369 -5.087 425 HA ARG 56 HA ARG 56 -5.257 12.925 -3.852 426 HB2 ARG 56 2HB ARG 56 -7.677 12.474 -3.543 427 HB3 ARG 56 3HB ARG 56 -7.119 12.269 -5.190 428 HG2 ARG 56 2HG ARG 56 -8.365 10.412 -5.095 429 HG3 ARG 56 3HG ARG 56 -6.936 9.731 -4.321 430 HD2 ARG 56 2HD ARG 56 -7.864 9.901 -2.186 431 HD3 ARG 56 3HD ARG 56 -9.086 11.059 -2.709 432 HE ARG 56 HE ARG 56 -9.591 8.745 -4.137 433 HH11 ARG 56 2HH1 ARG 56 -9.409 9.589 -0.737 434 HH12 ARG 56 1HH1 ARG 56 -10.632 8.448 -0.267 435 HH21 ARG 56 2HH2 ARG 56 -11.201 7.260 -3.520 436 HH22 ARG 56 1HH2 ARG 56 -11.642 7.124 -1.841 437 H GLU 57 HN GLU 57 -5.511 9.621 -2.559 438 HA GLU 57 HA GLU 57 -6.107 10.366 0.071 439 HB2 GLU 57 2HB GLU 57 -4.750 7.942 -1.073 440 HB3 GLU 57 3HB GLU 57 -4.936 8.141 0.664 441 HG2 GLU 57 2HG GLU 57 -7.162 8.072 -1.361 442 HG3 GLU 57 3HG GLU 57 -6.707 6.768 -0.264 443 H LEU 58 HN LEU 58 -2.885 9.724 -1.369 444 HA LEU 58 HA LEU 58 -1.475 10.202 1.035 445 HB2 LEU 58 2HB LEU 58 -0.386 10.748 -1.722 446 HB3 LEU 58 3HB LEU 58 0.520 10.366 -0.277 447 HG LEU 58 HG LEU 58 -1.227 8.500 -1.861 448 HD11 LEU 58 1HD1 LEU 58 0.945 8.894 -2.844 449 HD12 LEU 58 2HD1 LEU 58 1.729 8.521 -1.308 450 HD13 LEU 58 3HD1 LEU 58 0.857 7.261 -2.181 451 HD21 LEU 58 3HD2 LEU 58 -0.578 6.763 -0.267 452 HD22 LEU 58 1HD2 LEU 58 0.228 7.980 0.724 453 HD23 LEU 58 2HD2 LEU 58 -1.521 8.037 0.506 454 H ARG 59 HN ARG 59 -2.468 12.385 -1.588 455 HA ARG 59 HA ARG 59 -1.232 14.702 -0.667 456 HB2 ARG 59 2HB ARG 59 -2.281 14.719 -2.808 457 HB3 ARG 59 3HB ARG 59 -3.840 14.292 -2.123 458 HG2 ARG 59 2HG ARG 59 -4.004 16.459 -1.055 459 HG3 ARG 59 3HG ARG 59 -2.398 16.891 -1.643 460 HD2 ARG 59 2HD ARG 59 -3.118 16.969 -3.876 461 HD3 ARG 59 3HD ARG 59 -4.611 16.108 -3.511 462 HE ARG 59 HE ARG 59 -5.269 18.155 -2.245 463 HH11 ARG 59 2HH1 ARG 59 -2.874 18.390 -4.791 464 HH12 ARG 59 1HH1 ARG 59 -3.301 20.015 -5.222 465 HH21 ARG 59 2HH2 ARG 59 -5.858 20.269 -2.817 466 HH22 ARG 59 1HH2 ARG 59 -5.006 21.090 -4.093 467 H GLU 60 HN GLU 60 -4.119 13.078 0.468 468 HA GLU 60 HA GLU 60 -4.826 15.322 2.162 469 HB2 GLU 60 2HB GLU 60 -6.133 12.606 1.926 470 HB3 GLU 60 3HB GLU 60 -6.778 13.986 2.805 471 HG2 GLU 60 2HG GLU 60 -6.621 15.192 0.517 472 HG3 GLU 60 3HG GLU 60 -6.539 13.564 -0.140 473 H GLU 61 HN GLU 61 -3.545 12.026 2.549 474 HA GLU 61 HA GLU 61 -3.497 12.450 5.422 475 HB2 GLU 61 2HB GLU 61 -2.718 10.126 5.578 476 HB3 GLU 61 3HB GLU 61 -4.259 10.290 4.774 477 HG2 GLU 61 2HG GLU 61 -3.387 9.666 2.730 478 HG3 GLU 61 3HG GLU 61 -1.739 10.103 3.193 479 H LEU 62 HN LEU 62 -1.169 12.023 2.780 480 HA LEU 62 HA LEU 62 0.980 12.192 4.771 481 HB2 LEU 62 2HB LEU 62 1.136 11.398 1.867 482 HB3 LEU 62 3HB LEU 62 2.454 11.347 3.019 483 HG LEU 62 HG LEU 62 -0.021 9.625 3.021 484 HD11 LEU 62 1HD1 LEU 62 1.573 7.814 2.693 485 HD12 LEU 62 2HD1 LEU 62 1.669 9.002 1.391 486 HD13 LEU 62 3HD1 LEU 62 2.894 8.981 2.660 487 HD21 LEU 62 3HD2 LEU 62 0.996 8.496 4.963 488 HD22 LEU 62 1HD2 LEU 62 2.228 9.759 5.025 489 HD23 LEU 62 2HD2 LEU 62 0.535 10.164 5.312 490 H GLY 63 HN GLY 63 -0.740 14.336 3.075 491 HA2 GLY 63 2HA GLY 63 -0.366 16.381 2.136 492 HA3 GLY 63 3HA GLY 63 0.983 16.450 3.252 493 H ILE 64 HN ILE 64 0.941 14.051 0.686 494 HA ILE 64 HA ILE 64 2.857 15.734 -0.775 495 HB ILE 64 HB ILE 64 4.131 13.741 -1.441 496 HG12 ILE 64 2HG1 ILE 64 2.439 12.299 0.619 497 HG13 ILE 64 3HG1 ILE 64 2.444 12.009 -1.114 498 HG21 ILE 64 1HG2 ILE 64 5.303 13.438 0.689 499 HG22 ILE 64 2HG2 ILE 64 4.933 15.129 0.353 500 HG23 ILE 64 3HG2 ILE 64 3.965 14.231 1.522 501 HD11 ILE 64 3HD1 ILE 64 4.793 11.581 0.719 502 HD12 ILE 64 1HD1 ILE 64 3.729 10.320 0.093 503 HD13 ILE 64 2HD1 ILE 64 4.743 11.250 -1.013 504 H GLU 65 HN GLU 65 2.825 15.742 -2.908 505 HA GLU 65 HA GLU 65 0.539 14.511 -4.241 506 HB2 GLU 65 2HB GLU 65 2.550 16.588 -5.147 507 HB3 GLU 65 3HB GLU 65 1.198 16.024 -6.117 508 HG2 GLU 65 2HG GLU 65 -0.377 16.935 -4.558 509 HG3 GLU 65 3HG GLU 65 0.912 17.338 -3.426 510 H ALA 66 HN ALA 66 1.103 12.412 -4.526 511 HA ALA 66 HA ALA 66 3.804 11.696 -5.275 512 HB1 ALA 66 1HB ALA 66 3.087 9.404 -4.930 513 HB2 ALA 66 2HB ALA 66 2.608 10.412 -3.565 514 HB3 ALA 66 3HB ALA 66 1.411 9.932 -4.768 515 H THR 67 HN THR 67 4.309 10.311 -7.042 516 HA THR 67 HA THR 67 2.389 10.458 -9.276 517 HB THR 67 HB THR 67 5.409 10.334 -9.503 518 HG1 THR 67 1HG THR 67 4.072 12.375 -8.749 519 HG21 THR 67 3HG2 THR 67 5.003 10.886 -11.859 520 HG22 THR 67 1HG2 THR 67 3.264 10.851 -11.571 521 HG23 THR 67 2HG2 THR 67 4.212 9.373 -11.421 522 H VAL 68 HN VAL 68 1.451 8.513 -9.303 523 HA VAL 68 HA VAL 68 2.870 6.116 -8.552 524 HB VAL 68 HB VAL 68 0.097 6.366 -9.733 525 HG11 VAL 68 1HG1 VAL 68 0.980 4.129 -9.939 526 HG12 VAL 68 2HG1 VAL 68 1.432 4.120 -8.235 527 HG13 VAL 68 3HG1 VAL 68 -0.272 4.168 -8.696 528 HG21 VAL 68 3HG2 VAL 68 0.956 6.239 -6.846 529 HG22 VAL 68 1HG2 VAL 68 0.276 7.643 -7.671 530 HG23 VAL 68 2HG2 VAL 68 -0.709 6.200 -7.431 531 H GLY 69 HN GLY 69 4.014 4.831 -9.925 532 HA2 GLY 69 2HA GLY 69 3.344 4.541 -12.667 533 HA3 GLY 69 3HA GLY 69 4.654 5.686 -12.473 534 H GLU 70 HN GLU 70 3.695 2.396 -11.437 535 HA GLU 70 HA GLU 70 5.428 0.848 -12.638 536 HB2 GLU 70 2HB GLU 70 7.402 0.470 -11.302 537 HB3 GLU 70 3HB GLU 70 7.350 2.156 -11.793 538 HG2 GLU 70 2HG GLU 70 6.549 2.782 -9.587 539 HG3 GLU 70 3HG GLU 70 6.577 1.087 -9.096 540 H TYR 71 HN TYR 71 5.417 -1.267 -11.864 541 HA TYR 71 HA TYR 71 3.237 -1.615 -9.909 542 HB2 TYR 71 2HB TYR 71 2.973 -2.288 -12.404 543 HB3 TYR 71 3HB TYR 71 3.942 -3.689 -11.960 544 HD1 TYR 71 2HD TYR 71 1.027 -1.807 -10.595 545 HD2 TYR 71 1HD TYR 71 2.743 -5.605 -11.445 546 HE1 TYR 71 2HE TYR 71 -1.005 -2.897 -9.762 547 HE2 TYR 71 1HE TYR 71 0.708 -6.713 -10.607 548 HH TYR 71 HH TYR 71 -1.192 -6.325 -9.268 549 H VAL 72 HN VAL 72 3.674 -2.624 -8.040 550 HA VAL 72 HA VAL 72 6.119 -4.216 -7.839 551 HB VAL 72 HB VAL 72 4.181 -3.349 -5.689 552 HG11 VAL 72 1HG1 VAL 72 5.881 -4.135 -4.101 553 HG12 VAL 72 2HG1 VAL 72 5.271 -5.459 -5.094 554 HG13 VAL 72 3HG1 VAL 72 6.848 -4.746 -5.442 555 HG21 VAL 72 3HG2 VAL 72 5.446 -1.496 -6.664 556 HG22 VAL 72 1HG2 VAL 72 5.962 -1.820 -5.009 557 HG23 VAL 72 2HG2 VAL 72 6.951 -2.363 -6.362 558 H ALA 73 HN ALA 73 2.877 -4.651 -6.400 559 HA ALA 73 HA ALA 73 2.517 -7.193 -7.729 560 HB1 ALA 73 1HB ALA 73 2.985 -7.177 -4.749 561 HB2 ALA 73 2HB ALA 73 2.498 -8.567 -5.721 562 HB3 ALA 73 3HB ALA 73 4.083 -7.833 -5.964 563 H SER 74 HN SER 74 0.564 -8.375 -6.695 564 HA SER 74 HA SER 74 -1.303 -6.560 -5.385 565 HB2 SER 74 2HB SER 74 -3.074 -7.548 -7.029 566 HB3 SER 74 3HB SER 74 -2.053 -6.215 -7.570 567 HG SER 74 HG SER 74 -0.792 -8.530 -8.060 568 H HIS 75 HN HIS 75 -2.895 -7.630 -4.169 569 HA HIS 75 HA HIS 75 -2.577 -10.541 -3.946 570 HB2 HIS 75 2HB HIS 75 -1.259 -9.513 -2.144 571 HB3 HIS 75 3HB HIS 75 -2.671 -8.603 -1.622 572 HD1 HIS 75 1HD HIS 75 -3.994 -9.660 0.193 573 HD2 HIS 75 2HD HIS 75 -1.707 -12.444 -1.870 574 HE1 HIS 75 1HE HIS 75 -4.299 -11.830 1.426 575 HE2 HIS 75 2HE HIS 75 -2.751 -13.449 0.273 576 H GLN 76 HN GLN 76 -4.456 -11.626 -3.808 577 HA GLN 76 HA GLN 76 -6.901 -10.068 -3.349 578 HB2 GLN 76 2HB GLN 76 -6.336 -12.594 -4.843 579 HB3 GLN 76 3HB GLN 76 -7.937 -12.346 -4.164 580 HG2 GLN 76 2HG GLN 76 -8.141 -10.264 -5.423 581 HG3 GLN 76 3HG GLN 76 -6.541 -10.536 -6.118 582 HE21 GLN 76 1HE2 GLN 76 -9.204 -10.343 -7.382 583 HE22 GLN 76 2HE2 GLN 76 -9.391 -11.801 -8.293 584 H ARG 77 HN ARG 77 -8.225 -10.518 -1.713 585 HA ARG 77 HA ARG 77 -8.045 -13.007 -0.261 586 HB2 ARG 77 2HB ARG 77 -7.674 -12.056 1.917 587 HB3 ARG 77 3HB ARG 77 -6.361 -11.522 0.880 588 HG2 ARG 77 2HG ARG 77 -7.311 -9.338 0.685 589 HG3 ARG 77 3HG ARG 77 -8.784 -9.852 1.509 590 HD2 ARG 77 2HD ARG 77 -7.392 -10.364 3.515 591 HD3 ARG 77 3HD ARG 77 -6.014 -9.655 2.680 592 HE ARG 77 HE ARG 77 -7.207 -7.534 2.714 593 HH11 ARG 77 2HH1 ARG 77 -8.417 -10.061 4.813 594 HH12 ARG 77 1HH1 ARG 77 -9.178 -8.954 5.924 595 HH21 ARG 77 2HH2 ARG 77 -8.200 -6.069 4.178 596 HH22 ARG 77 1HH2 ARG 77 -9.067 -6.684 5.552 597 H GLU 78 HN GLU 78 -9.855 -12.837 1.572 598 HA GLU 78 HA GLU 78 -12.005 -11.205 0.410 599 HB2 GLU 78 2HB GLU 78 -13.602 -12.896 0.838 600 HB3 GLU 78 3HB GLU 78 -12.247 -13.681 0.047 601 HG2 GLU 78 2HG GLU 78 -11.464 -14.492 2.223 602 HG3 GLU 78 3HG GLU 78 -12.852 -13.721 2.991 603 H VAL 79 HN VAL 79 -13.512 -10.291 1.780 604 HA VAL 79 HA VAL 79 -12.840 -10.401 4.634 605 HB VAL 79 HB VAL 79 -12.378 -8.161 4.026 606 HG11 VAL 79 1HG1 VAL 79 -14.043 -6.707 2.870 607 HG12 VAL 79 2HG1 VAL 79 -13.364 -7.982 1.861 608 HG13 VAL 79 3HG1 VAL 79 -14.988 -8.156 2.531 609 HG21 VAL 79 3HG2 VAL 79 -15.152 -8.227 5.187 610 HG22 VAL 79 1HG2 VAL 79 -13.639 -8.370 6.083 611 HG23 VAL 79 2HG2 VAL 79 -14.036 -6.863 5.256 612 H SER 80 HN SER 80 -14.170 -12.027 5.137 613 HA SER 80 HA SER 80 -16.029 -13.323 5.286 614 HB2 SER 80 2HB SER 80 -17.237 -10.639 5.981 615 HB3 SER 80 3HB SER 80 -17.831 -12.221 6.493 616 HG SER 80 HG SER 80 -15.222 -12.004 7.090 617 H GLY 81 HN GLY 81 -15.991 -13.654 2.882 618 HA2 GLY 81 2HA GLY 81 -17.500 -14.259 1.228 619 HA3 GLY 81 3HA GLY 81 -18.670 -13.139 1.897 620 H ARG 82 HN ARG 82 -16.526 -10.942 1.751 621 HA ARG 82 HA ARG 82 -17.032 -10.330 -1.078 622 HB2 ARG 82 2HB ARG 82 -16.020 -8.512 1.118 623 HB3 ARG 82 3HB ARG 82 -16.463 -8.018 -0.506 624 HG2 ARG 82 2HG ARG 82 -18.779 -8.762 -0.043 625 HG3 ARG 82 3HG ARG 82 -18.296 -9.092 1.622 626 HD2 ARG 82 2HD ARG 82 -17.627 -6.728 1.867 627 HD3 ARG 82 3HD ARG 82 -18.191 -6.422 0.226 628 HE ARG 82 HE ARG 82 -20.044 -7.426 2.281 629 HH11 ARG 82 2HH1 ARG 82 -19.114 -4.984 -0.054 630 HH12 ARG 82 1HH1 ARG 82 -20.593 -4.084 0.106 631 HH21 ARG 82 2HH2 ARG 82 -21.992 -6.242 2.487 632 HH22 ARG 82 1HH2 ARG 82 -22.226 -4.810 1.529 633 H ILE 83 HN ILE 83 -15.385 -9.927 -2.546 634 HA ILE 83 HA ILE 83 -12.785 -10.966 -1.688 635 HB ILE 83 HB ILE 83 -14.047 -10.679 -4.404 636 HG12 ILE 83 2HG1 ILE 83 -13.411 -13.106 -4.531 637 HG13 ILE 83 3HG1 ILE 83 -12.890 -13.006 -2.855 638 HG21 ILE 83 1HG2 ILE 83 -11.757 -9.871 -4.631 639 HG22 ILE 83 2HG2 ILE 83 -11.155 -11.341 -3.868 640 HG23 ILE 83 3HG2 ILE 83 -11.964 -11.429 -5.432 641 HD11 ILE 83 3HD1 ILE 83 -15.084 -13.994 -3.015 642 HD12 ILE 83 1HD1 ILE 83 -15.183 -12.430 -2.205 643 HD13 ILE 83 2HD1 ILE 83 -15.682 -12.584 -3.888 644 H ILE 84 HN ILE 84 -11.272 -9.592 -1.142 645 HA ILE 84 HA ILE 84 -11.327 -6.859 -2.159 646 HB ILE 84 HB ILE 84 -9.081 -7.464 -0.418 647 HG12 ILE 84 2HG1 ILE 84 -11.835 -8.278 0.436 648 HG13 ILE 84 3HG1 ILE 84 -10.288 -9.053 0.773 649 HG21 ILE 84 1HG2 ILE 84 -10.112 -5.233 -1.006 650 HG22 ILE 84 2HG2 ILE 84 -11.427 -5.670 0.096 651 HG23 ILE 84 3HG2 ILE 84 -9.777 -5.516 0.704 652 HD11 ILE 84 3HD1 ILE 84 -11.301 -6.481 1.971 653 HD12 ILE 84 1HD1 ILE 84 -11.180 -8.054 2.778 654 HD13 ILE 84 2HD1 ILE 84 -9.716 -7.204 2.285 655 H HIS 85 HN HIS 85 -9.835 -5.973 -3.446 656 HA HIS 85 HA HIS 85 -7.724 -7.736 -4.527 657 HB2 HIS 85 2HB HIS 85 -9.734 -7.343 -6.025 658 HB3 HIS 85 3HB HIS 85 -9.281 -5.648 -6.066 659 HD1 HIS 85 1HD HIS 85 -8.574 -5.396 -8.446 660 HD2 HIS 85 2HD HIS 85 -6.794 -8.673 -6.606 661 HE1 HIS 85 1HE HIS 85 -6.905 -6.278 -10.101 662 HE2 HIS 85 2HE HIS 85 -6.011 -8.389 -9.064 663 H LEU 86 HN LEU 86 -5.973 -6.892 -3.462 664 HA LEU 86 HA LEU 86 -5.685 -4.000 -3.262 665 HB2 LEU 86 2HB LEU 86 -4.162 -6.301 -2.074 666 HB3 LEU 86 3HB LEU 86 -3.558 -4.662 -1.985 667 HG LEU 86 HG LEU 86 -5.967 -4.215 -0.976 668 HD11 LEU 86 1HD1 LEU 86 -5.434 -7.085 -0.254 669 HD12 LEU 86 2HD1 LEU 86 -6.678 -6.053 0.452 670 HD13 LEU 86 3HD1 LEU 86 -6.759 -6.491 -1.254 671 HD21 LEU 86 3HD2 LEU 86 -3.635 -5.382 0.527 672 HD22 LEU 86 1HD2 LEU 86 -3.867 -3.684 0.100 673 HD23 LEU 86 2HD2 LEU 86 -4.958 -4.464 1.248 674 H HIS 87 HN HIS 87 -4.324 -2.786 -4.396 675 HA HIS 87 HA HIS 87 -2.358 -4.129 -6.150 676 HB2 HIS 87 2HB HIS 87 -3.825 -1.513 -6.490 677 HB3 HIS 87 3HB HIS 87 -2.374 -1.897 -7.404 678 HD1 HIS 87 1HD HIS 87 -2.581 -3.913 -9.127 679 HD2 HIS 87 2HD HIS 87 -6.148 -2.583 -7.458 680 HE1 HIS 87 1HE HIS 87 -4.391 -4.764 -10.640 681 HE2 HIS 87 2HE HIS 87 -6.502 -3.712 -9.758 682 H ALA 88 HN ALA 88 -0.341 -3.942 -5.447 683 HA ALA 88 HA ALA 88 0.377 -1.658 -3.756 684 HB1 ALA 88 1HB ALA 88 2.420 -2.918 -3.232 685 HB2 ALA 88 2HB ALA 88 0.961 -3.839 -2.865 686 HB3 ALA 88 3HB ALA 88 1.893 -4.205 -4.316 687 H TRP 89 HN TRP 89 0.983 0.046 -4.879 688 HA TRP 89 HA TRP 89 2.774 -0.337 -7.179 689 HB2 TRP 89 2HB TRP 89 0.865 1.856 -6.428 690 HB3 TRP 89 3HB TRP 89 2.230 2.205 -7.482 691 HD1 TRP 89 1HD TRP 89 2.320 0.417 -9.725 692 HE1 TRP 89 1HE TRP 89 0.349 -0.206 -11.255 693 HE3 TRP 89 3HE TRP 89 -1.546 1.629 -6.608 694 HZ2 TRP 89 2HZ TRP 89 -2.458 -0.188 -11.159 695 HZ3 TRP 89 3HZ TRP 89 -3.845 1.302 -7.416 696 HH2 TRP 89 2HH TRP 89 -4.292 0.414 -9.644 697 H HIS 90 HN HIS 90 4.659 0.881 -7.333 698 HA HIS 90 HA HIS 90 5.764 1.718 -4.749 699 HB2 HIS 90 2HB HIS 90 7.119 0.123 -6.018 700 HB3 HIS 90 3HB HIS 90 7.110 1.189 -7.413 701 HD1 HIS 90 1HD HIS 90 8.804 3.116 -7.447 702 HD2 HIS 90 2HD HIS 90 8.885 0.878 -3.943 703 HE1 HIS 90 1HE HIS 90 10.882 3.832 -6.234 704 HE2 HIS 90 2HE HIS 90 11.068 2.231 -4.300 705 H VAL 91 HN VAL 91 6.069 3.803 -4.285 706 HA VAL 91 HA VAL 91 5.387 5.777 -6.315 707 HB VAL 91 HB VAL 91 6.014 6.163 -3.378 708 HG11 VAL 91 1HG1 VAL 91 6.427 8.171 -4.733 709 HG12 VAL 91 2HG1 VAL 91 4.782 8.076 -5.361 710 HG13 VAL 91 3HG1 VAL 91 5.055 8.381 -3.646 711 HG21 VAL 91 3HG2 VAL 91 3.587 6.439 -3.112 712 HG22 VAL 91 1HG2 VAL 91 3.363 6.036 -4.814 713 HG23 VAL 91 2HG2 VAL 91 4.005 4.829 -3.701 714 HA PRO 92 HA PRO 92 9.835 6.142 -6.895 715 HB2 PRO 92 2HB PRO 92 9.733 7.113 -9.393 716 HB3 PRO 92 3HB PRO 92 9.431 5.408 -9.047 717 HG2 PRO 92 2HG PRO 92 7.483 7.603 -9.606 718 HG3 PRO 92 3HG PRO 92 7.450 5.913 -10.150 719 HD2 PRO 92 2HD PRO 92 5.997 6.914 -8.027 720 HD3 PRO 92 3HD PRO 92 6.431 5.207 -8.239 721 H ASP 93 HN ASP 93 7.356 8.573 -7.153 722 HA ASP 93 HA ASP 93 9.262 10.653 -6.433 723 HB2 ASP 93 2HB ASP 93 9.138 10.544 -8.955 724 HB3 ASP 93 3HB ASP 93 7.438 10.967 -8.817 725 H PHE 94 HN PHE 94 8.368 12.203 -5.187 726 HA PHE 94 HA PHE 94 5.487 12.567 -5.118 727 HB2 PHE 94 2HB PHE 94 5.404 12.384 -2.637 728 HB3 PHE 94 3HB PHE 94 5.782 10.854 -3.417 729 HD1 PHE 94 2HD PHE 94 8.063 9.934 -3.295 730 HD2 PHE 94 1HD PHE 94 6.952 13.458 -1.184 731 HE1 PHE 94 2HE PHE 94 10.062 9.712 -1.878 732 HE2 PHE 94 1HE PHE 94 8.948 13.243 0.234 733 HZ PHE 94 HZ PHE 94 10.506 11.368 -0.110 734 H HIS 95 HN HIS 95 4.908 14.640 -4.684 735 HA HIS 95 HA HIS 95 7.107 16.513 -4.135 736 HB2 HIS 95 2HB HIS 95 4.463 16.888 -5.543 737 HB3 HIS 95 3HB HIS 95 5.546 18.216 -5.152 738 HD1 HIS 95 1HD HIS 95 8.015 18.002 -6.293 739 HD2 HIS 95 2HD HIS 95 4.979 15.664 -7.906 740 HE1 HIS 95 1HE HIS 95 8.838 17.287 -8.559 741 HE2 HIS 95 2HE HIS 95 7.083 15.694 -9.406 742 H GLY 96 HN GLY 96 7.175 17.394 -2.186 743 HA2 GLY 96 2HA GLY 96 5.775 18.912 -0.712 744 HA3 GLY 96 3HA GLY 96 4.658 17.556 -0.642 745 H THR 97 HN THR 97 4.998 17.761 1.707 746 HA THR 97 HA THR 97 7.426 16.310 2.520 747 HB THR 97 HB THR 97 5.831 18.177 4.283 748 HG1 THR 97 1HG THR 97 7.502 18.781 2.306 749 HG21 THR 97 3HG2 THR 97 7.799 18.026 5.743 750 HG22 THR 97 1HG2 THR 97 8.565 16.923 4.602 751 HG23 THR 97 2HG2 THR 97 7.104 16.429 5.456 752 H LEU 98 HN LEU 98 7.062 14.370 3.257 753 HA LEU 98 HA LEU 98 4.389 13.388 3.408 754 HB2 LEU 98 2HB LEU 98 5.455 11.201 3.995 755 HB3 LEU 98 3HB LEU 98 5.915 11.882 2.450 756 HG LEU 98 HG LEU 98 7.672 12.263 4.855 757 HD11 LEU 98 1HD1 LEU 98 8.864 10.234 4.206 758 HD12 LEU 98 2HD1 LEU 98 7.210 9.879 4.708 759 HD13 LEU 98 3HD1 LEU 98 7.628 9.897 2.994 760 HD21 LEU 98 3HD2 LEU 98 7.939 12.444 1.887 761 HD22 LEU 98 1HD2 LEU 98 8.539 13.535 3.141 762 HD23 LEU 98 2HD2 LEU 98 9.350 12.001 2.852 763 H GLN 99 HN GLN 99 3.138 13.436 5.028 764 HA GLN 99 HA GLN 99 4.200 13.506 7.765 765 HB2 GLN 99 2HB GLN 99 2.575 15.304 8.277 766 HB3 GLN 99 3HB GLN 99 3.747 15.808 7.059 767 HG2 GLN 99 2HG GLN 99 2.012 15.153 5.332 768 HG3 GLN 99 3HG GLN 99 0.867 15.062 6.669 769 HE21 GLN 99 1HE2 GLN 99 2.858 17.133 4.731 770 HE22 GLN 99 2HE2 GLN 99 2.138 18.634 5.225 771 H ALA 100 HN ALA 100 2.269 13.203 9.359 772 HA ALA 100 HA ALA 100 0.488 11.171 8.178 773 HB1 ALA 100 1HB ALA 100 1.420 11.434 11.033 774 HB2 ALA 100 2HB ALA 100 0.306 10.207 10.424 775 HB3 ALA 100 3HB ALA 100 1.973 10.245 9.852 776 H HIS 101 HN HIS 101 -1.495 11.859 7.849 777 HA HIS 101 HA HIS 101 -2.658 13.909 9.610 778 HB2 HIS 101 2HB HIS 101 -2.518 14.082 6.989 779 HB3 HIS 101 3HB HIS 101 -3.874 12.970 7.034 780 HD1 HIS 101 1HD HIS 101 -6.160 13.884 7.713 781 HD2 HIS 101 2HD HIS 101 -3.090 16.694 7.929 782 HE1 HIS 101 1HE HIS 101 -7.291 16.119 7.948 783 HE2 HIS 101 2HE HIS 101 -5.429 17.808 7.900 784 H GLU 102 HN GLU 102 -3.571 10.985 7.804 785 HA GLU 102 HA GLU 102 -5.755 10.464 9.654 786 HB2 GLU 102 2HB GLU 102 -4.906 8.937 7.182 787 HB3 GLU 102 3HB GLU 102 -6.392 8.693 8.092 788 HG2 GLU 102 2HG GLU 102 -5.613 11.095 6.464 789 HG3 GLU 102 3HG GLU 102 -6.911 9.946 6.140 790 H HIS 103 HN HIS 103 -2.724 9.022 8.565 791 HA HIS 103 HA HIS 103 -2.834 6.911 10.520 792 HB2 HIS 103 2HB HIS 103 -0.662 7.881 8.655 793 HB3 HIS 103 3HB HIS 103 -0.396 6.601 9.825 794 HD1 HIS 103 1HD HIS 103 -1.619 7.185 6.406 795 HD2 HIS 103 2HD HIS 103 -2.038 4.245 9.334 796 HE1 HIS 103 1HE HIS 103 -2.430 5.132 5.212 797 HE2 HIS 103 2HE HIS 103 -2.761 3.385 7.001 798 H GLN 104 HN GLN 104 -1.070 6.748 12.225 799 HA GLN 104 HA GLN 104 -1.207 9.225 13.711 800 HB2 GLN 104 2HB GLN 104 -1.693 6.955 14.689 801 HB3 GLN 104 3HB GLN 104 0.029 6.619 14.595 802 HG2 GLN 104 2HG GLN 104 0.525 8.360 16.148 803 HG3 GLN 104 3HG GLN 104 -1.141 8.932 16.118 804 HE21 GLN 104 1HE2 GLN 104 1.050 6.549 17.352 805 HE22 GLN 104 2HE2 GLN 104 -0.044 5.840 18.488 806 H ALA 105 HN ALA 105 1.433 7.052 12.678 807 HA ALA 105 HA ALA 105 3.235 9.340 12.597 808 HB1 ALA 105 1HB ALA 105 3.847 6.900 14.268 809 HB2 ALA 105 2HB ALA 105 4.941 8.248 13.965 810 HB3 ALA 105 3HB ALA 105 3.462 8.504 14.890 811 H LEU 106 HN LEU 106 5.417 8.670 11.654 812 HA LEU 106 HA LEU 106 5.006 6.540 9.661 813 HB2 LEU 106 2HB LEU 106 6.665 9.050 9.355 814 HB3 LEU 106 3HB LEU 106 6.463 7.804 8.151 815 HG LEU 106 HG LEU 106 5.125 9.520 7.386 816 HD11 LEU 106 1HD1 LEU 106 3.305 7.736 8.981 817 HD12 LEU 106 2HD1 LEU 106 2.796 8.808 7.677 818 HD13 LEU 106 3HD1 LEU 106 3.889 7.466 7.339 819 HD21 LEU 106 3HD2 LEU 106 4.122 9.932 10.197 820 HD22 LEU 106 1HD2 LEU 106 5.260 10.960 9.326 821 HD23 LEU 106 2HD2 LEU 106 3.591 10.825 8.772 822 H VAL 107 HN VAL 107 6.609 5.037 9.473 823 HA VAL 107 HA VAL 107 9.243 5.719 10.613 824 HB VAL 107 HB VAL 107 8.079 4.026 12.028 825 HG11 VAL 107 1HG1 VAL 107 7.833 1.730 11.186 826 HG12 VAL 107 2HG1 VAL 107 6.790 2.867 10.331 827 HG13 VAL 107 3HG1 VAL 107 8.274 2.287 9.572 828 HG21 VAL 107 3HG2 VAL 107 10.533 3.025 10.591 829 HG22 VAL 107 1HG2 VAL 107 10.511 4.126 11.967 830 HG23 VAL 107 2HG2 VAL 107 9.956 2.463 12.159 831 H TRP 108 HN TRP 108 10.949 5.457 9.247 832 HA TRP 108 HA TRP 108 10.404 4.257 6.637 833 HB2 TRP 108 2HB TRP 108 12.717 5.969 7.581 834 HB3 TRP 108 3HB TRP 108 12.513 5.357 5.945 835 HD1 TRP 108 1HD TRP 108 10.585 6.489 4.441 836 HE1 TRP 108 1HE TRP 108 9.437 8.785 4.610 837 HE3 TRP 108 3HE TRP 108 11.887 7.713 9.235 838 HZ2 TRP 108 2HZ TRP 108 9.118 10.840 6.517 839 HZ3 TRP 108 3HZ TRP 108 11.118 9.861 10.154 840 HH2 TRP 108 2HH TRP 108 9.762 11.393 8.822 841 H CYS 109 HN CYS 109 10.901 2.170 6.474 842 HA CYS 109 HA CYS 109 13.469 1.288 7.591 843 HB2 CYS 109 2HB CYS 109 12.368 -0.875 8.251 844 HB3 CYS 109 3HB CYS 109 11.879 0.520 9.208 845 HG CYS 109 HG CYS 109 9.809 0.208 6.686 846 H SER 110 HN SER 110 14.358 -0.573 6.534 847 HA SER 110 HA SER 110 14.101 -0.453 3.710 848 HB2 SER 110 2HB SER 110 15.439 -2.679 5.253 849 HB3 SER 110 3HB SER 110 15.872 -2.034 3.670 850 HG SER 110 HG SER 110 17.205 -1.373 5.536 851 HA PRO 111 HA PRO 111 11.005 -3.445 2.641 852 HB2 PRO 111 2HB PRO 111 12.568 -5.307 1.206 853 HB3 PRO 111 3HB PRO 111 11.665 -3.946 0.543 854 HG2 PRO 111 2HG PRO 111 14.553 -4.166 1.187 855 HG3 PRO 111 3HG PRO 111 13.747 -3.224 -0.080 856 HD2 PRO 111 2HD PRO 111 14.748 -2.056 2.122 857 HD3 PRO 111 3HD PRO 111 13.251 -1.476 1.360 858 H GLU 112 HN GLU 112 14.082 -5.079 3.476 859 HA GLU 112 HA GLU 112 12.838 -7.428 4.446 860 HB2 GLU 112 2HB GLU 112 15.048 -7.892 5.506 861 HB3 GLU 112 3HB GLU 112 15.142 -7.516 3.791 862 HG2 GLU 112 2HG GLU 112 15.760 -5.189 4.400 863 HG3 GLU 112 3HG GLU 112 15.814 -5.696 6.087 864 H GLU 113 HN GLU 113 13.662 -4.388 5.949 865 HA GLU 113 HA GLU 113 13.262 -5.220 8.641 866 HB2 GLU 113 2HB GLU 113 13.197 -2.468 7.386 867 HB3 GLU 113 3HB GLU 113 13.175 -2.777 9.116 868 HG2 GLU 113 2HG GLU 113 15.392 -3.603 7.260 869 HG3 GLU 113 3HG GLU 113 15.390 -2.139 8.242 870 H ALA 114 HN ALA 114 11.220 -3.817 6.147 871 HA ALA 114 HA ALA 114 9.060 -3.003 7.715 872 HB1 ALA 114 1HB ALA 114 9.402 -2.381 5.353 873 HB2 ALA 114 2HB ALA 114 8.959 -4.021 4.880 874 HB3 ALA 114 3HB ALA 114 7.775 -2.980 5.672 875 H LEU 115 HN LEU 115 9.775 -6.155 6.301 876 HA LEU 115 HA LEU 115 7.218 -7.252 6.975 877 HB2 LEU 115 2HB LEU 115 9.290 -7.979 5.297 878 HB3 LEU 115 3HB LEU 115 9.367 -9.186 6.565 879 HG LEU 115 HG LEU 115 7.971 -9.724 4.480 880 HD11 LEU 115 1HD1 LEU 115 6.665 -9.944 7.186 881 HD12 LEU 115 2HD1 LEU 115 6.276 -10.906 5.758 882 HD13 LEU 115 3HD1 LEU 115 7.861 -11.057 6.519 883 HD21 LEU 115 3HD2 LEU 115 6.841 -7.499 4.448 884 HD22 LEU 115 1HD2 LEU 115 5.744 -8.879 4.373 885 HD23 LEU 115 2HD2 LEU 115 5.948 -7.994 5.884 886 H GLN 116 HN GLN 116 10.089 -6.655 8.726 887 HA GLN 116 HA GLN 116 9.675 -8.659 10.737 888 HB2 GLN 116 2HB GLN 116 11.366 -6.165 10.674 889 HB3 GLN 116 3HB GLN 116 11.364 -7.323 11.996 890 HG2 GLN 116 2HG GLN 116 12.078 -7.984 9.153 891 HG3 GLN 116 3HG GLN 116 13.236 -7.596 10.420 892 HE21 GLN 116 1HE2 GLN 116 13.558 -9.036 12.106 893 HE22 GLN 116 2HE2 GLN 116 13.086 -10.697 11.994 894 H TYR 117 HN TYR 117 8.231 -5.734 9.937 895 HA TYR 117 HA TYR 117 7.535 -4.992 12.667 896 HB2 TYR 117 2HB TYR 117 7.182 -3.695 9.983 897 HB3 TYR 117 3HB TYR 117 6.205 -3.170 11.349 898 HD1 TYR 117 1HD TYR 117 9.690 -3.548 10.163 899 HD2 TYR 117 2HD TYR 117 7.096 -1.713 12.980 900 HE1 TYR 117 1HE TYR 117 11.529 -2.090 10.890 901 HE2 TYR 117 2HE TYR 117 8.929 -0.247 13.722 902 HH TYR 117 HH TYR 117 11.864 0.033 11.983 903 HA PRO 118 HA PRO 118 3.528 -6.846 12.558 904 HB2 PRO 118 2HB PRO 118 2.014 -5.008 13.880 905 HB3 PRO 118 3HB PRO 118 3.152 -6.090 14.690 906 HG2 PRO 118 2HG PRO 118 3.470 -3.220 13.931 907 HG3 PRO 118 3HG PRO 118 4.012 -4.061 15.394 908 HD2 PRO 118 2HD PRO 118 5.661 -3.443 13.310 909 HD3 PRO 118 3HD PRO 118 5.928 -4.829 14.385 910 H LEU 119 HN LEU 119 3.481 -6.556 10.228 911 HA LEU 119 HA LEU 119 1.888 -4.342 9.215 912 HB2 LEU 119 2HB LEU 119 3.219 -6.678 7.849 913 HB3 LEU 119 3HB LEU 119 2.262 -5.478 7.003 914 HG LEU 119 HG LEU 119 4.858 -4.988 8.475 915 HD11 LEU 119 1HD1 LEU 119 5.112 -6.142 6.339 916 HD12 LEU 119 2HD1 LEU 119 4.160 -4.889 5.543 917 HD13 LEU 119 3HD1 LEU 119 5.724 -4.489 6.252 918 HD21 LEU 119 3HD2 LEU 119 3.104 -3.065 6.950 919 HD22 LEU 119 1HD2 LEU 119 3.337 -3.088 8.697 920 HD23 LEU 119 2HD2 LEU 119 4.689 -2.709 7.631 921 H ALA 120 HN ALA 120 -0.076 -4.660 8.066 922 HA ALA 120 HA ALA 120 -1.853 -6.543 9.217 923 HB1 ALA 120 1HB ALA 120 -2.595 -4.374 8.371 924 HB2 ALA 120 2HB ALA 120 -2.185 -4.866 6.729 925 HB3 ALA 120 3HB ALA 120 -3.478 -5.691 7.599 926 HA PRO 121 HA PRO 121 -1.422 -10.253 6.940 927 HB2 PRO 121 2HB PRO 121 -4.039 -10.721 6.110 928 HB3 PRO 121 3HB PRO 121 -3.354 -11.178 7.671 929 HG2 PRO 121 2HG PRO 121 -5.007 -8.797 6.946 930 HG3 PRO 121 3HG PRO 121 -5.048 -9.788 8.417 931 HD2 PRO 121 2HD PRO 121 -3.883 -7.387 8.407 932 HD3 PRO 121 3HD PRO 121 -3.179 -8.739 9.320 933 H ALA 122 HN ALA 122 -2.977 -7.576 5.324 934 HA ALA 122 HA ALA 122 -2.789 -8.846 2.716 935 HB1 ALA 122 1HB ALA 122 -4.731 -7.447 3.211 936 HB2 ALA 122 2HB ALA 122 -3.675 -6.056 3.446 937 HB3 ALA 122 3HB ALA 122 -3.807 -6.802 1.852 938 H ASP 123 HN ASP 123 -1.013 -6.624 4.690 939 HA ASP 123 HA ASP 123 0.459 -5.403 2.544 940 HB2 ASP 123 2HB ASP 123 0.901 -5.368 5.539 941 HB3 ASP 123 3HB ASP 123 1.780 -4.377 4.382 942 H ILE 124 HN ILE 124 0.739 -8.195 4.496 943 HA ILE 124 HA ILE 124 3.525 -8.528 4.555 944 HB ILE 124 HB ILE 124 1.366 -10.639 4.633 945 HG12 ILE 124 2HG1 ILE 124 2.873 -9.300 6.885 946 HG13 ILE 124 3HG1 ILE 124 1.229 -8.898 6.402 947 HG21 ILE 124 1HG2 ILE 124 3.079 -12.043 5.729 948 HG22 ILE 124 2HG2 ILE 124 3.507 -11.634 4.067 949 HG23 ILE 124 3HG2 ILE 124 4.278 -10.790 5.410 950 HD11 ILE 124 3HD1 ILE 124 1.293 -10.347 8.368 951 HD12 ILE 124 1HD1 ILE 124 0.489 -11.126 7.004 952 HD13 ILE 124 2HD1 ILE 124 2.141 -11.576 7.428 953 HA PRO 125 HA PRO 125 3.096 -11.417 0.664 954 HB2 PRO 125 2HB PRO 125 0.809 -11.104 -0.825 955 HB3 PRO 125 3HB PRO 125 1.037 -12.360 0.396 956 HG2 PRO 125 2HG PRO 125 -0.382 -9.740 0.621 957 HG3 PRO 125 3HG PRO 125 -0.850 -11.328 1.255 958 HD2 PRO 125 2HD PRO 125 0.242 -9.450 2.825 959 HD3 PRO 125 3HD PRO 125 0.581 -11.177 3.056 960 H LEU 126 HN LEU 126 1.783 -8.181 0.714 961 HA LEU 126 HA LEU 126 2.512 -7.541 -1.980 962 HB2 LEU 126 2HB LEU 126 1.902 -5.734 0.367 963 HB3 LEU 126 3HB LEU 126 2.093 -5.202 -1.292 964 HG LEU 126 HG LEU 126 -0.077 -7.037 -0.274 965 HD11 LEU 126 1HD1 LEU 126 -0.157 -4.160 -1.169 966 HD12 LEU 126 2HD1 LEU 126 -1.562 -5.151 -0.771 967 HD13 LEU 126 3HD1 LEU 126 -0.381 -4.752 0.477 968 HD21 LEU 126 3HD2 LEU 126 -1.040 -6.768 -2.516 969 HD22 LEU 126 1HD2 LEU 126 0.397 -5.879 -3.018 970 HD23 LEU 126 2HD2 LEU 126 0.526 -7.577 -2.562 971 H LEU 127 HN LEU 127 3.914 -7.009 1.227 972 HA LEU 127 HA LEU 127 6.228 -5.675 0.230 973 HB2 LEU 127 2HB LEU 127 5.267 -5.536 2.578 974 HB3 LEU 127 3HB LEU 127 5.979 -7.108 2.868 975 HG LEU 127 HG LEU 127 7.292 -5.113 3.709 976 HD11 LEU 127 1HD1 LEU 127 9.462 -5.985 3.019 977 HD12 LEU 127 2HD1 LEU 127 8.353 -7.279 3.474 978 HD13 LEU 127 3HD1 LEU 127 8.674 -6.952 1.771 979 HD21 LEU 127 3HD2 LEU 127 6.910 -3.657 1.799 980 HD22 LEU 127 1HD2 LEU 127 8.634 -3.899 2.081 981 HD23 LEU 127 2HD2 LEU 127 7.826 -4.758 0.771 982 H GLU 128 HN GLU 128 5.458 -9.043 1.079 983 HA GLU 128 HA GLU 128 7.937 -10.215 0.822 984 HB2 GLU 128 2HB GLU 128 5.198 -11.178 0.018 985 HB3 GLU 128 3HB GLU 128 6.622 -12.196 -0.135 986 HG2 GLU 128 2HG GLU 128 5.765 -10.938 2.454 987 HG3 GLU 128 3HG GLU 128 5.249 -12.540 1.932 988 H ALA 129 HN ALA 129 5.657 -9.332 -1.764 989 HA ALA 129 HA ALA 129 7.469 -10.279 -3.789 990 HB1 ALA 129 1HB ALA 129 5.052 -8.556 -4.225 991 HB2 ALA 129 2HB ALA 129 5.895 -9.571 -5.397 992 HB3 ALA 129 3HB ALA 129 4.992 -10.317 -4.074 993 H PHE 130 HN PHE 130 7.161 -7.371 -1.995 994 HA PHE 130 HA PHE 130 8.257 -5.668 -4.026 995 HB2 PHE 130 2HB PHE 130 6.877 -4.786 -2.143 996 HB3 PHE 130 3HB PHE 130 8.158 -5.248 -1.025 997 HD1 PHE 130 2HD PHE 130 7.217 -2.988 -3.743 998 HD2 PHE 130 1HD PHE 130 10.175 -3.964 -0.848 999 HE1 PHE 130 2HE PHE 130 8.319 -0.832 -4.152 1000 HE2 PHE 130 1HE PHE 130 11.292 -1.811 -1.260 1001 HZ PHE 130 HZ PHE 130 10.364 -0.241 -2.915 1002 H MET 131 HN MET 131 9.436 -7.260 -1.080 1003 HA MET 131 HA MET 131 12.155 -6.635 -1.525 1004 HB2 MET 131 2HB MET 131 12.685 -8.233 0.175 1005 HB3 MET 131 3HB MET 131 11.192 -7.440 0.663 1006 HG2 MET 131 2HG MET 131 9.898 -9.332 0.116 1007 HG3 MET 131 3HG MET 131 11.231 -10.090 -0.750 1008 HE1 MET 131 3HE MET 131 11.307 -8.241 2.739 1009 HE2 MET 131 1HE MET 131 9.781 -9.129 2.789 1010 HE3 MET 131 2HE MET 131 11.111 -9.603 3.844 1011 H ALA 132 HN ALA 132 10.098 -9.373 -2.546 1012 HA ALA 132 HA ALA 132 12.004 -10.840 -3.927 1013 HB1 ALA 132 1HB ALA 132 10.116 -11.643 -5.300 1014 HB2 ALA 132 2HB ALA 132 9.732 -11.641 -3.580 1015 HB3 ALA 132 3HB ALA 132 9.093 -10.368 -4.627 1016 H LEU 133 HN LEU 133 10.226 -7.946 -4.870 1017 HA LEU 133 HA LEU 133 11.012 -7.967 -7.592 1018 HB2 LEU 133 2HB LEU 133 9.398 -6.362 -5.897 1019 HB3 LEU 133 3HB LEU 133 10.545 -5.301 -6.691 1020 HG LEU 133 HG LEU 133 9.803 -6.302 -8.885 1021 HD11 LEU 133 1HD1 LEU 133 8.834 -8.362 -7.989 1022 HD12 LEU 133 2HD1 LEU 133 7.585 -7.424 -7.170 1023 HD13 LEU 133 3HD1 LEU 133 7.655 -7.453 -8.933 1024 HD21 LEU 133 3HD2 LEU 133 9.058 -4.118 -8.120 1025 HD22 LEU 133 1HD2 LEU 133 7.763 -4.958 -8.977 1026 HD23 LEU 133 2HD2 LEU 133 7.744 -4.868 -7.213 1027 H ARG 134 HN ARG 134 12.462 -6.664 -4.660 1028 HA ARG 134 HA ARG 134 14.520 -5.310 -6.142 1029 HB2 ARG 134 2HB ARG 134 14.140 -5.822 -3.196 1030 HB3 ARG 134 3HB ARG 134 15.494 -4.922 -3.864 1031 HG2 ARG 134 2HG ARG 134 13.818 -3.356 -4.887 1032 HG3 ARG 134 3HG ARG 134 12.581 -4.189 -3.940 1033 HD2 ARG 134 2HD ARG 134 13.419 -2.149 -2.832 1034 HD3 ARG 134 3HD ARG 134 13.702 -3.606 -1.883 1035 HE ARG 134 HE ARG 134 16.016 -3.513 -2.509 1036 HH11 ARG 134 2HH1 ARG 134 14.145 -0.607 -3.146 1037 HH12 ARG 134 1HH1 ARG 134 15.551 0.365 -3.462 1038 HH21 ARG 134 2HH2 ARG 134 17.863 -2.211 -2.899 1039 HH22 ARG 134 1HH2 ARG 134 17.652 -0.529 -3.317 1040 H ALA 135 HN ALA 135 14.082 -8.504 -4.826 1041 HA ALA 135 HA ALA 135 16.948 -8.971 -4.645 1042 HB1 ALA 135 1HB ALA 135 15.460 -9.890 -2.917 1043 HB2 ALA 135 2HB ALA 135 14.653 -10.866 -4.142 1044 HB3 ALA 135 3HB ALA 135 16.352 -11.155 -3.763 1045 H ALA 136 HN ALA 136 14.168 -9.943 -6.587 1046 HA ALA 136 HA ALA 136 15.862 -11.543 -8.345 1047 HB1 ALA 136 1HB ALA 136 13.650 -12.419 -7.734 1048 HB2 ALA 136 2HB ALA 136 12.890 -11.004 -8.462 1049 HB3 ALA 136 3HB ALA 136 13.776 -12.145 -9.472 1050 H ARG 137 HN ARG 137 13.970 -8.598 -8.311 1051 HA ARG 137 HA ARG 137 13.933 -6.739 -9.591 1052 HB2 ARG 137 2HB ARG 137 16.342 -6.713 -9.105 1053 HB3 ARG 137 3HB ARG 137 16.638 -7.704 -10.527 1054 HG2 ARG 137 2HG ARG 137 17.143 -5.588 -11.279 1055 HG3 ARG 137 3HG ARG 137 15.475 -5.788 -11.815 1056 HD2 ARG 137 2HD ARG 137 16.447 -4.268 -9.398 1057 HD3 ARG 137 3HD ARG 137 15.756 -3.587 -10.868 1058 HE ARG 137 HE ARG 137 14.250 -5.186 -8.892 1059 HH11 ARG 137 2HH1 ARG 137 14.343 -2.800 -11.443 1060 HH12 ARG 137 1HH1 ARG 137 12.752 -2.182 -11.111 1061 HH21 ARG 137 2HH2 ARG 137 12.150 -4.380 -8.443 1062 HH22 ARG 137 1HH2 ARG 137 11.510 -3.068 -9.386 1063 HA PRO 138 HA PRO 138 12.272 -8.770 -13.367 1064 HB2 PRO 138 2HB PRO 138 10.472 -6.432 -13.055 1065 HB3 PRO 138 3HB PRO 138 10.074 -8.126 -13.367 1066 HG2 PRO 138 2HG PRO 138 9.634 -7.069 -10.982 1067 HG3 PRO 138 3HG PRO 138 10.270 -8.718 -11.138 1068 HD2 PRO 138 2HD PRO 138 11.736 -6.181 -10.482 1069 HD3 PRO 138 3HD PRO 138 11.886 -7.787 -9.736 1070 H ALA 139 HN ALA 139 12.691 -8.147 -15.414 1071 HA ALA 139 HA ALA 139 14.412 -5.920 -15.829 1072 HB1 ALA 139 1HB ALA 139 13.097 -7.744 -17.829 1073 HB2 ALA 139 2HB ALA 139 14.454 -6.661 -18.148 1074 HB3 ALA 139 3HB ALA 139 14.652 -8.025 -17.047 1075 H ASP 140 HN ASP 140 11.268 -6.736 -17.300 1076 HA ASP 140 HA ASP 140 10.882 -3.883 -17.862 1077 HB2 ASP 140 2HB ASP 140 9.322 -6.228 -18.972 1078 HB3 ASP 140 3HB ASP 140 9.248 -4.554 -19.516 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -29.224 -17.300 -10.453 2 H2 GLY 1 2H GLY 1 -29.059 -16.610 -11.992 3 H3 GLY 1 3H GLY 1 -28.388 -15.833 -10.641 4 HA2 GLY 1 3HA GLY 1 -27.532 -18.421 -11.809 5 HA3 GLY 1 2HA GLY 1 -26.647 -16.903 -11.867 6 HA PRO 2 HA PRO 2 -24.630 -18.581 -8.268 7 HB2 PRO 2 2HB PRO 2 -22.984 -16.485 -7.779 8 HB3 PRO 2 3HB PRO 2 -22.699 -17.633 -9.092 9 HG2 PRO 2 2HG PRO 2 -23.919 -14.904 -9.194 10 HG3 PRO 2 3HG PRO 2 -22.755 -15.650 -10.303 11 HD2 PRO 2 2HD PRO 2 -25.416 -15.485 -10.830 12 HD3 PRO 2 3HD PRO 2 -24.390 -16.798 -11.438 13 H LEU 3 HN LEU 3 -25.894 -18.673 -6.494 14 HA LEU 3 HA LEU 3 -27.247 -16.452 -5.369 15 HB2 LEU 3 2HB LEU 3 -26.603 -19.184 -4.287 16 HB3 LEU 3 3HB LEU 3 -27.435 -17.983 -3.322 17 HG LEU 3 HG LEU 3 -29.083 -19.448 -4.211 18 HD11 LEU 3 1HD1 LEU 3 -29.063 -16.902 -5.819 19 HD12 LEU 3 2HD1 LEU 3 -30.462 -17.943 -5.557 20 HD13 LEU 3 3HD1 LEU 3 -29.715 -17.108 -4.194 21 HD21 LEU 3 3HD2 LEU 3 -27.879 -18.934 -6.927 22 HD22 LEU 3 1HD2 LEU 3 -27.809 -20.442 -6.017 23 HD23 LEU 3 2HD2 LEU 3 -29.357 -19.846 -6.619 24 H GLY 4 HN GLY 4 -24.045 -17.635 -5.110 25 HA2 GLY 4 2HA GLY 4 -23.505 -15.909 -2.796 26 HA3 GLY 4 3HA GLY 4 -22.420 -17.137 -3.440 27 H SER 5 HN SER 5 -23.858 -13.976 -4.131 28 HA SER 5 HA SER 5 -21.789 -13.454 -6.120 29 HB2 SER 5 2HB SER 5 -24.118 -11.730 -5.228 30 HB3 SER 5 3HB SER 5 -23.063 -11.419 -6.609 31 HG SER 5 HG SER 5 -24.341 -13.901 -6.477 32 H MET 6 HN MET 6 -19.934 -12.606 -5.515 33 HA MET 6 HA MET 6 -19.655 -11.595 -2.815 34 HB2 MET 6 2HB MET 6 -17.239 -11.589 -3.322 35 HB3 MET 6 3HB MET 6 -17.989 -13.153 -3.606 36 HG2 MET 6 2HG MET 6 -18.057 -12.669 -6.009 37 HG3 MET 6 3HG MET 6 -17.284 -11.115 -5.706 38 HE1 MET 6 3HE MET 6 -15.224 -15.183 -4.947 39 HE2 MET 6 1HE MET 6 -16.447 -14.524 -3.862 40 HE3 MET 6 2HE MET 6 -16.889 -15.012 -5.497 41 H LYS 7 HN LYS 7 -19.045 -9.561 -2.219 42 HA LYS 7 HA LYS 7 -19.277 -7.451 -4.231 43 HB2 LYS 7 2HB LYS 7 -18.996 -7.319 -1.213 44 HB3 LYS 7 3HB LYS 7 -19.072 -5.908 -2.252 45 HG2 LYS 7 2HG LYS 7 -21.222 -6.097 -1.424 46 HG3 LYS 7 3HG LYS 7 -21.337 -6.843 -3.017 47 HD2 LYS 7 2HD LYS 7 -21.319 -9.029 -2.083 48 HD3 LYS 7 3HD LYS 7 -20.876 -8.415 -0.489 49 HE2 LYS 7 2HE LYS 7 -23.244 -9.026 -0.592 50 HE3 LYS 7 3HE LYS 7 -23.033 -7.301 -0.302 51 HZ1 LYS 7 3HZ LYS 7 -23.606 -6.819 -2.535 52 HZ2 LYS 7 1HZ LYS 7 -24.778 -7.903 -1.959 53 HZ3 LYS 7 2HZ LYS 7 -23.545 -8.451 -2.990 54 H MET 8 HN MET 8 -17.499 -6.218 -4.878 55 HA MET 8 HA MET 8 -14.943 -7.209 -3.845 56 HB2 MET 8 2HB MET 8 -15.731 -6.111 -6.508 57 HB3 MET 8 3HB MET 8 -14.056 -6.017 -5.980 58 HG2 MET 8 2HG MET 8 -14.104 -8.478 -5.612 59 HG3 MET 8 3HG MET 8 -15.705 -8.505 -6.348 60 HE1 MET 8 3HE MET 8 -12.743 -6.143 -7.367 61 HE2 MET 8 1HE MET 8 -11.911 -7.626 -6.902 62 HE3 MET 8 2HE MET 8 -11.918 -7.110 -8.589 63 H ILE 9 HN ILE 9 -13.557 -6.007 -2.879 64 HA ILE 9 HA ILE 9 -14.001 -3.094 -2.728 65 HB ILE 9 HB ILE 9 -12.643 -4.932 -0.761 66 HG12 ILE 9 2HG1 ILE 9 -15.327 -3.554 -0.668 67 HG13 ILE 9 3HG1 ILE 9 -15.020 -5.288 -0.695 68 HG21 ILE 9 1HG2 ILE 9 -12.262 -3.140 0.673 69 HG22 ILE 9 2HG2 ILE 9 -11.768 -2.556 -0.922 70 HG23 ILE 9 3HG2 ILE 9 -13.326 -2.059 -0.248 71 HD11 ILE 9 3HD1 ILE 9 -14.331 -3.395 1.539 72 HD12 ILE 9 1HD1 ILE 9 -15.643 -4.575 1.522 73 HD13 ILE 9 2HD1 ILE 9 -13.964 -5.119 1.509 74 H GLU 10 HN GLU 10 -12.541 -2.016 -3.899 75 HA GLU 10 HA GLU 10 -9.997 -3.325 -4.549 76 HB2 GLU 10 2HB GLU 10 -11.465 -0.960 -5.727 77 HB3 GLU 10 3HB GLU 10 -9.787 -1.296 -6.118 78 HG2 GLU 10 2HG GLU 10 -11.822 -3.442 -6.484 79 HG3 GLU 10 3HG GLU 10 -11.719 -2.133 -7.659 80 H VAL 11 HN VAL 11 -8.141 -2.685 -3.585 81 HA VAL 11 HA VAL 11 -8.128 -0.082 -2.231 82 HB VAL 11 HB VAL 11 -7.144 -2.684 -1.027 83 HG11 VAL 11 1HG1 VAL 11 -5.642 -0.834 -0.493 84 HG12 VAL 11 2HG1 VAL 11 -7.009 0.124 0.074 85 HG13 VAL 11 3HG1 VAL 11 -6.542 -1.343 0.934 86 HG21 VAL 11 3HG2 VAL 11 -9.369 -0.833 -0.174 87 HG22 VAL 11 1HG2 VAL 11 -9.562 -2.440 -0.877 88 HG23 VAL 11 2HG2 VAL 11 -8.821 -2.255 0.714 89 H VAL 12 HN VAL 12 -6.369 1.068 -2.677 90 HA VAL 12 HA VAL 12 -4.114 -0.333 -3.936 91 HB VAL 12 HB VAL 12 -3.430 2.080 -4.584 92 HG11 VAL 12 1HG1 VAL 12 -4.062 0.457 -6.227 93 HG12 VAL 12 2HG1 VAL 12 -5.771 0.658 -5.839 94 HG13 VAL 12 3HG1 VAL 12 -4.881 1.974 -6.602 95 HG21 VAL 12 3HG2 VAL 12 -5.016 3.273 -3.198 96 HG22 VAL 12 1HG2 VAL 12 -5.343 3.606 -4.897 97 HG23 VAL 12 2HG2 VAL 12 -6.365 2.478 -4.006 98 H ALA 13 HN ALA 13 -2.147 -0.275 -3.062 99 HA ALA 13 HA ALA 13 -1.772 1.332 -0.628 100 HB1 ALA 13 1HB ALA 13 -0.255 -0.418 0.161 101 HB2 ALA 13 2HB ALA 13 -1.859 -1.086 -0.146 102 HB3 ALA 13 3HB ALA 13 -0.552 -1.354 -1.302 103 H ALA 14 HN ALA 14 -0.015 2.639 -0.623 104 HA ALA 14 HA ALA 14 1.511 2.699 -3.130 105 HB1 ALA 14 1HB ALA 14 1.023 4.836 -1.060 106 HB2 ALA 14 2HB ALA 14 2.104 5.020 -2.441 107 HB3 ALA 14 3HB ALA 14 0.381 4.768 -2.699 108 H ILE 15 HN ILE 15 3.549 2.084 -3.124 109 HA ILE 15 HA ILE 15 4.885 1.752 -0.550 110 HB ILE 15 HB ILE 15 5.658 0.779 -3.310 111 HG12 ILE 15 2HG1 ILE 15 4.323 -0.475 -0.936 112 HG13 ILE 15 3HG1 ILE 15 3.907 -0.606 -2.641 113 HG21 ILE 15 1HG2 ILE 15 7.602 1.318 -1.884 114 HG22 ILE 15 2HG2 ILE 15 6.983 0.198 -0.672 115 HG23 ILE 15 3HG2 ILE 15 7.475 -0.402 -2.255 116 HD11 ILE 15 3HD1 ILE 15 6.277 -1.883 -1.296 117 HD12 ILE 15 1HD1 ILE 15 4.771 -2.701 -1.763 118 HD13 ILE 15 2HD1 ILE 15 5.836 -2.045 -3.007 119 H ILE 16 HN ILE 16 5.684 3.658 0.052 120 HA ILE 16 HA ILE 16 6.721 5.479 -1.975 121 HB ILE 16 HB ILE 16 6.266 5.996 0.972 122 HG12 ILE 16 2HG1 ILE 16 4.454 6.558 -1.388 123 HG13 ILE 16 3HG1 ILE 16 4.166 5.358 -0.135 124 HG21 ILE 16 1HG2 ILE 16 6.687 7.850 -1.372 125 HG22 ILE 16 2HG2 ILE 16 6.259 8.367 0.260 126 HG23 ILE 16 3HG2 ILE 16 7.804 7.565 -0.037 127 HD11 ILE 16 3HD1 ILE 16 2.830 7.357 0.203 128 HD12 ILE 16 1HD1 ILE 16 3.975 7.118 1.524 129 HD13 ILE 16 2HD1 ILE 16 4.300 8.328 0.283 130 H GLU 17 HN GLU 17 8.806 5.265 -2.400 131 HA GLU 17 HA GLU 17 10.549 4.231 -0.276 132 HB2 GLU 17 2HB GLU 17 10.364 2.857 -2.337 133 HB3 GLU 17 3HB GLU 17 10.997 4.210 -3.263 134 HG2 GLU 17 2HG GLU 17 13.045 4.103 -1.808 135 HG3 GLU 17 3HG GLU 17 12.408 2.584 -1.173 136 H ARG 18 HN ARG 18 12.185 5.403 0.436 137 HA ARG 18 HA ARG 18 13.249 7.550 -1.230 138 HB2 ARG 18 2HB ARG 18 11.453 8.281 0.567 139 HB3 ARG 18 3HB ARG 18 12.817 8.125 1.670 140 HG2 ARG 18 2HG ARG 18 12.622 10.406 0.939 141 HG3 ARG 18 3HG ARG 18 14.091 9.702 0.267 142 HD2 ARG 18 2HD ARG 18 13.103 9.455 -1.871 143 HD3 ARG 18 3HD ARG 18 11.493 9.803 -1.244 144 HE ARG 18 HE ARG 18 13.159 12.012 -0.763 145 HH11 ARG 18 2HH1 ARG 18 11.688 10.338 -3.463 146 HH12 ARG 18 1HH1 ARG 18 11.515 11.773 -4.431 147 HH21 ARG 18 2HH2 ARG 18 12.914 13.901 -2.003 148 HH22 ARG 18 1HH2 ARG 18 12.225 13.806 -3.602 149 H ASP 19 HN ASP 19 15.338 7.272 -1.349 150 HA ASP 19 HA ASP 19 17.493 6.749 -0.900 151 HB2 ASP 19 2HB ASP 19 16.556 6.883 1.969 152 HB3 ASP 19 3HB ASP 19 18.238 6.671 1.489 153 H GLY 20 HN GLY 20 15.153 4.589 -0.804 154 HA2 GLY 20 2HA GLY 20 15.671 2.296 -1.225 155 HA3 GLY 20 3HA GLY 20 17.018 2.431 -0.105 156 H LYS 21 HN LYS 21 14.466 4.060 1.223 157 HA LYS 21 HA LYS 21 13.644 1.682 2.752 158 HB2 LYS 21 2HB LYS 21 13.617 4.529 3.751 159 HB3 LYS 21 3HB LYS 21 13.374 3.066 4.689 160 HG2 LYS 21 2HG LYS 21 15.861 2.704 3.542 161 HG3 LYS 21 3HG LYS 21 15.824 4.415 3.950 162 HD2 LYS 21 2HD LYS 21 15.404 3.975 6.229 163 HD3 LYS 21 3HD LYS 21 15.010 2.285 5.909 164 HE2 LYS 21 2HE LYS 21 17.251 2.634 6.935 165 HE3 LYS 21 3HE LYS 21 17.285 1.780 5.395 166 HZ1 LYS 21 3HZ LYS 21 18.943 3.700 5.844 167 HZ2 LYS 21 1HZ LYS 21 17.640 4.702 5.438 168 HZ3 LYS 21 2HZ LYS 21 18.217 3.562 4.319 169 H ILE 22 HN ILE 22 11.450 1.577 3.438 170 HA ILE 22 HA ILE 22 9.642 2.991 1.594 171 HB ILE 22 HB ILE 22 8.888 0.560 3.208 172 HG12 ILE 22 2HG1 ILE 22 10.188 0.548 0.475 173 HG13 ILE 22 3HG1 ILE 22 10.951 0.010 1.968 174 HG21 ILE 22 1HG2 ILE 22 7.399 0.200 1.185 175 HG22 ILE 22 2HG2 ILE 22 7.023 1.616 2.183 176 HG23 ILE 22 3HG2 ILE 22 7.888 1.814 0.658 177 HD11 ILE 22 3HD1 ILE 22 8.540 -1.214 0.648 178 HD12 ILE 22 1HD1 ILE 22 10.173 -1.883 0.700 179 HD13 ILE 22 2HD1 ILE 22 9.234 -1.732 2.187 180 H LEU 23 HN LEU 23 7.752 3.952 2.387 181 HA LEU 23 HA LEU 23 7.949 4.911 5.110 182 HB2 LEU 23 2HB LEU 23 7.430 6.436 3.245 183 HB3 LEU 23 3HB LEU 23 5.946 5.554 2.945 184 HG LEU 23 HG LEU 23 5.146 6.200 5.208 185 HD11 LEU 23 1HD1 LEU 23 7.681 7.823 5.223 186 HD12 LEU 23 2HD1 LEU 23 6.335 8.059 6.336 187 HD13 LEU 23 3HD1 LEU 23 7.225 6.538 6.343 188 HD21 LEU 23 3HD2 LEU 23 4.691 8.540 4.657 189 HD22 LEU 23 1HD2 LEU 23 5.925 8.479 3.397 190 HD23 LEU 23 2HD2 LEU 23 4.475 7.485 3.262 191 H LEU 24 HN LEU 24 7.056 3.875 6.736 192 HA LEU 24 HA LEU 24 4.581 2.330 6.281 193 HB2 LEU 24 2HB LEU 24 6.737 2.021 8.363 194 HB3 LEU 24 3HB LEU 24 5.170 1.256 8.514 195 HG LEU 24 HG LEU 24 5.633 0.082 6.329 196 HD11 LEU 24 1HD1 LEU 24 8.413 1.121 6.789 197 HD12 LEU 24 2HD1 LEU 24 7.950 -0.110 5.614 198 HD13 LEU 24 3HD1 LEU 24 7.345 1.538 5.449 199 HD21 LEU 24 3HD2 LEU 24 7.096 -1.584 7.351 200 HD22 LEU 24 1HD2 LEU 24 7.501 -0.438 8.631 201 HD23 LEU 24 2HD2 LEU 24 5.849 -1.034 8.468 202 H ALA 25 HN ALA 25 2.779 2.749 7.476 203 HA ALA 25 HA ALA 25 2.980 5.011 9.360 204 HB1 ALA 25 1HB ALA 25 0.653 4.382 7.548 205 HB2 ALA 25 2HB ALA 25 0.798 5.760 8.642 206 HB3 ALA 25 3HB ALA 25 1.874 5.620 7.250 207 H GLN 26 HN GLN 26 2.490 4.528 11.365 208 HA GLN 26 HA GLN 26 1.456 2.017 12.144 209 HB2 GLN 26 2HB GLN 26 2.986 3.269 13.571 210 HB3 GLN 26 3HB GLN 26 1.792 4.546 13.764 211 HG2 GLN 26 2HG GLN 26 0.290 2.928 14.863 212 HG3 GLN 26 3HG GLN 26 1.554 1.708 14.737 213 HE21 GLN 26 1HE2 GLN 26 0.241 2.860 17.081 214 HE22 GLN 26 2HE2 GLN 26 1.513 3.479 18.072 215 H ARG 27 HN ARG 27 -0.528 1.423 11.762 216 HA ARG 27 HA ARG 27 -2.705 1.894 13.228 217 HB2 ARG 27 2HB ARG 27 -2.876 4.235 12.583 218 HB3 ARG 27 3HB ARG 27 -2.794 3.811 10.879 219 HG2 ARG 27 2HG ARG 27 -4.933 2.484 11.280 220 HG3 ARG 27 3HG ARG 27 -5.043 3.355 12.811 221 HD2 ARG 27 2HD ARG 27 -5.160 5.449 11.700 222 HD3 ARG 27 3HD ARG 27 -4.746 4.721 10.150 223 HE ARG 27 HE ARG 27 -7.278 4.149 11.565 224 HH11 ARG 27 2HH1 ARG 27 -5.479 4.855 8.647 225 HH12 ARG 27 1HH1 ARG 27 -6.874 4.849 7.616 226 HH21 ARG 27 2HH2 ARG 27 -9.107 4.106 10.236 227 HH22 ARG 27 1HH2 ARG 27 -8.956 4.429 8.536 228 HA PRO 28 HA PRO 28 -3.831 -1.120 10.084 229 HB2 PRO 28 2HB PRO 28 -5.562 -2.539 11.519 230 HB3 PRO 28 3HB PRO 28 -3.851 -2.542 11.950 231 HG2 PRO 28 2HG PRO 28 -6.116 -1.050 13.195 232 HG3 PRO 28 3HG PRO 28 -4.751 -1.863 13.966 233 HD2 PRO 28 2HD PRO 28 -4.928 0.871 13.419 234 HD3 PRO 28 3HD PRO 28 -3.435 -0.008 13.803 235 H ALA 29 HN ALA 29 -6.631 -2.051 10.307 236 HA ALA 29 HA ALA 29 -7.879 0.271 9.044 237 HB1 ALA 29 1HB ALA 29 -9.442 -1.301 8.048 238 HB2 ALA 29 2HB ALA 29 -7.776 -1.789 7.731 239 HB3 ALA 29 3HB ALA 29 -8.720 -2.620 8.968 240 H GLN 30 HN GLN 30 -9.285 -2.468 10.856 241 HA GLN 30 HA GLN 30 -10.847 -0.480 12.383 242 HB2 GLN 30 2HB GLN 30 -11.578 -3.274 11.508 243 HB3 GLN 30 3HB GLN 30 -12.511 -2.355 12.680 244 HG2 GLN 30 2HG GLN 30 -12.894 -0.619 10.994 245 HG3 GLN 30 3HG GLN 30 -11.993 -1.578 9.820 246 HE21 GLN 30 1HE2 GLN 30 -14.780 -0.670 9.823 247 HE22 GLN 30 2HE2 GLN 30 -15.739 -2.106 9.668 248 H SER 31 HN SER 31 -8.365 -2.637 12.659 249 HA SER 31 HA SER 31 -8.978 -3.933 15.101 250 HB2 SER 31 2HB SER 31 -6.222 -3.326 14.019 251 HB3 SER 31 3HB SER 31 -6.691 -4.648 15.088 252 HG SER 31 HG SER 31 -6.892 -5.724 13.289 253 H ASP 32 HN ASP 32 -8.519 -3.395 17.190 254 HA ASP 32 HA ASP 32 -8.003 -0.579 17.714 255 HB2 ASP 32 2HB ASP 32 -8.669 -2.868 19.580 256 HB3 ASP 32 3HB ASP 32 -8.476 -1.193 20.082 257 H GLN 33 HN GLN 33 -6.346 -3.557 17.652 258 HA GLN 33 HA GLN 33 -4.305 -3.007 19.517 259 HB2 GLN 33 2HB GLN 33 -2.999 -4.725 18.171 260 HB3 GLN 33 3HB GLN 33 -4.522 -5.258 18.861 261 HG2 GLN 33 2HG GLN 33 -5.600 -4.933 16.670 262 HG3 GLN 33 3HG GLN 33 -4.037 -4.478 15.993 263 HE21 GLN 33 1HE2 GLN 33 -4.411 -6.944 18.420 264 HE22 GLN 33 2HE2 GLN 33 -4.005 -8.285 17.404 265 H ALA 34 HN ALA 34 -3.410 -1.050 19.355 266 HA ALA 34 HA ALA 34 -2.469 0.002 16.844 267 HB1 ALA 34 1HB ALA 34 -3.407 1.475 18.574 268 HB2 ALA 34 2HB ALA 34 -2.069 1.056 19.643 269 HB3 ALA 34 3HB ALA 34 -1.757 1.926 18.140 270 H GLY 35 HN GLY 35 -0.252 0.598 16.478 271 HA2 GLY 35 2HA GLY 35 2.073 0.406 17.185 272 HA3 GLY 35 3HA GLY 35 1.662 -1.142 17.896 273 H LEU 36 HN LEU 36 -0.088 -1.637 15.495 274 HA LEU 36 HA LEU 36 1.844 -2.909 13.862 275 HB2 LEU 36 2HB LEU 36 -1.131 -2.513 13.706 276 HB3 LEU 36 3HB LEU 36 -0.248 -3.308 12.420 277 HG LEU 36 HG LEU 36 0.377 -5.123 13.869 278 HD11 LEU 36 1HD1 LEU 36 -0.338 -5.256 16.204 279 HD12 LEU 36 2HD1 LEU 36 0.745 -3.885 15.952 280 HD13 LEU 36 3HD1 LEU 36 -0.992 -3.619 16.101 281 HD21 LEU 36 3HD2 LEU 36 -1.826 -5.989 14.438 282 HD22 LEU 36 1HD2 LEU 36 -2.503 -4.373 14.240 283 HD23 LEU 36 2HD2 LEU 36 -1.816 -5.219 12.852 284 H TRP 37 HN TRP 37 2.285 -2.520 11.677 285 HA TRP 37 HA TRP 37 1.828 0.265 10.827 286 HB2 TRP 37 2HB TRP 37 4.220 -1.480 10.194 287 HB3 TRP 37 3HB TRP 37 4.009 0.205 9.739 288 HD1 TRP 37 1HD TRP 37 4.684 -1.988 12.819 289 HE1 TRP 37 1HE TRP 37 5.759 -0.531 14.645 290 HE3 TRP 37 3HE TRP 37 4.289 2.575 10.548 291 HZ2 TRP 37 2HZ TRP 37 6.366 2.192 15.065 292 HZ3 TRP 37 3HZ TRP 37 5.145 4.555 11.729 293 HH2 TRP 37 2HH TRP 37 6.163 4.367 13.942 294 H GLU 38 HN GLU 38 1.573 0.615 8.579 295 HA GLU 38 HA GLU 38 1.540 -1.623 6.757 296 HB2 GLU 38 2HB GLU 38 -0.768 -1.148 5.959 297 HB3 GLU 38 3HB GLU 38 -0.732 -1.780 7.598 298 HG2 GLU 38 2HG GLU 38 -1.081 0.429 8.500 299 HG3 GLU 38 3HG GLU 38 -0.991 1.131 6.887 300 H PHE 39 HN PHE 39 1.248 -0.864 4.497 301 HA PHE 39 HA PHE 39 2.502 1.717 4.152 302 HB2 PHE 39 2HB PHE 39 1.524 -0.306 2.120 303 HB3 PHE 39 3HB PHE 39 2.386 1.169 1.717 304 HD1 PHE 39 1HD PHE 39 3.793 0.134 4.687 305 HD2 PHE 39 2HD PHE 39 3.589 -0.923 0.580 306 HE1 PHE 39 1HE PHE 39 5.912 -1.071 4.897 307 HE2 PHE 39 2HE PHE 39 5.698 -2.124 0.784 308 HZ PHE 39 HZ PHE 39 6.882 -2.211 2.945 309 H ALA 40 HN ALA 40 1.580 3.552 3.317 310 HA ALA 40 HA ALA 40 -1.176 3.886 3.916 311 HB1 ALA 40 1HB ALA 40 -0.863 6.196 3.237 312 HB2 ALA 40 2HB ALA 40 0.467 5.665 4.269 313 HB3 ALA 40 3HB ALA 40 0.699 5.787 2.524 314 H GLY 41 HN GLY 41 -2.753 4.860 2.407 315 HA2 GLY 41 2HA GLY 41 -2.698 4.873 -0.315 316 HA3 GLY 41 3HA GLY 41 -2.982 3.185 0.094 317 H GLY 42 HN GLY 42 -5.063 2.843 -0.350 318 HA2 GLY 42 2HA GLY 42 -7.099 3.600 1.318 319 HA3 GLY 42 3HA GLY 42 -7.063 4.863 0.098 320 H LYS 43 HN LYS 43 -9.319 3.640 0.230 321 HA LYS 43 HA LYS 43 -9.493 1.304 -1.443 322 HB2 LYS 43 2HB LYS 43 -11.108 1.688 0.360 323 HB3 LYS 43 3HB LYS 43 -11.649 3.168 -0.417 324 HG2 LYS 43 2HG LYS 43 -12.469 1.851 -2.313 325 HG3 LYS 43 3HG LYS 43 -11.935 0.373 -1.505 326 HD2 LYS 43 2HD LYS 43 -13.433 0.891 0.379 327 HD3 LYS 43 3HD LYS 43 -13.994 2.326 -0.481 328 HE2 LYS 43 2HE LYS 43 -14.787 0.876 -2.312 329 HE3 LYS 43 3HE LYS 43 -14.288 -0.537 -1.383 330 HZ1 LYS 43 3HZ LYS 43 -16.364 1.445 -0.621 331 HZ2 LYS 43 1HZ LYS 43 -15.829 0.179 0.381 332 HZ3 LYS 43 2HZ LYS 43 -16.619 -0.167 -1.078 333 H VAL 44 HN VAL 44 -10.431 1.207 -3.522 334 HA VAL 44 HA VAL 44 -9.995 3.665 -5.072 335 HB VAL 44 HB VAL 44 -10.287 0.847 -6.125 336 HG11 VAL 44 1HG1 VAL 44 -9.310 3.392 -7.406 337 HG12 VAL 44 2HG1 VAL 44 -9.255 1.794 -8.154 338 HG13 VAL 44 3HG1 VAL 44 -10.808 2.533 -7.764 339 HG21 VAL 44 3HG2 VAL 44 -7.760 2.393 -5.595 340 HG22 VAL 44 1HG2 VAL 44 -8.323 0.981 -4.701 341 HG23 VAL 44 2HG2 VAL 44 -7.868 0.827 -6.398 342 H GLU 45 HN GLU 45 -11.832 4.775 -5.343 343 HA GLU 45 HA GLU 45 -14.395 3.505 -5.434 344 HB2 GLU 45 2HB GLU 45 -13.488 6.311 -6.088 345 HB3 GLU 45 3HB GLU 45 -15.171 5.799 -6.101 346 HG2 GLU 45 2HG GLU 45 -13.350 5.670 -3.709 347 HG3 GLU 45 3HG GLU 45 -14.530 6.944 -4.023 348 HA PRO 46 HA PRO 46 -14.444 2.215 -9.613 349 HB2 PRO 46 2HB PRO 46 -17.105 2.506 -10.196 350 HB3 PRO 46 3HB PRO 46 -16.437 1.170 -9.255 351 HG2 PRO 46 2HG PRO 46 -17.763 3.678 -8.308 352 HG3 PRO 46 3HG PRO 46 -17.952 2.016 -7.715 353 HD2 PRO 46 2HD PRO 46 -16.430 3.817 -6.423 354 HD3 PRO 46 3HD PRO 46 -15.990 2.099 -6.492 355 H ASP 47 HN ASP 47 -15.163 5.400 -8.736 356 HA ASP 47 HA ASP 47 -15.590 6.257 -11.503 357 HB2 ASP 47 2HB ASP 47 -16.262 8.404 -10.590 358 HB3 ASP 47 3HB ASP 47 -17.154 7.120 -9.785 359 H GLU 48 HN GLU 48 -13.138 5.675 -9.453 360 HA GLU 48 HA GLU 48 -11.405 7.628 -10.814 361 HB2 GLU 48 2HB GLU 48 -10.054 7.899 -8.824 362 HB3 GLU 48 3HB GLU 48 -11.722 8.302 -8.459 363 HG2 GLU 48 2HG GLU 48 -12.000 6.075 -7.438 364 HG3 GLU 48 3HG GLU 48 -10.291 5.759 -7.737 365 H SER 49 HN SER 49 -9.147 6.949 -11.004 366 HA SER 49 HA SER 49 -9.070 4.096 -11.526 367 HB2 SER 49 2HB SER 49 -6.911 4.809 -12.773 368 HB3 SER 49 3HB SER 49 -8.476 5.237 -13.462 369 HG SER 49 HG SER 49 -7.684 7.184 -13.434 370 H GLN 50 HN GLN 50 -6.810 3.068 -11.274 371 HA GLN 50 HA GLN 50 -6.439 2.846 -8.511 372 HB2 GLN 50 2HB GLN 50 -4.715 1.886 -10.787 373 HB3 GLN 50 3HB GLN 50 -4.462 1.435 -9.106 374 HG2 GLN 50 2HG GLN 50 -6.767 0.502 -9.075 375 HG3 GLN 50 3HG GLN 50 -6.868 0.828 -10.805 376 HE21 GLN 50 1HE2 GLN 50 -7.120 -1.342 -11.284 377 HE22 GLN 50 2HE2 GLN 50 -5.797 -2.455 -11.215 378 H ARG 51 HN ARG 51 -4.172 4.273 -10.907 379 HA ARG 51 HA ARG 51 -2.283 5.092 -8.967 380 HB2 ARG 51 2HB ARG 51 -2.815 6.421 -11.631 381 HB3 ARG 51 3HB ARG 51 -1.351 6.546 -10.674 382 HG2 ARG 51 2HG ARG 51 -0.971 4.116 -11.027 383 HG3 ARG 51 3HG ARG 51 -2.365 4.103 -12.112 384 HD2 ARG 51 2HD ARG 51 -1.261 5.828 -13.493 385 HD3 ARG 51 3HD ARG 51 0.144 5.747 -12.434 386 HE ARG 51 HE ARG 51 -0.649 3.233 -13.652 387 HH11 ARG 51 2HH1 ARG 51 1.416 6.059 -13.817 388 HH12 ARG 51 1HH1 ARG 51 2.531 5.336 -14.938 389 HH21 ARG 51 2HH2 ARG 51 0.805 2.285 -15.124 390 HH22 ARG 51 1HH2 ARG 51 2.187 3.182 -15.681 391 H GLN 52 HN GLN 52 -5.199 6.469 -10.212 392 HA GLN 52 HA GLN 52 -4.789 9.141 -9.361 393 HB2 GLN 52 2HB GLN 52 -6.307 8.484 -11.183 394 HB3 GLN 52 3HB GLN 52 -7.319 7.627 -10.032 395 HG2 GLN 52 2HG GLN 52 -7.997 9.629 -9.003 396 HG3 GLN 52 3HG GLN 52 -6.790 10.575 -9.879 397 HE21 GLN 52 1HE2 GLN 52 -9.881 9.095 -9.972 398 HE22 GLN 52 2HE2 GLN 52 -10.361 9.671 -11.533 399 H ALA 53 HN ALA 53 -6.498 6.342 -8.045 400 HA ALA 53 HA ALA 53 -7.592 7.557 -5.776 401 HB1 ALA 53 1HB ALA 53 -6.679 4.696 -6.085 402 HB2 ALA 53 2HB ALA 53 -7.800 5.309 -4.869 403 HB3 ALA 53 3HB ALA 53 -8.250 5.333 -6.575 404 H LEU 54 HN LEU 54 -4.449 5.923 -6.224 405 HA LEU 54 HA LEU 54 -3.564 6.186 -3.575 406 HB2 LEU 54 2HB LEU 54 -2.138 5.943 -6.200 407 HB3 LEU 54 3HB LEU 54 -1.239 6.199 -4.720 408 HG LEU 54 HG LEU 54 -3.054 3.861 -5.296 409 HD11 LEU 54 1HD1 LEU 54 -0.973 3.755 -6.545 410 HD12 LEU 54 2HD1 LEU 54 -0.054 4.058 -5.071 411 HD13 LEU 54 3HD1 LEU 54 -0.971 2.563 -5.244 412 HD21 LEU 54 3HD2 LEU 54 -2.077 2.990 -3.161 413 HD22 LEU 54 1HD2 LEU 54 -1.435 4.607 -2.873 414 HD23 LEU 54 2HD2 LEU 54 -3.174 4.356 -2.969 415 H VAL 55 HN VAL 55 -3.194 8.306 -6.365 416 HA VAL 55 HA VAL 55 -1.494 10.183 -5.165 417 HB VAL 55 HB VAL 55 -3.418 10.454 -7.477 418 HG11 VAL 55 1HG1 VAL 55 -3.058 12.654 -6.428 419 HG12 VAL 55 2HG1 VAL 55 -1.316 12.426 -6.576 420 HG13 VAL 55 3HG1 VAL 55 -2.313 12.553 -8.025 421 HG21 VAL 55 3HG2 VAL 55 -1.354 10.395 -8.802 422 HG22 VAL 55 1HG2 VAL 55 -0.418 10.186 -7.323 423 HG23 VAL 55 2HG2 VAL 55 -1.554 8.936 -7.830 424 H ARG 56 HN ARG 56 -5.065 10.100 -5.359 425 HA ARG 56 HA ARG 56 -5.295 12.565 -3.949 426 HB2 ARG 56 2HB ARG 56 -7.703 12.043 -3.742 427 HB3 ARG 56 3HB ARG 56 -7.107 11.965 -5.389 428 HG2 ARG 56 2HG ARG 56 -8.453 10.127 -5.310 429 HG3 ARG 56 3HG ARG 56 -6.891 9.425 -4.893 430 HD2 ARG 56 2HD ARG 56 -8.534 8.547 -3.419 431 HD3 ARG 56 3HD ARG 56 -7.477 9.608 -2.511 432 HE ARG 56 HE ARG 56 -9.272 11.274 -2.568 433 HH11 ARG 56 2HH1 ARG 56 -10.119 7.958 -3.360 434 HH12 ARG 56 1HH1 ARG 56 -11.735 8.097 -2.755 435 HH21 ARG 56 2HH2 ARG 56 -11.423 11.459 -1.815 436 HH22 ARG 56 1HH2 ARG 56 -12.488 10.082 -1.892 437 H GLU 57 HN GLU 57 -5.536 9.168 -2.968 438 HA GLU 57 HA GLU 57 -6.318 9.656 -0.339 439 HB2 GLU 57 2HB GLU 57 -4.835 7.347 -1.574 440 HB3 GLU 57 3HB GLU 57 -5.298 7.362 0.121 441 HG2 GLU 57 2HG GLU 57 -7.246 7.681 -2.148 442 HG3 GLU 57 3HG GLU 57 -6.853 6.137 -1.396 443 H LEU 58 HN LEU 58 -3.030 9.359 -1.681 444 HA LEU 58 HA LEU 58 -1.778 9.580 0.870 445 HB2 LEU 58 2HB LEU 58 -0.539 10.350 -1.749 446 HB3 LEU 58 3HB LEU 58 0.290 9.903 -0.280 447 HG LEU 58 HG LEU 58 -1.336 8.067 -2.021 448 HD11 LEU 58 1HD1 LEU 58 0.826 8.654 -2.978 449 HD12 LEU 58 2HD1 LEU 58 1.623 8.181 -1.476 450 HD13 LEU 58 3HD1 LEU 58 0.798 6.970 -2.457 451 HD21 LEU 58 3HD2 LEU 58 -1.547 7.502 0.352 452 HD22 LEU 58 1HD2 LEU 58 -0.650 6.283 -0.552 453 HD23 LEU 58 2HD2 LEU 58 0.211 7.429 0.476 454 H ARG 59 HN ARG 59 -2.833 11.940 -1.541 455 HA ARG 59 HA ARG 59 -1.671 14.145 -0.228 456 HB2 ARG 59 2HB ARG 59 -2.536 14.310 -2.519 457 HB3 ARG 59 3HB ARG 59 -4.177 14.087 -1.918 458 HG2 ARG 59 2HG ARG 59 -4.104 16.149 -0.733 459 HG3 ARG 59 3HG ARG 59 -2.384 16.345 -1.066 460 HD2 ARG 59 2HD ARG 59 -2.980 16.413 -3.513 461 HD3 ARG 59 3HD ARG 59 -4.673 16.498 -3.017 462 HE ARG 59 HE ARG 59 -3.821 18.533 -1.661 463 HH11 ARG 59 2HH1 ARG 59 -2.899 17.619 -4.912 464 HH12 ARG 59 1HH1 ARG 59 -2.305 19.200 -5.334 465 HH21 ARG 59 2HH2 ARG 59 -3.056 20.620 -2.206 466 HH22 ARG 59 1HH2 ARG 59 -2.410 20.905 -3.795 467 H GLU 60 HN GLU 60 -4.757 12.483 0.206 468 HA GLU 60 HA GLU 60 -5.714 14.461 2.030 469 HB2 GLU 60 2HB GLU 60 -6.808 11.703 1.452 470 HB3 GLU 60 3HB GLU 60 -7.662 13.011 2.270 471 HG2 GLU 60 2HG GLU 60 -7.416 14.373 0.207 472 HG3 GLU 60 3HG GLU 60 -6.722 12.971 -0.588 473 H GLU 61 HN GLU 61 -4.212 11.268 2.400 474 HA GLU 61 HA GLU 61 -4.325 11.560 5.296 475 HB2 GLU 61 2HB GLU 61 -3.228 9.428 3.502 476 HB3 GLU 61 3HB GLU 61 -2.707 9.520 5.177 477 HG2 GLU 61 2HG GLU 61 -5.363 9.636 5.508 478 HG3 GLU 61 3HG GLU 61 -5.253 8.652 4.046 479 H LEU 62 HN LEU 62 -1.777 11.580 2.781 480 HA LEU 62 HA LEU 62 0.156 12.095 4.930 481 HB2 LEU 62 2HB LEU 62 0.780 11.339 2.089 482 HB3 LEU 62 3HB LEU 62 1.840 11.257 3.482 483 HG LEU 62 HG LEU 62 -0.561 9.495 2.958 484 HD11 LEU 62 1HD1 LEU 62 1.103 7.730 2.746 485 HD12 LEU 62 2HD1 LEU 62 1.374 9.006 1.557 486 HD13 LEU 62 3HD1 LEU 62 2.395 8.905 2.992 487 HD21 LEU 62 3HD2 LEU 62 1.398 9.485 5.260 488 HD22 LEU 62 1HD2 LEU 62 -0.307 9.924 5.348 489 HD23 LEU 62 2HD2 LEU 62 0.159 8.268 4.957 490 H GLY 63 HN GLY 63 -1.628 14.050 3.176 491 HA2 GLY 63 2HA GLY 63 -1.386 15.966 1.930 492 HA3 GLY 63 3HA GLY 63 -0.228 16.321 3.193 493 H ILE 64 HN ILE 64 0.226 13.844 0.676 494 HA ILE 64 HA ILE 64 2.309 15.596 -0.445 495 HB ILE 64 HB ILE 64 3.695 13.636 -0.957 496 HG12 ILE 64 2HG1 ILE 64 1.729 12.102 0.766 497 HG13 ILE 64 3HG1 ILE 64 1.925 11.919 -0.974 498 HG21 ILE 64 1HG2 ILE 64 3.056 13.950 1.964 499 HG22 ILE 64 2HG2 ILE 64 4.535 13.250 1.302 500 HG23 ILE 64 3HG2 ILE 64 4.155 14.952 1.018 501 HD11 ILE 64 3HD1 ILE 64 4.032 11.327 1.098 502 HD12 ILE 64 1HD1 ILE 64 3.044 10.136 0.254 503 HD13 ILE 64 2HD1 ILE 64 4.201 11.118 -0.645 504 H GLU 65 HN GLU 65 2.626 15.615 -2.595 505 HA GLU 65 HA GLU 65 0.546 14.447 -4.272 506 HB2 GLU 65 2HB GLU 65 2.865 16.245 -5.021 507 HB3 GLU 65 3HB GLU 65 1.503 15.825 -6.049 508 HG2 GLU 65 2HG GLU 65 -0.005 17.062 -4.663 509 HG3 GLU 65 3HG GLU 65 1.260 17.348 -3.465 510 H ALA 66 HN ALA 66 1.004 12.292 -4.455 511 HA ALA 66 HA ALA 66 3.742 11.440 -4.890 512 HB1 ALA 66 1HB ALA 66 2.892 9.186 -4.662 513 HB2 ALA 66 2HB ALA 66 2.300 10.195 -3.343 514 HB3 ALA 66 3HB ALA 66 1.233 9.784 -4.687 515 H THR 67 HN THR 67 4.409 10.148 -6.641 516 HA THR 67 HA THR 67 2.738 10.380 -9.055 517 HB THR 67 HB THR 67 5.759 10.217 -8.887 518 HG1 THR 67 1HG THR 67 4.439 12.256 -8.324 519 HG21 THR 67 3HG2 THR 67 4.879 9.185 -10.923 520 HG22 THR 67 1HG2 THR 67 5.694 10.704 -11.293 521 HG23 THR 67 2HG2 THR 67 3.933 10.636 -11.259 522 H VAL 68 HN VAL 68 1.806 8.476 -9.451 523 HA VAL 68 HA VAL 68 3.045 6.020 -8.510 524 HB VAL 68 HB VAL 68 0.450 6.331 -10.029 525 HG11 VAL 68 1HG1 VAL 68 1.331 4.079 -10.107 526 HG12 VAL 68 2HG1 VAL 68 1.546 4.074 -8.358 527 HG13 VAL 68 3HG1 VAL 68 -0.076 4.134 -9.045 528 HG21 VAL 68 3HG2 VAL 68 0.943 6.255 -7.053 529 HG22 VAL 68 1HG2 VAL 68 0.322 7.618 -7.987 530 HG23 VAL 68 2HG2 VAL 68 -0.642 6.152 -7.820 531 H GLY 69 HN GLY 69 4.295 4.756 -9.741 532 HA2 GLY 69 2HA GLY 69 4.235 5.247 -12.650 533 HA3 GLY 69 3HA GLY 69 5.741 5.120 -11.757 534 H GLU 70 HN GLU 70 6.249 3.053 -10.769 535 HA GLU 70 HA GLU 70 5.576 0.973 -12.678 536 HB2 GLU 70 2HB GLU 70 7.489 -0.233 -11.663 537 HB3 GLU 70 3HB GLU 70 7.917 1.355 -12.284 538 HG2 GLU 70 2HG GLU 70 7.764 2.253 -9.990 539 HG3 GLU 70 3HG GLU 70 7.455 0.617 -9.408 540 H TYR 71 HN TYR 71 4.446 -0.794 -12.276 541 HA TYR 71 HA TYR 71 3.020 -1.064 -9.809 542 HB2 TYR 71 2HB TYR 71 3.105 -2.854 -12.247 543 HB3 TYR 71 3HB TYR 71 1.911 -2.908 -10.966 544 HD1 TYR 71 1HD TYR 71 0.705 -0.527 -10.557 545 HD2 TYR 71 2HD TYR 71 2.494 -1.809 -14.197 546 HE1 TYR 71 1HE TYR 71 -0.709 1.050 -11.801 547 HE2 TYR 71 2HE TYR 71 1.090 -0.228 -15.449 548 HH TYR 71 HH TYR 71 -1.104 0.915 -15.146 549 H VAL 72 HN VAL 72 3.474 -2.441 -8.138 550 HA VAL 72 HA VAL 72 5.835 -4.156 -8.375 551 HB VAL 72 HB VAL 72 4.152 -3.438 -5.965 552 HG11 VAL 72 1HG1 VAL 72 5.099 -5.654 -5.663 553 HG12 VAL 72 2HG1 VAL 72 6.699 -5.051 -6.107 554 HG13 VAL 72 3HG1 VAL 72 5.924 -4.491 -4.625 555 HG21 VAL 72 3HG2 VAL 72 6.922 -2.557 -6.765 556 HG22 VAL 72 1HG2 VAL 72 5.459 -1.573 -6.819 557 HG23 VAL 72 2HG2 VAL 72 6.089 -2.130 -5.270 558 H ALA 73 HN ALA 73 2.731 -4.589 -6.669 559 HA ALA 73 HA ALA 73 2.073 -6.967 -8.157 560 HB1 ALA 73 1HB ALA 73 2.934 -7.289 -5.284 561 HB2 ALA 73 2HB ALA 73 2.263 -8.550 -6.318 562 HB3 ALA 73 3HB ALA 73 3.834 -7.843 -6.694 563 H SER 74 HN SER 74 0.262 -8.194 -6.839 564 HA SER 74 HA SER 74 -1.384 -6.382 -5.256 565 HB2 SER 74 2HB SER 74 -2.332 -7.694 -7.820 566 HB3 SER 74 3HB SER 74 -3.396 -6.919 -6.645 567 HG SER 74 HG SER 74 -1.232 -5.426 -7.548 568 H HIS 75 HN HIS 75 -2.979 -7.500 -3.989 569 HA HIS 75 HA HIS 75 -2.781 -10.427 -4.020 570 HB2 HIS 75 2HB HIS 75 -1.191 -9.371 -2.305 571 HB3 HIS 75 3HB HIS 75 -2.647 -8.931 -1.415 572 HD1 HIS 75 1HD HIS 75 -0.612 -11.904 -2.465 573 HD2 HIS 75 2HD HIS 75 -3.947 -11.043 -0.129 574 HE1 HIS 75 1HE HIS 75 -1.137 -14.027 -1.213 575 HE2 HIS 75 2HE HIS 75 -3.279 -13.538 0.025 576 H GLN 76 HN GLN 76 -4.611 -11.500 -3.240 577 HA GLN 76 HA GLN 76 -6.945 -9.760 -2.789 578 HB2 GLN 76 2HB GLN 76 -6.680 -12.433 -4.128 579 HB3 GLN 76 3HB GLN 76 -8.227 -11.878 -3.507 580 HG2 GLN 76 2HG GLN 76 -8.129 -9.930 -4.933 581 HG3 GLN 76 3HG GLN 76 -6.546 -10.429 -5.534 582 HE21 GLN 76 1HE2 GLN 76 -9.031 -9.989 -7.002 583 HE22 GLN 76 2HE2 GLN 76 -9.384 -11.479 -7.807 584 H ARG 77 HN ARG 77 -8.311 -10.130 -1.162 585 HA ARG 77 HA ARG 77 -8.225 -12.567 0.382 586 HB2 ARG 77 2HB ARG 77 -7.778 -11.584 2.526 587 HB3 ARG 77 3HB ARG 77 -6.463 -11.100 1.464 588 HG2 ARG 77 2HG ARG 77 -7.353 -8.903 1.239 589 HG3 ARG 77 3HG ARG 77 -8.849 -9.366 2.050 590 HD2 ARG 77 2HD ARG 77 -7.436 -9.900 4.078 591 HD3 ARG 77 3HD ARG 77 -6.099 -9.106 3.246 592 HE ARG 77 HE ARG 77 -7.873 -7.173 3.142 593 HH11 ARG 77 2HH1 ARG 77 -7.130 -9.317 5.804 594 HH12 ARG 77 1HH1 ARG 77 -7.650 -8.191 7.030 595 HH21 ARG 77 2HH2 ARG 77 -8.578 -5.685 4.761 596 HH22 ARG 77 1HH2 ARG 77 -8.498 -6.141 6.432 597 H GLU 78 HN GLU 78 -10.040 -12.271 2.206 598 HA GLU 78 HA GLU 78 -12.093 -10.549 1.002 599 HB2 GLU 78 2HB GLU 78 -13.791 -12.114 1.402 600 HB3 GLU 78 3HB GLU 78 -12.460 -13.057 0.748 601 HG2 GLU 78 2HG GLU 78 -11.940 -13.962 2.856 602 HG3 GLU 78 3HG GLU 78 -12.957 -12.789 3.691 603 H VAL 79 HN VAL 79 -13.548 -9.554 2.323 604 HA VAL 79 HA VAL 79 -12.984 -9.631 5.198 605 HB VAL 79 HB VAL 79 -12.228 -7.472 4.505 606 HG11 VAL 79 1HG1 VAL 79 -14.873 -7.146 3.101 607 HG12 VAL 79 2HG1 VAL 79 -13.673 -5.869 3.307 608 HG13 VAL 79 3HG1 VAL 79 -13.287 -7.296 2.343 609 HG21 VAL 79 3HG2 VAL 79 -13.715 -5.979 5.737 610 HG22 VAL 79 1HG2 VAL 79 -14.976 -7.212 5.710 611 HG23 VAL 79 2HG2 VAL 79 -13.472 -7.505 6.586 612 H SER 80 HN SER 80 -14.547 -11.040 5.734 613 HA SER 80 HA SER 80 -16.549 -12.091 5.857 614 HB2 SER 80 2HB SER 80 -18.440 -10.552 6.556 615 HB3 SER 80 3HB SER 80 -16.970 -10.451 7.521 616 HG SER 80 HG SER 80 -16.964 -8.733 5.395 617 H GLY 81 HN GLY 81 -16.234 -12.591 3.472 618 HA2 GLY 81 2HA GLY 81 -17.533 -13.224 1.677 619 HA3 GLY 81 3HA GLY 81 -18.789 -12.122 2.211 620 H ARG 82 HN ARG 82 -16.550 -9.957 2.225 621 HA ARG 82 HA ARG 82 -16.926 -9.290 -0.603 622 HB2 ARG 82 2HB ARG 82 -15.708 -7.515 1.504 623 HB3 ARG 82 3HB ARG 82 -16.413 -7.044 -0.035 624 HG2 ARG 82 2HG ARG 82 -18.623 -7.723 0.794 625 HG3 ARG 82 3HG ARG 82 -17.892 -8.121 2.352 626 HD2 ARG 82 2HD ARG 82 -17.000 -5.691 2.271 627 HD3 ARG 82 3HD ARG 82 -18.257 -5.452 1.055 628 HE ARG 82 HE ARG 82 -19.362 -6.708 3.329 629 HH11 ARG 82 2HH1 ARG 82 -18.218 -3.582 2.215 630 HH12 ARG 82 1HH1 ARG 82 -19.076 -2.699 3.444 631 HH21 ARG 82 2HH2 ARG 82 -20.467 -5.541 4.948 632 HH22 ARG 82 1HH2 ARG 82 -20.322 -3.813 5.013 633 H ILE 83 HN ILE 83 -15.265 -9.115 -2.026 634 HA ILE 83 HA ILE 83 -12.738 -10.252 -1.084 635 HB ILE 83 HB ILE 83 -14.042 -10.122 -3.781 636 HG12 ILE 83 2HG1 ILE 83 -13.464 -12.509 -3.806 637 HG13 ILE 83 3HG1 ILE 83 -12.621 -12.329 -2.271 638 HG21 ILE 83 1HG2 ILE 83 -11.785 -9.252 -4.156 639 HG22 ILE 83 2HG2 ILE 83 -11.108 -10.660 -3.336 640 HG23 ILE 83 3HG2 ILE 83 -11.978 -10.859 -4.858 641 HD11 ILE 83 3HD1 ILE 83 -15.568 -12.011 -2.744 642 HD12 ILE 83 1HD1 ILE 83 -14.765 -13.346 -1.921 643 HD13 ILE 83 2HD1 ILE 83 -14.754 -11.735 -1.206 644 H ILE 84 HN ILE 84 -11.238 -8.887 -0.510 645 HA ILE 84 HA ILE 84 -11.143 -6.233 -1.696 646 HB ILE 84 HB ILE 84 -8.948 -6.664 0.085 647 HG12 ILE 84 2HG1 ILE 84 -11.617 -7.660 1.020 648 HG13 ILE 84 3HG1 ILE 84 -10.013 -8.332 1.319 649 HG21 ILE 84 1HG2 ILE 84 -9.862 -4.781 1.230 650 HG22 ILE 84 2HG2 ILE 84 -10.062 -4.526 -0.506 651 HG23 ILE 84 3HG2 ILE 84 -11.440 -5.032 0.483 652 HD11 ILE 84 3HD1 ILE 84 -11.115 -5.783 2.487 653 HD12 ILE 84 1HD1 ILE 84 -10.937 -7.337 3.327 654 HD13 ILE 84 2HD1 ILE 84 -9.506 -6.459 2.792 655 H HIS 85 HN HIS 85 -9.716 -5.569 -3.097 656 HA HIS 85 HA HIS 85 -7.615 -7.458 -3.937 657 HB2 HIS 85 2HB HIS 85 -9.591 -7.027 -5.504 658 HB3 HIS 85 3HB HIS 85 -8.965 -5.393 -5.677 659 HD1 HIS 85 1HD HIS 85 -8.760 -6.017 -8.233 660 HD2 HIS 85 2HD HIS 85 -6.229 -8.098 -5.674 661 HE1 HIS 85 1HE HIS 85 -7.020 -7.082 -9.714 662 HE2 HIS 85 2HE HIS 85 -5.600 -8.472 -8.159 663 H LEU 86 HN LEU 86 -5.875 -6.639 -2.861 664 HA LEU 86 HA LEU 86 -5.493 -3.758 -2.761 665 HB2 LEU 86 2HB LEU 86 -4.211 -6.071 -1.367 666 HB3 LEU 86 3HB LEU 86 -3.389 -4.526 -1.421 667 HG LEU 86 HG LEU 86 -5.631 -3.591 -0.476 668 HD11 LEU 86 1HD1 LEU 86 -6.803 -5.173 0.973 669 HD12 LEU 86 2HD1 LEU 86 -6.940 -5.611 -0.730 670 HD13 LEU 86 3HD1 LEU 86 -5.827 -6.488 0.319 671 HD21 LEU 86 3HD2 LEU 86 -3.714 -5.219 1.178 672 HD22 LEU 86 1HD2 LEU 86 -3.529 -3.527 0.708 673 HD23 LEU 86 2HD2 LEU 86 -4.826 -4.002 1.805 674 H HIS 87 HN HIS 87 -4.132 -2.658 -3.946 675 HA HIS 87 HA HIS 87 -2.271 -4.133 -5.704 676 HB2 HIS 87 2HB HIS 87 -3.411 -1.363 -6.133 677 HB3 HIS 87 3HB HIS 87 -2.464 -2.303 -7.278 678 HD1 HIS 87 1HD HIS 87 -3.706 -4.281 -8.481 679 HD2 HIS 87 2HD HIS 87 -6.118 -1.885 -6.090 680 HE1 HIS 87 1HE HIS 87 -6.068 -4.780 -9.185 681 HE2 HIS 87 2HE HIS 87 -7.501 -3.178 -7.857 682 H ALA 88 HN ALA 88 -0.212 -3.952 -4.945 683 HA ALA 88 HA ALA 88 0.535 -1.538 -3.468 684 HB1 ALA 88 1HB ALA 88 1.183 -3.669 -2.472 685 HB2 ALA 88 2HB ALA 88 2.084 -4.093 -3.929 686 HB3 ALA 88 3HB ALA 88 2.612 -2.740 -2.929 687 H TRP 89 HN TRP 89 1.043 0.104 -4.765 688 HA TRP 89 HA TRP 89 2.675 -0.466 -7.149 689 HB2 TRP 89 2HB TRP 89 0.909 1.930 -6.600 690 HB3 TRP 89 3HB TRP 89 1.860 1.676 -8.054 691 HD1 TRP 89 1HD TRP 89 -1.388 2.006 -7.881 692 HE1 TRP 89 1HE TRP 89 -2.842 0.205 -9.015 693 HE3 TRP 89 3HE TRP 89 2.004 -1.828 -8.060 694 HZ2 TRP 89 2HZ TRP 89 -2.595 -2.457 -9.860 695 HZ3 TRP 89 3HZ TRP 89 1.301 -3.969 -9.047 696 HH2 TRP 89 2HH TRP 89 -0.952 -4.275 -9.927 697 H HIS 90 HN HIS 90 4.545 0.714 -7.524 698 HA HIS 90 HA HIS 90 5.703 1.861 -5.109 699 HB2 HIS 90 2HB HIS 90 6.982 0.155 -6.322 700 HB3 HIS 90 3HB HIS 90 6.942 1.140 -7.777 701 HD1 HIS 90 1HD HIS 90 9.062 2.348 -8.170 702 HD2 HIS 90 2HD HIS 90 8.373 1.718 -4.119 703 HE1 HIS 90 1HE HIS 90 11.050 3.313 -6.991 704 HE2 HIS 90 2HE HIS 90 10.757 2.620 -4.594 705 H VAL 91 HN VAL 91 5.555 3.986 -4.790 706 HA VAL 91 HA VAL 91 5.434 5.767 -7.103 707 HB VAL 91 HB VAL 91 5.043 7.577 -5.393 708 HG11 VAL 91 1HG1 VAL 91 2.714 6.959 -5.012 709 HG12 VAL 91 2HG1 VAL 91 3.222 6.533 -6.646 710 HG13 VAL 91 3HG1 VAL 91 3.085 5.281 -5.411 711 HG21 VAL 91 3HG2 VAL 91 4.301 6.864 -3.152 712 HG22 VAL 91 1HG2 VAL 91 4.809 5.218 -3.527 713 HG23 VAL 91 2HG2 VAL 91 6.004 6.511 -3.439 714 HA PRO 92 HA PRO 92 9.867 5.957 -6.531 715 HB2 PRO 92 2HB PRO 92 10.415 7.284 -8.824 716 HB3 PRO 92 3HB PRO 92 10.012 5.565 -8.791 717 HG2 PRO 92 2HG PRO 92 8.258 7.909 -9.425 718 HG3 PRO 92 3HG PRO 92 8.385 6.349 -10.259 719 HD2 PRO 92 2HD PRO 92 6.403 6.904 -8.497 720 HD3 PRO 92 3HD PRO 92 7.063 5.271 -8.713 721 H ASP 93 HN ASP 93 7.652 8.566 -6.667 722 HA ASP 93 HA ASP 93 9.441 10.233 -5.172 723 HB2 ASP 93 2HB ASP 93 10.073 10.659 -7.596 724 HB3 ASP 93 3HB ASP 93 8.480 11.388 -7.788 725 H PHE 94 HN PHE 94 8.452 12.024 -4.224 726 HA PHE 94 HA PHE 94 5.595 12.402 -4.610 727 HB2 PHE 94 2HB PHE 94 5.136 12.222 -2.191 728 HB3 PHE 94 3HB PHE 94 5.719 10.697 -2.845 729 HD1 PHE 94 2HD PHE 94 8.062 9.988 -2.397 730 HD2 PHE 94 1HD PHE 94 6.307 13.357 -0.483 731 HE1 PHE 94 2HE PHE 94 9.828 9.930 -0.686 732 HE2 PHE 94 1HE PHE 94 8.065 13.303 1.233 733 HZ PHE 94 HZ PHE 94 9.830 11.590 1.133 734 H HIS 95 HN HIS 95 4.957 14.494 -4.201 735 HA HIS 95 HA HIS 95 7.122 16.334 -3.429 736 HB2 HIS 95 2HB HIS 95 6.174 16.624 -5.711 737 HB3 HIS 95 3HB HIS 95 4.599 16.936 -4.988 738 HD1 HIS 95 1HD HIS 95 4.070 19.328 -4.611 739 HD2 HIS 95 2HD HIS 95 8.174 18.644 -4.815 740 HE1 HIS 95 1HE HIS 95 5.154 21.597 -4.463 741 HE2 HIS 95 2HE HIS 95 7.633 21.143 -4.415 742 H GLY 96 HN GLY 96 6.975 17.334 -1.531 743 HA2 GLY 96 2HA GLY 96 5.456 18.854 -0.241 744 HA3 GLY 96 3HA GLY 96 4.297 17.536 -0.294 745 H THR 97 HN THR 97 4.368 17.881 2.073 746 HA THR 97 HA THR 97 6.655 16.490 3.301 747 HB THR 97 HB THR 97 4.791 18.436 4.680 748 HG1 THR 97 1HG THR 97 6.027 19.538 3.088 749 HG21 THR 97 3HG2 THR 97 6.549 18.482 6.396 750 HG22 THR 97 1HG2 THR 97 7.475 17.296 5.475 751 HG23 THR 97 2HG2 THR 97 5.915 16.851 6.165 752 H LEU 98 HN LEU 98 6.145 14.527 4.037 753 HA LEU 98 HA LEU 98 3.421 13.671 3.844 754 HB2 LEU 98 2HB LEU 98 4.400 11.458 4.697 755 HB3 LEU 98 3HB LEU 98 4.836 12.026 3.100 756 HG LEU 98 HG LEU 98 6.881 13.057 4.506 757 HD11 LEU 98 1HD1 LEU 98 6.174 10.494 5.932 758 HD12 LEU 98 2HD1 LEU 98 7.657 11.427 6.135 759 HD13 LEU 98 3HD1 LEU 98 6.111 12.112 6.629 760 HD21 LEU 98 3HD2 LEU 98 6.750 10.216 3.523 761 HD22 LEU 98 1HD2 LEU 98 6.905 11.634 2.482 762 HD23 LEU 98 2HD2 LEU 98 8.182 11.240 3.640 763 H GLN 99 HN GLN 99 1.973 13.566 5.303 764 HA GLN 99 HA GLN 99 2.736 13.810 8.129 765 HB2 GLN 99 2HB GLN 99 0.943 15.362 8.480 766 HB3 GLN 99 3HB GLN 99 1.849 15.937 7.076 767 HG2 GLN 99 2HG GLN 99 0.165 14.962 5.597 768 HG3 GLN 99 3HG GLN 99 -0.747 14.407 7.000 769 HE21 GLN 99 1HE2 GLN 99 -1.817 15.903 8.288 770 HE22 GLN 99 2HE2 GLN 99 -2.153 17.509 7.735 771 H ALA 100 HN ALA 100 1.105 12.865 9.604 772 HA ALA 100 HA ALA 100 -0.390 10.722 8.246 773 HB1 ALA 100 1HB ALA 100 1.265 9.934 9.842 774 HB2 ALA 100 2HB ALA 100 0.507 10.885 11.120 775 HB3 ALA 100 3HB ALA 100 -0.365 9.540 10.384 776 H HIS 101 HN HIS 101 -2.432 11.376 7.856 777 HA HIS 101 HA HIS 101 -3.784 13.078 9.778 778 HB2 HIS 101 2HB HIS 101 -3.994 13.481 7.319 779 HB3 HIS 101 3HB HIS 101 -4.846 11.948 7.180 780 HD1 HIS 101 1HD HIS 101 -7.281 12.332 6.978 781 HD2 HIS 101 2HD HIS 101 -5.478 15.101 9.514 782 HE1 HIS 101 1HE HIS 101 -9.146 13.793 7.834 783 HE2 HIS 101 2HE HIS 101 -8.053 15.366 9.476 784 H GLU 102 HN GLU 102 -4.487 9.964 8.171 785 HA GLU 102 HA GLU 102 -6.364 9.304 10.280 786 HB2 GLU 102 2HB GLU 102 -5.569 8.010 7.696 787 HB3 GLU 102 3HB GLU 102 -6.488 7.110 8.904 788 HG2 GLU 102 2HG GLU 102 -8.041 9.233 8.807 789 HG3 GLU 102 3HG GLU 102 -7.304 9.412 7.214 790 H HIS 103 HN HIS 103 -3.398 7.901 8.907 791 HA HIS 103 HA HIS 103 -3.069 6.028 11.035 792 HB2 HIS 103 2HB HIS 103 -1.128 7.058 8.950 793 HB3 HIS 103 3HB HIS 103 -0.738 5.788 10.102 794 HD1 HIS 103 1HD HIS 103 -3.111 6.466 7.194 795 HD2 HIS 103 2HD HIS 103 -1.540 3.265 9.365 796 HE1 HIS 103 1HE HIS 103 -3.828 4.383 5.977 797 HE2 HIS 103 2HE HIS 103 -2.950 2.455 7.339 798 H GLN 104 HN GLN 104 -1.039 6.085 12.475 799 HA GLN 104 HA GLN 104 -1.265 8.586 13.931 800 HB2 GLN 104 2HB GLN 104 -1.499 6.439 15.111 801 HB3 GLN 104 3HB GLN 104 0.155 6.025 14.678 802 HG2 GLN 104 2HG GLN 104 0.126 6.791 16.939 803 HG3 GLN 104 3HG GLN 104 0.934 8.005 15.947 804 HE21 GLN 104 1HE2 GLN 104 0.548 9.709 17.279 805 HE22 GLN 104 2HE2 GLN 104 -1.032 10.363 17.567 806 H ALA 105 HN ALA 105 1.531 6.522 13.057 807 HA ALA 105 HA ALA 105 3.125 8.980 12.805 808 HB1 ALA 105 1HB ALA 105 3.995 6.482 14.253 809 HB2 ALA 105 2HB ALA 105 4.976 7.923 13.986 810 HB3 ALA 105 3HB ALA 105 3.543 8.008 15.011 811 H LEU 106 HN LEU 106 5.315 8.480 11.751 812 HA LEU 106 HA LEU 106 4.946 6.482 9.621 813 HB2 LEU 106 2HB LEU 106 6.249 9.205 9.403 814 HB3 LEU 106 3HB LEU 106 6.215 8.003 8.136 815 HG LEU 106 HG LEU 106 4.607 9.550 7.506 816 HD11 LEU 106 1HD1 LEU 106 3.124 7.379 8.962 817 HD12 LEU 106 2HD1 LEU 106 2.452 8.418 7.706 818 HD13 LEU 106 3HD1 LEU 106 3.762 7.302 7.320 819 HD21 LEU 106 3HD2 LEU 106 3.538 9.553 10.324 820 HD22 LEU 106 1HD2 LEU 106 4.520 10.820 9.586 821 HD23 LEU 106 2HD2 LEU 106 2.902 10.485 8.968 822 H VAL 107 HN VAL 107 6.690 5.165 9.246 823 HA VAL 107 HA VAL 107 9.288 6.025 10.322 824 HB VAL 107 HB VAL 107 8.249 4.349 11.857 825 HG11 VAL 107 1HG1 VAL 107 8.170 2.004 11.189 826 HG12 VAL 107 2HG1 VAL 107 7.070 2.989 10.224 827 HG13 VAL 107 3HG1 VAL 107 8.607 2.454 9.540 828 HG21 VAL 107 3HG2 VAL 107 10.794 3.529 10.466 829 HG22 VAL 107 1HG2 VAL 107 10.641 4.640 11.829 830 HG23 VAL 107 2HG2 VAL 107 10.258 2.931 12.036 831 H TRP 108 HN TRP 108 11.015 5.656 9.049 832 HA TRP 108 HA TRP 108 10.544 4.391 6.451 833 HB2 TRP 108 2HB TRP 108 12.868 6.043 7.469 834 HB3 TRP 108 3HB TRP 108 12.772 5.341 5.859 835 HD1 TRP 108 1HD TRP 108 11.678 8.314 7.874 836 HE1 TRP 108 1HE TRP 108 10.391 9.951 6.364 837 HE3 TRP 108 3HE TRP 108 11.101 5.329 3.767 838 HZ2 TRP 108 2HZ TRP 108 9.273 9.967 3.765 839 HZ3 TRP 108 3HZ TRP 108 9.910 6.228 1.812 840 HH2 TRP 108 2HH TRP 108 9.015 8.498 1.811 841 H CYS 109 HN CYS 109 11.014 2.295 6.287 842 HA CYS 109 HA CYS 109 13.587 1.417 7.367 843 HB2 CYS 109 2HB CYS 109 12.621 -0.729 8.121 844 HB3 CYS 109 3HB CYS 109 11.981 0.642 9.015 845 HG CYS 109 HG CYS 109 9.719 0.587 7.013 846 H SER 110 HN SER 110 14.406 -0.521 6.304 847 HA SER 110 HA SER 110 14.018 -0.300 3.478 848 HB2 SER 110 2HB SER 110 15.633 -2.382 4.965 849 HB3 SER 110 3HB SER 110 15.882 -1.793 3.319 850 HG SER 110 HG SER 110 17.349 -0.755 4.649 851 HA PRO 111 HA PRO 111 10.951 -3.273 2.457 852 HB2 PRO 111 2HB PRO 111 12.489 -5.077 0.906 853 HB3 PRO 111 3HB PRO 111 11.525 -3.718 0.322 854 HG2 PRO 111 2HG PRO 111 14.446 -3.882 0.861 855 HG3 PRO 111 3HG PRO 111 13.574 -2.934 -0.358 856 HD2 PRO 111 2HD PRO 111 14.610 -1.767 1.811 857 HD3 PRO 111 3HD PRO 111 13.035 -1.254 1.159 858 H GLU 112 HN GLU 112 14.039 -4.929 3.124 859 HA GLU 112 HA GLU 112 12.828 -7.359 3.917 860 HB2 GLU 112 2HB GLU 112 15.115 -7.857 4.858 861 HB3 GLU 112 3HB GLU 112 15.067 -7.445 3.150 862 HG2 GLU 112 2HG GLU 112 15.707 -5.114 3.778 863 HG3 GLU 112 3HG GLU 112 15.938 -5.688 5.429 864 H GLU 113 HN GLU 113 13.850 -4.500 5.682 865 HA GLU 113 HA GLU 113 13.525 -5.568 8.288 866 HB2 GLU 113 2HB GLU 113 13.433 -2.695 7.344 867 HB3 GLU 113 3HB GLU 113 13.609 -3.215 9.014 868 HG2 GLU 113 2HG GLU 113 15.573 -3.791 6.806 869 HG3 GLU 113 3HG GLU 113 15.727 -2.496 7.992 870 H ALA 114 HN ALA 114 11.427 -3.849 6.053 871 HA ALA 114 HA ALA 114 9.362 -3.092 7.760 872 HB1 ALA 114 1HB ALA 114 7.998 -2.869 5.780 873 HB2 ALA 114 2HB ALA 114 9.634 -2.310 5.434 874 HB3 ALA 114 3HB ALA 114 9.103 -3.893 4.864 875 H LEU 115 HN LEU 115 9.911 -6.162 6.145 876 HA LEU 115 HA LEU 115 7.286 -7.158 6.669 877 HB2 LEU 115 2HB LEU 115 9.273 -7.854 4.959 878 HB3 LEU 115 3HB LEU 115 9.453 -9.099 6.178 879 HG LEU 115 HG LEU 115 7.980 -9.606 4.135 880 HD11 LEU 115 1HD1 LEU 115 6.401 -10.912 5.453 881 HD12 LEU 115 2HD1 LEU 115 8.038 -11.036 6.102 882 HD13 LEU 115 3HD1 LEU 115 6.848 -10.004 6.898 883 HD21 LEU 115 3HD2 LEU 115 5.704 -8.865 4.197 884 HD22 LEU 115 1HD2 LEU 115 5.968 -8.008 5.713 885 HD23 LEU 115 2HD2 LEU 115 6.748 -7.444 4.233 886 H GLN 116 HN GLN 116 10.088 -6.815 8.572 887 HA GLN 116 HA GLN 116 9.381 -8.943 10.414 888 HB2 GLN 116 2HB GLN 116 11.469 -6.772 10.640 889 HB3 GLN 116 3HB GLN 116 11.279 -8.129 11.742 890 HG2 GLN 116 2HG GLN 116 11.692 -9.651 9.802 891 HG3 GLN 116 3HG GLN 116 12.087 -8.222 8.847 892 HE21 GLN 116 1HE2 GLN 116 13.078 -10.303 11.437 893 HE22 GLN 116 2HE2 GLN 116 14.714 -9.738 11.539 894 H TYR 117 HN TYR 117 8.333 -5.853 9.796 895 HA TYR 117 HA TYR 117 7.744 -5.129 12.543 896 HB2 TYR 117 2HB TYR 117 7.239 -3.867 9.862 897 HB3 TYR 117 3HB TYR 117 6.319 -3.332 11.262 898 HD1 TYR 117 1HD TYR 117 9.820 -3.820 10.082 899 HD2 TYR 117 2HD TYR 117 7.183 -1.703 12.656 900 HE1 TYR 117 1HE TYR 117 11.653 -2.306 10.707 901 HE2 TYR 117 2HE TYR 117 9.007 -0.187 13.293 902 HH TYR 117 HH TYR 117 11.408 -0.138 13.353 903 HA PRO 118 HA PRO 118 3.694 -6.985 12.584 904 HB2 PRO 118 2HB PRO 118 2.222 -5.160 13.959 905 HB3 PRO 118 3HB PRO 118 3.400 -6.226 14.735 906 HG2 PRO 118 2HG PRO 118 3.671 -3.358 13.936 907 HG3 PRO 118 3HG PRO 118 4.245 -4.173 15.402 908 HD2 PRO 118 2HD PRO 118 5.862 -3.584 13.287 909 HD3 PRO 118 3HD PRO 118 6.140 -4.968 14.364 910 H LEU 119 HN LEU 119 3.751 -6.532 10.206 911 HA LEU 119 HA LEU 119 2.261 -4.271 9.237 912 HB2 LEU 119 2HB LEU 119 3.345 -6.725 7.856 913 HB3 LEU 119 3HB LEU 119 2.492 -5.443 7.024 914 HG LEU 119 HG LEU 119 5.140 -5.171 8.462 915 HD11 LEU 119 1HD1 LEU 119 5.275 -6.388 6.349 916 HD12 LEU 119 2HD1 LEU 119 4.432 -5.073 5.531 917 HD13 LEU 119 3HD1 LEU 119 6.031 -4.800 6.221 918 HD21 LEU 119 3HD2 LEU 119 3.556 -3.130 6.902 919 HD22 LEU 119 1HD2 LEU 119 3.801 -3.132 8.648 920 HD23 LEU 119 2HD2 LEU 119 5.174 -2.904 7.566 921 H ALA 120 HN ALA 120 0.282 -4.365 8.117 922 HA ALA 120 HA ALA 120 -1.733 -5.982 9.198 923 HB1 ALA 120 1HB ALA 120 -3.156 -5.096 7.429 924 HB2 ALA 120 2HB ALA 120 -2.150 -3.817 8.109 925 HB3 ALA 120 3HB ALA 120 -1.734 -4.529 6.552 926 HA PRO 121 HA PRO 121 -1.380 -9.913 7.298 927 HB2 PRO 121 2HB PRO 121 -4.042 -10.380 6.627 928 HB3 PRO 121 3HB PRO 121 -3.297 -10.717 8.191 929 HG2 PRO 121 2HG PRO 121 -4.935 -8.374 7.333 930 HG3 PRO 121 3HG PRO 121 -4.917 -9.223 8.890 931 HD2 PRO 121 2HD PRO 121 -3.713 -6.852 8.584 932 HD3 PRO 121 3HD PRO 121 -2.996 -8.119 9.606 933 H ALA 122 HN ALA 122 -3.080 -7.404 5.535 934 HA ALA 122 HA ALA 122 -2.815 -8.852 3.017 935 HB1 ALA 122 1HB ALA 122 -4.916 -7.684 3.479 936 HB2 ALA 122 2HB ALA 122 -4.043 -6.154 3.578 937 HB3 ALA 122 3HB ALA 122 -4.113 -7.032 2.048 938 H ASP 123 HN ASP 123 -1.119 -6.566 4.861 939 HA ASP 123 HA ASP 123 0.116 -5.144 2.674 940 HB2 ASP 123 2HB ASP 123 -0.306 -4.192 4.987 941 HB3 ASP 123 3HB ASP 123 0.984 -5.238 5.571 942 H ILE 124 HN ILE 124 0.702 -7.976 4.540 943 HA ILE 124 HA ILE 124 3.519 -8.086 4.395 944 HB ILE 124 HB ILE 124 1.535 -10.327 4.808 945 HG12 ILE 124 2HG1 ILE 124 3.155 -8.726 6.800 946 HG13 ILE 124 3HG1 ILE 124 1.437 -8.511 6.491 947 HG21 ILE 124 1HG2 ILE 124 4.512 -10.256 5.293 948 HG22 ILE 124 2HG2 ILE 124 3.427 -11.561 5.777 949 HG23 ILE 124 3HG2 ILE 124 3.672 -11.208 4.067 950 HD11 ILE 124 3HD1 ILE 124 2.751 -10.971 7.615 951 HD12 ILE 124 1HD1 ILE 124 1.777 -9.796 8.500 952 HD13 ILE 124 2HD1 ILE 124 1.031 -10.805 7.259 953 HA PRO 125 HA PRO 125 2.864 -11.291 0.729 954 HB2 PRO 125 2HB PRO 125 0.520 -10.856 -0.681 955 HB3 PRO 125 3HB PRO 125 0.761 -12.137 0.517 956 HG2 PRO 125 2HG PRO 125 -0.517 -9.451 0.847 957 HG3 PRO 125 3HG PRO 125 -1.040 -11.026 1.474 958 HD2 PRO 125 2HD PRO 125 0.195 -9.273 3.054 959 HD3 PRO 125 3HD PRO 125 0.553 -11.009 3.176 960 H LEU 126 HN LEU 126 1.640 -8.017 0.665 961 HA LEU 126 HA LEU 126 2.337 -7.503 -2.063 962 HB2 LEU 126 2HB LEU 126 1.776 -5.612 0.227 963 HB3 LEU 126 3HB LEU 126 1.963 -5.126 -1.448 964 HG LEU 126 HG LEU 126 -0.211 -6.938 -0.391 965 HD11 LEU 126 1HD1 LEU 126 -0.487 -4.644 0.374 966 HD12 LEU 126 2HD1 LEU 126 -0.309 -4.058 -1.280 967 HD13 LEU 126 3HD1 LEU 126 -1.700 -5.050 -0.841 968 HD21 LEU 126 3HD2 LEU 126 -1.190 -6.689 -2.611 969 HD22 LEU 126 1HD2 LEU 126 0.204 -5.741 -3.128 970 HD23 LEU 126 2HD2 LEU 126 0.403 -7.440 -2.701 971 H LEU 127 HN LEU 127 3.874 -7.033 1.069 972 HA LEU 127 HA LEU 127 6.105 -5.602 -0.034 973 HB2 LEU 127 2HB LEU 127 5.257 -5.370 2.330 974 HB3 LEU 127 3HB LEU 127 5.923 -6.954 2.659 975 HG LEU 127 HG LEU 127 7.307 -4.954 3.398 976 HD11 LEU 127 1HD1 LEU 127 8.268 -7.178 3.274 977 HD12 LEU 127 2HD1 LEU 127 8.603 -6.949 1.558 978 HD13 LEU 127 3HD1 LEU 127 9.434 -5.962 2.760 979 HD21 LEU 127 3HD2 LEU 127 7.842 -4.773 0.442 980 HD22 LEU 127 1HD2 LEU 127 6.978 -3.582 1.413 981 HD23 LEU 127 2HD2 LEU 127 8.692 -3.883 1.705 982 H GLU 128 HN GLU 128 5.400 -8.950 0.876 983 HA GLU 128 HA GLU 128 7.972 -9.996 0.688 984 HB2 GLU 128 2HB GLU 128 5.357 -11.318 -0.052 985 HB3 GLU 128 3HB GLU 128 6.879 -12.159 0.204 986 HG2 GLU 128 2HG GLU 128 6.865 -11.146 2.530 987 HG3 GLU 128 3HG GLU 128 5.188 -10.713 2.211 988 H ALA 129 HN ALA 129 5.574 -9.414 -1.882 989 HA ALA 129 HA ALA 129 7.305 -10.502 -3.898 990 HB1 ALA 129 1HB ALA 129 4.943 -8.700 -4.356 991 HB2 ALA 129 2HB ALA 129 5.723 -9.798 -5.502 992 HB3 ALA 129 3HB ALA 129 4.830 -10.451 -4.127 993 H PHE 130 HN PHE 130 6.869 -7.374 -2.429 994 HA PHE 130 HA PHE 130 8.119 -5.855 -4.473 995 HB2 PHE 130 2HB PHE 130 6.748 -4.812 -2.717 996 HB3 PHE 130 3HB PHE 130 7.904 -5.329 -1.496 997 HD1 PHE 130 1HD PHE 130 7.516 -3.189 -4.492 998 HD2 PHE 130 2HD PHE 130 9.752 -3.999 -0.965 999 HE1 PHE 130 1HE PHE 130 8.740 -1.079 -4.790 1000 HE2 PHE 130 2HE PHE 130 10.981 -1.888 -1.256 1001 HZ PHE 130 HZ PHE 130 10.473 -0.424 -3.170 1002 H MET 131 HN MET 131 9.256 -7.368 -1.478 1003 HA MET 131 HA MET 131 11.985 -6.709 -1.949 1004 HB2 MET 131 2HB MET 131 12.519 -8.186 -0.112 1005 HB3 MET 131 3HB MET 131 11.111 -7.226 0.312 1006 HG2 MET 131 2HG MET 131 9.675 -9.150 -0.250 1007 HG3 MET 131 3HG MET 131 11.125 -10.106 -0.559 1008 HE1 MET 131 3HE MET 131 12.792 -10.199 2.993 1009 HE2 MET 131 1HE MET 131 12.909 -10.733 1.316 1010 HE3 MET 131 2HE MET 131 13.092 -9.024 1.711 1011 H ALA 132 HN ALA 132 9.953 -9.557 -2.744 1012 HA ALA 132 HA ALA 132 11.897 -11.213 -3.779 1013 HB1 ALA 132 1HB ALA 132 9.597 -11.913 -3.476 1014 HB2 ALA 132 2HB ALA 132 9.044 -10.762 -4.701 1015 HB3 ALA 132 3HB ALA 132 10.060 -12.135 -5.163 1016 H LEU 133 HN LEU 133 10.065 -8.647 -5.403 1017 HA LEU 133 HA LEU 133 11.055 -9.199 -7.989 1018 HB2 LEU 133 2HB LEU 133 9.220 -7.399 -6.773 1019 HB3 LEU 133 3HB LEU 133 10.311 -6.464 -7.778 1020 HG LEU 133 HG LEU 133 9.747 -7.897 -9.707 1021 HD11 LEU 133 1HD1 LEU 133 7.824 -9.424 -9.533 1022 HD12 LEU 133 2HD1 LEU 133 9.192 -9.944 -8.552 1023 HD13 LEU 133 3HD1 LEU 133 7.802 -9.172 -7.786 1024 HD21 LEU 133 3HD2 LEU 133 7.345 -6.702 -8.333 1025 HD22 LEU 133 1HD2 LEU 133 8.526 -5.816 -9.296 1026 HD23 LEU 133 2HD2 LEU 133 7.503 -7.034 -10.059 1027 H ARG 134 HN ARG 134 12.307 -7.323 -5.362 1028 HA ARG 134 HA ARG 134 14.174 -5.939 -7.114 1029 HB2 ARG 134 2HB ARG 134 13.745 -5.726 -4.134 1030 HB3 ARG 134 3HB ARG 134 14.841 -4.721 -5.077 1031 HG2 ARG 134 2HG ARG 134 12.957 -3.864 -6.365 1032 HG3 ARG 134 3HG ARG 134 11.856 -4.876 -5.430 1033 HD2 ARG 134 2HD ARG 134 11.786 -2.654 -4.543 1034 HD3 ARG 134 3HD ARG 134 12.597 -3.696 -3.379 1035 HE ARG 134 HE ARG 134 14.728 -2.752 -4.384 1036 HH11 ARG 134 2HH1 ARG 134 11.730 -0.985 -4.537 1037 HH12 ARG 134 1HH1 ARG 134 12.469 0.575 -4.316 1038 HH21 ARG 134 2HH2 ARG 134 15.727 -0.690 -4.110 1039 HH22 ARG 134 1HH2 ARG 134 14.733 0.738 -4.049 1040 H ALA 135 HN ALA 135 14.096 -8.685 -5.031 1041 HA ALA 135 HA ALA 135 17.003 -8.766 -4.765 1042 HB1 ALA 135 1HB ALA 135 15.636 -9.385 -2.832 1043 HB2 ALA 135 2HB ALA 135 14.912 -10.696 -3.764 1044 HB3 ALA 135 3HB ALA 135 16.632 -10.735 -3.377 1045 H ALA 136 HN ALA 136 14.388 -10.434 -6.402 1046 HA ALA 136 HA ALA 136 16.274 -12.273 -7.682 1047 HB1 ALA 136 1HB ALA 136 14.294 -13.407 -8.555 1048 HB2 ALA 136 2HB ALA 136 14.180 -13.203 -6.807 1049 HB3 ALA 136 3HB ALA 136 13.262 -12.146 -7.878 1050 H ARG 137 HN ARG 137 14.595 -9.376 -8.222 1051 HA ARG 137 HA ARG 137 13.999 -8.132 -10.010 1052 HB2 ARG 137 2HB ARG 137 15.907 -7.420 -11.375 1053 HB3 ARG 137 3HB ARG 137 16.282 -7.461 -9.663 1054 HG2 ARG 137 2HG ARG 137 17.452 -9.603 -9.999 1055 HG3 ARG 137 3HG ARG 137 17.123 -9.480 -11.730 1056 HD2 ARG 137 2HD ARG 137 18.298 -7.247 -11.664 1057 HD3 ARG 137 3HD ARG 137 18.807 -7.661 -10.029 1058 HE ARG 137 HE ARG 137 19.453 -9.641 -12.037 1059 HH11 ARG 137 2HH1 ARG 137 20.517 -6.856 -10.209 1060 HH12 ARG 137 1HH1 ARG 137 22.197 -7.054 -10.613 1061 HH21 ARG 137 2HH2 ARG 137 21.663 -9.920 -12.585 1062 HH22 ARG 137 1HH2 ARG 137 22.851 -8.814 -11.968 1063 HA PRO 138 HA PRO 138 13.162 -11.430 -13.092 1064 HB2 PRO 138 2HB PRO 138 10.581 -11.885 -12.586 1065 HB3 PRO 138 3HB PRO 138 11.853 -12.619 -11.603 1066 HG2 PRO 138 2HG PRO 138 10.061 -10.331 -10.984 1067 HG3 PRO 138 3HG PRO 138 10.734 -11.558 -9.900 1068 HD2 PRO 138 2HD PRO 138 11.704 -8.942 -10.286 1069 HD3 PRO 138 3HD PRO 138 12.529 -10.261 -9.433 1070 H ALA 139 HN ALA 139 12.608 -10.901 -15.110 1071 HA ALA 139 HA ALA 139 11.413 -8.358 -15.697 1072 HB1 ALA 139 1HB ALA 139 11.682 -9.010 -18.038 1073 HB2 ALA 139 2HB ALA 139 13.167 -9.295 -17.131 1074 HB3 ALA 139 3HB ALA 139 12.111 -10.646 -17.541 1075 H ASP 140 HN ASP 140 9.325 -7.999 -15.666 1076 HA ASP 140 HA ASP 140 7.377 -9.975 -15.273 1077 HB2 ASP 140 2HB ASP 140 7.092 -7.631 -14.562 1078 HB3 ASP 140 3HB ASP 140 6.976 -7.142 -16.251 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -27.943 -14.199 2.488 2 H2 GLY 1 2H GLY 1 -28.270 -12.562 2.179 3 H3 GLY 1 3H GLY 1 -27.099 -13.383 1.264 4 HA2 GLY 1 3HA GLY 1 -30.014 -13.934 1.262 5 HA3 GLY 1 2HA GLY 1 -29.118 -13.121 -0.013 6 HA PRO 2 HA PRO 2 -29.295 -17.861 -0.587 7 HB2 PRO 2 2HB PRO 2 -30.911 -17.181 -2.959 8 HB3 PRO 2 3HB PRO 2 -31.199 -18.406 -1.721 9 HG2 PRO 2 2HG PRO 2 -32.686 -16.181 -1.858 10 HG3 PRO 2 3HG PRO 2 -32.255 -16.914 -0.303 11 HD2 PRO 2 2HD PRO 2 -31.062 -14.530 -1.672 12 HD3 PRO 2 3HD PRO 2 -31.449 -14.765 0.047 13 H LEU 3 HN LEU 3 -28.946 -15.115 -2.747 14 HA LEU 3 HA LEU 3 -27.133 -16.612 -4.470 15 HB2 LEU 3 2HB LEU 3 -28.260 -13.818 -4.669 16 HB3 LEU 3 3HB LEU 3 -27.056 -14.447 -5.772 17 HG LEU 3 HG LEU 3 -28.731 -16.278 -6.350 18 HD11 LEU 3 1HD1 LEU 3 -30.202 -16.001 -4.416 19 HD12 LEU 3 2HD1 LEU 3 -30.636 -14.387 -4.979 20 HD13 LEU 3 3HD1 LEU 3 -31.079 -15.802 -5.934 21 HD21 LEU 3 3HD2 LEU 3 -29.936 -14.840 -7.910 22 HD22 LEU 3 1HD2 LEU 3 -29.437 -13.418 -6.993 23 HD23 LEU 3 2HD2 LEU 3 -28.231 -14.400 -7.824 24 H GLY 4 HN GLY 4 -24.980 -16.376 -4.441 25 HA2 GLY 4 2HA GLY 4 -23.728 -15.281 -2.161 26 HA3 GLY 4 3HA GLY 4 -22.911 -15.845 -3.614 27 H SER 5 HN SER 5 -23.913 -13.156 -1.801 28 HA SER 5 HA SER 5 -23.703 -11.229 -3.936 29 HB2 SER 5 2HB SER 5 -23.820 -10.653 -0.972 30 HB3 SER 5 3HB SER 5 -24.336 -9.616 -2.304 31 HG SER 5 HG SER 5 -25.667 -11.892 -2.527 32 H MET 6 HN MET 6 -21.437 -12.168 -4.351 33 HA MET 6 HA MET 6 -19.442 -11.080 -2.511 34 HB2 MET 6 2HB MET 6 -19.034 -12.851 -4.927 35 HB3 MET 6 3HB MET 6 -17.796 -12.366 -3.778 36 HG2 MET 6 2HG MET 6 -19.110 -13.528 -2.002 37 HG3 MET 6 3HG MET 6 -20.153 -14.156 -3.278 38 HE1 MET 6 3HE MET 6 -17.745 -14.374 -5.551 39 HE2 MET 6 1HE MET 6 -17.414 -16.102 -5.432 40 HE3 MET 6 2HE MET 6 -19.079 -15.520 -5.412 41 H LYS 7 HN LYS 7 -19.531 -8.902 -2.955 42 HA LYS 7 HA LYS 7 -18.922 -8.016 -5.653 43 HB2 LYS 7 2HB LYS 7 -19.671 -6.648 -3.105 44 HB3 LYS 7 3HB LYS 7 -18.786 -5.733 -4.315 45 HG2 LYS 7 2HG LYS 7 -21.108 -5.314 -4.619 46 HG3 LYS 7 3HG LYS 7 -20.556 -6.314 -5.962 47 HD2 LYS 7 2HD LYS 7 -21.425 -8.307 -4.733 48 HD3 LYS 7 3HD LYS 7 -22.117 -7.202 -3.543 49 HE2 LYS 7 2HE LYS 7 -22.753 -7.259 -6.491 50 HE3 LYS 7 3HE LYS 7 -23.779 -7.881 -5.201 51 HZ1 LYS 7 3HZ LYS 7 -24.071 -5.683 -4.351 52 HZ2 LYS 7 1HZ LYS 7 -24.423 -5.654 -6.007 53 HZ3 LYS 7 2HZ LYS 7 -22.948 -5.036 -5.448 54 H MET 8 HN MET 8 -17.018 -6.792 -6.153 55 HA MET 8 HA MET 8 -14.760 -7.667 -4.510 56 HB2 MET 8 2HB MET 8 -14.997 -6.842 -7.383 57 HB3 MET 8 3HB MET 8 -13.438 -6.805 -6.569 58 HG2 MET 8 2HG MET 8 -13.663 -9.183 -6.041 59 HG3 MET 8 3HG MET 8 -15.212 -9.219 -6.882 60 HE1 MET 8 3HE MET 8 -12.723 -11.212 -9.221 61 HE2 MET 8 1HE MET 8 -12.695 -11.152 -7.458 62 HE3 MET 8 2HE MET 8 -14.231 -11.300 -8.313 63 H ILE 9 HN ILE 9 -13.516 -6.347 -3.451 64 HA ILE 9 HA ILE 9 -14.124 -3.471 -3.552 65 HB ILE 9 HB ILE 9 -12.829 -5.126 -1.387 66 HG12 ILE 9 2HG1 ILE 9 -15.569 -3.872 -1.584 67 HG13 ILE 9 3HG1 ILE 9 -15.191 -5.589 -1.501 68 HG21 ILE 9 1HG2 ILE 9 -12.032 -2.741 -1.587 69 HG22 ILE 9 2HG2 ILE 9 -13.662 -2.258 -1.120 70 HG23 ILE 9 3HG2 ILE 9 -12.678 -3.234 -0.016 71 HD11 ILE 9 3HD1 ILE 9 -16.016 -4.833 0.624 72 HD12 ILE 9 1HD1 ILE 9 -14.306 -5.253 0.774 73 HD13 ILE 9 2HD1 ILE 9 -14.797 -3.560 0.683 74 H GLU 10 HN GLU 10 -12.627 -2.277 -4.573 75 HA GLU 10 HA GLU 10 -10.006 -3.465 -5.053 76 HB2 GLU 10 2HB GLU 10 -11.449 -1.128 -6.322 77 HB3 GLU 10 3HB GLU 10 -9.756 -1.481 -6.631 78 HG2 GLU 10 2HG GLU 10 -11.598 -3.738 -7.007 79 HG3 GLU 10 3HG GLU 10 -11.786 -2.395 -8.135 80 H VAL 11 HN VAL 11 -8.293 -2.841 -3.922 81 HA VAL 11 HA VAL 11 -8.380 -0.215 -2.606 82 HB VAL 11 HB VAL 11 -7.389 -2.803 -1.381 83 HG11 VAL 11 1HG1 VAL 11 -6.841 -1.469 0.597 84 HG12 VAL 11 2HG1 VAL 11 -5.912 -0.941 -0.807 85 HG13 VAL 11 3HG1 VAL 11 -7.301 0.002 -0.262 86 HG21 VAL 11 3HG2 VAL 11 -9.109 -2.371 0.324 87 HG22 VAL 11 1HG2 VAL 11 -9.649 -0.966 -0.595 88 HG23 VAL 11 2HG2 VAL 11 -9.807 -2.582 -1.283 89 H VAL 12 HN VAL 12 -6.638 0.985 -3.013 90 HA VAL 12 HA VAL 12 -4.347 -0.346 -4.272 91 HB VAL 12 HB VAL 12 -3.670 2.103 -4.787 92 HG11 VAL 12 1HG1 VAL 12 -6.062 0.879 -6.151 93 HG12 VAL 12 2HG1 VAL 12 -4.967 2.077 -6.842 94 HG13 VAL 12 3HG1 VAL 12 -4.378 0.459 -6.459 95 HG21 VAL 12 3HG2 VAL 12 -5.283 3.198 -3.336 96 HG22 VAL 12 1HG2 VAL 12 -5.576 3.640 -5.018 97 HG23 VAL 12 2HG2 VAL 12 -6.613 2.456 -4.225 98 H ALA 13 HN ALA 13 -2.398 -0.356 -3.357 99 HA ALA 13 HA ALA 13 -2.105 1.001 -0.764 100 HB1 ALA 13 1HB ALA 13 -2.147 -1.454 -0.571 101 HB2 ALA 13 2HB ALA 13 -0.798 -1.559 -1.706 102 HB3 ALA 13 3HB ALA 13 -0.569 -0.791 -0.133 103 H ALA 14 HN ALA 14 -0.400 2.345 -0.538 104 HA ALA 14 HA ALA 14 1.259 2.720 -2.931 105 HB1 ALA 14 1HB ALA 14 0.642 4.605 -0.661 106 HB2 ALA 14 2HB ALA 14 1.707 4.968 -2.020 107 HB3 ALA 14 3HB ALA 14 -0.006 4.675 -2.297 108 H ILE 15 HN ILE 15 3.208 1.895 -2.851 109 HA ILE 15 HA ILE 15 4.561 1.684 -0.265 110 HB ILE 15 HB ILE 15 5.223 0.473 -2.954 111 HG12 ILE 15 2HG1 ILE 15 4.093 -0.551 -0.372 112 HG13 ILE 15 3HG1 ILE 15 3.526 -0.822 -2.017 113 HG21 ILE 15 1HG2 ILE 15 6.751 0.191 -0.372 114 HG22 ILE 15 2HG2 ILE 15 7.113 -0.615 -1.897 115 HG23 ILE 15 3HG2 ILE 15 7.272 1.137 -1.766 116 HD11 ILE 15 3HD1 ILE 15 6.021 -1.993 -0.805 117 HD12 ILE 15 1HD1 ILE 15 4.473 -2.833 -1.011 118 HD13 ILE 15 2HD1 ILE 15 5.389 -2.320 -2.431 119 H ILE 16 HN ILE 16 5.440 3.596 0.214 120 HA ILE 16 HA ILE 16 6.533 5.251 -1.912 121 HB ILE 16 HB ILE 16 6.259 5.892 1.033 122 HG12 ILE 16 2HG1 ILE 16 4.370 6.519 -1.250 123 HG13 ILE 16 3HG1 ILE 16 4.070 5.358 0.039 124 HG21 ILE 16 1HG2 ILE 16 6.392 8.232 0.252 125 HG22 ILE 16 2HG2 ILE 16 7.851 7.311 -0.125 126 HG23 ILE 16 3HG2 ILE 16 6.668 7.649 -1.390 127 HD11 ILE 16 3HD1 ILE 16 4.392 8.328 0.367 128 HD12 ILE 16 1HD1 ILE 16 2.879 7.421 0.430 129 HD13 ILE 16 2HD1 ILE 16 4.110 7.172 1.666 130 H GLU 17 HN GLU 17 8.553 4.714 -2.446 131 HA GLU 17 HA GLU 17 10.372 3.890 -0.286 132 HB2 GLU 17 2HB GLU 17 9.925 2.098 -1.889 133 HB3 GLU 17 3HB GLU 17 10.413 3.143 -3.216 134 HG2 GLU 17 2HG GLU 17 12.682 3.253 -2.217 135 HG3 GLU 17 3HG GLU 17 12.158 2.073 -1.014 136 H ARG 18 HN ARG 18 11.700 5.445 0.238 137 HA ARG 18 HA ARG 18 13.103 6.860 -1.906 138 HB2 ARG 18 2HB ARG 18 11.172 8.145 -0.440 139 HB3 ARG 18 3HB ARG 18 12.617 8.483 0.504 140 HG2 ARG 18 2HG ARG 18 12.445 10.278 -0.983 141 HG3 ARG 18 3HG ARG 18 13.677 9.227 -1.689 142 HD2 ARG 18 2HD ARG 18 11.769 8.191 -3.035 143 HD3 ARG 18 3HD ARG 18 10.814 9.584 -2.529 144 HE ARG 18 HE ARG 18 13.223 9.668 -4.227 145 HH11 ARG 18 2HH1 ARG 18 10.387 11.262 -2.922 146 HH12 ARG 18 1HH1 ARG 18 10.381 12.511 -4.125 147 HH21 ARG 18 2HH2 ARG 18 13.195 11.297 -5.820 148 HH22 ARG 18 1HH2 ARG 18 11.994 12.553 -5.755 149 H ASP 19 HN ASP 19 15.246 7.245 -1.447 150 HA ASP 19 HA ASP 19 17.268 7.088 -0.427 151 HB2 ASP 19 2HB ASP 19 15.732 6.748 2.172 152 HB3 ASP 19 3HB ASP 19 17.451 7.102 2.014 153 H GLY 20 HN GLY 20 15.255 4.657 -0.946 154 HA2 GLY 20 2HA GLY 20 15.935 2.429 -1.278 155 HA3 GLY 20 3HA GLY 20 17.193 2.654 -0.067 156 H LYS 21 HN LYS 21 14.524 4.078 1.135 157 HA LYS 21 HA LYS 21 13.808 1.681 2.690 158 HB2 LYS 21 2HB LYS 21 13.624 4.567 3.554 159 HB3 LYS 21 3HB LYS 21 13.423 3.145 4.561 160 HG2 LYS 21 2HG LYS 21 16.001 3.381 3.157 161 HG3 LYS 21 3HG LYS 21 15.689 4.563 4.429 162 HD2 LYS 21 2HD LYS 21 15.265 2.801 6.009 163 HD3 LYS 21 3HD LYS 21 15.449 1.577 4.754 164 HE2 LYS 21 2HE LYS 21 17.462 1.738 6.131 165 HE3 LYS 21 3HE LYS 21 17.789 2.224 4.467 166 HZ1 LYS 21 3HZ LYS 21 17.763 4.501 5.097 167 HZ2 LYS 21 1HZ LYS 21 18.784 3.695 6.182 168 HZ3 LYS 21 2HZ LYS 21 17.219 4.139 6.664 169 H ILE 22 HN ILE 22 11.602 1.507 3.374 170 HA ILE 22 HA ILE 22 9.724 2.817 1.525 171 HB ILE 22 HB ILE 22 9.175 0.397 3.255 172 HG12 ILE 22 2HG1 ILE 22 10.061 0.424 0.360 173 HG13 ILE 22 3HG1 ILE 22 11.069 -0.060 1.721 174 HG21 ILE 22 1HG2 ILE 22 7.423 -0.005 1.470 175 HG22 ILE 22 2HG2 ILE 22 7.155 1.400 2.514 176 HG23 ILE 22 3HG2 ILE 22 7.786 1.622 0.883 177 HD11 ILE 22 3HD1 ILE 22 8.543 -1.409 0.799 178 HD12 ILE 22 1HD1 ILE 22 10.195 -2.000 0.595 179 HD13 ILE 22 2HD1 ILE 22 9.496 -1.878 2.209 180 H LEU 23 HN LEU 23 7.969 3.949 2.323 181 HA LEU 23 HA LEU 23 8.140 4.835 5.057 182 HB2 LEU 23 2HB LEU 23 7.561 6.388 3.221 183 HB3 LEU 23 3HB LEU 23 6.081 5.485 2.946 184 HG LEU 23 HG LEU 23 5.414 6.041 5.307 185 HD11 LEU 23 1HD1 LEU 23 7.760 7.916 5.101 186 HD12 LEU 23 2HD1 LEU 23 6.525 7.955 6.360 187 HD13 LEU 23 3HD1 LEU 23 7.590 6.558 6.214 188 HD21 LEU 23 3HD2 LEU 23 5.816 8.266 3.322 189 HD22 LEU 23 1HD2 LEU 23 4.407 7.218 3.496 190 HD23 LEU 23 2HD2 LEU 23 4.799 8.383 4.759 191 H LEU 24 HN LEU 24 7.266 3.839 6.660 192 HA LEU 24 HA LEU 24 4.789 2.288 6.248 193 HB2 LEU 24 2HB LEU 24 7.076 1.823 8.141 194 HB3 LEU 24 3HB LEU 24 5.494 1.128 8.432 195 HG LEU 24 HG LEU 24 5.694 0.047 6.134 196 HD11 LEU 24 1HD1 LEU 24 7.466 1.418 5.227 197 HD12 LEU 24 2HD1 LEU 24 8.571 0.837 6.473 198 HD13 LEU 24 3HD1 LEU 24 7.942 -0.280 5.263 199 HD21 LEU 24 3HD2 LEU 24 7.084 -1.781 6.977 200 HD22 LEU 24 1HD2 LEU 24 7.641 -0.743 8.290 201 HD23 LEU 24 2HD2 LEU 24 5.943 -1.207 8.193 202 H ALA 25 HN ALA 25 3.043 2.790 7.415 203 HA ALA 25 HA ALA 25 3.338 5.005 9.328 204 HB1 ALA 25 1HB ALA 25 0.846 4.185 7.853 205 HB2 ALA 25 2HB ALA 25 1.085 5.635 8.832 206 HB3 ALA 25 3HB ALA 25 1.962 5.443 7.312 207 H GLN 26 HN GLN 26 3.006 4.607 11.386 208 HA GLN 26 HA GLN 26 1.855 2.147 12.282 209 HB2 GLN 26 2HB GLN 26 3.620 3.207 13.572 210 HB3 GLN 26 3HB GLN 26 2.629 4.641 13.797 211 HG2 GLN 26 2HG GLN 26 1.115 3.485 15.204 212 HG3 GLN 26 3HG GLN 26 1.836 1.926 14.803 213 HE21 GLN 26 1HE2 GLN 26 3.698 1.290 15.805 214 HE22 GLN 26 2HE2 GLN 26 4.401 2.144 17.142 215 H ARG 27 HN ARG 27 -0.113 1.707 12.863 216 HA ARG 27 HA ARG 27 -2.306 1.871 13.442 217 HB2 ARG 27 2HB ARG 27 -1.840 3.971 14.724 218 HB3 ARG 27 3HB ARG 27 -2.107 4.883 13.242 219 HG2 ARG 27 2HG ARG 27 -4.394 3.813 13.141 220 HG3 ARG 27 3HG ARG 27 -4.096 3.232 14.777 221 HD2 ARG 27 2HD ARG 27 -3.705 5.608 15.460 222 HD3 ARG 27 3HD ARG 27 -4.233 6.095 13.848 223 HE ARG 27 HE ARG 27 -5.917 4.769 15.876 224 HH11 ARG 27 2HH1 ARG 27 -5.614 6.705 12.961 225 HH12 ARG 27 1HH1 ARG 27 -7.320 7.027 12.852 226 HH21 ARG 27 2HH2 ARG 27 -8.130 5.211 15.748 227 HH22 ARG 27 1HH2 ARG 27 -8.748 6.186 14.453 228 HA PRO 28 HA PRO 28 -3.137 1.725 9.088 229 HB2 PRO 28 2HB PRO 28 -5.519 0.240 9.930 230 HB3 PRO 28 3HB PRO 28 -4.178 -0.284 8.914 231 HG2 PRO 28 2HG PRO 28 -4.574 -1.184 11.421 232 HG3 PRO 28 3HG PRO 28 -2.966 -1.025 10.701 233 HD2 PRO 28 2HD PRO 28 -4.334 0.716 12.691 234 HD3 PRO 28 3HD PRO 28 -2.617 0.286 12.559 235 H ALA 29 HN ALA 29 -6.178 1.601 10.848 236 HA ALA 29 HA ALA 29 -6.969 4.239 9.990 237 HB1 ALA 29 1HB ALA 29 -8.298 1.818 8.781 238 HB2 ALA 29 2HB ALA 29 -8.836 3.490 8.596 239 HB3 ALA 29 3HB ALA 29 -7.282 2.982 7.928 240 H GLN 30 HN GLN 30 -8.907 1.317 10.508 241 HA GLN 30 HA GLN 30 -10.284 2.735 12.668 242 HB2 GLN 30 2HB GLN 30 -11.102 0.350 11.005 243 HB3 GLN 30 3HB GLN 30 -12.054 0.997 12.336 244 HG2 GLN 30 2HG GLN 30 -12.234 3.135 11.167 245 HG3 GLN 30 3HG GLN 30 -11.289 2.480 9.831 246 HE21 GLN 30 1HE2 GLN 30 -12.950 2.844 8.376 247 HE22 GLN 30 2HE2 GLN 30 -14.381 1.869 8.349 248 H SER 31 HN SER 31 -7.735 0.890 12.565 249 HA SER 31 HA SER 31 -8.325 -1.141 14.468 250 HB2 SER 31 2HB SER 31 -5.678 0.048 13.584 251 HB3 SER 31 3HB SER 31 -5.877 -1.443 14.512 252 HG SER 31 HG SER 31 -6.734 -2.431 12.769 253 H ASP 32 HN ASP 32 -8.990 -0.556 16.440 254 HA ASP 32 HA ASP 32 -8.335 1.873 17.725 255 HB2 ASP 32 2HB ASP 32 -10.309 0.493 18.327 256 HB3 ASP 32 3HB ASP 32 -9.229 -0.723 19.005 257 H GLN 33 HN GLN 33 -6.981 -1.341 17.850 258 HA GLN 33 HA GLN 33 -4.913 -0.732 19.714 259 HB2 GLN 33 2HB GLN 33 -3.890 -2.856 18.667 260 HB3 GLN 33 3HB GLN 33 -5.404 -3.012 19.547 261 HG2 GLN 33 2HG GLN 33 -6.657 -3.146 17.546 262 HG3 GLN 33 3HG GLN 33 -5.272 -2.687 16.556 263 HE21 GLN 33 1HE2 GLN 33 -5.432 -4.536 15.313 264 HE22 GLN 33 2HE2 GLN 33 -4.981 -6.100 15.898 265 H ALA 34 HN ALA 34 -3.228 0.521 19.330 266 HA ALA 34 HA ALA 34 -2.408 1.039 16.578 267 HB1 ALA 34 1HB ALA 34 -2.750 2.963 18.072 268 HB2 ALA 34 2HB ALA 34 -1.480 2.352 19.130 269 HB3 ALA 34 3HB ALA 34 -1.088 2.866 17.489 270 H GLY 35 HN GLY 35 0.058 1.273 16.322 271 HA2 GLY 35 2HA GLY 35 2.227 0.500 17.141 272 HA3 GLY 35 3HA GLY 35 1.408 -0.934 17.740 273 H LEU 36 HN LEU 36 -0.214 -1.299 15.328 274 HA LEU 36 HA LEU 36 1.612 -2.697 13.716 275 HB2 LEU 36 2HB LEU 36 -1.231 -1.891 13.045 276 HB3 LEU 36 3HB LEU 36 -0.290 -3.119 12.233 277 HG LEU 36 HG LEU 36 -1.812 -4.293 13.559 278 HD11 LEU 36 1HD1 LEU 36 0.377 -5.243 13.725 279 HD12 LEU 36 2HD1 LEU 36 0.773 -4.188 15.084 280 HD13 LEU 36 3HD1 LEU 36 -0.465 -5.430 15.261 281 HD21 LEU 36 3HD2 LEU 36 -1.066 -2.742 16.021 282 HD22 LEU 36 1HD2 LEU 36 -2.418 -2.298 14.979 283 HD23 LEU 36 2HD2 LEU 36 -2.406 -3.862 15.795 284 H TRP 37 HN TRP 37 2.474 -2.236 11.761 285 HA TRP 37 HA TRP 37 2.086 0.483 10.699 286 HB2 TRP 37 2HB TRP 37 4.351 -1.463 10.169 287 HB3 TRP 37 3HB TRP 37 4.236 0.180 9.547 288 HD1 TRP 37 1HD TRP 37 3.092 0.572 12.919 289 HE1 TRP 37 1HE TRP 37 4.979 1.242 14.516 290 HE3 TRP 37 3HE TRP 37 7.106 -0.593 9.980 291 HZ2 TRP 37 2HZ TRP 37 7.802 1.299 14.539 292 HZ3 TRP 37 3HZ TRP 37 9.367 -0.197 10.863 293 HH2 TRP 37 2HH TRP 37 9.707 0.730 13.097 294 H GLU 38 HN GLU 38 1.593 0.744 8.487 295 HA GLU 38 HA GLU 38 1.378 -1.636 6.832 296 HB2 GLU 38 2HB GLU 38 -1.006 -0.768 6.165 297 HB3 GLU 38 3HB GLU 38 -0.792 -1.810 7.563 298 HG2 GLU 38 2HG GLU 38 -2.279 -0.117 8.225 299 HG3 GLU 38 3HG GLU 38 -0.733 0.270 8.971 300 H PHE 39 HN PHE 39 0.544 -1.001 4.578 301 HA PHE 39 HA PHE 39 2.015 1.382 3.726 302 HB2 PHE 39 2HB PHE 39 0.697 -0.818 2.106 303 HB3 PHE 39 3HB PHE 39 1.643 0.504 1.435 304 HD1 PHE 39 2HD PHE 39 4.065 0.617 1.879 305 HD2 PHE 39 1HD PHE 39 1.690 -2.716 2.999 306 HE1 PHE 39 2HE PHE 39 6.087 -0.738 2.111 307 HE2 PHE 39 1HE PHE 39 3.702 -4.083 3.224 308 HZ PHE 39 HZ PHE 39 5.920 -3.102 2.788 309 H ALA 40 HN ALA 40 1.000 3.229 3.468 310 HA ALA 40 HA ALA 40 -1.748 3.567 3.892 311 HB1 ALA 40 1HB ALA 40 -0.079 5.304 4.334 312 HB2 ALA 40 2HB ALA 40 0.176 5.489 2.598 313 HB3 ALA 40 3HB ALA 40 -1.388 5.892 3.308 314 H GLY 41 HN GLY 41 -3.231 4.718 2.370 315 HA2 GLY 41 2HA GLY 41 -3.252 4.836 -0.299 316 HA3 GLY 41 3HA GLY 41 -3.429 3.106 -0.020 317 H GLY 42 HN GLY 42 -5.492 2.657 -0.441 318 HA2 GLY 42 2HA GLY 42 -7.565 3.115 1.250 319 HA3 GLY 42 3HA GLY 42 -7.595 4.531 0.210 320 H LYS 43 HN LYS 43 -9.802 3.249 0.088 321 HA LYS 43 HA LYS 43 -9.824 1.106 -1.818 322 HB2 LYS 43 2HB LYS 43 -11.569 1.224 -0.116 323 HB3 LYS 43 3HB LYS 43 -12.077 2.799 -0.714 324 HG2 LYS 43 2HG LYS 43 -12.623 1.711 -2.894 325 HG3 LYS 43 3HG LYS 43 -12.291 0.155 -2.133 326 HD2 LYS 43 2HD LYS 43 -14.068 0.485 -0.554 327 HD3 LYS 43 3HD LYS 43 -14.329 2.132 -1.131 328 HE2 LYS 43 2HE LYS 43 -14.752 -0.400 -2.716 329 HE3 LYS 43 3HE LYS 43 -16.013 0.624 -2.034 330 HZ1 LYS 43 3HZ LYS 43 -15.747 1.102 -4.357 331 HZ2 LYS 43 1HZ LYS 43 -14.088 1.394 -4.163 332 HZ3 LYS 43 2HZ LYS 43 -15.218 2.442 -3.457 333 H VAL 44 HN VAL 44 -10.690 1.182 -3.914 334 HA VAL 44 HA VAL 44 -10.338 3.777 -5.239 335 HB VAL 44 HB VAL 44 -10.539 1.009 -6.449 336 HG11 VAL 44 1HG1 VAL 44 -9.760 3.639 -7.703 337 HG12 VAL 44 2HG1 VAL 44 -9.725 2.064 -8.497 338 HG13 VAL 44 3HG1 VAL 44 -11.262 2.755 -7.981 339 HG21 VAL 44 3HG2 VAL 44 -8.518 1.204 -5.136 340 HG22 VAL 44 1HG2 VAL 44 -8.127 1.214 -6.855 341 HG23 VAL 44 2HG2 VAL 44 -8.114 2.721 -5.939 342 H GLU 45 HN GLU 45 -12.116 4.871 -5.828 343 HA GLU 45 HA GLU 45 -14.686 3.527 -5.961 344 HB2 GLU 45 2HB GLU 45 -13.850 6.388 -6.466 345 HB3 GLU 45 3HB GLU 45 -15.505 5.817 -6.633 346 HG2 GLU 45 2HG GLU 45 -13.874 5.722 -4.106 347 HG3 GLU 45 3HG GLU 45 -15.114 6.919 -4.485 348 HA PRO 46 HA PRO 46 -14.513 2.291 -10.156 349 HB2 PRO 46 2HB PRO 46 -17.098 2.977 -10.945 350 HB3 PRO 46 3HB PRO 46 -16.615 1.458 -10.186 351 HG2 PRO 46 2HG PRO 46 -17.857 3.878 -8.968 352 HG3 PRO 46 3HG PRO 46 -18.108 2.167 -8.578 353 HD2 PRO 46 2HD PRO 46 -16.620 3.769 -7.020 354 HD3 PRO 46 3HD PRO 46 -16.205 2.060 -7.265 355 H ASP 47 HN ASP 47 -15.750 5.503 -9.462 356 HA ASP 47 HA ASP 47 -15.584 6.477 -12.110 357 HB2 ASP 47 2HB ASP 47 -16.988 7.529 -10.371 358 HB3 ASP 47 3HB ASP 47 -15.530 8.062 -9.542 359 H GLU 48 HN GLU 48 -13.208 6.097 -9.657 360 HA GLU 48 HA GLU 48 -11.418 7.968 -11.045 361 HB2 GLU 48 2HB GLU 48 -10.138 8.122 -9.001 362 HB3 GLU 48 3HB GLU 48 -11.832 8.435 -8.656 363 HG2 GLU 48 2HG GLU 48 -12.045 6.092 -7.870 364 HG3 GLU 48 3HG GLU 48 -10.306 5.906 -8.094 365 H SER 49 HN SER 49 -9.110 7.397 -11.037 366 HA SER 49 HA SER 49 -8.850 4.663 -12.007 367 HB2 SER 49 2HB SER 49 -7.018 7.044 -12.354 368 HB3 SER 49 3HB SER 49 -6.837 5.480 -13.147 369 HG SER 49 HG SER 49 -8.499 7.572 -13.754 370 H GLN 50 HN GLN 50 -6.648 3.625 -11.703 371 HA GLN 50 HA GLN 50 -6.304 3.014 -9.000 372 HB2 GLN 50 2HB GLN 50 -4.565 2.525 -11.407 373 HB3 GLN 50 3HB GLN 50 -4.106 1.963 -9.805 374 HG2 GLN 50 2HG GLN 50 -6.157 0.650 -9.675 375 HG3 GLN 50 3HG GLN 50 -6.621 1.215 -11.278 376 HE21 GLN 50 1HE2 GLN 50 -5.590 0.396 -13.078 377 HE22 GLN 50 2HE2 GLN 50 -4.566 -1.001 -13.014 378 H ARG 51 HN ARG 51 -4.048 4.855 -11.090 379 HA ARG 51 HA ARG 51 -2.313 5.546 -8.945 380 HB2 ARG 51 2HB ARG 51 -2.689 7.034 -11.554 381 HB3 ARG 51 3HB ARG 51 -1.313 7.161 -10.470 382 HG2 ARG 51 2HG ARG 51 -0.786 4.784 -10.934 383 HG3 ARG 51 3HG ARG 51 -2.099 4.765 -12.118 384 HD2 ARG 51 2HD ARG 51 -0.982 6.663 -13.284 385 HD3 ARG 51 3HD ARG 51 0.369 6.499 -12.168 386 HE ARG 51 HE ARG 51 -0.323 4.107 -13.647 387 HH11 ARG 51 2HH1 ARG 51 1.693 6.968 -13.448 388 HH12 ARG 51 1HH1 ARG 51 2.851 6.383 -14.600 389 HH21 ARG 51 2HH2 ARG 51 1.210 3.328 -15.150 390 HH22 ARG 51 1HH2 ARG 51 2.580 4.320 -15.567 391 H GLN 52 HN GLN 52 -5.292 6.801 -10.099 392 HA GLN 52 HA GLN 52 -4.939 9.510 -9.277 393 HB2 GLN 52 2HB GLN 52 -6.404 8.871 -11.129 394 HB3 GLN 52 3HB GLN 52 -7.395 7.919 -10.038 395 HG2 GLN 52 2HG GLN 52 -8.165 9.880 -8.924 396 HG3 GLN 52 3HG GLN 52 -7.039 10.893 -9.828 397 HE21 GLN 52 1HE2 GLN 52 -8.671 12.163 -10.705 398 HE22 GLN 52 2HE2 GLN 52 -9.746 11.571 -11.920 399 H ALA 53 HN ALA 53 -6.652 6.680 -7.996 400 HA ALA 53 HA ALA 53 -7.734 7.874 -5.715 401 HB1 ALA 53 1HB ALA 53 -7.957 5.627 -4.828 402 HB2 ALA 53 2HB ALA 53 -8.375 5.649 -6.541 403 HB3 ALA 53 3HB ALA 53 -6.812 5.017 -6.025 404 H LEU 54 HN LEU 54 -4.607 6.223 -6.167 405 HA LEU 54 HA LEU 54 -3.763 6.412 -3.498 406 HB2 LEU 54 2HB LEU 54 -2.288 6.137 -6.096 407 HB3 LEU 54 3HB LEU 54 -1.424 6.288 -4.577 408 HG LEU 54 HG LEU 54 -3.381 4.099 -5.279 409 HD11 LEU 54 1HD1 LEU 54 -1.395 2.663 -5.234 410 HD12 LEU 54 2HD1 LEU 54 -1.290 3.896 -6.492 411 HD13 LEU 54 3HD1 LEU 54 -0.381 4.085 -4.993 412 HD21 LEU 54 3HD2 LEU 54 -1.743 4.613 -2.806 413 HD22 LEU 54 1HD2 LEU 54 -3.498 4.556 -2.931 414 HD23 LEU 54 2HD2 LEU 54 -2.551 3.087 -3.162 415 H VAL 55 HN VAL 55 -3.350 8.596 -6.229 416 HA VAL 55 HA VAL 55 -1.525 10.343 -4.984 417 HB VAL 55 HB VAL 55 -3.452 10.817 -7.260 418 HG11 VAL 55 1HG1 VAL 55 -2.210 12.873 -7.729 419 HG12 VAL 55 2HG1 VAL 55 -2.991 12.950 -6.149 420 HG13 VAL 55 3HG1 VAL 55 -1.258 12.638 -6.265 421 HG21 VAL 55 3HG2 VAL 55 -1.655 9.220 -7.693 422 HG22 VAL 55 1HG2 VAL 55 -1.429 10.700 -8.625 423 HG23 VAL 55 2HG2 VAL 55 -0.463 10.413 -7.179 424 H ARG 56 HN ARG 56 -5.095 10.406 -5.152 425 HA ARG 56 HA ARG 56 -5.232 12.854 -3.679 426 HB2 ARG 56 2HB ARG 56 -7.637 12.467 -3.526 427 HB3 ARG 56 3HB ARG 56 -7.063 12.225 -5.167 428 HG2 ARG 56 2HG ARG 56 -7.564 10.021 -5.170 429 HG3 ARG 56 3HG ARG 56 -7.233 9.831 -3.447 430 HD2 ARG 56 2HD ARG 56 -9.314 10.953 -2.899 431 HD3 ARG 56 3HD ARG 56 -9.647 11.208 -4.614 432 HE ARG 56 HE ARG 56 -9.959 8.835 -4.860 433 HH11 ARG 56 2HH1 ARG 56 -9.709 10.005 -1.563 434 HH12 ARG 56 1HH1 ARG 56 -10.423 8.585 -0.869 435 HH21 ARG 56 2HH2 ARG 56 -10.930 6.973 -3.959 436 HH22 ARG 56 1HH2 ARG 56 -11.122 6.863 -2.230 437 H GLU 57 HN GLU 57 -5.632 9.427 -2.806 438 HA GLU 57 HA GLU 57 -6.406 9.799 -0.162 439 HB2 GLU 57 2HB GLU 57 -4.889 7.568 -1.501 440 HB3 GLU 57 3HB GLU 57 -5.312 7.508 0.203 441 HG2 GLU 57 2HG GLU 57 -7.339 7.904 -1.977 442 HG3 GLU 57 3HG GLU 57 -6.873 6.317 -1.364 443 H LEU 58 HN LEU 58 -3.115 9.462 -1.481 444 HA LEU 58 HA LEU 58 -1.868 9.677 1.073 445 HB2 LEU 58 2HB LEU 58 -0.586 10.376 -1.549 446 HB3 LEU 58 3HB LEU 58 0.211 9.883 -0.076 447 HG LEU 58 HG LEU 58 -1.446 8.146 -1.893 448 HD11 LEU 58 1HD1 LEU 58 1.476 8.099 -1.166 449 HD12 LEU 58 2HD1 LEU 58 0.652 6.916 -2.181 450 HD13 LEU 58 3HD1 LEU 58 0.791 8.589 -2.715 451 HD21 LEU 58 3HD2 LEU 58 -1.881 7.535 0.415 452 HD22 LEU 58 1HD2 LEU 58 -0.911 6.307 -0.393 453 HD23 LEU 58 2HD2 LEU 58 -0.147 7.435 0.727 454 H ARG 59 HN ARG 59 -2.880 12.012 -1.355 455 HA ARG 59 HA ARG 59 -1.661 14.264 -0.211 456 HB2 ARG 59 2HB ARG 59 -2.645 14.366 -2.418 457 HB3 ARG 59 3HB ARG 59 -4.240 14.020 -1.765 458 HG2 ARG 59 2HG ARG 59 -4.296 16.138 -0.639 459 HG3 ARG 59 3HG ARG 59 -2.631 16.481 -1.114 460 HD2 ARG 59 2HD ARG 59 -3.303 16.459 -3.468 461 HD3 ARG 59 3HD ARG 59 -4.965 16.120 -2.991 462 HE ARG 59 HE ARG 59 -4.873 18.338 -1.812 463 HH11 ARG 59 2HH1 ARG 59 -2.776 17.646 -4.529 464 HH12 ARG 59 1HH1 ARG 59 -2.672 19.298 -5.049 465 HH21 ARG 59 2HH2 ARG 59 -4.751 20.531 -2.495 466 HH22 ARG 59 1HH2 ARG 59 -3.806 20.938 -3.900 467 H GLU 60 HN GLU 60 -4.648 12.577 0.562 468 HA GLU 60 HA GLU 60 -5.477 14.630 2.415 469 HB2 GLU 60 2HB GLU 60 -6.639 11.868 1.991 470 HB3 GLU 60 3HB GLU 60 -7.387 13.185 2.884 471 HG2 GLU 60 2HG GLU 60 -7.292 14.499 0.710 472 HG3 GLU 60 3HG GLU 60 -6.921 12.967 -0.067 473 H GLU 61 HN GLU 61 -4.157 11.352 2.625 474 HA GLU 61 HA GLU 61 -4.252 11.473 5.534 475 HB2 GLU 61 2HB GLU 61 -3.517 9.270 3.621 476 HB3 GLU 61 3HB GLU 61 -3.323 9.132 5.369 477 HG2 GLU 61 2HG GLU 61 -5.908 9.677 3.954 478 HG3 GLU 61 3HG GLU 61 -5.375 8.121 4.596 479 H LEU 62 HN LEU 62 -1.849 11.487 2.952 480 HA LEU 62 HA LEU 62 0.238 11.503 5.032 481 HB2 LEU 62 2HB LEU 62 0.494 10.819 2.111 482 HB3 LEU 62 3HB LEU 62 1.779 10.752 3.301 483 HG LEU 62 HG LEU 62 -0.676 8.995 3.189 484 HD11 LEU 62 1HD1 LEU 62 0.988 7.219 2.861 485 HD12 LEU 62 2HD1 LEU 62 1.044 8.424 1.576 486 HD13 LEU 62 3HD1 LEU 62 2.269 8.431 2.844 487 HD21 LEU 62 3HD2 LEU 62 -0.086 9.545 5.515 488 HD22 LEU 62 1HD2 LEU 62 0.228 7.853 5.135 489 HD23 LEU 62 2HD2 LEU 62 1.565 9.000 5.217 490 H GLY 63 HN GLY 63 -1.410 13.744 3.375 491 HA2 GLY 63 2HA GLY 63 -0.999 15.844 2.619 492 HA3 GLY 63 3HA GLY 63 0.342 15.810 3.743 493 H ILE 64 HN ILE 64 0.398 13.578 1.047 494 HA ILE 64 HA ILE 64 2.348 15.366 -0.247 495 HB ILE 64 HB ILE 64 3.616 13.386 -1.000 496 HG12 ILE 64 2HG1 ILE 64 1.904 11.856 0.970 497 HG13 ILE 64 3HG1 ILE 64 1.816 11.711 -0.783 498 HG21 ILE 64 1HG2 ILE 64 3.363 13.717 1.977 499 HG22 ILE 64 2HG2 ILE 64 4.704 12.907 1.161 500 HG23 ILE 64 3HG2 ILE 64 4.413 14.629 0.893 501 HD11 ILE 64 3HD1 ILE 64 4.142 10.920 -0.811 502 HD12 ILE 64 1HD1 ILE 64 4.173 11.003 0.951 503 HD13 ILE 64 2HD1 ILE 64 3.080 9.880 0.141 504 H GLU 65 HN GLU 65 2.386 15.489 -2.423 505 HA GLU 65 HA GLU 65 0.172 14.262 -3.888 506 HB2 GLU 65 2HB GLU 65 2.288 16.169 -4.903 507 HB3 GLU 65 3HB GLU 65 0.786 15.741 -5.703 508 HG2 GLU 65 2HG GLU 65 -0.498 16.926 -4.087 509 HG3 GLU 65 3HG GLU 65 0.922 17.181 -3.070 510 H ALA 66 HN ALA 66 0.759 12.139 -4.164 511 HA ALA 66 HA ALA 66 3.499 11.422 -4.648 512 HB1 ALA 66 1HB ALA 66 2.717 9.130 -4.602 513 HB2 ALA 66 2HB ALA 66 2.039 10.037 -3.247 514 HB3 ALA 66 3HB ALA 66 1.042 9.680 -4.657 515 H THR 67 HN THR 67 4.348 10.421 -6.437 516 HA THR 67 HA THR 67 2.778 10.623 -8.920 517 HB THR 67 HB THR 67 5.795 10.451 -8.610 518 HG1 THR 67 1HG THR 67 5.712 12.550 -8.380 519 HG21 THR 67 3HG2 THR 67 4.909 9.504 -10.718 520 HG22 THR 67 1HG2 THR 67 5.875 10.955 -10.987 521 HG23 THR 67 2HG2 THR 67 4.116 11.043 -11.053 522 H VAL 68 HN VAL 68 1.838 8.673 -9.228 523 HA VAL 68 HA VAL 68 3.099 6.286 -8.170 524 HB VAL 68 HB VAL 68 0.494 6.517 -9.680 525 HG11 VAL 68 1HG1 VAL 68 1.580 4.343 -7.891 526 HG12 VAL 68 2HG1 VAL 68 -0.020 4.360 -8.636 527 HG13 VAL 68 3HG1 VAL 68 1.424 4.265 -9.647 528 HG21 VAL 68 3HG2 VAL 68 0.420 7.898 -7.678 529 HG22 VAL 68 1HG2 VAL 68 -0.594 6.469 -7.480 530 HG23 VAL 68 2HG2 VAL 68 0.988 6.542 -6.704 531 H GLY 69 HN GLY 69 4.093 4.725 -9.360 532 HA2 GLY 69 2HA GLY 69 3.618 4.183 -12.057 533 HA3 GLY 69 3HA GLY 69 4.956 5.312 -11.974 534 H GLU 70 HN GLU 70 3.830 2.187 -10.755 535 HA GLU 70 HA GLU 70 5.946 0.628 -11.434 536 HB2 GLU 70 2HB GLU 70 6.347 1.904 -8.759 537 HB3 GLU 70 3HB GLU 70 6.774 0.212 -8.961 538 HG2 GLU 70 2HG GLU 70 7.896 2.581 -10.391 539 HG3 GLU 70 3HG GLU 70 8.725 1.494 -9.267 540 H TYR 71 HN TYR 71 4.492 -0.998 -11.716 541 HA TYR 71 HA TYR 71 2.622 -1.667 -9.597 542 HB2 TYR 71 2HB TYR 71 2.012 -1.839 -12.028 543 HB3 TYR 71 3HB TYR 71 3.157 -3.168 -12.173 544 HD1 TYR 71 2HD TYR 71 0.129 -2.121 -10.268 545 HD2 TYR 71 1HD TYR 71 2.441 -5.352 -11.781 546 HE1 TYR 71 2HE TYR 71 -1.633 -3.692 -9.587 547 HE2 TYR 71 1HE TYR 71 0.684 -6.935 -11.104 548 HH TYR 71 HH TYR 71 -1.172 -7.085 -9.553 549 H VAL 72 HN VAL 72 3.276 -2.819 -7.899 550 HA VAL 72 HA VAL 72 5.684 -4.463 -8.155 551 HB VAL 72 HB VAL 72 4.158 -3.537 -5.718 552 HG11 VAL 72 1HG1 VAL 72 5.994 -4.436 -4.391 553 HG12 VAL 72 2HG1 VAL 72 5.192 -5.717 -5.304 554 HG13 VAL 72 3HG1 VAL 72 6.748 -5.082 -5.851 555 HG21 VAL 72 3HG2 VAL 72 6.854 -2.715 -6.800 556 HG22 VAL 72 1HG2 VAL 72 5.372 -1.763 -6.888 557 HG23 VAL 72 2HG2 VAL 72 6.100 -2.116 -5.322 558 H ALA 73 HN ALA 73 2.707 -4.856 -6.221 559 HA ALA 73 HA ALA 73 2.356 -7.532 -7.340 560 HB1 ALA 73 1HB ALA 73 2.761 -7.074 -4.386 561 HB2 ALA 73 2HB ALA 73 2.338 -8.607 -5.149 562 HB3 ALA 73 3HB ALA 73 3.903 -7.862 -5.475 563 H SER 74 HN SER 74 0.362 -8.592 -6.457 564 HA SER 74 HA SER 74 -1.579 -6.695 -5.361 565 HB2 SER 74 2HB SER 74 -3.293 -7.750 -6.916 566 HB3 SER 74 3HB SER 74 -2.111 -6.692 -7.689 567 HG SER 74 HG SER 74 -1.183 -9.221 -7.590 568 H HIS 75 HN HIS 75 -3.099 -7.634 -3.990 569 HA HIS 75 HA HIS 75 -2.829 -10.515 -3.513 570 HB2 HIS 75 2HB HIS 75 -1.356 -9.493 -1.887 571 HB3 HIS 75 3HB HIS 75 -2.614 -8.368 -1.395 572 HD1 HIS 75 1HD HIS 75 -1.969 -12.117 -1.382 573 HD2 HIS 75 2HD HIS 75 -4.093 -9.217 0.715 574 HE1 HIS 75 1HE HIS 75 -2.979 -13.307 0.596 575 HE2 HIS 75 2HE HIS 75 -4.258 -11.535 1.856 576 H GLN 76 HN GLN 76 -4.695 -11.529 -3.080 577 HA GLN 76 HA GLN 76 -7.064 -9.821 -2.732 578 HB2 GLN 76 2HB GLN 76 -6.751 -12.519 -4.017 579 HB3 GLN 76 3HB GLN 76 -8.322 -11.911 -3.508 580 HG2 GLN 76 2HG GLN 76 -7.865 -9.882 -4.908 581 HG3 GLN 76 3HG GLN 76 -6.471 -10.744 -5.564 582 HE21 GLN 76 1HE2 GLN 76 -6.828 -12.589 -6.848 583 HE22 GLN 76 2HE2 GLN 76 -8.361 -12.883 -7.602 584 H ARG 77 HN ARG 77 -8.553 -10.259 -1.230 585 HA ARG 77 HA ARG 77 -8.442 -12.549 0.494 586 HB2 ARG 77 2HB ARG 77 -8.043 -11.342 2.575 587 HB3 ARG 77 3HB ARG 77 -6.667 -11.137 1.503 588 HG2 ARG 77 2HG ARG 77 -7.523 -8.918 0.867 589 HG3 ARG 77 3HG ARG 77 -8.851 -9.129 2.010 590 HD2 ARG 77 2HD ARG 77 -5.912 -9.084 2.681 591 HD3 ARG 77 3HD ARG 77 -7.062 -7.785 2.979 592 HE ARG 77 HE ARG 77 -7.506 -10.403 4.227 593 HH11 ARG 77 2HH1 ARG 77 -6.728 -7.007 4.525 594 HH12 ARG 77 1HH1 ARG 77 -6.897 -6.983 6.246 595 HH21 ARG 77 2HH2 ARG 77 -7.722 -10.399 6.500 596 HH22 ARG 77 1HH2 ARG 77 -7.490 -8.914 7.375 597 H GLU 78 HN GLU 78 -10.222 -12.072 2.343 598 HA GLU 78 HA GLU 78 -12.300 -10.504 0.972 599 HB2 GLU 78 2HB GLU 78 -13.975 -12.046 1.583 600 HB3 GLU 78 3HB GLU 78 -12.641 -13.012 0.967 601 HG2 GLU 78 2HG GLU 78 -11.983 -13.634 3.170 602 HG3 GLU 78 3HG GLU 78 -13.131 -12.503 3.883 603 H VAL 79 HN VAL 79 -13.755 -9.363 2.175 604 HA VAL 79 HA VAL 79 -13.195 -9.107 5.044 605 HB VAL 79 HB VAL 79 -12.500 -7.028 4.108 606 HG11 VAL 79 1HG1 VAL 79 -14.021 -5.612 2.740 607 HG12 VAL 79 2HG1 VAL 79 -13.505 -7.094 1.936 608 HG13 VAL 79 3HG1 VAL 79 -15.125 -6.984 2.629 609 HG21 VAL 79 3HG2 VAL 79 -15.262 -6.718 5.272 610 HG22 VAL 79 1HG2 VAL 79 -13.746 -6.825 6.168 611 HG23 VAL 79 2HG2 VAL 79 -14.061 -5.434 5.131 612 H SER 80 HN SER 80 -14.716 -10.476 5.761 613 HA SER 80 HA SER 80 -16.724 -11.491 6.103 614 HB2 SER 80 2HB SER 80 -17.697 -8.632 5.911 615 HB3 SER 80 3HB SER 80 -18.550 -9.963 6.694 616 HG SER 80 HG SER 80 -16.580 -8.383 7.669 617 H GLY 81 HN GLY 81 -16.397 -12.373 3.794 618 HA2 GLY 81 2HA GLY 81 -17.698 -13.273 2.111 619 HA3 GLY 81 3HA GLY 81 -18.948 -12.097 2.465 620 H ARG 82 HN ARG 82 -16.806 -9.906 2.149 621 HA ARG 82 HA ARG 82 -17.206 -9.686 -0.741 622 HB2 ARG 82 2HB ARG 82 -16.136 -7.617 1.189 623 HB3 ARG 82 3HB ARG 82 -16.633 -7.340 -0.474 624 HG2 ARG 82 2HG ARG 82 -18.932 -7.919 0.118 625 HG3 ARG 82 3HG ARG 82 -18.430 -8.171 1.793 626 HD2 ARG 82 2HD ARG 82 -17.600 -5.793 1.782 627 HD3 ARG 82 3HD ARG 82 -18.397 -5.600 0.221 628 HE ARG 82 HE ARG 82 -20.081 -6.587 2.364 629 HH11 ARG 82 2HH1 ARG 82 -18.933 -3.776 0.613 630 HH12 ARG 82 1HH1 ARG 82 -20.267 -2.773 1.087 631 HH21 ARG 82 2HH2 ARG 82 -21.831 -5.274 2.998 632 HH22 ARG 82 1HH2 ARG 82 -21.910 -3.620 2.458 633 H ILE 83 HN ILE 83 -15.522 -9.539 -2.219 634 HA ILE 83 HA ILE 83 -12.972 -10.524 -1.167 635 HB ILE 83 HB ILE 83 -14.156 -10.573 -3.942 636 HG12 ILE 83 2HG1 ILE 83 -13.669 -13.030 -3.689 637 HG13 ILE 83 3HG1 ILE 83 -13.211 -12.714 -2.024 638 HG21 ILE 83 1HG2 ILE 83 -11.336 -11.311 -3.166 639 HG22 ILE 83 2HG2 ILE 83 -12.083 -11.603 -4.737 640 HG23 ILE 83 3HG2 ILE 83 -11.815 -9.951 -4.182 641 HD11 ILE 83 3HD1 ILE 83 -15.467 -11.965 -1.532 642 HD12 ILE 83 1HD1 ILE 83 -15.932 -12.236 -3.214 643 HD13 ILE 83 2HD1 ILE 83 -15.466 -13.600 -2.196 644 H ILE 84 HN ILE 84 -11.483 -9.077 -0.755 645 HA ILE 84 HA ILE 84 -11.459 -6.529 -2.162 646 HB ILE 84 HB ILE 84 -9.231 -6.844 -0.370 647 HG12 ILE 84 2HG1 ILE 84 -11.936 -7.633 0.656 648 HG13 ILE 84 3HG1 ILE 84 -10.357 -8.321 1.034 649 HG21 ILE 84 1HG2 ILE 84 -11.643 -5.078 -0.124 650 HG22 ILE 84 2HG2 ILE 84 -10.037 -4.808 0.550 651 HG23 ILE 84 3HG2 ILE 84 -10.277 -4.740 -1.199 652 HD11 ILE 84 3HD1 ILE 84 -11.424 -5.654 1.944 653 HD12 ILE 84 1HD1 ILE 84 -11.203 -7.109 2.934 654 HD13 ILE 84 2HD1 ILE 84 -9.797 -6.272 2.280 655 H HIS 85 HN HIS 85 -9.942 -5.862 -3.518 656 HA HIS 85 HA HIS 85 -7.813 -7.763 -4.264 657 HB2 HIS 85 2HB HIS 85 -9.813 -7.226 -5.893 658 HB3 HIS 85 3HB HIS 85 -8.950 -5.718 -6.149 659 HD1 HIS 85 1HD HIS 85 -9.261 -8.966 -7.533 660 HD2 HIS 85 2HD HIS 85 -6.096 -6.334 -6.960 661 HE1 HIS 85 1HE HIS 85 -7.481 -9.692 -9.150 662 HE2 HIS 85 2HE HIS 85 -5.620 -8.014 -8.874 663 H LEU 86 HN LEU 86 -6.059 -6.900 -3.221 664 HA LEU 86 HA LEU 86 -5.764 -4.006 -3.121 665 HB2 LEU 86 2HB LEU 86 -4.313 -6.271 -1.788 666 HB3 LEU 86 3HB LEU 86 -3.667 -4.643 -1.761 667 HG LEU 86 HG LEU 86 -6.027 -4.024 -0.809 668 HD11 LEU 86 1HD1 LEU 86 -6.969 -5.788 0.591 669 HD12 LEU 86 2HD1 LEU 86 -7.062 -6.181 -1.125 670 HD13 LEU 86 3HD1 LEU 86 -5.836 -6.944 -0.111 671 HD21 LEU 86 3HD2 LEU 86 -3.923 -5.440 0.813 672 HD22 LEU 86 1HD2 LEU 86 -3.931 -3.733 0.367 673 HD23 LEU 86 2HD2 LEU 86 -5.169 -4.367 1.453 674 H HIS 87 HN HIS 87 -4.497 -2.858 -4.360 675 HA HIS 87 HA HIS 87 -2.592 -4.240 -6.148 676 HB2 HIS 87 2HB HIS 87 -3.811 -1.480 -6.461 677 HB3 HIS 87 3HB HIS 87 -2.803 -2.312 -7.633 678 HD1 HIS 87 1HD HIS 87 -4.345 -2.646 -9.557 679 HD2 HIS 87 2HD HIS 87 -6.111 -3.700 -5.947 680 HE1 HIS 87 1HE HIS 87 -6.580 -3.614 -10.157 681 HE2 HIS 87 2HE HIS 87 -7.721 -4.040 -7.950 682 H ALA 88 HN ALA 88 -0.532 -4.063 -5.400 683 HA ALA 88 HA ALA 88 0.161 -1.802 -3.693 684 HB1 ALA 88 1HB ALA 88 0.887 -3.997 -2.958 685 HB2 ALA 88 2HB ALA 88 1.781 -4.232 -4.465 686 HB3 ALA 88 3HB ALA 88 2.284 -2.984 -3.325 687 H TRP 89 HN TRP 89 0.620 -0.003 -4.722 688 HA TRP 89 HA TRP 89 2.282 -0.135 -7.144 689 HB2 TRP 89 2HB TRP 89 0.350 1.955 -6.148 690 HB3 TRP 89 3HB TRP 89 1.512 2.285 -7.425 691 HD1 TRP 89 1HD TRP 89 -1.702 0.316 -6.740 692 HE1 TRP 89 1HE TRP 89 -2.721 -0.387 -9.002 693 HE3 TRP 89 3HE TRP 89 2.106 1.751 -9.839 694 HZ2 TRP 89 2HZ TRP 89 -2.004 -0.342 -11.729 695 HZ3 TRP 89 3HZ TRP 89 1.860 1.385 -12.258 696 HH2 TRP 89 2HH TRP 89 -0.153 0.360 -13.182 697 H HIS 90 HN HIS 90 4.249 0.635 -7.117 698 HA HIS 90 HA HIS 90 5.285 1.848 -4.670 699 HB2 HIS 90 2HB HIS 90 6.656 0.093 -5.492 700 HB3 HIS 90 3HB HIS 90 6.574 0.689 -7.138 701 HD1 HIS 90 1HD HIS 90 8.103 2.758 -7.718 702 HD2 HIS 90 2HD HIS 90 8.707 1.117 -3.952 703 HE1 HIS 90 1HE HIS 90 10.329 3.635 -6.951 704 HE2 HIS 90 2HE HIS 90 10.786 2.401 -4.801 705 H VAL 91 HN VAL 91 5.314 3.999 -4.486 706 HA VAL 91 HA VAL 91 5.183 5.625 -6.901 707 HB VAL 91 HB VAL 91 4.888 7.554 -5.336 708 HG11 VAL 91 1HG1 VAL 91 2.944 5.266 -5.063 709 HG12 VAL 91 2HG1 VAL 91 2.588 6.955 -4.702 710 HG13 VAL 91 3HG1 VAL 91 2.975 6.469 -6.352 711 HG21 VAL 91 3HG2 VAL 91 4.328 7.090 -3.001 712 HG22 VAL 91 1HG2 VAL 91 4.736 5.391 -3.240 713 HG23 VAL 91 2HG2 VAL 91 5.989 6.625 -3.369 714 HA PRO 92 HA PRO 92 9.635 5.926 -6.585 715 HB2 PRO 92 2HB PRO 92 9.988 7.117 -8.997 716 HB3 PRO 92 3HB PRO 92 9.691 5.384 -8.817 717 HG2 PRO 92 2HG PRO 92 7.789 7.568 -9.565 718 HG3 PRO 92 3HG PRO 92 7.925 5.927 -10.228 719 HD2 PRO 92 2HD PRO 92 6.042 6.659 -8.401 720 HD3 PRO 92 3HD PRO 92 6.686 5.011 -8.536 721 H ASP 93 HN ASP 93 7.292 8.391 -6.702 722 HA ASP 93 HA ASP 93 9.137 10.318 -5.595 723 HB2 ASP 93 2HB ASP 93 9.502 10.723 -7.952 724 HB3 ASP 93 3HB ASP 93 7.769 10.819 -8.243 725 H PHE 94 HN PHE 94 8.129 12.001 -4.519 726 HA PHE 94 HA PHE 94 5.254 12.326 -4.726 727 HB2 PHE 94 2HB PHE 94 4.918 12.244 -2.280 728 HB3 PHE 94 3HB PHE 94 5.439 10.690 -2.914 729 HD1 PHE 94 1HD PHE 94 7.825 9.986 -2.594 730 HD2 PHE 94 2HD PHE 94 6.145 13.365 -0.627 731 HE1 PHE 94 1HE PHE 94 9.650 9.931 -0.945 732 HE2 PHE 94 2HE PHE 94 7.969 13.318 1.022 733 HZ PHE 94 HZ PHE 94 9.724 11.602 0.865 734 H HIS 95 HN HIS 95 4.605 14.396 -4.384 735 HA HIS 95 HA HIS 95 6.751 16.362 -3.982 736 HB2 HIS 95 2HB HIS 95 5.349 16.375 -6.073 737 HB3 HIS 95 3HB HIS 95 3.960 16.767 -5.075 738 HD1 HIS 95 1HD HIS 95 3.455 19.177 -4.866 739 HD2 HIS 95 2HD HIS 95 7.442 18.484 -5.865 740 HE1 HIS 95 1HE HIS 95 4.457 21.444 -5.306 741 HE2 HIS 95 2HE HIS 95 6.808 20.988 -6.085 742 H GLY 96 HN GLY 96 6.778 17.671 -2.224 743 HA2 GLY 96 2HA GLY 96 5.597 18.994 -0.565 744 HA3 GLY 96 3HA GLY 96 4.368 17.737 -0.518 745 H THR 97 HN THR 97 4.659 17.666 1.805 746 HA THR 97 HA THR 97 6.977 16.003 2.510 747 HB THR 97 HB THR 97 5.760 18.050 4.371 748 HG1 THR 97 1HG THR 97 7.560 18.361 2.349 749 HG21 THR 97 3HG2 THR 97 8.319 16.447 4.518 750 HG22 THR 97 1HG2 THR 97 6.857 16.138 5.456 751 HG23 THR 97 2HG2 THR 97 7.769 17.628 5.706 752 H LEU 98 HN LEU 98 6.545 14.318 3.906 753 HA LEU 98 HA LEU 98 3.765 13.534 3.789 754 HB2 LEU 98 2HB LEU 98 4.729 11.358 4.812 755 HB3 LEU 98 3HB LEU 98 5.009 11.746 3.129 756 HG LEU 98 HG LEU 98 7.225 12.822 4.155 757 HD11 LEU 98 1HD1 LEU 98 8.113 11.373 5.914 758 HD12 LEU 98 2HD1 LEU 98 6.691 12.263 6.459 759 HD13 LEU 98 3HD1 LEU 98 6.553 10.558 6.029 760 HD21 LEU 98 3HD2 LEU 98 6.971 11.120 2.378 761 HD22 LEU 98 1HD2 LEU 98 8.362 10.841 3.433 762 HD23 LEU 98 2HD2 LEU 98 6.896 9.877 3.628 763 H GLN 99 HN GLN 99 2.382 13.578 5.293 764 HA GLN 99 HA GLN 99 3.185 13.817 8.096 765 HB2 GLN 99 2HB GLN 99 1.701 15.724 8.420 766 HB3 GLN 99 3HB GLN 99 2.888 16.104 7.174 767 HG2 GLN 99 2HG GLN 99 1.112 15.421 5.492 768 HG3 GLN 99 3HG GLN 99 -0.023 15.479 6.841 769 HE21 GLN 99 1HE2 GLN 99 -0.503 17.465 7.790 770 HE22 GLN 99 2HE2 GLN 99 -0.141 18.969 7.009 771 H ALA 100 HN ALA 100 1.685 12.844 9.499 772 HA ALA 100 HA ALA 100 -0.089 11.028 8.066 773 HB1 ALA 100 1HB ALA 100 1.630 10.156 9.620 774 HB2 ALA 100 2HB ALA 100 0.753 10.907 10.950 775 HB3 ALA 100 3HB ALA 100 -0.008 9.628 9.999 776 H HIS 101 HN HIS 101 -2.186 11.355 7.964 777 HA HIS 101 HA HIS 101 -3.520 13.173 9.775 778 HB2 HIS 101 2HB HIS 101 -4.108 13.240 7.413 779 HB3 HIS 101 3HB HIS 101 -4.540 11.535 7.440 780 HD1 HIS 101 1HD HIS 101 -6.992 11.324 7.267 781 HD2 HIS 101 2HD HIS 101 -5.874 14.564 9.643 782 HE1 HIS 101 1HE HIS 101 -9.139 12.342 8.099 783 HE2 HIS 101 2HE HIS 101 -8.432 14.163 9.690 784 H GLU 102 HN GLU 102 -4.679 9.990 8.654 785 HA GLU 102 HA GLU 102 -5.867 9.467 11.224 786 HB2 GLU 102 2HB GLU 102 -5.775 8.096 8.572 787 HB3 GLU 102 3HB GLU 102 -6.233 7.152 9.991 788 HG2 GLU 102 2HG GLU 102 -7.595 9.618 8.934 789 HG3 GLU 102 3HG GLU 102 -8.213 7.967 8.914 790 H HIS 103 HN HIS 103 -2.959 8.567 9.574 791 HA HIS 103 HA HIS 103 -2.410 6.361 11.362 792 HB2 HIS 103 2HB HIS 103 -0.488 7.636 9.394 793 HB3 HIS 103 3HB HIS 103 -0.392 6.026 10.098 794 HD1 HIS 103 1HD HIS 103 -1.212 4.193 8.585 795 HD2 HIS 103 2HD HIS 103 -2.947 7.872 7.685 796 HE1 HIS 103 1HE HIS 103 -2.657 3.793 6.577 797 HE2 HIS 103 2HE HIS 103 -3.864 5.965 6.205 798 H GLN 104 HN GLN 104 -0.390 6.383 12.705 799 HA GLN 104 HA GLN 104 -0.441 8.923 14.151 800 HB2 GLN 104 2HB GLN 104 -0.955 6.783 15.323 801 HB3 GLN 104 3HB GLN 104 0.700 6.267 15.030 802 HG2 GLN 104 2HG GLN 104 1.567 7.994 16.423 803 HG3 GLN 104 3HG GLN 104 -0.019 8.751 16.562 804 HE21 GLN 104 1HE2 GLN 104 -1.581 7.821 17.869 805 HE22 GLN 104 2HE2 GLN 104 -1.178 6.643 19.077 806 H ALA 105 HN ALA 105 2.114 6.503 13.512 807 HA ALA 105 HA ALA 105 3.989 8.761 13.252 808 HB1 ALA 105 1HB ALA 105 4.411 7.445 15.264 809 HB2 ALA 105 2HB ALA 105 4.562 5.985 14.287 810 HB3 ALA 105 3HB ALA 105 5.739 7.287 14.114 811 H LEU 106 HN LEU 106 5.682 8.564 11.705 812 HA LEU 106 HA LEU 106 5.179 6.552 9.611 813 HB2 LEU 106 2HB LEU 106 5.276 9.485 9.442 814 HB3 LEU 106 3HB LEU 106 6.317 8.680 8.286 815 HG LEU 106 HG LEU 106 4.451 7.504 7.321 816 HD11 LEU 106 1HD1 LEU 106 2.845 8.749 9.537 817 HD12 LEU 106 2HD1 LEU 106 2.132 8.014 8.100 818 HD13 LEU 106 3HD1 LEU 106 3.093 7.036 9.208 819 HD21 LEU 106 3HD2 LEU 106 3.179 9.393 6.433 820 HD22 LEU 106 1HD2 LEU 106 3.813 10.427 7.712 821 HD23 LEU 106 2HD2 LEU 106 4.903 9.754 6.501 822 H VAL 107 HN VAL 107 6.950 5.441 8.979 823 HA VAL 107 HA VAL 107 9.579 6.453 9.822 824 HB VAL 107 HB VAL 107 8.772 4.870 11.526 825 HG11 VAL 107 1HG1 VAL 107 8.720 2.852 9.285 826 HG12 VAL 107 2HG1 VAL 107 8.471 2.503 10.996 827 HG13 VAL 107 3HG1 VAL 107 7.317 3.514 10.125 828 HG21 VAL 107 3HG2 VAL 107 10.718 3.364 11.548 829 HG22 VAL 107 1HG2 VAL 107 11.069 3.812 9.879 830 HG23 VAL 107 2HG2 VAL 107 11.163 5.025 11.156 831 H TRP 108 HN TRP 108 11.314 5.807 8.569 832 HA TRP 108 HA TRP 108 10.638 4.492 6.026 833 HB2 TRP 108 2HB TRP 108 13.031 6.209 6.738 834 HB3 TRP 108 3HB TRP 108 12.744 5.467 5.171 835 HD1 TRP 108 1HD TRP 108 10.721 6.510 3.688 836 HE1 TRP 108 1HE TRP 108 9.715 8.879 3.677 837 HE3 TRP 108 3HE TRP 108 12.455 8.146 8.207 838 HZ2 TRP 108 2HZ TRP 108 9.668 11.140 5.362 839 HZ3 TRP 108 3HZ TRP 108 11.886 10.426 8.933 840 HH2 TRP 108 2HH TRP 108 10.521 11.893 7.536 841 H CYS 109 HN CYS 109 11.080 2.375 6.058 842 HA CYS 109 HA CYS 109 13.680 1.581 7.177 843 HB2 CYS 109 2HB CYS 109 12.690 -0.491 8.097 844 HB3 CYS 109 3HB CYS 109 12.072 0.961 8.874 845 HG CYS 109 HG CYS 109 10.049 0.307 6.428 846 H SER 110 HN SER 110 14.528 -0.414 6.304 847 HA SER 110 HA SER 110 14.228 -0.473 3.469 848 HB2 SER 110 2HB SER 110 15.682 -2.420 5.281 849 HB3 SER 110 3HB SER 110 15.911 -2.245 3.540 850 HG SER 110 HG SER 110 17.499 -1.128 4.816 851 HA PRO 111 HA PRO 111 10.992 -3.338 2.691 852 HB2 PRO 111 2HB PRO 111 12.375 -5.200 1.089 853 HB3 PRO 111 3HB PRO 111 11.473 -3.791 0.531 854 HG2 PRO 111 2HG PRO 111 14.396 -4.117 0.971 855 HG3 PRO 111 3HG PRO 111 13.540 -3.144 -0.239 856 HD2 PRO 111 2HD PRO 111 14.709 -2.009 1.885 857 HD3 PRO 111 3HD PRO 111 13.164 -1.398 1.254 858 H GLU 112 HN GLU 112 14.091 -5.005 3.256 859 HA GLU 112 HA GLU 112 12.941 -7.416 4.161 860 HB2 GLU 112 2HB GLU 112 15.213 -7.917 5.002 861 HB3 GLU 112 3HB GLU 112 15.217 -7.338 3.341 862 HG2 GLU 112 2HG GLU 112 15.809 -5.087 4.178 863 HG3 GLU 112 3HG GLU 112 15.923 -5.761 5.803 864 H GLU 113 HN GLU 113 13.917 -4.476 5.814 865 HA GLU 113 HA GLU 113 13.633 -5.521 8.457 866 HB2 GLU 113 2HB GLU 113 13.665 -2.653 7.493 867 HB3 GLU 113 3HB GLU 113 13.839 -3.170 9.162 868 HG2 GLU 113 2HG GLU 113 15.741 -3.876 6.939 869 HG3 GLU 113 3HG GLU 113 15.972 -2.557 8.086 870 H ALA 114 HN ALA 114 11.578 -3.879 6.168 871 HA ALA 114 HA ALA 114 9.528 -3.017 7.861 872 HB1 ALA 114 1HB ALA 114 8.154 -2.896 5.860 873 HB2 ALA 114 2HB ALA 114 9.780 -2.298 5.530 874 HB3 ALA 114 3HB ALA 114 9.305 -3.908 4.988 875 H LEU 115 HN LEU 115 10.057 -6.126 6.293 876 HA LEU 115 HA LEU 115 7.463 -7.146 6.961 877 HB2 LEU 115 2HB LEU 115 9.367 -7.820 5.136 878 HB3 LEU 115 3HB LEU 115 9.608 -9.068 6.340 879 HG LEU 115 HG LEU 115 8.049 -9.602 4.386 880 HD11 LEU 115 1HD1 LEU 115 8.163 -10.966 6.416 881 HD12 LEU 115 2HD1 LEU 115 6.950 -9.928 7.171 882 HD13 LEU 115 3HD1 LEU 115 6.530 -10.889 5.752 883 HD21 LEU 115 3HD2 LEU 115 5.786 -8.830 4.500 884 HD22 LEU 115 1HD2 LEU 115 6.110 -7.944 5.990 885 HD23 LEU 115 2HD2 LEU 115 6.849 -7.424 4.476 886 H GLN 116 HN GLN 116 10.339 -6.727 8.701 887 HA GLN 116 HA GLN 116 9.993 -8.934 10.515 888 HB2 GLN 116 2HB GLN 116 11.641 -6.429 10.848 889 HB3 GLN 116 3HB GLN 116 11.786 -7.913 11.783 890 HG2 GLN 116 2HG GLN 116 12.387 -7.561 8.858 891 HG3 GLN 116 3HG GLN 116 13.546 -7.779 10.161 892 HE21 GLN 116 1HE2 GLN 116 13.051 -9.338 7.742 893 HE22 GLN 116 2HE2 GLN 116 12.764 -10.962 8.280 894 H TYR 117 HN TYR 117 8.412 -6.066 10.021 895 HA TYR 117 HA TYR 117 7.890 -5.566 12.859 896 HB2 TYR 117 2HB TYR 117 7.824 -3.873 10.393 897 HB3 TYR 117 3HB TYR 117 6.893 -3.389 11.802 898 HD1 TYR 117 2HD TYR 117 8.237 -3.331 14.068 899 HD2 TYR 117 1HD TYR 117 10.021 -3.257 10.225 900 HE1 TYR 117 2HE TYR 117 10.287 -2.394 15.050 901 HE2 TYR 117 1HE TYR 117 12.086 -2.318 11.184 902 HH TYR 117 HH TYR 117 12.779 -2.365 14.428 903 HA PRO 118 HA PRO 118 3.690 -6.776 12.596 904 HB2 PRO 118 2HB PRO 118 2.260 -4.837 13.814 905 HB3 PRO 118 3HB PRO 118 3.364 -5.897 14.699 906 HG2 PRO 118 2HG PRO 118 3.780 -3.099 13.734 907 HG3 PRO 118 3HG PRO 118 4.228 -3.823 15.288 908 HD2 PRO 118 2HD PRO 118 5.987 -3.455 13.240 909 HD3 PRO 118 3HD PRO 118 6.161 -4.762 14.418 910 H LEU 119 HN LEU 119 3.969 -6.346 10.183 911 HA LEU 119 HA LEU 119 2.401 -4.182 9.102 912 HB2 LEU 119 2HB LEU 119 3.811 -6.568 7.961 913 HB3 LEU 119 3HB LEU 119 2.694 -5.652 6.969 914 HG LEU 119 HG LEU 119 5.187 -4.563 8.285 915 HD11 LEU 119 1HD1 LEU 119 4.579 -5.194 5.401 916 HD12 LEU 119 2HD1 LEU 119 6.039 -4.405 5.997 917 HD13 LEU 119 3HD1 LEU 119 5.694 -6.073 6.449 918 HD21 LEU 119 3HD2 LEU 119 3.244 -3.264 6.383 919 HD22 LEU 119 1HD2 LEU 119 3.435 -2.877 8.091 920 HD23 LEU 119 2HD2 LEU 119 4.752 -2.558 6.963 921 H ALA 120 HN ALA 120 0.392 -4.405 8.048 922 HA ALA 120 HA ALA 120 -1.438 -6.125 9.340 923 HB1 ALA 120 1HB ALA 120 -1.819 -4.516 6.818 924 HB2 ALA 120 2HB ALA 120 -3.100 -5.203 7.814 925 HB3 ALA 120 3HB ALA 120 -2.067 -3.928 8.461 926 HA PRO 121 HA PRO 121 -1.450 -9.977 7.349 927 HB2 PRO 121 2HB PRO 121 -4.126 -10.142 6.498 928 HB3 PRO 121 3HB PRO 121 -3.476 -10.672 8.049 929 HG2 PRO 121 2HG PRO 121 -4.860 -8.131 7.342 930 HG3 PRO 121 3HG PRO 121 -4.936 -9.076 8.842 931 HD2 PRO 121 2HD PRO 121 -3.529 -6.813 8.717 932 HD3 PRO 121 3HD PRO 121 -2.918 -8.217 9.624 933 H ALA 122 HN ALA 122 -2.969 -7.401 5.456 934 HA ALA 122 HA ALA 122 -2.752 -8.935 3.003 935 HB1 ALA 122 1HB ALA 122 -3.770 -6.979 1.936 936 HB2 ALA 122 2HB ALA 122 -4.699 -7.514 3.338 937 HB3 ALA 122 3HB ALA 122 -3.660 -6.093 3.457 938 H ASP 123 HN ASP 123 -0.871 -6.710 4.772 939 HA ASP 123 HA ASP 123 0.465 -5.507 2.513 940 HB2 ASP 123 2HB ASP 123 0.993 -5.328 5.490 941 HB3 ASP 123 3HB ASP 123 1.803 -4.356 4.267 942 H ILE 124 HN ILE 124 0.897 -8.217 4.565 943 HA ILE 124 HA ILE 124 3.704 -8.436 4.515 944 HB ILE 124 HB ILE 124 1.623 -10.601 4.845 945 HG12 ILE 124 2HG1 ILE 124 3.232 -9.064 6.897 946 HG13 ILE 124 3HG1 ILE 124 1.533 -8.786 6.525 947 HG21 ILE 124 1HG2 ILE 124 3.790 -11.522 4.169 948 HG22 ILE 124 2HG2 ILE 124 4.568 -10.672 5.503 949 HG23 ILE 124 3HG2 ILE 124 3.393 -11.947 5.834 950 HD11 ILE 124 3HD1 ILE 124 0.997 -11.032 7.301 951 HD12 ILE 124 1HD1 ILE 124 2.700 -11.311 7.670 952 HD13 ILE 124 2HD1 ILE 124 1.795 -10.084 8.557 953 HA PRO 125 HA PRO 125 3.110 -11.536 0.765 954 HB2 PRO 125 2HB PRO 125 0.763 -11.115 -0.638 955 HB3 PRO 125 3HB PRO 125 1.023 -12.419 0.521 956 HG2 PRO 125 2HG PRO 125 -0.338 -9.792 0.899 957 HG3 PRO 125 3HG PRO 125 -0.786 -11.390 1.525 958 HD2 PRO 125 2HD PRO 125 0.400 -9.561 3.079 959 HD3 PRO 125 3HD PRO 125 0.764 -11.290 3.240 960 H LEU 126 HN LEU 126 1.928 -8.248 0.824 961 HA LEU 126 HA LEU 126 2.576 -7.693 -1.921 962 HB2 LEU 126 2HB LEU 126 1.999 -5.835 0.393 963 HB3 LEU 126 3HB LEU 126 2.170 -5.331 -1.277 964 HG LEU 126 HG LEU 126 0.016 -7.156 -0.208 965 HD11 LEU 126 1HD1 LEU 126 -0.293 -4.866 0.525 966 HD12 LEU 126 2HD1 LEU 126 -0.089 -4.288 -1.128 967 HD13 LEU 126 3HD1 LEU 126 -1.485 -5.280 -0.707 968 HD21 LEU 126 3HD2 LEU 126 0.446 -6.023 -2.968 969 HD22 LEU 126 1HD2 LEU 126 0.607 -7.714 -2.497 970 HD23 LEU 126 2HD2 LEU 126 -0.971 -6.930 -2.441 971 H LEU 127 HN LEU 127 4.032 -7.052 1.240 972 HA LEU 127 HA LEU 127 6.305 -5.706 0.176 973 HB2 LEU 127 2HB LEU 127 5.386 -5.510 2.525 974 HB3 LEU 127 3HB LEU 127 6.087 -7.080 2.850 975 HG LEU 127 HG LEU 127 7.406 -5.051 3.631 976 HD11 LEU 127 1HD1 LEU 127 8.383 -7.293 3.457 977 HD12 LEU 127 2HD1 LEU 127 8.822 -6.959 1.782 978 HD13 LEU 127 3HD1 LEU 127 9.550 -6.023 3.088 979 HD21 LEU 127 3HD2 LEU 127 7.093 -3.657 1.667 980 HD22 LEU 127 1HD2 LEU 127 8.809 -3.951 1.955 981 HD23 LEU 127 2HD2 LEU 127 7.965 -4.829 0.678 982 H GLU 128 HN GLU 128 5.606 -9.061 1.109 983 HA GLU 128 HA GLU 128 8.097 -10.207 0.881 984 HB2 GLU 128 2HB GLU 128 5.350 -11.202 0.181 985 HB3 GLU 128 3HB GLU 128 6.761 -12.209 -0.104 986 HG2 GLU 128 2HG GLU 128 6.044 -11.030 2.567 987 HG3 GLU 128 3HG GLU 128 5.587 -12.649 2.039 988 H ALA 129 HN ALA 129 5.822 -9.431 -1.746 989 HA ALA 129 HA ALA 129 7.645 -10.450 -3.731 990 HB1 ALA 129 1HB ALA 129 5.205 -10.584 -4.036 991 HB2 ALA 129 2HB ALA 129 5.161 -8.822 -4.187 992 HB3 ALA 129 3HB ALA 129 6.049 -9.790 -5.368 993 H PHE 130 HN PHE 130 7.258 -7.454 -2.099 994 HA PHE 130 HA PHE 130 8.283 -5.825 -4.233 995 HB2 PHE 130 2HB PHE 130 6.866 -4.870 -2.439 996 HB3 PHE 130 3HB PHE 130 8.118 -5.260 -1.262 997 HD1 PHE 130 1HD PHE 130 7.247 -3.139 -4.122 998 HD2 PHE 130 2HD PHE 130 10.077 -3.910 -1.044 999 HE1 PHE 130 1HE PHE 130 8.320 -0.975 -4.576 1000 HE2 PHE 130 2HE PHE 130 11.164 -1.749 -1.496 1001 HZ PHE 130 HZ PHE 130 10.284 -0.278 -3.263 1002 H MET 131 HN MET 131 9.523 -7.159 -1.189 1003 HA MET 131 HA MET 131 12.217 -6.447 -1.706 1004 HB2 MET 131 2HB MET 131 12.796 -7.990 0.103 1005 HB3 MET 131 3HB MET 131 11.428 -6.981 0.563 1006 HG2 MET 131 2HG MET 131 9.909 -8.832 0.079 1007 HG3 MET 131 3HG MET 131 11.282 -9.842 -0.367 1008 HE1 MET 131 3HE MET 131 13.174 -10.205 3.038 1009 HE2 MET 131 1HE MET 131 13.125 -10.684 1.342 1010 HE3 MET 131 2HE MET 131 13.468 -9.008 1.777 1011 H ALA 132 HN ALA 132 10.248 -9.313 -2.494 1012 HA ALA 132 HA ALA 132 12.223 -10.872 -3.669 1013 HB1 ALA 132 1HB ALA 132 9.950 -11.672 -3.276 1014 HB2 ALA 132 2HB ALA 132 9.325 -10.548 -4.490 1015 HB3 ALA 132 3HB ALA 132 10.394 -11.872 -4.972 1016 H LEU 133 HN LEU 133 10.394 -8.139 -4.943 1017 HA LEU 133 HA LEU 133 11.248 -8.401 -7.629 1018 HB2 LEU 133 2HB LEU 133 9.599 -6.637 -6.106 1019 HB3 LEU 133 3HB LEU 133 10.730 -5.670 -7.036 1020 HG LEU 133 HG LEU 133 9.979 -6.806 -9.097 1021 HD11 LEU 133 1HD1 LEU 133 7.941 -8.172 -9.034 1022 HD12 LEU 133 2HD1 LEU 133 9.267 -8.924 -8.150 1023 HD13 LEU 133 3HD1 LEU 133 7.967 -8.117 -7.270 1024 HD21 LEU 133 3HD2 LEU 133 8.975 -4.694 -8.412 1025 HD22 LEU 133 1HD2 LEU 133 7.796 -5.724 -9.225 1026 HD23 LEU 133 2HD2 LEU 133 7.768 -5.568 -7.467 1027 H ARG 134 HN ARG 134 12.504 -6.639 -4.835 1028 HA ARG 134 HA ARG 134 14.585 -5.377 -6.352 1029 HB2 ARG 134 2HB ARG 134 14.053 -5.640 -3.394 1030 HB3 ARG 134 3HB ARG 134 15.481 -4.834 -4.025 1031 HG2 ARG 134 2HG ARG 134 14.030 -3.246 -5.217 1032 HG3 ARG 134 3HG ARG 134 12.618 -4.038 -4.510 1033 HD2 ARG 134 2HD ARG 134 13.354 -1.986 -3.296 1034 HD3 ARG 134 3HD ARG 134 13.300 -3.435 -2.299 1035 HE ARG 134 HE ARG 134 15.869 -3.401 -3.108 1036 HH11 ARG 134 2HH1 ARG 134 13.899 -0.784 -1.800 1037 HH12 ARG 134 1HH1 ARG 134 15.217 -0.123 -0.873 1038 HH21 ARG 134 2HH2 ARG 134 17.568 -2.490 -1.934 1039 HH22 ARG 134 1HH2 ARG 134 17.303 -1.068 -0.962 1040 H ALA 135 HN ALA 135 14.220 -8.458 -4.844 1041 HA ALA 135 HA ALA 135 17.075 -8.846 -4.504 1042 HB1 ALA 135 1HB ALA 135 14.801 -10.786 -4.098 1043 HB2 ALA 135 2HB ALA 135 16.483 -11.045 -3.636 1044 HB3 ALA 135 3HB ALA 135 15.535 -9.786 -2.844 1045 H ALA 136 HN ALA 136 14.478 -9.859 -6.624 1046 HA ALA 136 HA ALA 136 16.310 -11.502 -8.198 1047 HB1 ALA 136 1HB ALA 136 14.084 -12.408 -7.730 1048 HB2 ALA 136 2HB ALA 136 13.349 -11.030 -8.551 1049 HB3 ALA 136 3HB ALA 136 14.332 -12.177 -9.460 1050 H ARG 137 HN ARG 137 14.217 -8.680 -8.536 1051 HA ARG 137 HA ARG 137 14.079 -6.995 -10.024 1052 HB2 ARG 137 2HB ARG 137 17.004 -7.648 -10.285 1053 HB3 ARG 137 3HB ARG 137 16.258 -6.308 -11.145 1054 HG2 ARG 137 2HG ARG 137 15.717 -5.197 -9.130 1055 HG3 ARG 137 3HG ARG 137 16.110 -6.618 -8.162 1056 HD2 ARG 137 2HD ARG 137 18.106 -5.106 -9.837 1057 HD3 ARG 137 3HD ARG 137 17.837 -4.819 -8.118 1058 HE ARG 137 HE ARG 137 18.483 -7.548 -8.892 1059 HH11 ARG 137 2HH1 ARG 137 19.690 -4.468 -7.772 1060 HH12 ARG 137 1HH1 ARG 137 21.060 -5.152 -6.947 1061 HH21 ARG 137 2HH2 ARG 137 20.283 -8.463 -7.833 1062 HH22 ARG 137 1HH2 ARG 137 21.416 -7.424 -7.011 1063 HA PRO 138 HA PRO 138 12.693 -9.677 -13.343 1064 HB2 PRO 138 2HB PRO 138 11.565 -7.039 -14.148 1065 HB3 PRO 138 3HB PRO 138 10.786 -8.626 -14.083 1066 HG2 PRO 138 2HG PRO 138 10.299 -6.872 -12.177 1067 HG3 PRO 138 3HG PRO 138 10.584 -8.574 -11.764 1068 HD2 PRO 138 2HD PRO 138 12.432 -6.232 -11.513 1069 HD3 PRO 138 3HD PRO 138 12.184 -7.597 -10.402 1070 H ALA 139 HN ALA 139 14.315 -10.162 -14.605 1071 HA ALA 139 HA ALA 139 14.825 -8.757 -17.002 1072 HB1 ALA 139 1HB ALA 139 17.168 -8.155 -16.656 1073 HB2 ALA 139 2HB ALA 139 16.135 -7.293 -15.515 1074 HB3 ALA 139 3HB ALA 139 17.071 -8.688 -14.977 1075 H ASP 140 HN ASP 140 14.104 -11.370 -16.061 1076 HA ASP 140 HA ASP 140 16.473 -13.023 -16.210 1077 HB2 ASP 140 2HB ASP 140 14.634 -13.520 -14.607 1078 HB3 ASP 140 3HB ASP 140 13.575 -13.860 -15.974 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -26.468 -8.813 -7.244 2 H2 GLY 1 2H GLY 1 -25.506 -10.012 -6.534 3 H3 GLY 1 3H GLY 1 -27.189 -10.193 -6.577 4 HA2 GLY 1 3HA GLY 1 -27.184 -10.384 -8.952 5 HA3 GLY 1 2HA GLY 1 -25.451 -10.090 -8.978 6 HA PRO 2 HA PRO 2 -26.735 -14.735 -8.362 7 HB2 PRO 2 2HB PRO 2 -26.095 -14.907 -11.256 8 HB3 PRO 2 3HB PRO 2 -27.381 -15.701 -10.341 9 HG2 PRO 2 2HG PRO 2 -27.921 -13.673 -11.986 10 HG3 PRO 2 3HG PRO 2 -28.771 -13.844 -10.439 11 HD2 PRO 2 2HD PRO 2 -26.530 -12.007 -11.183 12 HD3 PRO 2 3HD PRO 2 -27.960 -11.689 -10.178 13 H LEU 3 HN LEU 3 -24.493 -13.906 -11.000 14 HA LEU 3 HA LEU 3 -22.324 -15.181 -9.516 15 HB2 LEU 3 2HB LEU 3 -22.657 -15.798 -11.887 16 HB3 LEU 3 3HB LEU 3 -22.382 -14.129 -12.349 17 HG LEU 3 HG LEU 3 -20.077 -14.282 -11.463 18 HD11 LEU 3 1HD1 LEU 3 -19.149 -16.463 -10.897 19 HD12 LEU 3 2HD1 LEU 3 -20.743 -17.195 -11.076 20 HD13 LEU 3 3HD1 LEU 3 -20.451 -16.021 -9.792 21 HD21 LEU 3 3HD2 LEU 3 -20.788 -16.402 -13.486 22 HD22 LEU 3 1HD2 LEU 3 -19.194 -15.682 -13.253 23 HD23 LEU 3 2HD2 LEU 3 -20.533 -14.691 -13.829 24 H GLY 4 HN GLY 4 -21.114 -13.940 -8.261 25 HA2 GLY 4 2HA GLY 4 -19.643 -12.087 -7.919 26 HA3 GLY 4 3HA GLY 4 -20.588 -11.168 -9.084 27 H SER 5 HN SER 5 -22.102 -13.093 -6.628 28 HA SER 5 HA SER 5 -23.619 -11.004 -5.542 29 HB2 SER 5 2HB SER 5 -23.889 -12.758 -3.626 30 HB3 SER 5 3HB SER 5 -24.507 -13.147 -5.233 31 HG SER 5 HG SER 5 -23.323 -14.887 -4.856 32 H MET 6 HN MET 6 -20.864 -12.762 -4.156 33 HA MET 6 HA MET 6 -20.348 -10.878 -2.107 34 HB2 MET 6 2HB MET 6 -18.145 -12.020 -1.926 35 HB3 MET 6 3HB MET 6 -19.500 -13.137 -1.903 36 HG2 MET 6 2HG MET 6 -19.095 -13.625 -4.287 37 HG3 MET 6 3HG MET 6 -17.693 -12.562 -4.242 38 HE1 MET 6 3HE MET 6 -15.989 -16.041 -4.490 39 HE2 MET 6 1HE MET 6 -16.038 -14.391 -5.113 40 HE3 MET 6 2HE MET 6 -17.430 -15.454 -5.319 41 H LYS 7 HN LYS 7 -19.727 -8.846 -2.421 42 HA LYS 7 HA LYS 7 -18.634 -8.108 -5.002 43 HB2 LYS 7 2HB LYS 7 -19.439 -6.380 -2.662 44 HB3 LYS 7 3HB LYS 7 -19.037 -5.809 -4.280 45 HG2 LYS 7 2HG LYS 7 -20.944 -6.856 -5.216 46 HG3 LYS 7 3HG LYS 7 -21.278 -7.732 -3.723 47 HD2 LYS 7 2HD LYS 7 -21.520 -5.407 -2.659 48 HD3 LYS 7 3HD LYS 7 -21.636 -4.816 -4.321 49 HE2 LYS 7 2HE LYS 7 -23.851 -5.250 -3.355 50 HE3 LYS 7 3HE LYS 7 -23.516 -6.298 -4.737 51 HZ1 LYS 7 3HZ LYS 7 -22.888 -8.058 -3.172 52 HZ2 LYS 7 1HZ LYS 7 -24.494 -7.562 -2.942 53 HZ3 LYS 7 2HZ LYS 7 -23.285 -7.046 -1.872 54 H MET 8 HN MET 8 -16.850 -6.537 -5.117 55 HA MET 8 HA MET 8 -14.751 -7.371 -3.253 56 HB2 MET 8 2HB MET 8 -14.598 -6.430 -6.115 57 HB3 MET 8 3HB MET 8 -13.183 -6.599 -5.087 58 HG2 MET 8 2HG MET 8 -13.728 -8.987 -4.790 59 HG3 MET 8 3HG MET 8 -15.072 -8.790 -5.911 60 HE1 MET 8 3HE MET 8 -12.762 -10.974 -6.278 61 HE2 MET 8 1HE MET 8 -12.471 -10.841 -8.013 62 HE3 MET 8 2HE MET 8 -14.119 -10.783 -7.389 63 H ILE 9 HN ILE 9 -13.453 -5.943 -2.286 64 HA ILE 9 HA ILE 9 -14.132 -3.087 -2.510 65 HB ILE 9 HB ILE 9 -12.668 -4.584 -0.332 66 HG12 ILE 9 2HG1 ILE 9 -15.450 -3.431 -0.477 67 HG13 ILE 9 3HG1 ILE 9 -14.991 -5.108 -0.207 68 HG21 ILE 9 1HG2 ILE 9 -11.921 -2.210 -0.719 69 HG22 ILE 9 2HG2 ILE 9 -12.486 -2.602 0.908 70 HG23 ILE 9 3HG2 ILE 9 -13.539 -1.712 -0.208 71 HD11 ILE 9 3HD1 ILE 9 -15.743 -4.129 1.854 72 HD12 ILE 9 1HD1 ILE 9 -14.583 -2.811 1.688 73 HD13 ILE 9 2HD1 ILE 9 -14.011 -4.457 1.957 74 H GLU 10 HN GLU 10 -12.728 -1.933 -3.683 75 HA GLU 10 HA GLU 10 -10.229 -3.252 -4.443 76 HB2 GLU 10 2HB GLU 10 -10.998 -0.729 -5.788 77 HB3 GLU 10 3HB GLU 10 -10.431 -2.242 -6.480 78 HG2 GLU 10 2HG GLU 10 -12.562 -2.151 -7.301 79 HG3 GLU 10 3HG GLU 10 -12.803 -3.108 -5.841 80 H VAL 11 HN VAL 11 -8.415 -2.622 -3.384 81 HA VAL 11 HA VAL 11 -8.358 0.124 -2.347 82 HB VAL 11 HB VAL 11 -7.387 -2.370 -0.930 83 HG11 VAL 11 1HG1 VAL 11 -7.182 0.524 -0.110 84 HG12 VAL 11 2HG1 VAL 11 -5.845 -0.544 -0.538 85 HG13 VAL 11 3HG1 VAL 11 -6.791 -0.854 0.917 86 HG21 VAL 11 3HG2 VAL 11 -9.806 -2.063 -0.796 87 HG22 VAL 11 1HG2 VAL 11 -9.569 -0.418 -0.202 88 HG23 VAL 11 2HG2 VAL 11 -9.042 -1.792 0.770 89 H VAL 12 HN VAL 12 -6.643 1.221 -2.971 90 HA VAL 12 HA VAL 12 -4.414 -0.264 -4.153 91 HB VAL 12 HB VAL 12 -3.664 2.066 -4.910 92 HG11 VAL 12 1HG1 VAL 12 -4.648 0.405 -6.416 93 HG12 VAL 12 2HG1 VAL 12 -5.149 2.039 -6.847 94 HG13 VAL 12 3HG1 VAL 12 -6.262 0.973 -5.990 95 HG21 VAL 12 3HG2 VAL 12 -6.521 2.728 -4.200 96 HG22 VAL 12 1HG2 VAL 12 -5.394 3.774 -5.062 97 HG23 VAL 12 2HG2 VAL 12 -5.090 3.347 -3.377 98 H ALA 13 HN ALA 13 -2.448 -0.298 -3.248 99 HA ALA 13 HA ALA 13 -2.149 1.130 -0.694 100 HB1 ALA 13 1HB ALA 13 -0.969 -1.526 -1.538 101 HB2 ALA 13 2HB ALA 13 -2.289 -1.297 -0.391 102 HB3 ALA 13 3HB ALA 13 -0.672 -0.711 -0.004 103 H ALA 14 HN ALA 14 -0.407 2.403 -0.478 104 HA ALA 14 HA ALA 14 1.249 2.678 -2.880 105 HB1 ALA 14 1HB ALA 14 -0.035 4.654 -2.152 106 HB2 ALA 14 2HB ALA 14 1.706 4.925 -2.146 107 HB3 ALA 14 3HB ALA 14 0.853 4.638 -0.630 108 H ILE 15 HN ILE 15 3.225 1.895 -2.818 109 HA ILE 15 HA ILE 15 4.546 1.594 -0.228 110 HB ILE 15 HB ILE 15 5.358 0.607 -2.976 111 HG12 ILE 15 2HG1 ILE 15 4.097 -0.687 -0.579 112 HG13 ILE 15 3HG1 ILE 15 3.650 -0.822 -2.277 113 HG21 ILE 15 1HG2 ILE 15 7.300 1.207 -1.613 114 HG22 ILE 15 2HG2 ILE 15 7.193 -0.539 -1.856 115 HG23 ILE 15 3HG2 ILE 15 6.699 0.171 -0.319 116 HD11 ILE 15 3HD1 ILE 15 4.617 -2.888 -1.428 117 HD12 ILE 15 1HD1 ILE 15 6.099 -2.019 -0.991 118 HD13 ILE 15 2HD1 ILE 15 5.625 -2.185 -2.695 119 H ILE 16 HN ILE 16 5.295 3.578 0.332 120 HA ILE 16 HA ILE 16 6.501 5.244 -1.730 121 HB ILE 16 HB ILE 16 6.080 5.882 1.198 122 HG12 ILE 16 2HG1 ILE 16 4.339 6.516 -1.190 123 HG13 ILE 16 3HG1 ILE 16 3.944 5.387 0.099 124 HG21 ILE 16 1HG2 ILE 16 6.241 8.236 0.383 125 HG22 ILE 16 2HG2 ILE 16 6.708 7.605 -1.199 126 HG23 ILE 16 3HG2 ILE 16 7.735 7.312 0.206 127 HD11 ILE 16 3HD1 ILE 16 2.791 7.529 0.325 128 HD12 ILE 16 1HD1 ILE 16 4.350 8.343 0.448 129 HD13 ILE 16 2HD1 ILE 16 3.855 7.192 1.690 130 H GLU 17 HN GLU 17 8.494 4.626 -2.170 131 HA GLU 17 HA GLU 17 10.232 3.850 0.058 132 HB2 GLU 17 2HB GLU 17 9.603 1.878 -1.232 133 HB3 GLU 17 3HB GLU 17 10.112 2.657 -2.721 134 HG2 GLU 17 2HG GLU 17 12.064 2.207 -0.498 135 HG3 GLU 17 3HG GLU 17 11.640 0.901 -1.600 136 H ARG 18 HN ARG 18 11.952 4.994 0.271 137 HA ARG 18 HA ARG 18 13.320 6.164 -2.001 138 HB2 ARG 18 2HB ARG 18 11.565 7.832 -1.063 139 HB3 ARG 18 3HB ARG 18 12.624 7.943 0.335 140 HG2 ARG 18 2HG ARG 18 13.122 9.756 -1.119 141 HG3 ARG 18 3HG ARG 18 14.466 8.614 -1.193 142 HD2 ARG 18 2HD ARG 18 13.499 7.676 -3.270 143 HD3 ARG 18 3HD ARG 18 12.233 8.900 -3.204 144 HE ARG 18 HE ARG 18 14.854 10.043 -3.127 145 HH11 ARG 18 1HH1 ARG 18 12.439 8.707 -5.286 146 HH12 ARG 18 2HH1 ARG 18 12.974 9.618 -6.658 147 HH21 ARG 18 1HH2 ARG 18 15.573 11.243 -4.943 148 HH22 ARG 18 2HH2 ARG 18 14.742 11.070 -6.466 149 H ASP 19 HN ASP 19 15.529 6.471 -1.528 150 HA ASP 19 HA ASP 19 17.515 6.219 -0.411 151 HB2 ASP 19 2HB ASP 19 16.489 7.101 1.693 152 HB3 ASP 19 3HB ASP 19 15.917 5.485 2.052 153 H GLY 20 HN GLY 20 15.083 3.879 -0.680 154 HA2 GLY 20 2HA GLY 20 15.555 1.551 -1.019 155 HA3 GLY 20 3HA GLY 20 16.938 1.723 0.063 156 H LYS 21 HN LYS 21 14.439 3.566 1.180 157 HA LYS 21 HA LYS 21 13.608 1.475 3.083 158 HB2 LYS 21 2HB LYS 21 13.500 4.432 3.634 159 HB3 LYS 21 3HB LYS 21 13.437 3.111 4.781 160 HG2 LYS 21 2HG LYS 21 15.914 2.931 3.413 161 HG3 LYS 21 3HG LYS 21 15.682 4.606 3.905 162 HD2 LYS 21 2HD LYS 21 15.558 4.083 6.149 163 HD3 LYS 21 3HD LYS 21 15.139 2.395 5.844 164 HE2 LYS 21 2HE LYS 21 17.401 2.534 6.682 165 HE3 LYS 21 3HE LYS 21 17.423 2.015 5.000 166 HZ1 LYS 21 3HZ LYS 21 19.127 3.669 5.475 167 HZ2 LYS 21 1HZ LYS 21 17.940 4.788 5.933 168 HZ3 LYS 21 2HZ LYS 21 18.018 4.246 4.329 169 H ILE 22 HN ILE 22 11.428 1.354 3.635 170 HA ILE 22 HA ILE 22 9.616 2.709 1.752 171 HB ILE 22 HB ILE 22 9.028 0.219 3.366 172 HG12 ILE 22 2HG1 ILE 22 9.967 0.392 0.496 173 HG13 ILE 22 3HG1 ILE 22 10.962 -0.134 1.850 174 HG21 ILE 22 1HG2 ILE 22 7.680 1.540 1.019 175 HG22 ILE 22 2HG2 ILE 22 7.012 1.234 2.623 176 HG23 ILE 22 3HG2 ILE 22 7.326 -0.117 1.522 177 HD11 ILE 22 3HD1 ILE 22 9.427 -2.004 2.227 178 HD12 ILE 22 1HD1 ILE 22 10.146 -2.032 0.616 179 HD13 ILE 22 2HD1 ILE 22 8.480 -1.489 0.828 180 H LEU 23 HN LEU 23 7.730 3.667 2.526 181 HA LEU 23 HA LEU 23 7.904 4.593 5.267 182 HB2 LEU 23 2HB LEU 23 7.530 6.186 3.443 183 HB3 LEU 23 3HB LEU 23 6.030 5.375 3.036 184 HG LEU 23 HG LEU 23 5.103 6.007 5.236 185 HD11 LEU 23 1HD1 LEU 23 7.183 6.121 6.496 186 HD12 LEU 23 2HD1 LEU 23 6.291 7.638 6.618 187 HD13 LEU 23 3HD1 LEU 23 7.691 7.522 5.552 188 HD21 LEU 23 3HD2 LEU 23 4.886 8.410 4.767 189 HD22 LEU 23 1HD2 LEU 23 4.687 7.426 3.317 190 HD23 LEU 23 2HD2 LEU 23 6.200 8.288 3.597 191 H LEU 24 HN LEU 24 6.834 3.755 6.850 192 HA LEU 24 HA LEU 24 4.407 2.159 6.304 193 HB2 LEU 24 2HB LEU 24 6.414 1.958 8.547 194 HB3 LEU 24 3HB LEU 24 4.861 1.152 8.580 195 HG LEU 24 HG LEU 24 5.566 -0.047 6.462 196 HD11 LEU 24 1HD1 LEU 24 7.338 1.451 5.761 197 HD12 LEU 24 2HD1 LEU 24 7.951 -0.187 5.995 198 HD13 LEU 24 3HD1 LEU 24 8.262 1.054 7.209 199 HD21 LEU 24 3HD2 LEU 24 5.586 -1.120 8.654 200 HD22 LEU 24 1HD2 LEU 24 7.213 -0.505 8.942 201 HD23 LEU 24 2HD2 LEU 24 6.929 -1.677 7.655 202 H ALA 25 HN ALA 25 2.519 2.655 7.376 203 HA ALA 25 HA ALA 25 2.685 4.910 9.268 204 HB1 ALA 25 1HB ALA 25 0.575 5.749 8.464 205 HB2 ALA 25 2HB ALA 25 0.406 4.374 7.369 206 HB3 ALA 25 3HB ALA 25 1.681 5.562 7.100 207 H GLN 26 HN GLN 26 2.217 4.334 11.207 208 HA GLN 26 HA GLN 26 1.144 1.804 11.901 209 HB2 GLN 26 2HB GLN 26 2.805 2.954 13.270 210 HB3 GLN 26 3HB GLN 26 1.673 4.263 13.575 211 HG2 GLN 26 2HG GLN 26 0.181 2.557 14.673 212 HG3 GLN 26 3HG GLN 26 1.535 1.433 14.563 213 HE21 GLN 26 1HE2 GLN 26 3.389 1.816 15.803 214 HE22 GLN 26 2HE2 GLN 26 3.384 2.903 17.150 215 H ARG 27 HN ARG 27 -0.892 1.386 11.459 216 HA ARG 27 HA ARG 27 -2.941 1.800 13.103 217 HB2 ARG 27 2HB ARG 27 -2.703 4.298 12.366 218 HB3 ARG 27 3HB ARG 27 -3.493 3.769 10.887 219 HG2 ARG 27 2HG ARG 27 -4.696 3.231 13.581 220 HG3 ARG 27 3HG ARG 27 -4.940 4.765 12.751 221 HD2 ARG 27 2HD ARG 27 -5.446 2.326 11.165 222 HD3 ARG 27 3HD ARG 27 -6.568 2.637 12.488 223 HE ARG 27 HE ARG 27 -6.808 4.926 11.414 224 HH11 ARG 27 1HH1 ARG 27 -6.033 2.048 9.563 225 HH12 ARG 27 2HH1 ARG 27 -6.805 2.616 8.115 226 HH21 ARG 27 1HH2 ARG 27 -7.883 5.645 9.544 227 HH22 ARG 27 2HH2 ARG 27 -7.916 4.648 8.116 228 HA PRO 28 HA PRO 28 -3.758 -1.068 9.719 229 HB2 PRO 28 2HB PRO 28 -4.846 -3.021 11.148 230 HB3 PRO 28 3HB PRO 28 -3.125 -2.651 11.327 231 HG2 PRO 28 2HG PRO 28 -5.431 -1.778 13.035 232 HG3 PRO 28 3HG PRO 28 -3.891 -2.498 13.531 233 HD2 PRO 28 2HD PRO 28 -4.365 0.193 13.553 234 HD3 PRO 28 3HD PRO 28 -2.746 -0.501 13.318 235 H ALA 29 HN ALA 29 -6.108 -2.686 10.020 236 HA ALA 29 HA ALA 29 -8.269 -0.733 10.047 237 HB1 ALA 29 1HB ALA 29 -7.345 -0.684 7.788 238 HB2 ALA 29 2HB ALA 29 -9.001 -1.292 7.812 239 HB3 ALA 29 3HB ALA 29 -7.652 -2.415 7.640 240 H GLN 30 HN GLN 30 -7.389 -4.106 9.531 241 HA GLN 30 HA GLN 30 -10.044 -4.938 10.404 242 HB2 GLN 30 2HB GLN 30 -9.089 -7.249 9.854 243 HB3 GLN 30 3HB GLN 30 -9.338 -6.142 8.509 244 HG2 GLN 30 2HG GLN 30 -7.035 -5.642 8.376 245 HG3 GLN 30 3HG GLN 30 -6.699 -6.449 9.903 246 HE21 GLN 30 1HE2 GLN 30 -6.786 -8.740 9.969 247 HE22 GLN 30 2HE2 GLN 30 -6.608 -9.673 8.519 248 H SER 31 HN SER 31 -7.388 -3.977 11.898 249 HA SER 31 HA SER 31 -7.629 -5.950 14.071 250 HB2 SER 31 2HB SER 31 -5.182 -4.297 13.406 251 HB3 SER 31 3HB SER 31 -5.300 -5.572 14.619 252 HG SER 31 HG SER 31 -5.452 -7.085 13.036 253 H ASP 32 HN ASP 32 -6.857 -2.574 13.323 254 HA ASP 32 HA ASP 32 -7.389 -0.612 14.307 255 HB2 ASP 32 2HB ASP 32 -9.293 -2.316 15.909 256 HB3 ASP 32 3HB ASP 32 -9.221 -0.560 16.021 257 H GLN 33 HN GLN 33 -5.738 -2.979 15.795 258 HA GLN 33 HA GLN 33 -5.457 -1.729 18.387 259 HB2 GLN 33 2HB GLN 33 -3.738 -3.949 17.282 260 HB3 GLN 33 3HB GLN 33 -4.067 -3.564 18.968 261 HG2 GLN 33 2HG GLN 33 -6.466 -4.158 18.520 262 HG3 GLN 33 3HG GLN 33 -5.938 -4.767 16.955 263 HE21 GLN 33 1HE2 GLN 33 -3.370 -5.698 18.120 264 HE22 GLN 33 2HE2 GLN 33 -3.765 -7.149 18.974 265 H ALA 34 HN ALA 34 -3.659 -0.633 19.124 266 HA ALA 34 HA ALA 34 -2.180 0.742 17.071 267 HB1 ALA 34 1HB ALA 34 -1.257 2.060 18.905 268 HB2 ALA 34 2HB ALA 34 -1.994 0.963 20.072 269 HB3 ALA 34 3HB ALA 34 -3.013 1.950 19.025 270 H GLY 35 HN GLY 35 0.012 0.712 16.733 271 HA2 GLY 35 2HA GLY 35 2.230 0.057 17.522 272 HA3 GLY 35 3HA GLY 35 1.511 -1.433 18.091 273 H LEU 36 HN LEU 36 -0.111 -1.776 15.661 274 HA LEU 36 HA LEU 36 1.939 -2.944 14.042 275 HB2 LEU 36 2HB LEU 36 -1.047 -2.944 13.668 276 HB3 LEU 36 3HB LEU 36 0.104 -3.981 12.843 277 HG LEU 36 HG LEU 36 0.693 -4.578 15.409 278 HD11 LEU 36 1HD1 LEU 36 -1.037 -3.165 16.343 279 HD12 LEU 36 2HD1 LEU 36 -1.403 -4.863 16.640 280 HD13 LEU 36 3HD1 LEU 36 -2.259 -3.984 15.373 281 HD21 LEU 36 3HD2 LEU 36 -0.657 -6.579 15.089 282 HD22 LEU 36 1HD2 LEU 36 0.264 -6.159 13.648 283 HD23 LEU 36 2HD2 LEU 36 -1.462 -5.812 13.721 284 H TRP 37 HN TRP 37 2.062 -2.705 11.751 285 HA TRP 37 HA TRP 37 1.480 0.062 10.907 286 HB2 TRP 37 2HB TRP 37 3.879 -1.620 10.143 287 HB3 TRP 37 3HB TRP 37 3.587 0.055 9.691 288 HD1 TRP 37 1HD TRP 37 4.437 -2.077 12.791 289 HE1 TRP 37 1HE TRP 37 5.616 -0.572 14.509 290 HE3 TRP 37 3HE TRP 37 3.987 2.417 10.385 291 HZ2 TRP 37 2HZ TRP 37 6.280 2.152 14.805 292 HZ3 TRP 37 3HZ TRP 37 4.928 4.425 11.458 293 HH2 TRP 37 2HH TRP 37 6.050 4.292 13.622 294 H GLU 38 HN GLU 38 1.077 0.379 8.699 295 HA GLU 38 HA GLU 38 1.111 -1.808 6.858 296 HB2 GLU 38 2HB GLU 38 -1.263 -1.550 6.143 297 HB3 GLU 38 3HB GLU 38 -1.088 -2.261 7.739 298 HG2 GLU 38 2HG GLU 38 -1.744 -0.221 8.788 299 HG3 GLU 38 3HG GLU 38 -1.702 0.641 7.252 300 H PHE 39 HN PHE 39 0.548 -1.009 4.633 301 HA PHE 39 HA PHE 39 1.856 1.562 4.357 302 HB2 PHE 39 2HB PHE 39 0.931 -0.453 2.297 303 HB3 PHE 39 3HB PHE 39 1.759 1.043 1.900 304 HD1 PHE 39 2HD PHE 39 3.037 -0.167 4.933 305 HD2 PHE 39 1HD PHE 39 3.154 -0.803 0.735 306 HE1 PHE 39 2HE PHE 39 5.185 -1.318 5.171 307 HE2 PHE 39 1HE PHE 39 5.289 -1.951 0.967 308 HZ PHE 39 HZ PHE 39 6.328 -2.221 3.185 309 H ALA 40 HN ALA 40 1.007 3.371 3.297 310 HA ALA 40 HA ALA 40 -1.736 3.830 3.969 311 HB1 ALA 40 1HB ALA 40 -0.018 5.549 4.291 312 HB2 ALA 40 2HB ALA 40 -1.333 6.118 3.263 313 HB3 ALA 40 3HB ALA 40 0.206 5.642 2.546 314 H GLY 41 HN GLY 41 -3.240 4.923 2.409 315 HA2 GLY 41 2HA GLY 41 -3.228 4.926 -0.281 316 HA3 GLY 41 3HA GLY 41 -3.494 3.226 0.086 317 H GLY 42 HN GLY 42 -5.563 2.920 -0.431 318 HA2 GLY 42 2HA GLY 42 -7.653 3.536 1.216 319 HA3 GLY 42 3HA GLY 42 -7.588 4.899 0.106 320 H LYS 43 HN LYS 43 -9.867 3.602 0.048 321 HA LYS 43 HA LYS 43 -9.842 1.429 -1.840 322 HB2 LYS 43 2HB LYS 43 -11.625 1.951 0.006 323 HB3 LYS 43 3HB LYS 43 -12.307 3.023 -1.211 324 HG2 LYS 43 2HG LYS 43 -12.336 1.053 -2.778 325 HG3 LYS 43 3HG LYS 43 -11.929 0.046 -1.390 326 HD2 LYS 43 2HD LYS 43 -14.212 -0.146 -1.412 327 HD3 LYS 43 3HD LYS 43 -14.009 1.223 -0.316 328 HE2 LYS 43 2HE LYS 43 -15.773 1.660 -1.931 329 HE3 LYS 43 3HE LYS 43 -14.421 2.765 -2.167 330 HZ1 LYS 43 3HZ LYS 43 -13.798 1.720 -4.118 331 HZ2 LYS 43 1HZ LYS 43 -15.483 1.642 -4.211 332 HZ3 LYS 43 2HZ LYS 43 -14.594 0.273 -3.752 333 H VAL 44 HN VAL 44 -10.718 1.491 -3.939 334 HA VAL 44 HA VAL 44 -10.157 4.013 -5.305 335 HB VAL 44 HB VAL 44 -10.732 1.264 -6.443 336 HG11 VAL 44 1HG1 VAL 44 -11.283 3.051 -8.001 337 HG12 VAL 44 2HG1 VAL 44 -9.852 2.171 -8.539 338 HG13 VAL 44 3HG1 VAL 44 -9.681 3.756 -7.782 339 HG21 VAL 44 3HG2 VAL 44 -8.666 1.287 -5.157 340 HG22 VAL 44 1HG2 VAL 44 -8.101 2.688 -6.067 341 HG23 VAL 44 2HG2 VAL 44 -8.330 1.142 -6.882 342 H GLU 45 HN GLU 45 -11.788 5.320 -5.910 343 HA GLU 45 HA GLU 45 -14.484 4.181 -6.025 344 HB2 GLU 45 2HB GLU 45 -13.548 7.063 -6.067 345 HB3 GLU 45 3HB GLU 45 -15.233 6.551 -6.121 346 HG2 GLU 45 2HG GLU 45 -14.943 5.448 -3.940 347 HG3 GLU 45 3HG GLU 45 -13.288 6.044 -3.877 348 HA PRO 46 HA PRO 46 -14.127 3.461 -10.235 349 HB2 PRO 46 2HB PRO 46 -16.741 3.641 -11.037 350 HB3 PRO 46 3HB PRO 46 -16.051 2.272 -10.159 351 HG2 PRO 46 2HG PRO 46 -17.658 4.570 -9.131 352 HG3 PRO 46 3HG PRO 46 -17.735 2.857 -8.683 353 HD2 PRO 46 2HD PRO 46 -16.492 4.695 -7.150 354 HD3 PRO 46 3HD PRO 46 -15.926 3.016 -7.266 355 H ASP 47 HN ASP 47 -14.423 6.541 -9.351 356 HA ASP 47 HA ASP 47 -14.854 7.510 -12.085 357 HB2 ASP 47 2HB ASP 47 -16.106 8.753 -10.414 358 HB3 ASP 47 3HB ASP 47 -14.637 9.041 -9.488 359 H GLU 48 HN GLU 48 -12.456 6.791 -9.825 360 HA GLU 48 HA GLU 48 -10.474 8.465 -11.219 361 HB2 GLU 48 2HB GLU 48 -9.162 8.401 -9.183 362 HB3 GLU 48 3HB GLU 48 -10.798 8.922 -8.799 363 HG2 GLU 48 2HG GLU 48 -11.255 6.486 -8.202 364 HG3 GLU 48 3HG GLU 48 -9.505 6.274 -8.244 365 H SER 49 HN SER 49 -8.465 7.554 -11.776 366 HA SER 49 HA SER 49 -8.501 4.720 -12.283 367 HB2 SER 49 2HB SER 49 -7.541 6.377 -13.900 368 HB3 SER 49 3HB SER 49 -6.243 6.684 -12.748 369 HG SER 49 HG SER 49 -6.813 4.061 -13.632 370 H GLN 50 HN GLN 50 -6.642 3.334 -11.662 371 HA GLN 50 HA GLN 50 -6.410 3.130 -8.907 372 HB2 GLN 50 2HB GLN 50 -4.551 2.026 -11.020 373 HB3 GLN 50 3HB GLN 50 -4.599 1.502 -9.341 374 HG2 GLN 50 2HG GLN 50 -6.903 0.757 -9.631 375 HG3 GLN 50 3HG GLN 50 -6.861 1.281 -11.311 376 HE21 GLN 50 1HE2 GLN 50 -5.585 0.128 -12.799 377 HE22 GLN 50 2HE2 GLN 50 -5.058 -1.486 -12.467 378 H ARG 51 HN ARG 51 -4.164 4.636 -11.206 379 HA ARG 51 HA ARG 51 -2.148 5.226 -9.293 380 HB2 ARG 51 2HB ARG 51 -2.739 6.774 -11.821 381 HB3 ARG 51 3HB ARG 51 -1.235 6.766 -10.918 382 HG2 ARG 51 2HG ARG 51 -0.921 4.397 -11.497 383 HG3 ARG 51 3HG ARG 51 -2.395 4.466 -12.471 384 HD2 ARG 51 2HD ARG 51 -1.396 6.259 -13.825 385 HD3 ARG 51 3HD ARG 51 0.078 6.152 -12.867 386 HE ARG 51 HE ARG 51 -0.742 3.691 -14.152 387 HH11 ARG 51 1HH1 ARG 51 1.159 6.623 -14.395 388 HH12 ARG 51 2HH1 ARG 51 2.231 5.986 -15.604 389 HH21 ARG 51 1HH2 ARG 51 0.680 2.834 -15.734 390 HH22 ARG 51 2HH2 ARG 51 1.968 3.827 -16.360 391 H GLN 52 HN GLN 52 -5.003 6.907 -10.436 392 HA GLN 52 HA GLN 52 -4.366 9.434 -9.306 393 HB2 GLN 52 2HB GLN 52 -5.922 9.230 -11.175 394 HB3 GLN 52 3HB GLN 52 -7.004 8.254 -10.194 395 HG2 GLN 52 2HG GLN 52 -7.831 10.510 -10.400 396 HG3 GLN 52 3HG GLN 52 -7.405 10.155 -8.729 397 HE21 GLN 52 1HE2 GLN 52 -7.217 12.351 -8.242 398 HE22 GLN 52 2HE2 GLN 52 -5.872 13.295 -8.783 399 H ALA 53 HN ALA 53 -6.261 6.652 -8.290 400 HA ALA 53 HA ALA 53 -7.384 7.718 -5.964 401 HB1 ALA 53 1HB ALA 53 -6.527 4.870 -6.489 402 HB2 ALA 53 2HB ALA 53 -8.082 5.580 -6.922 403 HB3 ALA 53 3HB ALA 53 -7.638 5.398 -5.225 404 H LEU 54 HN LEU 54 -4.290 6.004 -6.447 405 HA LEU 54 HA LEU 54 -3.411 6.090 -3.786 406 HB2 LEU 54 2HB LEU 54 -1.943 6.046 -6.412 407 HB3 LEU 54 3HB LEU 54 -1.104 6.027 -4.874 408 HG LEU 54 HG LEU 54 -3.127 3.943 -5.684 409 HD11 LEU 54 1HD1 LEU 54 -0.121 3.888 -5.876 410 HD12 LEU 54 2HD1 LEU 54 -1.262 3.848 -7.221 411 HD13 LEU 54 3HD1 LEU 54 -1.180 2.496 -6.093 412 HD21 LEU 54 3HD2 LEU 54 -2.769 4.238 -3.272 413 HD22 LEU 54 1HD2 LEU 54 -1.041 3.994 -3.513 414 HD23 LEU 54 2HD2 LEU 54 -2.169 2.681 -3.848 415 H VAL 55 HN VAL 55 -2.950 8.308 -6.474 416 HA VAL 55 HA VAL 55 -1.200 10.092 -5.198 417 HB VAL 55 HB VAL 55 -3.133 10.566 -7.474 418 HG11 VAL 55 1HG1 VAL 55 -1.829 12.569 -7.978 419 HG12 VAL 55 2HG1 VAL 55 -0.853 12.307 -6.533 420 HG13 VAL 55 3HG1 VAL 55 -2.570 12.684 -6.381 421 HG21 VAL 55 3HG2 VAL 55 -1.434 8.904 -7.948 422 HG22 VAL 55 1HG2 VAL 55 -0.169 10.016 -7.419 423 HG23 VAL 55 2HG2 VAL 55 -1.119 10.380 -8.860 424 H ARG 56 HN ARG 56 -4.753 10.165 -5.493 425 HA ARG 56 HA ARG 56 -4.865 12.654 -4.080 426 HB2 ARG 56 2HB ARG 56 -7.266 12.503 -4.291 427 HB3 ARG 56 3HB ARG 56 -6.500 12.109 -5.819 428 HG2 ARG 56 2HG ARG 56 -8.001 10.452 -5.819 429 HG3 ARG 56 3HG ARG 56 -6.790 9.642 -4.823 430 HD2 ARG 56 2HD ARG 56 -7.938 10.246 -2.818 431 HD3 ARG 56 3HD ARG 56 -9.045 11.295 -3.705 432 HE ARG 56 HE ARG 56 -9.395 8.835 -4.840 433 HH11 ARG 56 1HH1 ARG 56 -9.606 10.131 -1.589 434 HH12 ARG 56 2HH1 ARG 56 -10.763 8.946 -1.056 435 HH21 ARG 56 1HH2 ARG 56 -10.927 7.307 -4.179 436 HH22 ARG 56 2HH2 ARG 56 -11.533 7.346 -2.546 437 H GLU 57 HN GLU 57 -5.529 9.262 -3.217 438 HA GLU 57 HA GLU 57 -6.412 9.776 -0.611 439 HB2 GLU 57 2HB GLU 57 -5.105 7.387 -1.869 440 HB3 GLU 57 3HB GLU 57 -5.447 7.413 -0.146 441 HG2 GLU 57 2HG GLU 57 -7.530 7.889 -2.265 442 HG3 GLU 57 3HG GLU 57 -7.182 6.308 -1.567 443 H LEU 58 HN LEU 58 -3.098 9.339 -1.831 444 HA LEU 58 HA LEU 58 -1.925 9.592 0.767 445 HB2 LEU 58 2HB LEU 58 -0.605 10.259 -1.851 446 HB3 LEU 58 3HB LEU 58 0.188 9.900 -0.337 447 HG LEU 58 HG LEU 58 -1.327 7.971 -2.082 448 HD11 LEU 58 1HD1 LEU 58 1.567 8.066 -1.254 449 HD12 LEU 58 2HD1 LEU 58 0.935 8.531 -2.833 450 HD13 LEU 58 3HD1 LEU 58 0.815 6.857 -2.296 451 HD21 LEU 58 3HD2 LEU 58 -0.065 7.486 0.610 452 HD22 LEU 58 1HD2 LEU 58 -0.751 6.257 -0.456 453 HD23 LEU 58 2HD2 LEU 58 -1.794 7.487 0.257 454 H ARG 59 HN ARG 59 -2.890 11.857 -1.733 455 HA ARG 59 HA ARG 59 -1.797 14.158 -0.558 456 HB2 ARG 59 2HB ARG 59 -2.656 14.178 -2.828 457 HB3 ARG 59 3HB ARG 59 -4.277 13.824 -2.248 458 HG2 ARG 59 2HG ARG 59 -4.442 15.956 -1.198 459 HG3 ARG 59 3HG ARG 59 -2.749 16.312 -1.535 460 HD2 ARG 59 2HD ARG 59 -3.266 16.181 -3.964 461 HD3 ARG 59 3HD ARG 59 -4.968 15.974 -3.552 462 HE ARG 59 HE ARG 59 -4.895 18.212 -2.565 463 HH11 ARG 59 1HH1 ARG 59 -2.322 17.325 -4.772 464 HH12 ARG 59 2HH1 ARG 59 -1.918 18.970 -5.162 465 HH21 ARG 59 1HH2 ARG 59 -4.376 20.362 -3.077 466 HH22 ARG 59 2HH2 ARG 59 -3.079 20.694 -4.198 467 H GLU 60 HN GLU 60 -4.812 12.419 0.023 468 HA GLU 60 HA GLU 60 -5.775 14.410 1.845 469 HB2 GLU 60 2HB GLU 60 -6.795 11.598 1.402 470 HB3 GLU 60 3HB GLU 60 -7.651 12.903 2.213 471 HG2 GLU 60 2HG GLU 60 -7.530 14.172 0.042 472 HG3 GLU 60 3HG GLU 60 -6.955 12.682 -0.697 473 H GLU 61 HN GLU 61 -4.263 11.222 2.143 474 HA GLU 61 HA GLU 61 -4.427 11.317 5.029 475 HB2 GLU 61 2HB GLU 61 -3.471 9.351 3.034 476 HB3 GLU 61 3HB GLU 61 -2.673 9.328 4.597 477 HG2 GLU 61 2HG GLU 61 -5.333 9.407 5.255 478 HG3 GLU 61 3HG GLU 61 -5.265 8.340 3.846 479 H LEU 62 HN LEU 62 -1.815 11.483 2.606 480 HA LEU 62 HA LEU 62 0.049 11.959 4.823 481 HB2 LEU 62 2HB LEU 62 0.750 11.177 2.004 482 HB3 LEU 62 3HB LEU 62 1.775 11.103 3.425 483 HG LEU 62 HG LEU 62 -0.626 9.352 2.876 484 HD11 LEU 62 1HD1 LEU 62 1.276 8.823 1.471 485 HD12 LEU 62 2HD1 LEU 62 1.031 7.570 2.688 486 HD13 LEU 62 3HD1 LEU 62 2.323 8.753 2.889 487 HD21 LEU 62 3HD2 LEU 62 0.060 8.113 4.863 488 HD22 LEU 62 1HD2 LEU 62 -0.356 9.777 5.269 489 HD23 LEU 62 2HD2 LEU 62 1.337 9.291 5.168 490 H GLY 63 HN GLY 63 -1.692 13.914 3.069 491 HA2 GLY 63 2HA GLY 63 -1.449 15.848 1.860 492 HA3 GLY 63 3HA GLY 63 -0.248 16.170 3.096 493 H ILE 64 HN ILE 64 0.138 13.682 0.576 494 HA ILE 64 HA ILE 64 2.200 15.432 -0.593 495 HB ILE 64 HB ILE 64 3.573 13.458 -1.143 496 HG12 ILE 64 2HG1 ILE 64 1.732 11.943 0.718 497 HG13 ILE 64 3HG1 ILE 64 1.755 11.761 -1.035 498 HG21 ILE 64 1HG2 ILE 64 3.017 13.872 1.781 499 HG22 ILE 64 2HG2 ILE 64 4.154 14.774 0.778 500 HG23 ILE 64 3HG2 ILE 64 4.447 13.068 1.128 501 HD11 ILE 64 3HD1 ILE 64 4.011 11.130 0.861 502 HD12 ILE 64 1HD1 ILE 64 4.096 11.006 -0.896 503 HD13 ILE 64 2HD1 ILE 64 2.993 9.969 0.009 504 H GLU 65 HN GLU 65 2.424 15.499 -2.733 505 HA GLU 65 HA GLU 65 0.329 14.306 -4.362 506 HB2 GLU 65 2HB GLU 65 2.594 16.160 -5.147 507 HB3 GLU 65 3HB GLU 65 1.206 15.737 -6.141 508 HG2 GLU 65 2HG GLU 65 -0.281 16.894 -4.660 509 HG3 GLU 65 3HG GLU 65 1.020 17.177 -3.507 510 H ALA 66 HN ALA 66 0.771 12.184 -4.653 511 HA ALA 66 HA ALA 66 3.487 11.267 -4.948 512 HB1 ALA 66 1HB ALA 66 1.895 9.984 -3.622 513 HB2 ALA 66 2HB ALA 66 2.520 9.033 -4.970 514 HB3 ALA 66 3HB ALA 66 0.900 9.727 -5.055 515 H THR 67 HN THR 67 4.364 10.215 -6.688 516 HA THR 67 HA THR 67 2.924 10.459 -9.246 517 HB THR 67 HB THR 67 5.923 10.296 -8.827 518 HG1 THR 67 1HG THR 67 5.884 12.407 -8.579 519 HG21 THR 67 3HG2 THR 67 6.034 11.006 -11.176 520 HG22 THR 67 1HG2 THR 67 4.273 10.988 -11.266 521 HG23 THR 67 2HG2 THR 67 5.158 9.484 -11.012 522 H VAL 68 HN VAL 68 2.142 8.534 -9.875 523 HA VAL 68 HA VAL 68 3.372 6.090 -8.823 524 HB VAL 68 HB VAL 68 0.734 6.410 -10.255 525 HG11 VAL 68 1HG1 VAL 68 1.841 4.106 -8.657 526 HG12 VAL 68 2HG1 VAL 68 1.657 4.159 -10.411 527 HG13 VAL 68 3HG1 VAL 68 0.231 4.192 -9.372 528 HG21 VAL 68 3HG2 VAL 68 -0.313 6.239 -8.060 529 HG22 VAL 68 1HG2 VAL 68 0.761 7.636 -8.130 530 HG23 VAL 68 2HG2 VAL 68 1.274 6.170 -7.295 531 H GLY 69 HN GLY 69 4.510 4.706 -10.115 532 HA2 GLY 69 2HA GLY 69 3.963 4.340 -12.862 533 HA3 GLY 69 3HA GLY 69 5.299 5.458 -12.685 534 H GLU 70 HN GLU 70 4.248 2.246 -11.457 535 HA GLU 70 HA GLU 70 6.048 0.620 -12.451 536 HB2 GLU 70 2HB GLU 70 7.874 0.308 -10.800 537 HB3 GLU 70 3HB GLU 70 7.973 1.819 -11.679 538 HG2 GLU 70 2HG GLU 70 7.079 3.002 -9.742 539 HG3 GLU 70 3HG GLU 70 6.989 1.475 -8.860 540 H TYR 71 HN TYR 71 4.921 -1.096 -12.156 541 HA TYR 71 HA TYR 71 3.148 -1.421 -9.904 542 HB2 TYR 71 2HB TYR 71 2.832 -2.019 -12.435 543 HB3 TYR 71 3HB TYR 71 3.655 -3.509 -12.003 544 HD1 TYR 71 1HD TYR 71 1.970 -2.801 -9.108 545 HD2 TYR 71 2HD TYR 71 1.172 -3.917 -13.136 546 HE1 TYR 71 1HE TYR 71 -0.191 -3.749 -8.413 547 HE2 TYR 71 2HE TYR 71 -0.989 -4.866 -12.454 548 HH TYR 71 HH TYR 71 -2.064 -5.749 -10.451 549 H VAL 72 HN VAL 72 3.552 -2.542 -8.081 550 HA VAL 72 HA VAL 72 5.973 -4.173 -7.943 551 HB VAL 72 HB VAL 72 4.077 -3.297 -5.758 552 HG11 VAL 72 1HG1 VAL 72 6.738 -4.701 -5.538 553 HG12 VAL 72 2HG1 VAL 72 5.160 -5.419 -5.208 554 HG13 VAL 72 3HG1 VAL 72 5.762 -4.107 -4.192 555 HG21 VAL 72 3HG2 VAL 72 5.896 -1.799 -5.091 556 HG22 VAL 72 1HG2 VAL 72 5.326 -1.447 -6.722 557 HG23 VAL 72 2HG2 VAL 72 6.837 -2.326 -6.486 558 H ALA 73 HN ALA 73 2.734 -4.574 -6.487 559 HA ALA 73 HA ALA 73 2.256 -7.100 -7.748 560 HB1 ALA 73 1HB ALA 73 3.026 -7.162 -4.829 561 HB2 ALA 73 2HB ALA 73 3.991 -7.800 -6.161 562 HB3 ALA 73 3HB ALA 73 2.429 -8.523 -5.778 563 H SER 74 HN SER 74 0.442 -8.289 -6.288 564 HA SER 74 HA SER 74 -1.262 -6.365 -4.933 565 HB2 SER 74 2HB SER 74 -2.137 -7.914 -7.383 566 HB3 SER 74 3HB SER 74 -3.241 -7.072 -6.294 567 HG SER 74 HG SER 74 -1.083 -5.623 -7.288 568 H HIS 75 HN HIS 75 -2.845 -7.344 -3.592 569 HA HIS 75 HA HIS 75 -2.725 -10.255 -3.341 570 HB2 HIS 75 2HB HIS 75 -1.050 -9.306 -1.746 571 HB3 HIS 75 3HB HIS 75 -2.353 -8.418 -0.966 572 HD1 HIS 75 1HD HIS 75 -1.623 -12.069 -1.835 573 HD2 HIS 75 2HD HIS 75 -3.385 -9.759 1.148 574 HE1 HIS 75 1HE HIS 75 -2.326 -13.684 -0.048 575 HE2 HIS 75 2HE HIS 75 -3.226 -12.256 1.819 576 H GLN 76 HN GLN 76 -4.585 -11.159 -2.492 577 HA GLN 76 HA GLN 76 -6.805 -9.284 -2.046 578 HB2 GLN 76 2HB GLN 76 -6.717 -11.990 -3.328 579 HB3 GLN 76 3HB GLN 76 -8.216 -11.391 -2.621 580 HG2 GLN 76 2HG GLN 76 -8.170 -9.466 -4.065 581 HG3 GLN 76 3HG GLN 76 -6.610 -9.956 -4.723 582 HE21 GLN 76 1HE2 GLN 76 -9.131 -12.263 -4.027 583 HE22 GLN 76 2HE2 GLN 76 -9.506 -12.638 -5.670 584 H ARG 77 HN ARG 77 -8.113 -9.494 -0.347 585 HA ARG 77 HA ARG 77 -7.836 -11.756 1.468 586 HB2 ARG 77 2HB ARG 77 -7.393 -10.457 3.417 587 HB3 ARG 77 3HB ARG 77 -6.221 -9.927 2.224 588 HG2 ARG 77 2HG ARG 77 -7.711 -7.979 1.734 589 HG3 ARG 77 3HG ARG 77 -8.717 -8.484 3.093 590 HD2 ARG 77 2HD ARG 77 -6.626 -8.364 4.517 591 HD3 ARG 77 3HD ARG 77 -5.848 -7.587 3.145 592 HE ARG 77 HE ARG 77 -8.295 -6.322 4.011 593 HH11 ARG 77 1HH1 ARG 77 -4.816 -6.435 4.364 594 HH12 ARG 77 2HH1 ARG 77 -4.683 -4.825 5.008 595 HH21 ARG 77 1HH2 ARG 77 -8.134 -4.198 4.916 596 HH22 ARG 77 2HH2 ARG 77 -6.562 -3.571 5.318 597 H GLU 78 HN GLU 78 -9.742 -11.729 3.046 598 HA GLU 78 HA GLU 78 -11.929 -10.296 1.693 599 HB2 GLU 78 2HB GLU 78 -13.395 -12.026 2.075 600 HB3 GLU 78 3HB GLU 78 -11.895 -12.908 1.849 601 HG2 GLU 78 2HG GLU 78 -11.646 -13.091 4.277 602 HG3 GLU 78 3HG GLU 78 -13.175 -12.229 4.484 603 H VAL 79 HN VAL 79 -13.344 -9.068 2.827 604 HA VAL 79 HA VAL 79 -12.741 -8.738 5.684 605 HB VAL 79 HB VAL 79 -12.256 -6.664 4.686 606 HG11 VAL 79 1HG1 VAL 79 -14.883 -6.806 3.216 607 HG12 VAL 79 2HG1 VAL 79 -13.281 -7.029 2.508 608 HG13 VAL 79 3HG1 VAL 79 -13.740 -5.461 3.169 609 HG21 VAL 79 3HG2 VAL 79 -13.561 -6.440 6.715 610 HG22 VAL 79 1HG2 VAL 79 -15.056 -6.484 5.781 611 HG23 VAL 79 2HG2 VAL 79 -13.940 -5.132 5.595 612 H SER 80 HN SER 80 -14.074 -10.276 6.426 613 HA SER 80 HA SER 80 -15.981 -11.457 6.845 614 HB2 SER 80 2HB SER 80 -16.890 -8.625 7.376 615 HB3 SER 80 3HB SER 80 -17.625 -10.081 8.046 616 HG SER 80 HG SER 80 -14.907 -9.330 8.422 617 H GLY 81 HN GLY 81 -16.141 -11.908 4.407 618 HA2 GLY 81 2HA GLY 81 -18.009 -12.625 3.139 619 HA3 GLY 81 3HA GLY 81 -18.880 -11.186 3.636 620 H ARG 82 HN ARG 82 -16.326 -9.591 2.915 621 HA ARG 82 HA ARG 82 -16.916 -9.529 0.020 622 HB2 ARG 82 2HB ARG 82 -15.776 -7.285 1.692 623 HB3 ARG 82 3HB ARG 82 -16.332 -7.189 0.026 624 HG2 ARG 82 2HG ARG 82 -18.607 -7.656 0.765 625 HG3 ARG 82 3HG ARG 82 -18.049 -7.732 2.436 626 HD2 ARG 82 2HD ARG 82 -17.075 -5.354 1.857 627 HD3 ARG 82 3HD ARG 82 -18.344 -5.384 0.632 628 HE ARG 82 HE ARG 82 -19.271 -6.118 3.252 629 HH11 ARG 82 1HH1 ARG 82 -18.640 -3.437 1.070 630 HH12 ARG 82 2HH1 ARG 82 -19.662 -2.329 1.938 631 HH21 ARG 82 1HH2 ARG 82 -20.601 -4.665 4.392 632 HH22 ARG 82 2HH2 ARG 82 -20.790 -3.034 3.824 633 H ILE 83 HN ILE 83 -15.160 -9.164 -1.447 634 HA ILE 83 HA ILE 83 -12.601 -10.125 -0.357 635 HB ILE 83 HB ILE 83 -13.668 -10.148 -3.186 636 HG12 ILE 83 2HG1 ILE 83 -13.208 -12.635 -2.921 637 HG13 ILE 83 3HG1 ILE 83 -12.965 -12.324 -1.208 638 HG21 ILE 83 1HG2 ILE 83 -10.924 -10.943 -2.227 639 HG22 ILE 83 2HG2 ILE 83 -11.315 -9.575 -3.267 640 HG23 ILE 83 3HG2 ILE 83 -11.562 -11.222 -3.848 641 HD11 ILE 83 3HD1 ILE 83 -15.187 -13.170 -1.623 642 HD12 ILE 83 1HD1 ILE 83 -15.504 -11.858 -2.759 643 HD13 ILE 83 2HD1 ILE 83 -15.270 -11.505 -1.046 644 H ILE 84 HN ILE 84 -11.195 -8.546 0.109 645 HA ILE 84 HA ILE 84 -11.293 -6.035 -1.348 646 HB ILE 84 HB ILE 84 -8.985 -6.308 0.389 647 HG12 ILE 84 2HG1 ILE 84 -11.699 -6.976 1.492 648 HG13 ILE 84 3HG1 ILE 84 -10.142 -7.722 1.853 649 HG21 ILE 84 1HG2 ILE 84 -10.051 -4.225 -0.507 650 HG22 ILE 84 2HG2 ILE 84 -9.717 -4.226 1.226 651 HG23 ILE 84 3HG2 ILE 84 -11.363 -4.502 0.649 652 HD11 ILE 84 3HD1 ILE 84 -9.466 -5.636 3.005 653 HD12 ILE 84 1HD1 ILE 84 -10.855 -6.432 3.743 654 HD13 ILE 84 2HD1 ILE 84 -11.097 -5.001 2.729 655 H HIS 85 HN HIS 85 -9.898 -5.369 -2.840 656 HA HIS 85 HA HIS 85 -7.870 -7.306 -3.755 657 HB2 HIS 85 2HB HIS 85 -9.950 -6.704 -5.204 658 HB3 HIS 85 3HB HIS 85 -9.125 -5.176 -5.472 659 HD1 HIS 85 1HD HIS 85 -9.370 -6.237 -8.007 660 HD2 HIS 85 2HD HIS 85 -6.496 -7.868 -5.482 661 HE1 HIS 85 1HE HIS 85 -7.783 -7.497 -9.504 662 HE2 HIS 85 2HE HIS 85 -6.192 -8.644 -7.931 663 H LEU 86 HN LEU 86 -6.028 -6.525 -2.773 664 HA LEU 86 HA LEU 86 -5.555 -3.653 -2.720 665 HB2 LEU 86 2HB LEU 86 -4.236 -6.009 -1.419 666 HB3 LEU 86 3HB LEU 86 -3.421 -4.460 -1.475 667 HG LEU 86 HG LEU 86 -5.541 -3.519 -0.357 668 HD11 LEU 86 1HD1 LEU 86 -5.915 -6.447 0.237 669 HD12 LEU 86 2HD1 LEU 86 -6.991 -5.429 -0.720 670 HD13 LEU 86 3HD1 LEU 86 -6.788 -5.120 1.005 671 HD21 LEU 86 3HD2 LEU 86 -3.737 -5.410 1.142 672 HD22 LEU 86 1HD2 LEU 86 -4.717 -4.132 1.861 673 HD23 LEU 86 2HD2 LEU 86 -3.397 -3.720 0.765 674 H HIS 87 HN HIS 87 -4.407 -2.645 -4.188 675 HA HIS 87 HA HIS 87 -2.480 -4.176 -5.815 676 HB2 HIS 87 2HB HIS 87 -3.926 -1.581 -6.385 677 HB3 HIS 87 3HB HIS 87 -2.621 -2.204 -7.383 678 HD1 HIS 87 1HD HIS 87 -3.131 -4.325 -8.819 679 HD2 HIS 87 2HD HIS 87 -6.406 -2.762 -6.782 680 HE1 HIS 87 1HE HIS 87 -5.150 -5.353 -9.893 681 HE2 HIS 87 2HE HIS 87 -7.112 -4.184 -8.833 682 H ALA 88 HN ALA 88 -0.414 -3.897 -5.233 683 HA ALA 88 HA ALA 88 0.310 -1.507 -3.705 684 HB1 ALA 88 1HB ALA 88 2.354 -2.712 -3.109 685 HB2 ALA 88 2HB ALA 88 1.871 -4.055 -4.146 686 HB3 ALA 88 3HB ALA 88 0.917 -3.653 -2.717 687 H TRP 89 HN TRP 89 1.075 0.143 -4.774 688 HA TRP 89 HA TRP 89 2.859 -0.341 -7.067 689 HB2 TRP 89 2HB TRP 89 0.685 1.614 -6.640 690 HB3 TRP 89 3HB TRP 89 2.155 2.272 -7.344 691 HD1 TRP 89 1HD TRP 89 2.978 1.054 -9.700 692 HE1 TRP 89 1HE TRP 89 1.533 0.131 -11.617 693 HE3 TRP 89 3HE TRP 89 -1.460 0.548 -7.211 694 HZ2 TRP 89 2HZ TRP 89 -1.130 -0.690 -12.024 695 HZ3 TRP 89 3HZ TRP 89 -3.406 -0.308 -8.445 696 HH2 TRP 89 2HH TRP 89 -3.240 -0.911 -10.802 697 H HIS 90 HN HIS 90 4.760 0.832 -7.176 698 HA HIS 90 HA HIS 90 5.568 2.143 -4.677 699 HB2 HIS 90 2HB HIS 90 7.174 0.489 -5.429 700 HB3 HIS 90 3HB HIS 90 7.216 1.196 -7.038 701 HD1 HIS 90 1HD HIS 90 9.627 1.873 -7.154 702 HD2 HIS 90 2HD HIS 90 7.748 3.287 -3.718 703 HE1 HIS 90 1HE HIS 90 11.275 3.431 -6.069 704 HE2 HIS 90 2HE HIS 90 10.100 4.339 -4.040 705 H VAL 91 HN VAL 91 5.590 4.283 -4.555 706 HA VAL 91 HA VAL 91 5.328 5.832 -7.001 707 HB VAL 91 HB VAL 91 5.106 7.799 -5.428 708 HG11 VAL 91 1HG1 VAL 91 2.821 7.241 -4.774 709 HG12 VAL 91 2HG1 VAL 91 3.150 5.530 -5.055 710 HG13 VAL 91 3HG1 VAL 91 3.169 6.665 -6.406 711 HG21 VAL 91 3HG2 VAL 91 6.265 6.830 -3.499 712 HG22 VAL 91 1HG2 VAL 91 4.988 5.623 -3.336 713 HG23 VAL 91 2HG2 VAL 91 4.627 7.332 -3.076 714 HA PRO 92 HA PRO 92 9.829 6.125 -6.950 715 HB2 PRO 92 2HB PRO 92 9.921 7.487 -9.337 716 HB3 PRO 92 3HB PRO 92 9.861 5.727 -9.201 717 HG2 PRO 92 2HG PRO 92 7.647 7.668 -9.739 718 HG3 PRO 92 3HG PRO 92 7.953 6.084 -10.484 719 HD2 PRO 92 2HD PRO 92 6.093 6.412 -8.579 720 HD3 PRO 92 3HD PRO 92 7.068 4.931 -8.683 721 H ASP 93 HN ASP 93 7.408 8.586 -7.160 722 HA ASP 93 HA ASP 93 9.240 10.518 -5.975 723 HB2 ASP 93 2HB ASP 93 9.458 11.073 -8.297 724 HB3 ASP 93 3HB ASP 93 7.722 10.959 -8.536 725 H PHE 94 HN PHE 94 8.268 11.956 -4.660 726 HA PHE 94 HA PHE 94 5.375 12.259 -4.660 727 HB2 PHE 94 2HB PHE 94 5.238 11.902 -2.201 728 HB3 PHE 94 3HB PHE 94 5.673 10.440 -3.075 729 HD1 PHE 94 1HD PHE 94 8.060 9.670 -3.047 730 HD2 PHE 94 2HD PHE 94 6.634 12.802 -0.540 731 HE1 PHE 94 1HE PHE 94 10.016 9.383 -1.583 732 HE2 PHE 94 2HE PHE 94 8.595 12.524 0.921 733 HZ PHE 94 HZ PHE 94 10.285 10.813 0.402 734 H HIS 95 HN HIS 95 4.768 14.308 -4.205 735 HA HIS 95 HA HIS 95 6.932 16.155 -3.430 736 HB2 HIS 95 2HB HIS 95 5.944 16.303 -5.756 737 HB3 HIS 95 3HB HIS 95 4.439 16.810 -5.002 738 HD1 HIS 95 1HD HIS 95 7.941 17.972 -5.680 739 HD2 HIS 95 2HD HIS 95 4.371 19.457 -4.153 740 HE1 HIS 95 1HE HIS 95 8.249 20.464 -5.543 741 HE2 HIS 95 2HE HIS 95 5.995 21.351 -4.836 742 H GLY 96 HN GLY 96 6.734 16.998 -1.449 743 HA2 GLY 96 2HA GLY 96 5.131 18.558 -0.210 744 HA3 GLY 96 3HA GLY 96 4.023 17.194 -0.282 745 H THR 97 HN THR 97 4.072 17.517 2.110 746 HA THR 97 HA THR 97 6.397 16.158 3.307 747 HB THR 97 HB THR 97 4.451 18.028 4.681 748 HG1 THR 97 1HG THR 97 6.970 18.453 3.449 749 HG21 THR 97 3HG2 THR 97 5.517 16.402 6.175 750 HG22 THR 97 1HG2 THR 97 6.111 18.033 6.484 751 HG23 THR 97 2HG2 THR 97 7.102 16.891 5.579 752 H LEU 98 HN LEU 98 5.947 14.133 3.819 753 HA LEU 98 HA LEU 98 3.286 13.153 3.770 754 HB2 LEU 98 2HB LEU 98 4.472 11.016 4.652 755 HB3 LEU 98 3HB LEU 98 4.730 11.567 3.009 756 HG LEU 98 HG LEU 98 6.772 12.821 4.265 757 HD11 LEU 98 1HD1 LEU 98 7.833 11.215 5.774 758 HD12 LEU 98 2HD1 LEU 98 6.394 10.199 5.700 759 HD13 LEU 98 3HD1 LEU 98 6.302 11.807 6.422 760 HD21 LEU 98 3HD2 LEU 98 6.845 11.480 2.220 761 HD22 LEU 98 1HD2 LEU 98 6.802 10.008 3.194 762 HD23 LEU 98 2HD2 LEU 98 8.183 11.100 3.310 763 H GLN 99 HN GLN 99 1.859 13.092 5.275 764 HA GLN 99 HA GLN 99 2.675 13.153 8.088 765 HB2 GLN 99 2HB GLN 99 1.075 14.885 8.578 766 HB3 GLN 99 3HB GLN 99 2.081 15.447 7.246 767 HG2 GLN 99 2HG GLN 99 0.335 14.927 5.662 768 HG3 GLN 99 3HG GLN 99 -0.671 14.262 6.947 769 HE21 GLN 99 1HE2 GLN 99 0.602 17.161 5.508 770 HE22 GLN 99 2HE2 GLN 99 -0.438 18.266 6.346 771 H ALA 100 HN ALA 100 0.739 12.572 9.513 772 HA ALA 100 HA ALA 100 -0.766 10.443 8.160 773 HB1 ALA 100 1HB ALA 100 0.616 9.821 10.118 774 HB2 ALA 100 2HB ALA 100 -1.087 9.425 10.308 775 HB3 ALA 100 3HB ALA 100 -0.413 10.836 11.126 776 H HIS 101 HN HIS 101 -2.956 10.395 8.044 777 HA HIS 101 HA HIS 101 -4.442 12.493 9.473 778 HB2 HIS 101 2HB HIS 101 -4.289 12.980 7.043 779 HB3 HIS 101 3HB HIS 101 -4.960 11.394 6.697 780 HD1 HIS 101 1HD HIS 101 -5.921 14.854 7.273 781 HD2 HIS 101 2HD HIS 101 -7.733 11.116 7.569 782 HE1 HIS 101 1HE HIS 101 -8.398 15.297 7.315 783 HE2 HIS 101 2HE HIS 101 -9.471 13.010 7.283 784 H GLU 102 HN GLU 102 -4.858 9.481 7.635 785 HA GLU 102 HA GLU 102 -7.020 8.610 9.356 786 HB2 GLU 102 2HB GLU 102 -5.682 7.512 6.884 787 HB3 GLU 102 3HB GLU 102 -6.827 6.538 7.812 788 HG2 GLU 102 2HG GLU 102 -7.463 9.237 6.648 789 HG3 GLU 102 3HG GLU 102 -7.787 7.710 5.831 790 H HIS 103 HN HIS 103 -3.707 7.683 8.543 791 HA HIS 103 HA HIS 103 -3.631 5.727 10.690 792 HB2 HIS 103 2HB HIS 103 -1.490 6.678 8.769 793 HB3 HIS 103 3HB HIS 103 -1.244 5.429 9.984 794 HD1 HIS 103 1HD HIS 103 -1.057 3.315 8.662 795 HD2 HIS 103 2HD HIS 103 -4.247 5.666 7.405 796 HE1 HIS 103 1HE HIS 103 -2.267 1.953 6.939 797 HE2 HIS 103 2HE HIS 103 -4.319 3.293 6.385 798 H GLN 104 HN GLN 104 -1.278 5.985 11.963 799 HA GLN 104 HA GLN 104 -1.673 8.561 13.331 800 HB2 GLN 104 2HB GLN 104 -2.428 6.678 14.649 801 HB3 GLN 104 3HB GLN 104 -0.872 5.884 14.467 802 HG2 GLN 104 2HG GLN 104 0.198 7.431 15.872 803 HG3 GLN 104 3HG GLN 104 -1.158 8.557 15.792 804 HE21 GLN 104 1HE2 GLN 104 -0.011 5.538 17.140 805 HE22 GLN 104 2HE2 GLN 104 -1.218 5.421 18.382 806 H ALA 105 HN ALA 105 0.936 6.098 13.327 807 HA ALA 105 HA ALA 105 2.859 8.332 13.277 808 HB1 ALA 105 1HB ALA 105 4.439 6.809 14.344 809 HB2 ALA 105 2HB ALA 105 3.251 5.507 14.268 810 HB3 ALA 105 3HB ALA 105 2.948 6.918 15.281 811 H LEU 106 HN LEU 106 4.948 7.893 12.095 812 HA LEU 106 HA LEU 106 4.667 5.881 9.987 813 HB2 LEU 106 2HB LEU 106 5.253 8.797 9.513 814 HB3 LEU 106 3HB LEU 106 5.627 7.548 8.342 815 HG LEU 106 HG LEU 106 3.050 6.980 8.667 816 HD11 LEU 106 1HD1 LEU 106 2.576 8.606 10.348 817 HD12 LEU 106 2HD1 LEU 106 1.781 9.096 8.849 818 HD13 LEU 106 3HD1 LEU 106 3.265 9.898 9.362 819 HD21 LEU 106 3HD2 LEU 106 4.081 7.505 6.552 820 HD22 LEU 106 1HD2 LEU 106 4.120 9.220 6.968 821 HD23 LEU 106 2HD2 LEU 106 2.574 8.406 6.732 822 H VAL 107 HN VAL 107 6.490 4.876 9.444 823 HA VAL 107 HA VAL 107 9.040 5.936 10.459 824 HB VAL 107 HB VAL 107 8.139 4.171 11.991 825 HG11 VAL 107 1HG1 VAL 107 7.019 2.762 10.361 826 HG12 VAL 107 2HG1 VAL 107 8.209 1.833 11.274 827 HG13 VAL 107 3HG1 VAL 107 8.571 2.351 9.627 828 HG21 VAL 107 3HG2 VAL 107 10.225 2.887 12.140 829 HG22 VAL 107 1HG2 VAL 107 10.519 4.611 11.912 830 HG23 VAL 107 2HG2 VAL 107 10.702 3.497 10.556 831 H TRP 108 HN TRP 108 10.844 5.501 9.223 832 HA TRP 108 HA TRP 108 10.349 4.252 6.610 833 HB2 TRP 108 2HB TRP 108 12.500 6.146 7.571 834 HB3 TRP 108 3HB TRP 108 12.588 5.307 6.027 835 HD1 TRP 108 1HD TRP 108 10.626 8.075 7.818 836 HE1 TRP 108 1HE TRP 108 9.421 9.492 6.037 837 HE3 TRP 108 3HE TRP 108 11.641 5.232 3.693 838 HZ2 TRP 108 2HZ TRP 108 8.961 9.410 3.247 839 HZ3 TRP 108 3HZ TRP 108 10.783 5.967 1.510 840 HH2 TRP 108 2HH TRP 108 9.470 8.013 1.293 841 H CYS 109 HN CYS 109 10.942 2.213 6.439 842 HA CYS 109 HA CYS 109 13.539 1.428 7.537 843 HB2 CYS 109 2HB CYS 109 12.627 -0.731 8.337 844 HB3 CYS 109 3HB CYS 109 11.955 0.641 9.208 845 HG CYS 109 HG CYS 109 10.026 -0.085 6.649 846 H SER 110 HN SER 110 14.406 -0.508 6.494 847 HA SER 110 HA SER 110 13.988 -0.354 3.661 848 HB2 SER 110 2HB SER 110 15.709 -2.256 5.276 849 HB3 SER 110 3HB SER 110 15.831 -1.961 3.541 850 HG SER 110 HG SER 110 17.096 -0.371 4.019 851 HA PRO 111 HA PRO 111 11.083 -3.496 2.692 852 HB2 PRO 111 2HB PRO 111 12.733 -5.330 1.297 853 HB3 PRO 111 3HB PRO 111 11.719 -4.060 0.609 854 HG2 PRO 111 2HG PRO 111 14.630 -4.066 1.177 855 HG3 PRO 111 3HG PRO 111 13.724 -3.196 -0.075 856 HD2 PRO 111 2HD PRO 111 14.721 -1.940 2.076 857 HD3 PRO 111 3HD PRO 111 13.165 -1.465 1.363 858 H GLU 112 HN GLU 112 14.209 -5.065 3.516 859 HA GLU 112 HA GLU 112 12.937 -7.447 4.437 860 HB2 GLU 112 2HB GLU 112 15.167 -8.025 5.360 861 HB3 GLU 112 3HB GLU 112 15.224 -7.549 3.671 862 HG2 GLU 112 2HG GLU 112 15.747 -5.494 5.759 863 HG3 GLU 112 3HG GLU 112 16.997 -6.682 5.397 864 H GLU 113 HN GLU 113 14.025 -4.502 6.002 865 HA GLU 113 HA GLU 113 13.638 -5.355 8.670 866 HB2 GLU 113 2HB GLU 113 13.633 -2.593 7.446 867 HB3 GLU 113 3HB GLU 113 13.595 -2.902 9.176 868 HG2 GLU 113 2HG GLU 113 15.785 -3.821 7.330 869 HG3 GLU 113 3HG GLU 113 15.840 -2.347 8.297 870 H ALA 114 HN ALA 114 11.558 -3.820 6.289 871 HA ALA 114 HA ALA 114 9.402 -3.080 7.876 872 HB1 ALA 114 1HB ALA 114 8.071 -3.158 5.836 873 HB2 ALA 114 2HB ALA 114 9.322 -4.114 5.041 874 HB3 ALA 114 3HB ALA 114 9.655 -2.448 5.519 875 H LEU 115 HN LEU 115 10.143 -6.206 6.428 876 HA LEU 115 HA LEU 115 7.622 -7.357 7.094 877 HB2 LEU 115 2HB LEU 115 10.179 -8.388 5.976 878 HB3 LEU 115 3HB LEU 115 9.014 -9.535 6.600 879 HG LEU 115 HG LEU 115 8.572 -7.556 4.367 880 HD11 LEU 115 1HD1 LEU 115 8.319 -9.540 2.990 881 HD12 LEU 115 2HD1 LEU 115 8.643 -10.565 4.389 882 HD13 LEU 115 3HD1 LEU 115 9.905 -9.505 3.761 883 HD21 LEU 115 3HD2 LEU 115 6.646 -9.502 5.629 884 HD22 LEU 115 1HD2 LEU 115 6.355 -8.599 4.141 885 HD23 LEU 115 2HD2 LEU 115 6.544 -7.741 5.671 886 H GLN 116 HN GLN 116 10.436 -6.755 8.936 887 HA GLN 116 HA GLN 116 9.976 -8.854 10.846 888 HB2 GLN 116 2HB GLN 116 11.651 -6.347 11.034 889 HB3 GLN 116 3HB GLN 116 11.737 -7.734 12.114 890 HG2 GLN 116 2HG GLN 116 12.702 -9.095 10.476 891 HG3 GLN 116 3HG GLN 116 12.249 -7.996 9.172 892 HE21 GLN 116 1HE2 GLN 116 14.291 -7.766 8.396 893 HE22 GLN 116 2HE2 GLN 116 15.524 -6.883 9.228 894 H TYR 117 HN TYR 117 8.550 -5.906 10.137 895 HA TYR 117 HA TYR 117 7.860 -5.250 12.886 896 HB2 TYR 117 2HB TYR 117 7.452 -3.888 10.239 897 HB3 TYR 117 3HB TYR 117 6.523 -3.390 11.649 898 HD1 TYR 117 2HD TYR 117 7.636 -2.314 13.548 899 HD2 TYR 117 1HD TYR 117 9.796 -3.442 10.079 900 HE1 TYR 117 2HE TYR 117 9.505 -0.885 14.263 901 HE2 TYR 117 1HE TYR 117 11.682 -2.019 10.773 902 HH TYR 117 HH TYR 117 12.046 -0.841 13.852 903 HA PRO 118 HA PRO 118 3.850 -7.078 12.744 904 HB2 PRO 118 2HB PRO 118 2.282 -5.251 14.008 905 HB3 PRO 118 3HB PRO 118 3.438 -6.285 14.852 906 HG2 PRO 118 2HG PRO 118 3.670 -3.419 14.079 907 HG3 PRO 118 3HG PRO 118 4.265 -4.246 15.527 908 HD2 PRO 118 2HD PRO 118 5.827 -3.566 13.364 909 HD3 PRO 118 3HD PRO 118 6.217 -4.869 14.497 910 H LEU 119 HN LEU 119 3.871 -6.784 10.385 911 HA LEU 119 HA LEU 119 2.234 -4.625 9.336 912 HB2 LEU 119 2HB LEU 119 3.697 -6.916 8.034 913 HB3 LEU 119 3HB LEU 119 2.668 -5.815 7.139 914 HG LEU 119 HG LEU 119 5.191 -5.068 8.632 915 HD11 LEU 119 1HD1 LEU 119 5.597 -6.320 6.576 916 HD12 LEU 119 2HD1 LEU 119 6.083 -4.634 6.405 917 HD13 LEU 119 3HD1 LEU 119 4.575 -5.194 5.681 918 HD21 LEU 119 3HD2 LEU 119 3.549 -3.269 8.703 919 HD22 LEU 119 1HD2 LEU 119 3.334 -3.384 6.955 920 HD23 LEU 119 2HD2 LEU 119 4.882 -2.864 7.621 921 H ALA 120 HN ALA 120 0.303 -4.977 8.164 922 HA ALA 120 HA ALA 120 -1.443 -6.923 9.242 923 HB1 ALA 120 1HB ALA 120 -2.208 -4.754 8.387 924 HB2 ALA 120 2HB ALA 120 -3.059 -6.096 7.620 925 HB3 ALA 120 3HB ALA 120 -1.778 -5.254 6.751 926 HA PRO 121 HA PRO 121 -0.796 -10.570 6.931 927 HB2 PRO 121 2HB PRO 121 -3.355 -11.272 6.169 928 HB3 PRO 121 3HB PRO 121 -2.649 -11.579 7.759 929 HG2 PRO 121 2HG PRO 121 -4.465 -9.372 6.884 930 HG3 PRO 121 3HG PRO 121 -4.474 -10.302 8.395 931 HD2 PRO 121 2HD PRO 121 -3.470 -7.823 8.301 932 HD3 PRO 121 3HD PRO 121 -2.720 -9.081 9.303 933 H ALA 122 HN ALA 122 -2.307 -7.916 5.346 934 HA ALA 122 HA ALA 122 -2.109 -9.217 2.732 935 HB1 ALA 122 1HB ALA 122 -3.242 -6.530 3.488 936 HB2 ALA 122 2HB ALA 122 -4.151 -8.001 3.151 937 HB3 ALA 122 3HB ALA 122 -3.236 -7.217 1.863 938 H ASP 123 HN ASP 123 -0.508 -6.920 4.745 939 HA ASP 123 HA ASP 123 0.884 -5.562 2.626 940 HB2 ASP 123 2HB ASP 123 1.217 -5.526 5.633 941 HB3 ASP 123 3HB ASP 123 2.171 -4.531 4.535 942 H ILE 124 HN ILE 124 1.361 -8.354 4.570 943 HA ILE 124 HA ILE 124 4.181 -8.513 4.441 944 HB ILE 124 HB ILE 124 2.143 -10.713 4.802 945 HG12 ILE 124 2HG1 ILE 124 3.832 -9.231 6.828 946 HG13 ILE 124 3HG1 ILE 124 2.121 -8.936 6.532 947 HG21 ILE 124 1HG2 ILE 124 5.124 -10.755 5.271 948 HG22 ILE 124 2HG2 ILE 124 4.248 -11.646 4.026 949 HG23 ILE 124 3HG2 ILE 124 3.999 -12.032 5.728 950 HD11 ILE 124 3HD1 ILE 124 1.616 -11.222 7.248 951 HD12 ILE 124 1HD1 ILE 124 2.431 -10.293 8.506 952 HD13 ILE 124 2HD1 ILE 124 3.330 -11.489 7.571 953 HA PRO 125 HA PRO 125 3.477 -11.527 0.620 954 HB2 PRO 125 2HB PRO 125 1.061 -11.029 -0.673 955 HB3 PRO 125 3HB PRO 125 1.404 -12.413 0.373 956 HG2 PRO 125 2HG PRO 125 -0.005 -9.866 0.998 957 HG3 PRO 125 3HG PRO 125 -0.353 -11.512 1.556 958 HD2 PRO 125 2HD PRO 125 0.850 -9.711 3.135 959 HD3 PRO 125 3HD PRO 125 1.277 -11.432 3.194 960 H LEU 126 HN LEU 126 2.129 -8.264 0.738 961 HA LEU 126 HA LEU 126 2.725 -7.619 -1.980 962 HB2 LEU 126 2HB LEU 126 2.221 -5.851 0.419 963 HB3 LEU 126 3HB LEU 126 2.374 -5.266 -1.225 964 HG LEU 126 HG LEU 126 0.223 -7.143 -0.245 965 HD11 LEU 126 1HD1 LEU 126 -0.078 -4.935 0.691 966 HD12 LEU 126 2HD1 LEU 126 -1.270 -5.209 -0.581 967 HD13 LEU 126 3HD1 LEU 126 0.142 -4.202 -0.897 968 HD21 LEU 126 3HD2 LEU 126 0.614 -5.781 -2.903 969 HD22 LEU 126 1HD2 LEU 126 -0.805 -6.714 -2.430 970 HD23 LEU 126 2HD2 LEU 126 0.763 -7.508 -2.583 971 H LEU 127 HN LEU 127 4.350 -7.258 1.113 972 HA LEU 127 HA LEU 127 6.531 -5.742 0.072 973 HB2 LEU 127 2HB LEU 127 5.725 -5.951 2.519 974 HB3 LEU 127 3HB LEU 127 6.657 -7.434 2.552 975 HG LEU 127 HG LEU 127 7.818 -5.396 3.486 976 HD11 LEU 127 1HD1 LEU 127 9.220 -6.613 1.115 977 HD12 LEU 127 2HD1 LEU 127 9.036 -7.416 2.671 978 HD13 LEU 127 3HD1 LEU 127 9.959 -5.918 2.559 979 HD21 LEU 127 3HD2 LEU 127 8.731 -3.805 1.902 980 HD22 LEU 127 1HD2 LEU 127 6.969 -3.813 1.828 981 HD23 LEU 127 2HD2 LEU 127 7.912 -4.632 0.579 982 H GLU 128 HN GLU 128 5.912 -9.156 0.688 983 HA GLU 128 HA GLU 128 8.420 -10.226 0.302 984 HB2 GLU 128 2HB GLU 128 5.679 -11.270 -0.409 985 HB3 GLU 128 3HB GLU 128 7.129 -12.233 -0.646 986 HG2 GLU 128 2HG GLU 128 6.484 -11.047 2.024 987 HG3 GLU 128 3HG GLU 128 5.759 -12.564 1.497 988 H ALA 129 HN ALA 129 6.007 -9.297 -2.126 989 HA ALA 129 HA ALA 129 7.718 -10.153 -4.285 990 HB1 ALA 129 1HB ALA 129 6.014 -9.431 -5.769 991 HB2 ALA 129 2HB ALA 129 5.197 -8.530 -4.485 992 HB3 ALA 129 3HB ALA 129 5.254 -10.296 -4.432 993 H PHE 130 HN PHE 130 7.318 -7.242 -2.456 994 HA PHE 130 HA PHE 130 8.288 -5.490 -4.502 995 HB2 PHE 130 2HB PHE 130 6.991 -4.602 -2.598 996 HB3 PHE 130 3HB PHE 130 8.252 -5.134 -1.490 997 HD1 PHE 130 1HD PHE 130 7.483 -2.790 -4.234 998 HD2 PHE 130 2HD PHE 130 10.190 -3.840 -1.128 999 HE1 PHE 130 1HE PHE 130 8.642 -0.640 -4.526 1000 HE2 PHE 130 2HE PHE 130 11.358 -1.695 -1.416 1001 HZ PHE 130 HZ PHE 130 10.585 -0.089 -3.113 1002 H MET 131 HN MET 131 9.664 -7.128 -1.677 1003 HA MET 131 HA MET 131 12.329 -6.340 -2.294 1004 HB2 MET 131 2HB MET 131 13.039 -7.836 -0.561 1005 HB3 MET 131 3HB MET 131 11.576 -7.032 -0.010 1006 HG2 MET 131 2HG MET 131 10.272 -9.010 -0.501 1007 HG3 MET 131 3HG MET 131 11.705 -9.819 -1.142 1008 HE1 MET 131 3HE MET 131 13.933 -8.800 0.880 1009 HE2 MET 131 1HE MET 131 13.830 -10.491 0.385 1010 HE3 MET 131 2HE MET 131 13.943 -10.077 2.096 1011 H ALA 132 HN ALA 132 10.291 -9.130 -3.180 1012 HA ALA 132 HA ALA 132 12.211 -10.619 -4.522 1013 HB1 ALA 132 1HB ALA 132 9.960 -11.437 -4.118 1014 HB2 ALA 132 2HB ALA 132 10.319 -11.484 -5.842 1015 HB3 ALA 132 3HB ALA 132 9.290 -10.203 -5.189 1016 H LEU 133 HN LEU 133 10.355 -7.793 -5.552 1017 HA LEU 133 HA LEU 133 11.103 -7.926 -8.279 1018 HB2 LEU 133 2HB LEU 133 9.548 -6.196 -6.597 1019 HB3 LEU 133 3HB LEU 133 10.612 -5.233 -7.605 1020 HG LEU 133 HG LEU 133 9.716 -6.394 -9.607 1021 HD11 LEU 133 1HD1 LEU 133 7.770 -7.601 -7.646 1022 HD12 LEU 133 2HD1 LEU 133 9.017 -8.469 -8.540 1023 HD13 LEU 133 3HD1 LEU 133 7.678 -7.714 -9.402 1024 HD21 LEU 133 3HD2 LEU 133 7.581 -5.231 -9.620 1025 HD22 LEU 133 1HD2 LEU 133 8.835 -4.238 -8.877 1026 HD23 LEU 133 2HD2 LEU 133 7.650 -5.063 -7.866 1027 H ARG 134 HN ARG 134 12.479 -6.350 -5.455 1028 HA ARG 134 HA ARG 134 14.500 -5.024 -7.019 1029 HB2 ARG 134 2HB ARG 134 14.170 -5.334 -4.032 1030 HB3 ARG 134 3HB ARG 134 15.442 -4.387 -4.793 1031 HG2 ARG 134 2HG ARG 134 13.740 -2.963 -5.839 1032 HG3 ARG 134 3HG ARG 134 12.482 -3.896 -5.029 1033 HD2 ARG 134 2HD ARG 134 12.952 -1.832 -3.827 1034 HD3 ARG 134 3HD ARG 134 13.380 -3.243 -2.859 1035 HE ARG 134 HE ARG 134 15.729 -2.802 -3.520 1036 HH11 ARG 134 1HH1 ARG 134 13.389 -0.203 -3.737 1037 HH12 ARG 134 2HH1 ARG 134 14.563 1.047 -3.516 1038 HH21 ARG 134 1HH2 ARG 134 17.277 -1.152 -3.231 1039 HH22 ARG 134 2HH2 ARG 134 16.778 0.516 -3.245 1040 H ALA 135 HN ALA 135 14.101 -8.143 -5.724 1041 HA ALA 135 HA ALA 135 16.961 -8.634 -5.450 1042 HB1 ALA 135 1HB ALA 135 14.622 -10.495 -5.041 1043 HB2 ALA 135 2HB ALA 135 15.462 -9.594 -3.777 1044 HB3 ALA 135 3HB ALA 135 16.308 -10.855 -4.675 1045 H ALA 136 HN ALA 136 14.253 -9.491 -7.535 1046 HA ALA 136 HA ALA 136 15.992 -11.109 -9.232 1047 HB1 ALA 136 1HB ALA 136 13.766 -11.972 -8.765 1048 HB2 ALA 136 2HB ALA 136 13.950 -11.630 -10.485 1049 HB3 ALA 136 3HB ALA 136 13.041 -10.522 -9.458 1050 H ARG 137 HN ARG 137 14.250 -8.088 -9.221 1051 HA ARG 137 HA ARG 137 14.299 -6.240 -10.489 1052 HB2 ARG 137 2HB ARG 137 16.648 -6.108 -10.272 1053 HB3 ARG 137 3HB ARG 137 16.907 -7.437 -11.396 1054 HG2 ARG 137 2HG ARG 137 16.243 -6.091 -13.253 1055 HG3 ARG 137 3HG ARG 137 15.712 -4.792 -12.185 1056 HD2 ARG 137 2HD ARG 137 18.547 -5.754 -12.165 1057 HD3 ARG 137 3HD ARG 137 17.994 -4.578 -13.357 1058 HE ARG 137 HE ARG 137 17.178 -3.587 -10.931 1059 HH11 ARG 137 1HH1 ARG 137 20.253 -4.484 -12.360 1060 HH12 ARG 137 2HH1 ARG 137 21.147 -3.280 -11.472 1061 HH21 ARG 137 1HH2 ARG 137 18.334 -2.004 -9.801 1062 HH22 ARG 137 2HH2 ARG 137 20.058 -1.873 -10.001 1063 HA PRO 138 HA PRO 138 12.291 -7.851 -14.198 1064 HB2 PRO 138 2HB PRO 138 10.544 -5.799 -14.390 1065 HB3 PRO 138 3HB PRO 138 10.272 -7.177 -13.317 1066 HG2 PRO 138 2HG PRO 138 11.338 -4.458 -12.678 1067 HG3 PRO 138 3HG PRO 138 10.153 -5.429 -11.784 1068 HD2 PRO 138 2HD PRO 138 12.768 -5.259 -11.063 1069 HD3 PRO 138 3HD PRO 138 11.787 -6.710 -10.774 1070 H ALA 139 HN ALA 139 13.560 -7.533 -15.881 1071 HA ALA 139 HA ALA 139 15.027 -5.095 -16.270 1072 HB1 ALA 139 1HB ALA 139 15.984 -6.215 -18.224 1073 HB2 ALA 139 2HB ALA 139 14.821 -7.528 -18.043 1074 HB3 ALA 139 3HB ALA 139 16.039 -7.252 -16.800 1075 H ASP 140 HN ASP 140 12.148 -6.544 -17.540 1076 HA ASP 140 HA ASP 140 11.659 -4.115 -19.090 1077 HB2 ASP 140 2HB ASP 140 10.676 -5.423 -20.928 1078 HB3 ASP 140 3HB ASP 140 12.379 -5.802 -20.714 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -24.942 -1.762 -10.398 2 H2 GLY 1 2H GLY 1 -23.533 -1.325 -11.231 3 H3 GLY 1 3H GLY 1 -23.465 -2.504 -10.015 4 HA2 GLY 1 3HA GLY 1 -24.851 -2.733 -12.629 5 HA3 GLY 1 2HA GLY 1 -23.376 -3.566 -12.158 6 HA PRO 2 HA PRO 2 -27.313 -5.818 -10.697 7 HB2 PRO 2 2HB PRO 2 -28.237 -7.136 -12.828 8 HB3 PRO 2 3HB PRO 2 -28.645 -5.440 -12.549 9 HG2 PRO 2 2HG PRO 2 -26.639 -6.620 -14.420 10 HG3 PRO 2 3HG PRO 2 -27.745 -5.259 -14.676 11 HD2 PRO 2 2HD PRO 2 -25.068 -5.024 -13.999 12 HD3 PRO 2 3HD PRO 2 -26.294 -3.768 -13.744 13 H LEU 3 HN LEU 3 -24.618 -6.856 -12.670 14 HA LEU 3 HA LEU 3 -24.941 -9.592 -11.633 15 HB2 LEU 3 2HB LEU 3 -25.067 -9.310 -14.119 16 HB3 LEU 3 3HB LEU 3 -23.411 -8.737 -14.094 17 HG LEU 3 HG LEU 3 -24.029 -11.435 -12.946 18 HD11 LEU 3 1HD1 LEU 3 -23.684 -12.427 -15.172 19 HD12 LEU 3 2HD1 LEU 3 -23.727 -10.812 -15.881 20 HD13 LEU 3 3HD1 LEU 3 -25.159 -11.465 -15.086 21 HD21 LEU 3 3HD2 LEU 3 -21.774 -10.523 -12.697 22 HD22 LEU 3 1HD2 LEU 3 -21.664 -10.300 -14.443 23 HD23 LEU 3 2HD2 LEU 3 -21.771 -11.925 -13.765 24 H GLY 4 HN GLY 4 -23.474 -10.334 -10.286 25 HA2 GLY 4 2HA GLY 4 -20.716 -9.729 -10.394 26 HA3 GLY 4 3HA GLY 4 -21.488 -8.743 -9.158 27 H SER 5 HN SER 5 -23.321 -10.359 -8.095 28 HA SER 5 HA SER 5 -23.753 -12.048 -6.668 29 HB2 SER 5 2HB SER 5 -21.437 -13.459 -8.008 30 HB3 SER 5 3HB SER 5 -22.593 -14.208 -6.903 31 HG SER 5 HG SER 5 -24.216 -13.318 -8.498 32 H MET 6 HN MET 6 -20.186 -11.884 -6.924 33 HA MET 6 HA MET 6 -20.081 -11.596 -4.013 34 HB2 MET 6 2HB MET 6 -17.808 -11.862 -5.997 35 HB3 MET 6 3HB MET 6 -17.644 -11.804 -4.245 36 HG2 MET 6 2HG MET 6 -17.442 -14.064 -4.814 37 HG3 MET 6 3HG MET 6 -19.079 -13.890 -4.185 38 HE1 MET 6 3HE MET 6 -17.712 -12.848 -7.762 39 HE2 MET 6 1HE MET 6 -18.021 -14.337 -8.657 40 HE3 MET 6 2HE MET 6 -16.843 -14.323 -7.344 41 H LYS 7 HN LYS 7 -18.948 -9.824 -3.069 42 HA LYS 7 HA LYS 7 -19.152 -7.415 -4.731 43 HB2 LYS 7 2HB LYS 7 -19.062 -7.585 -1.714 44 HB3 LYS 7 3HB LYS 7 -19.463 -6.176 -2.689 45 HG2 LYS 7 2HG LYS 7 -21.495 -7.202 -3.445 46 HG3 LYS 7 3HG LYS 7 -21.079 -8.712 -2.632 47 HD2 LYS 7 2HD LYS 7 -21.113 -7.488 -0.473 48 HD3 LYS 7 3HD LYS 7 -21.681 -6.058 -1.340 49 HE2 LYS 7 2HE LYS 7 -23.671 -7.257 -2.056 50 HE3 LYS 7 3HE LYS 7 -23.094 -8.725 -1.266 51 HZ1 LYS 7 3HZ LYS 7 -23.145 -7.467 0.856 52 HZ2 LYS 7 1HZ LYS 7 -24.675 -7.681 0.152 53 HZ3 LYS 7 2HZ LYS 7 -23.890 -6.183 0.037 54 H MET 8 HN MET 8 -17.328 -6.424 -5.306 55 HA MET 8 HA MET 8 -14.859 -7.397 -4.074 56 HB2 MET 8 2HB MET 8 -15.457 -6.299 -6.803 57 HB3 MET 8 3HB MET 8 -13.812 -6.340 -6.182 58 HG2 MET 8 2HG MET 8 -13.954 -8.745 -5.898 59 HG3 MET 8 3HG MET 8 -15.621 -8.729 -6.470 60 HE1 MET 8 3HE MET 8 -14.921 -10.646 -8.255 61 HE2 MET 8 1HE MET 8 -13.279 -10.574 -7.615 62 HE3 MET 8 2HE MET 8 -13.552 -10.467 -9.352 63 H ILE 9 HN ILE 9 -13.595 -6.173 -2.992 64 HA ILE 9 HA ILE 9 -14.079 -3.270 -2.900 65 HB ILE 9 HB ILE 9 -12.755 -5.085 -0.889 66 HG12 ILE 9 2HG1 ILE 9 -15.465 -3.767 -0.883 67 HG13 ILE 9 3HG1 ILE 9 -15.131 -5.492 -0.933 68 HG21 ILE 9 1HG2 ILE 9 -13.512 -2.219 -0.427 69 HG22 ILE 9 2HG2 ILE 9 -11.910 -2.711 -0.980 70 HG23 ILE 9 3HG2 ILE 9 -12.513 -3.282 0.584 71 HD11 ILE 9 3HD1 ILE 9 -14.608 -3.622 1.362 72 HD12 ILE 9 1HD1 ILE 9 -14.125 -5.320 1.317 73 HD13 ILE 9 2HD1 ILE 9 -15.835 -4.885 1.271 74 H GLU 10 HN GLU 10 -12.602 -2.195 -4.078 75 HA GLU 10 HA GLU 10 -10.038 -3.499 -4.625 76 HB2 GLU 10 2HB GLU 10 -11.408 -1.153 -5.984 77 HB3 GLU 10 3HB GLU 10 -9.805 -1.736 -6.400 78 HG2 GLU 10 2HG GLU 10 -11.873 -3.804 -6.434 79 HG3 GLU 10 3HG GLU 10 -12.110 -2.511 -7.608 80 H VAL 11 HN VAL 11 -8.307 -2.850 -3.529 81 HA VAL 11 HA VAL 11 -8.344 -0.143 -2.373 82 HB VAL 11 HB VAL 11 -7.176 -2.634 -1.095 83 HG11 VAL 11 1HG1 VAL 11 -5.882 -0.642 -0.561 84 HG12 VAL 11 2HG1 VAL 11 -6.781 -1.191 0.854 85 HG13 VAL 11 3HG1 VAL 11 -7.352 0.199 -0.069 86 HG21 VAL 11 3HG2 VAL 11 -9.606 -1.013 -0.335 87 HG22 VAL 11 1HG2 VAL 11 -8.925 -2.342 0.605 88 HG23 VAL 11 2HG2 VAL 11 -9.607 -2.651 -0.991 89 H VAL 12 HN VAL 12 -6.493 1.023 -2.639 90 HA VAL 12 HA VAL 12 -4.276 -0.365 -3.986 91 HB VAL 12 HB VAL 12 -3.593 2.025 -4.670 92 HG11 VAL 12 1HG1 VAL 12 -6.031 0.700 -5.851 93 HG12 VAL 12 2HG1 VAL 12 -4.348 0.371 -6.263 94 HG13 VAL 12 3HG1 VAL 12 -5.063 1.936 -6.652 95 HG21 VAL 12 3HG2 VAL 12 -6.511 2.495 -4.067 96 HG22 VAL 12 1HG2 VAL 12 -5.432 3.614 -4.900 97 HG23 VAL 12 2HG2 VAL 12 -5.152 3.214 -3.203 98 H ALA 13 HN ALA 13 -2.319 -0.346 -3.115 99 HA ALA 13 HA ALA 13 -1.944 1.147 -0.607 100 HB1 ALA 13 1HB ALA 13 -0.685 -1.469 -1.473 101 HB2 ALA 13 2HB ALA 13 -1.969 -1.289 -0.274 102 HB3 ALA 13 3HB ALA 13 -0.367 -0.621 0.042 103 H ALA 14 HN ALA 14 -0.261 2.528 -0.536 104 HA ALA 14 HA ALA 14 1.354 2.732 -2.979 105 HB1 ALA 14 1HB ALA 14 0.704 4.754 -0.846 106 HB2 ALA 14 2HB ALA 14 0.153 4.743 -2.523 107 HB3 ALA 14 3HB ALA 14 1.851 5.032 -2.155 108 H ILE 15 HN ILE 15 3.336 1.990 -2.880 109 HA ILE 15 HA ILE 15 4.648 1.783 -0.279 110 HB ILE 15 HB ILE 15 5.330 0.621 -2.985 111 HG12 ILE 15 2HG1 ILE 15 4.232 -0.457 -0.407 112 HG13 ILE 15 3HG1 ILE 15 3.624 -0.669 -2.044 113 HG21 ILE 15 1HG2 ILE 15 7.236 -0.475 -1.968 114 HG22 ILE 15 2HG2 ILE 15 6.882 0.294 -0.424 115 HG23 ILE 15 3HG2 ILE 15 7.386 1.275 -1.797 116 HD11 ILE 15 3HD1 ILE 15 5.503 -2.145 -2.545 117 HD12 ILE 15 1HD1 ILE 15 4.549 -2.726 -1.177 118 HD13 ILE 15 2HD1 ILE 15 6.100 -1.922 -0.889 119 H ILE 16 HN ILE 16 5.455 3.735 0.246 120 HA ILE 16 HA ILE 16 6.498 5.513 -1.784 121 HB ILE 16 HB ILE 16 6.806 5.979 1.165 122 HG12 ILE 16 2HG1 ILE 16 4.422 5.164 0.638 123 HG13 ILE 16 3HG1 ILE 16 4.589 6.687 1.502 124 HG21 ILE 16 1HG2 ILE 16 6.236 7.790 -1.177 125 HG22 ILE 16 2HG2 ILE 16 7.775 7.597 -0.338 126 HG23 ILE 16 3HG2 ILE 16 6.400 8.322 0.496 127 HD11 ILE 16 3HD1 ILE 16 2.870 6.798 -0.200 128 HD12 ILE 16 1HD1 ILE 16 4.056 6.392 -1.442 129 HD13 ILE 16 2HD1 ILE 16 4.191 7.909 -0.550 130 H GLU 17 HN GLU 17 8.491 4.880 -2.538 131 HA GLU 17 HA GLU 17 10.387 3.888 -0.522 132 HB2 GLU 17 2HB GLU 17 9.814 2.238 -2.271 133 HB3 GLU 17 3HB GLU 17 10.424 3.346 -3.493 134 HG2 GLU 17 2HG GLU 17 12.643 3.240 -2.497 135 HG3 GLU 17 3HG GLU 17 12.036 2.147 -1.254 136 H ARG 18 HN ARG 18 11.776 5.324 0.060 137 HA ARG 18 HA ARG 18 12.883 7.150 -1.969 138 HB2 ARG 18 2HB ARG 18 11.276 8.054 -0.052 139 HB3 ARG 18 3HB ARG 18 12.752 7.973 0.899 140 HG2 ARG 18 2HG ARG 18 12.454 10.190 -0.003 141 HG3 ARG 18 3HG ARG 18 13.869 9.426 -0.733 142 HD2 ARG 18 2HD ARG 18 12.733 9.025 -2.757 143 HD3 ARG 18 3HD ARG 18 11.161 9.353 -2.031 144 HE ARG 18 HE ARG 18 12.571 11.699 -1.777 145 HH11 ARG 18 1HH1 ARG 18 11.664 9.625 -4.457 146 HH12 ARG 18 2HH1 ARG 18 11.474 10.942 -5.576 147 HH21 ARG 18 1HH2 ARG 18 12.299 13.435 -3.269 148 HH22 ARG 18 2HH2 ARG 18 11.829 13.087 -4.907 149 H ASP 19 HN ASP 19 14.981 6.892 -2.214 150 HA ASP 19 HA ASP 19 17.151 6.349 -1.893 151 HB2 ASP 19 2HB ASP 19 16.446 6.727 1.027 152 HB3 ASP 19 3HB ASP 19 18.081 6.464 0.426 153 H GLY 20 HN GLY 20 14.880 4.258 -1.679 154 HA2 GLY 20 2HA GLY 20 15.229 1.945 -1.879 155 HA3 GLY 20 3HA GLY 20 16.693 2.103 -0.921 156 H LYS 21 HN LYS 21 14.294 3.880 0.554 157 HA LYS 21 HA LYS 21 13.600 1.606 2.299 158 HB2 LYS 21 2HB LYS 21 13.763 4.495 3.151 159 HB3 LYS 21 3HB LYS 21 13.572 3.088 4.181 160 HG2 LYS 21 2HG LYS 21 15.923 2.631 2.745 161 HG3 LYS 21 3HG LYS 21 15.971 4.331 3.210 162 HD2 LYS 21 2HD LYS 21 15.627 3.771 5.516 163 HD3 LYS 21 3HD LYS 21 15.394 2.067 5.115 164 HE2 LYS 21 2HE LYS 21 17.625 2.417 5.992 165 HE3 LYS 21 3HE LYS 21 17.711 1.973 4.289 166 HZ1 LYS 21 3HZ LYS 21 18.220 4.161 3.674 167 HZ2 LYS 21 1HZ LYS 21 19.172 3.876 5.045 168 HZ3 LYS 21 2HZ LYS 21 17.757 4.794 5.176 169 H ILE 22 HN ILE 22 11.525 1.585 3.237 170 HA ILE 22 HA ILE 22 9.516 2.838 1.493 171 HB ILE 22 HB ILE 22 9.063 0.465 3.296 172 HG12 ILE 22 2HG1 ILE 22 9.930 0.400 0.401 173 HG13 ILE 22 3HG1 ILE 22 10.955 -0.021 1.766 174 HG21 ILE 22 1HG2 ILE 22 7.319 -0.011 1.517 175 HG22 ILE 22 2HG2 ILE 22 7.655 1.613 0.902 176 HG23 ILE 22 3HG2 ILE 22 7.031 1.404 2.537 177 HD11 ILE 22 3HD1 ILE 22 10.110 -2.013 0.725 178 HD12 ILE 22 1HD1 ILE 22 8.451 -1.439 0.896 179 HD13 ILE 22 2HD1 ILE 22 9.397 -1.837 2.330 180 H LEU 23 HN LEU 23 7.757 3.858 2.336 181 HA LEU 23 HA LEU 23 7.995 4.891 5.030 182 HB2 LEU 23 2HB LEU 23 7.482 6.386 3.175 183 HB3 LEU 23 3HB LEU 23 6.045 5.461 2.795 184 HG LEU 23 HG LEU 23 5.132 6.119 5.046 185 HD11 LEU 23 1HD1 LEU 23 6.161 8.091 6.111 186 HD12 LEU 23 2HD1 LEU 23 7.536 7.935 5.018 187 HD13 LEU 23 3HD1 LEU 23 7.185 6.658 6.183 188 HD21 LEU 23 3HD2 LEU 23 4.443 8.307 4.311 189 HD22 LEU 23 1HD2 LEU 23 4.514 7.225 2.915 190 HD23 LEU 23 2HD2 LEU 23 5.804 8.399 3.192 191 H LEU 24 HN LEU 24 7.024 4.014 6.707 192 HA LEU 24 HA LEU 24 4.494 2.543 6.290 193 HB2 LEU 24 2HB LEU 24 6.648 2.082 8.340 194 HB3 LEU 24 3HB LEU 24 5.033 1.435 8.516 195 HG LEU 24 HG LEU 24 6.981 0.781 6.335 196 HD11 LEU 24 1HD1 LEU 24 6.977 -1.449 7.292 197 HD12 LEU 24 2HD1 LEU 24 5.889 -0.897 8.567 198 HD13 LEU 24 3HD1 LEU 24 7.526 -0.247 8.462 199 HD21 LEU 24 3HD2 LEU 24 4.209 -0.282 6.758 200 HD22 LEU 24 1HD2 LEU 24 5.350 -0.811 5.522 201 HD23 LEU 24 2HD2 LEU 24 4.697 0.827 5.478 202 H ALA 25 HN ALA 25 2.800 2.903 7.655 203 HA ALA 25 HA ALA 25 3.066 5.198 9.496 204 HB1 ALA 25 1HB ALA 25 1.758 5.819 7.542 205 HB2 ALA 25 2HB ALA 25 0.723 5.750 8.971 206 HB3 ALA 25 3HB ALA 25 0.695 4.435 7.794 207 H GLN 26 HN GLN 26 2.753 4.637 11.566 208 HA GLN 26 HA GLN 26 1.799 2.084 12.299 209 HB2 GLN 26 2HB GLN 26 3.375 3.596 13.626 210 HB3 GLN 26 3HB GLN 26 1.931 4.427 14.184 211 HG2 GLN 26 2HG GLN 26 2.219 1.459 14.520 212 HG3 GLN 26 3HG GLN 26 2.972 2.578 15.654 213 HE21 GLN 26 1HE2 GLN 26 1.633 3.882 16.954 214 HE22 GLN 26 2HE2 GLN 26 -0.012 3.450 17.254 215 H ARG 27 HN ARG 27 -0.143 1.539 11.797 216 HA ARG 27 HA ARG 27 -2.179 2.076 13.610 217 HB2 ARG 27 2HB ARG 27 -2.466 4.149 12.189 218 HB3 ARG 27 3HB ARG 27 -2.841 3.089 10.832 219 HG2 ARG 27 2HG ARG 27 -4.657 2.101 12.284 220 HG3 ARG 27 3HG ARG 27 -4.378 3.447 13.386 221 HD2 ARG 27 2HD ARG 27 -4.836 4.992 11.475 222 HD3 ARG 27 3HD ARG 27 -5.306 3.579 10.524 223 HE ARG 27 HE ARG 27 -6.712 3.562 12.962 224 HH11 ARG 27 1HH1 ARG 27 -6.655 5.226 9.878 225 HH12 ARG 27 2HH1 ARG 27 -8.273 5.847 10.046 226 HH21 ARG 27 1HH2 ARG 27 -8.849 4.335 13.148 227 HH22 ARG 27 2HH2 ARG 27 -9.526 5.307 11.872 228 HA PRO 28 HA PRO 28 -3.071 -1.884 11.753 229 HB2 PRO 28 2HB PRO 28 -5.411 -2.418 13.007 230 HB3 PRO 28 3HB PRO 28 -3.841 -2.583 13.789 231 HG2 PRO 28 2HG PRO 28 -5.851 -0.412 14.020 232 HG3 PRO 28 3HG PRO 28 -4.816 -1.119 15.273 233 HD2 PRO 28 2HD PRO 28 -4.293 1.275 14.042 234 HD3 PRO 28 3HD PRO 28 -3.042 0.231 14.745 235 H ALA 29 HN ALA 29 -5.611 0.512 12.107 236 HA ALA 29 HA ALA 29 -7.160 1.395 10.705 237 HB1 ALA 29 1HB ALA 29 -5.634 -0.020 8.524 238 HB2 ALA 29 2HB ALA 29 -5.339 1.621 9.101 239 HB3 ALA 29 3HB ALA 29 -6.856 1.230 8.294 240 H GLN 30 HN GLN 30 -6.541 -1.731 9.174 241 HA GLN 30 HA GLN 30 -9.373 -2.268 8.991 242 HB2 GLN 30 2HB GLN 30 -6.983 -3.956 8.224 243 HB3 GLN 30 3HB GLN 30 -8.654 -4.277 7.776 244 HG2 GLN 30 2HG GLN 30 -8.733 -2.259 6.457 245 HG3 GLN 30 3HG GLN 30 -7.116 -1.813 6.991 246 HE21 GLN 30 1HE2 GLN 30 -5.346 -2.783 6.088 247 HE22 GLN 30 2HE2 GLN 30 -5.435 -3.797 4.694 248 H SER 31 HN SER 31 -7.147 -2.569 11.392 249 HA SER 31 HA SER 31 -8.615 -4.779 12.648 250 HB2 SER 31 2HB SER 31 -5.660 -4.163 12.921 251 HB3 SER 31 3HB SER 31 -6.520 -5.444 13.764 252 HG SER 31 HG SER 31 -5.846 -5.224 11.038 253 H ASP 32 HN ASP 32 -8.750 -4.638 14.975 254 HA ASP 32 HA ASP 32 -9.055 -1.943 15.935 255 HB2 ASP 32 2HB ASP 32 -10.636 -3.726 16.563 256 HB3 ASP 32 3HB ASP 32 -9.340 -4.585 17.387 257 H GLN 33 HN GLN 33 -6.974 -4.681 16.701 258 HA GLN 33 HA GLN 33 -5.500 -3.541 18.792 259 HB2 GLN 33 2HB GLN 33 -3.756 -5.281 18.063 260 HB3 GLN 33 3HB GLN 33 -5.337 -5.862 18.570 261 HG2 GLN 33 2HG GLN 33 -6.010 -6.099 16.242 262 HG3 GLN 33 3HG GLN 33 -4.442 -5.495 15.710 263 HE21 GLN 33 1HE2 GLN 33 -2.612 -6.823 16.006 264 HE22 GLN 33 2HE2 GLN 33 -2.762 -8.529 16.270 265 H ALA 34 HN ALA 34 -4.068 -1.933 18.812 266 HA ALA 34 HA ALA 34 -3.092 -0.898 16.262 267 HB1 ALA 34 1HB ALA 34 -2.943 0.313 19.020 268 HB2 ALA 34 2HB ALA 34 -4.188 0.646 17.816 269 HB3 ALA 34 3HB ALA 34 -2.516 1.111 17.505 270 H GLY 35 HN GLY 35 -0.811 0.286 16.644 271 HA2 GLY 35 2HA GLY 35 1.392 0.077 17.527 272 HA3 GLY 35 3HA GLY 35 1.032 -1.577 17.984 273 H LEU 36 HN LEU 36 -0.305 -1.541 15.192 274 HA LEU 36 HA LEU 36 1.902 -2.768 13.833 275 HB2 LEU 36 2HB LEU 36 -1.037 -2.468 13.305 276 HB3 LEU 36 3HB LEU 36 0.037 -3.096 12.075 277 HG LEU 36 HG LEU 36 0.601 -5.005 13.460 278 HD11 LEU 36 1HD1 LEU 36 -1.221 -3.806 15.543 279 HD12 LEU 36 2HD1 LEU 36 0.533 -3.963 15.664 280 HD13 LEU 36 3HD1 LEU 36 -0.481 -5.406 15.613 281 HD21 LEU 36 3HD2 LEU 36 -2.352 -4.472 13.359 282 HD22 LEU 36 1HD2 LEU 36 -1.609 -6.056 13.585 283 HD23 LEU 36 2HD2 LEU 36 -1.365 -5.171 12.075 284 H TRP 37 HN TRP 37 2.522 -2.243 11.652 285 HA TRP 37 HA TRP 37 2.006 0.569 10.931 286 HB2 TRP 37 2HB TRP 37 4.453 -1.072 10.173 287 HB3 TRP 37 3HB TRP 37 4.157 0.617 9.793 288 HD1 TRP 37 1HD TRP 37 4.676 -1.582 12.944 289 HE1 TRP 37 1HE TRP 37 5.800 -0.134 14.754 290 HE3 TRP 37 3HE TRP 37 4.739 2.893 10.472 291 HZ2 TRP 37 2HZ TRP 37 6.616 2.548 15.078 292 HZ3 TRP 37 3HZ TRP 37 5.705 4.849 11.600 293 HH2 TRP 37 2HH TRP 37 6.624 4.681 13.858 294 H GLU 38 HN GLU 38 1.569 1.010 8.724 295 HA GLU 38 HA GLU 38 0.885 -1.348 7.105 296 HB2 GLU 38 2HB GLU 38 -1.296 -0.374 6.599 297 HB3 GLU 38 3HB GLU 38 -1.120 -0.582 8.336 298 HG2 GLU 38 2HG GLU 38 -0.515 1.808 8.522 299 HG3 GLU 38 3HG GLU 38 -0.807 1.987 6.796 300 H PHE 39 HN PHE 39 0.537 -0.869 4.830 301 HA PHE 39 HA PHE 39 2.166 1.342 3.859 302 HB2 PHE 39 2HB PHE 39 0.683 -0.881 2.439 303 HB3 PHE 39 3HB PHE 39 1.583 0.379 1.600 304 HD1 PHE 39 2HD PHE 39 3.999 0.471 1.749 305 HD2 PHE 39 1HD PHE 39 1.768 -2.658 3.545 306 HE1 PHE 39 2HE PHE 39 6.037 -0.864 1.944 307 HE2 PHE 39 1HE PHE 39 3.799 -4.002 3.744 308 HZ PHE 39 HZ PHE 39 5.954 -3.115 2.945 309 H ALA 40 HN ALA 40 1.320 3.286 3.546 310 HA ALA 40 HA ALA 40 -1.380 3.897 3.955 311 HB1 ALA 40 1HB ALA 40 -0.819 6.145 3.233 312 HB2 ALA 40 2HB ALA 40 0.693 5.563 2.535 313 HB3 ALA 40 3HB ALA 40 0.444 5.500 4.282 314 H GLY 41 HN GLY 41 -2.979 4.705 2.495 315 HA2 GLY 41 2HA GLY 41 -2.919 4.768 -0.237 316 HA3 GLY 41 3HA GLY 41 -3.180 3.075 0.165 317 H GLY 42 HN GLY 42 -5.268 2.947 -0.600 318 HA2 GLY 42 2HA GLY 42 -7.353 3.644 1.124 319 HA3 GLY 42 3HA GLY 42 -7.253 4.907 -0.093 320 H LYS 43 HN LYS 43 -9.523 3.586 0.081 321 HA LYS 43 HA LYS 43 -9.653 1.381 -1.744 322 HB2 LYS 43 2HB LYS 43 -11.255 1.595 0.076 323 HB3 LYS 43 3HB LYS 43 -11.800 3.142 -0.551 324 HG2 LYS 43 2HG LYS 43 -12.722 2.052 -2.511 325 HG3 LYS 43 3HG LYS 43 -12.107 0.494 -1.950 326 HD2 LYS 43 2HD LYS 43 -13.532 0.557 -0.024 327 HD3 LYS 43 3HD LYS 43 -14.041 2.203 -0.399 328 HE2 LYS 43 2HE LYS 43 -15.082 1.392 -2.468 329 HE3 LYS 43 3HE LYS 43 -14.592 -0.253 -2.059 330 HZ1 LYS 43 3HZ LYS 43 -15.962 -0.167 -0.100 331 HZ2 LYS 43 1HZ LYS 43 -16.909 0.223 -1.454 332 HZ3 LYS 43 2HZ LYS 43 -16.379 1.445 -0.403 333 H VAL 44 HN VAL 44 -10.613 1.388 -3.807 334 HA VAL 44 HA VAL 44 -10.060 3.857 -5.286 335 HB VAL 44 HB VAL 44 -10.481 1.019 -6.250 336 HG11 VAL 44 1HG1 VAL 44 -9.621 3.470 -7.785 337 HG12 VAL 44 2HG1 VAL 44 -11.158 2.622 -7.951 338 HG13 VAL 44 3HG1 VAL 44 -9.656 1.824 -8.412 339 HG21 VAL 44 3HG2 VAL 44 -8.076 1.039 -6.688 340 HG22 VAL 44 1HG2 VAL 44 -8.420 1.306 -4.978 341 HG23 VAL 44 2HG2 VAL 44 -7.964 2.663 -6.008 342 H GLU 45 HN GLU 45 -11.691 5.131 -5.884 343 HA GLU 45 HA GLU 45 -14.386 4.144 -6.124 344 HB2 GLU 45 2HB GLU 45 -13.139 6.773 -6.962 345 HB3 GLU 45 3HB GLU 45 -14.858 6.417 -7.022 346 HG2 GLU 45 2HG GLU 45 -14.884 6.134 -4.594 347 HG3 GLU 45 3HG GLU 45 -13.163 6.500 -4.537 348 HA PRO 46 HA PRO 46 -13.845 2.327 -10.110 349 HB2 PRO 46 2HB PRO 46 -16.419 2.784 -11.071 350 HB3 PRO 46 3HB PRO 46 -15.921 1.402 -10.093 351 HG2 PRO 46 2HG PRO 46 -17.280 3.925 -9.258 352 HG3 PRO 46 3HG PRO 46 -17.523 2.270 -8.672 353 HD2 PRO 46 2HD PRO 46 -16.143 4.069 -7.245 354 HD3 PRO 46 3HD PRO 46 -15.670 2.356 -7.279 355 H ASP 47 HN ASP 47 -15.274 5.489 -9.785 356 HA ASP 47 HA ASP 47 -14.827 6.161 -12.547 357 HB2 ASP 47 2HB ASP 47 -15.797 7.858 -10.252 358 HB3 ASP 47 3HB ASP 47 -15.721 8.390 -11.928 359 H GLU 48 HN GLU 48 -12.702 5.947 -10.071 360 HA GLU 48 HA GLU 48 -10.994 7.969 -11.386 361 HB2 GLU 48 2HB GLU 48 -9.808 8.376 -9.326 362 HB3 GLU 48 3HB GLU 48 -11.521 8.640 -9.054 363 HG2 GLU 48 2HG GLU 48 -11.672 6.443 -7.987 364 HG3 GLU 48 3HG GLU 48 -9.938 6.222 -8.235 365 H SER 49 HN SER 49 -8.636 7.435 -11.251 366 HA SER 49 HA SER 49 -8.325 4.704 -12.087 367 HB2 SER 49 2HB SER 49 -6.245 6.886 -11.896 368 HB3 SER 49 3HB SER 49 -6.127 5.388 -12.815 369 HG SER 49 HG SER 49 -7.694 6.109 -14.206 370 H GLN 50 HN GLN 50 -6.548 3.336 -11.244 371 HA GLN 50 HA GLN 50 -6.683 3.211 -8.405 372 HB2 GLN 50 2HB GLN 50 -4.750 1.772 -10.227 373 HB3 GLN 50 3HB GLN 50 -5.171 1.324 -8.578 374 HG2 GLN 50 2HG GLN 50 -7.550 1.080 -9.395 375 HG3 GLN 50 3HG GLN 50 -6.903 1.211 -11.025 376 HE21 GLN 50 1HE2 GLN 50 -8.306 -0.997 -9.831 377 HE22 GLN 50 2HE2 GLN 50 -7.241 -2.358 -9.914 378 H ARG 51 HN ARG 51 -4.195 4.267 -10.689 379 HA ARG 51 HA ARG 51 -2.261 5.001 -8.754 380 HB2 ARG 51 2HB ARG 51 -2.738 6.363 -11.410 381 HB3 ARG 51 3HB ARG 51 -1.259 6.371 -10.470 382 HG2 ARG 51 2HG ARG 51 -1.055 3.928 -10.871 383 HG3 ARG 51 3HG ARG 51 -2.458 4.040 -11.940 384 HD2 ARG 51 2HD ARG 51 -1.236 5.768 -13.255 385 HD3 ARG 51 3HD ARG 51 0.180 5.470 -12.250 386 HE ARG 51 HE ARG 51 -1.003 3.249 -13.763 387 HH11 ARG 51 1HH1 ARG 51 1.650 5.471 -13.199 388 HH12 ARG 51 2HH1 ARG 51 2.745 4.641 -14.265 389 HH21 ARG 51 1HH2 ARG 51 0.420 2.157 -15.160 390 HH22 ARG 51 2HH2 ARG 51 2.041 2.736 -15.371 391 H GLN 52 HN GLN 52 -5.104 6.535 -10.053 392 HA GLN 52 HA GLN 52 -4.472 9.181 -9.199 393 HB2 GLN 52 2HB GLN 52 -5.938 8.694 -11.122 394 HB3 GLN 52 3HB GLN 52 -7.114 7.970 -10.035 395 HG2 GLN 52 2HG GLN 52 -7.543 10.061 -8.993 396 HG3 GLN 52 3HG GLN 52 -6.219 10.828 -9.867 397 HE21 GLN 52 1HE2 GLN 52 -9.484 9.752 -9.992 398 HE22 GLN 52 2HE2 GLN 52 -9.861 10.390 -11.557 399 H ALA 53 HN ALA 53 -6.506 6.553 -8.004 400 HA ALA 53 HA ALA 53 -7.596 7.841 -5.782 401 HB1 ALA 53 1HB ALA 53 -6.893 4.926 -6.107 402 HB2 ALA 53 2HB ALA 53 -8.399 5.694 -6.614 403 HB3 ALA 53 3HB ALA 53 -7.989 5.594 -4.899 404 H LEU 54 HN LEU 54 -4.576 5.977 -6.109 405 HA LEU 54 HA LEU 54 -3.710 6.267 -3.457 406 HB2 LEU 54 2HB LEU 54 -2.298 5.829 -6.055 407 HB3 LEU 54 3HB LEU 54 -1.368 6.143 -4.602 408 HG LEU 54 HG LEU 54 -3.285 3.859 -5.033 409 HD11 LEU 54 1HD1 LEU 54 -1.273 2.479 -4.855 410 HD12 LEU 54 2HD1 LEU 54 -0.288 3.938 -4.750 411 HD13 LEU 54 3HD1 LEU 54 -1.188 3.587 -6.224 412 HD21 LEU 54 3HD2 LEU 54 -2.391 3.092 -2.821 413 HD22 LEU 54 1HD2 LEU 54 -3.437 4.511 -2.750 414 HD23 LEU 54 2HD2 LEU 54 -1.693 4.698 -2.623 415 H VAL 55 HN VAL 55 -3.227 8.309 -6.282 416 HA VAL 55 HA VAL 55 -1.433 10.129 -5.119 417 HB VAL 55 HB VAL 55 -3.386 10.466 -7.393 418 HG11 VAL 55 1HG1 VAL 55 -2.287 12.572 -7.932 419 HG12 VAL 55 2HG1 VAL 55 -1.277 12.433 -6.493 420 HG13 VAL 55 3HG1 VAL 55 -3.019 12.654 -6.328 421 HG21 VAL 55 3HG2 VAL 55 -0.390 10.148 -7.252 422 HG22 VAL 55 1HG2 VAL 55 -1.299 10.477 -8.728 423 HG23 VAL 55 2HG2 VAL 55 -1.558 8.969 -7.851 424 H ARG 56 HN ARG 56 -4.994 10.142 -5.252 425 HA ARG 56 HA ARG 56 -5.144 12.637 -3.880 426 HB2 ARG 56 2HB ARG 56 -7.575 12.207 -3.756 427 HB3 ARG 56 3HB ARG 56 -6.922 12.130 -5.382 428 HG2 ARG 56 2HG ARG 56 -8.296 10.322 -5.400 429 HG3 ARG 56 3HG ARG 56 -6.795 9.564 -4.864 430 HD2 ARG 56 2HD ARG 56 -8.670 8.811 -3.540 431 HD3 ARG 56 3HD ARG 56 -7.531 9.707 -2.554 432 HE ARG 56 HE ARG 56 -9.081 11.446 -2.345 433 HH11 ARG 56 1HH1 ARG 56 -10.313 8.818 -4.330 434 HH12 ARG 56 2HH1 ARG 56 -11.968 9.331 -4.196 435 HH21 ARG 56 1HH2 ARG 56 -11.222 12.115 -2.164 436 HH22 ARG 56 2HH2 ARG 56 -12.489 11.241 -2.973 437 H GLU 57 HN GLU 57 -5.626 9.252 -2.892 438 HA GLU 57 HA GLU 57 -6.426 9.803 -0.288 439 HB2 GLU 57 2HB GLU 57 -4.991 7.416 -1.439 440 HB3 GLU 57 3HB GLU 57 -5.502 7.481 0.241 441 HG2 GLU 57 2HG GLU 57 -7.358 7.794 -2.107 442 HG3 GLU 57 3HG GLU 57 -7.066 6.274 -1.264 443 H LEU 58 HN LEU 58 -3.150 9.381 -1.574 444 HA LEU 58 HA LEU 58 -1.898 9.652 0.982 445 HB2 LEU 58 2HB LEU 58 -0.635 10.336 -1.652 446 HB3 LEU 58 3HB LEU 58 0.175 9.887 -0.171 447 HG LEU 58 HG LEU 58 -1.482 8.075 -1.904 448 HD11 LEU 58 1HD1 LEU 58 0.632 6.932 -2.319 449 HD12 LEU 58 2HD1 LEU 58 1.476 8.140 -1.350 450 HD13 LEU 58 3HD1 LEU 58 0.690 8.609 -2.857 451 HD21 LEU 58 3HD2 LEU 58 -0.774 6.289 -0.400 452 HD22 LEU 58 1HD2 LEU 58 -1.760 7.492 0.430 453 HD23 LEU 58 2HD2 LEU 58 -0.010 7.481 0.651 454 H ARG 59 HN ARG 59 -2.844 11.875 -1.565 455 HA ARG 59 HA ARG 59 -1.623 14.169 -0.517 456 HB2 ARG 59 2HB ARG 59 -2.540 14.069 -2.785 457 HB3 ARG 59 3HB ARG 59 -4.168 13.928 -2.128 458 HG2 ARG 59 2HG ARG 59 -4.058 16.130 -1.218 459 HG3 ARG 59 3HG ARG 59 -2.359 16.282 -1.664 460 HD2 ARG 59 2HD ARG 59 -3.219 15.812 -4.071 461 HD3 ARG 59 3HD ARG 59 -4.784 16.291 -3.412 462 HE ARG 59 HE ARG 59 -3.047 18.282 -2.658 463 HH11 ARG 59 1HH1 ARG 59 -4.189 16.889 -5.659 464 HH12 ARG 59 2HH1 ARG 59 -3.814 18.293 -6.613 465 HH21 ARG 59 1HH2 ARG 59 -2.574 20.151 -3.894 466 HH22 ARG 59 2HH2 ARG 59 -2.927 20.173 -5.598 467 H GLU 60 HN GLU 60 -4.707 12.615 0.184 468 HA GLU 60 HA GLU 60 -5.521 14.808 1.859 469 HB2 GLU 60 2HB GLU 60 -6.842 12.105 1.523 470 HB3 GLU 60 3HB GLU 60 -7.571 13.550 2.212 471 HG2 GLU 60 2HG GLU 60 -7.267 14.656 -0.003 472 HG3 GLU 60 3HG GLU 60 -6.744 13.109 -0.643 473 H GLU 61 HN GLU 61 -4.355 11.509 2.322 474 HA GLU 61 HA GLU 61 -4.551 11.763 5.197 475 HB2 GLU 61 2HB GLU 61 -3.484 9.595 3.408 476 HB3 GLU 61 3HB GLU 61 -3.275 9.553 5.160 477 HG2 GLU 61 2HG GLU 61 -5.916 9.703 3.746 478 HG3 GLU 61 3HG GLU 61 -5.188 8.246 4.433 479 H LEU 62 HN LEU 62 -1.866 11.516 2.845 480 HA LEU 62 HA LEU 62 -0.012 11.941 5.061 481 HB2 LEU 62 2HB LEU 62 0.596 11.380 2.160 482 HB3 LEU 62 3HB LEU 62 1.725 11.315 3.499 483 HG LEU 62 HG LEU 62 -0.609 9.439 3.051 484 HD11 LEU 62 1HD1 LEU 62 1.109 7.772 2.642 485 HD12 LEU 62 2HD1 LEU 62 2.371 8.981 2.881 486 HD13 LEU 62 3HD1 LEU 62 1.274 9.113 1.507 487 HD21 LEU 62 3HD2 LEU 62 1.510 9.446 5.209 488 HD22 LEU 62 1HD2 LEU 62 0.292 8.196 4.956 489 HD23 LEU 62 2HD2 LEU 62 -0.198 9.821 5.434 490 H GLY 63 HN GLY 63 -1.350 13.633 2.310 491 HA2 GLY 63 2HA GLY 63 -1.365 15.957 2.092 492 HA3 GLY 63 3HA GLY 63 -0.132 16.066 3.343 493 H ILE 64 HN ILE 64 0.278 13.816 0.748 494 HA ILE 64 HA ILE 64 2.356 15.572 -0.375 495 HB ILE 64 HB ILE 64 3.694 13.581 -0.929 496 HG12 ILE 64 2HG1 ILE 64 1.744 12.040 0.801 497 HG13 ILE 64 3HG1 ILE 64 1.823 11.941 -0.954 498 HG21 ILE 64 1HG2 ILE 64 4.482 13.082 1.347 499 HG22 ILE 64 2HG2 ILE 64 3.040 13.868 1.994 500 HG23 ILE 64 3HG2 ILE 64 4.219 14.808 1.080 501 HD11 ILE 64 3HD1 ILE 64 4.054 11.208 0.931 502 HD12 ILE 64 1HD1 ILE 64 4.078 11.054 -0.824 503 HD13 ILE 64 2HD1 ILE 64 2.968 10.072 0.133 504 H GLU 65 HN GLU 65 2.555 15.693 -2.536 505 HA GLU 65 HA GLU 65 0.458 14.483 -4.162 506 HB2 GLU 65 2HB GLU 65 2.602 16.523 -4.797 507 HB3 GLU 65 3HB GLU 65 1.448 15.910 -5.977 508 HG2 GLU 65 2HG GLU 65 -0.384 16.830 -4.741 509 HG3 GLU 65 3HG GLU 65 0.688 17.322 -3.435 510 H ALA 66 HN ALA 66 0.994 12.368 -4.357 511 HA ALA 66 HA ALA 66 3.750 11.582 -4.753 512 HB1 ALA 66 1HB ALA 66 2.927 9.311 -4.518 513 HB2 ALA 66 2HB ALA 66 1.262 9.890 -4.580 514 HB3 ALA 66 3HB ALA 66 2.301 10.332 -3.224 515 H THR 67 HN THR 67 4.491 10.269 -6.446 516 HA THR 67 HA THR 67 2.929 10.446 -8.932 517 HB THR 67 HB THR 67 5.931 10.127 -8.654 518 HG1 THR 67 1HG THR 67 4.277 12.408 -9.058 519 HG21 THR 67 3HG2 THR 67 5.018 9.208 -10.733 520 HG22 THR 67 1HG2 THR 67 5.963 10.664 -11.049 521 HG23 THR 67 2HG2 THR 67 4.200 10.737 -11.056 522 H VAL 68 HN VAL 68 1.997 8.537 -9.384 523 HA VAL 68 HA VAL 68 3.160 6.091 -8.292 524 HB VAL 68 HB VAL 68 0.508 6.480 -9.684 525 HG11 VAL 68 1HG1 VAL 68 1.586 4.168 -8.077 526 HG12 VAL 68 2HG1 VAL 68 1.302 4.191 -9.819 527 HG13 VAL 68 3HG1 VAL 68 -0.058 4.302 -8.703 528 HG21 VAL 68 3HG2 VAL 68 -0.475 6.371 -7.441 529 HG22 VAL 68 1HG2 VAL 68 0.606 7.754 -7.611 530 HG23 VAL 68 2HG2 VAL 68 1.144 6.317 -6.739 531 H GLY 69 HN GLY 69 4.323 4.728 -9.536 532 HA2 GLY 69 2HA GLY 69 4.127 5.112 -12.457 533 HA3 GLY 69 3HA GLY 69 5.671 4.967 -11.639 534 H GLU 70 HN GLU 70 6.112 2.912 -10.525 535 HA GLU 70 HA GLU 70 5.296 0.776 -12.315 536 HB2 GLU 70 2HB GLU 70 7.145 -0.498 -11.031 537 HB3 GLU 70 3HB GLU 70 7.598 0.767 -12.155 538 HG2 GLU 70 2HG GLU 70 7.327 1.341 -9.222 539 HG3 GLU 70 3HG GLU 70 8.795 0.635 -9.886 540 H TYR 71 HN TYR 71 3.980 -0.816 -11.847 541 HA TYR 71 HA TYR 71 2.744 -1.038 -9.253 542 HB2 TYR 71 2HB TYR 71 1.235 -1.370 -10.986 543 HB3 TYR 71 3HB TYR 71 2.387 -2.278 -11.956 544 HD1 TYR 71 1HD TYR 71 0.367 -2.535 -8.830 545 HD2 TYR 71 2HD TYR 71 2.249 -4.582 -12.047 546 HE1 TYR 71 1HE TYR 71 -0.654 -4.643 -8.083 547 HE2 TYR 71 2HE TYR 71 1.239 -6.694 -11.307 548 HH TYR 71 HH TYR 71 0.359 -7.684 -9.285 549 H VAL 72 HN VAL 72 3.098 -2.592 -7.711 550 HA VAL 72 HA VAL 72 5.417 -4.328 -8.175 551 HB VAL 72 HB VAL 72 4.077 -3.583 -5.577 552 HG11 VAL 72 1HG1 VAL 72 5.175 -5.751 -5.439 553 HG12 VAL 72 2HG1 VAL 72 6.071 -4.540 -4.518 554 HG13 VAL 72 3HG1 VAL 72 6.658 -5.055 -6.100 555 HG21 VAL 72 3HG2 VAL 72 5.121 -1.653 -6.589 556 HG22 VAL 72 1HG2 VAL 72 6.610 -2.561 -6.860 557 HG23 VAL 72 2HG2 VAL 72 6.086 -2.194 -5.215 558 H ALA 73 HN ALA 73 2.484 -4.731 -6.099 559 HA ALA 73 HA ALA 73 1.943 -7.270 -7.423 560 HB1 ALA 73 1HB ALA 73 2.725 -7.189 -4.512 561 HB2 ALA 73 2HB ALA 73 3.678 -7.882 -5.825 562 HB3 ALA 73 3HB ALA 73 2.129 -8.601 -5.383 563 H SER 74 HN SER 74 -0.004 -8.325 -6.620 564 HA SER 74 HA SER 74 -1.780 -6.566 -5.079 565 HB2 SER 74 2HB SER 74 -2.502 -8.127 -7.570 566 HB3 SER 74 3HB SER 74 -3.658 -7.283 -6.542 567 HG SER 74 HG SER 74 -1.694 -6.251 -8.265 568 H HIS 75 HN HIS 75 -3.246 -7.624 -3.722 569 HA HIS 75 HA HIS 75 -3.019 -10.552 -3.592 570 HB2 HIS 75 2HB HIS 75 -1.504 -9.431 -1.889 571 HB3 HIS 75 3HB HIS 75 -2.964 -8.822 -1.119 572 HD1 HIS 75 1HD HIS 75 -4.004 -10.326 0.582 573 HD2 HIS 75 2HD HIS 75 -1.449 -12.382 -1.967 574 HE1 HIS 75 1HE HIS 75 -3.886 -12.663 1.485 575 HE2 HIS 75 2HE HIS 75 -2.146 -13.808 0.075 576 H GLN 76 HN GLN 76 -4.900 -11.584 -3.102 577 HA GLN 76 HA GLN 76 -7.218 -9.865 -2.545 578 HB2 GLN 76 2HB GLN 76 -7.012 -12.517 -3.949 579 HB3 GLN 76 3HB GLN 76 -8.545 -11.910 -3.330 580 HG2 GLN 76 2HG GLN 76 -8.138 -9.840 -4.672 581 HG3 GLN 76 3HG GLN 76 -6.787 -10.684 -5.429 582 HE21 GLN 76 1HE2 GLN 76 -8.254 -13.267 -5.318 583 HE22 GLN 76 2HE2 GLN 76 -9.422 -13.170 -6.601 584 H ARG 77 HN ARG 77 -8.620 -10.337 -0.976 585 HA ARG 77 HA ARG 77 -8.510 -12.782 0.532 586 HB2 ARG 77 2HB ARG 77 -7.996 -11.876 2.681 587 HB3 ARG 77 3HB ARG 77 -6.715 -11.353 1.601 588 HG2 ARG 77 2HG ARG 77 -7.766 -9.142 1.436 589 HG3 ARG 77 3HG ARG 77 -9.039 -9.677 2.538 590 HD2 ARG 77 2HD ARG 77 -7.247 -10.199 4.209 591 HD3 ARG 77 3HD ARG 77 -6.098 -9.424 3.126 592 HE ARG 77 HE ARG 77 -7.815 -7.451 3.434 593 HH11 ARG 77 1HH1 ARG 77 -6.593 -9.699 5.826 594 HH12 ARG 77 2HH1 ARG 77 -6.677 -8.550 7.128 595 HH21 ARG 77 1HH2 ARG 77 -7.910 -5.924 5.168 596 HH22 ARG 77 2HH2 ARG 77 -7.408 -6.423 6.758 597 H GLU 78 HN GLU 78 -10.309 -12.536 2.377 598 HA GLU 78 HA GLU 78 -12.407 -10.927 1.104 599 HB2 GLU 78 2HB GLU 78 -14.032 -12.574 1.605 600 HB3 GLU 78 3HB GLU 78 -12.660 -13.433 0.925 601 HG2 GLU 78 2HG GLU 78 -11.951 -14.074 3.176 602 HG3 GLU 78 3HG GLU 78 -13.338 -13.216 3.844 603 H VAL 79 HN VAL 79 -13.887 -9.867 2.347 604 HA VAL 79 HA VAL 79 -13.330 -9.725 5.223 605 HB VAL 79 HB VAL 79 -12.552 -7.653 4.364 606 HG11 VAL 79 1HG1 VAL 79 -13.608 -7.683 2.177 607 HG12 VAL 79 2HG1 VAL 79 -13.899 -6.147 2.991 608 HG13 VAL 79 3HG1 VAL 79 -15.178 -7.361 2.916 609 HG21 VAL 79 3HG2 VAL 79 -14.015 -6.036 5.448 610 HG22 VAL 79 1HG2 VAL 79 -13.841 -7.498 6.418 611 HG23 VAL 79 2HG2 VAL 79 -15.313 -7.229 5.486 612 H SER 80 HN SER 80 -14.913 -11.102 5.839 613 HA SER 80 HA SER 80 -16.972 -11.986 6.202 614 HB2 SER 80 2HB SER 80 -17.810 -9.083 6.119 615 HB3 SER 80 3HB SER 80 -18.650 -10.396 6.941 616 HG SER 80 HG SER 80 -16.924 -10.588 8.367 617 H GLY 81 HN GLY 81 -16.719 -12.744 3.829 618 HA2 GLY 81 2HA GLY 81 -18.009 -13.485 2.081 619 HA3 GLY 81 3HA GLY 81 -19.299 -12.427 2.623 620 H ARG 82 HN ARG 82 -16.599 -10.531 2.286 621 HA ARG 82 HA ARG 82 -17.252 -9.936 -0.535 622 HB2 ARG 82 2HB ARG 82 -16.494 -8.092 1.726 623 HB3 ARG 82 3HB ARG 82 -16.342 -7.612 0.041 624 HG2 ARG 82 2HG ARG 82 -18.751 -8.104 -0.248 625 HG3 ARG 82 3HG ARG 82 -18.852 -8.382 1.493 626 HD2 ARG 82 2HD ARG 82 -17.770 -5.844 0.311 627 HD3 ARG 82 3HD ARG 82 -19.474 -6.074 0.666 628 HE ARG 82 HE ARG 82 -18.184 -6.720 2.995 629 HH11 ARG 82 1HH1 ARG 82 -18.421 -3.886 0.950 630 HH12 ARG 82 2HH1 ARG 82 -18.010 -2.774 2.225 631 HH21 ARG 82 1HH2 ARG 82 -17.683 -5.292 4.672 632 HH22 ARG 82 2HH2 ARG 82 -17.554 -3.583 4.358 633 H ILE 83 HN ILE 83 -15.577 -9.446 -1.927 634 HA ILE 83 HA ILE 83 -12.999 -10.526 -1.011 635 HB ILE 83 HB ILE 83 -14.200 -10.287 -3.765 636 HG12 ILE 83 2HG1 ILE 83 -13.687 -12.759 -3.775 637 HG13 ILE 83 3HG1 ILE 83 -13.243 -12.614 -2.081 638 HG21 ILE 83 1HG2 ILE 83 -11.870 -9.620 -3.953 639 HG22 ILE 83 2HG2 ILE 83 -12.123 -11.209 -4.676 640 HG23 ILE 83 3HG2 ILE 83 -11.370 -11.073 -3.087 641 HD11 ILE 83 3HD1 ILE 83 -15.516 -11.927 -1.543 642 HD12 ILE 83 1HD1 ILE 83 -15.489 -13.494 -2.351 643 HD13 ILE 83 2HD1 ILE 83 -15.959 -12.049 -3.246 644 H ILE 84 HN ILE 84 -11.520 -9.110 -0.435 645 HA ILE 84 HA ILE 84 -11.420 -6.479 -1.695 646 HB ILE 84 HB ILE 84 -9.221 -6.872 0.087 647 HG12 ILE 84 2HG1 ILE 84 -11.894 -7.782 1.107 648 HG13 ILE 84 3HG1 ILE 84 -10.301 -8.487 1.386 649 HG21 ILE 84 1HG2 ILE 84 -10.284 -4.745 -0.556 650 HG22 ILE 84 2HG2 ILE 84 -10.121 -4.953 1.190 651 HG23 ILE 84 3HG2 ILE 84 -11.689 -5.198 0.420 652 HD11 ILE 84 3HD1 ILE 84 -9.700 -6.581 2.784 653 HD12 ILE 84 1HD1 ILE 84 -11.145 -7.392 3.386 654 HD13 ILE 84 2HD1 ILE 84 -11.297 -5.865 2.493 655 H HIS 85 HN HIS 85 -9.832 -5.780 -2.984 656 HA HIS 85 HA HIS 85 -7.680 -7.677 -3.685 657 HB2 HIS 85 2HB HIS 85 -9.585 -7.410 -5.389 658 HB3 HIS 85 3HB HIS 85 -8.986 -5.777 -5.635 659 HD1 HIS 85 1HD HIS 85 -8.756 -8.983 -7.093 660 HD2 HIS 85 2HD HIS 85 -6.014 -5.956 -6.330 661 HE1 HIS 85 1HE HIS 85 -6.845 -9.390 -8.672 662 HE2 HIS 85 2HE HIS 85 -5.368 -7.366 -8.401 663 H LEU 86 HN LEU 86 -5.983 -6.738 -2.643 664 HA LEU 86 HA LEU 86 -5.682 -3.844 -2.676 665 HB2 LEU 86 2HB LEU 86 -4.241 -6.067 -1.274 666 HB3 LEU 86 3HB LEU 86 -3.540 -4.465 -1.349 667 HG LEU 86 HG LEU 86 -5.803 -3.675 -0.354 668 HD11 LEU 86 1HD1 LEU 86 -7.011 -5.756 -0.638 669 HD12 LEU 86 2HD1 LEU 86 -6.902 -5.324 1.068 670 HD13 LEU 86 3HD1 LEU 86 -5.859 -6.587 0.409 671 HD21 LEU 86 3HD2 LEU 86 -3.783 -5.229 1.253 672 HD22 LEU 86 1HD2 LEU 86 -4.974 -4.116 1.928 673 HD23 LEU 86 2HD2 LEU 86 -3.720 -3.515 0.840 674 H HIS 87 HN HIS 87 -4.298 -2.716 -3.873 675 HA HIS 87 HA HIS 87 -2.478 -4.193 -5.680 676 HB2 HIS 87 2HB HIS 87 -3.676 -1.452 -6.128 677 HB3 HIS 87 3HB HIS 87 -2.746 -2.398 -7.280 678 HD1 HIS 87 1HD HIS 87 -6.119 -2.333 -5.587 679 HD2 HIS 87 2HD HIS 87 -4.227 -4.117 -8.831 680 HE1 HIS 87 1HE HIS 87 -7.950 -3.415 -6.922 681 HE2 HIS 87 2HE HIS 87 -6.804 -4.321 -8.976 682 H ALA 88 HN ALA 88 -0.406 -3.949 -5.029 683 HA ALA 88 HA ALA 88 0.372 -1.550 -3.565 684 HB1 ALA 88 1HB ALA 88 2.530 -2.653 -3.253 685 HB2 ALA 88 2HB ALA 88 2.005 -3.980 -4.291 686 HB3 ALA 88 3HB ALA 88 1.195 -3.688 -2.751 687 H TRP 89 HN TRP 89 0.784 0.183 -4.729 688 HA TRP 89 HA TRP 89 2.291 -0.124 -7.237 689 HB2 TRP 89 2HB TRP 89 0.570 2.138 -6.208 690 HB3 TRP 89 3HB TRP 89 1.588 2.274 -7.637 691 HD1 TRP 89 1HD TRP 89 -1.560 0.449 -6.379 692 HE1 TRP 89 1HE TRP 89 -2.926 -0.310 -8.426 693 HE3 TRP 89 3HE TRP 89 1.732 1.729 -10.076 694 HZ2 TRP 89 2HZ TRP 89 -2.644 -0.361 -11.236 695 HZ3 TRP 89 3HZ TRP 89 1.107 1.299 -12.414 696 HH2 TRP 89 2HH TRP 89 -1.035 0.274 -12.983 697 H HIS 90 HN HIS 90 4.231 0.888 -7.502 698 HA HIS 90 HA HIS 90 5.592 1.651 -5.064 699 HB2 HIS 90 2HB HIS 90 6.692 0.146 -6.646 700 HB3 HIS 90 3HB HIS 90 6.553 1.350 -7.918 701 HD1 HIS 90 1HD HIS 90 8.385 3.080 -8.096 702 HD2 HIS 90 2HD HIS 90 8.626 0.793 -4.623 703 HE1 HIS 90 1HE HIS 90 10.636 3.593 -7.085 704 HE2 HIS 90 2HE HIS 90 10.856 1.998 -5.140 705 H VAL 91 HN VAL 91 5.645 3.667 -4.390 706 HA VAL 91 HA VAL 91 5.334 5.867 -6.291 707 HB VAL 91 HB VAL 91 5.445 5.920 -3.265 708 HG11 VAL 91 1HG1 VAL 91 6.196 8.021 -4.238 709 HG12 VAL 91 2HG1 VAL 91 4.616 8.218 -3.480 710 HG13 VAL 91 3HG1 VAL 91 4.743 8.093 -5.234 711 HG21 VAL 91 3HG2 VAL 91 3.088 6.126 -5.137 712 HG22 VAL 91 1HG2 VAL 91 3.030 6.334 -3.388 713 HG23 VAL 91 2HG2 VAL 91 3.460 4.768 -4.075 714 HA PRO 92 HA PRO 92 9.829 5.813 -5.953 715 HB2 PRO 92 2HB PRO 92 10.372 6.495 -8.451 716 HB3 PRO 92 3HB PRO 92 9.601 4.953 -8.120 717 HG2 PRO 92 2HG PRO 92 8.342 7.522 -9.018 718 HG3 PRO 92 3HG PRO 92 8.113 5.884 -9.666 719 HD2 PRO 92 2HD PRO 92 6.438 7.066 -7.826 720 HD3 PRO 92 3HD PRO 92 6.636 5.313 -8.014 721 H ASP 93 HN ASP 93 7.661 8.407 -6.430 722 HA ASP 93 HA ASP 93 9.532 10.292 -5.314 723 HB2 ASP 93 2HB ASP 93 9.949 10.305 -7.839 724 HB3 ASP 93 3HB ASP 93 8.344 11.013 -7.993 725 H PHE 94 HN PHE 94 8.498 12.076 -4.376 726 HA PHE 94 HA PHE 94 5.651 12.454 -4.811 727 HB2 PHE 94 2HB PHE 94 5.079 12.259 -2.433 728 HB3 PHE 94 3HB PHE 94 5.711 10.738 -3.049 729 HD1 PHE 94 2HD PHE 94 8.055 10.062 -2.470 730 HD2 PHE 94 1HD PHE 94 6.128 13.402 -0.662 731 HE1 PHE 94 2HE PHE 94 9.715 10.037 -0.654 732 HE2 PHE 94 1HE PHE 94 7.788 13.383 1.148 733 HZ PHE 94 HZ PHE 94 9.586 11.699 1.155 734 H HIS 95 HN HIS 95 4.920 14.502 -4.245 735 HA HIS 95 HA HIS 95 7.034 16.416 -3.514 736 HB2 HIS 95 2HB HIS 95 6.108 16.894 -5.674 737 HB3 HIS 95 3HB HIS 95 4.465 16.709 -5.075 738 HD1 HIS 95 1HD HIS 95 7.321 19.132 -5.168 739 HD2 HIS 95 2HD HIS 95 3.385 18.953 -3.822 740 HE1 HIS 95 1HE HIS 95 6.681 21.504 -4.600 741 HE2 HIS 95 2HE HIS 95 4.256 21.383 -3.910 742 H GLY 96 HN GLY 96 6.968 17.192 -1.492 743 HA2 GLY 96 2HA GLY 96 5.492 18.705 -0.109 744 HA3 GLY 96 3HA GLY 96 4.335 17.383 -0.167 745 H THR 97 HN THR 97 4.484 17.629 2.218 746 HA THR 97 HA THR 97 6.742 16.046 3.241 747 HB THR 97 HB THR 97 5.240 18.233 4.706 748 HG1 THR 97 1HG THR 97 6.801 18.983 3.154 749 HG21 THR 97 3HG2 THR 97 6.906 17.862 6.496 750 HG22 THR 97 1HG2 THR 97 7.538 16.484 5.601 751 HG23 THR 97 2HG2 THR 97 5.890 16.446 6.230 752 H LEU 98 HN LEU 98 6.177 14.246 4.293 753 HA LEU 98 HA LEU 98 3.396 13.514 4.072 754 HB2 LEU 98 2HB LEU 98 4.321 11.257 4.931 755 HB3 LEU 98 3HB LEU 98 4.673 11.786 3.300 756 HG LEU 98 HG LEU 98 6.832 12.770 4.572 757 HD11 LEU 98 1HD1 LEU 98 7.653 11.068 6.133 758 HD12 LEU 98 2HD1 LEU 98 6.090 10.256 6.060 759 HD13 LEU 98 3HD1 LEU 98 6.209 11.879 6.740 760 HD21 LEU 98 3HD2 LEU 98 8.023 10.858 3.665 761 HD22 LEU 98 1HD2 LEU 98 6.764 11.397 2.551 762 HD23 LEU 98 2HD2 LEU 98 6.511 9.958 3.542 763 H GLN 99 HN GLN 99 1.968 13.456 5.581 764 HA GLN 99 HA GLN 99 2.801 13.686 8.387 765 HB2 GLN 99 2HB GLN 99 1.167 15.405 8.760 766 HB3 GLN 99 3HB GLN 99 2.105 15.891 7.344 767 HG2 GLN 99 2HG GLN 99 0.317 15.057 5.891 768 HG3 GLN 99 3HG GLN 99 -0.629 14.630 7.315 769 HE21 GLN 99 1HE2 GLN 99 -1.544 16.260 8.566 770 HE22 GLN 99 2HE2 GLN 99 -1.737 17.871 7.958 771 H ALA 100 HN ALA 100 1.130 12.875 9.879 772 HA ALA 100 HA ALA 100 -0.409 10.755 8.545 773 HB1 ALA 100 1HB ALA 100 0.529 10.881 11.403 774 HB2 ALA 100 2HB ALA 100 1.318 10.003 10.092 775 HB3 ALA 100 3HB ALA 100 -0.292 9.525 10.629 776 H HIS 101 HN HIS 101 -2.435 11.453 8.175 777 HA HIS 101 HA HIS 101 -3.928 12.959 10.110 778 HB2 HIS 101 2HB HIS 101 -4.415 13.300 7.768 779 HB3 HIS 101 3HB HIS 101 -4.705 11.584 7.529 780 HD1 HIS 101 1HD HIS 101 -7.093 11.106 7.258 781 HD2 HIS 101 2HD HIS 101 -6.453 14.261 9.900 782 HE1 HIS 101 1HE HIS 101 -9.375 11.814 8.044 783 HE2 HIS 101 2HE HIS 101 -8.944 13.550 9.811 784 H GLU 102 HN GLU 102 -4.754 9.864 8.576 785 HA GLU 102 HA GLU 102 -6.338 9.079 10.834 786 HB2 GLU 102 2HB GLU 102 -5.677 7.952 8.147 787 HB3 GLU 102 3HB GLU 102 -6.392 6.891 9.365 788 HG2 GLU 102 2HG GLU 102 -7.578 9.476 8.373 789 HG3 GLU 102 3HG GLU 102 -8.081 7.856 7.888 790 H HIS 103 HN HIS 103 -3.074 8.714 9.998 791 HA HIS 103 HA HIS 103 -2.788 6.292 11.648 792 HB2 HIS 103 2HB HIS 103 -0.650 7.413 9.834 793 HB3 HIS 103 3HB HIS 103 -0.821 5.768 10.436 794 HD1 HIS 103 1HD HIS 103 -2.331 4.151 9.073 795 HD2 HIS 103 2HD HIS 103 -2.295 8.067 7.635 796 HE1 HIS 103 1HE HIS 103 -3.488 4.079 6.845 797 HE2 HIS 103 2HE HIS 103 -3.670 6.480 6.128 798 H GLN 104 HN GLN 104 -0.537 6.318 12.886 799 HA GLN 104 HA GLN 104 -0.613 8.798 14.408 800 HB2 GLN 104 2HB GLN 104 -0.589 6.570 15.549 801 HB3 GLN 104 3HB GLN 104 1.064 6.356 14.983 802 HG2 GLN 104 2HG GLN 104 1.660 8.471 16.158 803 HG3 GLN 104 3HG GLN 104 0.039 8.484 16.843 804 HE21 GLN 104 1HE2 GLN 104 0.710 8.312 18.927 805 HE22 GLN 104 2HE2 GLN 104 1.436 6.880 19.583 806 H ALA 105 HN ALA 105 2.182 6.798 13.450 807 HA ALA 105 HA ALA 105 3.595 9.292 12.772 808 HB1 ALA 105 1HB ALA 105 5.617 8.382 13.817 809 HB2 ALA 105 2HB ALA 105 4.712 6.954 14.320 810 HB3 ALA 105 3HB ALA 105 4.300 8.537 14.981 811 H LEU 106 HN LEU 106 5.684 8.808 11.549 812 HA LEU 106 HA LEU 106 5.166 6.673 9.580 813 HB2 LEU 106 2HB LEU 106 6.331 9.427 9.149 814 HB3 LEU 106 3HB LEU 106 6.362 8.157 7.947 815 HG LEU 106 HG LEU 106 4.612 9.551 7.301 816 HD11 LEU 106 1HD1 LEU 106 3.987 7.220 7.223 817 HD12 LEU 106 2HD1 LEU 106 2.585 8.232 7.572 818 HD13 LEU 106 3HD1 LEU 106 3.354 7.315 8.867 819 HD21 LEU 106 3HD2 LEU 106 2.825 10.322 8.805 820 HD22 LEU 106 1HD2 LEU 106 4.416 10.906 9.295 821 HD23 LEU 106 2HD2 LEU 106 3.664 9.567 10.161 822 H VAL 107 HN VAL 107 6.896 5.405 8.980 823 HA VAL 107 HA VAL 107 9.557 6.239 9.917 824 HB VAL 107 HB VAL 107 8.610 4.502 11.452 825 HG11 VAL 107 1HG1 VAL 107 8.489 2.186 10.701 826 HG12 VAL 107 2HG1 VAL 107 8.844 2.698 9.050 827 HG13 VAL 107 3HG1 VAL 107 7.345 3.206 9.829 828 HG21 VAL 107 3HG2 VAL 107 11.004 4.810 11.283 829 HG22 VAL 107 1HG2 VAL 107 11.071 3.721 9.896 830 HG23 VAL 107 2HG2 VAL 107 10.629 3.099 11.486 831 H TRP 108 HN TRP 108 11.240 5.815 8.552 832 HA TRP 108 HA TRP 108 10.564 4.615 5.959 833 HB2 TRP 108 2HB TRP 108 12.930 6.336 6.744 834 HB3 TRP 108 3HB TRP 108 12.614 5.715 5.128 835 HD1 TRP 108 1HD TRP 108 10.527 6.835 3.783 836 HE1 TRP 108 1HE TRP 108 9.437 9.156 4.014 837 HE3 TRP 108 3HE TRP 108 12.326 8.121 8.393 838 HZ2 TRP 108 2HZ TRP 108 9.352 11.257 5.905 839 HZ3 TRP 108 3HZ TRP 108 11.694 10.300 9.340 840 HH2 TRP 108 2HH TRP 108 10.239 11.835 8.121 841 H CYS 109 HN CYS 109 11.055 2.526 5.837 842 HA CYS 109 HA CYS 109 13.568 1.595 7.042 843 HB2 CYS 109 2HB CYS 109 12.354 -0.474 7.795 844 HB3 CYS 109 3HB CYS 109 11.896 0.994 8.654 845 HG CYS 109 HG CYS 109 9.795 0.935 6.276 846 H SER 110 HN SER 110 14.379 -0.387 6.124 847 HA SER 110 HA SER 110 14.024 -0.462 3.277 848 HB2 SER 110 2HB SER 110 15.608 -2.305 5.086 849 HB3 SER 110 3HB SER 110 15.773 -2.170 3.335 850 HG SER 110 HG SER 110 17.344 -0.962 4.608 851 HA PRO 111 HA PRO 111 10.911 -3.390 2.484 852 HB2 PRO 111 2HB PRO 111 12.906 -5.206 1.252 853 HB3 PRO 111 3HB PRO 111 11.404 -4.556 0.597 854 HG2 PRO 111 2HG PRO 111 13.838 -3.629 -0.109 855 HG3 PRO 111 3HG PRO 111 12.383 -2.622 -0.101 856 HD2 PRO 111 2HD PRO 111 14.696 -2.595 1.709 857 HD3 PRO 111 3HD PRO 111 13.504 -1.325 1.383 858 H GLU 112 HN GLU 112 13.898 -5.199 3.298 859 HA GLU 112 HA GLU 112 12.325 -7.382 4.304 860 HB2 GLU 112 2HB GLU 112 14.484 -8.398 4.968 861 HB3 GLU 112 3HB GLU 112 14.433 -7.927 3.279 862 HG2 GLU 112 2HG GLU 112 15.732 -6.274 5.428 863 HG3 GLU 112 3HG GLU 112 16.583 -7.481 4.467 864 H GLU 113 HN GLU 113 13.829 -4.566 5.674 865 HA GLU 113 HA GLU 113 13.598 -5.271 8.395 866 HB2 GLU 113 2HB GLU 113 13.312 -2.524 7.159 867 HB3 GLU 113 3HB GLU 113 13.686 -2.875 8.838 868 HG2 GLU 113 2HG GLU 113 15.431 -3.495 6.468 869 HG3 GLU 113 3HG GLU 113 15.662 -2.185 7.623 870 H ALA 114 HN ALA 114 11.374 -3.782 6.101 871 HA ALA 114 HA ALA 114 9.334 -3.016 7.831 872 HB1 ALA 114 1HB ALA 114 9.481 -2.330 5.477 873 HB2 ALA 114 2HB ALA 114 7.888 -2.961 5.894 874 HB3 ALA 114 3HB ALA 114 9.021 -3.961 4.987 875 H LEU 115 HN LEU 115 9.976 -6.180 6.425 876 HA LEU 115 HA LEU 115 7.424 -7.234 7.210 877 HB2 LEU 115 2HB LEU 115 9.907 -8.470 6.090 878 HB3 LEU 115 3HB LEU 115 8.633 -9.483 6.740 879 HG LEU 115 HG LEU 115 8.400 -7.557 4.428 880 HD11 LEU 115 1HD1 LEU 115 9.514 -9.649 3.884 881 HD12 LEU 115 2HD1 LEU 115 7.913 -9.576 3.145 882 HD13 LEU 115 3HD1 LEU 115 8.174 -10.554 4.589 883 HD21 LEU 115 3HD2 LEU 115 6.092 -8.324 4.219 884 HD22 LEU 115 1HD2 LEU 115 6.358 -7.507 5.758 885 HD23 LEU 115 2HD2 LEU 115 6.268 -9.267 5.697 886 H GLN 116 HN GLN 116 10.329 -6.633 8.899 887 HA GLN 116 HA GLN 116 9.818 -8.550 10.989 888 HB2 GLN 116 2HB GLN 116 11.604 -6.107 10.932 889 HB3 GLN 116 3HB GLN 116 11.631 -7.373 12.150 890 HG2 GLN 116 2HG GLN 116 12.458 -8.965 10.597 891 HG3 GLN 116 3HG GLN 116 12.168 -7.880 9.237 892 HE21 GLN 116 1HE2 GLN 116 14.287 -7.919 8.548 893 HE22 GLN 116 2HE2 GLN 116 15.573 -7.158 9.420 894 H TYR 117 HN TYR 117 8.562 -5.601 10.016 895 HA TYR 117 HA TYR 117 7.810 -4.669 12.661 896 HB2 TYR 117 2HB TYR 117 7.362 -3.648 9.861 897 HB3 TYR 117 3HB TYR 117 6.448 -2.995 11.211 898 HD1 TYR 117 1HD TYR 117 9.961 -3.625 10.132 899 HD2 TYR 117 2HD TYR 117 7.308 -1.178 12.376 900 HE1 TYR 117 1HE TYR 117 11.799 -2.053 10.574 901 HE2 TYR 117 2HE TYR 117 9.137 0.402 12.833 902 HH TYR 117 HH TYR 117 12.152 0.244 11.193 903 HA PRO 118 HA PRO 118 3.884 -6.732 12.622 904 HB2 PRO 118 2HB PRO 118 2.299 -4.948 13.916 905 HB3 PRO 118 3HB PRO 118 3.513 -5.929 14.748 906 HG2 PRO 118 2HG PRO 118 3.672 -3.083 13.836 907 HG3 PRO 118 3HG PRO 118 4.222 -3.798 15.362 908 HD2 PRO 118 2HD PRO 118 5.903 -3.237 13.305 909 HD3 PRO 118 3HD PRO 118 6.178 -4.588 14.421 910 H LEU 119 HN LEU 119 3.829 -6.447 10.256 911 HA LEU 119 HA LEU 119 2.174 -4.276 9.255 912 HB2 LEU 119 2HB LEU 119 3.428 -6.636 7.852 913 HB3 LEU 119 3HB LEU 119 2.531 -5.365 7.047 914 HG LEU 119 HG LEU 119 5.172 -5.075 8.488 915 HD11 LEU 119 1HD1 LEU 119 4.421 -4.830 5.579 916 HD12 LEU 119 2HD1 LEU 119 5.331 -6.148 6.315 917 HD13 LEU 119 3HD1 LEU 119 6.018 -4.525 6.265 918 HD21 LEU 119 3HD2 LEU 119 3.507 -2.987 7.087 919 HD22 LEU 119 1HD2 LEU 119 5.139 -2.758 7.718 920 HD23 LEU 119 2HD2 LEU 119 3.805 -3.088 8.823 921 H ALA 120 HN ALA 120 0.165 -4.616 8.170 922 HA ALA 120 HA ALA 120 -1.526 -6.553 9.364 923 HB1 ALA 120 1HB ALA 120 -1.994 -4.894 6.887 924 HB2 ALA 120 2HB ALA 120 -2.346 -4.397 8.541 925 HB3 ALA 120 3HB ALA 120 -3.230 -5.742 7.818 926 HA PRO 121 HA PRO 121 -0.916 -10.172 7.006 927 HB2 PRO 121 2HB PRO 121 -3.478 -11.067 6.573 928 HB3 PRO 121 3HB PRO 121 -2.599 -11.244 8.095 929 HG2 PRO 121 2HG PRO 121 -4.644 -9.208 7.313 930 HG3 PRO 121 3HG PRO 121 -4.442 -10.065 8.852 931 HD2 PRO 121 2HD PRO 121 -3.624 -7.524 8.529 932 HD3 PRO 121 3HD PRO 121 -2.735 -8.671 9.551 933 H ALA 122 HN ALA 122 -2.550 -7.563 5.572 934 HA ALA 122 HA ALA 122 -2.686 -8.895 2.961 935 HB1 ALA 122 1HB ALA 122 -3.907 -6.904 2.214 936 HB2 ALA 122 2HB ALA 122 -3.692 -6.179 3.809 937 HB3 ALA 122 3HB ALA 122 -4.666 -7.638 3.630 938 H ASP 123 HN ASP 123 -0.806 -6.762 4.824 939 HA ASP 123 HA ASP 123 0.418 -5.342 2.624 940 HB2 ASP 123 2HB ASP 123 1.017 -5.403 5.590 941 HB3 ASP 123 3HB ASP 123 1.821 -4.345 4.436 942 H ILE 124 HN ILE 124 1.016 -8.144 4.548 943 HA ILE 124 HA ILE 124 3.823 -8.262 4.336 944 HB ILE 124 HB ILE 124 1.857 -10.522 4.752 945 HG12 ILE 124 2HG1 ILE 124 3.478 -8.918 6.746 946 HG13 ILE 124 3HG1 ILE 124 1.752 -8.724 6.452 947 HG21 ILE 124 1HG2 ILE 124 4.838 -10.417 5.218 948 HG22 ILE 124 2HG2 ILE 124 4.005 -11.363 3.983 949 HG23 ILE 124 3HG2 ILE 124 3.775 -11.743 5.691 950 HD11 ILE 124 3HD1 ILE 124 2.158 -10.030 8.454 951 HD12 ILE 124 1HD1 ILE 124 3.099 -11.195 7.521 952 HD13 ILE 124 2HD1 ILE 124 1.372 -11.012 7.219 953 HA PRO 125 HA PRO 125 3.021 -11.472 0.656 954 HB2 PRO 125 2HB PRO 125 0.669 -10.772 -0.701 955 HB3 PRO 125 3HB PRO 125 0.895 -12.187 0.332 956 HG2 PRO 125 2HG PRO 125 -0.323 -9.546 0.974 957 HG3 PRO 125 3HG PRO 125 -0.795 -11.165 1.518 958 HD2 PRO 125 2HD PRO 125 0.514 -9.501 3.140 959 HD3 PRO 125 3HD PRO 125 0.880 -11.242 3.133 960 H LEU 126 HN LEU 126 1.842 -8.141 0.552 961 HA LEU 126 HA LEU 126 2.630 -7.651 -2.137 962 HB2 LEU 126 2HB LEU 126 1.635 -6.044 0.154 963 HB3 LEU 126 3HB LEU 126 2.506 -5.181 -1.099 964 HG LEU 126 HG LEU 126 0.897 -5.759 -2.750 965 HD11 LEU 126 1HD1 LEU 126 -0.337 -7.598 -0.716 966 HD12 LEU 126 2HD1 LEU 126 0.526 -8.070 -2.183 967 HD13 LEU 126 3HD1 LEU 126 -1.013 -7.219 -2.300 968 HD21 LEU 126 3HD2 LEU 126 -1.124 -4.782 -1.883 969 HD22 LEU 126 1HD2 LEU 126 0.266 -3.952 -1.192 970 HD23 LEU 126 2HD2 LEU 126 -0.622 -5.129 -0.228 971 H LEU 127 HN LEU 127 4.138 -7.156 1.024 972 HA LEU 127 HA LEU 127 6.377 -5.742 -0.033 973 HB2 LEU 127 2HB LEU 127 5.491 -5.738 2.382 974 HB3 LEU 127 3HB LEU 127 6.334 -7.262 2.566 975 HG LEU 127 HG LEU 127 7.573 -5.232 3.407 976 HD11 LEU 127 1HD1 LEU 127 9.702 -5.968 2.688 977 HD12 LEU 127 2HD1 LEU 127 9.050 -6.613 1.184 978 HD13 LEU 127 3HD1 LEU 127 8.675 -7.404 2.711 979 HD21 LEU 127 3HD2 LEU 127 7.814 -4.668 0.460 980 HD22 LEU 127 1HD2 LEU 127 8.668 -3.821 1.751 981 HD23 LEU 127 2HD2 LEU 127 6.914 -3.700 1.631 982 H GLU 128 HN GLU 128 5.646 -9.095 0.759 983 HA GLU 128 HA GLU 128 8.160 -10.215 0.546 984 HB2 GLU 128 2HB GLU 128 5.552 -11.433 -0.393 985 HB3 GLU 128 3HB GLU 128 7.031 -12.316 -0.041 986 HG2 GLU 128 2HG GLU 128 6.882 -11.510 2.305 987 HG3 GLU 128 3HG GLU 128 5.318 -10.805 1.909 988 H ALA 129 HN ALA 129 5.844 -9.448 -2.047 989 HA ALA 129 HA ALA 129 7.630 -10.471 -4.066 990 HB1 ALA 129 1HB ALA 129 5.150 -8.806 -4.439 991 HB2 ALA 129 2HB ALA 129 5.211 -10.572 -4.407 992 HB3 ALA 129 3HB ALA 129 6.039 -9.684 -5.688 993 H PHE 130 HN PHE 130 7.238 -7.475 -2.413 994 HA PHE 130 HA PHE 130 8.282 -5.814 -4.490 995 HB2 PHE 130 2HB PHE 130 6.877 -4.910 -2.669 996 HB3 PHE 130 3HB PHE 130 8.110 -5.362 -1.497 997 HD1 PHE 130 2HD PHE 130 7.432 -3.197 -4.410 998 HD2 PHE 130 1HD PHE 130 9.927 -3.943 -1.047 999 HE1 PHE 130 2HE PHE 130 8.515 -1.017 -4.739 1000 HE2 PHE 130 1HE PHE 130 11.019 -1.760 -1.372 1001 HZ PHE 130 HZ PHE 130 10.308 -0.296 -3.220 1002 H MET 131 HN MET 131 9.542 -7.268 -1.507 1003 HA MET 131 HA MET 131 12.234 -6.554 -2.043 1004 HB2 MET 131 2HB MET 131 12.840 -8.089 -0.260 1005 HB3 MET 131 3HB MET 131 11.457 -7.124 0.225 1006 HG2 MET 131 2HG MET 131 9.973 -8.999 -0.255 1007 HG3 MET 131 3HG MET 131 11.360 -9.964 -0.756 1008 HE1 MET 131 3HE MET 131 13.269 -10.792 0.881 1009 HE2 MET 131 1HE MET 131 13.361 -10.332 2.582 1010 HE3 MET 131 2HE MET 131 13.571 -9.113 1.326 1011 H ALA 132 HN ALA 132 10.231 -9.380 -2.870 1012 HA ALA 132 HA ALA 132 12.152 -10.992 -4.023 1013 HB1 ALA 132 1HB ALA 132 9.831 -11.680 -3.755 1014 HB2 ALA 132 2HB ALA 132 10.326 -11.851 -5.439 1015 HB3 ALA 132 3HB ALA 132 9.311 -10.488 -4.951 1016 H LEU 133 HN LEU 133 10.495 -8.166 -5.356 1017 HA LEU 133 HA LEU 133 11.535 -8.404 -7.975 1018 HB2 LEU 133 2HB LEU 133 9.979 -6.478 -6.458 1019 HB3 LEU 133 3HB LEU 133 11.111 -5.693 -7.541 1020 HG LEU 133 HG LEU 133 10.160 -6.987 -9.428 1021 HD11 LEU 133 1HD1 LEU 133 8.040 -8.164 -9.124 1022 HD12 LEU 133 2HD1 LEU 133 8.150 -7.915 -7.381 1023 HD13 LEU 133 3HD1 LEU 133 9.344 -8.917 -8.208 1024 HD21 LEU 133 3HD2 LEU 133 8.078 -5.735 -9.577 1025 HD22 LEU 133 1HD2 LEU 133 9.384 -4.735 -8.943 1026 HD23 LEU 133 2HD2 LEU 133 8.159 -5.382 -7.850 1027 H ARG 134 HN ARG 134 12.610 -6.607 -5.112 1028 HA ARG 134 HA ARG 134 14.824 -5.425 -6.449 1029 HB2 ARG 134 2HB ARG 134 14.086 -5.725 -3.549 1030 HB3 ARG 134 3HB ARG 134 15.583 -4.951 -4.057 1031 HG2 ARG 134 2HG ARG 134 14.335 -3.281 -5.290 1032 HG3 ARG 134 3HG ARG 134 12.815 -4.079 -4.874 1033 HD2 ARG 134 2HD ARG 134 13.329 -2.090 -3.472 1034 HD3 ARG 134 3HD ARG 134 13.117 -3.576 -2.552 1035 HE ARG 134 HE ARG 134 15.783 -3.497 -2.906 1036 HH11 ARG 134 1HH1 ARG 134 13.576 -0.948 -1.922 1037 HH12 ARG 134 2HH1 ARG 134 14.678 -0.297 -0.741 1038 HH21 ARG 134 1HH2 ARG 134 17.231 -2.606 -1.395 1039 HH22 ARG 134 2HH2 ARG 134 16.759 -1.227 -0.460 1040 H ALA 135 HN ALA 135 14.309 -8.543 -5.123 1041 HA ALA 135 HA ALA 135 17.154 -9.043 -4.741 1042 HB1 ALA 135 1HB ALA 135 14.795 -10.874 -4.340 1043 HB2 ALA 135 2HB ALA 135 15.595 -9.927 -3.087 1044 HB3 ALA 135 3HB ALA 135 16.467 -11.226 -3.902 1045 H ALA 136 HN ALA 136 14.529 -9.969 -6.914 1046 HA ALA 136 HA ALA 136 16.333 -11.708 -8.419 1047 HB1 ALA 136 1HB ALA 136 13.394 -11.167 -8.828 1048 HB2 ALA 136 2HB ALA 136 14.073 -12.517 -7.920 1049 HB3 ALA 136 3HB ALA 136 14.354 -12.391 -9.658 1050 H ARG 137 HN ARG 137 15.270 -8.532 -8.418 1051 HA ARG 137 HA ARG 137 15.128 -6.829 -9.901 1052 HB2 ARG 137 2HB ARG 137 17.270 -6.475 -11.197 1053 HB3 ARG 137 3HB ARG 137 17.427 -6.643 -9.456 1054 HG2 ARG 137 2HG ARG 137 18.313 -8.823 -9.651 1055 HG3 ARG 137 3HG ARG 137 17.864 -8.932 -11.353 1056 HD2 ARG 137 2HD ARG 137 20.271 -8.534 -11.038 1057 HD3 ARG 137 3HD ARG 137 19.483 -7.235 -11.929 1058 HE ARG 137 HE ARG 137 19.550 -5.933 -9.846 1059 HH11 ARG 137 1HH1 ARG 137 21.604 -8.753 -10.062 1060 HH12 ARG 137 2HH1 ARG 137 22.845 -8.089 -9.039 1061 HH21 ARG 137 1HH2 ARG 137 21.150 -5.054 -8.477 1062 HH22 ARG 137 2HH2 ARG 137 22.583 -5.983 -8.122 1063 HA PRO 138 HA PRO 138 13.186 -8.928 -13.430 1064 HB2 PRO 138 2HB PRO 138 11.739 -6.342 -13.424 1065 HB3 PRO 138 3HB PRO 138 11.102 -7.991 -13.464 1066 HG2 PRO 138 2HG PRO 138 10.926 -6.533 -11.251 1067 HG3 PRO 138 3HG PRO 138 11.305 -8.265 -11.172 1068 HD2 PRO 138 2HD PRO 138 13.149 -5.914 -10.939 1069 HD3 PRO 138 3HD PRO 138 13.103 -7.404 -9.973 1070 H ALA 139 HN ALA 139 13.565 -8.687 -15.551 1071 HA ALA 139 HA ALA 139 14.526 -6.160 -16.616 1072 HB1 ALA 139 1HB ALA 139 16.559 -7.132 -17.547 1073 HB2 ALA 139 2HB ALA 139 16.188 -8.675 -16.777 1074 HB3 ALA 139 3HB ALA 139 16.559 -7.262 -15.787 1075 H ASP 140 HN ASP 140 13.093 -5.930 -18.217 1076 HA ASP 140 HA ASP 140 12.923 -8.000 -20.253 1077 HB2 ASP 140 2HB ASP 140 11.070 -8.448 -18.619 1078 HB3 ASP 140 3HB ASP 140 10.428 -6.849 -18.980 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -28.529 -14.416 5.497 2 H2 GLY 1 2H GLY 1 -27.624 -12.981 5.482 3 H3 GLY 1 3H GLY 1 -26.933 -14.431 4.936 4 HA2 GLY 1 3HA GLY 1 -29.226 -13.045 3.662 5 HA3 GLY 1 2HA GLY 1 -27.565 -12.982 3.087 6 HA PRO 2 HA PRO 2 -29.642 -16.713 1.181 7 HB2 PRO 2 2HB PRO 2 -29.640 -15.914 -1.397 8 HB3 PRO 2 3HB PRO 2 -30.960 -15.518 -0.291 9 HG2 PRO 2 2HG PRO 2 -28.685 -13.818 -1.216 10 HG3 PRO 2 3HG PRO 2 -30.382 -13.377 -0.957 11 HD2 PRO 2 2HD PRO 2 -28.353 -12.846 0.823 12 HD3 PRO 2 3HD PRO 2 -30.061 -13.003 1.277 13 H LEU 3 HN LEU 3 -26.986 -14.651 0.292 14 HA LEU 3 HA LEU 3 -25.057 -16.693 0.317 15 HB2 LEU 3 2HB LEU 3 -26.280 -17.080 -1.918 16 HB3 LEU 3 3HB LEU 3 -25.573 -15.566 -2.440 17 HG LEU 3 HG LEU 3 -23.820 -17.800 -1.453 18 HD11 LEU 3 1HD1 LEU 3 -25.213 -18.811 -3.146 19 HD12 LEU 3 2HD1 LEU 3 -24.918 -17.457 -4.238 20 HD13 LEU 3 3HD1 LEU 3 -23.596 -18.536 -3.792 21 HD21 LEU 3 3HD2 LEU 3 -22.830 -15.573 -1.781 22 HD22 LEU 3 1HD2 LEU 3 -22.179 -16.758 -2.913 23 HD23 LEU 3 2HD2 LEU 3 -23.380 -15.585 -3.457 24 H GLY 4 HN GLY 4 -23.053 -15.740 0.548 25 HA2 GLY 4 2HA GLY 4 -22.952 -12.980 1.130 26 HA3 GLY 4 3HA GLY 4 -21.560 -14.041 0.960 27 H SER 5 HN SER 5 -23.432 -11.570 -0.465 28 HA SER 5 HA SER 5 -22.807 -11.852 -3.166 29 HB2 SER 5 2HB SER 5 -23.166 -9.324 -3.233 30 HB3 SER 5 3HB SER 5 -24.496 -10.292 -2.599 31 HG SER 5 HG SER 5 -24.029 -9.642 -0.562 32 H MET 6 HN MET 6 -20.854 -12.135 -3.935 33 HA MET 6 HA MET 6 -18.569 -10.942 -2.618 34 HB2 MET 6 2HB MET 6 -18.724 -12.792 -5.001 35 HB3 MET 6 3HB MET 6 -17.243 -12.279 -4.209 36 HG2 MET 6 2HG MET 6 -17.955 -13.386 -2.154 37 HG3 MET 6 3HG MET 6 -19.443 -13.900 -2.947 38 HE1 MET 6 3HE MET 6 -18.088 -16.335 -5.703 39 HE2 MET 6 1HE MET 6 -19.524 -15.631 -4.960 40 HE3 MET 6 2HE MET 6 -18.408 -14.609 -5.865 41 H LYS 7 HN LYS 7 -19.059 -8.731 -3.130 42 HA LYS 7 HA LYS 7 -18.528 -7.947 -5.881 43 HB2 LYS 7 2HB LYS 7 -18.894 -6.290 -3.371 44 HB3 LYS 7 3HB LYS 7 -18.610 -5.620 -4.972 45 HG2 LYS 7 2HG LYS 7 -20.782 -7.347 -5.271 46 HG3 LYS 7 3HG LYS 7 -21.064 -6.486 -3.757 47 HD2 LYS 7 2HD LYS 7 -22.053 -5.251 -5.589 48 HD3 LYS 7 3HD LYS 7 -20.682 -4.348 -4.940 49 HE2 LYS 7 2HE LYS 7 -19.277 -5.131 -6.762 50 HE3 LYS 7 3HE LYS 7 -20.601 -6.113 -7.387 51 HZ1 LYS 7 3HZ LYS 7 -21.867 -4.069 -7.756 52 HZ2 LYS 7 1HZ LYS 7 -20.412 -4.071 -8.629 53 HZ3 LYS 7 2HZ LYS 7 -20.549 -3.144 -7.215 54 H MET 8 HN MET 8 -16.630 -6.678 -6.425 55 HA MET 8 HA MET 8 -14.380 -7.489 -4.755 56 HB2 MET 8 2HB MET 8 -14.584 -6.688 -7.637 57 HB3 MET 8 3HB MET 8 -13.040 -6.632 -6.795 58 HG2 MET 8 2HG MET 8 -13.277 -9.013 -6.240 59 HG3 MET 8 3HG MET 8 -14.785 -9.060 -7.150 60 HE1 MET 8 3HE MET 8 -13.583 -8.412 -10.805 61 HE2 MET 8 1HE MET 8 -14.953 -8.818 -9.769 62 HE3 MET 8 2HE MET 8 -14.194 -7.231 -9.645 63 H ILE 9 HN ILE 9 -13.287 -6.166 -3.606 64 HA ILE 9 HA ILE 9 -13.879 -3.281 -3.747 65 HB ILE 9 HB ILE 9 -12.766 -4.967 -1.502 66 HG12 ILE 9 2HG1 ILE 9 -15.463 -3.684 -1.906 67 HG13 ILE 9 3HG1 ILE 9 -15.101 -5.397 -1.718 68 HG21 ILE 9 1HG2 ILE 9 -13.544 -2.082 -1.274 69 HG22 ILE 9 2HG2 ILE 9 -12.676 -3.092 -0.105 70 HG23 ILE 9 3HG2 ILE 9 -11.893 -2.607 -1.616 71 HD11 ILE 9 3HD1 ILE 9 -14.336 -4.918 0.598 72 HD12 ILE 9 1HD1 ILE 9 -14.898 -3.258 0.383 73 HD13 ILE 9 2HD1 ILE 9 -16.050 -4.591 0.316 74 H GLU 10 HN GLU 10 -12.268 -2.129 -4.680 75 HA GLU 10 HA GLU 10 -9.645 -3.399 -4.827 76 HB2 GLU 10 2HB GLU 10 -10.762 -1.046 -6.362 77 HB3 GLU 10 3HB GLU 10 -9.117 -1.650 -6.520 78 HG2 GLU 10 2HG GLU 10 -10.336 -3.919 -7.011 79 HG3 GLU 10 3HG GLU 10 -11.674 -2.851 -7.437 80 H VAL 11 HN VAL 11 -8.078 -2.788 -3.546 81 HA VAL 11 HA VAL 11 -8.199 -0.095 -2.379 82 HB VAL 11 HB VAL 11 -7.327 -2.640 -0.985 83 HG11 VAL 11 1HG1 VAL 11 -6.925 -1.213 0.974 84 HG12 VAL 11 2HG1 VAL 11 -5.867 -0.796 -0.373 85 HG13 VAL 11 3HG1 VAL 11 -7.265 0.213 -0.006 86 HG21 VAL 11 3HG2 VAL 11 -9.150 -2.138 0.577 87 HG22 VAL 11 1HG2 VAL 11 -9.615 -0.758 -0.420 88 HG23 VAL 11 2HG2 VAL 11 -9.744 -2.395 -1.064 89 H VAL 12 HN VAL 12 -6.448 1.049 -2.817 90 HA VAL 12 HA VAL 12 -4.169 -0.374 -3.974 91 HB VAL 12 HB VAL 12 -3.456 2.015 -4.637 92 HG11 VAL 12 1HG1 VAL 12 -5.874 0.683 -5.852 93 HG12 VAL 12 2HG1 VAL 12 -4.918 1.940 -6.638 94 HG13 VAL 12 3HG1 VAL 12 -4.183 0.384 -6.253 95 HG21 VAL 12 3HG2 VAL 12 -5.345 3.586 -4.911 96 HG22 VAL 12 1HG2 VAL 12 -6.370 2.479 -3.995 97 HG23 VAL 12 2HG2 VAL 12 -4.985 3.245 -3.220 98 H ALA 13 HN ALA 13 -2.269 -0.447 -3.026 99 HA ALA 13 HA ALA 13 -1.908 1.055 -0.531 100 HB1 ALA 13 1HB ALA 13 -1.949 -1.396 -0.240 101 HB2 ALA 13 2HB ALA 13 -0.618 -1.543 -1.393 102 HB3 ALA 13 3HB ALA 13 -0.366 -0.716 0.146 103 H ALA 14 HN ALA 14 -0.274 2.480 -0.473 104 HA ALA 14 HA ALA 14 1.316 2.719 -2.923 105 HB1 ALA 14 1HB ALA 14 0.073 4.701 -2.425 106 HB2 ALA 14 2HB ALA 14 0.663 4.716 -0.763 107 HB3 ALA 14 3HB ALA 14 1.770 5.032 -2.097 108 H ILE 15 HN ILE 15 3.255 1.873 -2.834 109 HA ILE 15 HA ILE 15 4.633 1.655 -0.281 110 HB ILE 15 HB ILE 15 5.323 0.648 -3.052 111 HG12 ILE 15 2HG1 ILE 15 4.251 -0.643 -0.551 112 HG13 ILE 15 3HG1 ILE 15 3.595 -0.700 -2.181 113 HG21 ILE 15 1HG2 ILE 15 6.831 0.098 -0.512 114 HG22 ILE 15 2HG2 ILE 15 7.244 -0.441 -2.135 115 HG23 ILE 15 3HG2 ILE 15 7.336 1.273 -1.725 116 HD11 ILE 15 3HD1 ILE 15 6.118 -2.041 -1.237 117 HD12 ILE 15 1HD1 ILE 15 4.559 -2.830 -1.540 118 HD13 ILE 15 2HD1 ILE 15 5.457 -2.116 -2.881 119 H ILE 16 HN ILE 16 5.462 3.616 0.292 120 HA ILE 16 HA ILE 16 6.350 5.453 -1.778 121 HB ILE 16 HB ILE 16 6.579 5.939 1.180 122 HG12 ILE 16 2HG1 ILE 16 4.231 5.090 0.479 123 HG13 ILE 16 3HG1 ILE 16 4.347 6.556 1.444 124 HG21 ILE 16 1HG2 ILE 16 6.153 8.282 0.487 125 HG22 ILE 16 2HG2 ILE 16 7.598 7.582 -0.249 126 HG23 ILE 16 3HG2 ILE 16 6.114 7.739 -1.190 127 HD11 ILE 16 3HD1 ILE 16 3.947 6.439 -1.533 128 HD12 ILE 16 1HD1 ILE 16 2.707 6.771 -0.320 129 HD13 ILE 16 2HD1 ILE 16 4.042 7.898 -0.545 130 H GLU 17 HN GLU 17 8.339 4.852 -2.530 131 HA GLU 17 HA GLU 17 10.264 3.904 -0.534 132 HB2 GLU 17 2HB GLU 17 9.732 2.406 -2.478 133 HB3 GLU 17 3HB GLU 17 10.464 3.614 -3.527 134 HG2 GLU 17 2HG GLU 17 12.572 3.377 -2.242 135 HG3 GLU 17 3HG GLU 17 11.822 2.062 -1.338 136 H ARG 18 HN ARG 18 11.583 5.349 0.166 137 HA ARG 18 HA ARG 18 12.630 7.351 -1.711 138 HB2 ARG 18 2HB ARG 18 10.917 8.297 -0.111 139 HB3 ARG 18 3HB ARG 18 12.013 7.886 1.201 140 HG2 ARG 18 2HG ARG 18 12.209 10.225 0.596 141 HG3 ARG 18 3HG ARG 18 13.708 9.359 0.253 142 HD2 ARG 18 2HD ARG 18 13.026 9.167 -2.110 143 HD3 ARG 18 3HD ARG 18 11.573 10.096 -1.747 144 HE ARG 18 HE ARG 18 13.676 11.654 -0.889 145 HH11 ARG 18 2HH1 ARG 18 12.732 10.188 -3.929 146 HH12 ARG 18 1HH1 ARG 18 13.416 11.450 -4.903 147 HH21 ARG 18 2HH2 ARG 18 14.562 13.334 -2.157 148 HH22 ARG 18 1HH2 ARG 18 14.450 13.252 -3.896 149 H ASP 19 HN ASP 19 14.748 7.345 -1.827 150 HA ASP 19 HA ASP 19 16.950 7.071 -1.355 151 HB2 ASP 19 2HB ASP 19 15.973 6.762 1.487 152 HB3 ASP 19 3HB ASP 19 17.672 6.696 1.039 153 H GLY 20 HN GLY 20 14.708 4.693 -1.251 154 HA2 GLY 20 2HA GLY 20 15.366 2.477 -1.950 155 HA3 GLY 20 3HA GLY 20 16.762 2.621 -0.887 156 H LYS 21 HN LYS 21 14.286 4.045 0.704 157 HA LYS 21 HA LYS 21 13.671 1.567 2.174 158 HB2 LYS 21 2HB LYS 21 13.447 4.355 3.289 159 HB3 LYS 21 3HB LYS 21 13.492 2.836 4.169 160 HG2 LYS 21 2HG LYS 21 15.865 2.612 3.161 161 HG3 LYS 21 3HG LYS 21 15.719 4.344 2.888 162 HD2 LYS 21 2HD LYS 21 16.252 4.726 5.008 163 HD3 LYS 21 3HD LYS 21 14.827 3.823 5.517 164 HE2 LYS 21 2HE LYS 21 16.025 1.799 5.655 165 HE3 LYS 21 3HE LYS 21 17.410 2.471 4.798 166 HZ1 LYS 21 3HZ LYS 21 17.655 2.248 7.277 167 HZ2 LYS 21 1HZ LYS 21 16.505 3.482 7.439 168 HZ3 LYS 21 2HZ LYS 21 17.978 3.793 6.656 169 H ILE 22 HN ILE 22 11.539 1.415 3.116 170 HA ILE 22 HA ILE 22 9.533 2.634 1.344 171 HB ILE 22 HB ILE 22 9.198 0.187 3.087 172 HG12 ILE 22 2HG1 ILE 22 9.962 0.338 0.161 173 HG13 ILE 22 3HG1 ILE 22 11.023 -0.162 1.474 174 HG21 ILE 22 1HG2 ILE 22 7.077 1.019 2.494 175 HG22 ILE 22 2HG2 ILE 22 7.597 1.393 0.851 176 HG23 ILE 22 3HG2 ILE 22 7.396 -0.290 1.346 177 HD11 ILE 22 3HD1 ILE 22 10.206 -2.082 0.283 178 HD12 ILE 22 1HD1 ILE 22 9.541 -2.062 1.917 179 HD13 ILE 22 2HD1 ILE 22 8.536 -1.575 0.548 180 H LEU 23 HN LEU 23 7.653 3.520 2.201 181 HA LEU 23 HA LEU 23 7.955 4.612 4.868 182 HB2 LEU 23 2HB LEU 23 7.390 6.072 2.990 183 HB3 LEU 23 3HB LEU 23 5.923 5.156 2.708 184 HG LEU 23 HG LEU 23 5.076 5.881 4.927 185 HD11 LEU 23 1HD1 LEU 23 6.220 7.679 6.111 186 HD12 LEU 23 2HD1 LEU 23 7.229 6.236 6.020 187 HD13 LEU 23 3HD1 LEU 23 7.550 7.605 4.955 188 HD21 LEU 23 3HD2 LEU 23 4.555 7.100 2.816 189 HD22 LEU 23 1HD2 LEU 23 4.525 8.126 4.255 190 HD23 LEU 23 2HD2 LEU 23 5.906 8.181 3.159 191 H LEU 24 HN LEU 24 7.092 3.718 6.549 192 HA LEU 24 HA LEU 24 4.607 2.135 6.271 193 HB2 LEU 24 2HB LEU 24 6.863 1.849 8.251 194 HB3 LEU 24 3HB LEU 24 5.301 1.098 8.479 195 HG LEU 24 HG LEU 24 5.653 -0.145 6.336 196 HD11 LEU 24 1HD1 LEU 24 8.450 0.927 6.542 197 HD12 LEU 24 2HD1 LEU 24 7.897 -0.324 5.428 198 HD13 LEU 24 3HD1 LEU 24 7.275 1.321 5.287 199 HD21 LEU 24 3HD2 LEU 24 7.209 -1.760 7.291 200 HD22 LEU 24 1HD2 LEU 24 7.714 -0.565 8.487 201 HD23 LEU 24 2HD2 LEU 24 6.061 -1.179 8.499 202 H ALA 25 HN ALA 25 2.895 2.632 7.515 203 HA ALA 25 HA ALA 25 3.199 4.958 9.302 204 HB1 ALA 25 1HB ALA 25 1.953 5.443 7.239 205 HB2 ALA 25 2HB ALA 25 0.778 4.203 7.680 206 HB3 ALA 25 3HB ALA 25 0.967 5.641 8.689 207 H GLN 26 HN GLN 26 2.862 4.529 11.357 208 HA GLN 26 HA GLN 26 1.920 2.021 12.247 209 HB2 GLN 26 2HB GLN 26 3.548 3.298 13.523 210 HB3 GLN 26 3HB GLN 26 2.375 4.580 13.786 211 HG2 GLN 26 2HG GLN 26 1.054 3.196 15.189 212 HG3 GLN 26 3HG GLN 26 1.986 1.765 14.756 213 HE21 GLN 26 1HE2 GLN 26 1.429 3.019 17.363 214 HE22 GLN 26 2HE2 GLN 26 2.974 3.272 18.086 215 H ARG 27 HN ARG 27 -0.020 1.313 12.345 216 HA ARG 27 HA ARG 27 -2.205 2.569 13.597 217 HB2 ARG 27 2HB ARG 27 -2.254 3.936 11.555 218 HB3 ARG 27 3HB ARG 27 -2.274 2.481 10.570 219 HG2 ARG 27 2HG ARG 27 -4.468 1.899 11.600 220 HG3 ARG 27 3HG ARG 27 -4.449 3.476 12.399 221 HD2 ARG 27 2HD ARG 27 -4.315 4.579 10.239 222 HD3 ARG 27 3HD ARG 27 -4.271 3.022 9.423 223 HE ARG 27 HE ARG 27 -6.601 4.089 10.885 224 HH11 ARG 27 2HH1 ARG 27 -5.212 1.926 8.496 225 HH12 ARG 27 1HH1 ARG 27 -6.725 1.682 7.673 226 HH21 ARG 27 2HH2 ARG 27 -8.581 3.759 9.820 227 HH22 ARG 27 1HH2 ARG 27 -8.647 2.739 8.410 228 HA PRO 28 HA PRO 28 -3.012 -1.823 13.234 229 HB2 PRO 28 2HB PRO 28 -4.893 -1.828 15.291 230 HB3 PRO 28 3HB PRO 28 -3.157 -2.070 15.475 231 HG2 PRO 28 2HG PRO 28 -4.717 0.134 16.381 232 HG3 PRO 28 3HG PRO 28 -2.965 -0.076 16.503 233 HD2 PRO 28 2HD PRO 28 -4.545 1.520 14.580 234 HD3 PRO 28 3HD PRO 28 -2.850 1.702 15.075 235 H ALA 29 HN ALA 29 -6.023 -0.497 14.447 236 HA ALA 29 HA ALA 29 -7.559 -0.084 12.231 237 HB1 ALA 29 1HB ALA 29 -7.682 -3.006 13.010 238 HB2 ALA 29 2HB ALA 29 -8.796 -2.194 11.909 239 HB3 ALA 29 3HB ALA 29 -7.094 -2.361 11.478 240 H GLN 30 HN GLN 30 -8.452 -2.543 14.586 241 HA GLN 30 HA GLN 30 -10.148 -0.560 15.946 242 HB2 GLN 30 2HB GLN 30 -10.469 -3.571 15.861 243 HB3 GLN 30 3HB GLN 30 -11.576 -2.431 16.613 244 HG2 GLN 30 2HG GLN 30 -12.052 -1.458 14.418 245 HG3 GLN 30 3HG GLN 30 -10.956 -2.621 13.674 246 HE21 GLN 30 1HE2 GLN 30 -12.568 -3.514 12.406 247 HE22 GLN 30 2HE2 GLN 30 -13.819 -4.513 13.069 248 H SER 31 HN SER 31 -7.484 -2.620 16.209 249 HA SER 31 HA SER 31 -7.546 -3.169 18.989 250 HB2 SER 31 2HB SER 31 -5.155 -3.082 17.139 251 HB3 SER 31 3HB SER 31 -5.281 -3.956 18.665 252 HG SER 31 HG SER 31 -7.152 -5.045 17.562 253 H ASP 32 HN ASP 32 -6.984 -1.913 20.650 254 HA ASP 32 HA ASP 32 -5.926 0.749 20.080 255 HB2 ASP 32 2HB ASP 32 -6.992 -0.453 22.645 256 HB3 ASP 32 3HB ASP 32 -6.434 1.208 22.472 257 H GLN 33 HN GLN 33 -4.609 -2.101 20.395 258 HA GLN 33 HA GLN 33 -2.617 -1.670 22.394 259 HB2 GLN 33 2HB GLN 33 -2.444 -3.658 20.140 260 HB3 GLN 33 3HB GLN 33 -1.725 -3.768 21.742 261 HG2 GLN 33 2HG GLN 33 -4.079 -3.851 22.654 262 HG3 GLN 33 3HG GLN 33 -4.615 -4.055 20.988 263 HE21 GLN 33 1HE2 GLN 33 -2.966 -5.506 23.664 264 HE22 GLN 33 2HE2 GLN 33 -2.902 -7.115 23.022 265 H ALA 34 HN ALA 34 -2.983 -0.954 19.078 266 HA ALA 34 HA ALA 34 -1.736 0.132 17.551 267 HB1 ALA 34 1HB ALA 34 -0.321 1.938 18.347 268 HB2 ALA 34 2HB ALA 34 -1.822 1.871 19.271 269 HB3 ALA 34 3HB ALA 34 -0.329 1.247 19.970 270 H GLY 35 HN GLY 35 0.975 0.914 17.558 271 HA2 GLY 35 2HA GLY 35 3.169 0.135 17.622 272 HA3 GLY 35 3HA GLY 35 2.580 -1.419 18.187 273 H LEU 36 HN LEU 36 0.626 -1.641 15.988 274 HA LEU 36 HA LEU 36 2.311 -2.880 14.084 275 HB2 LEU 36 2HB LEU 36 -0.619 -2.300 13.733 276 HB3 LEU 36 3HB LEU 36 0.307 -3.650 13.102 277 HG LEU 36 HG LEU 36 -0.271 -3.236 16.037 278 HD11 LEU 36 1HD1 LEU 36 -2.351 -3.586 14.859 279 HD12 LEU 36 2HD1 LEU 36 -1.676 -4.993 14.037 280 HD13 LEU 36 3HD1 LEU 36 -1.924 -5.026 15.782 281 HD21 LEU 36 3HD2 LEU 36 1.720 -4.580 15.556 282 HD22 LEU 36 1HD2 LEU 36 0.430 -5.554 16.260 283 HD23 LEU 36 2HD2 LEU 36 0.756 -5.639 14.527 284 H TRP 37 HN TRP 37 2.581 -2.403 11.899 285 HA TRP 37 HA TRP 37 2.073 0.410 11.156 286 HB2 TRP 37 2HB TRP 37 4.273 -1.427 10.173 287 HB3 TRP 37 3HB TRP 37 4.059 0.264 9.730 288 HD1 TRP 37 1HD TRP 37 5.093 -1.925 12.717 289 HE1 TRP 37 1HE TRP 37 6.491 -0.491 14.329 290 HE3 TRP 37 3HE TRP 37 4.547 2.618 10.443 291 HZ2 TRP 37 2HZ TRP 37 7.266 2.213 14.598 292 HZ3 TRP 37 3HZ TRP 37 5.650 4.577 11.438 293 HH2 TRP 37 2HH TRP 37 6.981 4.378 13.474 294 H GLU 38 HN GLU 38 1.308 0.844 9.086 295 HA GLU 38 HA GLU 38 0.704 -1.447 7.346 296 HB2 GLU 38 2HB GLU 38 -1.484 -0.422 6.789 297 HB3 GLU 38 3HB GLU 38 -1.387 -0.908 8.475 298 HG2 GLU 38 2HG GLU 38 -1.208 1.300 9.221 299 HG3 GLU 38 3HG GLU 38 -0.796 1.898 7.618 300 H PHE 39 HN PHE 39 0.258 -0.747 5.086 301 HA PHE 39 HA PHE 39 2.001 1.474 4.374 302 HB2 PHE 39 2HB PHE 39 0.660 -0.686 2.760 303 HB3 PHE 39 3HB PHE 39 1.475 0.674 1.998 304 HD1 PHE 39 1HD PHE 39 2.313 -1.493 4.897 305 HD2 PHE 39 2HD PHE 39 3.428 0.000 1.082 306 HE1 PHE 39 1HE PHE 39 4.438 -2.708 5.049 307 HE2 PHE 39 2HE PHE 39 5.550 -1.196 1.228 308 HZ PHE 39 HZ PHE 39 6.076 -2.561 3.213 309 H ALA 40 HN ALA 40 1.328 3.321 3.315 310 HA ALA 40 HA ALA 40 -1.314 4.190 3.933 311 HB1 ALA 40 1HB ALA 40 0.628 5.702 3.958 312 HB2 ALA 40 2HB ALA 40 0.761 5.537 2.208 313 HB3 ALA 40 3HB ALA 40 -0.667 6.292 2.917 314 H GLY 41 HN GLY 41 -2.951 4.876 2.444 315 HA2 GLY 41 2HA GLY 41 -3.039 4.747 -0.253 316 HA3 GLY 41 3HA GLY 41 -3.198 3.061 0.221 317 H GLY 42 HN GLY 42 -5.283 2.765 -0.429 318 HA2 GLY 42 2HA GLY 42 -7.391 3.270 1.247 319 HA3 GLY 42 3HA GLY 42 -7.358 4.660 0.174 320 H LYS 43 HN LYS 43 -9.599 3.369 0.021 321 HA LYS 43 HA LYS 43 -9.552 1.191 -1.850 322 HB2 LYS 43 2HB LYS 43 -11.339 1.362 -0.172 323 HB3 LYS 43 3HB LYS 43 -11.869 2.885 -0.877 324 HG2 LYS 43 2HG LYS 43 -12.215 1.566 -3.031 325 HG3 LYS 43 3HG LYS 43 -12.054 0.124 -2.029 326 HD2 LYS 43 2HD LYS 43 -13.950 0.752 -0.711 327 HD3 LYS 43 3HD LYS 43 -14.036 2.329 -1.502 328 HE2 LYS 43 2HE LYS 43 -14.450 1.143 -3.656 329 HE3 LYS 43 3HE LYS 43 -14.525 -0.371 -2.755 330 HZ1 LYS 43 3HZ LYS 43 -16.719 0.579 -3.201 331 HZ2 LYS 43 1HZ LYS 43 -16.306 1.965 -2.312 332 HZ3 LYS 43 2HZ LYS 43 -16.411 0.457 -1.534 333 H VAL 44 HN VAL 44 -10.441 1.219 -3.964 334 HA VAL 44 HA VAL 44 -10.240 3.834 -5.307 335 HB VAL 44 HB VAL 44 -10.002 1.085 -6.545 336 HG11 VAL 44 1HG1 VAL 44 -10.830 2.745 -8.100 337 HG12 VAL 44 2HG1 VAL 44 -9.504 3.830 -7.686 338 HG13 VAL 44 3HG1 VAL 44 -9.173 2.306 -8.508 339 HG21 VAL 44 3HG2 VAL 44 -7.618 1.570 -6.771 340 HG22 VAL 44 1HG2 VAL 44 -7.840 3.070 -5.872 341 HG23 VAL 44 2HG2 VAL 44 -8.117 1.518 -5.080 342 H GLU 45 HN GLU 45 -12.132 4.655 -6.008 343 HA GLU 45 HA GLU 45 -14.434 2.915 -6.384 344 HB2 GLU 45 2HB GLU 45 -14.514 5.317 -5.454 345 HB3 GLU 45 3HB GLU 45 -14.218 5.848 -7.102 346 HG2 GLU 45 2HG GLU 45 -16.550 5.978 -6.708 347 HG3 GLU 45 3HG GLU 45 -16.269 4.616 -7.792 348 HA PRO 46 HA PRO 46 -13.103 1.798 -10.456 349 HB2 PRO 46 2HB PRO 46 -15.673 1.485 -11.547 350 HB3 PRO 46 3HB PRO 46 -14.696 0.239 -10.769 351 HG2 PRO 46 2HG PRO 46 -16.908 1.883 -9.657 352 HG3 PRO 46 3HG PRO 46 -16.455 0.207 -9.294 353 HD2 PRO 46 2HD PRO 46 -15.916 2.211 -7.593 354 HD3 PRO 46 3HD PRO 46 -14.797 0.849 -7.808 355 H ASP 47 HN ASP 47 -15.122 4.533 -9.880 356 HA ASP 47 HA ASP 47 -15.160 5.439 -12.601 357 HB2 ASP 47 2HB ASP 47 -15.790 6.975 -10.077 358 HB3 ASP 47 3HB ASP 47 -16.167 7.486 -11.721 359 H GLU 48 HN GLU 48 -13.034 5.670 -9.976 360 HA GLU 48 HA GLU 48 -11.421 7.697 -11.386 361 HB2 GLU 48 2HB GLU 48 -10.292 8.162 -9.281 362 HB3 GLU 48 3HB GLU 48 -12.030 8.307 -9.054 363 HG2 GLU 48 2HG GLU 48 -11.975 5.963 -8.131 364 HG3 GLU 48 3HG GLU 48 -10.216 6.106 -8.132 365 H SER 49 HN SER 49 -8.989 7.303 -11.184 366 HA SER 49 HA SER 49 -8.576 4.577 -12.053 367 HB2 SER 49 2HB SER 49 -6.679 6.933 -12.006 368 HB3 SER 49 3HB SER 49 -6.426 5.402 -12.839 369 HG SER 49 HG SER 49 -8.359 7.401 -13.400 370 H GLN 50 HN GLN 50 -6.822 3.285 -11.218 371 HA GLN 50 HA GLN 50 -6.838 3.123 -8.420 372 HB2 GLN 50 2HB GLN 50 -4.972 1.860 -10.429 373 HB3 GLN 50 3HB GLN 50 -5.064 1.408 -8.732 374 HG2 GLN 50 2HG GLN 50 -7.392 0.747 -9.017 375 HG3 GLN 50 3HG GLN 50 -7.322 1.212 -10.714 376 HE21 GLN 50 1HE2 GLN 50 -7.861 -0.874 -11.377 377 HE22 GLN 50 2HE2 GLN 50 -6.737 -2.183 -11.289 378 H ARG 51 HN ARG 51 -4.404 4.409 -10.662 379 HA ARG 51 HA ARG 51 -2.523 5.097 -8.634 380 HB2 ARG 51 2HB ARG 51 -2.884 6.408 -11.331 381 HB3 ARG 51 3HB ARG 51 -1.464 6.488 -10.310 382 HG2 ARG 51 2HG ARG 51 -1.130 4.070 -10.608 383 HG3 ARG 51 3HG ARG 51 -2.506 4.046 -11.714 384 HD2 ARG 51 2HD ARG 51 -1.369 5.679 -13.147 385 HD3 ARG 51 3HD ARG 51 0.007 5.674 -12.051 386 HE ARG 51 HE ARG 51 -0.672 3.084 -13.120 387 HH11 ARG 51 2HH1 ARG 51 1.188 6.015 -13.534 388 HH12 ARG 51 1HH1 ARG 51 2.338 5.298 -14.623 389 HH21 ARG 51 2HH2 ARG 51 0.858 2.120 -14.558 390 HH22 ARG 51 1HH2 ARG 51 2.148 3.088 -15.190 391 H GLN 52 HN GLN 52 -5.358 6.632 -9.951 392 HA GLN 52 HA GLN 52 -4.693 9.282 -9.097 393 HB2 GLN 52 2HB GLN 52 -6.222 8.797 -11.007 394 HB3 GLN 52 3HB GLN 52 -7.385 8.137 -9.866 395 HG2 GLN 52 2HG GLN 52 -8.073 10.338 -10.383 396 HG3 GLN 52 3HG GLN 52 -7.425 10.367 -8.745 397 HE21 GLN 52 1HE2 GLN 52 -6.957 11.364 -12.031 398 HE22 GLN 52 2HE2 GLN 52 -5.672 12.482 -11.727 399 H ALA 53 HN ALA 53 -6.722 6.644 -7.938 400 HA ALA 53 HA ALA 53 -7.815 7.898 -5.710 401 HB1 ALA 53 1HB ALA 53 -7.088 4.984 -6.010 402 HB2 ALA 53 2HB ALA 53 -8.228 5.658 -4.846 403 HB3 ALA 53 3HB ALA 53 -8.585 5.734 -6.572 404 H LEU 54 HN LEU 54 -4.778 6.051 -6.034 405 HA LEU 54 HA LEU 54 -3.890 6.340 -3.399 406 HB2 LEU 54 2HB LEU 54 -2.493 5.974 -6.015 407 HB3 LEU 54 3HB LEU 54 -1.551 6.333 -4.580 408 HG LEU 54 HG LEU 54 -3.371 3.960 -4.955 409 HD11 LEU 54 1HD1 LEU 54 -0.368 4.191 -4.823 410 HD12 LEU 54 2HD1 LEU 54 -1.276 2.681 -4.858 411 HD13 LEU 54 3HD1 LEU 54 -1.325 3.770 -6.243 412 HD21 LEU 54 3HD2 LEU 54 -2.266 3.249 -2.790 413 HD22 LEU 54 1HD2 LEU 54 -1.743 4.924 -2.624 414 HD23 LEU 54 2HD2 LEU 54 -3.459 4.543 -2.668 415 H VAL 55 HN VAL 55 -3.557 8.446 -6.185 416 HA VAL 55 HA VAL 55 -1.754 10.277 -5.035 417 HB VAL 55 HB VAL 55 -3.706 10.538 -7.313 418 HG11 VAL 55 1HG1 VAL 55 -1.749 12.630 -6.358 419 HG12 VAL 55 2HG1 VAL 55 -2.677 12.695 -7.858 420 HG13 VAL 55 3HG1 VAL 55 -3.509 12.750 -6.303 421 HG21 VAL 55 3HG2 VAL 55 -0.692 10.479 -7.191 422 HG22 VAL 55 1HG2 VAL 55 -1.736 9.136 -7.655 423 HG23 VAL 55 2HG2 VAL 55 -1.669 10.586 -8.656 424 H ARG 56 HN ARG 56 -5.321 10.226 -5.078 425 HA ARG 56 HA ARG 56 -5.454 12.732 -3.702 426 HB2 ARG 56 2HB ARG 56 -7.894 12.213 -3.467 427 HB3 ARG 56 3HB ARG 56 -7.295 12.255 -5.113 428 HG2 ARG 56 2HG ARG 56 -8.442 10.357 -5.354 429 HG3 ARG 56 3HG ARG 56 -7.075 9.606 -4.529 430 HD2 ARG 56 2HD ARG 56 -8.203 9.459 -2.518 431 HD3 ARG 56 3HD ARG 56 -9.325 10.754 -2.931 432 HE ARG 56 HE ARG 56 -9.821 8.697 -4.728 433 HH11 ARG 56 2HH1 ARG 56 -9.877 9.050 -1.237 434 HH12 ARG 56 1HH1 ARG 56 -11.252 8.006 -1.036 435 HH21 ARG 56 2HH2 ARG 56 -11.632 7.314 -4.444 436 HH22 ARG 56 1HH2 ARG 56 -12.241 7.024 -2.834 437 H GLU 57 HN GLU 57 -5.821 9.331 -2.723 438 HA GLU 57 HA GLU 57 -6.479 9.820 -0.057 439 HB2 GLU 57 2HB GLU 57 -5.049 7.502 -1.339 440 HB3 GLU 57 3HB GLU 57 -5.447 7.535 0.373 441 HG2 GLU 57 2HG GLU 57 -7.415 7.722 -1.898 442 HG3 GLU 57 3HG GLU 57 -7.103 6.296 -0.909 443 H LEU 58 HN LEU 58 -3.250 9.486 -1.532 444 HA LEU 58 HA LEU 58 -1.888 9.703 0.957 445 HB2 LEU 58 2HB LEU 58 -0.771 10.468 -1.725 446 HB3 LEU 58 3HB LEU 58 0.130 10.050 -0.288 447 HG LEU 58 HG LEU 58 -1.510 8.197 -1.990 448 HD11 LEU 58 1HD1 LEU 58 1.436 8.328 -1.401 449 HD12 LEU 58 2HD1 LEU 58 0.636 7.075 -2.349 450 HD13 LEU 58 3HD1 LEU 58 0.650 8.741 -2.925 451 HD21 LEU 58 3HD2 LEU 58 -1.809 7.604 0.344 452 HD22 LEU 58 1HD2 LEU 58 -0.796 6.414 -0.475 453 HD23 LEU 58 2HD2 LEU 58 -0.061 7.617 0.584 454 H ARG 59 HN ARG 59 -3.027 12.067 -1.402 455 HA ARG 59 HA ARG 59 -1.686 14.289 -0.354 456 HB2 ARG 59 2HB ARG 59 -2.758 14.477 -2.483 457 HB3 ARG 59 3HB ARG 59 -4.324 14.048 -1.804 458 HG2 ARG 59 2HG ARG 59 -4.510 16.117 -0.682 459 HG3 ARG 59 3HG ARG 59 -2.821 16.526 -1.007 460 HD2 ARG 59 2HD ARG 59 -3.355 16.573 -3.427 461 HD3 ARG 59 3HD ARG 59 -5.051 16.294 -3.022 462 HE ARG 59 HE ARG 59 -4.649 18.444 -1.593 463 HH11 ARG 59 2HH1 ARG 59 -3.436 17.767 -4.799 464 HH12 ARG 59 1HH1 ARG 59 -3.367 19.437 -5.277 465 HH21 ARG 59 2HH2 ARG 59 -4.606 20.643 -2.215 466 HH22 ARG 59 1HH2 ARG 59 -4.087 21.069 -3.821 467 H GLU 60 HN GLU 60 -4.565 12.637 0.649 468 HA GLU 60 HA GLU 60 -5.276 14.733 2.506 469 HB2 GLU 60 2HB GLU 60 -6.576 12.063 1.962 470 HB3 GLU 60 3HB GLU 60 -7.273 13.391 2.888 471 HG2 GLU 60 2HG GLU 60 -6.381 13.819 0.077 472 HG3 GLU 60 3HG GLU 60 -7.936 13.079 0.400 473 H GLU 61 HN GLU 61 -4.033 11.422 2.612 474 HA GLU 61 HA GLU 61 -4.027 11.445 5.509 475 HB2 GLU 61 2HB GLU 61 -3.172 9.397 3.476 476 HB3 GLU 61 3HB GLU 61 -2.783 9.229 5.191 477 HG2 GLU 61 2HG GLU 61 -5.562 9.568 4.153 478 HG3 GLU 61 3HG GLU 61 -4.793 8.013 4.502 479 H LEU 62 HN LEU 62 -1.573 11.378 2.916 480 HA LEU 62 HA LEU 62 0.476 11.712 4.969 481 HB2 LEU 62 2HB LEU 62 0.811 11.301 2.002 482 HB3 LEU 62 3HB LEU 62 2.063 11.194 3.223 483 HG LEU 62 HG LEU 62 -0.280 9.307 2.919 484 HD11 LEU 62 1HD1 LEU 62 1.441 7.676 2.310 485 HD12 LEU 62 2HD1 LEU 62 1.407 9.035 1.185 486 HD13 LEU 62 3HD1 LEU 62 2.671 8.936 2.411 487 HD21 LEU 62 3HD2 LEU 62 2.027 9.254 4.867 488 HD22 LEU 62 1HD2 LEU 62 0.342 9.593 5.262 489 HD23 LEU 62 2HD2 LEU 62 0.806 7.996 4.676 490 H GLY 63 HN GLY 63 -1.161 13.498 2.453 491 HA2 GLY 63 2HA GLY 63 -1.284 15.826 2.376 492 HA3 GLY 63 3HA GLY 63 0.037 15.917 3.536 493 H ILE 64 HN ILE 64 0.275 13.874 0.741 494 HA ILE 64 HA ILE 64 2.198 15.771 -0.421 495 HB ILE 64 HB ILE 64 3.617 13.877 -1.108 496 HG12 ILE 64 2HG1 ILE 64 1.803 12.217 0.671 497 HG13 ILE 64 3HG1 ILE 64 1.934 12.086 -1.076 498 HG21 ILE 64 1HG2 ILE 64 4.607 13.445 1.080 499 HG22 ILE 64 2HG2 ILE 64 4.160 15.140 0.889 500 HG23 ILE 64 3HG2 ILE 64 3.154 14.068 1.861 501 HD11 ILE 64 3HD1 ILE 64 3.177 10.313 -0.000 502 HD12 ILE 64 1HD1 ILE 64 4.284 11.406 -0.831 503 HD13 ILE 64 2HD1 ILE 64 4.113 11.491 0.923 504 H GLU 65 HN GLU 65 2.363 15.877 -2.588 505 HA GLU 65 HA GLU 65 0.223 14.679 -4.160 506 HB2 GLU 65 2HB GLU 65 2.358 16.718 -4.833 507 HB3 GLU 65 3HB GLU 65 1.150 16.149 -5.976 508 HG2 GLU 65 2HG GLU 65 -0.617 17.005 -4.506 509 HG3 GLU 65 3HG GLU 65 0.615 17.612 -3.400 510 H ALA 66 HN ALA 66 0.680 12.597 -4.606 511 HA ALA 66 HA ALA 66 3.444 11.797 -4.976 512 HB1 ALA 66 1HB ALA 66 2.630 9.528 -4.771 513 HB2 ALA 66 2HB ALA 66 1.993 10.526 -3.464 514 HB3 ALA 66 3HB ALA 66 0.961 10.098 -4.830 515 H THR 67 HN THR 67 4.223 10.657 -6.710 516 HA THR 67 HA THR 67 2.620 10.752 -9.180 517 HB THR 67 HB THR 67 5.638 10.572 -8.943 518 HG1 THR 67 1HG THR 67 5.647 12.687 -8.825 519 HG21 THR 67 3HG2 THR 67 4.725 9.625 -11.012 520 HG22 THR 67 1HG2 THR 67 5.611 11.116 -11.333 521 HG23 THR 67 2HG2 THR 67 3.848 11.126 -11.313 522 H VAL 68 HN VAL 68 1.675 8.796 -9.368 523 HA VAL 68 HA VAL 68 2.986 6.436 -8.296 524 HB VAL 68 HB VAL 68 0.279 6.654 -9.627 525 HG11 VAL 68 1HG1 VAL 68 1.446 4.536 -7.826 526 HG12 VAL 68 2HG1 VAL 68 -0.197 4.559 -8.470 527 HG13 VAL 68 3HG1 VAL 68 1.177 4.388 -9.563 528 HG21 VAL 68 3HG2 VAL 68 0.409 8.110 -7.676 529 HG22 VAL 68 1HG2 VAL 68 -0.643 6.730 -7.367 530 HG23 VAL 68 2HG2 VAL 68 0.989 6.762 -6.697 531 H GLY 69 HN GLY 69 4.001 4.904 -9.501 532 HA2 GLY 69 2HA GLY 69 3.891 5.263 -12.430 533 HA3 GLY 69 3HA GLY 69 5.401 5.060 -11.570 534 H GLU 70 HN GLU 70 5.884 3.002 -10.649 535 HA GLU 70 HA GLU 70 4.953 0.955 -12.493 536 HB2 GLU 70 2HB GLU 70 6.993 -0.289 -11.522 537 HB3 GLU 70 3HB GLU 70 7.260 1.097 -12.570 538 HG2 GLU 70 2HG GLU 70 7.526 2.496 -10.523 539 HG3 GLU 70 3HG GLU 70 7.450 1.014 -9.574 540 H TYR 71 HN TYR 71 3.991 -0.873 -12.003 541 HA TYR 71 HA TYR 71 2.728 -1.055 -9.399 542 HB2 TYR 71 2HB TYR 71 1.446 -1.192 -11.501 543 HB3 TYR 71 3HB TYR 71 2.348 -2.628 -11.956 544 HD1 TYR 71 2HD TYR 71 0.682 -1.649 -8.753 545 HD2 TYR 71 1HD TYR 71 0.904 -4.398 -11.990 546 HE1 TYR 71 2HE TYR 71 -1.038 -3.043 -7.684 547 HE2 TYR 71 1HE TYR 71 -0.819 -5.792 -10.936 548 HH TYR 71 HH TYR 71 -1.808 -6.214 -8.844 549 H VAL 72 HN VAL 72 3.119 -2.597 -7.875 550 HA VAL 72 HA VAL 72 5.413 -4.346 -8.342 551 HB VAL 72 HB VAL 72 3.931 -3.746 -5.782 552 HG11 VAL 72 1HG1 VAL 72 5.043 -5.898 -5.679 553 HG12 VAL 72 2HG1 VAL 72 6.549 -5.167 -6.235 554 HG13 VAL 72 3HG1 VAL 72 5.880 -4.724 -4.664 555 HG21 VAL 72 3HG2 VAL 72 6.547 -2.660 -6.807 556 HG22 VAL 72 1HG2 VAL 72 5.025 -1.776 -6.714 557 HG23 VAL 72 2HG2 VAL 72 5.823 -2.315 -5.236 558 H ALA 73 HN ALA 73 2.418 -4.820 -6.436 559 HA ALA 73 HA ALA 73 1.755 -7.236 -7.877 560 HB1 ALA 73 1HB ALA 73 2.741 -7.498 -5.037 561 HB2 ALA 73 2HB ALA 73 2.078 -8.790 -6.040 562 HB3 ALA 73 3HB ALA 73 3.609 -8.030 -6.478 563 H SER 74 HN SER 74 0.027 -8.504 -6.495 564 HA SER 74 HA SER 74 -1.624 -6.652 -4.956 565 HB2 SER 74 2HB SER 74 -2.385 -6.642 -7.361 566 HB3 SER 74 3HB SER 74 -2.766 -8.353 -7.183 567 HG SER 74 HG SER 74 -3.797 -6.456 -5.375 568 H HIS 75 HN HIS 75 -3.098 -7.668 -3.539 569 HA HIS 75 HA HIS 75 -2.819 -10.580 -3.257 570 HB2 HIS 75 2HB HIS 75 -1.410 -9.542 -1.534 571 HB3 HIS 75 3HB HIS 75 -2.766 -8.558 -1.000 572 HD1 HIS 75 1HD HIS 75 -1.819 -12.243 -1.226 573 HD2 HIS 75 2HD HIS 75 -4.245 -9.683 0.989 574 HE1 HIS 75 1HE HIS 75 -2.792 -13.651 0.623 575 HE2 HIS 75 2HE HIS 75 -4.373 -12.121 1.854 576 H GLN 76 HN GLN 76 -4.708 -11.635 -2.840 577 HA GLN 76 HA GLN 76 -7.100 -9.950 -2.659 578 HB2 GLN 76 2HB GLN 76 -6.628 -12.677 -3.807 579 HB3 GLN 76 3HB GLN 76 -8.248 -12.174 -3.338 580 HG2 GLN 76 2HG GLN 76 -8.079 -10.248 -4.824 581 HG3 GLN 76 3HG GLN 76 -6.463 -10.764 -5.311 582 HE21 GLN 76 1HE2 GLN 76 -6.234 -12.546 -6.660 583 HE22 GLN 76 2HE2 GLN 76 -7.567 -13.218 -7.534 584 H ARG 77 HN ARG 77 -8.557 -10.184 -1.112 585 HA ARG 77 HA ARG 77 -8.571 -12.424 0.707 586 HB2 ARG 77 2HB ARG 77 -8.255 -11.126 2.735 587 HB3 ARG 77 3HB ARG 77 -6.843 -10.923 1.710 588 HG2 ARG 77 2HG ARG 77 -7.672 -8.751 0.982 589 HG3 ARG 77 3HG ARG 77 -9.110 -8.965 1.985 590 HD2 ARG 77 2HD ARG 77 -7.694 -9.072 3.981 591 HD3 ARG 77 3HD ARG 77 -6.265 -8.859 2.976 592 HE ARG 77 HE ARG 77 -7.413 -6.655 2.341 593 HH11 ARG 77 2HH1 ARG 77 -7.715 -8.184 5.481 594 HH12 ARG 77 1HH1 ARG 77 -7.844 -6.672 6.337 595 HH21 ARG 77 2HH2 ARG 77 -7.588 -4.664 3.486 596 HH22 ARG 77 1HH2 ARG 77 -7.761 -4.686 5.218 597 H GLU 78 HN GLU 78 -10.461 -11.867 2.408 598 HA GLU 78 HA GLU 78 -12.445 -10.325 0.879 599 HB2 GLU 78 2HB GLU 78 -14.153 -11.821 1.424 600 HB3 GLU 78 3HB GLU 78 -12.784 -12.857 1.047 601 HG2 GLU 78 2HG GLU 78 -12.394 -13.345 3.315 602 HG3 GLU 78 3HG GLU 78 -13.459 -12.049 3.850 603 H VAL 79 HN VAL 79 -13.955 -9.120 1.957 604 HA VAL 79 HA VAL 79 -13.591 -8.802 4.849 605 HB VAL 79 HB VAL 79 -12.757 -6.754 3.952 606 HG11 VAL 79 1HG1 VAL 79 -14.129 -5.308 2.464 607 HG12 VAL 79 2HG1 VAL 79 -13.570 -6.800 1.706 608 HG13 VAL 79 3HG1 VAL 79 -15.241 -6.662 2.259 609 HG21 VAL 79 3HG2 VAL 79 -15.591 -6.369 4.892 610 HG22 VAL 79 1HG2 VAL 79 -14.150 -6.482 5.901 611 HG23 VAL 79 2HG2 VAL 79 -14.364 -5.105 4.821 612 H SER 80 HN SER 80 -15.212 -10.108 5.449 613 HA SER 80 HA SER 80 -17.218 -11.162 5.516 614 HB2 SER 80 2HB SER 80 -19.190 -9.564 5.736 615 HB3 SER 80 3HB SER 80 -17.856 -9.327 6.864 616 HG SER 80 HG SER 80 -17.578 -7.902 4.539 617 H GLY 81 HN GLY 81 -16.686 -12.058 3.325 618 HA2 GLY 81 2HA GLY 81 -17.770 -12.973 1.505 619 HA3 GLY 81 3HA GLY 81 -19.076 -11.823 1.728 620 H ARG 82 HN ARG 82 -16.967 -9.603 1.646 621 HA ARG 82 HA ARG 82 -17.068 -9.347 -1.261 622 HB2 ARG 82 2HB ARG 82 -16.343 -7.346 0.890 623 HB3 ARG 82 3HB ARG 82 -16.459 -6.985 -0.829 624 HG2 ARG 82 2HG ARG 82 -18.820 -7.559 -0.801 625 HG3 ARG 82 3HG ARG 82 -18.715 -7.955 0.913 626 HD2 ARG 82 2HD ARG 82 -18.147 -5.651 1.434 627 HD3 ARG 82 3HD ARG 82 -18.151 -5.244 -0.281 628 HE ARG 82 HE ARG 82 -20.614 -6.121 -0.067 629 HH11 ARG 82 2HH1 ARG 82 -18.863 -4.157 2.261 630 HH12 ARG 82 1HH1 ARG 82 -20.288 -3.315 2.802 631 HH21 ARG 82 2HH2 ARG 82 -22.469 -5.041 0.661 632 HH22 ARG 82 1HH2 ARG 82 -22.347 -3.828 1.898 633 H ILE 83 HN ILE 83 -15.297 -9.358 -2.568 634 HA ILE 83 HA ILE 83 -12.846 -10.293 -1.287 635 HB ILE 83 HB ILE 83 -13.812 -10.391 -4.140 636 HG12 ILE 83 2HG1 ILE 83 -13.316 -12.829 -3.822 637 HG13 ILE 83 3HG1 ILE 83 -12.936 -12.489 -2.140 638 HG21 ILE 83 1HG2 ILE 83 -11.665 -11.400 -4.773 639 HG22 ILE 83 2HG2 ILE 83 -11.481 -9.725 -4.254 640 HG23 ILE 83 3HG2 ILE 83 -11.030 -11.039 -3.167 641 HD11 ILE 83 3HD1 ILE 83 -15.602 -12.110 -3.476 642 HD12 ILE 83 1HD1 ILE 83 -15.161 -13.395 -2.352 643 HD13 ILE 83 2HD1 ILE 83 -15.234 -11.722 -1.796 644 H ILE 84 HN ILE 84 -11.324 -8.913 -0.826 645 HA ILE 84 HA ILE 84 -11.243 -6.334 -2.170 646 HB ILE 84 HB ILE 84 -9.141 -6.766 -0.205 647 HG12 ILE 84 2HG1 ILE 84 -11.989 -7.347 0.537 648 HG13 ILE 84 3HG1 ILE 84 -10.517 -8.171 1.052 649 HG21 ILE 84 1HG2 ILE 84 -10.000 -4.596 -1.136 650 HG22 ILE 84 2HG2 ILE 84 -11.454 -4.850 -0.164 651 HG23 ILE 84 3HG2 ILE 84 -9.885 -4.672 0.624 652 HD11 ILE 84 3HD1 ILE 84 -11.377 -6.940 2.897 653 HD12 ILE 84 1HD1 ILE 84 -9.914 -6.132 2.339 654 HD13 ILE 84 2HD1 ILE 84 -11.506 -5.465 1.920 655 H HIS 85 HN HIS 85 -9.729 -5.691 -3.505 656 HA HIS 85 HA HIS 85 -7.564 -7.567 -4.208 657 HB2 HIS 85 2HB HIS 85 -9.594 -6.554 -5.809 658 HB3 HIS 85 3HB HIS 85 -8.248 -5.482 -6.163 659 HD1 HIS 85 1HD HIS 85 -9.685 -8.660 -7.086 660 HD2 HIS 85 2HD HIS 85 -5.880 -6.990 -7.100 661 HE1 HIS 85 1HE HIS 85 -8.347 -10.046 -8.694 662 HE2 HIS 85 2HE HIS 85 -6.124 -8.877 -8.855 663 H LEU 86 HN LEU 86 -5.867 -6.755 -2.976 664 HA LEU 86 HA LEU 86 -5.573 -3.865 -2.765 665 HB2 LEU 86 2HB LEU 86 -4.327 -6.188 -1.348 666 HB3 LEU 86 3HB LEU 86 -3.545 -4.621 -1.298 667 HG LEU 86 HG LEU 86 -5.928 -3.814 -0.514 668 HD11 LEU 86 1HD1 LEU 86 -7.033 -5.493 0.892 669 HD12 LEU 86 2HD1 LEU 86 -7.046 -5.950 -0.811 670 HD13 LEU 86 3HD1 LEU 86 -5.909 -6.717 0.299 671 HD21 LEU 86 3HD2 LEU 86 -3.879 -3.579 0.760 672 HD22 LEU 86 1HD2 LEU 86 -5.189 -4.133 1.807 673 HD23 LEU 86 2HD2 LEU 86 -3.965 -5.272 1.247 674 H HIS 87 HN HIS 87 -4.378 -2.774 -4.134 675 HA HIS 87 HA HIS 87 -2.392 -4.225 -5.747 676 HB2 HIS 87 2HB HIS 87 -3.603 -1.484 -6.197 677 HB3 HIS 87 3HB HIS 87 -2.522 -2.328 -7.294 678 HD1 HIS 87 1HD HIS 87 -3.524 -4.461 -8.508 679 HD2 HIS 87 2HD HIS 87 -6.258 -2.092 -6.455 680 HE1 HIS 87 1HE HIS 87 -5.787 -5.124 -9.376 681 HE2 HIS 87 2HE HIS 87 -7.394 -3.496 -8.312 682 H ALA 88 HN ALA 88 -0.343 -4.056 -4.998 683 HA ALA 88 HA ALA 88 0.432 -1.709 -3.447 684 HB1 ALA 88 1HB ALA 88 1.948 -4.238 -4.100 685 HB2 ALA 88 2HB ALA 88 2.540 -2.932 -3.070 686 HB3 ALA 88 3HB ALA 88 1.122 -3.861 -2.584 687 H TRP 89 HN TRP 89 1.102 0.012 -4.500 688 HA TRP 89 HA TRP 89 2.461 -0.344 -7.092 689 HB2 TRP 89 2HB TRP 89 0.313 1.302 -6.327 690 HB3 TRP 89 3HB TRP 89 1.691 2.382 -6.497 691 HD1 TRP 89 1HD TRP 89 3.018 2.134 -8.980 692 HE1 TRP 89 1HE TRP 89 1.958 1.863 -11.310 693 HE3 TRP 89 3HE TRP 89 -1.591 0.441 -7.568 694 HZ2 TRP 89 2HZ TRP 89 -0.516 1.039 -12.402 695 HZ3 TRP 89 3HZ TRP 89 -3.248 -0.062 -9.315 696 HH2 TRP 89 2HH TRP 89 -2.721 0.232 -11.681 697 H HIS 90 HN HIS 90 4.484 0.507 -7.415 698 HA HIS 90 HA HIS 90 5.940 1.339 -5.055 699 HB2 HIS 90 2HB HIS 90 6.963 -0.271 -6.586 700 HB3 HIS 90 3HB HIS 90 6.794 0.855 -7.922 701 HD1 HIS 90 1HD HIS 90 9.303 0.896 -8.435 702 HD2 HIS 90 2HD HIS 90 8.387 2.041 -4.535 703 HE1 HIS 90 1HE HIS 90 11.410 1.880 -7.502 704 HE2 HIS 90 2HE HIS 90 10.913 2.305 -5.079 705 H VAL 91 HN VAL 91 5.736 3.404 -4.465 706 HA VAL 91 HA VAL 91 5.288 5.468 -6.480 707 HB VAL 91 HB VAL 91 5.307 5.691 -3.461 708 HG11 VAL 91 1HG1 VAL 91 5.813 7.809 -4.553 709 HG12 VAL 91 2HG1 VAL 91 4.371 7.647 -5.556 710 HG13 VAL 91 3HG1 VAL 91 4.212 7.848 -3.811 711 HG21 VAL 91 3HG2 VAL 91 2.859 5.809 -3.658 712 HG22 VAL 91 1HG2 VAL 91 2.994 5.472 -5.384 713 HG23 VAL 91 2HG2 VAL 91 3.499 4.260 -4.205 714 HA PRO 92 HA PRO 92 9.707 6.161 -6.071 715 HB2 PRO 92 2HB PRO 92 10.127 7.005 -8.558 716 HB3 PRO 92 3HB PRO 92 9.732 5.313 -8.231 717 HG2 PRO 92 2HG PRO 92 7.997 7.494 -9.299 718 HG3 PRO 92 3HG PRO 92 8.028 5.775 -9.731 719 HD2 PRO 92 2HD PRO 92 6.240 7.008 -7.957 720 HD3 PRO 92 3HD PRO 92 6.513 5.262 -8.122 721 H ASP 93 HN ASP 93 7.185 8.431 -6.595 722 HA ASP 93 HA ASP 93 8.974 10.638 -5.950 723 HB2 ASP 93 2HB ASP 93 8.912 10.540 -8.416 724 HB3 ASP 93 3HB ASP 93 7.157 10.659 -8.356 725 H PHE 94 HN PHE 94 8.064 12.147 -4.741 726 HA PHE 94 HA PHE 94 5.188 12.513 -4.655 727 HB2 PHE 94 2HB PHE 94 5.086 12.305 -2.194 728 HB3 PHE 94 3HB PHE 94 5.520 10.783 -2.961 729 HD1 PHE 94 1HD PHE 94 7.805 9.912 -2.779 730 HD2 PHE 94 2HD PHE 94 6.609 13.453 -0.751 731 HE1 PHE 94 1HE PHE 94 9.800 9.758 -1.343 732 HE2 PHE 94 2HE PHE 94 8.602 13.311 0.683 733 HZ PHE 94 HZ PHE 94 10.201 11.462 0.389 734 H HIS 95 HN HIS 95 4.593 14.578 -4.000 735 HA HIS 95 HA HIS 95 6.840 16.410 -3.469 736 HB2 HIS 95 2HB HIS 95 4.300 16.924 -5.037 737 HB3 HIS 95 3HB HIS 95 5.540 18.126 -4.707 738 HD1 HIS 95 1HD HIS 95 7.857 17.787 -5.919 739 HD2 HIS 95 2HD HIS 95 4.835 15.196 -7.115 740 HE1 HIS 95 1HE HIS 95 8.673 16.733 -8.051 741 HE2 HIS 95 2HE HIS 95 6.975 14.932 -8.538 742 H GLY 96 HN GLY 96 6.765 17.363 -1.542 743 HA2 GLY 96 2HA GLY 96 5.281 18.872 -0.165 744 HA3 GLY 96 3HA GLY 96 4.147 17.528 -0.183 745 H THR 97 HN THR 97 4.319 17.751 2.192 746 HA THR 97 HA THR 97 6.703 16.341 3.200 747 HB THR 97 HB THR 97 4.944 18.254 4.755 748 HG1 THR 97 1HG THR 97 7.483 18.619 3.485 749 HG21 THR 97 3HG2 THR 97 7.592 16.955 5.422 750 HG22 THR 97 1HG2 THR 97 6.033 16.600 6.167 751 HG23 THR 97 2HG2 THR 97 6.784 18.178 6.403 752 H LEU 98 HN LEU 98 6.269 14.352 3.771 753 HA LEU 98 HA LEU 98 3.608 13.361 3.850 754 HB2 LEU 98 2HB LEU 98 4.751 11.216 4.652 755 HB3 LEU 98 3HB LEU 98 5.097 11.796 3.037 756 HG LEU 98 HG LEU 98 6.980 12.667 5.154 757 HD11 LEU 98 1HD1 LEU 98 8.177 10.560 5.145 758 HD12 LEU 98 2HD1 LEU 98 6.543 10.317 5.760 759 HD13 LEU 98 3HD1 LEU 98 6.943 9.836 4.112 760 HD21 LEU 98 3HD2 LEU 98 7.151 11.700 2.306 761 HD22 LEU 98 1HD2 LEU 98 7.417 13.334 2.911 762 HD23 LEU 98 2HD2 LEU 98 8.571 12.059 3.294 763 H GLN 99 HN GLN 99 2.271 13.132 5.441 764 HA GLN 99 HA GLN 99 3.218 13.440 8.204 765 HB2 GLN 99 2HB GLN 99 1.372 14.923 8.668 766 HB3 GLN 99 3HB GLN 99 2.226 15.545 7.253 767 HG2 GLN 99 2HG GLN 99 0.542 14.563 5.796 768 HG3 GLN 99 3HG GLN 99 -0.315 13.929 7.196 769 HE21 GLN 99 1HE2 GLN 99 -2.163 15.051 6.641 770 HE22 GLN 99 2HE2 GLN 99 -2.310 16.764 6.854 771 H ALA 100 HN ALA 100 1.652 12.568 9.780 772 HA ALA 100 HA ALA 100 0.147 10.327 8.626 773 HB1 ALA 100 1HB ALA 100 0.343 9.224 10.751 774 HB2 ALA 100 2HB ALA 100 1.937 9.780 10.242 775 HB3 ALA 100 3HB ALA 100 1.048 10.668 11.480 776 H HIS 101 HN HIS 101 -1.859 11.130 8.167 777 HA HIS 101 HA HIS 101 -3.274 12.829 10.002 778 HB2 HIS 101 2HB HIS 101 -3.618 13.114 7.623 779 HB3 HIS 101 3HB HIS 101 -4.119 11.439 7.451 780 HD1 HIS 101 1HD HIS 101 -6.551 11.081 7.387 781 HD2 HIS 101 2HD HIS 101 -5.552 14.618 9.350 782 HE1 HIS 101 1HE HIS 101 -8.738 12.198 7.942 783 HE2 HIS 101 2HE HIS 101 -8.098 14.440 8.892 784 H GLU 102 HN GLU 102 -4.423 9.778 8.552 785 HA GLU 102 HA GLU 102 -5.928 9.185 10.946 786 HB2 GLU 102 2HB GLU 102 -5.732 8.128 8.177 787 HB3 GLU 102 3HB GLU 102 -6.258 6.990 9.427 788 HG2 GLU 102 2HG GLU 102 -7.542 9.639 8.778 789 HG3 GLU 102 3HG GLU 102 -8.172 8.042 8.372 790 H HIS 103 HN HIS 103 -2.826 8.856 10.147 791 HA HIS 103 HA HIS 103 -2.470 6.295 11.547 792 HB2 HIS 103 2HB HIS 103 -0.613 7.703 9.603 793 HB3 HIS 103 3HB HIS 103 -0.295 6.159 10.389 794 HD1 HIS 103 1HD HIS 103 -2.722 7.688 7.865 795 HD2 HIS 103 2HD HIS 103 -1.280 3.980 9.084 796 HE1 HIS 103 1HE HIS 103 -3.614 6.033 6.204 797 HE2 HIS 103 2HE HIS 103 -2.860 3.772 7.047 798 H GLN 104 HN GLN 104 -0.468 6.256 12.973 799 HA GLN 104 HA GLN 104 -0.431 8.818 14.391 800 HB2 GLN 104 2HB GLN 104 -1.011 6.665 15.584 801 HB3 GLN 104 3HB GLN 104 0.670 6.190 15.381 802 HG2 GLN 104 2HG GLN 104 1.412 8.070 16.687 803 HG3 GLN 104 3HG GLN 104 -0.237 8.684 16.798 804 HE21 GLN 104 1HE2 GLN 104 2.037 6.345 17.943 805 HE22 GLN 104 2HE2 GLN 104 1.085 5.767 19.271 806 H ALA 105 HN ALA 105 1.878 6.332 13.298 807 HA ALA 105 HA ALA 105 3.965 8.412 13.356 808 HB1 ALA 105 1HB ALA 105 4.319 5.457 13.846 809 HB2 ALA 105 2HB ALA 105 5.594 6.676 13.869 810 HB3 ALA 105 3HB ALA 105 4.317 6.712 15.086 811 H LEU 106 HN LEU 106 5.698 8.153 11.785 812 HA LEU 106 HA LEU 106 5.038 6.518 9.436 813 HB2 LEU 106 2HB LEU 106 4.866 9.365 9.588 814 HB3 LEU 106 3HB LEU 106 6.252 8.966 8.595 815 HG LEU 106 HG LEU 106 4.779 7.574 7.162 816 HD11 LEU 106 1HD1 LEU 106 3.034 7.083 8.788 817 HD12 LEU 106 2HD1 LEU 106 2.573 8.785 8.819 818 HD13 LEU 106 3HD1 LEU 106 2.362 7.840 7.345 819 HD21 LEU 106 3HD2 LEU 106 3.698 9.451 6.045 820 HD22 LEU 106 1HD2 LEU 106 3.939 10.453 7.477 821 HD23 LEU 106 2HD2 LEU 106 5.330 9.874 6.560 822 H VAL 107 HN VAL 107 6.805 5.354 8.825 823 HA VAL 107 HA VAL 107 9.452 6.394 9.582 824 HB VAL 107 HB VAL 107 8.628 4.715 11.265 825 HG11 VAL 107 1HG1 VAL 107 8.709 2.334 10.648 826 HG12 VAL 107 2HG1 VAL 107 7.427 3.206 9.806 827 HG13 VAL 107 3HG1 VAL 107 8.919 2.797 8.959 828 HG21 VAL 107 3HG2 VAL 107 10.740 3.439 11.334 829 HG22 VAL 107 1HG2 VAL 107 11.121 4.031 9.717 830 HG23 VAL 107 2HG2 VAL 107 10.987 5.164 11.061 831 H TRP 108 HN TRP 108 11.135 5.876 8.244 832 HA TRP 108 HA TRP 108 10.500 4.385 5.791 833 HB2 TRP 108 2HB TRP 108 12.542 6.462 6.474 834 HB3 TRP 108 3HB TRP 108 12.892 5.309 5.192 835 HD1 TRP 108 1HD TRP 108 10.334 5.155 3.554 836 HE1 TRP 108 1HE TRP 108 9.381 7.198 2.318 837 HE3 TRP 108 3HE TRP 108 12.568 8.856 6.280 838 HZ2 TRP 108 2HZ TRP 108 9.558 10.015 2.476 839 HZ3 TRP 108 3HZ TRP 108 12.128 11.201 5.674 840 HH2 TRP 108 2HH TRP 108 10.653 11.767 3.809 841 H CYS 109 HN CYS 109 10.963 2.312 5.893 842 HA CYS 109 HA CYS 109 13.599 1.588 6.966 843 HB2 CYS 109 2HB CYS 109 12.680 -0.502 7.921 844 HB3 CYS 109 3HB CYS 109 12.035 0.934 8.706 845 HG CYS 109 HG CYS 109 10.083 -0.003 6.214 846 H SER 110 HN SER 110 14.457 -0.380 6.046 847 HA SER 110 HA SER 110 14.056 -0.328 3.222 848 HB2 SER 110 2HB SER 110 15.754 -2.240 4.834 849 HB3 SER 110 3HB SER 110 15.980 -1.764 3.151 850 HG SER 110 HG SER 110 16.936 0.013 3.772 851 HA PRO 111 HA PRO 111 11.210 -3.524 2.262 852 HB2 PRO 111 2HB PRO 111 12.821 -5.489 1.046 853 HB3 PRO 111 3HB PRO 111 11.959 -4.176 0.242 854 HG2 PRO 111 2HG PRO 111 14.809 -4.343 1.076 855 HG3 PRO 111 3HG PRO 111 14.092 -3.539 -0.332 856 HD2 PRO 111 2HD PRO 111 14.941 -2.134 1.766 857 HD3 PRO 111 3HD PRO 111 13.459 -1.672 0.907 858 H GLU 112 HN GLU 112 14.215 -5.237 3.220 859 HA GLU 112 HA GLU 112 12.741 -7.429 4.299 860 HB2 GLU 112 2HB GLU 112 14.874 -8.279 5.116 861 HB3 GLU 112 3HB GLU 112 15.022 -7.745 3.452 862 HG2 GLU 112 2HG GLU 112 15.874 -6.092 5.814 863 HG3 GLU 112 3HG GLU 112 16.946 -7.188 4.947 864 H GLU 113 HN GLU 113 14.000 -4.469 5.575 865 HA GLU 113 HA GLU 113 13.734 -5.028 8.331 866 HB2 GLU 113 2HB GLU 113 13.554 -2.407 6.830 867 HB3 GLU 113 3HB GLU 113 13.692 -2.555 8.577 868 HG2 GLU 113 2HG GLU 113 15.740 -3.856 6.858 869 HG3 GLU 113 3HG GLU 113 15.790 -2.108 7.087 870 H ALA 114 HN ALA 114 11.533 -3.717 5.915 871 HA ALA 114 HA ALA 114 9.463 -2.896 7.623 872 HB1 ALA 114 1HB ALA 114 8.081 -2.812 5.637 873 HB2 ALA 114 2HB ALA 114 9.690 -2.187 5.276 874 HB3 ALA 114 3HB ALA 114 9.238 -3.812 4.758 875 H LEU 115 HN LEU 115 9.992 -5.983 5.960 876 HA LEU 115 HA LEU 115 7.471 -7.049 6.775 877 HB2 LEU 115 2HB LEU 115 9.285 -7.705 4.860 878 HB3 LEU 115 3HB LEU 115 9.614 -8.940 6.058 879 HG LEU 115 HG LEU 115 7.944 -9.505 4.200 880 HD11 LEU 115 1HD1 LEU 115 8.210 -10.870 6.206 881 HD12 LEU 115 2HD1 LEU 115 7.068 -9.835 7.063 882 HD13 LEU 115 3HD1 LEU 115 6.525 -10.801 5.690 883 HD21 LEU 115 3HD2 LEU 115 5.701 -8.744 4.417 884 HD22 LEU 115 1HD2 LEU 115 6.062 -7.914 5.930 885 HD23 LEU 115 2HD2 LEU 115 6.736 -7.316 4.414 886 H GLN 116 HN GLN 116 10.508 -6.690 8.312 887 HA GLN 116 HA GLN 116 9.974 -8.772 10.257 888 HB2 GLN 116 2HB GLN 116 12.199 -6.763 9.973 889 HB3 GLN 116 3HB GLN 116 12.066 -7.869 11.338 890 HG2 GLN 116 2HG GLN 116 12.328 -8.646 8.439 891 HG3 GLN 116 3HG GLN 116 13.592 -8.732 9.663 892 HE21 GLN 116 1HE2 GLN 116 13.563 -10.359 11.168 893 HE22 GLN 116 2HE2 GLN 116 12.511 -11.733 11.051 894 H TYR 117 HN TYR 117 8.753 -5.821 9.723 895 HA TYR 117 HA TYR 117 8.416 -5.167 12.556 896 HB2 TYR 117 2HB TYR 117 7.999 -3.694 9.991 897 HB3 TYR 117 3HB TYR 117 6.971 -3.267 11.353 898 HD1 TYR 117 1HD TYR 117 10.600 -3.809 10.584 899 HD2 TYR 117 2HD TYR 117 7.690 -1.603 12.764 900 HE1 TYR 117 1HE TYR 117 12.372 -2.352 11.465 901 HE2 TYR 117 2HE TYR 117 9.453 -0.138 13.650 902 HH TYR 117 HH TYR 117 11.770 -0.052 14.004 903 HA PRO 118 HA PRO 118 4.337 -6.918 12.654 904 HB2 PRO 118 2HB PRO 118 2.921 -5.132 14.126 905 HB3 PRO 118 3HB PRO 118 4.122 -6.219 14.832 906 HG2 PRO 118 2HG PRO 118 4.396 -3.342 14.059 907 HG3 PRO 118 3HG PRO 118 4.964 -4.163 15.525 908 HD2 PRO 118 2HD PRO 118 6.611 -3.606 13.447 909 HD3 PRO 118 3HD PRO 118 6.816 -5.051 14.459 910 H LEU 119 HN LEU 119 3.995 -6.636 10.376 911 HA LEU 119 HA LEU 119 2.464 -4.295 9.546 912 HB2 LEU 119 2HB LEU 119 3.632 -6.615 8.018 913 HB3 LEU 119 3HB LEU 119 2.597 -5.409 7.277 914 HG LEU 119 HG LEU 119 5.292 -4.886 8.545 915 HD11 LEU 119 1HD1 LEU 119 5.403 -6.087 6.409 916 HD12 LEU 119 2HD1 LEU 119 4.417 -4.830 5.661 917 HD13 LEU 119 3HD1 LEU 119 6.023 -4.441 6.276 918 HD21 LEU 119 3HD2 LEU 119 3.793 -2.994 8.835 919 HD22 LEU 119 1HD2 LEU 119 5.026 -2.626 7.627 920 HD23 LEU 119 2HD2 LEU 119 3.387 -3.033 7.119 921 H ALA 120 HN ALA 120 0.399 -4.491 8.532 922 HA ALA 120 HA ALA 120 -1.368 -6.334 9.754 923 HB1 ALA 120 1HB ALA 120 -3.068 -5.379 8.264 924 HB2 ALA 120 2HB ALA 120 -2.090 -4.117 9.014 925 HB3 ALA 120 3HB ALA 120 -1.800 -4.578 7.337 926 HA PRO 121 HA PRO 121 -1.195 -10.022 7.448 927 HB2 PRO 121 2HB PRO 121 -3.884 -10.473 6.881 928 HB3 PRO 121 3HB PRO 121 -3.060 -10.910 8.380 929 HG2 PRO 121 2HG PRO 121 -4.750 -8.527 7.771 930 HG3 PRO 121 3HG PRO 121 -4.659 -9.492 9.256 931 HD2 PRO 121 2HD PRO 121 -3.478 -7.100 9.087 932 HD3 PRO 121 3HD PRO 121 -2.711 -8.441 9.966 933 H ALA 122 HN ALA 122 -2.801 -7.328 5.919 934 HA ALA 122 HA ALA 122 -2.835 -8.681 3.334 935 HB1 ALA 122 1HB ALA 122 -3.950 -6.678 2.507 936 HB2 ALA 122 2HB ALA 122 -4.757 -7.305 3.946 937 HB3 ALA 122 3HB ALA 122 -3.709 -5.891 4.067 938 H ASP 123 HN ASP 123 -0.969 -6.420 5.136 939 HA ASP 123 HA ASP 123 0.348 -5.198 2.887 940 HB2 ASP 123 2HB ASP 123 0.958 -5.098 5.851 941 HB3 ASP 123 3HB ASP 123 1.731 -4.096 4.626 942 H ILE 124 HN ILE 124 0.846 -7.906 4.948 943 HA ILE 124 HA ILE 124 3.642 -8.130 4.788 944 HB ILE 124 HB ILE 124 1.571 -10.290 5.215 945 HG12 ILE 124 2HG1 ILE 124 3.294 -8.782 7.198 946 HG13 ILE 124 3HG1 ILE 124 1.589 -8.462 6.900 947 HG21 ILE 124 1HG2 ILE 124 4.550 -10.364 5.697 948 HG22 ILE 124 2HG2 ILE 124 3.403 -11.627 6.145 949 HG23 ILE 124 3HG2 ILE 124 3.678 -11.248 4.445 950 HD11 ILE 124 3HD1 ILE 124 1.885 -9.767 8.913 951 HD12 ILE 124 1HD1 ILE 124 1.038 -10.711 7.687 952 HD13 ILE 124 2HD1 ILE 124 2.748 -11.009 8.005 953 HA PRO 125 HA PRO 125 2.976 -11.347 1.206 954 HB2 PRO 125 2HB PRO 125 0.618 -11.114 -0.187 955 HB3 PRO 125 3HB PRO 125 0.897 -12.277 1.115 956 HG2 PRO 125 2HG PRO 125 -0.466 -9.618 1.209 957 HG3 PRO 125 3HG PRO 125 -0.932 -11.147 1.978 958 HD2 PRO 125 2HD PRO 125 0.268 -9.195 3.369 959 HD3 PRO 125 3HD PRO 125 0.617 -10.907 3.686 960 H LEU 126 HN LEU 126 1.642 -8.106 1.006 961 HA LEU 126 HA LEU 126 2.259 -7.703 -1.757 962 HB2 LEU 126 2HB LEU 126 1.755 -5.744 0.490 963 HB3 LEU 126 3HB LEU 126 1.951 -5.284 -1.189 964 HG LEU 126 HG LEU 126 -0.261 -7.038 -0.115 965 HD11 LEU 126 1HD1 LEU 126 -0.283 -4.165 -1.030 966 HD12 LEU 126 2HD1 LEU 126 -1.702 -5.117 -0.594 967 HD13 LEU 126 3HD1 LEU 126 -0.489 -4.733 0.627 968 HD21 LEU 126 3HD2 LEU 126 0.201 -5.885 -2.862 969 HD22 LEU 126 1HD2 LEU 126 0.333 -7.585 -2.413 970 HD23 LEU 126 2HD2 LEU 126 -1.232 -6.774 -2.345 971 H LEU 127 HN LEU 127 3.842 -7.005 1.321 972 HA LEU 127 HA LEU 127 6.060 -5.661 0.121 973 HB2 LEU 127 2HB LEU 127 5.181 -5.367 2.484 974 HB3 LEU 127 3HB LEU 127 5.927 -6.902 2.864 975 HG LEU 127 HG LEU 127 7.215 -4.827 3.524 976 HD11 LEU 127 1HD1 LEU 127 8.589 -6.793 1.705 977 HD12 LEU 127 2HD1 LEU 127 9.389 -5.726 2.860 978 HD13 LEU 127 3HD1 LEU 127 8.303 -6.991 3.434 979 HD21 LEU 127 3HD2 LEU 127 8.507 -3.719 1.781 980 HD22 LEU 127 1HD2 LEU 127 7.684 -4.682 0.555 981 HD23 LEU 127 2HD2 LEU 127 6.774 -3.521 1.522 982 H GLU 128 HN GLU 128 5.342 -8.943 1.186 983 HA GLU 128 HA GLU 128 7.866 -10.074 1.020 984 HB2 GLU 128 2HB GLU 128 5.215 -11.317 0.267 985 HB3 GLU 128 3HB GLU 128 6.707 -12.208 0.527 986 HG2 GLU 128 2HG GLU 128 6.724 -11.225 2.857 987 HG3 GLU 128 3HG GLU 128 5.080 -10.691 2.533 988 H ALA 129 HN ALA 129 5.529 -9.430 -1.567 989 HA ALA 129 HA ALA 129 7.247 -10.573 -3.558 990 HB1 ALA 129 1HB ALA 129 5.678 -9.883 -5.171 991 HB2 ALA 129 2HB ALA 129 4.768 -10.472 -3.778 992 HB3 ALA 129 3HB ALA 129 4.927 -8.733 -4.060 993 H PHE 130 HN PHE 130 6.854 -7.352 -2.172 994 HA PHE 130 HA PHE 130 8.050 -5.972 -4.349 995 HB2 PHE 130 2HB PHE 130 6.673 -4.833 -2.629 996 HB3 PHE 130 3HB PHE 130 7.914 -5.182 -1.429 997 HD1 PHE 130 1HD PHE 130 7.189 -3.292 -4.513 998 HD2 PHE 130 2HD PHE 130 9.843 -3.831 -1.229 999 HE1 PHE 130 1HE PHE 130 8.336 -1.199 -5.102 1000 HE2 PHE 130 2HE PHE 130 10.996 -1.742 -1.820 1001 HZ PHE 130 HZ PHE 130 10.241 -0.423 -3.755 1002 H MET 131 HN MET 131 9.245 -7.226 -1.250 1003 HA MET 131 HA MET 131 11.950 -6.594 -1.763 1004 HB2 MET 131 2HB MET 131 12.498 -8.041 0.090 1005 HB3 MET 131 3HB MET 131 11.070 -7.104 0.501 1006 HG2 MET 131 2HG MET 131 9.672 -9.057 -0.041 1007 HG3 MET 131 3HG MET 131 11.136 -9.988 -0.360 1008 HE1 MET 131 3HE MET 131 9.915 -11.516 3.022 1009 HE2 MET 131 1HE MET 131 8.928 -10.982 1.661 1010 HE3 MET 131 2HE MET 131 10.432 -11.856 1.371 1011 H ALA 132 HN ALA 132 9.931 -9.420 -2.538 1012 HA ALA 132 HA ALA 132 11.857 -11.083 -3.615 1013 HB1 ALA 132 1HB ALA 132 10.026 -12.011 -4.975 1014 HB2 ALA 132 2HB ALA 132 9.547 -11.766 -3.297 1015 HB3 ALA 132 3HB ALA 132 9.009 -10.630 -4.541 1016 H LEU 133 HN LEU 133 10.199 -8.314 -5.074 1017 HA LEU 133 HA LEU 133 11.182 -8.646 -7.698 1018 HB2 LEU 133 2HB LEU 133 9.849 -6.523 -6.153 1019 HB3 LEU 133 3HB LEU 133 10.864 -5.943 -7.456 1020 HG LEU 133 HG LEU 133 8.553 -6.148 -8.180 1021 HD11 LEU 133 1HD1 LEU 133 10.370 -8.208 -9.415 1022 HD12 LEU 133 2HD1 LEU 133 8.909 -7.556 -10.161 1023 HD13 LEU 133 3HD1 LEU 133 10.280 -6.494 -9.832 1024 HD21 LEU 133 3HD2 LEU 133 8.827 -9.084 -7.547 1025 HD22 LEU 133 1HD2 LEU 133 7.831 -7.925 -6.667 1026 HD23 LEU 133 2HD2 LEU 133 7.453 -8.320 -8.346 1027 H ARG 134 HN ARG 134 12.348 -6.770 -4.930 1028 HA ARG 134 HA ARG 134 14.559 -5.665 -6.333 1029 HB2 ARG 134 2HB ARG 134 13.825 -5.820 -3.420 1030 HB3 ARG 134 3HB ARG 134 15.321 -5.074 -3.968 1031 HG2 ARG 134 2HG ARG 134 14.103 -3.437 -5.241 1032 HG3 ARG 134 3HG ARG 134 12.574 -4.240 -4.880 1033 HD2 ARG 134 2HD ARG 134 13.018 -2.212 -3.504 1034 HD3 ARG 134 3HD ARG 134 12.749 -3.678 -2.566 1035 HE ARG 134 HE ARG 134 15.322 -3.755 -2.539 1036 HH11 ARG 134 2HH1 ARG 134 13.474 -0.757 -2.529 1037 HH12 ARG 134 1HH1 ARG 134 14.640 0.075 -1.548 1038 HH21 ARG 134 2HH2 ARG 134 16.833 -2.645 -1.266 1039 HH22 ARG 134 1HH2 ARG 134 16.557 -0.975 -0.855 1040 H ALA 135 HN ALA 135 14.071 -8.693 -4.730 1041 HA ALA 135 HA ALA 135 16.901 -9.151 -4.307 1042 HB1 ALA 135 1HB ALA 135 16.206 -11.355 -3.504 1043 HB2 ALA 135 2HB ALA 135 15.280 -10.071 -2.726 1044 HB3 ALA 135 3HB ALA 135 14.553 -11.026 -4.018 1045 H ALA 136 HN ALA 136 14.378 -10.056 -6.566 1046 HA ALA 136 HA ALA 136 16.102 -11.878 -8.015 1047 HB1 ALA 136 1HB ALA 136 14.167 -12.223 -9.470 1048 HB2 ALA 136 2HB ALA 136 13.729 -12.402 -7.770 1049 HB3 ALA 136 3HB ALA 136 13.308 -10.927 -8.640 1050 H ARG 137 HN ARG 137 15.354 -8.568 -8.027 1051 HA ARG 137 HA ARG 137 15.553 -6.860 -9.530 1052 HB2 ARG 137 2HB ARG 137 17.933 -6.671 -10.378 1053 HB3 ARG 137 3HB ARG 137 17.727 -6.824 -8.640 1054 HG2 ARG 137 2HG ARG 137 18.275 -9.223 -8.821 1055 HG3 ARG 137 3HG ARG 137 18.558 -8.999 -10.547 1056 HD2 ARG 137 2HD ARG 137 20.376 -7.493 -10.110 1057 HD3 ARG 137 3HD ARG 137 20.029 -7.513 -8.379 1058 HE ARG 137 HE ARG 137 20.462 -10.137 -9.057 1059 HH11 ARG 137 2HH1 ARG 137 22.296 -7.156 -9.248 1060 HH12 ARG 137 1HH1 ARG 137 23.839 -7.947 -9.080 1061 HH21 ARG 137 2HH2 ARG 137 22.481 -11.180 -8.853 1062 HH22 ARG 137 1HH2 ARG 137 23.942 -10.241 -8.860 1063 HA PRO 138 HA PRO 138 14.388 -9.257 -13.233 1064 HB2 PRO 138 2HB PRO 138 12.249 -7.758 -13.893 1065 HB3 PRO 138 3HB PRO 138 12.189 -9.004 -12.637 1066 HG2 PRO 138 2HG PRO 138 12.533 -6.043 -12.352 1067 HG3 PRO 138 3HG PRO 138 11.470 -7.130 -11.438 1068 HD2 PRO 138 2HD PRO 138 13.851 -6.284 -10.475 1069 HD3 PRO 138 3HD PRO 138 13.198 -7.892 -10.103 1070 H ALA 139 HN ALA 139 15.797 -8.861 -14.768 1071 HA ALA 139 HA ALA 139 16.066 -6.197 -15.920 1072 HB1 ALA 139 1HB ALA 139 17.845 -7.185 -17.292 1073 HB2 ALA 139 2HB ALA 139 18.114 -7.479 -15.574 1074 HB3 ALA 139 3HB ALA 139 17.492 -8.769 -16.604 1075 H ASP 140 HN ASP 140 14.127 -5.867 -16.906 1076 HA ASP 140 HA ASP 140 12.676 -7.809 -18.342 1077 HB2 ASP 140 2HB ASP 140 11.757 -5.677 -17.333 1078 HB3 ASP 140 3HB ASP 140 12.469 -4.814 -18.693 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -26.266 -16.230 -15.979 2 H2 GLY 1 2H GLY 1 -27.208 -14.871 -16.358 3 H3 GLY 1 3H GLY 1 -27.930 -16.404 -16.262 4 HA2 GLY 1 3HA GLY 1 -28.454 -15.146 -14.297 5 HA3 GLY 1 2HA GLY 1 -27.426 -16.517 -13.901 6 HA PRO 2 HA PRO 2 -25.524 -12.257 -12.757 7 HB2 PRO 2 2HB PRO 2 -26.358 -11.996 -10.178 8 HB3 PRO 2 3HB PRO 2 -27.212 -11.285 -11.551 9 HG2 PRO 2 2HG PRO 2 -27.811 -13.792 -10.040 10 HG3 PRO 2 3HG PRO 2 -28.928 -12.561 -10.658 11 HD2 PRO 2 2HD PRO 2 -28.504 -14.934 -11.912 12 HD3 PRO 2 3HD PRO 2 -28.920 -13.445 -12.781 13 H LEU 3 HN LEU 3 -23.465 -12.823 -12.466 14 HA LEU 3 HA LEU 3 -22.820 -14.790 -10.375 15 HB2 LEU 3 2HB LEU 3 -21.175 -13.794 -12.703 16 HB3 LEU 3 3HB LEU 3 -20.613 -14.940 -11.501 17 HG LEU 3 HG LEU 3 -22.897 -15.397 -13.427 18 HD11 LEU 3 1HD1 LEU 3 -20.745 -15.399 -14.548 19 HD12 LEU 3 2HD1 LEU 3 -20.105 -16.530 -13.355 20 HD13 LEU 3 3HD1 LEU 3 -21.392 -17.036 -14.449 21 HD21 LEU 3 3HD2 LEU 3 -21.615 -17.260 -11.428 22 HD22 LEU 3 1HD2 LEU 3 -23.228 -16.557 -11.301 23 HD23 LEU 3 2HD2 LEU 3 -22.860 -17.693 -12.599 24 H GLY 4 HN GLY 4 -23.052 -11.557 -10.802 25 HA2 GLY 4 2HA GLY 4 -20.700 -10.763 -9.316 26 HA3 GLY 4 3HA GLY 4 -22.011 -9.715 -9.844 27 H SER 5 HN SER 5 -22.140 -12.665 -7.897 28 HA SER 5 HA SER 5 -23.869 -11.486 -5.973 29 HB2 SER 5 2HB SER 5 -23.331 -13.655 -4.705 30 HB3 SER 5 3HB SER 5 -24.097 -13.825 -6.286 31 HG SER 5 HG SER 5 -22.082 -15.120 -5.686 32 H MET 6 HN MET 6 -20.457 -12.441 -5.963 33 HA MET 6 HA MET 6 -19.959 -11.224 -3.409 34 HB2 MET 6 2HB MET 6 -17.656 -11.822 -3.744 35 HB3 MET 6 3HB MET 6 -18.635 -13.171 -4.301 36 HG2 MET 6 2HG MET 6 -18.306 -12.520 -6.598 37 HG3 MET 6 3HG MET 6 -17.441 -11.069 -6.094 38 HE1 MET 6 3HE MET 6 -15.837 -15.365 -5.541 39 HE2 MET 6 1HE MET 6 -17.182 -14.715 -4.603 40 HE3 MET 6 2HE MET 6 -17.364 -14.984 -6.336 41 H LYS 7 HN LYS 7 -18.940 -9.283 -3.021 42 HA LYS 7 HA LYS 7 -18.695 -7.493 -5.341 43 HB2 LYS 7 2HB LYS 7 -19.514 -7.022 -2.511 44 HB3 LYS 7 3HB LYS 7 -18.627 -5.743 -3.327 45 HG2 LYS 7 2HG LYS 7 -21.024 -5.396 -3.500 46 HG3 LYS 7 3HG LYS 7 -20.309 -5.678 -5.086 47 HD2 LYS 7 2HD LYS 7 -21.036 -8.043 -4.941 48 HD3 LYS 7 3HD LYS 7 -21.838 -7.668 -3.415 49 HE2 LYS 7 2HE LYS 7 -23.264 -6.048 -4.548 50 HE3 LYS 7 3HE LYS 7 -22.440 -6.375 -6.073 51 HZ1 LYS 7 3HZ LYS 7 -24.550 -7.563 -5.882 52 HZ2 LYS 7 1HZ LYS 7 -23.983 -8.372 -4.504 53 HZ3 LYS 7 2HZ LYS 7 -23.244 -8.635 -6.008 54 H MET 8 HN MET 8 -16.769 -6.577 -5.792 55 HA MET 8 HA MET 8 -14.533 -7.490 -4.151 56 HB2 MET 8 2HB MET 8 -14.689 -6.584 -7.018 57 HB3 MET 8 3HB MET 8 -13.157 -6.745 -6.169 58 HG2 MET 8 2HG MET 8 -13.627 -9.107 -5.767 59 HG3 MET 8 3HG MET 8 -15.158 -8.949 -6.620 60 HE1 MET 8 3HE MET 8 -11.012 -8.512 -8.602 61 HE2 MET 8 1HE MET 8 -11.688 -7.286 -7.529 62 HE3 MET 8 2HE MET 8 -11.264 -8.875 -6.894 63 H ILE 9 HN ILE 9 -13.326 -6.174 -3.068 64 HA ILE 9 HA ILE 9 -13.863 -3.284 -3.229 65 HB ILE 9 HB ILE 9 -12.655 -4.923 -0.999 66 HG12 ILE 9 2HG1 ILE 9 -15.383 -3.659 -1.284 67 HG13 ILE 9 3HG1 ILE 9 -15.015 -5.380 -1.199 68 HG21 ILE 9 1HG2 ILE 9 -13.497 -2.049 -0.795 69 HG22 ILE 9 2HG2 ILE 9 -12.557 -3.017 0.357 70 HG23 ILE 9 3HG2 ILE 9 -11.847 -2.538 -1.191 71 HD11 ILE 9 3HD1 ILE 9 -14.180 -5.042 1.103 72 HD12 ILE 9 1HD1 ILE 9 -14.696 -3.357 1.002 73 HD13 ILE 9 2HD1 ILE 9 -15.890 -4.651 0.907 74 H GLU 10 HN GLU 10 -12.333 -2.240 -4.341 75 HA GLU 10 HA GLU 10 -9.780 -3.606 -4.755 76 HB2 GLU 10 2HB GLU 10 -11.074 -1.315 -6.267 77 HB3 GLU 10 3HB GLU 10 -9.505 -2.009 -6.654 78 HG2 GLU 10 2HG GLU 10 -11.696 -3.950 -6.492 79 HG3 GLU 10 3HG GLU 10 -11.854 -2.757 -7.780 80 H VAL 11 HN VAL 11 -8.011 -2.895 -3.756 81 HA VAL 11 HA VAL 11 -8.082 -0.187 -2.612 82 HB VAL 11 HB VAL 11 -6.883 -2.665 -1.348 83 HG11 VAL 11 1HG1 VAL 11 -6.407 -1.225 0.574 84 HG12 VAL 11 2HG1 VAL 11 -5.551 -0.680 -0.870 85 HG13 VAL 11 3HG1 VAL 11 -6.999 0.172 -0.327 86 HG21 VAL 11 3HG2 VAL 11 -9.254 -1.000 -0.514 87 HG22 VAL 11 1HG2 VAL 11 -9.317 -2.624 -1.198 88 HG23 VAL 11 2HG2 VAL 11 -8.582 -2.361 0.385 89 H VAL 12 HN VAL 12 -6.337 1.036 -3.004 90 HA VAL 12 HA VAL 12 -4.084 -0.258 -4.369 91 HB VAL 12 HB VAL 12 -3.477 2.154 -4.997 92 HG11 VAL 12 1HG1 VAL 12 -4.312 0.573 -6.622 93 HG12 VAL 12 2HG1 VAL 12 -5.972 0.862 -6.097 94 HG13 VAL 12 3HG1 VAL 12 -5.063 2.145 -6.897 95 HG21 VAL 12 3HG2 VAL 12 -6.355 2.573 -4.182 96 HG22 VAL 12 1HG2 VAL 12 -4.939 3.305 -3.427 97 HG23 VAL 12 2HG2 VAL 12 -5.373 3.726 -5.084 98 H ALA 13 HN ALA 13 -2.109 -0.248 -3.490 99 HA ALA 13 HA ALA 13 -1.831 1.060 -0.873 100 HB1 ALA 13 1HB ALA 13 -0.294 -0.706 -0.261 101 HB2 ALA 13 2HB ALA 13 -1.806 -1.421 -0.817 102 HB3 ALA 13 3HB ALA 13 -0.395 -1.406 -1.879 103 H ALA 14 HN ALA 14 -0.278 2.512 -0.643 104 HA ALA 14 HA ALA 14 1.493 2.980 -2.932 105 HB1 ALA 14 1HB ALA 14 1.710 5.244 -2.090 106 HB2 ALA 14 2HB ALA 14 0.005 4.820 -2.255 107 HB3 ALA 14 3HB ALA 14 0.762 4.827 -0.662 108 H ILE 15 HN ILE 15 3.383 2.005 -2.689 109 HA ILE 15 HA ILE 15 4.594 1.836 -0.035 110 HB ILE 15 HB ILE 15 5.347 0.601 -2.691 111 HG12 ILE 15 2HG1 ILE 15 4.159 -0.446 -0.130 112 HG13 ILE 15 3HG1 ILE 15 3.556 -0.620 -1.775 113 HG21 ILE 15 1HG2 ILE 15 7.359 1.230 -1.441 114 HG22 ILE 15 2HG2 ILE 15 6.777 0.300 -0.063 115 HG23 ILE 15 3HG2 ILE 15 7.175 -0.519 -1.571 116 HD11 ILE 15 3HD1 ILE 15 5.333 -2.171 -2.301 117 HD12 ILE 15 1HD1 ILE 15 6.038 -1.925 -0.683 118 HD13 ILE 15 2HD1 ILE 15 4.456 -2.706 -0.861 119 H ILE 16 HN ILE 16 5.457 3.810 0.436 120 HA ILE 16 HA ILE 16 6.710 5.328 -1.710 121 HB ILE 16 HB ILE 16 6.241 6.177 1.153 122 HG12 ILE 16 2HG1 ILE 16 4.503 6.517 -1.295 123 HG13 ILE 16 3HG1 ILE 16 4.108 5.608 0.158 124 HG21 ILE 16 1HG2 ILE 16 6.420 8.454 0.211 125 HG22 ILE 16 2HG2 ILE 16 7.904 7.518 0.003 126 HG23 ILE 16 3HG2 ILE 16 6.809 7.750 -1.360 127 HD11 ILE 16 3HD1 ILE 16 4.074 7.660 1.444 128 HD12 ILE 16 1HD1 ILE 16 4.509 8.579 0.003 129 HD13 ILE 16 2HD1 ILE 16 2.957 7.744 0.081 130 H GLU 17 HN GLU 17 8.747 4.821 -2.060 131 HA GLU 17 HA GLU 17 10.398 4.068 0.245 132 HB2 GLU 17 2HB GLU 17 9.979 2.237 -1.377 133 HB3 GLU 17 3HB GLU 17 10.717 3.215 -2.636 134 HG2 GLU 17 2HG GLU 17 12.799 3.248 -1.206 135 HG3 GLU 17 3HG GLU 17 12.027 2.005 -0.223 136 H ARG 18 HN ARG 18 12.104 5.268 0.648 137 HA ARG 18 HA ARG 18 13.169 6.983 -1.482 138 HB2 ARG 18 2HB ARG 18 11.625 8.239 0.118 139 HB3 ARG 18 3HB ARG 18 12.829 7.935 1.364 140 HG2 ARG 18 2HG ARG 18 13.256 10.102 0.566 141 HG3 ARG 18 3HG ARG 18 14.500 9.074 -0.149 142 HD2 ARG 18 2HD ARG 18 13.078 8.928 -2.208 143 HD3 ARG 18 3HD ARG 18 12.000 10.111 -1.476 144 HE ARG 18 HE ARG 18 14.304 11.426 -1.360 145 HH11 ARG 18 2HH1 ARG 18 12.894 9.555 -3.969 146 HH12 ARG 18 1HH1 ARG 18 13.624 10.522 -5.221 147 HH21 ARG 18 2HH2 ARG 18 15.276 12.692 -3.019 148 HH22 ARG 18 1HH2 ARG 18 14.979 12.277 -4.681 149 H ASP 19 HN ASP 19 15.222 6.539 -1.754 150 HA ASP 19 HA ASP 19 17.414 6.099 -1.373 151 HB2 ASP 19 2HB ASP 19 16.702 6.593 1.528 152 HB3 ASP 19 3HB ASP 19 18.340 6.341 0.928 153 H GLY 20 HN GLY 20 15.087 4.043 -0.932 154 HA2 GLY 20 2HA GLY 20 15.444 1.702 -0.996 155 HA3 GLY 20 3HA GLY 20 16.911 1.926 -0.056 156 H LYS 21 HN LYS 21 14.523 3.815 1.288 157 HA LYS 21 HA LYS 21 13.728 1.650 3.123 158 HB2 LYS 21 2HB LYS 21 13.806 4.585 3.807 159 HB3 LYS 21 3HB LYS 21 13.555 3.246 4.902 160 HG2 LYS 21 2HG LYS 21 16.008 2.699 3.762 161 HG3 LYS 21 3HG LYS 21 16.013 4.448 3.972 162 HD2 LYS 21 2HD LYS 21 15.567 4.279 6.287 163 HD3 LYS 21 3HD LYS 21 15.184 2.561 6.164 164 HE2 LYS 21 2HE LYS 21 17.352 2.782 7.143 165 HE3 LYS 21 3HE LYS 21 17.548 2.147 5.511 166 HZ1 LYS 21 3HZ LYS 21 17.901 4.997 6.278 167 HZ2 LYS 21 1HZ LYS 21 18.175 4.330 4.744 168 HZ3 LYS 21 2HZ LYS 21 19.161 3.885 6.047 169 H ILE 22 HN ILE 22 11.570 1.502 3.727 170 HA ILE 22 HA ILE 22 9.744 2.838 1.848 171 HB ILE 22 HB ILE 22 9.216 0.366 3.509 172 HG12 ILE 22 2HG1 ILE 22 10.121 0.554 0.627 173 HG13 ILE 22 3HG1 ILE 22 11.092 -0.032 1.974 174 HG21 ILE 22 1HG2 ILE 22 7.461 -0.015 1.715 175 HG22 ILE 22 2HG2 ILE 22 7.163 1.320 2.839 176 HG23 ILE 22 3HG2 ILE 22 7.764 1.655 1.216 177 HD11 ILE 22 3HD1 ILE 22 10.221 -1.876 0.676 178 HD12 ILE 22 1HD1 ILE 22 9.523 -1.878 2.296 179 HD13 ILE 22 2HD1 ILE 22 8.570 -1.299 0.925 180 H LEU 23 HN LEU 23 7.812 3.760 2.569 181 HA LEU 23 HA LEU 23 7.904 4.781 5.276 182 HB2 LEU 23 2HB LEU 23 7.429 6.254 3.346 183 HB3 LEU 23 3HB LEU 23 5.954 5.356 3.048 184 HG LEU 23 HG LEU 23 5.147 6.059 5.312 185 HD11 LEU 23 1HD1 LEU 23 6.287 7.956 6.381 186 HD12 LEU 23 2HD1 LEU 23 7.286 6.502 6.358 187 HD13 LEU 23 3HD1 LEU 23 7.600 7.806 5.214 188 HD21 LEU 23 3HD2 LEU 23 5.838 8.229 3.337 189 HD22 LEU 23 1HD2 LEU 23 4.394 7.216 3.328 190 HD23 LEU 23 2HD2 LEU 23 4.648 8.376 4.631 191 H LEU 24 HN LEU 24 6.960 3.814 6.864 192 HA LEU 24 HA LEU 24 4.508 2.237 6.381 193 HB2 LEU 24 2HB LEU 24 6.578 1.966 8.561 194 HB3 LEU 24 3HB LEU 24 5.022 1.166 8.613 195 HG LEU 24 HG LEU 24 5.662 0.035 6.434 196 HD11 LEU 24 1HD1 LEU 24 7.442 1.533 5.748 197 HD12 LEU 24 2HD1 LEU 24 8.384 1.081 7.170 198 HD13 LEU 24 3HD1 LEU 24 8.040 -0.118 5.923 199 HD21 LEU 24 3HD2 LEU 24 5.704 -1.139 8.554 200 HD22 LEU 24 1HD2 LEU 24 7.069 -1.633 7.551 201 HD23 LEU 24 2HD2 LEU 24 7.318 -0.512 8.889 202 H ALA 25 HN ALA 25 2.669 2.687 7.565 203 HA ALA 25 HA ALA 25 2.863 5.004 9.377 204 HB1 ALA 25 1HB ALA 25 0.532 4.357 7.584 205 HB2 ALA 25 2HB ALA 25 0.740 5.791 8.594 206 HB3 ALA 25 3HB ALA 25 1.795 5.527 7.204 207 H GLN 26 HN GLN 26 2.408 4.518 11.376 208 HA GLN 26 HA GLN 26 1.204 2.027 12.100 209 HB2 GLN 26 2HB GLN 26 2.980 3.014 13.460 210 HB3 GLN 26 3HB GLN 26 1.949 4.393 13.822 211 HG2 GLN 26 2HG GLN 26 0.343 2.801 14.891 212 HG3 GLN 26 3HG GLN 26 1.555 1.539 14.683 213 HE21 GLN 26 1HE2 GLN 26 0.711 4.452 16.375 214 HE22 GLN 26 2HE2 GLN 26 1.910 4.320 17.615 215 H ARG 27 HN ARG 27 -0.876 1.807 11.640 216 HA ARG 27 HA ARG 27 -2.851 2.571 13.364 217 HB2 ARG 27 2HB ARG 27 -2.557 4.895 12.508 218 HB3 ARG 27 3HB ARG 27 -2.947 4.323 10.890 219 HG2 ARG 27 2HG ARG 27 -4.913 5.300 11.738 220 HG3 ARG 27 3HG ARG 27 -5.160 3.554 11.825 221 HD2 ARG 27 2HD ARG 27 -4.305 3.744 14.228 222 HD3 ARG 27 3HD ARG 27 -4.553 5.480 14.047 223 HE ARG 27 HE ARG 27 -6.601 3.416 14.194 224 HH11 ARG 27 2HH1 ARG 27 -5.843 6.791 13.621 225 HH12 ARG 27 1HH1 ARG 27 -7.455 7.337 13.940 226 HH21 ARG 27 2HH2 ARG 27 -8.717 4.130 14.607 227 HH22 ARG 27 1HH2 ARG 27 -9.089 5.821 14.520 228 HA PRO 28 HA PRO 28 -4.430 -0.488 10.471 229 HB2 PRO 28 2HB PRO 28 -6.031 -1.780 12.132 230 HB3 PRO 28 3HB PRO 28 -4.285 -1.820 12.404 231 HG2 PRO 28 2HG PRO 28 -6.365 -0.115 13.724 232 HG3 PRO 28 3HG PRO 28 -5.047 -1.040 14.461 233 HD2 PRO 28 2HD PRO 28 -4.929 1.659 13.886 234 HD3 PRO 28 3HD PRO 28 -3.505 0.610 14.049 235 H ALA 29 HN ALA 29 -7.141 -1.341 10.895 236 HA ALA 29 HA ALA 29 -8.680 1.105 10.408 237 HB1 ALA 29 1HB ALA 29 -9.669 0.208 8.395 238 HB2 ALA 29 2HB ALA 29 -7.914 0.258 8.229 239 HB3 ALA 29 3HB ALA 29 -8.727 -1.272 8.560 240 H GLN 30 HN GLN 30 -9.030 -2.455 10.450 241 HA GLN 30 HA GLN 30 -11.664 -2.113 11.670 242 HB2 GLN 30 2HB GLN 30 -10.300 -4.612 10.652 243 HB3 GLN 30 3HB GLN 30 -11.941 -4.536 11.281 244 HG2 GLN 30 2HG GLN 30 -12.354 -2.804 9.435 245 HG3 GLN 30 3HG GLN 30 -10.850 -3.403 8.734 246 HE21 GLN 30 1HE2 GLN 30 -10.757 -5.532 7.974 247 HE22 GLN 30 2HE2 GLN 30 -12.190 -6.434 7.630 248 H SER 31 HN SER 31 -8.457 -3.098 12.456 249 HA SER 31 HA SER 31 -9.147 -4.534 14.831 250 HB2 SER 31 2HB SER 31 -7.043 -4.915 13.539 251 HB3 SER 31 3HB SER 31 -6.476 -3.328 14.055 252 HG SER 31 HG SER 31 -7.171 -5.487 15.771 253 H ASP 32 HN ASP 32 -8.073 -1.257 14.089 254 HA ASP 32 HA ASP 32 -7.884 0.646 15.293 255 HB2 ASP 32 2HB ASP 32 -10.191 -0.694 16.644 256 HB3 ASP 32 3HB ASP 32 -9.530 0.785 17.330 257 H GLN 33 HN GLN 33 -6.227 -1.672 16.008 258 HA GLN 33 HA GLN 33 -5.549 -0.872 18.751 259 HB2 GLN 33 2HB GLN 33 -4.839 -3.440 17.316 260 HB3 GLN 33 3HB GLN 33 -4.427 -3.038 18.980 261 HG2 GLN 33 2HG GLN 33 -6.842 -2.907 19.497 262 HG3 GLN 33 3HG GLN 33 -7.189 -3.434 17.854 263 HE21 GLN 33 1HE2 GLN 33 -8.240 -5.271 18.561 264 HE22 GLN 33 2HE2 GLN 33 -7.394 -6.629 19.212 265 H ALA 34 HN ALA 34 -3.609 0.008 19.131 266 HA ALA 34 HA ALA 34 -2.163 0.909 16.795 267 HB1 ALA 34 1HB ALA 34 -1.706 1.535 19.706 268 HB2 ALA 34 2HB ALA 34 -0.982 2.370 18.330 269 HB3 ALA 34 3HB ALA 34 -2.723 2.462 18.603 270 H GLY 35 HN GLY 35 0.132 0.806 16.606 271 HA2 GLY 35 2HA GLY 35 2.241 -0.070 17.457 272 HA3 GLY 35 3HA GLY 35 1.366 -1.490 17.986 273 H LEU 36 HN LEU 36 -0.212 -1.698 15.562 274 HA LEU 36 HA LEU 36 1.685 -2.982 13.877 275 HB2 LEU 36 2HB LEU 36 -1.289 -2.545 13.734 276 HB3 LEU 36 3HB LEU 36 -0.402 -3.370 12.469 277 HG LEU 36 HG LEU 36 0.208 -5.161 13.988 278 HD11 LEU 36 1HD1 LEU 36 -1.304 -3.633 16.107 279 HD12 LEU 36 2HD1 LEU 36 -0.644 -5.261 16.278 280 HD13 LEU 36 3HD1 LEU 36 0.441 -3.886 16.065 281 HD21 LEU 36 3HD2 LEU 36 -2.700 -4.455 14.211 282 HD22 LEU 36 1HD2 LEU 36 -1.940 -5.275 12.846 283 HD23 LEU 36 2HD2 LEU 36 -2.004 -6.061 14.425 284 H TRP 37 HN TRP 37 2.064 -2.563 11.689 285 HA TRP 37 HA TRP 37 1.586 0.230 10.867 286 HB2 TRP 37 2HB TRP 37 3.957 -1.514 10.142 287 HB3 TRP 37 3HB TRP 37 3.731 0.178 9.710 288 HD1 TRP 37 1HD TRP 37 4.389 -2.017 12.819 289 HE1 TRP 37 1HE TRP 37 5.572 -0.573 14.587 290 HE3 TRP 37 3HE TRP 37 4.219 2.505 10.433 291 HZ2 TRP 37 2HZ TRP 37 6.343 2.119 14.925 292 HZ3 TRP 37 3HZ TRP 37 5.206 4.464 11.550 293 HH2 TRP 37 2HH TRP 37 6.244 4.273 13.751 294 H GLU 38 HN GLU 38 1.202 0.571 8.636 295 HA GLU 38 HA GLU 38 0.968 -1.740 6.895 296 HB2 GLU 38 2HB GLU 38 -1.325 -1.065 6.166 297 HB3 GLU 38 3HB GLU 38 -1.259 -1.671 7.814 298 HG2 GLU 38 2HG GLU 38 -1.391 0.567 8.692 299 HG3 GLU 38 3HG GLU 38 -1.307 1.242 7.065 300 H PHE 39 HN PHE 39 0.479 -1.018 4.611 301 HA PHE 39 HA PHE 39 2.087 1.323 4.028 302 HB2 PHE 39 2HB PHE 39 0.649 -0.614 2.194 303 HB3 PHE 39 3HB PHE 39 1.680 0.700 1.643 304 HD1 PHE 39 1HD PHE 39 4.112 0.653 2.253 305 HD2 PHE 39 2HD PHE 39 1.512 -2.658 2.811 306 HE1 PHE 39 1HE PHE 39 6.046 -0.834 2.392 307 HE2 PHE 39 2HE PHE 39 3.438 -4.152 2.946 308 HZ PHE 39 HZ PHE 39 5.724 -3.252 2.743 309 H ALA 40 HN ALA 40 1.328 3.126 2.791 310 HA ALA 40 HA ALA 40 -1.286 3.970 3.637 311 HB1 ALA 40 1HB ALA 40 0.603 5.528 3.610 312 HB2 ALA 40 2HB ALA 40 0.714 5.360 1.857 313 HB3 ALA 40 3HB ALA 40 -0.715 6.094 2.583 314 H GLY 41 HN GLY 41 -2.768 5.056 1.966 315 HA2 GLY 41 2HA GLY 41 -2.943 4.869 -0.649 316 HA3 GLY 41 3HA GLY 41 -3.131 3.169 -0.233 317 H GLY 42 HN GLY 42 -5.219 2.864 -0.800 318 HA2 GLY 42 2HA GLY 42 -7.285 3.490 0.918 319 HA3 GLY 42 3HA GLY 42 -7.272 4.783 -0.270 320 H LYS 43 HN LYS 43 -9.498 3.474 -0.169 321 HA LYS 43 HA LYS 43 -9.604 1.189 -1.910 322 HB2 LYS 43 2HB LYS 43 -11.230 1.502 -0.105 323 HB3 LYS 43 3HB LYS 43 -11.783 2.996 -0.844 324 HG2 LYS 43 2HG LYS 43 -12.440 1.613 -2.854 325 HG3 LYS 43 3HG LYS 43 -12.145 0.191 -1.850 326 HD2 LYS 43 2HD LYS 43 -13.812 0.892 -0.271 327 HD3 LYS 43 3HD LYS 43 -14.020 2.427 -1.109 328 HE2 LYS 43 2HE LYS 43 -14.740 1.106 -3.124 329 HE3 LYS 43 3HE LYS 43 -14.761 -0.320 -2.087 330 HZ1 LYS 43 3HZ LYS 43 -16.396 2.138 -1.761 331 HZ2 LYS 43 1HZ LYS 43 -16.361 0.856 -0.651 332 HZ3 LYS 43 2HZ LYS 43 -16.952 0.608 -2.221 333 H VAL 44 HN VAL 44 -10.652 1.125 -3.962 334 HA VAL 44 HA VAL 44 -10.478 3.659 -5.458 335 HB VAL 44 HB VAL 44 -10.256 0.835 -6.525 336 HG11 VAL 44 1HG1 VAL 44 -11.209 2.382 -8.144 337 HG12 VAL 44 2HG1 VAL 44 -9.858 3.489 -7.900 338 HG13 VAL 44 3HG1 VAL 44 -9.580 1.903 -8.621 339 HG21 VAL 44 3HG2 VAL 44 -7.904 1.325 -6.891 340 HG22 VAL 44 1HG2 VAL 44 -8.109 2.915 -6.155 341 HG23 VAL 44 2HG2 VAL 44 -8.315 1.458 -5.181 342 H GLU 45 HN GLU 45 -12.482 4.466 -5.658 343 HA GLU 45 HA GLU 45 -14.781 2.699 -5.818 344 HB2 GLU 45 2HB GLU 45 -14.443 5.129 -4.695 345 HB3 GLU 45 3HB GLU 45 -15.050 5.628 -6.265 346 HG2 GLU 45 2HG GLU 45 -16.847 5.468 -4.658 347 HG3 GLU 45 3HG GLU 45 -17.047 4.266 -5.934 348 HA PRO 46 HA PRO 46 -14.927 2.459 -10.220 349 HB2 PRO 46 2HB PRO 46 -17.621 2.566 -10.707 350 HB3 PRO 46 3HB PRO 46 -16.774 1.134 -10.117 351 HG2 PRO 46 2HG PRO 46 -18.332 3.179 -8.584 352 HG3 PRO 46 3HG PRO 46 -18.334 1.413 -8.415 353 HD2 PRO 46 2HD PRO 46 -16.972 2.979 -6.722 354 HD3 PRO 46 3HD PRO 46 -16.340 1.402 -7.233 355 H ASP 47 HN ASP 47 -15.345 5.309 -8.772 356 HA ASP 47 HA ASP 47 -16.070 6.685 -11.273 357 HB2 ASP 47 2HB ASP 47 -16.539 7.442 -8.402 358 HB3 ASP 47 3HB ASP 47 -16.472 8.678 -9.653 359 H GLU 48 HN GLU 48 -13.489 5.670 -9.829 360 HA GLU 48 HA GLU 48 -11.907 7.921 -10.796 361 HB2 GLU 48 2HB GLU 48 -10.512 8.049 -8.827 362 HB3 GLU 48 3HB GLU 48 -12.189 8.317 -8.381 363 HG2 GLU 48 2HG GLU 48 -12.260 5.874 -7.726 364 HG3 GLU 48 3HG GLU 48 -10.503 5.891 -7.881 365 H SER 49 HN SER 49 -9.504 7.318 -10.758 366 HA SER 49 HA SER 49 -9.265 4.549 -11.700 367 HB2 SER 49 2HB SER 49 -8.747 6.328 -13.352 368 HB3 SER 49 3HB SER 49 -7.476 6.926 -12.284 369 HG SER 49 HG SER 49 -7.382 4.924 -14.080 370 H GLN 50 HN GLN 50 -7.077 3.540 -11.309 371 HA GLN 50 HA GLN 50 -6.650 3.327 -8.555 372 HB2 GLN 50 2HB GLN 50 -4.821 2.516 -10.813 373 HB3 GLN 50 3HB GLN 50 -4.650 1.996 -9.143 374 HG2 GLN 50 2HG GLN 50 -6.911 0.962 -9.311 375 HG3 GLN 50 3HG GLN 50 -6.901 1.354 -11.031 376 HE21 GLN 50 1HE2 GLN 50 -5.460 0.289 -12.398 377 HE22 GLN 50 2HE2 GLN 50 -4.699 -1.198 -11.934 378 H ARG 51 HN ARG 51 -4.636 4.943 -11.028 379 HA ARG 51 HA ARG 51 -2.661 5.848 -9.257 380 HB2 ARG 51 2HB ARG 51 -3.575 7.296 -11.747 381 HB3 ARG 51 3HB ARG 51 -2.023 7.463 -10.940 382 HG2 ARG 51 2HG ARG 51 -1.588 5.058 -11.477 383 HG3 ARG 51 3HG ARG 51 -3.046 5.091 -12.474 384 HD2 ARG 51 2HD ARG 51 -2.041 7.041 -13.698 385 HD3 ARG 51 3HD ARG 51 -0.547 6.739 -12.814 386 HE ARG 51 HE ARG 51 -1.718 4.581 -14.421 387 HH11 ARG 51 2HH1 ARG 51 0.878 6.875 -13.864 388 HH12 ARG 51 1HH1 ARG 51 1.916 6.190 -15.082 389 HH21 ARG 51 2HH2 ARG 51 -0.366 3.693 -16.025 390 HH22 ARG 51 1HH2 ARG 51 1.200 4.384 -16.322 391 H GLN 52 HN GLN 52 -5.784 7.203 -10.134 392 HA GLN 52 HA GLN 52 -5.319 9.781 -9.010 393 HB2 GLN 52 2HB GLN 52 -6.979 9.547 -10.733 394 HB3 GLN 52 3HB GLN 52 -7.824 8.303 -9.827 395 HG2 GLN 52 2HG GLN 52 -9.112 10.249 -9.619 396 HG3 GLN 52 3HG GLN 52 -8.281 10.045 -8.080 397 HE21 GLN 52 1HE2 GLN 52 -8.537 11.944 -10.976 398 HE22 GLN 52 2HE2 GLN 52 -7.636 13.309 -10.389 399 H ALA 53 HN ALA 53 -6.907 6.815 -7.920 400 HA ALA 53 HA ALA 53 -7.894 7.729 -5.477 401 HB1 ALA 53 1HB ALA 53 -8.515 5.580 -6.479 402 HB2 ALA 53 2HB ALA 53 -6.897 4.961 -6.145 403 HB3 ALA 53 3HB ALA 53 -7.969 5.390 -4.812 404 H LEU 54 HN LEU 54 -4.748 6.184 -6.211 405 HA LEU 54 HA LEU 54 -3.718 6.243 -3.609 406 HB2 LEU 54 2HB LEU 54 -2.421 6.290 -6.323 407 HB3 LEU 54 3HB LEU 54 -1.473 6.294 -4.848 408 HG LEU 54 HG LEU 54 -3.507 4.146 -5.330 409 HD11 LEU 54 1HD1 LEU 54 -1.752 2.766 -6.307 410 HD12 LEU 54 2HD1 LEU 54 -2.075 4.180 -7.311 411 HD13 LEU 54 3HD1 LEU 54 -0.647 4.139 -6.279 412 HD21 LEU 54 3HD2 LEU 54 -2.558 4.399 -3.095 413 HD22 LEU 54 1HD2 LEU 54 -2.025 2.897 -3.850 414 HD23 LEU 54 2HD2 LEU 54 -0.933 4.277 -3.768 415 H VAL 55 HN VAL 55 -3.522 8.568 -6.240 416 HA VAL 55 HA VAL 55 -1.744 10.371 -5.051 417 HB VAL 55 HB VAL 55 -3.832 10.746 -7.193 418 HG11 VAL 55 1HG1 VAL 55 -1.787 12.757 -6.258 419 HG12 VAL 55 2HG1 VAL 55 -2.812 12.915 -7.686 420 HG13 VAL 55 3HG1 VAL 55 -3.537 12.891 -6.078 421 HG21 VAL 55 3HG2 VAL 55 -1.925 9.339 -7.765 422 HG22 VAL 55 1HG2 VAL 55 -1.873 10.856 -8.662 423 HG23 VAL 55 2HG2 VAL 55 -0.816 10.617 -7.269 424 H ARG 56 HN ARG 56 -5.329 10.392 -5.091 425 HA ARG 56 HA ARG 56 -5.469 12.837 -3.648 426 HB2 ARG 56 2HB ARG 56 -7.848 12.421 -3.407 427 HB3 ARG 56 3HB ARG 56 -7.333 12.094 -5.052 428 HG2 ARG 56 2HG ARG 56 -7.786 9.876 -4.902 429 HG3 ARG 56 3HG ARG 56 -7.431 9.802 -3.174 430 HD2 ARG 56 2HD ARG 56 -9.506 10.883 -2.643 431 HD3 ARG 56 3HD ARG 56 -9.846 11.167 -4.348 432 HE ARG 56 HE ARG 56 -9.960 8.653 -4.529 433 HH11 ARG 56 2HH1 ARG 56 -10.583 10.305 -1.498 434 HH12 ARG 56 1HH1 ARG 56 -11.723 9.125 -0.939 435 HH21 ARG 56 2HH2 ARG 56 -11.482 7.100 -3.808 436 HH22 ARG 56 1HH2 ARG 56 -12.226 7.294 -2.248 437 H GLU 57 HN GLU 57 -5.750 9.440 -2.635 438 HA GLU 57 HA GLU 57 -6.437 9.998 0.018 439 HB2 GLU 57 2HB GLU 57 -5.019 7.593 -1.142 440 HB3 GLU 57 3HB GLU 57 -5.653 7.676 0.497 441 HG2 GLU 57 2HG GLU 57 -7.294 7.952 -2.015 442 HG3 GLU 57 3HG GLU 57 -7.152 6.488 -1.042 443 H LEU 58 HN LEU 58 -3.225 9.574 -1.480 444 HA LEU 58 HA LEU 58 -1.826 9.832 0.995 445 HB2 LEU 58 2HB LEU 58 -0.749 10.530 -1.724 446 HB3 LEU 58 3HB LEU 58 0.170 10.113 -0.296 447 HG LEU 58 HG LEU 58 -1.520 8.273 -1.967 448 HD11 LEU 58 1HD1 LEU 58 0.658 8.773 -2.899 449 HD12 LEU 58 2HD1 LEU 58 1.429 8.346 -1.370 450 HD13 LEU 58 3HD1 LEU 58 0.603 7.108 -2.318 451 HD21 LEU 58 3HD2 LEU 58 -0.892 6.490 -0.449 452 HD22 LEU 58 1HD2 LEU 58 -0.062 7.650 0.590 453 HD23 LEU 58 2HD2 LEU 58 -1.813 7.736 0.395 454 H ARG 59 HN ARG 59 -2.894 12.076 -1.480 455 HA ARG 59 HA ARG 59 -1.773 14.428 -0.545 456 HB2 ARG 59 2HB ARG 59 -2.904 14.386 -2.634 457 HB3 ARG 59 3HB ARG 59 -4.398 13.834 -1.896 458 HG2 ARG 59 2HG ARG 59 -4.702 15.992 -0.837 459 HG3 ARG 59 3HG ARG 59 -3.161 16.548 -1.503 460 HD2 ARG 59 2HD ARG 59 -3.981 16.314 -3.741 461 HD3 ARG 59 3HD ARG 59 -5.471 15.573 -3.167 462 HE ARG 59 HE ARG 59 -5.962 17.781 -2.122 463 HH11 ARG 59 2HH1 ARG 59 -3.588 17.641 -4.685 464 HH12 ARG 59 1HH1 ARG 59 -4.061 19.170 -5.379 465 HH21 ARG 59 2HH2 ARG 59 -6.572 19.809 -3.013 466 HH22 ARG 59 1HH2 ARG 59 -5.734 20.408 -4.414 467 H GLU 60 HN GLU 60 -4.601 12.687 0.630 468 HA GLU 60 HA GLU 60 -5.262 14.844 2.464 469 HB2 GLU 60 2HB GLU 60 -6.599 12.163 2.107 470 HB3 GLU 60 3HB GLU 60 -7.212 13.508 3.062 471 HG2 GLU 60 2HG GLU 60 -6.991 14.796 0.785 472 HG3 GLU 60 3HG GLU 60 -7.080 13.176 0.111 473 H GLU 61 HN GLU 61 -3.923 11.578 2.597 474 HA GLU 61 HA GLU 61 -3.881 11.644 5.502 475 HB2 GLU 61 2HB GLU 61 -3.021 9.559 3.499 476 HB3 GLU 61 3HB GLU 61 -2.698 9.419 5.228 477 HG2 GLU 61 2HG GLU 61 -5.464 9.838 4.209 478 HG3 GLU 61 3HG GLU 61 -4.732 8.231 4.345 479 H LEU 62 HN LEU 62 -1.509 11.577 2.845 480 HA LEU 62 HA LEU 62 0.618 11.923 4.844 481 HB2 LEU 62 2HB LEU 62 0.914 11.145 1.948 482 HB3 LEU 62 3HB LEU 62 2.137 11.058 3.199 483 HG LEU 62 HG LEU 62 -0.341 9.343 2.997 484 HD11 LEU 62 1HD1 LEU 62 1.248 7.533 2.640 485 HD12 LEU 62 2HD1 LEU 62 1.404 8.775 1.398 486 HD13 LEU 62 3HD1 LEU 62 2.584 8.683 2.706 487 HD21 LEU 62 3HD2 LEU 62 0.208 9.834 5.334 488 HD22 LEU 62 1HD2 LEU 62 0.541 8.148 4.935 489 HD23 LEU 62 2HD2 LEU 62 1.866 9.304 5.056 490 H GLY 63 HN GLY 63 -1.225 13.948 3.256 491 HA2 GLY 63 2HA GLY 63 -1.042 15.931 2.128 492 HA3 GLY 63 3HA GLY 63 0.270 16.179 3.260 493 H ILE 64 HN ILE 64 0.287 13.851 0.551 494 HA ILE 64 HA ILE 64 2.189 15.651 -0.791 495 HB ILE 64 HB ILE 64 3.564 13.726 -1.487 496 HG12 ILE 64 2HG1 ILE 64 1.922 12.167 0.522 497 HG13 ILE 64 3HG1 ILE 64 1.859 11.971 -1.229 498 HG21 ILE 64 1HG2 ILE 64 4.686 13.369 0.672 499 HG22 ILE 64 2HG2 ILE 64 4.295 15.062 0.374 500 HG23 ILE 64 3HG2 ILE 64 3.310 14.113 1.487 501 HD11 ILE 64 3HD1 ILE 64 4.280 11.472 0.501 502 HD12 ILE 64 1HD1 ILE 64 3.209 10.234 -0.155 503 HD13 ILE 64 2HD1 ILE 64 4.176 11.230 -1.243 504 H GLU 65 HN GLU 65 2.207 15.674 -2.978 505 HA GLU 65 HA GLU 65 0.034 14.313 -4.380 506 HB2 GLU 65 2HB GLU 65 2.108 16.252 -5.433 507 HB3 GLU 65 3HB GLU 65 0.700 15.681 -6.302 508 HG2 GLU 65 2HG GLU 65 0.418 17.150 -3.719 509 HG3 GLU 65 3HG GLU 65 0.649 18.015 -5.239 510 H ALA 66 HN ALA 66 0.525 12.243 -4.837 511 HA ALA 66 HA ALA 66 3.286 11.461 -5.222 512 HB1 ALA 66 1HB ALA 66 1.832 10.118 -3.795 513 HB2 ALA 66 2HB ALA 66 0.786 9.780 -5.174 514 HB3 ALA 66 3HB ALA 66 2.444 9.181 -5.157 515 H THR 67 HN THR 67 4.110 10.421 -7.013 516 HA THR 67 HA THR 67 2.605 10.780 -9.516 517 HB THR 67 HB THR 67 5.590 10.461 -9.094 518 HG1 THR 67 1HG THR 67 5.592 12.572 -8.939 519 HG21 THR 67 3HG2 THR 67 4.858 9.523 -11.238 520 HG22 THR 67 1HG2 THR 67 5.792 11.001 -11.475 521 HG23 THR 67 2HG2 THR 67 4.035 11.036 -11.622 522 H VAL 68 HN VAL 68 1.533 8.901 -9.951 523 HA VAL 68 HA VAL 68 2.605 6.384 -9.019 524 HB VAL 68 HB VAL 68 0.099 6.878 -10.638 525 HG11 VAL 68 1HG1 VAL 68 -0.629 4.728 -9.684 526 HG12 VAL 68 2HG1 VAL 68 0.815 4.564 -10.683 527 HG13 VAL 68 3HG1 VAL 68 0.953 4.546 -8.925 528 HG21 VAL 68 3HG2 VAL 68 0.426 6.724 -7.643 529 HG22 VAL 68 1HG2 VAL 68 0.049 8.176 -8.572 530 HG23 VAL 68 2HG2 VAL 68 -1.105 6.842 -8.512 531 H GLY 69 HN GLY 69 3.616 4.845 -10.286 532 HA2 GLY 69 2HA GLY 69 3.210 4.453 -12.999 533 HA3 GLY 69 3HA GLY 69 4.528 5.590 -12.863 534 H GLU 70 HN GLU 70 3.528 2.414 -11.478 535 HA GLU 70 HA GLU 70 5.293 0.757 -12.490 536 HB2 GLU 70 2HB GLU 70 7.204 0.523 -10.926 537 HB3 GLU 70 3HB GLU 70 7.245 1.994 -11.879 538 HG2 GLU 70 2HG GLU 70 6.401 3.242 -9.939 539 HG3 GLU 70 3HG GLU 70 6.450 1.754 -8.990 540 H TYR 71 HN TYR 71 4.053 -0.890 -12.073 541 HA TYR 71 HA TYR 71 2.729 -1.232 -9.519 542 HB2 TYR 71 2HB TYR 71 1.665 -1.544 -11.788 543 HB3 TYR 71 3HB TYR 71 2.649 -2.985 -11.981 544 HD1 TYR 71 1HD TYR 71 0.065 -1.478 -9.759 545 HD2 TYR 71 2HD TYR 71 1.845 -5.041 -11.254 546 HE1 TYR 71 1HE TYR 71 -1.721 -2.803 -8.714 547 HE2 TYR 71 2HE TYR 71 0.065 -6.375 -10.208 548 HH TYR 71 HH TYR 71 -1.574 -6.224 -8.473 549 H VAL 72 HN VAL 72 3.369 -2.613 -7.916 550 HA VAL 72 HA VAL 72 5.715 -4.294 -8.418 551 HB VAL 72 HB VAL 72 4.330 -3.560 -5.832 552 HG11 VAL 72 1HG1 VAL 72 6.845 -5.165 -6.279 553 HG12 VAL 72 2HG1 VAL 72 6.295 -4.560 -4.719 554 HG13 VAL 72 3HG1 VAL 72 5.328 -5.752 -5.590 555 HG21 VAL 72 3HG2 VAL 72 5.497 -1.694 -6.861 556 HG22 VAL 72 1HG2 VAL 72 6.342 -2.232 -5.410 557 HG23 VAL 72 2HG2 VAL 72 6.964 -2.667 -7.001 558 H ALA 73 HN ALA 73 2.866 -4.817 -6.312 559 HA ALA 73 HA ALA 73 2.262 -7.307 -7.713 560 HB1 ALA 73 1HB ALA 73 2.505 -8.715 -5.743 561 HB2 ALA 73 2HB ALA 73 4.043 -7.970 -6.178 562 HB3 ALA 73 3HB ALA 73 3.110 -7.340 -4.820 563 H SER 74 HN SER 74 0.471 -8.532 -6.290 564 HA SER 74 HA SER 74 -1.254 -6.610 -4.935 565 HB2 SER 74 2HB SER 74 -3.212 -7.590 -6.269 566 HB3 SER 74 3HB SER 74 -2.158 -6.454 -7.110 567 HG SER 74 HG SER 74 -1.171 -8.931 -7.396 568 H HIS 75 HN HIS 75 -2.839 -7.578 -3.579 569 HA HIS 75 HA HIS 75 -2.604 -10.477 -3.206 570 HB2 HIS 75 2HB HIS 75 -1.108 -9.391 -1.558 571 HB3 HIS 75 3HB HIS 75 -2.477 -8.469 -0.947 572 HD1 HIS 75 1HD HIS 75 -3.146 -9.421 1.225 573 HD2 HIS 75 2HD HIS 75 -2.085 -12.387 -1.481 574 HE1 HIS 75 1HE HIS 75 -3.547 -11.596 2.420 575 HE2 HIS 75 2HE HIS 75 -3.018 -13.385 0.726 576 H GLN 76 HN GLN 76 -4.479 -11.479 -2.762 577 HA GLN 76 HA GLN 76 -6.867 -9.805 -2.460 578 HB2 GLN 76 2HB GLN 76 -6.425 -12.590 -3.466 579 HB3 GLN 76 3HB GLN 76 -8.012 -12.102 -2.892 580 HG2 GLN 76 2HG GLN 76 -7.990 -10.252 -4.516 581 HG3 GLN 76 3HG GLN 76 -6.449 -10.849 -5.135 582 HE21 GLN 76 1HE2 GLN 76 -9.044 -10.572 -6.468 583 HE22 GLN 76 2HE2 GLN 76 -9.444 -12.143 -7.066 584 H ARG 77 HN ARG 77 -8.246 -9.993 -0.811 585 HA ARG 77 HA ARG 77 -8.175 -12.258 0.983 586 HB2 ARG 77 2HB ARG 77 -7.998 -10.918 3.025 587 HB3 ARG 77 3HB ARG 77 -6.547 -10.720 2.050 588 HG2 ARG 77 2HG ARG 77 -7.374 -8.572 1.244 589 HG3 ARG 77 3HG ARG 77 -8.845 -8.779 2.201 590 HD2 ARG 77 2HD ARG 77 -7.583 -8.727 4.248 591 HD3 ARG 77 3HD ARG 77 -6.064 -8.718 3.361 592 HE ARG 77 HE ARG 77 -7.165 -6.494 2.442 593 HH11 ARG 77 2HH1 ARG 77 -7.100 -7.692 5.738 594 HH12 ARG 77 1HH1 ARG 77 -6.980 -6.107 6.442 595 HH21 ARG 77 2HH2 ARG 77 -6.975 -4.407 3.374 596 HH22 ARG 77 1HH2 ARG 77 -6.878 -4.244 5.095 597 H GLU 78 HN GLU 78 -10.136 -11.853 2.627 598 HA GLU 78 HA GLU 78 -12.126 -10.263 1.161 599 HB2 GLU 78 2HB GLU 78 -13.836 -11.866 1.605 600 HB3 GLU 78 3HB GLU 78 -12.471 -12.722 0.905 601 HG2 GLU 78 2HG GLU 78 -11.808 -13.487 3.117 602 HG3 GLU 78 3HG GLU 78 -13.164 -12.613 3.827 603 H VAL 79 HN VAL 79 -13.746 -9.264 2.330 604 HA VAL 79 HA VAL 79 -13.332 -9.155 5.229 605 HB VAL 79 HB VAL 79 -12.612 -7.019 4.456 606 HG11 VAL 79 1HG1 VAL 79 -14.057 -5.544 3.090 607 HG12 VAL 79 2HG1 VAL 79 -13.509 -6.985 2.231 608 HG13 VAL 79 3HG1 VAL 79 -15.158 -6.903 2.856 609 HG21 VAL 79 3HG2 VAL 79 -15.437 -6.809 5.481 610 HG22 VAL 79 1HG2 VAL 79 -13.971 -6.949 6.454 611 HG23 VAL 79 2HG2 VAL 79 -14.250 -5.504 5.480 612 H SER 80 HN SER 80 -14.872 -10.602 5.751 613 HA SER 80 HA SER 80 -16.877 -11.658 5.898 614 HB2 SER 80 2HB SER 80 -17.864 -8.796 5.857 615 HB3 SER 80 3HB SER 80 -18.772 -10.187 6.454 616 HG SER 80 HG SER 80 -17.157 -10.491 8.031 617 H GLY 81 HN GLY 81 -16.442 -12.432 3.607 618 HA2 GLY 81 2HA GLY 81 -17.648 -13.239 1.806 619 HA3 GLY 81 3HA GLY 81 -18.895 -12.053 2.137 620 H ARG 82 HN ARG 82 -16.688 -9.891 2.027 621 HA ARG 82 HA ARG 82 -16.894 -9.625 -0.888 622 HB2 ARG 82 2HB ARG 82 -16.273 -7.541 1.213 623 HB3 ARG 82 3HB ARG 82 -16.427 -7.229 -0.514 624 HG2 ARG 82 2HG ARG 82 -18.748 -8.139 -0.373 625 HG3 ARG 82 3HG ARG 82 -18.562 -8.166 1.379 626 HD2 ARG 82 2HD ARG 82 -18.171 -5.752 1.371 627 HD3 ARG 82 3HD ARG 82 -18.359 -5.727 -0.385 628 HE ARG 82 HE ARG 82 -20.586 -6.852 1.085 629 HH11 ARG 82 2HH1 ARG 82 -19.214 -3.964 -0.348 630 HH12 ARG 82 1HH1 ARG 82 -20.742 -3.152 -0.485 631 HH21 ARG 82 2HH2 ARG 82 -22.592 -5.823 0.879 632 HH22 ARG 82 1HH2 ARG 82 -22.677 -4.217 0.205 633 H ILE 83 HN ILE 83 -15.141 -9.330 -2.209 634 HA ILE 83 HA ILE 83 -12.665 -10.328 -1.019 635 HB ILE 83 HB ILE 83 -13.667 -10.279 -3.862 636 HG12 ILE 83 2HG1 ILE 83 -13.156 -12.749 -3.657 637 HG13 ILE 83 3HG1 ILE 83 -12.871 -12.476 -1.944 638 HG21 ILE 83 1HG2 ILE 83 -11.542 -11.269 -4.563 639 HG22 ILE 83 2HG2 ILE 83 -11.322 -9.639 -3.928 640 HG23 ILE 83 3HG2 ILE 83 -10.899 -11.036 -2.937 641 HD11 ILE 83 3HD1 ILE 83 -15.186 -11.720 -1.698 642 HD12 ILE 83 1HD1 ILE 83 -15.458 -12.028 -3.413 643 HD13 ILE 83 2HD1 ILE 83 -15.085 -13.365 -2.325 644 H ILE 84 HN ILE 84 -11.240 -8.871 -0.439 645 HA ILE 84 HA ILE 84 -11.111 -6.296 -1.798 646 HB ILE 84 HB ILE 84 -9.054 -6.595 0.183 647 HG12 ILE 84 2HG1 ILE 84 -11.811 -7.478 0.963 648 HG13 ILE 84 3HG1 ILE 84 -10.254 -8.161 1.431 649 HG21 ILE 84 1HG2 ILE 84 -10.092 -4.501 -0.660 650 HG22 ILE 84 2HG2 ILE 84 -11.549 -4.926 0.249 651 HG23 ILE 84 3HG2 ILE 84 -10.035 -4.624 1.101 652 HD11 ILE 84 3HD1 ILE 84 -11.373 -5.513 2.336 653 HD12 ILE 84 1HD1 ILE 84 -11.306 -7.008 3.289 654 HD13 ILE 84 2HD1 ILE 84 -9.812 -6.204 2.815 655 H HIS 85 HN HIS 85 -9.482 -5.639 -3.035 656 HA HIS 85 HA HIS 85 -7.357 -7.598 -3.632 657 HB2 HIS 85 2HB HIS 85 -9.179 -7.518 -5.342 658 HB3 HIS 85 3HB HIS 85 -8.821 -5.819 -5.595 659 HD1 HIS 85 1HD HIS 85 -7.951 -5.813 -7.894 660 HD2 HIS 85 2HD HIS 85 -6.159 -8.746 -5.554 661 HE1 HIS 85 1HE HIS 85 -6.125 -6.807 -9.325 662 HE2 HIS 85 2HE HIS 85 -5.256 -8.755 -7.982 663 H LEU 86 HN LEU 86 -5.641 -6.651 -2.663 664 HA LEU 86 HA LEU 86 -5.300 -3.767 -2.791 665 HB2 LEU 86 2HB LEU 86 -3.947 -5.967 -1.284 666 HB3 LEU 86 3HB LEU 86 -3.160 -4.411 -1.434 667 HG LEU 86 HG LEU 86 -5.365 -3.443 -0.498 668 HD11 LEU 86 1HD1 LEU 86 -6.702 -5.462 -0.723 669 HD12 LEU 86 2HD1 LEU 86 -5.632 -6.306 0.398 670 HD13 LEU 86 3HD1 LEU 86 -6.605 -4.947 0.962 671 HD21 LEU 86 3HD2 LEU 86 -4.592 -3.856 1.812 672 HD22 LEU 86 1HD2 LEU 86 -3.469 -5.064 1.188 673 HD23 LEU 86 2HD2 LEU 86 -3.296 -3.375 0.717 674 H HIS 87 HN HIS 87 -3.996 -2.711 -4.090 675 HA HIS 87 HA HIS 87 -2.159 -4.233 -5.833 676 HB2 HIS 87 2HB HIS 87 -3.234 -1.436 -6.261 677 HB3 HIS 87 3HB HIS 87 -2.363 -2.424 -7.423 678 HD1 HIS 87 1HD HIS 87 -5.721 -2.189 -5.713 679 HD2 HIS 87 2HD HIS 87 -3.942 -4.043 -8.978 680 HE1 HIS 87 1HE HIS 87 -7.614 -3.138 -7.061 681 HE2 HIS 87 2HE HIS 87 -6.524 -3.999 -9.165 682 H ALA 88 HN ALA 88 -0.062 -4.056 -5.170 683 HA ALA 88 HA ALA 88 0.710 -1.766 -3.543 684 HB1 ALA 88 1HB ALA 88 1.391 -3.971 -2.789 685 HB2 ALA 88 2HB ALA 88 2.267 -4.236 -4.300 686 HB3 ALA 88 3HB ALA 88 2.805 -2.987 -3.175 687 H TRP 89 HN TRP 89 1.561 -0.033 -4.371 688 HA TRP 89 HA TRP 89 3.055 -0.219 -6.903 689 HB2 TRP 89 2HB TRP 89 1.263 1.055 -7.564 690 HB3 TRP 89 3HB TRP 89 0.969 1.678 -5.947 691 HD1 TRP 89 1HD TRP 89 3.632 2.205 -8.749 692 HE1 TRP 89 1HE TRP 89 4.287 4.694 -8.729 693 HE3 TRP 89 3HE TRP 89 0.762 3.782 -4.826 694 HZ2 TRP 89 2HZ TRP 89 3.645 7.020 -7.278 695 HZ3 TRP 89 3HZ TRP 89 0.828 6.156 -4.196 696 HH2 TRP 89 2HH TRP 89 2.242 7.740 -5.398 697 H HIS 90 HN HIS 90 5.078 0.541 -6.912 698 HA HIS 90 HA HIS 90 6.224 1.600 -4.457 699 HB2 HIS 90 2HB HIS 90 7.509 -0.080 -5.671 700 HB3 HIS 90 3HB HIS 90 7.450 0.884 -7.139 701 HD1 HIS 90 1HD HIS 90 9.413 2.336 -7.556 702 HD2 HIS 90 2HD HIS 90 9.125 1.222 -3.564 703 HE1 HIS 90 1HE HIS 90 11.506 3.200 -6.460 704 HE2 HIS 90 2HE HIS 90 11.440 2.239 -4.132 705 H VAL 91 HN VAL 91 6.587 3.741 -4.102 706 HA VAL 91 HA VAL 91 5.591 5.566 -6.136 707 HB VAL 91 HB VAL 91 6.594 6.186 -3.345 708 HG11 VAL 91 1HG1 VAL 91 5.302 8.248 -3.579 709 HG12 VAL 91 2HG1 VAL 91 6.550 8.130 -4.820 710 HG13 VAL 91 3HG1 VAL 91 4.866 7.792 -5.226 711 HG21 VAL 91 3HG2 VAL 91 4.219 6.212 -2.692 712 HG22 VAL 91 1HG2 VAL 91 3.785 5.635 -4.301 713 HG23 VAL 91 2HG2 VAL 91 4.745 4.617 -3.229 714 HA PRO 92 HA PRO 92 9.869 6.269 -7.352 715 HB2 PRO 92 2HB PRO 92 9.259 7.615 -9.628 716 HB3 PRO 92 3HB PRO 92 9.203 5.853 -9.514 717 HG2 PRO 92 2HG PRO 92 6.969 7.834 -9.413 718 HG3 PRO 92 3HG PRO 92 7.012 6.235 -10.189 719 HD2 PRO 92 2HD PRO 92 5.834 6.740 -7.768 720 HD3 PRO 92 3HD PRO 92 6.474 5.159 -8.249 721 H ASP 93 HN ASP 93 7.280 8.665 -7.193 722 HA ASP 93 HA ASP 93 9.110 10.659 -6.144 723 HB2 ASP 93 2HB ASP 93 9.387 11.070 -8.502 724 HB3 ASP 93 3HB ASP 93 7.653 10.979 -8.767 725 H PHE 94 HN PHE 94 8.121 12.173 -4.937 726 HA PHE 94 HA PHE 94 5.213 12.443 -4.981 727 HB2 PHE 94 2HB PHE 94 5.107 12.278 -2.498 728 HB3 PHE 94 3HB PHE 94 5.582 10.764 -3.256 729 HD1 PHE 94 2HD PHE 94 7.952 10.017 -3.131 730 HD2 PHE 94 1HD PHE 94 6.540 13.420 -1.008 731 HE1 PHE 94 2HE PHE 94 9.954 9.950 -1.698 732 HE2 PHE 94 1HE PHE 94 8.537 13.360 0.423 733 HZ PHE 94 HZ PHE 94 10.248 11.626 0.082 734 H HIS 95 HN HIS 95 4.563 14.518 -4.713 735 HA HIS 95 HA HIS 95 6.615 16.528 -4.184 736 HB2 HIS 95 2HB HIS 95 5.117 16.841 -6.113 737 HB3 HIS 95 3HB HIS 95 3.728 16.827 -5.038 738 HD1 HIS 95 1HD HIS 95 3.217 18.970 -3.708 739 HD2 HIS 95 2HD HIS 95 6.632 19.211 -6.081 740 HE1 HIS 95 1HE HIS 95 3.839 21.407 -3.765 741 HE2 HIS 95 2HE HIS 95 5.932 21.526 -5.161 742 H GLY 96 HN GLY 96 6.915 17.272 -2.195 743 HA2 GLY 96 2HA GLY 96 5.852 18.666 -0.459 744 HA3 GLY 96 3HA GLY 96 4.558 17.480 -0.427 745 H THR 97 HN THR 97 4.913 17.270 1.841 746 HA THR 97 HA THR 97 7.177 15.498 2.439 747 HB THR 97 HB THR 97 6.068 17.627 4.287 748 HG1 THR 97 1HG THR 97 7.506 18.830 3.299 749 HG21 THR 97 3HG2 THR 97 7.864 16.961 5.807 750 HG22 THR 97 1HG2 THR 97 8.357 15.693 4.684 751 HG23 THR 97 2HG2 THR 97 6.787 15.603 5.482 752 H LEU 98 HN LEU 98 6.682 13.778 3.759 753 HA LEU 98 HA LEU 98 3.897 13.059 3.631 754 HB2 LEU 98 2HB LEU 98 4.858 10.907 4.867 755 HB3 LEU 98 3HB LEU 98 4.913 11.122 3.136 756 HG LEU 98 HG LEU 98 6.973 10.168 4.213 757 HD11 LEU 98 1HD1 LEU 98 8.520 11.457 2.816 758 HD12 LEU 98 2HD1 LEU 98 7.027 11.033 1.978 759 HD13 LEU 98 3HD1 LEU 98 7.268 12.673 2.575 760 HD21 LEU 98 3HD2 LEU 98 7.315 12.987 5.225 761 HD22 LEU 98 1HD2 LEU 98 7.112 11.532 6.197 762 HD23 LEU 98 2HD2 LEU 98 8.568 11.747 5.226 763 H GLN 99 HN GLN 99 2.470 13.208 5.137 764 HA GLN 99 HA GLN 99 3.356 13.540 7.920 765 HB2 GLN 99 2HB GLN 99 1.570 15.154 8.271 766 HB3 GLN 99 3HB GLN 99 2.583 15.689 6.937 767 HG2 GLN 99 2HG GLN 99 0.915 14.761 5.361 768 HG3 GLN 99 3HG GLN 99 -0.121 14.390 6.736 769 HE21 GLN 99 1HE2 GLN 99 -1.110 16.072 7.855 770 HE22 GLN 99 2HE2 GLN 99 -1.236 17.671 7.196 771 H ALA 100 HN ALA 100 1.586 12.929 9.480 772 HA ALA 100 HA ALA 100 0.046 10.691 8.340 773 HB1 ALA 100 1HB ALA 100 1.863 10.124 9.962 774 HB2 ALA 100 2HB ALA 100 0.924 10.951 11.206 775 HB3 ALA 100 3HB ALA 100 0.262 9.528 10.398 776 H HIS 101 HN HIS 101 -1.984 11.315 8.014 777 HA HIS 101 HA HIS 101 -3.301 13.181 9.791 778 HB2 HIS 101 2HB HIS 101 -3.678 13.438 7.418 779 HB3 HIS 101 3HB HIS 101 -4.184 11.762 7.267 780 HD1 HIS 101 1HD HIS 101 -6.603 11.384 7.256 781 HD2 HIS 101 2HD HIS 101 -5.615 14.988 9.096 782 HE1 HIS 101 1HE HIS 101 -8.796 12.500 7.799 783 HE2 HIS 101 2HE HIS 101 -8.179 14.607 9.036 784 H GLU 102 HN GLU 102 -4.686 10.212 8.399 785 HA GLU 102 HA GLU 102 -6.127 9.647 10.808 786 HB2 GLU 102 2HB GLU 102 -5.815 8.390 8.115 787 HB3 GLU 102 3HB GLU 102 -6.503 7.420 9.428 788 HG2 GLU 102 2HG GLU 102 -7.563 10.060 8.430 789 HG3 GLU 102 3HG GLU 102 -8.251 8.469 8.106 790 H HIS 103 HN HIS 103 -3.365 8.240 9.140 791 HA HIS 103 HA HIS 103 -2.897 6.274 11.169 792 HB2 HIS 103 2HB HIS 103 -1.110 7.272 8.935 793 HB3 HIS 103 3HB HIS 103 -0.739 5.911 9.983 794 HD1 HIS 103 1HD HIS 103 -3.501 6.910 7.502 795 HD2 HIS 103 2HD HIS 103 -1.609 3.529 9.049 796 HE1 HIS 103 1HE HIS 103 -4.460 4.950 6.253 797 HE2 HIS 103 2HE HIS 103 -3.430 2.902 7.318 798 H GLN 104 HN GLN 104 -0.992 6.285 12.609 799 HA GLN 104 HA GLN 104 -0.872 8.963 13.764 800 HB2 GLN 104 2HB GLN 104 -1.678 7.067 15.131 801 HB3 GLN 104 3HB GLN 104 -0.094 6.318 14.988 802 HG2 GLN 104 2HG GLN 104 0.931 8.058 16.238 803 HG3 GLN 104 3HG GLN 104 -0.537 9.034 16.191 804 HE21 GLN 104 1HE2 GLN 104 -2.281 8.480 17.490 805 HE22 GLN 104 2HE2 GLN 104 -2.133 7.376 18.818 806 H ALA 105 HN ALA 105 1.494 6.279 13.690 807 HA ALA 105 HA ALA 105 3.604 8.312 13.654 808 HB1 ALA 105 1HB ALA 105 5.098 6.547 14.398 809 HB2 ALA 105 2HB ALA 105 3.680 6.630 15.442 810 HB3 ALA 105 3HB ALA 105 3.808 5.358 14.228 811 H LEU 106 HN LEU 106 5.445 8.068 12.228 812 HA LEU 106 HA LEU 106 4.909 6.460 9.827 813 HB2 LEU 106 2HB LEU 106 4.825 9.295 10.045 814 HB3 LEU 106 3HB LEU 106 6.291 8.894 9.175 815 HG LEU 106 HG LEU 106 4.964 7.637 7.525 816 HD11 LEU 106 1HD1 LEU 106 2.527 7.835 7.526 817 HD12 LEU 106 2HD1 LEU 106 3.106 6.982 8.957 818 HD13 LEU 106 3HD1 LEU 106 2.594 8.666 9.082 819 HD21 LEU 106 3HD2 LEU 106 3.896 9.582 6.473 820 HD22 LEU 106 1HD2 LEU 106 4.053 10.475 7.986 821 HD23 LEU 106 2HD2 LEU 106 5.496 9.971 7.109 822 H VAL 107 HN VAL 107 6.659 5.253 9.279 823 HA VAL 107 HA VAL 107 9.300 6.152 10.224 824 HB VAL 107 HB VAL 107 8.367 4.432 11.777 825 HG11 VAL 107 1HG1 VAL 107 7.106 3.099 10.179 826 HG12 VAL 107 2HG1 VAL 107 8.602 2.610 9.387 827 HG13 VAL 107 3HG1 VAL 107 8.272 2.097 11.041 828 HG21 VAL 107 3HG2 VAL 107 10.771 4.745 11.567 829 HG22 VAL 107 1HG2 VAL 107 10.380 3.050 11.855 830 HG23 VAL 107 2HG2 VAL 107 10.816 3.592 10.234 831 H TRP 108 HN TRP 108 11.023 5.687 8.927 832 HA TRP 108 HA TRP 108 10.470 4.291 6.405 833 HB2 TRP 108 2HB TRP 108 12.608 6.259 7.211 834 HB3 TRP 108 3HB TRP 108 12.788 5.239 5.791 835 HD1 TRP 108 1HD TRP 108 10.197 5.463 4.263 836 HE1 TRP 108 1HE TRP 108 9.316 7.707 3.363 837 HE3 TRP 108 3HE TRP 108 12.721 8.634 7.374 838 HZ2 TRP 108 2HZ TRP 108 9.652 10.456 3.898 839 HZ3 TRP 108 3HZ TRP 108 12.391 11.058 7.112 840 HH2 TRP 108 2HH TRP 108 10.887 11.948 5.407 841 H CYS 109 HN CYS 109 11.070 2.241 6.330 842 HA CYS 109 HA CYS 109 13.637 1.518 7.546 843 HB2 CYS 109 2HB CYS 109 12.711 -0.616 8.396 844 HB3 CYS 109 3HB CYS 109 12.011 0.789 9.187 845 HG CYS 109 HG CYS 109 10.417 -1.681 8.047 846 H SER 110 HN SER 110 14.556 -0.441 6.655 847 HA SER 110 HA SER 110 14.403 -0.457 3.826 848 HB2 SER 110 2HB SER 110 15.688 -2.540 5.602 849 HB3 SER 110 3HB SER 110 16.133 -2.109 3.948 850 HG SER 110 HG SER 110 17.338 -0.574 4.715 851 HA PRO 111 HA PRO 111 11.170 -3.183 2.730 852 HB2 PRO 111 2HB PRO 111 12.664 -5.175 1.360 853 HB3 PRO 111 3HB PRO 111 11.807 -3.799 0.665 854 HG2 PRO 111 2HG PRO 111 14.681 -4.114 1.290 855 HG3 PRO 111 3HG PRO 111 13.896 -3.113 0.058 856 HD2 PRO 111 2HD PRO 111 14.980 -2.051 2.281 857 HD3 PRO 111 3HD PRO 111 13.518 -1.370 1.535 858 H GLU 112 HN GLU 112 14.046 -5.163 3.595 859 HA GLU 112 HA GLU 112 12.415 -7.338 4.478 860 HB2 GLU 112 2HB GLU 112 14.548 -8.222 5.481 861 HB3 GLU 112 3HB GLU 112 14.601 -7.913 3.754 862 HG2 GLU 112 2HG GLU 112 15.549 -5.815 5.645 863 HG3 GLU 112 3HG GLU 112 16.576 -7.206 5.296 864 H GLU 113 HN GLU 113 13.743 -4.525 6.017 865 HA GLU 113 HA GLU 113 13.342 -5.407 8.696 866 HB2 GLU 113 2HB GLU 113 13.675 -2.645 7.519 867 HB3 GLU 113 3HB GLU 113 13.547 -2.960 9.246 868 HG2 GLU 113 2HG GLU 113 15.685 -3.997 7.400 869 HG3 GLU 113 3HG GLU 113 15.862 -2.709 8.593 870 H ALA 114 HN ALA 114 11.389 -3.775 6.308 871 HA ALA 114 HA ALA 114 9.268 -2.937 7.948 872 HB1 ALA 114 1HB ALA 114 9.568 -2.190 5.629 873 HB2 ALA 114 2HB ALA 114 9.159 -3.809 5.061 874 HB3 ALA 114 3HB ALA 114 7.950 -2.839 5.903 875 H LEU 115 HN LEU 115 9.856 -6.012 6.294 876 HA LEU 115 HA LEU 115 7.310 -7.097 6.962 877 HB2 LEU 115 2HB LEU 115 9.281 -7.750 5.193 878 HB3 LEU 115 3HB LEU 115 9.488 -8.993 6.411 879 HG LEU 115 HG LEU 115 7.983 -9.538 4.417 880 HD11 LEU 115 1HD1 LEU 115 6.369 -10.770 5.792 881 HD12 LEU 115 2HD1 LEU 115 8.020 -10.937 6.393 882 HD13 LEU 115 3HD1 LEU 115 6.890 -9.854 7.207 883 HD21 LEU 115 3HD2 LEU 115 5.738 -8.750 4.438 884 HD22 LEU 115 1HD2 LEU 115 5.985 -7.903 5.963 885 HD23 LEU 115 2HD2 LEU 115 6.794 -7.340 4.502 886 H GLN 116 HN GLN 116 10.211 -6.703 8.732 887 HA GLN 116 HA GLN 116 9.636 -8.832 10.599 888 HB2 GLN 116 2HB GLN 116 11.690 -6.627 10.553 889 HB3 GLN 116 3HB GLN 116 11.527 -7.748 11.898 890 HG2 GLN 116 2HG GLN 116 12.135 -9.597 10.550 891 HG3 GLN 116 3HG GLN 116 11.988 -8.650 9.070 892 HE21 GLN 116 1HE2 GLN 116 13.592 -7.249 8.498 893 HE22 GLN 116 2HE2 GLN 116 15.153 -7.225 9.248 894 H TYR 117 HN TYR 117 8.381 -5.831 10.022 895 HA TYR 117 HA TYR 117 7.744 -5.268 12.818 896 HB2 TYR 117 2HB TYR 117 7.577 -3.733 10.266 897 HB3 TYR 117 3HB TYR 117 6.403 -3.352 11.522 898 HD1 TYR 117 2HD TYR 117 7.161 -2.465 13.697 899 HD2 TYR 117 1HD TYR 117 9.888 -3.119 10.504 900 HE1 TYR 117 2HE TYR 117 8.818 -1.050 14.833 901 HE2 TYR 117 1HE TYR 117 11.558 -1.705 11.631 902 HH TYR 117 HH TYR 117 11.549 0.172 13.344 903 HA PRO 118 HA PRO 118 3.734 -7.057 12.580 904 HB2 PRO 118 2HB PRO 118 2.154 -5.308 13.929 905 HB3 PRO 118 3HB PRO 118 3.338 -6.349 14.727 906 HG2 PRO 118 2HG PRO 118 3.532 -3.460 14.001 907 HG3 PRO 118 3HG PRO 118 4.095 -4.289 15.463 908 HD2 PRO 118 2HD PRO 118 5.732 -3.586 13.393 909 HD3 PRO 118 3HD PRO 118 6.056 -4.958 14.468 910 H LEU 119 HN LEU 119 3.820 -6.580 10.212 911 HA LEU 119 HA LEU 119 2.070 -4.477 9.267 912 HB2 LEU 119 2HB LEU 119 3.473 -6.746 7.858 913 HB3 LEU 119 3HB LEU 119 2.461 -5.578 7.036 914 HG LEU 119 HG LEU 119 5.058 -4.994 8.476 915 HD11 LEU 119 1HD1 LEU 119 4.328 -4.906 5.551 916 HD12 LEU 119 2HD1 LEU 119 5.885 -4.455 6.248 917 HD13 LEU 119 3HD1 LEU 119 5.333 -6.130 6.329 918 HD21 LEU 119 3HD2 LEU 119 4.801 -2.721 7.636 919 HD22 LEU 119 1HD2 LEU 119 3.224 -3.137 6.964 920 HD23 LEU 119 2HD2 LEU 119 3.468 -3.148 8.710 921 H ALA 120 HN ALA 120 0.105 -4.872 8.132 922 HA ALA 120 HA ALA 120 -1.537 -6.868 9.321 923 HB1 ALA 120 1HB ALA 120 -3.288 -6.029 7.846 924 HB2 ALA 120 2HB ALA 120 -2.422 -4.700 8.613 925 HB3 ALA 120 3HB ALA 120 -2.091 -5.112 6.930 926 HA PRO 121 HA PRO 121 -1.030 -10.402 6.769 927 HB2 PRO 121 2HB PRO 121 -3.624 -11.181 6.293 928 HB3 PRO 121 3HB PRO 121 -2.749 -11.483 7.798 929 HG2 PRO 121 2HG PRO 121 -4.703 -9.310 7.145 930 HG3 PRO 121 3HG PRO 121 -4.565 -10.289 8.619 931 HD2 PRO 121 2HD PRO 121 -3.625 -7.786 8.530 932 HD3 PRO 121 3HD PRO 121 -2.759 -9.063 9.412 933 H ALA 122 HN ALA 122 -2.630 -7.673 5.532 934 HA ALA 122 HA ALA 122 -2.842 -8.779 2.840 935 HB1 ALA 122 1HB ALA 122 -3.517 -6.023 3.864 936 HB2 ALA 122 2HB ALA 122 -3.838 -6.633 2.239 937 HB3 ALA 122 3HB ALA 122 -4.659 -7.348 3.628 938 H ASP 123 HN ASP 123 -0.913 -6.645 4.779 939 HA ASP 123 HA ASP 123 0.456 -5.397 2.574 940 HB2 ASP 123 2HB ASP 123 0.958 -5.294 5.557 941 HB3 ASP 123 3HB ASP 123 1.748 -4.272 4.361 942 H ILE 124 HN ILE 124 0.965 -8.085 4.689 943 HA ILE 124 HA ILE 124 3.769 -8.203 4.668 944 HB ILE 124 HB ILE 124 1.743 -10.412 5.030 945 HG12 ILE 124 2HG1 ILE 124 3.374 -8.859 7.051 946 HG13 ILE 124 3HG1 ILE 124 1.686 -8.539 6.670 947 HG21 ILE 124 1HG2 ILE 124 3.862 -11.387 4.373 948 HG22 ILE 124 2HG2 ILE 124 4.707 -10.425 5.586 949 HG23 ILE 124 3HG2 ILE 124 3.574 -11.677 6.089 950 HD11 ILE 124 3HD1 ILE 124 2.794 -11.054 7.893 951 HD12 ILE 124 1HD1 ILE 124 1.865 -9.799 8.714 952 HD13 ILE 124 2HD1 ILE 124 1.103 -10.787 7.468 953 HA PRO 125 HA PRO 125 3.418 -11.381 0.980 954 HB2 PRO 125 2HB PRO 125 1.099 -11.147 -0.498 955 HB3 PRO 125 3HB PRO 125 1.393 -12.389 0.724 956 HG2 PRO 125 2HG PRO 125 -0.117 -9.824 0.951 957 HG3 PRO 125 3HG PRO 125 -0.502 -11.418 1.624 958 HD2 PRO 125 2HD PRO 125 0.536 -9.464 3.137 959 HD3 PRO 125 3HD PRO 125 0.968 -11.168 3.388 960 H LEU 126 HN LEU 126 2.051 -8.153 0.906 961 HA LEU 126 HA LEU 126 2.663 -7.630 -1.835 962 HB2 LEU 126 2HB LEU 126 2.116 -5.768 0.481 963 HB3 LEU 126 3HB LEU 126 2.324 -5.236 -1.176 964 HG LEU 126 HG LEU 126 0.120 -7.033 -0.164 965 HD11 LEU 126 1HD1 LEU 126 -1.326 -5.121 -0.698 966 HD12 LEU 126 2HD1 LEU 126 -0.159 -4.741 0.569 967 HD13 LEU 126 3HD1 LEU 126 0.104 -4.161 -1.076 968 HD21 LEU 126 3HD2 LEU 126 0.607 -5.886 -2.910 969 HD22 LEU 126 1HD2 LEU 126 0.756 -7.583 -2.453 970 HD23 LEU 126 2HD2 LEU 126 -0.820 -6.793 -2.408 971 H LEU 127 HN LEU 127 4.230 -7.053 1.261 972 HA LEU 127 HA LEU 127 6.451 -5.652 0.142 973 HB2 LEU 127 2HB LEU 127 5.648 -5.435 2.503 974 HB3 LEU 127 3HB LEU 127 6.259 -7.046 2.810 975 HG LEU 127 HG LEU 127 7.703 -5.102 3.582 976 HD11 LEU 127 1HD1 LEU 127 8.582 -7.363 3.424 977 HD12 LEU 127 2HD1 LEU 127 8.945 -7.110 1.716 978 HD13 LEU 127 3HD1 LEU 127 9.796 -6.176 2.947 979 HD21 LEU 127 3HD2 LEU 127 8.276 -4.908 0.633 980 HD22 LEU 127 1HD2 LEU 127 7.407 -3.711 1.593 981 HD23 LEU 127 2HD2 LEU 127 9.109 -4.037 1.919 982 H GLU 128 HN GLU 128 5.820 -9.015 1.088 983 HA GLU 128 HA GLU 128 8.362 -10.073 0.776 984 HB2 GLU 128 2HB GLU 128 5.623 -11.216 0.319 985 HB3 GLU 128 3HB GLU 128 7.063 -12.177 0.015 986 HG2 GLU 128 2HG GLU 128 6.394 -10.876 2.645 987 HG3 GLU 128 3HG GLU 128 6.069 -12.559 2.239 988 H ALA 129 HN ALA 129 5.906 -9.414 -1.701 989 HA ALA 129 HA ALA 129 7.616 -10.444 -3.786 990 HB1 ALA 129 1HB ALA 129 5.925 -9.968 -5.305 991 HB2 ALA 129 2HB ALA 129 5.082 -10.484 -3.844 992 HB3 ALA 129 3HB ALA 129 5.178 -8.764 -4.250 993 H PHE 130 HN PHE 130 7.125 -7.399 -2.217 994 HA PHE 130 HA PHE 130 8.026 -5.737 -4.337 995 HB2 PHE 130 2HB PHE 130 6.774 -4.798 -2.464 996 HB3 PHE 130 3HB PHE 130 8.019 -5.322 -1.334 997 HD1 PHE 130 1HD PHE 130 7.236 -2.987 -4.053 998 HD2 PHE 130 2HD PHE 130 10.006 -4.060 -1.017 999 HE1 PHE 130 1HE PHE 130 8.391 -0.841 -4.360 1000 HE2 PHE 130 2HE PHE 130 11.170 -1.911 -1.312 1001 HZ PHE 130 HZ PHE 130 10.364 -0.302 -2.987 1002 H MET 131 HN MET 131 9.543 -7.160 -1.474 1003 HA MET 131 HA MET 131 12.163 -6.307 -2.214 1004 HB2 MET 131 2HB MET 131 12.959 -7.668 -0.382 1005 HB3 MET 131 3HB MET 131 11.530 -6.782 0.134 1006 HG2 MET 131 2HG MET 131 10.181 -8.807 -0.196 1007 HG3 MET 131 3HG MET 131 11.639 -9.683 -0.657 1008 HE1 MET 131 3HE MET 131 13.704 -10.082 1.003 1009 HE2 MET 131 1HE MET 131 13.767 -8.352 1.338 1010 HE3 MET 131 2HE MET 131 13.732 -9.508 2.670 1011 H ALA 132 HN ALA 132 10.210 -9.218 -2.821 1012 HA ALA 132 HA ALA 132 12.163 -10.834 -3.942 1013 HB1 ALA 132 1HB ALA 132 10.295 -11.858 -5.197 1014 HB2 ALA 132 2HB ALA 132 9.910 -11.621 -3.494 1015 HB3 ALA 132 3HB ALA 132 9.247 -10.521 -4.707 1016 H LEU 133 HN LEU 133 10.302 -8.180 -5.353 1017 HA LEU 133 HA LEU 133 11.137 -8.577 -8.024 1018 HB2 LEU 133 2HB LEU 133 9.670 -6.562 -6.522 1019 HB3 LEU 133 3HB LEU 133 10.673 -5.854 -7.773 1020 HG LEU 133 HG LEU 133 9.579 -7.340 -9.441 1021 HD11 LEU 133 1HD1 LEU 133 7.519 -8.499 -8.825 1022 HD12 LEU 133 2HD1 LEU 133 8.911 -9.144 -7.956 1023 HD13 LEU 133 3HD1 LEU 133 7.781 -8.068 -7.134 1024 HD21 LEU 133 3HD2 LEU 133 8.822 -5.041 -9.051 1025 HD22 LEU 133 1HD2 LEU 133 7.497 -6.101 -9.531 1026 HD23 LEU 133 2HD2 LEU 133 7.683 -5.629 -7.843 1027 H ARG 134 HN ARG 134 12.518 -6.817 -5.325 1028 HA ARG 134 HA ARG 134 14.520 -5.585 -6.994 1029 HB2 ARG 134 2HB ARG 134 14.194 -5.622 -3.994 1030 HB3 ARG 134 3HB ARG 134 15.417 -4.697 -4.854 1031 HG2 ARG 134 2HG ARG 134 13.496 -3.573 -6.077 1032 HG3 ARG 134 3HG ARG 134 12.439 -4.314 -4.870 1033 HD2 ARG 134 2HD ARG 134 13.068 -2.020 -4.253 1034 HD3 ARG 134 3HD ARG 134 13.662 -3.201 -3.086 1035 HE ARG 134 HE ARG 134 15.672 -2.794 -4.980 1036 HH11 ARG 134 2HH1 ARG 134 14.022 -0.858 -2.544 1037 HH12 ARG 134 1HH1 ARG 134 15.442 0.071 -2.182 1038 HH21 ARG 134 2HH2 ARG 134 17.495 -1.568 -4.502 1039 HH22 ARG 134 1HH2 ARG 134 17.418 -0.326 -3.278 1040 H ALA 135 HN ALA 135 14.218 -8.509 -5.187 1041 HA ALA 135 HA ALA 135 17.102 -8.828 -4.909 1042 HB1 ALA 135 1HB ALA 135 14.867 -10.660 -4.040 1043 HB2 ALA 135 2HB ALA 135 16.575 -10.835 -3.642 1044 HB3 ALA 135 3HB ALA 135 15.665 -9.457 -3.025 1045 H ALA 136 HN ALA 136 14.377 -10.248 -6.644 1046 HA ALA 136 HA ALA 136 16.166 -12.121 -7.999 1047 HB1 ALA 136 1HB ALA 136 14.016 -12.944 -7.136 1048 HB2 ALA 136 2HB ALA 136 13.170 -11.843 -8.223 1049 HB3 ALA 136 3HB ALA 136 14.160 -13.148 -8.881 1050 H ARG 137 HN ARG 137 14.224 -9.286 -8.602 1051 HA ARG 137 HA ARG 137 14.104 -7.804 -10.292 1052 HB2 ARG 137 2HB ARG 137 16.551 -7.779 -10.215 1053 HB3 ARG 137 3HB ARG 137 16.608 -9.155 -11.310 1054 HG2 ARG 137 2HG ARG 137 15.506 -7.798 -13.039 1055 HG3 ARG 137 3HG ARG 137 15.529 -6.416 -11.944 1056 HD2 ARG 137 2HD ARG 137 17.985 -6.541 -11.876 1057 HD3 ARG 137 3HD ARG 137 17.933 -7.887 -13.015 1058 HE ARG 137 HE ARG 137 16.536 -5.819 -14.197 1059 HH11 ARG 137 2HH1 ARG 137 19.808 -6.377 -13.099 1060 HH12 ARG 137 1HH1 ARG 137 20.519 -5.292 -14.252 1061 HH21 ARG 137 2HH2 ARG 137 17.452 -4.364 -15.693 1062 HH22 ARG 137 1HH2 ARG 137 19.178 -4.110 -15.697 1063 HA PRO 138 HA PRO 138 11.901 -10.406 -13.265 1064 HB2 PRO 138 2HB PRO 138 9.983 -8.579 -13.797 1065 HB3 PRO 138 3HB PRO 138 9.933 -9.600 -12.353 1066 HG2 PRO 138 2HG PRO 138 10.827 -6.759 -12.632 1067 HG3 PRO 138 3HG PRO 138 9.833 -7.500 -11.365 1068 HD2 PRO 138 2HD PRO 138 12.497 -6.998 -11.073 1069 HD3 PRO 138 3HD PRO 138 11.658 -8.322 -10.241 1070 H ALA 139 HN ALA 139 11.106 -9.738 -15.542 1071 HA ALA 139 HA ALA 139 11.530 -8.977 -17.631 1072 HB1 ALA 139 1HB ALA 139 13.044 -6.712 -16.338 1073 HB2 ALA 139 2HB ALA 139 12.481 -6.789 -18.008 1074 HB3 ALA 139 3HB ALA 139 11.315 -6.714 -16.686 1075 H ASP 140 HN ASP 140 14.494 -8.404 -15.702 1076 HA ASP 140 HA ASP 140 15.904 -10.094 -17.658 1077 HB2 ASP 140 2HB ASP 140 16.501 -7.624 -17.759 1078 HB3 ASP 140 3HB ASP 140 17.189 -7.815 -16.148 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -21.355 -13.708 -17.186 2 H2 GLY 1 2H GLY 1 -20.129 -13.088 -16.192 3 H3 GLY 1 3H GLY 1 -20.878 -12.091 -17.340 4 HA2 GLY 1 3HA GLY 1 -22.986 -12.293 -16.156 5 HA3 GLY 1 2HA GLY 1 -22.167 -13.269 -14.943 6 HA PRO 2 HA PRO 2 -21.406 -8.494 -14.569 7 HB2 PRO 2 2HB PRO 2 -24.077 -8.002 -13.485 8 HB3 PRO 2 3HB PRO 2 -23.224 -7.157 -14.778 9 HG2 PRO 2 2HG PRO 2 -25.363 -8.735 -15.250 10 HG3 PRO 2 3HG PRO 2 -24.030 -8.572 -16.409 11 HD2 PRO 2 2HD PRO 2 -24.582 -10.769 -14.446 12 HD3 PRO 2 3HD PRO 2 -24.038 -10.878 -16.136 13 H LEU 3 HN LEU 3 -20.193 -8.366 -12.839 14 HA LEU 3 HA LEU 3 -19.441 -8.325 -10.715 15 HB2 LEU 3 2HB LEU 3 -21.326 -6.787 -10.378 16 HB3 LEU 3 3HB LEU 3 -22.360 -8.144 -9.974 17 HG LEU 3 HG LEU 3 -20.907 -8.621 -8.013 18 HD11 LEU 3 1HD1 LEU 3 -18.839 -7.634 -8.780 19 HD12 LEU 3 2HD1 LEU 3 -19.343 -6.871 -7.273 20 HD13 LEU 3 3HD1 LEU 3 -19.581 -6.034 -8.806 21 HD21 LEU 3 3HD2 LEU 3 -22.948 -7.331 -7.744 22 HD22 LEU 3 1HD2 LEU 3 -22.077 -5.845 -8.132 23 HD23 LEU 3 2HD2 LEU 3 -21.689 -6.738 -6.661 24 H GLY 4 HN GLY 4 -22.391 -9.953 -9.704 25 HA2 GLY 4 2HA GLY 4 -22.291 -12.480 -9.643 26 HA3 GLY 4 3HA GLY 4 -20.709 -12.241 -8.911 27 H SER 5 HN SER 5 -21.338 -13.338 -7.030 28 HA SER 5 HA SER 5 -23.500 -12.170 -5.447 29 HB2 SER 5 2HB SER 5 -21.786 -14.610 -4.916 30 HB3 SER 5 3HB SER 5 -23.213 -14.124 -3.999 31 HG SER 5 HG SER 5 -24.461 -14.427 -5.870 32 H MET 6 HN MET 6 -20.084 -12.200 -5.709 33 HA MET 6 HA MET 6 -19.820 -11.000 -3.042 34 HB2 MET 6 2HB MET 6 -17.832 -12.420 -4.802 35 HB3 MET 6 3HB MET 6 -17.315 -11.397 -3.471 36 HG2 MET 6 2HG MET 6 -17.312 -13.628 -2.691 37 HG3 MET 6 3HG MET 6 -18.691 -12.820 -1.949 38 HE1 MET 6 3HE MET 6 -19.983 -16.480 -2.373 39 HE2 MET 6 1HE MET 6 -19.711 -15.145 -1.254 40 HE3 MET 6 2HE MET 6 -18.339 -15.978 -1.981 41 H LYS 7 HN LYS 7 -19.120 -8.965 -2.799 42 HA LYS 7 HA LYS 7 -18.679 -7.378 -5.214 43 HB2 LYS 7 2HB LYS 7 -20.381 -6.568 -3.617 44 HB3 LYS 7 3HB LYS 7 -19.183 -6.558 -2.335 45 HG2 LYS 7 2HG LYS 7 -19.566 -4.316 -3.117 46 HG3 LYS 7 3HG LYS 7 -17.930 -4.815 -3.544 47 HD2 LYS 7 2HD LYS 7 -18.624 -5.251 -5.822 48 HD3 LYS 7 3HD LYS 7 -20.298 -4.885 -5.410 49 HE2 LYS 7 2HE LYS 7 -19.238 -3.006 -6.555 50 HE3 LYS 7 3HE LYS 7 -19.684 -2.581 -4.904 51 HZ1 LYS 7 3HZ LYS 7 -17.426 -1.840 -5.668 52 HZ2 LYS 7 1HZ LYS 7 -16.953 -3.464 -5.647 53 HZ3 LYS 7 2HZ LYS 7 -17.448 -2.703 -4.211 54 H MET 8 HN MET 8 -16.723 -6.327 -5.557 55 HA MET 8 HA MET 8 -14.558 -7.273 -3.839 56 HB2 MET 8 2HB MET 8 -14.589 -6.166 -6.642 57 HB3 MET 8 3HB MET 8 -13.098 -6.333 -5.723 58 HG2 MET 8 2HG MET 8 -13.465 -8.728 -5.530 59 HG3 MET 8 3HG MET 8 -14.987 -8.581 -6.407 60 HE1 MET 8 3HE MET 8 -13.691 -7.371 -9.934 61 HE2 MET 8 1HE MET 8 -14.087 -6.322 -8.572 62 HE3 MET 8 2HE MET 8 -15.114 -7.706 -8.947 63 H ILE 9 HN ILE 9 -13.335 -5.994 -2.678 64 HA ILE 9 HA ILE 9 -13.928 -3.113 -2.651 65 HB ILE 9 HB ILE 9 -12.603 -4.848 -0.570 66 HG12 ILE 9 2HG1 ILE 9 -15.373 -3.665 -0.706 67 HG13 ILE 9 3HG1 ILE 9 -14.942 -5.371 -0.654 68 HG21 ILE 9 1HG2 ILE 9 -12.451 -3.029 0.876 69 HG22 ILE 9 2HG2 ILE 9 -13.511 -2.024 -0.133 70 HG23 ILE 9 3HG2 ILE 9 -11.881 -2.417 -0.686 71 HD11 ILE 9 3HD1 ILE 9 -14.666 -3.358 1.562 72 HD12 ILE 9 1HD1 ILE 9 -14.024 -5.001 1.630 73 HD13 ILE 9 2HD1 ILE 9 -15.763 -4.736 1.488 74 H GLU 10 HN GLU 10 -12.480 -2.049 -3.851 75 HA GLU 10 HA GLU 10 -9.904 -3.310 -4.382 76 HB2 GLU 10 2HB GLU 10 -11.405 -1.035 -5.701 77 HB3 GLU 10 3HB GLU 10 -9.730 -1.398 -6.079 78 HG2 GLU 10 2HG GLU 10 -11.835 -3.509 -6.313 79 HG3 GLU 10 3HG GLU 10 -11.589 -2.324 -7.595 80 H VAL 11 HN VAL 11 -8.125 -2.627 -3.386 81 HA VAL 11 HA VAL 11 -8.157 0.050 -2.183 82 HB VAL 11 HB VAL 11 -7.006 -2.444 -0.900 83 HG11 VAL 11 1HG1 VAL 11 -5.677 -0.460 -0.424 84 HG12 VAL 11 2HG1 VAL 11 -6.548 -0.984 1.019 85 HG13 VAL 11 3HG1 VAL 11 -7.126 0.402 0.093 86 HG21 VAL 11 3HG2 VAL 11 -9.438 -2.407 -0.769 87 HG22 VAL 11 1HG2 VAL 11 -9.391 -0.773 -0.111 88 HG23 VAL 11 2HG2 VAL 11 -8.728 -2.116 0.817 89 H VAL 12 HN VAL 12 -6.505 1.235 -2.845 90 HA VAL 12 HA VAL 12 -4.273 -0.128 -4.160 91 HB VAL 12 HB VAL 12 -3.673 2.267 -4.888 92 HG11 VAL 12 1HG1 VAL 12 -5.279 2.175 -6.761 93 HG12 VAL 12 2HG1 VAL 12 -6.195 0.945 -5.889 94 HG13 VAL 12 3HG1 VAL 12 -4.549 0.606 -6.420 95 HG21 VAL 12 3HG2 VAL 12 -5.561 3.842 -4.972 96 HG22 VAL 12 1HG2 VAL 12 -5.109 3.455 -3.312 97 HG23 VAL 12 2HG2 VAL 12 -6.537 2.712 -4.033 98 H ALA 13 HN ALA 13 -2.273 -0.101 -3.335 99 HA ALA 13 HA ALA 13 -1.887 1.393 -0.830 100 HB1 ALA 13 1HB ALA 13 -0.365 -0.393 -0.133 101 HB2 ALA 13 2HB ALA 13 -0.675 -1.258 -1.638 102 HB3 ALA 13 3HB ALA 13 -1.974 -1.035 -0.464 103 H ALA 14 HN ALA 14 -0.224 2.755 -0.771 104 HA ALA 14 HA ALA 14 1.480 2.870 -3.159 105 HB1 ALA 14 1HB ALA 14 0.821 4.963 -1.089 106 HB2 ALA 14 2HB ALA 14 0.275 4.912 -2.765 107 HB3 ALA 14 3HB ALA 14 1.977 5.188 -2.401 108 H ILE 15 HN ILE 15 3.394 1.966 -2.935 109 HA ILE 15 HA ILE 15 4.614 1.830 -0.292 110 HB ILE 15 HB ILE 15 5.341 0.547 -2.933 111 HG12 ILE 15 2HG1 ILE 15 4.122 -0.414 -0.361 112 HG13 ILE 15 3HG1 ILE 15 3.558 -0.656 -2.012 113 HG21 ILE 15 1HG2 ILE 15 7.172 -0.563 -1.817 114 HG22 ILE 15 2HG2 ILE 15 6.779 0.249 -0.305 115 HG23 ILE 15 3HG2 ILE 15 7.368 1.185 -1.677 116 HD11 ILE 15 3HD1 ILE 15 4.424 -2.704 -0.997 117 HD12 ILE 15 1HD1 ILE 15 6.002 -1.929 -0.803 118 HD13 ILE 15 2HD1 ILE 15 5.344 -2.231 -2.428 119 H ILE 16 HN ILE 16 5.384 3.814 0.127 120 HA ILE 16 HA ILE 16 6.734 5.319 -1.953 121 HB ILE 16 HB ILE 16 6.218 6.078 0.931 122 HG12 ILE 16 2HG1 ILE 16 4.601 6.686 -1.551 123 HG13 ILE 16 3HG1 ILE 16 4.129 5.579 -0.269 124 HG21 ILE 16 1HG2 ILE 16 6.527 8.380 0.127 125 HG22 ILE 16 2HG2 ILE 16 6.907 7.758 -1.480 126 HG23 ILE 16 3HG2 ILE 16 7.974 7.399 -0.122 127 HD11 ILE 16 3HD1 ILE 16 4.052 7.437 1.302 128 HD12 ILE 16 1HD1 ILE 16 2.977 7.694 -0.071 129 HD13 ILE 16 2HD1 ILE 16 4.520 8.543 0.010 130 H GLU 17 HN GLU 17 8.747 4.686 -2.305 131 HA GLU 17 HA GLU 17 10.379 3.975 0.023 132 HB2 GLU 17 2HB GLU 17 9.872 1.969 -1.221 133 HB3 GLU 17 3HB GLU 17 10.359 2.727 -2.727 134 HG2 GLU 17 2HG GLU 17 12.336 2.441 -0.512 135 HG3 GLU 17 3HG GLU 17 11.937 1.053 -1.525 136 H ARG 18 HN ARG 18 12.103 5.088 0.311 137 HA ARG 18 HA ARG 18 13.405 6.448 -1.930 138 HB2 ARG 18 2HB ARG 18 11.736 7.942 -0.602 139 HB3 ARG 18 3HB ARG 18 12.935 7.878 0.679 140 HG2 ARG 18 2HG ARG 18 13.333 9.877 -0.478 141 HG3 ARG 18 3HG ARG 18 14.597 8.767 -1.004 142 HD2 ARG 18 2HD ARG 18 13.447 8.340 -3.066 143 HD3 ARG 18 3HD ARG 18 12.038 9.250 -2.524 144 HE ARG 18 HE ARG 18 14.615 10.634 -2.779 145 HH11 ARG 18 1HH1 ARG 18 11.373 10.098 -4.008 146 HH12 ARG 18 2HH1 ARG 18 11.333 11.580 -4.917 147 HH21 ARG 18 1HH2 ARG 18 14.569 12.571 -3.985 148 HH22 ARG 18 2HH2 ARG 18 13.154 12.979 -4.913 149 H ASP 19 HN ASP 19 15.549 6.222 -1.813 150 HA ASP 19 HA ASP 19 17.650 5.782 -1.066 151 HB2 ASP 19 2HB ASP 19 16.519 6.162 1.718 152 HB3 ASP 19 3HB ASP 19 18.227 6.072 1.299 153 H GLY 20 HN GLY 20 15.324 3.676 -1.081 154 HA2 GLY 20 2HA GLY 20 15.558 1.353 -0.952 155 HA3 GLY 20 3HA GLY 20 16.954 1.563 0.099 156 H LYS 21 HN LYS 21 14.428 3.555 1.050 157 HA LYS 21 HA LYS 21 13.591 1.617 3.105 158 HB2 LYS 21 2HB LYS 21 13.740 4.611 3.404 159 HB3 LYS 21 3HB LYS 21 13.439 3.432 4.666 160 HG2 LYS 21 2HG LYS 21 15.960 3.159 3.157 161 HG3 LYS 21 3HG LYS 21 15.821 4.531 4.258 162 HD2 LYS 21 2HD LYS 21 15.297 3.053 6.083 163 HD3 LYS 21 3HD LYS 21 15.287 1.660 5.001 164 HE2 LYS 21 2HE LYS 21 17.366 1.683 6.185 165 HE3 LYS 21 3HE LYS 21 17.681 2.120 4.506 166 HZ1 LYS 21 3HZ LYS 21 18.898 3.557 5.974 167 HZ2 LYS 21 1HZ LYS 21 17.487 3.989 6.810 168 HZ3 LYS 21 2HZ LYS 21 17.700 4.466 5.196 169 H ILE 22 HN ILE 22 11.442 1.448 3.529 170 HA ILE 22 HA ILE 22 9.653 2.785 1.619 171 HB ILE 22 HB ILE 22 9.146 0.302 3.268 172 HG12 ILE 22 2HG1 ILE 22 9.938 0.509 0.354 173 HG13 ILE 22 3HG1 ILE 22 11.018 0.020 1.657 174 HG21 ILE 22 1HG2 ILE 22 7.082 1.289 2.632 175 HG22 ILE 22 2HG2 ILE 22 7.356 -0.075 1.539 176 HG23 ILE 22 3HG2 ILE 22 7.655 1.578 0.991 177 HD11 ILE 22 3HD1 ILE 22 10.185 -1.898 0.437 178 HD12 ILE 22 1HD1 ILE 22 8.523 -1.425 0.791 179 HD13 ILE 22 2HD1 ILE 22 9.602 -1.914 2.101 180 H LEU 23 HN LEU 23 7.702 3.698 2.334 181 HA LEU 23 HA LEU 23 7.745 4.659 5.063 182 HB2 LEU 23 2HB LEU 23 7.244 6.119 3.098 183 HB3 LEU 23 3HB LEU 23 5.756 5.222 2.865 184 HG LEU 23 HG LEU 23 4.994 5.960 5.110 185 HD11 LEU 23 1HD1 LEU 23 6.194 7.766 6.229 186 HD12 LEU 23 2HD1 LEU 23 7.489 7.649 5.039 187 HD13 LEU 23 3HD1 LEU 23 7.175 6.305 6.136 188 HD21 LEU 23 3HD2 LEU 23 4.297 7.186 3.139 189 HD22 LEU 23 1HD2 LEU 23 5.769 8.157 3.196 190 HD23 LEU 23 2HD2 LEU 23 4.569 8.296 4.483 191 H LEU 24 HN LEU 24 6.873 3.538 6.607 192 HA LEU 24 HA LEU 24 4.417 1.965 6.089 193 HB2 LEU 24 2HB LEU 24 6.464 1.618 8.286 194 HB3 LEU 24 3HB LEU 24 4.955 0.742 8.198 195 HG LEU 24 HG LEU 24 5.782 -0.155 5.950 196 HD11 LEU 24 1HD1 LEU 24 8.410 0.841 7.027 197 HD12 LEU 24 2HD1 LEU 24 7.580 1.448 5.594 198 HD13 LEU 24 3HD1 LEU 24 8.189 -0.207 5.625 199 HD21 LEU 24 3HD2 LEU 24 7.078 -1.915 7.038 200 HD22 LEU 24 1HD2 LEU 24 5.657 -1.487 7.990 201 HD23 LEU 24 2HD2 LEU 24 7.247 -0.906 8.473 202 H ALA 25 HN ALA 25 2.600 2.440 7.214 203 HA ALA 25 HA ALA 25 2.824 4.629 9.177 204 HB1 ALA 25 1HB ALA 25 0.493 4.092 7.353 205 HB2 ALA 25 2HB ALA 25 1.758 5.280 7.037 206 HB3 ALA 25 3HB ALA 25 0.703 5.467 8.438 207 H GLN 26 HN GLN 26 2.245 4.117 11.152 208 HA GLN 26 HA GLN 26 1.181 1.571 11.804 209 HB2 GLN 26 2HB GLN 26 2.692 2.790 13.310 210 HB3 GLN 26 3HB GLN 26 1.456 4.017 13.565 211 HG2 GLN 26 2HG GLN 26 -0.004 2.324 14.569 212 HG3 GLN 26 3HG GLN 26 1.248 1.108 14.327 213 HE21 GLN 26 1HE2 GLN 26 3.402 2.973 14.992 214 HE22 GLN 26 2HE2 GLN 26 3.348 3.157 16.710 215 H ARG 27 HN ARG 27 -0.801 0.901 11.729 216 HA ARG 27 HA ARG 27 -3.011 2.135 12.921 217 HB2 ARG 27 2HB ARG 27 -2.515 3.500 10.692 218 HB3 ARG 27 3HB ARG 27 -3.370 2.158 9.949 219 HG2 ARG 27 2HG ARG 27 -4.654 3.485 12.266 220 HG3 ARG 27 3HG ARG 27 -4.590 4.369 10.743 221 HD2 ARG 27 2HD ARG 27 -5.799 1.654 11.223 222 HD3 ARG 27 3HD ARG 27 -6.657 3.153 10.864 223 HE ARG 27 HE ARG 27 -5.037 1.562 8.982 224 HH11 ARG 27 1HH1 ARG 27 -7.273 4.219 9.592 225 HH12 ARG 27 2HH1 ARG 27 -7.624 4.463 7.907 226 HH21 ARG 27 1HH2 ARG 27 -5.478 1.903 6.785 227 HH22 ARG 27 2HH2 ARG 27 -6.598 3.161 6.305 228 HA PRO 28 HA PRO 28 -3.948 -2.206 12.234 229 HB2 PRO 28 2HB PRO 28 -6.064 -2.368 13.872 230 HB3 PRO 28 3HB PRO 28 -4.412 -2.264 14.460 231 HG2 PRO 28 2HG PRO 28 -6.527 -0.207 14.404 232 HG3 PRO 28 3HG PRO 28 -5.221 -0.449 15.573 233 HD2 PRO 28 2HD PRO 28 -5.248 1.437 13.501 234 HD3 PRO 28 3HD PRO 28 -3.826 0.927 14.430 235 H ALA 29 HN ALA 29 -6.124 0.367 11.830 236 HA ALA 29 HA ALA 29 -7.603 0.853 10.182 237 HB1 ALA 29 1HB ALA 29 -7.401 -1.997 9.232 238 HB2 ALA 29 2HB ALA 29 -6.358 -0.682 8.691 239 HB3 ALA 29 3HB ALA 29 -8.090 -0.628 8.359 240 H GLN 30 HN GLN 30 -8.470 -2.543 10.880 241 HA GLN 30 HA GLN 30 -11.054 -1.484 11.841 242 HB2 GLN 30 2HB GLN 30 -10.574 -4.154 10.505 243 HB3 GLN 30 3HB GLN 30 -12.127 -3.503 11.016 244 HG2 GLN 30 2HG GLN 30 -11.754 -1.612 9.416 245 HG3 GLN 30 3HG GLN 30 -10.352 -2.496 8.812 246 HE21 GLN 30 1HE2 GLN 30 -10.682 -4.457 7.717 247 HE22 GLN 30 2HE2 GLN 30 -12.212 -4.869 7.036 248 H SER 31 HN SER 31 -8.332 -2.599 13.037 249 HA SER 31 HA SER 31 -9.561 -4.483 14.912 250 HB2 SER 31 2HB SER 31 -6.664 -3.938 14.256 251 HB3 SER 31 3HB SER 31 -7.200 -5.065 15.493 252 HG SER 31 HG SER 31 -8.505 -5.943 13.573 253 H ASP 32 HN ASP 32 -9.370 -4.221 17.126 254 HA ASP 32 HA ASP 32 -9.085 -1.531 18.111 255 HB2 ASP 32 2HB ASP 32 -10.772 -2.866 19.145 256 HB3 ASP 32 3HB ASP 32 -9.646 -4.189 19.428 257 H GLN 33 HN GLN 33 -7.197 -4.445 18.025 258 HA GLN 33 HA GLN 33 -5.190 -3.665 19.861 259 HB2 GLN 33 2HB GLN 33 -3.846 -5.457 18.772 260 HB3 GLN 33 3HB GLN 33 -5.444 -5.987 19.280 261 HG2 GLN 33 2HG GLN 33 -6.223 -5.684 16.942 262 HG3 GLN 33 3HG GLN 33 -4.563 -5.315 16.480 263 HE21 GLN 33 1HE2 GLN 33 -3.008 -6.957 16.565 264 HE22 GLN 33 2HE2 GLN 33 -3.450 -8.633 16.595 265 H ALA 34 HN ALA 34 -3.425 -2.439 19.622 266 HA ALA 34 HA ALA 34 -3.084 -1.116 17.014 267 HB1 ALA 34 1HB ALA 34 -2.299 -0.161 19.767 268 HB2 ALA 34 2HB ALA 34 -3.690 0.389 18.831 269 HB3 ALA 34 3HB ALA 34 -2.054 0.726 18.262 270 H GLY 35 HN GLY 35 -0.774 -0.282 16.688 271 HA2 GLY 35 2HA GLY 35 1.578 -0.636 17.190 272 HA3 GLY 35 3HA GLY 35 1.175 -2.294 17.606 273 H LEU 36 HN LEU 36 -0.669 -2.293 15.162 274 HA LEU 36 HA LEU 36 1.195 -3.475 13.397 275 HB2 LEU 36 2HB LEU 36 -1.701 -2.742 12.943 276 HB3 LEU 36 3HB LEU 36 -0.753 -3.770 11.897 277 HG LEU 36 HG LEU 36 -2.108 -5.234 13.104 278 HD11 LEU 36 1HD1 LEU 36 0.206 -5.971 13.055 279 HD12 LEU 36 2HD1 LEU 36 -0.623 -6.529 14.509 280 HD13 LEU 36 3HD1 LEU 36 0.498 -5.169 14.601 281 HD21 LEU 36 3HD2 LEU 36 -1.357 -3.888 15.688 282 HD22 LEU 36 1HD2 LEU 36 -2.529 -5.182 15.455 283 HD23 LEU 36 2HD2 LEU 36 -2.846 -3.576 14.797 284 H TRP 37 HN TRP 37 1.849 -2.853 11.371 285 HA TRP 37 HA TRP 37 1.436 -0.023 10.653 286 HB2 TRP 37 2HB TRP 37 3.762 -1.834 9.943 287 HB3 TRP 37 3HB TRP 37 3.600 -0.139 9.498 288 HD1 TRP 37 1HD TRP 37 4.149 -2.352 12.598 289 HE1 TRP 37 1HE TRP 37 5.297 -0.942 14.415 290 HE3 TRP 37 3HE TRP 37 4.060 2.198 10.271 291 HZ2 TRP 37 2HZ TRP 37 6.076 1.746 14.809 292 HZ3 TRP 37 3HZ TRP 37 5.028 4.137 11.437 293 HH2 TRP 37 2HH TRP 37 6.014 3.913 13.659 294 H GLU 38 HN GLU 38 0.922 0.469 8.525 295 HA GLU 38 HA GLU 38 0.567 -1.739 6.640 296 HB2 GLU 38 2HB GLU 38 -1.685 -0.783 6.004 297 HB3 GLU 38 3HB GLU 38 -1.631 -1.565 7.578 298 HG2 GLU 38 2HG GLU 38 -1.603 0.532 8.703 299 HG3 GLU 38 3HG GLU 38 -1.369 1.404 7.193 300 H PHE 39 HN PHE 39 0.460 -1.050 4.422 301 HA PHE 39 HA PHE 39 2.019 1.303 3.879 302 HB2 PHE 39 2HB PHE 39 0.541 -0.568 2.008 303 HB3 PHE 39 3HB PHE 39 1.585 0.742 1.475 304 HD1 PHE 39 2HD PHE 39 4.027 0.652 2.125 305 HD2 PHE 39 1HD PHE 39 1.376 -2.639 2.505 306 HE1 PHE 39 2HE PHE 39 5.940 -0.870 2.218 307 HE2 PHE 39 1HE PHE 39 3.276 -4.169 2.588 308 HZ PHE 39 HZ PHE 39 5.577 -3.298 2.449 309 H ALA 40 HN ALA 40 1.345 3.276 3.117 310 HA ALA 40 HA ALA 40 -1.315 4.054 3.774 311 HB1 ALA 40 1HB ALA 40 -0.658 6.271 3.029 312 HB2 ALA 40 2HB ALA 40 0.799 5.608 2.288 313 HB3 ALA 40 3HB ALA 40 0.602 5.562 4.040 314 H GLY 41 HN GLY 41 -2.888 4.995 2.334 315 HA2 GLY 41 2HA GLY 41 -2.917 5.135 -0.368 316 HA3 GLY 41 3HA GLY 41 -3.163 3.421 -0.058 317 H GLY 42 HN GLY 42 -5.254 3.065 -0.462 318 HA2 GLY 42 2HA GLY 42 -7.259 3.745 1.289 319 HA3 GLY 42 3HA GLY 42 -7.274 5.026 0.087 320 H LYS 43 HN LYS 43 -9.508 3.694 0.323 321 HA LYS 43 HA LYS 43 -9.679 1.436 -1.449 322 HB2 LYS 43 2HB LYS 43 -11.268 1.589 0.360 323 HB3 LYS 43 3HB LYS 43 -11.789 3.184 -0.166 324 HG2 LYS 43 2HG LYS 43 -12.651 2.165 -2.251 325 HG3 LYS 43 3HG LYS 43 -12.226 0.579 -1.611 326 HD2 LYS 43 2HD LYS 43 -13.827 0.715 0.095 327 HD3 LYS 43 3HD LYS 43 -14.019 2.455 -0.103 328 HE2 LYS 43 2HE LYS 43 -14.851 0.347 -2.095 329 HE3 LYS 43 3HE LYS 43 -15.933 1.226 -1.014 330 HZ1 LYS 43 3HZ LYS 43 -15.209 3.298 -2.118 331 HZ2 LYS 43 1HZ LYS 43 -15.985 2.231 -3.180 332 HZ3 LYS 43 2HZ LYS 43 -14.302 2.379 -3.215 333 H VAL 44 HN VAL 44 -10.721 1.381 -3.466 334 HA VAL 44 HA VAL 44 -10.505 3.900 -4.969 335 HB VAL 44 HB VAL 44 -10.644 1.065 -6.026 336 HG11 VAL 44 1HG1 VAL 44 -9.939 3.651 -7.404 337 HG12 VAL 44 2HG1 VAL 44 -11.422 2.722 -7.625 338 HG13 VAL 44 3HG1 VAL 44 -9.875 2.045 -8.130 339 HG21 VAL 44 3HG2 VAL 44 -8.237 2.842 -5.670 340 HG22 VAL 44 1HG2 VAL 44 -8.250 1.261 -6.455 341 HG23 VAL 44 2HG2 VAL 44 -8.609 1.395 -4.732 342 H GLU 45 HN GLU 45 -12.255 4.715 -6.028 343 HA GLU 45 HA GLU 45 -14.781 3.210 -5.827 344 HB2 GLU 45 2HB GLU 45 -14.381 5.663 -4.888 345 HB3 GLU 45 3HB GLU 45 -14.657 6.111 -6.565 346 HG2 GLU 45 2HG GLU 45 -16.718 6.292 -5.372 347 HG3 GLU 45 3HG GLU 45 -16.827 4.917 -6.474 348 HA PRO 46 HA PRO 46 -14.729 2.800 -10.319 349 HB2 PRO 46 2HB PRO 46 -17.430 2.856 -10.793 350 HB3 PRO 46 3HB PRO 46 -16.554 1.427 -10.236 351 HG2 PRO 46 2HG PRO 46 -18.154 3.404 -8.659 352 HG3 PRO 46 3HG PRO 46 -18.110 1.636 -8.523 353 HD2 PRO 46 2HD PRO 46 -16.781 3.216 -6.805 354 HD3 PRO 46 3HD PRO 46 -16.123 1.652 -7.332 355 H ASP 47 HN ASP 47 -15.213 5.535 -8.718 356 HA ASP 47 HA ASP 47 -16.231 7.125 -10.946 357 HB2 ASP 47 2HB ASP 47 -17.236 7.594 -8.780 358 HB3 ASP 47 3HB ASP 47 -15.647 7.811 -8.056 359 H GLU 48 HN GLU 48 -13.409 6.094 -9.488 360 HA GLU 48 HA GLU 48 -11.809 8.208 -10.774 361 HB2 GLU 48 2HB GLU 48 -10.350 8.335 -8.865 362 HB3 GLU 48 3HB GLU 48 -12.001 8.569 -8.302 363 HG2 GLU 48 2HG GLU 48 -11.983 6.068 -7.786 364 HG3 GLU 48 3HG GLU 48 -10.235 6.171 -7.987 365 H SER 49 HN SER 49 -9.560 7.575 -11.119 366 HA SER 49 HA SER 49 -9.325 4.783 -11.871 367 HB2 SER 49 2HB SER 49 -7.256 6.971 -12.170 368 HB3 SER 49 3HB SER 49 -7.368 5.459 -13.066 369 HG SER 49 HG SER 49 -9.323 6.229 -13.988 370 H GLN 50 HN GLN 50 -7.377 3.550 -11.188 371 HA GLN 50 HA GLN 50 -7.283 3.596 -8.353 372 HB2 GLN 50 2HB GLN 50 -5.492 2.006 -10.190 373 HB3 GLN 50 3HB GLN 50 -5.887 1.644 -8.512 374 HG2 GLN 50 2HG GLN 50 -8.349 1.637 -9.448 375 HG3 GLN 50 3HG GLN 50 -7.525 1.295 -10.964 376 HE21 GLN 50 1HE2 GLN 50 -8.380 0.133 -7.848 377 HE22 GLN 50 2HE2 GLN 50 -7.933 -1.519 -8.097 378 H ARG 51 HN ARG 51 -5.033 4.692 -10.847 379 HA ARG 51 HA ARG 51 -2.912 5.285 -9.024 380 HB2 ARG 51 2HB ARG 51 -3.414 6.739 -11.620 381 HB3 ARG 51 3HB ARG 51 -1.887 6.512 -10.785 382 HG2 ARG 51 2HG ARG 51 -2.007 4.099 -11.274 383 HG3 ARG 51 3HG ARG 51 -3.486 4.393 -12.194 384 HD2 ARG 51 2HD ARG 51 -2.065 6.119 -13.487 385 HD3 ARG 51 3HD ARG 51 -0.684 5.277 -12.790 386 HE ARG 51 HE ARG 51 -1.951 3.225 -13.843 387 HH11 ARG 51 1HH1 ARG 51 -1.446 6.414 -15.233 388 HH12 ARG 51 2HH1 ARG 51 -1.458 5.826 -16.874 389 HH21 ARG 51 1HH2 ARG 51 -1.961 2.470 -15.977 390 HH22 ARG 51 2HH2 ARG 51 -1.761 3.585 -17.298 391 H GLN 52 HN GLN 52 -5.698 7.034 -10.237 392 HA GLN 52 HA GLN 52 -5.025 9.579 -9.201 393 HB2 GLN 52 2HB GLN 52 -6.695 9.422 -10.921 394 HB3 GLN 52 3HB GLN 52 -7.668 8.321 -9.959 395 HG2 GLN 52 2HG GLN 52 -8.679 10.502 -9.975 396 HG3 GLN 52 3HG GLN 52 -8.099 10.130 -8.354 397 HE21 GLN 52 1HE2 GLN 52 -8.048 12.283 -7.774 398 HE22 GLN 52 2HE2 GLN 52 -6.845 13.379 -8.371 399 H ALA 53 HN ALA 53 -6.725 6.780 -7.930 400 HA ALA 53 HA ALA 53 -7.764 7.939 -5.601 401 HB1 ALA 53 1HB ALA 53 -6.905 5.079 -6.037 402 HB2 ALA 53 2HB ALA 53 -8.481 5.756 -6.448 403 HB3 ALA 53 3HB ALA 53 -7.977 5.659 -4.760 404 H LEU 54 HN LEU 54 -4.659 6.259 -6.171 405 HA LEU 54 HA LEU 54 -3.702 6.488 -3.534 406 HB2 LEU 54 2HB LEU 54 -2.361 6.180 -6.201 407 HB3 LEU 54 3HB LEU 54 -1.408 6.426 -4.750 408 HG LEU 54 HG LEU 54 -3.302 4.134 -5.255 409 HD11 LEU 54 1HD1 LEU 54 -1.254 3.989 -6.566 410 HD12 LEU 54 2HD1 LEU 54 -1.269 2.778 -5.287 411 HD13 LEU 54 3HD1 LEU 54 -0.293 4.232 -5.108 412 HD21 LEU 54 3HD2 LEU 54 -3.332 4.654 -2.924 413 HD22 LEU 54 1HD2 LEU 54 -1.579 4.829 -2.882 414 HD23 LEU 54 2HD2 LEU 54 -2.299 3.242 -3.147 415 H VAL 55 HN VAL 55 -3.330 8.552 -6.363 416 HA VAL 55 HA VAL 55 -1.584 10.430 -5.277 417 HB VAL 55 HB VAL 55 -3.688 10.729 -7.420 418 HG11 VAL 55 1HG1 VAL 55 -1.528 12.687 -6.646 419 HG12 VAL 55 2HG1 VAL 55 -3.265 12.924 -6.459 420 HG13 VAL 55 3HG1 VAL 55 -2.558 12.804 -8.071 421 HG21 VAL 55 3HG2 VAL 55 -1.723 10.688 -8.912 422 HG22 VAL 55 1HG2 VAL 55 -1.909 9.203 -7.979 423 HG23 VAL 55 2HG2 VAL 55 -0.693 10.391 -7.508 424 H ARG 56 HN ARG 56 -5.152 10.485 -5.384 425 HA ARG 56 HA ARG 56 -5.290 12.931 -3.948 426 HB2 ARG 56 2HB ARG 56 -7.710 12.503 -3.766 427 HB3 ARG 56 3HB ARG 56 -7.106 12.347 -5.404 428 HG2 ARG 56 2HG ARG 56 -8.368 10.505 -5.419 429 HG3 ARG 56 3HG ARG 56 -6.981 9.778 -4.609 430 HD2 ARG 56 2HD ARG 56 -7.989 9.972 -2.489 431 HD3 ARG 56 3HD ARG 56 -9.222 11.081 -3.088 432 HE ARG 56 HE ARG 56 -9.515 8.685 -4.491 433 HH11 ARG 56 1HH1 ARG 56 -9.765 9.818 -1.182 434 HH12 ARG 56 2HH1 ARG 56 -10.995 8.680 -0.756 435 HH21 ARG 56 1HH2 ARG 56 -11.151 7.186 -3.933 436 HH22 ARG 56 2HH2 ARG 56 -11.781 7.181 -2.312 437 H GLU 57 HN GLU 57 -5.634 9.535 -2.923 438 HA GLU 57 HA GLU 57 -6.354 10.078 -0.270 439 HB2 GLU 57 2HB GLU 57 -5.009 7.724 -1.564 440 HB3 GLU 57 3HB GLU 57 -5.311 7.762 0.167 441 HG2 GLU 57 2HG GLU 57 -7.452 8.105 -1.919 442 HG3 GLU 57 3HG GLU 57 -7.029 6.561 -1.180 443 H LEU 58 HN LEU 58 -3.093 9.572 -1.663 444 HA LEU 58 HA LEU 58 -1.773 9.827 0.838 445 HB2 LEU 58 2HB LEU 58 -0.592 10.519 -1.837 446 HB3 LEU 58 3HB LEU 58 0.273 10.095 -0.380 447 HG LEU 58 HG LEU 58 -1.402 8.259 -2.076 448 HD11 LEU 58 1HD1 LEU 58 0.798 8.764 -2.983 449 HD12 LEU 58 2HD1 LEU 58 0.703 7.092 -2.436 450 HD13 LEU 58 3HD1 LEU 58 1.542 8.293 -1.455 451 HD21 LEU 58 3HD2 LEU 58 -0.762 6.488 -0.536 452 HD22 LEU 58 1HD2 LEU 58 -1.725 7.723 0.273 453 HD23 LEU 58 2HD2 LEU 58 0.024 7.670 0.510 454 H ARG 59 HN ARG 59 -2.718 12.147 -1.632 455 HA ARG 59 HA ARG 59 -1.488 14.390 -0.505 456 HB2 ARG 59 2HB ARG 59 -2.400 14.428 -2.744 457 HB3 ARG 59 3HB ARG 59 -4.024 14.167 -2.126 458 HG2 ARG 59 2HG ARG 59 -4.071 16.330 -1.129 459 HG3 ARG 59 3HG ARG 59 -2.361 16.587 -1.482 460 HD2 ARG 59 2HD ARG 59 -2.839 17.355 -3.507 461 HD3 ARG 59 3HD ARG 59 -3.754 15.898 -3.885 462 HE ARG 59 HE ARG 59 -5.482 17.315 -2.376 463 HH11 ARG 59 1HH1 ARG 59 -3.501 18.200 -5.132 464 HH12 ARG 59 2HH1 ARG 59 -4.696 19.285 -5.793 465 HH21 ARG 59 1HH2 ARG 59 -7.050 18.726 -3.238 466 HH22 ARG 59 2HH2 ARG 59 -6.710 19.591 -4.712 467 H GLU 60 HN GLU 60 -4.477 12.751 0.299 468 HA GLU 60 HA GLU 60 -5.270 14.888 2.091 469 HB2 GLU 60 2HB GLU 60 -6.569 12.200 1.618 470 HB3 GLU 60 3HB GLU 60 -7.261 13.538 2.529 471 HG2 GLU 60 2HG GLU 60 -6.971 14.873 0.343 472 HG3 GLU 60 3HG GLU 60 -6.812 13.294 -0.416 473 H GLU 61 HN GLU 61 -3.927 11.641 2.293 474 HA GLU 61 HA GLU 61 -4.020 11.664 5.193 475 HB2 GLU 61 2HB GLU 61 -2.988 9.717 3.161 476 HB3 GLU 61 3HB GLU 61 -2.554 9.562 4.856 477 HG2 GLU 61 2HG GLU 61 -5.269 9.835 4.950 478 HG3 GLU 61 3HG GLU 61 -4.997 8.861 3.498 479 H LEU 62 HN LEU 62 -1.488 11.681 2.693 480 HA LEU 62 HA LEU 62 0.493 11.994 4.830 481 HB2 LEU 62 2HB LEU 62 0.999 11.297 1.946 482 HB3 LEU 62 3HB LEU 62 2.112 11.143 3.289 483 HG LEU 62 HG LEU 62 -0.378 9.487 2.857 484 HD11 LEU 62 1HD1 LEU 62 2.545 8.797 2.622 485 HD12 LEU 62 2HD1 LEU 62 1.406 8.969 1.288 486 HD13 LEU 62 3HD1 LEU 62 1.202 7.666 2.460 487 HD21 LEU 62 3HD2 LEU 62 0.409 8.162 4.746 488 HD22 LEU 62 1HD2 LEU 62 0.096 9.828 5.235 489 HD23 LEU 62 2HD2 LEU 62 1.754 9.279 4.985 490 H GLY 63 HN GLY 63 -1.237 14.063 3.146 491 HA2 GLY 63 2HA GLY 63 -0.954 16.105 2.165 492 HA3 GLY 63 3HA GLY 63 0.421 16.236 3.244 493 H ILE 64 HN ILE 64 0.382 13.787 0.727 494 HA ILE 64 HA ILE 64 2.264 15.461 -0.790 495 HB ILE 64 HB ILE 64 3.655 13.543 -1.329 496 HG12 ILE 64 2HG1 ILE 64 2.019 11.989 0.687 497 HG13 ILE 64 3HG1 ILE 64 1.920 11.784 -1.062 498 HG21 ILE 64 1HG2 ILE 64 3.322 13.963 1.633 499 HG22 ILE 64 2HG2 ILE 64 4.327 14.910 0.535 500 HG23 ILE 64 3HG2 ILE 64 4.728 13.218 0.861 501 HD11 ILE 64 3HD1 ILE 64 4.338 11.289 0.656 502 HD12 ILE 64 1HD1 ILE 64 4.282 11.134 -1.099 503 HD13 ILE 64 2HD1 ILE 64 3.307 10.065 -0.089 504 H GLU 65 HN GLU 65 2.037 15.503 -2.909 505 HA GLU 65 HA GLU 65 -0.106 13.913 -4.106 506 HB2 GLU 65 2HB GLU 65 1.481 16.180 -5.343 507 HB3 GLU 65 3HB GLU 65 0.000 15.464 -5.971 508 HG2 GLU 65 2HG GLU 65 -1.163 16.242 -3.913 509 HG3 GLU 65 3HG GLU 65 0.309 17.092 -3.462 510 H ALA 66 HN ALA 66 0.654 11.950 -4.570 511 HA ALA 66 HA ALA 66 3.429 11.530 -5.186 512 HB1 ALA 66 1HB ALA 66 1.179 9.532 -5.123 513 HB2 ALA 66 2HB ALA 66 2.155 10.009 -3.731 514 HB3 ALA 66 3HB ALA 66 2.908 9.180 -5.093 515 H THR 67 HN THR 67 4.228 10.370 -6.985 516 HA THR 67 HA THR 67 2.649 10.681 -9.450 517 HB THR 67 HB THR 67 5.644 10.316 -9.148 518 HG1 THR 67 1HG THR 67 4.141 12.519 -8.852 519 HG21 THR 67 3HG2 THR 67 4.783 9.461 -11.269 520 HG22 THR 67 1HG2 THR 67 5.739 10.923 -11.518 521 HG23 THR 67 2HG2 THR 67 3.977 11.001 -11.569 522 H VAL 68 HN VAL 68 1.597 8.756 -9.828 523 HA VAL 68 HA VAL 68 2.677 6.290 -8.808 524 HB VAL 68 HB VAL 68 0.249 6.755 -10.549 525 HG11 VAL 68 1HG1 VAL 68 1.068 4.365 -8.904 526 HG12 VAL 68 2HG1 VAL 68 1.020 4.460 -10.666 527 HG13 VAL 68 3HG1 VAL 68 -0.477 4.555 -9.735 528 HG21 VAL 68 3HG2 VAL 68 -1.045 6.614 -8.487 529 HG22 VAL 68 1HG2 VAL 68 0.105 7.950 -8.414 530 HG23 VAL 68 2HG2 VAL 68 0.443 6.447 -7.552 531 H GLY 69 HN GLY 69 3.851 4.816 -9.908 532 HA2 GLY 69 2HA GLY 69 3.993 5.069 -12.831 533 HA3 GLY 69 3HA GLY 69 5.464 5.085 -11.885 534 H GLU 70 HN GLU 70 6.006 3.176 -10.673 535 HA GLU 70 HA GLU 70 5.547 0.913 -12.414 536 HB2 GLU 70 2HB GLU 70 7.500 -0.049 -11.043 537 HB3 GLU 70 3HB GLU 70 7.818 1.296 -12.130 538 HG2 GLU 70 2HG GLU 70 7.571 2.813 -10.135 539 HG3 GLU 70 3HG GLU 70 7.550 1.363 -9.143 540 H TYR 71 HN TYR 71 4.395 -0.757 -12.005 541 HA TYR 71 HA TYR 71 2.914 -1.117 -9.581 542 HB2 TYR 71 2HB TYR 71 2.299 -1.575 -12.070 543 HB3 TYR 71 3HB TYR 71 3.159 -3.088 -11.845 544 HD1 TYR 71 2HD TYR 71 0.350 -1.080 -10.507 545 HD2 TYR 71 1HD TYR 71 2.032 -4.953 -10.980 546 HE1 TYR 71 2HE TYR 71 -1.739 -2.074 -9.693 547 HE2 TYR 71 1HE TYR 71 -0.062 -5.964 -10.173 548 HH TYR 71 HH TYR 71 -2.013 -5.357 -8.832 549 H VAL 72 HN VAL 72 3.397 -2.472 -7.878 550 HA VAL 72 HA VAL 72 5.837 -4.081 -8.098 551 HB VAL 72 HB VAL 72 4.191 -3.400 -5.654 552 HG11 VAL 72 1HG1 VAL 72 6.858 -4.797 -5.889 553 HG12 VAL 72 2HG1 VAL 72 5.345 -5.519 -5.341 554 HG13 VAL 72 3HG1 VAL 72 6.123 -4.262 -4.378 555 HG21 VAL 72 3HG2 VAL 72 5.320 -1.466 -6.658 556 HG22 VAL 72 1HG2 VAL 72 6.857 -2.327 -6.566 557 HG23 VAL 72 2HG2 VAL 72 6.004 -1.887 -5.086 558 H ALA 73 HN ALA 73 2.783 -4.613 -6.330 559 HA ALA 73 HA ALA 73 2.269 -7.112 -7.683 560 HB1 ALA 73 1HB ALA 73 2.531 -8.557 -5.743 561 HB2 ALA 73 2HB ALA 73 3.106 -7.194 -4.784 562 HB3 ALA 73 3HB ALA 73 4.063 -7.782 -6.144 563 H SER 74 HN SER 74 0.498 -8.352 -6.198 564 HA SER 74 HA SER 74 -1.202 -6.454 -4.802 565 HB2 SER 74 2HB SER 74 -2.132 -7.975 -7.244 566 HB3 SER 74 3HB SER 74 -3.177 -7.044 -6.167 567 HG SER 74 HG SER 74 -1.039 -5.590 -6.956 568 H HIS 75 HN HIS 75 -2.910 -7.477 -3.588 569 HA HIS 75 HA HIS 75 -2.696 -10.386 -3.311 570 HB2 HIS 75 2HB HIS 75 -1.171 -9.341 -1.615 571 HB3 HIS 75 3HB HIS 75 -2.567 -8.521 -0.932 572 HD1 HIS 75 1HD HIS 75 -3.291 -9.655 1.133 573 HD2 HIS 75 2HD HIS 75 -1.939 -12.377 -1.702 574 HE1 HIS 75 1HE HIS 75 -3.581 -11.920 2.182 575 HE2 HIS 75 2HE HIS 75 -2.806 -13.562 0.441 576 H GLN 76 HN GLN 76 -4.562 -11.375 -2.654 577 HA GLN 76 HA GLN 76 -6.897 -9.633 -2.269 578 HB2 GLN 76 2HB GLN 76 -6.578 -12.343 -3.498 579 HB3 GLN 76 3HB GLN 76 -8.129 -11.868 -2.819 580 HG2 GLN 76 2HG GLN 76 -8.248 -9.979 -4.291 581 HG3 GLN 76 3HG GLN 76 -6.636 -10.323 -4.918 582 HE21 GLN 76 1HE2 GLN 76 -6.346 -12.020 -6.334 583 HE22 GLN 76 2HE2 GLN 76 -7.662 -12.838 -7.106 584 H ARG 77 HN ARG 77 -8.203 -9.860 -0.563 585 HA ARG 77 HA ARG 77 -8.097 -12.209 1.127 586 HB2 ARG 77 2HB ARG 77 -7.735 -10.992 3.196 587 HB3 ARG 77 3HB ARG 77 -6.376 -10.699 2.124 588 HG2 ARG 77 2HG ARG 77 -7.296 -8.520 1.538 589 HG3 ARG 77 3HG ARG 77 -8.680 -8.821 2.595 590 HD2 ARG 77 2HD ARG 77 -7.184 -8.973 4.517 591 HD3 ARG 77 3HD ARG 77 -5.798 -8.709 3.466 592 HE ARG 77 HE ARG 77 -7.172 -6.507 2.975 593 HH11 ARG 77 1HH1 ARG 77 -6.666 -8.095 6.039 594 HH12 ARG 77 2HH1 ARG 77 -6.562 -6.615 6.950 595 HH21 ARG 77 1HH2 ARG 77 -7.036 -4.532 4.172 596 HH22 ARG 77 2HH2 ARG 77 -6.771 -4.598 5.884 597 H GLU 78 HN GLU 78 -9.947 -11.819 2.902 598 HA GLU 78 HA GLU 78 -12.003 -10.229 1.517 599 HB2 GLU 78 2HB GLU 78 -13.658 -11.859 1.896 600 HB3 GLU 78 3HB GLU 78 -12.262 -12.725 1.268 601 HG2 GLU 78 2HG GLU 78 -11.693 -13.502 3.469 602 HG3 GLU 78 3HG GLU 78 -12.975 -12.518 4.179 603 H VAL 79 HN VAL 79 -13.606 -9.287 2.709 604 HA VAL 79 HA VAL 79 -13.257 -9.272 5.616 605 HB VAL 79 HB VAL 79 -12.487 -7.119 4.919 606 HG11 VAL 79 1HG1 VAL 79 -13.905 -5.573 3.601 607 HG12 VAL 79 2HG1 VAL 79 -15.024 -6.906 3.308 608 HG13 VAL 79 3HG1 VAL 79 -13.371 -6.986 2.694 609 HG21 VAL 79 3HG2 VAL 79 -13.852 -7.098 6.910 610 HG22 VAL 79 1HG2 VAL 79 -15.314 -6.912 5.941 611 HG23 VAL 79 2HG2 VAL 79 -14.116 -5.618 5.989 612 H SER 80 HN SER 80 -14.830 -10.729 6.024 613 HA SER 80 HA SER 80 -16.862 -11.727 6.173 614 HB2 SER 80 2HB SER 80 -17.862 -8.876 5.997 615 HB3 SER 80 3HB SER 80 -18.735 -10.252 6.675 616 HG SER 80 HG SER 80 -17.726 -9.022 8.308 617 H GLY 81 HN GLY 81 -16.301 -12.494 3.859 618 HA2 GLY 81 2HA GLY 81 -17.342 -13.254 1.951 619 HA3 GLY 81 3HA GLY 81 -18.704 -12.209 2.310 620 H ARG 82 HN ARG 82 -16.637 -9.899 2.422 621 HA ARG 82 HA ARG 82 -16.851 -9.335 -0.439 622 HB2 ARG 82 2HB ARG 82 -15.960 -7.504 1.795 623 HB3 ARG 82 3HB ARG 82 -16.355 -7.029 0.151 624 HG2 ARG 82 2HG ARG 82 -18.675 -7.707 0.514 625 HG3 ARG 82 3HG ARG 82 -18.276 -8.167 2.170 626 HD2 ARG 82 2HD ARG 82 -17.529 -5.812 2.549 627 HD3 ARG 82 3HD ARG 82 -18.165 -5.416 0.954 628 HE ARG 82 HE ARG 82 -20.275 -6.590 2.188 629 HH11 ARG 82 1HH1 ARG 82 -18.156 -3.922 3.021 630 HH12 ARG 82 2HH1 ARG 82 -19.335 -3.124 4.015 631 HH21 ARG 82 1HH2 ARG 82 -21.840 -5.524 3.492 632 HH22 ARG 82 2HH2 ARG 82 -21.421 -4.026 4.268 633 H ILE 83 HN ILE 83 -15.105 -9.142 -1.782 634 HA ILE 83 HA ILE 83 -12.604 -10.159 -0.658 635 HB ILE 83 HB ILE 83 -13.629 -9.997 -3.490 636 HG12 ILE 83 2HG1 ILE 83 -13.108 -12.453 -3.422 637 HG13 ILE 83 3HG1 ILE 83 -12.735 -12.276 -1.711 638 HG21 ILE 83 1HG2 ILE 83 -10.836 -10.729 -2.616 639 HG22 ILE 83 2HG2 ILE 83 -11.300 -9.319 -3.569 640 HG23 ILE 83 3HG2 ILE 83 -11.488 -10.938 -4.242 641 HD11 ILE 83 3HD1 ILE 83 -15.402 -11.749 -2.997 642 HD12 ILE 83 1HD1 ILE 83 -15.028 -11.589 -1.281 643 HD13 ILE 83 2HD1 ILE 83 -14.960 -13.174 -2.054 644 H ILE 84 HN ILE 84 -11.155 -8.710 -0.041 645 HA ILE 84 HA ILE 84 -11.101 -6.085 -1.301 646 HB ILE 84 HB ILE 84 -8.953 -6.398 0.545 647 HG12 ILE 84 2HG1 ILE 84 -11.591 -7.506 1.433 648 HG13 ILE 84 3HG1 ILE 84 -9.964 -8.066 1.815 649 HG21 ILE 84 1HG2 ILE 84 -11.499 -4.856 0.909 650 HG22 ILE 84 2HG2 ILE 84 -10.178 -4.326 -0.140 651 HG23 ILE 84 3HG2 ILE 84 -9.913 -4.505 1.597 652 HD11 ILE 84 3HD1 ILE 84 -11.108 -7.055 3.740 653 HD12 ILE 84 1HD1 ILE 84 -11.216 -5.525 2.847 654 HD13 ILE 84 2HD1 ILE 84 -9.632 -6.192 3.296 655 H HIS 85 HN HIS 85 -9.633 -5.438 -2.678 656 HA HIS 85 HA HIS 85 -7.564 -7.379 -3.487 657 HB2 HIS 85 2HB HIS 85 -9.630 -7.049 -4.969 658 HB3 HIS 85 3HB HIS 85 -8.995 -5.446 -5.307 659 HD1 HIS 85 1HD HIS 85 -8.898 -6.191 -7.799 660 HD2 HIS 85 2HD HIS 85 -6.353 -8.267 -5.246 661 HE1 HIS 85 1HE HIS 85 -7.292 -7.439 -9.299 662 HE2 HIS 85 2HE HIS 85 -5.868 -8.816 -7.728 663 H LEU 86 HN LEU 86 -5.750 -6.500 -2.613 664 HA LEU 86 HA LEU 86 -5.402 -3.608 -2.677 665 HB2 LEU 86 2HB LEU 86 -4.058 -5.844 -1.228 666 HB3 LEU 86 3HB LEU 86 -3.218 -4.318 -1.416 667 HG LEU 86 HG LEU 86 -5.363 -3.269 -0.400 668 HD11 LEU 86 1HD1 LEU 86 -6.552 -4.759 1.153 669 HD12 LEU 86 2HD1 LEU 86 -5.679 -6.134 0.475 670 HD13 LEU 86 3HD1 LEU 86 -6.792 -5.213 -0.535 671 HD21 LEU 86 3HD2 LEU 86 -3.490 -4.948 1.260 672 HD22 LEU 86 1HD2 LEU 86 -4.512 -3.648 1.873 673 HD23 LEU 86 2HD2 LEU 86 -3.220 -3.289 0.729 674 H HIS 87 HN HIS 87 -4.173 -2.572 -4.071 675 HA HIS 87 HA HIS 87 -2.298 -4.122 -5.755 676 HB2 HIS 87 2HB HIS 87 -3.588 -1.450 -6.370 677 HB3 HIS 87 3HB HIS 87 -2.563 -2.382 -7.452 678 HD1 HIS 87 1HD HIS 87 -3.700 -4.051 -8.936 679 HD2 HIS 87 2HD HIS 87 -6.174 -2.656 -5.899 680 HE1 HIS 87 1HE HIS 87 -5.999 -4.898 -9.487 681 HE2 HIS 87 2HE HIS 87 -7.510 -3.824 -7.772 682 H ALA 88 HN ALA 88 -0.218 -3.799 -5.214 683 HA ALA 88 HA ALA 88 0.483 -1.397 -3.705 684 HB1 ALA 88 1HB ALA 88 2.102 -3.886 -4.237 685 HB2 ALA 88 2HB ALA 88 1.164 -3.545 -2.780 686 HB3 ALA 88 3HB ALA 88 2.567 -2.552 -3.179 687 H TRP 89 HN TRP 89 1.169 0.294 -4.758 688 HA TRP 89 HA TRP 89 2.762 -0.039 -7.216 689 HB2 TRP 89 2HB TRP 89 0.756 1.924 -6.328 690 HB3 TRP 89 3HB TRP 89 2.199 2.647 -7.027 691 HD1 TRP 89 1HD TRP 89 2.832 1.621 -9.582 692 HE1 TRP 89 1HE TRP 89 1.206 1.162 -11.520 693 HE3 TRP 89 3HE TRP 89 -1.522 1.296 -6.922 694 HZ2 TRP 89 2HZ TRP 89 -1.558 0.724 -11.876 695 HZ3 TRP 89 3HZ TRP 89 -3.613 0.861 -8.140 696 HH2 TRP 89 2HH TRP 89 -3.629 0.582 -10.565 697 H HIS 90 HN HIS 90 4.808 0.877 -7.346 698 HA HIS 90 HA HIS 90 5.946 1.808 -4.819 699 HB2 HIS 90 2HB HIS 90 7.243 0.130 -5.983 700 HB3 HIS 90 3HB HIS 90 7.227 1.078 -7.459 701 HD1 HIS 90 1HD HIS 90 9.689 1.468 -7.751 702 HD2 HIS 90 2HD HIS 90 8.355 2.480 -3.934 703 HE1 HIS 90 1HE HIS 90 11.630 2.605 -6.627 704 HE2 HIS 90 2HE HIS 90 10.879 2.997 -4.261 705 H VAL 91 HN VAL 91 6.080 3.879 -4.374 706 HA VAL 91 HA VAL 91 5.576 5.833 -6.472 707 HB VAL 91 HB VAL 91 5.885 6.233 -3.487 708 HG11 VAL 91 1HG1 VAL 91 4.809 8.408 -3.891 709 HG12 VAL 91 2HG1 VAL 91 4.870 8.102 -5.628 710 HG13 VAL 91 3HG1 VAL 91 6.367 8.272 -4.709 711 HG21 VAL 91 3HG2 VAL 91 3.394 6.023 -5.178 712 HG22 VAL 91 1HG2 VAL 91 3.439 6.433 -3.463 713 HG23 VAL 91 2HG2 VAL 91 3.961 4.837 -4.002 714 HA PRO 92 HA PRO 92 10.016 6.413 -6.715 715 HB2 PRO 92 2HB PRO 92 9.978 7.885 -8.981 716 HB3 PRO 92 3HB PRO 92 9.761 6.132 -8.985 717 HG2 PRO 92 2HG PRO 92 7.714 8.300 -9.192 718 HG3 PRO 92 3HG PRO 92 7.800 6.757 -10.066 719 HD2 PRO 92 2HD PRO 92 6.186 7.206 -7.900 720 HD3 PRO 92 3HD PRO 92 6.798 5.608 -8.364 721 H ASP 93 HN ASP 93 7.560 8.920 -6.749 722 HA ASP 93 HA ASP 93 9.244 10.693 -5.251 723 HB2 ASP 93 2HB ASP 93 9.943 11.033 -7.681 724 HB3 ASP 93 3HB ASP 93 8.344 11.731 -7.935 725 H PHE 94 HN PHE 94 8.139 12.504 -4.413 726 HA PHE 94 HA PHE 94 5.239 12.555 -4.809 727 HB2 PHE 94 2HB PHE 94 4.914 12.568 -2.333 728 HB3 PHE 94 3HB PHE 94 5.548 11.048 -2.950 729 HD1 PHE 94 2HD PHE 94 7.944 10.489 -2.627 730 HD2 PHE 94 1HD PHE 94 6.140 13.871 -0.779 731 HE1 PHE 94 2HE PHE 94 9.831 10.632 -1.057 732 HE2 PHE 94 1HE PHE 94 8.028 14.025 0.794 733 HZ PHE 94 HZ PHE 94 9.874 12.400 0.654 734 H HIS 95 HN HIS 95 4.341 14.550 -4.667 735 HA HIS 95 HA HIS 95 6.071 16.832 -4.159 736 HB2 HIS 95 2HB HIS 95 4.653 16.888 -6.115 737 HB3 HIS 95 3HB HIS 95 3.230 16.519 -5.156 738 HD1 HIS 95 1HD HIS 95 5.173 19.281 -6.518 739 HD2 HIS 95 2HD HIS 95 2.370 18.748 -3.493 740 HE1 HIS 95 1HE HIS 95 4.286 21.576 -6.001 741 HE2 HIS 95 2HE HIS 95 2.476 21.208 -4.285 742 H GLY 96 HN GLY 96 6.218 17.708 -2.154 743 HA2 GLY 96 2HA GLY 96 4.935 18.876 -0.402 744 HA3 GLY 96 3HA GLY 96 3.840 17.503 -0.401 745 H THR 97 HN THR 97 4.301 17.573 1.947 746 HA THR 97 HA THR 97 6.759 16.073 2.564 747 HB THR 97 HB THR 97 5.345 18.049 4.380 748 HG1 THR 97 1HG THR 97 7.923 18.320 3.191 749 HG21 THR 97 3HG2 THR 97 7.285 17.761 5.843 750 HG22 THR 97 1HG2 THR 97 7.965 16.576 4.729 751 HG23 THR 97 2HG2 THR 97 6.465 16.221 5.589 752 H LEU 98 HN LEU 98 6.443 14.167 3.562 753 HA LEU 98 HA LEU 98 3.724 13.245 3.599 754 HB2 LEU 98 2HB LEU 98 4.902 11.045 4.335 755 HB3 LEU 98 3HB LEU 98 5.006 11.617 2.684 756 HG LEU 98 HG LEU 98 7.228 12.747 3.624 757 HD11 LEU 98 1HD1 LEU 98 8.378 11.223 5.147 758 HD12 LEU 98 2HD1 LEU 98 6.898 10.278 5.319 759 HD13 LEU 98 3HD1 LEU 98 6.955 11.943 5.902 760 HD21 LEU 98 3HD2 LEU 98 6.974 9.868 2.785 761 HD22 LEU 98 1HD2 LEU 98 8.425 10.865 2.672 762 HD23 LEU 98 2HD2 LEU 98 7.001 11.263 1.704 763 H GLN 99 HN GLN 99 2.430 13.083 5.178 764 HA GLN 99 HA GLN 99 3.402 13.040 7.945 765 HB2 GLN 99 2HB GLN 99 1.828 14.773 8.566 766 HB3 GLN 99 3HB GLN 99 2.821 15.371 7.236 767 HG2 GLN 99 2HG GLN 99 0.993 14.779 5.674 768 HG3 GLN 99 3HG GLN 99 -0.010 14.363 7.064 769 HE21 GLN 99 1HE2 GLN 99 1.552 16.912 5.311 770 HE22 GLN 99 2HE2 GLN 99 0.698 18.224 6.045 771 H ALA 100 HN ALA 100 1.535 12.415 9.453 772 HA ALA 100 HA ALA 100 -0.151 10.440 8.062 773 HB1 ALA 100 1HB ALA 100 1.312 9.487 9.751 774 HB2 ALA 100 2HB ALA 100 -0.377 9.315 10.221 775 HB3 ALA 100 3HB ALA 100 0.625 10.558 10.973 776 H HIS 101 HN HIS 101 -2.250 10.758 7.895 777 HA HIS 101 HA HIS 101 -3.521 12.685 9.719 778 HB2 HIS 101 2HB HIS 101 -3.526 13.403 7.360 779 HB3 HIS 101 3HB HIS 101 -4.357 11.917 6.916 780 HD1 HIS 101 1HD HIS 101 -5.068 14.563 9.580 781 HD2 HIS 101 2HD HIS 101 -6.953 12.520 6.481 782 HE1 HIS 101 1HE HIS 101 -7.447 15.383 9.574 783 HE2 HIS 101 2HE HIS 101 -8.587 14.098 7.730 784 H GLU 102 HN GLU 102 -4.491 9.917 7.661 785 HA GLU 102 HA GLU 102 -6.527 9.161 9.567 786 HB2 GLU 102 2HB GLU 102 -5.550 7.822 7.039 787 HB3 GLU 102 3HB GLU 102 -6.949 7.301 7.975 788 HG2 GLU 102 2HG GLU 102 -6.680 10.007 6.685 789 HG3 GLU 102 3HG GLU 102 -7.487 8.626 5.944 790 H HIS 103 HN HIS 103 -3.339 8.116 8.570 791 HA HIS 103 HA HIS 103 -3.308 5.941 10.504 792 HB2 HIS 103 2HB HIS 103 -1.124 7.019 8.699 793 HB3 HIS 103 3HB HIS 103 -0.950 5.632 9.761 794 HD1 HIS 103 1HD HIS 103 -3.036 6.700 6.742 795 HD2 HIS 103 2HD HIS 103 -1.671 3.264 8.660 796 HE1 HIS 103 1HE HIS 103 -3.648 4.782 5.238 797 HE2 HIS 103 2HE HIS 103 -3.024 2.709 6.523 798 H GLN 104 HN GLN 104 -1.200 5.929 11.960 799 HA GLN 104 HA GLN 104 -1.452 8.406 13.492 800 HB2 GLN 104 2HB GLN 104 -1.978 6.309 14.628 801 HB3 GLN 104 3HB GLN 104 -0.354 5.715 14.306 802 HG2 GLN 104 2HG GLN 104 0.616 7.253 15.794 803 HG3 GLN 104 3HG GLN 104 -0.859 8.214 15.886 804 HE21 GLN 104 1HE2 GLN 104 -2.595 5.912 16.110 805 HE22 GLN 104 2HE2 GLN 104 -2.394 5.307 17.718 806 H ALA 105 HN ALA 105 1.271 6.133 12.941 807 HA ALA 105 HA ALA 105 3.023 8.499 12.789 808 HB1 ALA 105 1HB ALA 105 3.666 5.865 14.108 809 HB2 ALA 105 2HB ALA 105 3.303 7.379 14.940 810 HB3 ALA 105 3HB ALA 105 4.758 7.242 13.953 811 H LEU 106 HN LEU 106 5.131 8.054 11.664 812 HA LEU 106 HA LEU 106 4.767 6.088 9.503 813 HB2 LEU 106 2HB LEU 106 6.207 8.743 9.322 814 HB3 LEU 106 3HB LEU 106 6.022 7.582 8.030 815 HG LEU 106 HG LEU 106 4.526 9.270 7.499 816 HD11 LEU 106 1HD1 LEU 106 2.904 7.216 8.977 817 HD12 LEU 106 2HD1 LEU 106 3.470 7.109 7.311 818 HD13 LEU 106 3HD1 LEU 106 2.288 8.337 7.763 819 HD21 LEU 106 3HD2 LEU 106 2.980 10.322 9.060 820 HD22 LEU 106 1HD2 LEU 106 4.653 10.506 9.587 821 HD23 LEU 106 2HD2 LEU 106 3.608 9.318 10.369 822 H VAL 107 HN VAL 107 6.481 4.729 9.165 823 HA VAL 107 HA VAL 107 9.089 5.582 10.222 824 HB VAL 107 HB VAL 107 8.128 3.805 11.689 825 HG11 VAL 107 1HG1 VAL 107 6.871 2.521 10.094 826 HG12 VAL 107 2HG1 VAL 107 8.087 1.484 10.841 827 HG13 VAL 107 3HG1 VAL 107 8.340 2.107 9.212 828 HG21 VAL 107 3HG2 VAL 107 10.605 3.036 10.149 829 HG22 VAL 107 1HG2 VAL 107 10.141 2.401 11.730 830 HG23 VAL 107 2HG2 VAL 107 10.530 4.112 11.546 831 H TRP 108 HN TRP 108 10.747 5.398 8.831 832 HA TRP 108 HA TRP 108 10.194 4.080 6.275 833 HB2 TRP 108 2HB TRP 108 12.340 5.504 5.644 834 HB3 TRP 108 3HB TRP 108 10.726 6.200 5.607 835 HD1 TRP 108 1HD TRP 108 13.965 6.271 7.647 836 HE1 TRP 108 1HE TRP 108 13.940 8.363 9.149 837 HE3 TRP 108 3HE TRP 108 9.191 7.842 6.753 838 HZ2 TRP 108 2HZ TRP 108 12.125 10.419 9.851 839 HZ3 TRP 108 3HZ TRP 108 8.384 9.878 7.874 840 HH2 TRP 108 2HH TRP 108 9.820 11.139 9.392 841 H CYS 109 HN CYS 109 11.074 2.231 5.975 842 HA CYS 109 HA CYS 109 13.716 1.616 7.026 843 HB2 CYS 109 2HB CYS 109 12.896 -0.542 8.023 844 HB3 CYS 109 3HB CYS 109 12.396 0.905 8.893 845 HG CYS 109 HG CYS 109 10.115 0.070 6.655 846 H SER 110 HN SER 110 14.529 -0.471 6.138 847 HA SER 110 HA SER 110 14.002 -0.434 3.317 848 HB2 SER 110 2HB SER 110 15.780 -2.336 3.429 849 HB3 SER 110 3HB SER 110 16.276 -0.691 3.832 850 HG SER 110 HG SER 110 17.042 -2.012 5.439 851 HA PRO 111 HA PRO 111 11.108 -3.694 2.740 852 HB2 PRO 111 2HB PRO 111 12.611 -5.538 1.237 853 HB3 PRO 111 3HB PRO 111 11.593 -4.242 0.607 854 HG2 PRO 111 2HG PRO 111 14.541 -4.313 1.012 855 HG3 PRO 111 3HG PRO 111 13.593 -3.497 -0.245 856 HD2 PRO 111 2HD PRO 111 14.694 -2.125 1.771 857 HD3 PRO 111 3HD PRO 111 13.098 -1.690 1.124 858 H GLU 112 HN GLU 112 14.356 -4.931 3.516 859 HA GLU 112 HA GLU 112 13.503 -7.440 4.498 860 HB2 GLU 112 2HB GLU 112 15.754 -7.516 5.574 861 HB3 GLU 112 3HB GLU 112 15.814 -7.099 3.866 862 HG2 GLU 112 2HG GLU 112 16.046 -4.728 4.473 863 HG3 GLU 112 3HG GLU 112 16.041 -5.180 6.176 864 H GLU 113 HN GLU 113 13.995 -4.310 6.046 865 HA GLU 113 HA GLU 113 13.542 -5.216 8.705 866 HB2 GLU 113 2HB GLU 113 13.279 -2.443 7.524 867 HB3 GLU 113 3HB GLU 113 13.317 -2.819 9.240 868 HG2 GLU 113 2HG GLU 113 15.556 -3.448 7.341 869 HG3 GLU 113 3HG GLU 113 15.455 -1.967 8.292 870 H ALA 114 HN ALA 114 11.519 -3.866 6.167 871 HA ALA 114 HA ALA 114 9.304 -3.139 7.715 872 HB1 ALA 114 1HB ALA 114 9.344 -4.004 4.825 873 HB2 ALA 114 2HB ALA 114 9.668 -2.374 5.416 874 HB3 ALA 114 3HB ALA 114 8.067 -3.084 5.621 875 H LEU 115 HN LEU 115 10.139 -6.233 6.229 876 HA LEU 115 HA LEU 115 7.583 -7.388 6.734 877 HB2 LEU 115 2HB LEU 115 9.718 -7.982 5.124 878 HB3 LEU 115 3HB LEU 115 9.847 -9.212 6.364 879 HG LEU 115 HG LEU 115 8.525 -9.735 4.209 880 HD11 LEU 115 1HD1 LEU 115 6.976 -11.167 5.431 881 HD12 LEU 115 2HD1 LEU 115 7.298 -10.262 6.911 882 HD13 LEU 115 3HD1 LEU 115 8.586 -11.201 6.153 883 HD21 LEU 115 3HD2 LEU 115 6.334 -8.328 5.738 884 HD22 LEU 115 1HD2 LEU 115 6.222 -9.102 4.159 885 HD23 LEU 115 2HD2 LEU 115 7.165 -7.624 4.353 886 H GLN 116 HN GLN 116 10.241 -6.742 8.734 887 HA GLN 116 HA GLN 116 9.522 -8.856 10.613 888 HB2 GLN 116 2HB GLN 116 11.728 -6.805 10.624 889 HB3 GLN 116 3HB GLN 116 11.404 -7.887 11.972 890 HG2 GLN 116 2HG GLN 116 12.126 -8.728 9.174 891 HG3 GLN 116 3HG GLN 116 13.204 -8.710 10.563 892 HE21 GLN 116 1HE2 GLN 116 11.172 -9.679 12.411 893 HE22 GLN 116 2HE2 GLN 116 10.962 -11.363 12.052 894 H TYR 117 HN TYR 117 8.378 -5.931 9.798 895 HA TYR 117 HA TYR 117 7.668 -5.092 12.503 896 HB2 TYR 117 2HB TYR 117 7.217 -3.914 9.767 897 HB3 TYR 117 3HB TYR 117 6.283 -3.354 11.147 898 HD1 TYR 117 1HD TYR 117 9.817 -3.878 10.076 899 HD2 TYR 117 2HD TYR 117 7.096 -1.598 12.411 900 HE1 TYR 117 1HE TYR 117 11.628 -2.311 10.636 901 HE2 TYR 117 2HE TYR 117 8.896 -0.023 12.983 902 HH TYR 117 HH TYR 117 11.872 0.031 11.356 903 HA PRO 118 HA PRO 118 3.717 -7.126 12.414 904 HB2 PRO 118 2HB PRO 118 2.119 -5.303 13.648 905 HB3 PRO 118 3HB PRO 118 3.277 -6.324 14.515 906 HG2 PRO 118 2HG PRO 118 3.532 -3.478 13.631 907 HG3 PRO 118 3HG PRO 118 4.024 -4.221 15.163 908 HD2 PRO 118 2HD PRO 118 5.778 -3.674 13.175 909 HD3 PRO 118 3HD PRO 118 5.986 -5.062 14.262 910 H LEU 119 HN LEU 119 3.854 -6.703 10.001 911 HA LEU 119 HA LEU 119 2.128 -4.641 8.960 912 HB2 LEU 119 2HB LEU 119 3.497 -7.001 7.662 913 HB3 LEU 119 3HB LEU 119 2.479 -5.879 6.782 914 HG LEU 119 HG LEU 119 5.069 -5.195 8.187 915 HD11 LEU 119 1HD1 LEU 119 4.342 -5.340 5.266 916 HD12 LEU 119 2HD1 LEU 119 5.406 -6.447 6.134 917 HD13 LEU 119 3HD1 LEU 119 5.875 -4.760 5.918 918 HD21 LEU 119 3HD2 LEU 119 3.254 -3.454 6.527 919 HD22 LEU 119 1HD2 LEU 119 4.798 -2.988 7.234 920 HD23 LEU 119 2HD2 LEU 119 3.429 -3.364 8.280 921 H ALA 120 HN ALA 120 0.146 -5.006 7.865 922 HA ALA 120 HA ALA 120 -1.552 -6.926 9.099 923 HB1 ALA 120 1HB ALA 120 -2.365 -4.744 8.334 924 HB2 ALA 120 2HB ALA 120 -3.275 -6.067 7.602 925 HB3 ALA 120 3HB ALA 120 -2.048 -5.213 6.664 926 HA PRO 121 HA PRO 121 -1.234 -10.559 6.639 927 HB2 PRO 121 2HB PRO 121 -3.872 -11.023 5.920 928 HB3 PRO 121 3HB PRO 121 -3.131 -11.501 7.452 929 HG2 PRO 121 2HG PRO 121 -4.811 -9.111 6.818 930 HG3 PRO 121 3HG PRO 121 -4.821 -10.139 8.264 931 HD2 PRO 121 2HD PRO 121 -3.649 -7.741 8.296 932 HD3 PRO 121 3HD PRO 121 -2.926 -9.120 9.151 933 H ALA 122 HN ALA 122 -2.647 -7.741 5.253 934 HA ALA 122 HA ALA 122 -2.642 -8.876 2.568 935 HB1 ALA 122 1HB ALA 122 -4.511 -7.432 3.279 936 HB2 ALA 122 2HB ALA 122 -3.663 -6.809 1.867 937 HB3 ALA 122 3HB ALA 122 -3.379 -6.090 3.452 938 H ASP 123 HN ASP 123 -0.778 -6.850 4.641 939 HA ASP 123 HA ASP 123 0.691 -5.511 2.550 940 HB2 ASP 123 2HB ASP 123 1.046 -5.565 5.555 941 HB3 ASP 123 3HB ASP 123 1.970 -4.544 4.458 942 H ILE 124 HN ILE 124 1.044 -8.317 4.535 943 HA ILE 124 HA ILE 124 3.846 -8.518 4.578 944 HB ILE 124 HB ILE 124 1.778 -10.715 4.743 945 HG12 ILE 124 2HG1 ILE 124 3.302 -9.263 6.917 946 HG13 ILE 124 3HG1 ILE 124 1.619 -8.971 6.495 947 HG21 ILE 124 1HG2 ILE 124 4.711 -10.769 5.455 948 HG22 ILE 124 2HG2 ILE 124 3.947 -11.625 4.114 949 HG23 ILE 124 3HG2 ILE 124 3.552 -12.061 5.778 950 HD11 ILE 124 3HD1 ILE 124 1.056 -11.250 7.152 951 HD12 ILE 124 1HD1 ILE 124 1.810 -10.361 8.476 952 HD13 ILE 124 2HD1 ILE 124 2.744 -11.548 7.566 953 HA PRO 125 HA PRO 125 3.453 -11.463 0.695 954 HB2 PRO 125 2HB PRO 125 1.155 -11.073 -0.786 955 HB3 PRO 125 3HB PRO 125 1.395 -12.388 0.372 956 HG2 PRO 125 2HG PRO 125 -0.007 -9.772 0.739 957 HG3 PRO 125 3HG PRO 125 -0.487 -11.388 1.294 958 HD2 PRO 125 2HD PRO 125 0.612 -9.622 2.968 959 HD3 PRO 125 3HD PRO 125 1.001 -11.352 3.074 960 H LEU 126 HN LEU 126 2.098 -8.209 0.746 961 HA LEU 126 HA LEU 126 2.809 -7.549 -1.939 962 HB2 LEU 126 2HB LEU 126 2.211 -5.794 0.449 963 HB3 LEU 126 3HB LEU 126 2.461 -5.191 -1.177 964 HG LEU 126 HG LEU 126 0.221 -7.015 -0.308 965 HD11 LEU 126 1HD1 LEU 126 -1.204 -5.067 -0.716 966 HD12 LEU 126 2HD1 LEU 126 0.229 -4.094 -1.056 967 HD13 LEU 126 3HD1 LEU 126 -0.025 -4.755 0.559 968 HD21 LEU 126 3HD2 LEU 126 0.919 -7.416 -2.616 969 HD22 LEU 126 1HD2 LEU 126 0.755 -5.696 -2.966 970 HD23 LEU 126 2HD2 LEU 126 -0.668 -6.651 -2.547 971 H LEU 127 HN LEU 127 4.256 -7.047 1.238 972 HA LEU 127 HA LEU 127 6.530 -5.658 0.208 973 HB2 LEU 127 2HB LEU 127 5.573 -5.491 2.550 974 HB3 LEU 127 3HB LEU 127 6.305 -7.047 2.871 975 HG LEU 127 HG LEU 127 7.592 -5.026 3.675 976 HD11 LEU 127 1HD1 LEU 127 8.683 -7.169 3.474 977 HD12 LEU 127 2HD1 LEU 127 9.772 -5.873 2.984 978 HD13 LEU 127 3HD1 LEU 127 8.987 -6.873 1.763 979 HD21 LEU 127 3HD2 LEU 127 7.165 -3.613 1.724 980 HD22 LEU 127 1HD2 LEU 127 8.144 -4.699 0.739 981 HD23 LEU 127 2HD2 LEU 127 8.890 -3.787 2.051 982 H GLU 128 HN GLU 128 5.786 -9.012 1.053 983 HA GLU 128 HA GLU 128 8.322 -10.121 0.865 984 HB2 GLU 128 2HB GLU 128 5.588 -11.197 0.196 985 HB3 GLU 128 3HB GLU 128 7.033 -12.186 0.039 986 HG2 GLU 128 2HG GLU 128 6.342 -10.798 2.603 987 HG3 GLU 128 3HG GLU 128 5.677 -12.378 2.189 988 H ALA 129 HN ALA 129 5.986 -9.385 -1.717 989 HA ALA 129 HA ALA 129 7.757 -10.363 -3.747 990 HB1 ALA 129 1HB ALA 129 5.423 -8.536 -4.208 991 HB2 ALA 129 2HB ALA 129 5.260 -10.277 -3.962 992 HB3 ALA 129 3HB ALA 129 6.182 -9.666 -5.333 993 H PHE 130 HN PHE 130 7.293 -7.278 -2.144 994 HA PHE 130 HA PHE 130 8.533 -5.705 -4.147 995 HB2 PHE 130 2HB PHE 130 7.129 -4.805 -2.262 996 HB3 PHE 130 3HB PHE 130 8.462 -5.170 -1.170 997 HD1 PHE 130 1HD PHE 130 7.360 -3.073 -3.964 998 HD2 PHE 130 2HD PHE 130 10.413 -3.780 -1.089 999 HE1 PHE 130 1HE PHE 130 8.347 -0.881 -4.481 1000 HE2 PHE 130 2HE PHE 130 11.408 -1.588 -1.602 1001 HZ PHE 130 HZ PHE 130 10.376 -0.135 -3.300 1002 H MET 131 HN MET 131 9.685 -7.301 -1.185 1003 HA MET 131 HA MET 131 12.403 -6.625 -1.601 1004 HB2 MET 131 2HB MET 131 12.950 -8.153 0.133 1005 HB3 MET 131 3HB MET 131 11.400 -7.448 0.581 1006 HG2 MET 131 2HG MET 131 10.237 -9.421 -0.025 1007 HG3 MET 131 3HG MET 131 11.662 -10.106 -0.797 1008 HE1 MET 131 3HE MET 131 11.233 -9.553 3.766 1009 HE2 MET 131 1HE MET 131 10.005 -9.073 2.596 1010 HE3 MET 131 2HE MET 131 11.537 -8.205 2.673 1011 H ALA 132 HN ALA 132 10.420 -9.433 -2.596 1012 HA ALA 132 HA ALA 132 12.329 -10.983 -3.816 1013 HB1 ALA 132 1HB ALA 132 10.484 -11.763 -5.270 1014 HB2 ALA 132 2HB ALA 132 9.484 -10.422 -4.694 1015 HB3 ALA 132 3HB ALA 132 10.016 -11.679 -3.571 1016 H LEU 133 HN LEU 133 10.629 -8.157 -5.078 1017 HA LEU 133 HA LEU 133 11.562 -8.343 -7.726 1018 HB2 LEU 133 2HB LEU 133 10.060 -6.465 -6.107 1019 HB3 LEU 133 3HB LEU 133 11.130 -5.639 -7.221 1020 HG LEU 133 HG LEU 133 10.113 -6.865 -9.100 1021 HD11 LEU 133 1HD1 LEU 133 8.206 -7.939 -7.026 1022 HD12 LEU 133 2HD1 LEU 133 9.430 -8.876 -7.881 1023 HD13 LEU 133 3HD1 LEU 133 8.087 -8.164 -8.773 1024 HD21 LEU 133 3HD2 LEU 133 8.163 -5.398 -7.330 1025 HD22 LEU 133 1HD2 LEU 133 7.953 -5.706 -9.055 1026 HD23 LEU 133 2HD2 LEU 133 9.270 -4.674 -8.496 1027 H ARG 134 HN ARG 134 12.956 -6.884 -4.845 1028 HA ARG 134 HA ARG 134 14.993 -5.578 -6.445 1029 HB2 ARG 134 2HB ARG 134 14.562 -5.554 -3.457 1030 HB3 ARG 134 3HB ARG 134 15.689 -4.535 -4.345 1031 HG2 ARG 134 2HG ARG 134 13.809 -3.511 -5.536 1032 HG3 ARG 134 3HG ARG 134 12.691 -4.515 -4.610 1033 HD2 ARG 134 2HD ARG 134 12.745 -2.377 -3.575 1034 HD3 ARG 134 3HD ARG 134 13.628 -3.489 -2.532 1035 HE ARG 134 HE ARG 134 15.700 -2.514 -3.451 1036 HH11 ARG 134 1HH1 ARG 134 12.721 -0.734 -3.845 1037 HH12 ARG 134 2HH1 ARG 134 13.486 0.825 -3.895 1038 HH21 ARG 134 1HH2 ARG 134 16.730 -0.473 -3.491 1039 HH22 ARG 134 2HH2 ARG 134 15.782 0.971 -3.721 1040 H ALA 135 HN ALA 135 14.627 -8.497 -4.637 1041 HA ALA 135 HA ALA 135 17.515 -8.759 -4.279 1042 HB1 ALA 135 1HB ALA 135 16.106 -9.324 -2.379 1043 HB2 ALA 135 2HB ALA 135 16.983 -10.741 -2.955 1044 HB3 ALA 135 3HB ALA 135 15.274 -10.543 -3.344 1045 H ALA 136 HN ALA 136 14.810 -10.329 -5.941 1046 HA ALA 136 HA ALA 136 16.661 -12.138 -7.289 1047 HB1 ALA 136 1HB ALA 136 14.545 -13.048 -6.436 1048 HB2 ALA 136 2HB ALA 136 14.678 -13.222 -8.187 1049 HB3 ALA 136 3HB ALA 136 13.655 -11.957 -7.503 1050 H ARG 137 HN ARG 137 14.500 -9.462 -7.938 1051 HA ARG 137 HA ARG 137 14.331 -7.969 -9.618 1052 HB2 ARG 137 2HB ARG 137 16.765 -7.728 -9.365 1053 HB3 ARG 137 3HB ARG 137 17.019 -9.039 -10.509 1054 HG2 ARG 137 2HG ARG 137 16.045 -7.738 -12.288 1055 HG3 ARG 137 3HG ARG 137 15.622 -6.449 -11.159 1056 HD2 ARG 137 2HD ARG 137 17.608 -5.817 -12.352 1057 HD3 ARG 137 3HD ARG 137 18.030 -6.149 -10.675 1058 HE ARG 137 HE ARG 137 18.450 -8.171 -12.775 1059 HH11 ARG 137 1HH1 ARG 137 19.704 -6.108 -10.233 1060 HH12 ARG 137 2HH1 ARG 137 21.259 -6.893 -10.198 1061 HH21 ARG 137 1HH2 ARG 137 20.489 -9.176 -12.745 1062 HH22 ARG 137 2HH2 ARG 137 21.700 -8.640 -11.613 1063 HA PRO 138 HA PRO 138 12.538 -10.817 -12.615 1064 HB2 PRO 138 2HB PRO 138 10.467 -9.220 -13.287 1065 HB3 PRO 138 3HB PRO 138 10.473 -10.182 -11.805 1066 HG2 PRO 138 2HG PRO 138 11.058 -7.272 -12.178 1067 HG3 PRO 138 3HG PRO 138 10.128 -8.072 -10.897 1068 HD2 PRO 138 2HD PRO 138 12.723 -7.255 -10.604 1069 HD3 PRO 138 3HD PRO 138 12.010 -8.605 -9.698 1070 H ALA 139 HN ALA 139 12.223 -10.698 -14.906 1071 HA ALA 139 HA ALA 139 12.695 -10.094 -17.039 1072 HB1 ALA 139 1HB ALA 139 12.841 -7.739 -17.646 1073 HB2 ALA 139 2HB ALA 139 12.977 -7.296 -15.945 1074 HB3 ALA 139 3HB ALA 139 11.487 -8.019 -16.550 1075 H ASP 140 HN ASP 140 14.721 -10.922 -15.110 1076 HA ASP 140 HA ASP 140 17.109 -9.619 -16.229 1077 HB2 ASP 140 2HB ASP 140 16.884 -9.641 -13.734 1078 HB3 ASP 140 3HB ASP 140 16.952 -11.402 -13.789 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -30.965 -7.047 -1.465 2 H2 GLY 1 2H GLY 1 -31.175 -5.796 -2.586 3 H3 GLY 1 3H GLY 1 -31.907 -5.695 -1.058 4 HA2 GLY 1 3HA GLY 1 -29.996 -4.269 -1.089 5 HA3 GLY 1 2HA GLY 1 -29.704 -5.632 -0.013 6 HA PRO 2 HA PRO 2 -26.025 -6.306 -2.456 7 HB2 PRO 2 2HB PRO 2 -25.875 -8.976 -1.288 8 HB3 PRO 2 3HB PRO 2 -24.802 -7.596 -1.047 9 HG2 PRO 2 2HG PRO 2 -26.456 -8.533 0.889 10 HG3 PRO 2 3HG PRO 2 -25.977 -6.831 0.768 11 HD2 PRO 2 2HD PRO 2 -28.529 -8.150 -0.080 12 HD3 PRO 2 3HD PRO 2 -28.278 -6.574 0.704 13 H LEU 3 HN LEU 3 -26.818 -6.500 -4.540 14 HA LEU 3 HA LEU 3 -28.126 -8.946 -5.368 15 HB2 LEU 3 2HB LEU 3 -28.758 -6.740 -6.319 16 HB3 LEU 3 3HB LEU 3 -27.165 -6.621 -7.041 17 HG LEU 3 HG LEU 3 -27.641 -8.606 -8.417 18 HD11 LEU 3 1HD1 LEU 3 -29.225 -9.697 -6.890 19 HD12 LEU 3 2HD1 LEU 3 -30.411 -8.438 -7.234 20 HD13 LEU 3 3HD1 LEU 3 -29.884 -9.529 -8.516 21 HD21 LEU 3 3HD2 LEU 3 -28.106 -6.380 -9.295 22 HD22 LEU 3 1HD2 LEU 3 -29.270 -7.558 -9.904 23 HD23 LEU 3 2HD2 LEU 3 -29.731 -6.444 -8.616 24 H GLY 4 HN GLY 4 -26.812 -10.648 -5.345 25 HA2 GLY 4 2HA GLY 4 -25.181 -11.835 -6.778 26 HA3 GLY 4 3HA GLY 4 -24.183 -10.388 -6.671 27 H SER 5 HN SER 5 -23.321 -12.989 -5.923 28 HA SER 5 HA SER 5 -23.657 -13.418 -3.136 29 HB2 SER 5 2HB SER 5 -21.784 -15.075 -3.465 30 HB3 SER 5 3HB SER 5 -23.172 -15.306 -4.529 31 HG SER 5 HG SER 5 -21.812 -15.147 -6.114 32 H MET 6 HN MET 6 -21.361 -11.611 -5.044 33 HA MET 6 HA MET 6 -20.009 -10.772 -2.607 34 HB2 MET 6 2HB MET 6 -17.785 -11.244 -3.551 35 HB3 MET 6 3HB MET 6 -18.725 -12.706 -3.297 36 HG2 MET 6 2HG MET 6 -19.304 -12.691 -5.708 37 HG3 MET 6 3HG MET 6 -18.231 -11.309 -5.917 38 HE1 MET 6 3HE MET 6 -17.990 -14.048 -7.589 39 HE2 MET 6 1HE MET 6 -16.935 -12.654 -7.826 40 HE3 MET 6 2HE MET 6 -16.239 -14.256 -7.590 41 H LYS 7 HN LYS 7 -19.554 -8.690 -2.628 42 HA LYS 7 HA LYS 7 -19.265 -7.299 -5.199 43 HB2 LYS 7 2HB LYS 7 -20.147 -6.441 -2.489 44 HB3 LYS 7 3HB LYS 7 -19.204 -5.283 -3.414 45 HG2 LYS 7 2HG LYS 7 -21.535 -4.863 -3.762 46 HG3 LYS 7 3HG LYS 7 -20.832 -5.477 -5.256 47 HD2 LYS 7 2HD LYS 7 -21.721 -7.709 -4.738 48 HD3 LYS 7 3HD LYS 7 -22.454 -7.065 -3.267 49 HE2 LYS 7 2HE LYS 7 -24.123 -7.190 -5.002 50 HE3 LYS 7 3HE LYS 7 -23.771 -5.500 -4.653 51 HZ1 LYS 7 3HZ LYS 7 -23.929 -5.911 -7.027 52 HZ2 LYS 7 1HZ LYS 7 -22.682 -7.056 -6.938 53 HZ3 LYS 7 2HZ LYS 7 -22.359 -5.422 -6.615 54 H MET 8 HN MET 8 -17.413 -5.892 -5.466 55 HA MET 8 HA MET 8 -15.130 -7.026 -4.017 56 HB2 MET 8 2HB MET 8 -15.361 -5.814 -6.758 57 HB3 MET 8 3HB MET 8 -13.806 -6.090 -5.983 58 HG2 MET 8 2HG MET 8 -14.299 -8.465 -5.814 59 HG3 MET 8 3HG MET 8 -15.872 -8.203 -6.561 60 HE1 MET 8 3HE MET 8 -12.436 -6.514 -7.446 61 HE2 MET 8 1HE MET 8 -11.970 -8.180 -7.098 62 HE3 MET 8 2HE MET 8 -11.853 -7.558 -8.744 63 H ILE 9 HN ILE 9 -13.707 -5.886 -2.988 64 HA ILE 9 HA ILE 9 -14.051 -2.959 -2.797 65 HB ILE 9 HB ILE 9 -12.880 -4.920 -0.822 66 HG12 ILE 9 2HG1 ILE 9 -15.470 -3.370 -0.800 67 HG13 ILE 9 3HG1 ILE 9 -15.275 -5.119 -0.851 68 HG21 ILE 9 1HG2 ILE 9 -13.367 -2.002 -0.298 69 HG22 ILE 9 2HG2 ILE 9 -12.479 -3.174 0.695 70 HG23 ILE 9 3HG2 ILE 9 -11.816 -2.634 -0.853 71 HD11 ILE 9 3HD1 ILE 9 -15.934 -4.435 1.355 72 HD12 ILE 9 1HD1 ILE 9 -14.276 -5.043 1.398 73 HD13 ILE 9 2HD1 ILE 9 -14.581 -3.306 1.445 74 H GLU 10 HN GLU 10 -12.469 -1.969 -3.947 75 HA GLU 10 HA GLU 10 -9.957 -3.426 -4.311 76 HB2 GLU 10 2HB GLU 10 -11.085 -1.079 -5.845 77 HB3 GLU 10 3HB GLU 10 -9.475 -1.741 -6.099 78 HG2 GLU 10 2HG GLU 10 -10.893 -3.988 -6.338 79 HG3 GLU 10 3HG GLU 10 -12.112 -2.824 -6.856 80 H VAL 11 HN VAL 11 -8.202 -2.856 -3.271 81 HA VAL 11 HA VAL 11 -8.171 -0.237 -1.940 82 HB VAL 11 HB VAL 11 -7.276 -2.886 -0.771 83 HG11 VAL 11 1HG1 VAL 11 -6.739 -1.621 1.255 84 HG12 VAL 11 2HG1 VAL 11 -5.768 -1.085 -0.117 85 HG13 VAL 11 3HG1 VAL 11 -7.142 -0.118 0.422 86 HG21 VAL 11 3HG2 VAL 11 -9.500 -1.020 0.042 87 HG22 VAL 11 1HG2 VAL 11 -9.690 -2.605 -0.705 88 HG23 VAL 11 2HG2 VAL 11 -9.008 -2.471 0.917 89 H VAL 12 HN VAL 12 -6.459 0.887 -2.515 90 HA VAL 12 HA VAL 12 -4.247 -0.523 -3.812 91 HB VAL 12 HB VAL 12 -3.581 1.934 -4.405 92 HG11 VAL 12 1HG1 VAL 12 -4.224 0.267 -6.039 93 HG12 VAL 12 2HG1 VAL 12 -5.930 0.526 -5.671 94 HG13 VAL 12 3HG1 VAL 12 -4.988 1.810 -6.426 95 HG21 VAL 12 3HG2 VAL 12 -5.505 3.436 -4.644 96 HG22 VAL 12 1HG2 VAL 12 -6.534 2.244 -3.850 97 HG23 VAL 12 2HG2 VAL 12 -5.226 3.015 -2.953 98 H ALA 13 HN ALA 13 -2.245 -0.534 -2.986 99 HA ALA 13 HA ALA 13 -1.824 0.968 -0.492 100 HB1 ALA 13 1HB ALA 13 -0.344 -0.828 0.233 101 HB2 ALA 13 2HB ALA 13 -1.945 -1.476 -0.133 102 HB3 ALA 13 3HB ALA 13 -0.618 -1.690 -1.279 103 H ALA 14 HN ALA 14 -0.203 2.389 -0.528 104 HA ALA 14 HA ALA 14 1.488 2.440 -2.931 105 HB1 ALA 14 1HB ALA 14 0.226 4.462 -2.673 106 HB2 ALA 14 2HB ALA 14 0.730 4.623 -0.991 107 HB3 ALA 14 3HB ALA 14 1.906 4.816 -2.289 108 H ILE 15 HN ILE 15 3.488 1.761 -2.703 109 HA ILE 15 HA ILE 15 4.672 1.628 -0.051 110 HB ILE 15 HB ILE 15 5.578 0.595 -2.740 111 HG12 ILE 15 2HG1 ILE 15 4.363 -0.627 -0.279 112 HG13 ILE 15 3HG1 ILE 15 3.869 -0.797 -1.960 113 HG21 ILE 15 1HG2 ILE 15 6.962 0.208 -0.095 114 HG22 ILE 15 2HG2 ILE 15 7.464 -0.434 -1.654 115 HG23 ILE 15 3HG2 ILE 15 7.510 1.305 -1.363 116 HD11 ILE 15 3HD1 ILE 15 5.853 -2.157 -2.397 117 HD12 ILE 15 1HD1 ILE 15 6.322 -1.986 -0.693 118 HD13 ILE 15 2HD1 ILE 15 4.836 -2.849 -1.129 119 H ILE 16 HN ILE 16 5.414 3.579 0.607 120 HA ILE 16 HA ILE 16 6.479 5.478 -1.298 121 HB ILE 16 HB ILE 16 6.499 5.716 1.709 122 HG12 ILE 16 2HG1 ILE 16 4.183 5.152 0.649 123 HG13 ILE 16 3HG1 ILE 16 4.302 6.475 1.802 124 HG21 ILE 16 1HG2 ILE 16 6.408 7.780 -0.486 125 HG22 ILE 16 2HG2 ILE 16 6.400 8.121 1.244 126 HG23 ILE 16 3HG2 ILE 16 7.807 7.359 0.503 127 HD11 ILE 16 3HD1 ILE 16 4.274 6.774 -1.188 128 HD12 ILE 16 1HD1 ILE 16 2.901 7.031 -0.110 129 HD13 ILE 16 2HD1 ILE 16 4.315 8.078 0.002 130 H GLU 17 HN GLU 17 8.548 5.070 -1.958 131 HA GLU 17 HA GLU 17 10.405 4.105 0.110 132 HB2 GLU 17 2HB GLU 17 10.016 2.537 -1.804 133 HB3 GLU 17 3HB GLU 17 10.709 3.754 -2.869 134 HG2 GLU 17 2HG GLU 17 12.727 3.650 -1.237 135 HG3 GLU 17 3HG GLU 17 12.035 2.095 -0.776 136 H ARG 18 HN ARG 18 11.589 5.699 0.823 137 HA ARG 18 HA ARG 18 12.798 7.495 -1.167 138 HB2 ARG 18 2HB ARG 18 11.033 8.636 0.217 139 HB3 ARG 18 3HB ARG 18 12.018 8.312 1.637 140 HG2 ARG 18 2HG ARG 18 12.256 10.605 0.735 141 HG3 ARG 18 3HG ARG 18 13.772 9.711 0.820 142 HD2 ARG 18 2HD ARG 18 12.428 9.338 -1.720 143 HD3 ARG 18 3HD ARG 18 12.749 11.040 -1.395 144 HE ARG 18 HE ARG 18 15.107 9.826 -0.803 145 HH11 ARG 18 2HH1 ARG 18 13.018 9.819 -3.628 146 HH12 ARG 18 1HH1 ARG 18 14.322 9.590 -4.747 147 HH21 ARG 18 2HH2 ARG 18 16.829 9.541 -2.287 148 HH22 ARG 18 1HH2 ARG 18 16.486 9.422 -3.989 149 H ASP 19 HN ASP 19 14.872 7.209 -1.253 150 HA ASP 19 HA ASP 19 17.042 6.832 -0.722 151 HB2 ASP 19 2HB ASP 19 16.090 7.179 2.135 152 HB3 ASP 19 3HB ASP 19 17.775 6.969 1.669 153 H GLY 20 HN GLY 20 14.875 4.709 -0.799 154 HA2 GLY 20 2HA GLY 20 15.218 2.398 -0.957 155 HA3 GLY 20 3HA GLY 20 16.622 2.552 0.089 156 H LYS 21 HN LYS 21 14.153 4.287 1.457 157 HA LYS 21 HA LYS 21 13.422 1.991 3.146 158 HB2 LYS 21 2HB LYS 21 13.518 4.894 3.973 159 HB3 LYS 21 3HB LYS 21 13.217 3.517 5.016 160 HG2 LYS 21 2HG LYS 21 15.672 3.040 3.712 161 HG3 LYS 21 3HG LYS 21 15.699 4.706 4.284 162 HD2 LYS 21 2HD LYS 21 15.306 4.057 6.512 163 HD3 LYS 21 3HD LYS 21 14.854 2.419 6.038 164 HE2 LYS 21 2HE LYS 21 17.059 2.369 6.988 165 HE3 LYS 21 3HE LYS 21 17.180 2.056 5.259 166 HZ1 LYS 21 3HZ LYS 21 18.891 3.578 6.046 167 HZ2 LYS 21 1HZ LYS 21 17.706 4.670 6.573 168 HZ3 LYS 21 2HZ LYS 21 17.876 4.335 4.916 169 H ILE 22 HN ILE 22 11.309 1.770 3.833 170 HA ILE 22 HA ILE 22 9.361 3.055 2.049 171 HB ILE 22 HB ILE 22 8.955 0.526 3.652 172 HG12 ILE 22 2HG1 ILE 22 9.888 0.740 0.782 173 HG13 ILE 22 3HG1 ILE 22 10.920 0.299 2.138 174 HG21 ILE 22 1HG2 ILE 22 6.889 1.415 2.899 175 HG22 ILE 22 2HG2 ILE 22 7.547 1.768 1.301 176 HG23 ILE 22 3HG2 ILE 22 7.288 0.090 1.794 177 HD11 ILE 22 3HD1 ILE 22 8.523 -1.238 1.172 178 HD12 ILE 22 1HD1 ILE 22 10.214 -1.664 0.908 179 HD13 ILE 22 2HD1 ILE 22 9.546 -1.676 2.540 180 H LEU 23 HN LEU 23 7.459 3.876 2.834 181 HA LEU 23 HA LEU 23 7.565 4.916 5.533 182 HB2 LEU 23 2HB LEU 23 6.987 6.205 3.417 183 HB3 LEU 23 3HB LEU 23 5.455 5.362 3.432 184 HG LEU 23 HG LEU 23 4.990 6.398 5.690 185 HD11 LEU 23 1HD1 LEU 23 6.342 8.316 6.343 186 HD12 LEU 23 2HD1 LEU 23 7.316 6.847 6.310 187 HD13 LEU 23 3HD1 LEU 23 7.444 8.020 4.999 188 HD21 LEU 23 3HD2 LEU 23 4.070 7.276 3.587 189 HD22 LEU 23 1HD2 LEU 23 4.416 8.569 4.738 190 HD23 LEU 23 2HD2 LEU 23 5.503 8.283 3.379 191 H LEU 24 HN LEU 24 6.838 3.627 7.095 192 HA LEU 24 HA LEU 24 4.329 2.142 6.642 193 HB2 LEU 24 2HB LEU 24 6.442 1.822 8.768 194 HB3 LEU 24 3HB LEU 24 4.885 1.031 8.844 195 HG LEU 24 HG LEU 24 7.052 0.587 6.833 196 HD11 LEU 24 1HD1 LEU 24 6.998 -1.700 7.677 197 HD12 LEU 24 2HD1 LEU 24 7.367 -0.541 8.953 198 HD13 LEU 24 3HD1 LEU 24 5.750 -1.234 8.834 199 HD21 LEU 24 3HD2 LEU 24 4.240 -0.474 6.827 200 HD22 LEU 24 1HD2 LEU 24 4.978 0.579 5.620 201 HD23 LEU 24 2HD2 LEU 24 5.548 -1.079 5.807 202 H ALA 25 HN ALA 25 2.504 2.622 7.764 203 HA ALA 25 HA ALA 25 2.703 4.905 9.614 204 HB1 ALA 25 1HB ALA 25 0.292 4.249 7.946 205 HB2 ALA 25 2HB ALA 25 0.646 5.740 8.828 206 HB3 ALA 25 3HB ALA 25 1.584 5.317 7.394 207 H GLN 26 HN GLN 26 2.070 4.569 11.615 208 HA GLN 26 HA GLN 26 0.940 2.148 12.519 209 HB2 GLN 26 2HB GLN 26 2.317 3.551 13.967 210 HB3 GLN 26 3HB GLN 26 1.110 4.828 13.907 211 HG2 GLN 26 2HG GLN 26 -0.498 3.311 15.006 212 HG3 GLN 26 3HG GLN 26 0.783 2.107 15.147 213 HE21 GLN 26 1HE2 GLN 26 -0.408 5.174 16.263 214 HE22 GLN 26 2HE2 GLN 26 0.609 5.288 17.654 215 H ARG 27 HN ARG 27 -0.973 1.620 11.651 216 HA ARG 27 HA ARG 27 -3.341 2.614 12.781 217 HB2 ARG 27 2HB ARG 27 -3.141 4.528 11.351 218 HB3 ARG 27 3HB ARG 27 -2.733 3.529 9.965 219 HG2 ARG 27 2HG ARG 27 -4.969 4.285 9.692 220 HG3 ARG 27 3HG ARG 27 -5.027 2.564 10.070 221 HD2 ARG 27 2HD ARG 27 -5.498 3.153 12.432 222 HD3 ARG 27 3HD ARG 27 -5.558 4.852 11.960 223 HE ARG 27 HE ARG 27 -7.508 2.776 11.293 224 HH11 ARG 27 2HH1 ARG 27 -6.491 6.126 11.034 225 HH12 ARG 27 1HH1 ARG 27 -8.048 6.677 10.500 226 HH21 ARG 27 2HH2 ARG 27 -9.553 3.523 10.589 227 HH22 ARG 27 1HH2 ARG 27 -9.770 5.215 10.226 228 HA PRO 28 HA PRO 28 -4.235 -1.291 10.686 229 HB2 PRO 28 2HB PRO 28 -4.858 -2.773 12.766 230 HB3 PRO 28 3HB PRO 28 -3.177 -2.275 12.545 231 HG2 PRO 28 2HG PRO 28 -5.244 -1.208 14.404 232 HG3 PRO 28 3HG PRO 28 -3.515 -1.460 14.672 233 HD2 PRO 28 2HD PRO 28 -4.768 0.975 13.912 234 HD3 PRO 28 3HD PRO 28 -3.022 0.651 13.947 235 H ALA 29 HN ALA 29 -6.376 -2.753 11.931 236 HA ALA 29 HA ALA 29 -8.670 -1.133 12.270 237 HB1 ALA 29 1HB ALA 29 -8.386 -2.385 9.549 238 HB2 ALA 29 2HB ALA 29 -9.801 -1.526 10.157 239 HB3 ALA 29 3HB ALA 29 -8.288 -0.657 9.892 240 H GLN 30 HN GLN 30 -7.556 -4.181 10.947 241 HA GLN 30 HA GLN 30 -9.765 -5.586 12.272 242 HB2 GLN 30 2HB GLN 30 -9.043 -7.494 10.817 243 HB3 GLN 30 3HB GLN 30 -9.561 -6.071 9.916 244 HG2 GLN 30 2HG GLN 30 -7.425 -5.537 9.259 245 HG3 GLN 30 3HG GLN 30 -6.683 -6.441 10.575 246 HE21 GLN 30 1HE2 GLN 30 -5.359 -7.677 9.331 247 HE22 GLN 30 2HE2 GLN 30 -5.931 -8.878 8.227 248 H SER 31 HN SER 31 -7.124 -4.508 13.364 249 HA SER 31 HA SER 31 -5.891 -7.028 14.227 250 HB2 SER 31 2HB SER 31 -4.674 -4.280 14.437 251 HB3 SER 31 3HB SER 31 -3.855 -5.842 14.476 252 HG SER 31 HG SER 31 -4.502 -6.113 12.261 253 H ASP 32 HN ASP 32 -4.653 -6.524 16.471 254 HA ASP 32 HA ASP 32 -6.658 -5.913 18.415 255 HB2 ASP 32 2HB ASP 32 -3.717 -6.519 18.611 256 HB3 ASP 32 3HB ASP 32 -4.662 -6.056 20.024 257 H GLN 33 HN GLN 33 -4.706 -4.076 16.526 258 HA GLN 33 HA GLN 33 -4.678 -1.856 16.211 259 HB2 GLN 33 2HB GLN 33 -6.279 -1.582 18.743 260 HB3 GLN 33 3HB GLN 33 -6.093 -0.383 17.470 261 HG2 GLN 33 2HG GLN 33 -7.420 -3.061 17.141 262 HG3 GLN 33 3HG GLN 33 -8.258 -1.540 17.411 263 HE21 GLN 33 1HE2 GLN 33 -8.331 -0.004 15.772 264 HE22 GLN 33 2HE2 GLN 33 -7.973 -0.410 14.127 265 H ALA 34 HN ALA 34 -3.778 0.148 17.063 266 HA ALA 34 HA ALA 34 -2.108 1.326 18.010 267 HB1 ALA 34 1HB ALA 34 -3.490 1.071 20.019 268 HB2 ALA 34 2HB ALA 34 -2.612 -0.403 20.426 269 HB3 ALA 34 3HB ALA 34 -1.771 1.148 20.402 270 H GLY 35 HN GLY 35 -0.309 0.878 16.863 271 HA2 GLY 35 2HA GLY 35 2.020 0.382 17.427 272 HA3 GLY 35 3HA GLY 35 1.459 -1.150 18.070 273 H LEU 36 HN LEU 36 -0.384 -1.491 15.672 274 HA LEU 36 HA LEU 36 1.484 -2.803 13.998 275 HB2 LEU 36 2HB LEU 36 -1.414 -2.164 13.425 276 HB3 LEU 36 3HB LEU 36 -0.438 -3.353 12.596 277 HG LEU 36 HG LEU 36 -1.801 -4.626 13.963 278 HD11 LEU 36 1HD1 LEU 36 0.448 -5.377 14.215 279 HD12 LEU 36 2HD1 LEU 36 0.739 -4.219 15.514 280 HD13 LEU 36 3HD1 LEU 36 -0.392 -5.550 15.756 281 HD21 LEU 36 3HD2 LEU 36 -1.281 -2.885 16.360 282 HD22 LEU 36 1HD2 LEU 36 -2.663 -2.671 15.284 283 HD23 LEU 36 2HD2 LEU 36 -2.467 -4.172 16.189 284 H TRP 37 HN TRP 37 2.082 -2.341 11.864 285 HA TRP 37 HA TRP 37 1.566 0.432 10.995 286 HB2 TRP 37 2HB TRP 37 4.083 -1.132 10.350 287 HB3 TRP 37 3HB TRP 37 3.750 0.559 10.025 288 HD1 TRP 37 1HD TRP 37 4.416 -1.768 13.025 289 HE1 TRP 37 1HE TRP 37 5.450 -0.361 14.912 290 HE3 TRP 37 3HE TRP 37 4.092 2.848 10.863 291 HZ2 TRP 37 2HZ TRP 37 6.061 2.349 15.417 292 HZ3 TRP 37 3HZ TRP 37 4.929 4.795 12.110 293 HH2 TRP 37 2HH TRP 37 5.893 4.550 14.338 294 H GLU 38 HN GLU 38 1.448 0.767 8.696 295 HA GLU 38 HA GLU 38 0.909 -1.652 7.104 296 HB2 GLU 38 2HB GLU 38 -1.180 -0.706 6.324 297 HB3 GLU 38 3HB GLU 38 -1.201 -0.697 8.087 298 HG2 GLU 38 2HG GLU 38 -0.539 1.652 8.095 299 HG3 GLU 38 3HG GLU 38 -0.507 1.655 6.336 300 H PHE 39 HN PHE 39 0.630 -1.062 4.740 301 HA PHE 39 HA PHE 39 2.406 1.125 3.946 302 HB2 PHE 39 2HB PHE 39 0.938 -0.971 2.318 303 HB3 PHE 39 3HB PHE 39 1.968 0.277 1.625 304 HD1 PHE 39 2HD PHE 39 4.377 0.243 2.030 305 HD2 PHE 39 1HD PHE 39 1.823 -2.887 3.333 306 HE1 PHE 39 2HE PHE 39 6.317 -1.222 2.300 307 HE2 PHE 39 1HE PHE 39 3.754 -4.360 3.599 308 HZ PHE 39 HZ PHE 39 6.019 -3.539 3.086 309 H ALA 40 HN ALA 40 1.632 3.092 3.601 310 HA ALA 40 HA ALA 40 -1.040 3.783 3.989 311 HB1 ALA 40 1HB ALA 40 -0.431 6.009 3.217 312 HB2 ALA 40 2HB ALA 40 0.802 5.356 4.300 313 HB3 ALA 40 3HB ALA 40 1.078 5.375 2.558 314 H GLY 41 HN GLY 41 -2.650 4.537 2.580 315 HA2 GLY 41 2HA GLY 41 -2.628 4.699 -0.157 316 HA3 GLY 41 3HA GLY 41 -2.894 2.995 0.199 317 H GLY 42 HN GLY 42 -4.978 2.591 -0.102 318 HA2 GLY 42 2HA GLY 42 -6.970 3.256 1.605 319 HA3 GLY 42 3HA GLY 42 -6.980 4.595 0.467 320 H LYS 43 HN LYS 43 -8.955 4.157 -0.395 321 HA LYS 43 HA LYS 43 -9.277 1.513 -1.669 322 HB2 LYS 43 2HB LYS 43 -10.877 1.828 0.155 323 HB3 LYS 43 3HB LYS 43 -11.436 3.329 -0.570 324 HG2 LYS 43 2HG LYS 43 -12.237 2.072 -2.512 325 HG3 LYS 43 3HG LYS 43 -11.698 0.574 -1.752 326 HD2 LYS 43 2HD LYS 43 -13.248 0.897 0.072 327 HD3 LYS 43 3HD LYS 43 -13.725 2.467 -0.570 328 HE2 LYS 43 2HE LYS 43 -14.559 1.336 -2.605 329 HE3 LYS 43 3HE LYS 43 -14.159 -0.215 -1.870 330 HZ1 LYS 43 3HZ LYS 43 -16.117 1.764 -0.831 331 HZ2 LYS 43 1HZ LYS 43 -15.699 0.311 -0.057 332 HZ3 LYS 43 2HZ LYS 43 -16.486 0.275 -1.562 333 H VAL 44 HN VAL 44 -10.295 1.423 -3.697 334 HA VAL 44 HA VAL 44 -9.829 3.834 -5.291 335 HB VAL 44 HB VAL 44 -10.407 1.020 -6.235 336 HG11 VAL 44 1HG1 VAL 44 -9.360 3.427 -7.718 337 HG12 VAL 44 2HG1 VAL 44 -9.557 1.808 -8.389 338 HG13 VAL 44 3HG1 VAL 44 -10.971 2.727 -7.874 339 HG21 VAL 44 3HG2 VAL 44 -8.009 0.865 -6.726 340 HG22 VAL 44 1HG2 VAL 44 -7.761 2.436 -5.962 341 HG23 VAL 44 2HG2 VAL 44 -8.318 1.065 -5.002 342 H GLU 45 HN GLU 45 -11.545 5.093 -5.670 343 HA GLU 45 HA GLU 45 -14.235 4.058 -5.492 344 HB2 GLU 45 2HB GLU 45 -13.130 6.755 -6.299 345 HB3 GLU 45 3HB GLU 45 -14.848 6.392 -6.211 346 HG2 GLU 45 2HG GLU 45 -12.939 6.184 -3.892 347 HG3 GLU 45 3HG GLU 45 -13.967 7.578 -4.227 348 HA PRO 46 HA PRO 46 -14.643 2.855 -9.736 349 HB2 PRO 46 2HB PRO 46 -17.296 3.432 -10.134 350 HB3 PRO 46 3HB PRO 46 -16.713 1.988 -9.303 351 HG2 PRO 46 2HG PRO 46 -17.735 4.551 -8.153 352 HG3 PRO 46 3HG PRO 46 -18.033 2.885 -7.622 353 HD2 PRO 46 2HD PRO 46 -16.275 4.489 -6.364 354 HD3 PRO 46 3HD PRO 46 -16.008 2.741 -6.517 355 H ASP 47 HN ASP 47 -14.904 5.996 -8.640 356 HA ASP 47 HA ASP 47 -15.552 7.179 -11.221 357 HB2 ASP 47 2HB ASP 47 -16.635 8.123 -9.245 358 HB3 ASP 47 3HB ASP 47 -15.067 8.412 -8.501 359 H GLU 48 HN GLU 48 -12.889 6.201 -9.458 360 HA GLU 48 HA GLU 48 -11.095 8.023 -10.918 361 HB2 GLU 48 2HB GLU 48 -9.640 8.096 -8.906 362 HB3 GLU 48 3HB GLU 48 -11.217 8.830 -8.647 363 HG2 GLU 48 2HG GLU 48 -11.957 6.707 -7.591 364 HG3 GLU 48 3HG GLU 48 -10.295 6.131 -7.710 365 H SER 49 HN SER 49 -8.916 7.257 -11.166 366 HA SER 49 HA SER 49 -8.821 4.448 -11.802 367 HB2 SER 49 2HB SER 49 -6.565 6.451 -11.948 368 HB3 SER 49 3HB SER 49 -6.770 4.977 -12.894 369 HG SER 49 HG SER 49 -8.262 5.931 -14.129 370 H GLN 50 HN GLN 50 -6.837 3.157 -11.104 371 HA GLN 50 HA GLN 50 -6.829 2.988 -8.290 372 HB2 GLN 50 2HB GLN 50 -4.985 1.743 -10.327 373 HB3 GLN 50 3HB GLN 50 -4.952 1.358 -8.612 374 HG2 GLN 50 2HG GLN 50 -7.337 0.655 -8.795 375 HG3 GLN 50 3HG GLN 50 -7.211 0.880 -10.538 376 HE21 GLN 50 1HE2 GLN 50 -7.632 -1.290 -10.932 377 HE22 GLN 50 2HE2 GLN 50 -6.465 -2.528 -10.624 378 H ARG 51 HN ARG 51 -4.431 4.282 -10.574 379 HA ARG 51 HA ARG 51 -2.554 4.960 -8.539 380 HB2 ARG 51 2HB ARG 51 -2.833 6.168 -11.293 381 HB3 ARG 51 3HB ARG 51 -1.434 6.295 -10.241 382 HG2 ARG 51 2HG ARG 51 -1.315 3.757 -10.348 383 HG3 ARG 51 3HG ARG 51 -2.453 3.881 -11.689 384 HD2 ARG 51 2HD ARG 51 0.272 5.156 -11.526 385 HD3 ARG 51 3HD ARG 51 -0.177 3.777 -12.519 386 HE ARG 51 HE ARG 51 -1.811 6.039 -13.097 387 HH11 ARG 51 2HH1 ARG 51 1.349 4.639 -13.678 388 HH12 ARG 51 1HH1 ARG 51 1.630 5.544 -15.133 389 HH21 ARG 51 2HH2 ARG 51 -1.443 7.236 -15.011 390 HH22 ARG 51 1HH2 ARG 51 0.023 6.990 -15.908 391 H GLN 52 HN GLN 52 -5.304 6.565 -9.984 392 HA GLN 52 HA GLN 52 -4.714 9.190 -9.070 393 HB2 GLN 52 2HB GLN 52 -6.313 8.788 -10.887 394 HB3 GLN 52 3HB GLN 52 -7.358 7.898 -9.788 395 HG2 GLN 52 2HG GLN 52 -8.293 10.054 -10.061 396 HG3 GLN 52 3HG GLN 52 -7.587 9.994 -8.446 397 HE21 GLN 52 1HE2 GLN 52 -7.382 11.356 -11.612 398 HE22 GLN 52 2HE2 GLN 52 -6.213 12.578 -11.237 399 H ALA 53 HN ALA 53 -6.587 6.471 -7.852 400 HA ALA 53 HA ALA 53 -7.652 7.641 -5.557 401 HB1 ALA 53 1HB ALA 53 -6.775 4.774 -5.933 402 HB2 ALA 53 2HB ALA 53 -7.884 5.371 -4.697 403 HB3 ALA 53 3HB ALA 53 -8.341 5.441 -6.397 404 H LEU 54 HN LEU 54 -4.595 5.821 -5.954 405 HA LEU 54 HA LEU 54 -3.695 6.106 -3.325 406 HB2 LEU 54 2HB LEU 54 -2.294 5.711 -5.944 407 HB3 LEU 54 3HB LEU 54 -1.368 5.979 -4.481 408 HG LEU 54 HG LEU 54 -3.299 3.718 -4.971 409 HD11 LEU 54 1HD1 LEU 54 -0.294 3.814 -4.770 410 HD12 LEU 54 2HD1 LEU 54 -1.258 2.336 -4.819 411 HD13 LEU 54 3HD1 LEU 54 -1.251 3.431 -6.201 412 HD21 LEU 54 3HD2 LEU 54 -3.413 4.309 -2.664 413 HD22 LEU 54 1HD2 LEU 54 -2.393 2.878 -2.798 414 HD23 LEU 54 2HD2 LEU 54 -1.661 4.461 -2.555 415 H VAL 55 HN VAL 55 -3.182 8.156 -6.151 416 HA VAL 55 HA VAL 55 -1.380 9.949 -4.984 417 HB VAL 55 HB VAL 55 -3.329 10.305 -7.261 418 HG11 VAL 55 1HG1 VAL 55 -2.869 12.495 -6.219 419 HG12 VAL 55 2HG1 VAL 55 -1.139 12.201 -6.400 420 HG13 VAL 55 3HG1 VAL 55 -2.158 12.367 -7.830 421 HG21 VAL 55 3HG2 VAL 55 -0.333 9.936 -7.162 422 HG22 VAL 55 1HG2 VAL 55 -1.513 8.716 -7.637 423 HG23 VAL 55 2HG2 VAL 55 -1.292 10.161 -8.625 424 H ARG 56 HN ARG 56 -4.931 10.034 -5.138 425 HA ARG 56 HA ARG 56 -5.004 12.526 -3.715 426 HB2 ARG 56 2HB ARG 56 -7.430 12.322 -3.771 427 HB3 ARG 56 3HB ARG 56 -6.733 12.029 -5.354 428 HG2 ARG 56 2HG ARG 56 -8.220 10.348 -5.345 429 HG3 ARG 56 3HG ARG 56 -6.906 9.509 -4.519 430 HD2 ARG 56 2HD ARG 56 -7.898 9.983 -2.374 431 HD3 ARG 56 3HD ARG 56 -9.148 10.971 -3.130 432 HE ARG 56 HE ARG 56 -9.399 8.521 -4.316 433 HH11 ARG 56 2HH1 ARG 56 -9.463 9.715 -1.022 434 HH12 ARG 56 1HH1 ARG 56 -10.506 8.448 -0.463 435 HH21 ARG 56 2HH2 ARG 56 -10.752 6.875 -3.597 436 HH22 ARG 56 1HH2 ARG 56 -11.236 6.823 -1.925 437 H GLU 57 HN GLU 57 -5.587 9.123 -2.843 438 HA GLU 57 HA GLU 57 -6.342 9.488 -0.189 439 HB2 GLU 57 2HB GLU 57 -4.737 7.293 -1.497 440 HB3 GLU 57 3HB GLU 57 -5.202 7.231 0.195 441 HG2 GLU 57 2HG GLU 57 -7.224 7.580 -1.991 442 HG3 GLU 57 3HG GLU 57 -6.648 5.991 -1.497 443 H LEU 58 HN LEU 58 -3.068 9.256 -1.555 444 HA LEU 58 HA LEU 58 -1.779 9.546 0.969 445 HB2 LEU 58 2HB LEU 58 -0.602 10.194 -1.716 446 HB3 LEU 58 3HB LEU 58 0.271 9.847 -0.244 447 HG LEU 58 HG LEU 58 -1.345 7.904 -1.885 448 HD11 LEU 58 1HD1 LEU 58 0.795 6.765 -2.149 449 HD12 LEU 58 2HD1 LEU 58 0.847 8.408 -2.788 450 HD13 LEU 58 3HD1 LEU 58 1.588 8.046 -1.229 451 HD21 LEU 58 3HD2 LEU 58 0.047 7.458 0.750 452 HD22 LEU 58 1HD2 LEU 58 -1.695 7.431 0.469 453 HD23 LEU 58 2HD2 LEU 58 -0.665 6.204 -0.267 454 H ARG 59 HN ARG 59 -2.841 11.822 -1.514 455 HA ARG 59 HA ARG 59 -1.710 14.123 -0.406 456 HB2 ARG 59 2HB ARG 59 -2.733 14.182 -2.592 457 HB3 ARG 59 3HB ARG 59 -4.306 13.781 -1.915 458 HG2 ARG 59 2HG ARG 59 -4.418 15.900 -0.789 459 HG3 ARG 59 3HG ARG 59 -2.776 16.299 -1.296 460 HD2 ARG 59 2HD ARG 59 -3.488 16.271 -3.636 461 HD3 ARG 59 3HD ARG 59 -5.128 15.859 -3.134 462 HE ARG 59 HE ARG 59 -5.199 18.049 -2.008 463 HH11 ARG 59 2HH1 ARG 59 -2.879 17.532 -4.586 464 HH12 ARG 59 1HH1 ARG 59 -2.679 19.222 -4.920 465 HH21 ARG 59 2HH2 ARG 59 -4.943 20.276 -2.453 466 HH22 ARG 59 1HH2 ARG 59 -3.870 20.774 -3.724 467 H GLU 60 HN GLU 60 -4.653 12.376 0.415 468 HA GLU 60 HA GLU 60 -5.489 14.374 2.304 469 HB2 GLU 60 2HB GLU 60 -6.544 11.560 1.957 470 HB3 GLU 60 3HB GLU 60 -7.346 12.884 2.793 471 HG2 GLU 60 2HG GLU 60 -7.346 14.107 0.576 472 HG3 GLU 60 3HG GLU 60 -6.839 12.589 -0.153 473 H GLU 61 HN GLU 61 -4.000 11.160 2.482 474 HA GLU 61 HA GLU 61 -4.039 11.311 5.388 475 HB2 GLU 61 2HB GLU 61 -3.059 9.093 3.593 476 HB3 GLU 61 3HB GLU 61 -3.210 9.018 5.351 477 HG2 GLU 61 2HG GLU 61 -5.553 9.599 3.592 478 HG3 GLU 61 3HG GLU 61 -5.042 7.955 3.988 479 H LEU 62 HN LEU 62 -1.672 11.527 2.779 480 HA LEU 62 HA LEU 62 0.436 11.638 4.846 481 HB2 LEU 62 2HB LEU 62 0.729 10.942 1.929 482 HB3 LEU 62 3HB LEU 62 2.011 10.945 3.124 483 HG LEU 62 HG LEU 62 -0.344 9.061 3.007 484 HD11 LEU 62 1HD1 LEU 62 2.623 8.635 2.666 485 HD12 LEU 62 2HD1 LEU 62 1.387 7.378 2.633 486 HD13 LEU 62 3HD1 LEU 62 1.417 8.617 1.379 487 HD21 LEU 62 3HD2 LEU 62 0.659 7.952 4.940 488 HD22 LEU 62 1HD2 LEU 62 1.888 9.214 5.035 489 HD23 LEU 62 2HD2 LEU 62 0.193 9.608 5.329 490 H GLY 63 HN GLY 63 -1.350 13.760 3.238 491 HA2 GLY 63 2HA GLY 63 -1.075 15.796 2.238 492 HA3 GLY 63 3HA GLY 63 0.274 15.935 3.348 493 H ILE 64 HN ILE 64 0.271 13.566 0.722 494 HA ILE 64 HA ILE 64 2.157 15.304 -0.720 495 HB ILE 64 HB ILE 64 3.591 13.412 -1.305 496 HG12 ILE 64 2HG1 ILE 64 2.008 11.807 0.712 497 HG13 ILE 64 3HG1 ILE 64 1.888 11.616 -1.033 498 HG21 ILE 64 1HG2 ILE 64 4.704 13.101 0.851 499 HG22 ILE 64 2HG2 ILE 64 4.243 14.782 0.561 500 HG23 ILE 64 3HG2 ILE 64 3.290 13.784 1.659 501 HD11 ILE 64 3HD1 ILE 64 4.274 10.993 -1.101 502 HD12 ILE 64 1HD1 ILE 64 4.327 11.114 0.658 503 HD13 ILE 64 2HD1 ILE 64 3.307 9.899 -0.108 504 H GLU 65 HN GLU 65 2.018 15.286 -2.886 505 HA GLU 65 HA GLU 65 -0.028 13.592 -4.099 506 HB2 GLU 65 2HB GLU 65 1.656 15.739 -5.393 507 HB3 GLU 65 3HB GLU 65 0.250 14.954 -6.086 508 HG2 GLU 65 2HG GLU 65 -1.166 15.955 -4.395 509 HG3 GLU 65 3HG GLU 65 0.238 16.713 -3.647 510 H ALA 66 HN ALA 66 0.813 11.591 -4.284 511 HA ALA 66 HA ALA 66 3.599 11.186 -4.844 512 HB1 ALA 66 1HB ALA 66 3.073 8.814 -4.683 513 HB2 ALA 66 2HB ALA 66 2.405 9.711 -3.321 514 HB3 ALA 66 3HB ALA 66 1.353 9.193 -4.637 515 H THR 67 HN THR 67 4.386 9.861 -6.576 516 HA THR 67 HA THR 67 2.801 10.170 -9.037 517 HB THR 67 HB THR 67 5.810 9.909 -8.819 518 HG1 THR 67 1HG THR 67 4.155 12.065 -8.506 519 HG21 THR 67 3HG2 THR 67 5.796 10.644 -11.155 520 HG22 THR 67 1HG2 THR 67 4.032 10.690 -11.134 521 HG23 THR 67 2HG2 THR 67 4.875 9.153 -10.956 522 H VAL 68 HN VAL 68 1.846 8.268 -9.406 523 HA VAL 68 HA VAL 68 3.184 5.816 -8.546 524 HB VAL 68 HB VAL 68 0.372 6.100 -9.611 525 HG11 VAL 68 1HG1 VAL 68 1.693 3.932 -7.988 526 HG12 VAL 68 2HG1 VAL 68 0.007 3.957 -8.502 527 HG13 VAL 68 3HG1 VAL 68 1.293 3.843 -9.702 528 HG21 VAL 68 3HG2 VAL 68 0.565 7.480 -7.642 529 HG22 VAL 68 1HG2 VAL 68 -0.340 6.017 -7.248 530 HG23 VAL 68 2HG2 VAL 68 1.350 6.167 -6.760 531 H GLY 69 HN GLY 69 4.045 4.368 -10.000 532 HA2 GLY 69 2HA GLY 69 3.207 4.184 -12.694 533 HA3 GLY 69 3HA GLY 69 4.609 5.223 -12.589 534 H GLU 70 HN GLU 70 3.512 1.992 -11.435 535 HA GLU 70 HA GLU 70 5.264 0.362 -12.488 536 HB2 GLU 70 2HB GLU 70 7.132 0.054 -10.863 537 HB3 GLU 70 3HB GLU 70 7.222 1.530 -11.809 538 HG2 GLU 70 2HG GLU 70 6.380 2.797 -9.907 539 HG3 GLU 70 3HG GLU 70 6.296 1.313 -8.959 540 H TYR 71 HN TYR 71 5.341 -1.693 -11.547 541 HA TYR 71 HA TYR 71 3.042 -2.095 -9.750 542 HB2 TYR 71 2HB TYR 71 4.267 -3.899 -11.849 543 HB3 TYR 71 3HB TYR 71 2.895 -4.303 -10.842 544 HD1 TYR 71 2HD TYR 71 0.730 -3.224 -11.191 545 HD2 TYR 71 1HD TYR 71 4.032 -2.425 -13.744 546 HE1 TYR 71 2HE TYR 71 -0.806 -2.269 -12.862 547 HE2 TYR 71 1HE TYR 71 2.513 -1.465 -15.422 548 HH TYR 71 HH TYR 71 -0.855 -0.876 -14.758 549 H VAL 72 HN VAL 72 3.549 -2.826 -7.725 550 HA VAL 72 HA VAL 72 6.013 -4.348 -7.352 551 HB VAL 72 HB VAL 72 3.941 -3.457 -5.340 552 HG11 VAL 72 1HG1 VAL 72 5.479 -4.158 -3.628 553 HG12 VAL 72 2HG1 VAL 72 5.144 -5.530 -4.687 554 HG13 VAL 72 3HG1 VAL 72 6.666 -4.648 -4.836 555 HG21 VAL 72 3HG2 VAL 72 5.163 -1.602 -6.320 556 HG22 VAL 72 1HG2 VAL 72 5.657 -1.849 -4.643 557 HG23 VAL 72 2HG2 VAL 72 6.695 -2.398 -5.960 558 H ALA 73 HN ALA 73 2.748 -4.844 -6.011 559 HA ALA 73 HA ALA 73 2.461 -7.419 -7.277 560 HB1 ALA 73 1HB ALA 73 2.441 -8.759 -5.242 561 HB2 ALA 73 2HB ALA 73 4.015 -8.000 -5.479 562 HB3 ALA 73 3HB ALA 73 2.888 -7.342 -4.292 563 H SER 74 HN SER 74 0.453 -8.579 -6.366 564 HA SER 74 HA SER 74 -1.423 -6.710 -5.115 565 HB2 SER 74 2HB SER 74 -2.116 -8.532 -7.431 566 HB3 SER 74 3HB SER 74 -3.196 -7.394 -6.626 567 HG SER 74 HG SER 74 -0.889 -6.785 -8.163 568 H HIS 75 HN HIS 75 -2.989 -7.689 -3.804 569 HA HIS 75 HA HIS 75 -2.858 -10.598 -3.474 570 HB2 HIS 75 2HB HIS 75 -1.344 -9.772 -1.770 571 HB3 HIS 75 3HB HIS 75 -2.541 -8.606 -1.217 572 HD1 HIS 75 1HD HIS 75 -3.520 -9.337 0.922 573 HD2 HIS 75 2HD HIS 75 -2.681 -12.569 -1.545 574 HE1 HIS 75 1HE HIS 75 -4.313 -11.367 2.178 575 HE2 HIS 75 2HE HIS 75 -4.004 -13.276 0.563 576 H GLN 76 HN GLN 76 -4.822 -11.495 -3.174 577 HA GLN 76 HA GLN 76 -7.046 -9.641 -2.636 578 HB2 GLN 76 2HB GLN 76 -6.918 -12.037 -4.436 579 HB3 GLN 76 3HB GLN 76 -8.456 -11.431 -3.829 580 HG2 GLN 76 2HG GLN 76 -7.856 -9.203 -4.773 581 HG3 GLN 76 3HG GLN 76 -6.458 -9.963 -5.527 582 HE21 GLN 76 1HE2 GLN 76 -7.889 -12.443 -6.083 583 HE22 GLN 76 2HE2 GLN 76 -8.950 -12.092 -7.406 584 H ARG 77 HN ARG 77 -8.655 -10.202 -1.294 585 HA ARG 77 HA ARG 77 -8.746 -12.734 0.079 586 HB2 ARG 77 2HB ARG 77 -8.358 -11.862 2.311 587 HB3 ARG 77 3HB ARG 77 -6.951 -11.503 1.322 588 HG2 ARG 77 2HG ARG 77 -7.759 -9.209 1.018 589 HG3 ARG 77 3HG ARG 77 -9.147 -9.572 2.046 590 HD2 ARG 77 2HD ARG 77 -7.497 -10.184 3.851 591 HD3 ARG 77 3HD ARG 77 -6.238 -9.524 2.814 592 HE ARG 77 HE ARG 77 -7.480 -7.379 2.941 593 HH11 ARG 77 2HH1 ARG 77 -7.910 -9.794 5.432 594 HH12 ARG 77 1HH1 ARG 77 -8.350 -8.645 6.661 595 HH21 ARG 77 2HH2 ARG 77 -8.058 -5.851 4.552 596 HH22 ARG 77 1HH2 ARG 77 -8.463 -6.395 6.153 597 H GLU 78 HN GLU 78 -10.628 -12.424 1.873 598 HA GLU 78 HA GLU 78 -12.526 -10.529 0.663 599 HB2 GLU 78 2HB GLU 78 -14.323 -11.998 0.939 600 HB3 GLU 78 3HB GLU 78 -13.024 -13.013 0.334 601 HG2 GLU 78 2HG GLU 78 -12.621 -13.903 2.519 602 HG3 GLU 78 3HG GLU 78 -13.766 -12.767 3.235 603 H VAL 79 HN VAL 79 -14.027 -9.516 1.975 604 HA VAL 79 HA VAL 79 -13.545 -9.718 4.858 605 HB VAL 79 HB VAL 79 -12.729 -7.547 4.315 606 HG11 VAL 79 1HG1 VAL 79 -15.285 -7.103 2.786 607 HG12 VAL 79 2HG1 VAL 79 -14.069 -5.867 3.110 608 HG13 VAL 79 3HG1 VAL 79 -13.664 -7.258 2.104 609 HG21 VAL 79 3HG2 VAL 79 -14.255 -6.076 5.527 610 HG22 VAL 79 1HG2 VAL 79 -15.537 -7.275 5.361 611 HG23 VAL 79 2HG2 VAL 79 -14.102 -7.647 6.316 612 H SER 80 HN SER 80 -15.125 -11.154 5.214 613 HA SER 80 HA SER 80 -17.169 -12.122 5.342 614 HB2 SER 80 2HB SER 80 -18.002 -9.249 5.779 615 HB3 SER 80 3HB SER 80 -18.856 -10.689 6.341 616 HG SER 80 HG SER 80 -16.311 -10.849 7.133 617 H GLY 81 HN GLY 81 -16.858 -12.441 2.879 618 HA2 GLY 81 2HA GLY 81 -18.285 -12.954 1.110 619 HA3 GLY 81 3HA GLY 81 -19.430 -11.762 1.700 620 H ARG 82 HN ARG 82 -17.134 -9.747 1.797 621 HA ARG 82 HA ARG 82 -17.364 -9.001 -1.020 622 HB2 ARG 82 2HB ARG 82 -16.327 -7.426 1.345 623 HB3 ARG 82 3HB ARG 82 -16.474 -6.807 -0.293 624 HG2 ARG 82 2HG ARG 82 -18.926 -7.263 -0.154 625 HG3 ARG 82 3HG ARG 82 -18.696 -7.638 1.555 626 HD2 ARG 82 2HD ARG 82 -17.781 -5.389 1.915 627 HD3 ARG 82 3HD ARG 82 -18.034 -5.017 0.210 628 HE ARG 82 HE ARG 82 -20.247 -5.631 2.070 629 HH11 ARG 82 2HH1 ARG 82 -18.833 -3.685 -0.479 630 HH12 ARG 82 1HH1 ARG 82 -20.253 -2.704 -0.685 631 HH21 ARG 82 2HH2 ARG 82 -22.099 -4.330 1.806 632 HH22 ARG 82 1HH2 ARG 82 -22.099 -3.069 0.605 633 H ILE 83 HN ILE 83 -15.669 -9.027 -2.423 634 HA ILE 83 HA ILE 83 -13.225 -10.255 -1.400 635 HB ILE 83 HB ILE 83 -14.403 -10.005 -4.146 636 HG12 ILE 83 2HG1 ILE 83 -13.899 -12.425 -4.205 637 HG13 ILE 83 3HG1 ILE 83 -13.203 -12.311 -2.594 638 HG21 ILE 83 1HG2 ILE 83 -12.326 -10.846 -5.147 639 HG22 ILE 83 2HG2 ILE 83 -12.117 -9.240 -4.445 640 HG23 ILE 83 3HG2 ILE 83 -11.511 -10.660 -3.593 641 HD11 ILE 83 3HD1 ILE 83 -15.431 -13.239 -2.518 642 HD12 ILE 83 1HD1 ILE 83 -15.393 -11.673 -1.710 643 HD13 ILE 83 2HD1 ILE 83 -16.075 -11.814 -3.330 644 H ILE 84 HN ILE 84 -11.612 -9.031 -0.823 645 HA ILE 84 HA ILE 84 -11.412 -6.305 -1.828 646 HB ILE 84 HB ILE 84 -9.295 -7.066 0.004 647 HG12 ILE 84 2HG1 ILE 84 -12.140 -7.621 0.788 648 HG13 ILE 84 3HG1 ILE 84 -10.691 -8.573 1.117 649 HG21 ILE 84 1HG2 ILE 84 -11.532 -5.097 0.360 650 HG22 ILE 84 2HG2 ILE 84 -9.942 -5.075 1.120 651 HG23 ILE 84 3HG2 ILE 84 -10.089 -4.769 -0.615 652 HD11 ILE 84 3HD1 ILE 84 -11.428 -5.926 2.358 653 HD12 ILE 84 1HD1 ILE 84 -11.459 -7.519 3.139 654 HD13 ILE 84 2HD1 ILE 84 -9.919 -6.811 2.656 655 H HIS 85 HN HIS 85 -9.956 -5.636 -3.199 656 HA HIS 85 HA HIS 85 -7.858 -7.511 -4.076 657 HB2 HIS 85 2HB HIS 85 -9.565 -7.109 -5.800 658 HB3 HIS 85 3HB HIS 85 -9.321 -5.374 -5.652 659 HD1 HIS 85 1HD HIS 85 -8.287 -4.676 -7.792 660 HD2 HIS 85 2HD HIS 85 -6.589 -8.177 -6.304 661 HE1 HIS 85 1HE HIS 85 -6.400 -5.242 -9.354 662 HE2 HIS 85 2HE HIS 85 -5.607 -7.512 -8.604 663 H LEU 86 HN LEU 86 -6.071 -6.845 -2.976 664 HA LEU 86 HA LEU 86 -5.576 -3.980 -2.707 665 HB2 LEU 86 2HB LEU 86 -4.388 -6.412 -1.415 666 HB3 LEU 86 3HB LEU 86 -3.536 -4.884 -1.368 667 HG LEU 86 HG LEU 86 -5.804 -3.989 -0.398 668 HD11 LEU 86 1HD1 LEU 86 -6.944 -5.640 0.987 669 HD12 LEU 86 2HD1 LEU 86 -7.061 -6.042 -0.727 670 HD13 LEU 86 3HD1 LEU 86 -5.929 -6.913 0.306 671 HD21 LEU 86 3HD2 LEU 86 -3.682 -3.932 0.762 672 HD22 LEU 86 1HD2 LEU 86 -4.961 -4.465 1.857 673 HD23 LEU 86 2HD2 LEU 86 -3.837 -5.643 1.175 674 H HIS 87 HN HIS 87 -4.393 -2.970 -4.143 675 HA HIS 87 HA HIS 87 -2.415 -4.546 -5.658 676 HB2 HIS 87 2HB HIS 87 -4.391 -3.372 -6.874 677 HB3 HIS 87 3HB HIS 87 -3.492 -1.887 -6.583 678 HD1 HIS 87 1HD HIS 87 -4.047 -3.046 -9.445 679 HD2 HIS 87 2HD HIS 87 -0.540 -3.567 -7.274 680 HE1 HIS 87 1HE HIS 87 -2.274 -3.590 -11.141 681 HE2 HIS 87 2HE HIS 87 -0.236 -4.161 -9.767 682 H ALA 88 HN ALA 88 -0.435 -4.225 -5.000 683 HA ALA 88 HA ALA 88 0.285 -1.800 -3.558 684 HB1 ALA 88 1HB ALA 88 1.907 -4.282 -4.118 685 HB2 ALA 88 2HB ALA 88 2.390 -2.948 -3.069 686 HB3 ALA 88 3HB ALA 88 0.998 -3.944 -2.644 687 H TRP 89 HN TRP 89 0.869 -0.119 -4.667 688 HA TRP 89 HA TRP 89 2.477 -0.434 -7.102 689 HB2 TRP 89 2HB TRP 89 0.935 1.969 -6.087 690 HB3 TRP 89 3HB TRP 89 1.863 1.912 -7.578 691 HD1 TRP 89 1HD TRP 89 -1.329 0.370 -6.025 692 HE1 TRP 89 1HE TRP 89 -2.941 -0.220 -7.944 693 HE3 TRP 89 3HE TRP 89 1.706 1.440 -10.002 694 HZ2 TRP 89 2HZ TRP 89 -2.931 -0.230 -10.753 695 HZ3 TRP 89 3HZ TRP 89 0.819 1.114 -12.273 696 HH2 TRP 89 2HH TRP 89 -1.451 0.296 -12.637 697 H HIS 90 HN HIS 90 4.401 0.769 -7.305 698 HA HIS 90 HA HIS 90 5.529 1.705 -4.754 699 HB2 HIS 90 2HB HIS 90 6.764 -0.082 -5.950 700 HB3 HIS 90 3HB HIS 90 6.900 0.959 -7.354 701 HD1 HIS 90 1HD HIS 90 9.215 1.693 -7.560 702 HD2 HIS 90 2HD HIS 90 8.013 1.568 -3.585 703 HE1 HIS 90 1HE HIS 90 11.212 2.425 -6.230 704 HE2 HIS 90 2HE HIS 90 10.558 2.010 -3.841 705 H VAL 91 HN VAL 91 6.076 3.856 -4.524 706 HA VAL 91 HA VAL 91 5.361 5.563 -6.794 707 HB VAL 91 HB VAL 91 5.332 7.435 -5.124 708 HG11 VAL 91 1HG1 VAL 91 3.483 5.108 -4.613 709 HG12 VAL 91 2HG1 VAL 91 3.174 6.784 -4.157 710 HG13 VAL 91 3HG1 VAL 91 3.290 6.339 -5.859 711 HG21 VAL 91 3HG2 VAL 91 6.758 6.448 -3.408 712 HG22 VAL 91 1HG2 VAL 91 5.177 6.870 -2.750 713 HG23 VAL 91 2HG2 VAL 91 5.557 5.190 -3.123 714 HA PRO 92 HA PRO 92 9.824 5.958 -7.376 715 HB2 PRO 92 2HB PRO 92 9.507 7.384 -9.715 716 HB3 PRO 92 3HB PRO 92 9.553 5.622 -9.614 717 HG2 PRO 92 2HG PRO 92 7.190 7.448 -9.780 718 HG3 PRO 92 3HG PRO 92 7.457 5.891 -10.594 719 HD2 PRO 92 2HD PRO 92 5.889 6.095 -8.433 720 HD3 PRO 92 3HD PRO 92 6.918 4.675 -8.699 721 H ASP 93 HN ASP 93 7.350 8.416 -7.139 722 HA ASP 93 HA ASP 93 9.239 10.231 -5.941 723 HB2 ASP 93 2HB ASP 93 9.473 10.595 -8.443 724 HB3 ASP 93 3HB ASP 93 7.817 11.186 -8.433 725 H PHE 94 HN PHE 94 8.066 12.403 -5.501 726 HA PHE 94 HA PHE 94 5.227 12.241 -5.156 727 HB2 PHE 94 2HB PHE 94 5.400 12.741 -2.635 728 HB3 PHE 94 3HB PHE 94 5.565 11.071 -3.159 729 HD1 PHE 94 1HD PHE 94 7.903 13.983 -2.786 730 HD2 PHE 94 2HD PHE 94 7.054 9.907 -1.923 731 HE1 PHE 94 1HE PHE 94 10.033 13.806 -1.570 732 HE2 PHE 94 2HE PHE 94 9.189 9.718 -0.706 733 HZ PHE 94 HZ PHE 94 10.681 11.671 -0.529 734 H HIS 95 HN HIS 95 4.368 14.258 -4.106 735 HA HIS 95 HA HIS 95 6.208 16.524 -4.497 736 HB2 HIS 95 2HB HIS 95 4.608 16.315 -6.388 737 HB3 HIS 95 3HB HIS 95 3.277 16.403 -5.248 738 HD1 HIS 95 1HD HIS 95 5.452 18.476 -7.313 739 HD2 HIS 95 2HD HIS 95 3.058 19.008 -3.954 740 HE1 HIS 95 1HE HIS 95 5.067 20.951 -7.138 741 HE2 HIS 95 2HE HIS 95 3.430 21.220 -5.246 742 H GLY 96 HN GLY 96 6.480 17.572 -2.647 743 HA2 GLY 96 2HA GLY 96 5.417 18.946 -0.916 744 HA3 GLY 96 3HA GLY 96 4.211 17.677 -0.754 745 H THR 97 HN THR 97 4.733 17.654 1.527 746 HA THR 97 HA THR 97 7.135 16.031 2.043 747 HB THR 97 HB THR 97 5.993 18.157 3.876 748 HG1 THR 97 1HG THR 97 7.853 18.205 1.881 749 HG21 THR 97 3HG2 THR 97 7.947 17.692 5.284 750 HG22 THR 97 1HG2 THR 97 8.435 16.400 4.186 751 HG23 THR 97 2HG2 THR 97 6.941 16.255 5.110 752 H LEU 98 HN LEU 98 6.817 14.235 3.219 753 HA LEU 98 HA LEU 98 4.080 13.384 3.325 754 HB2 LEU 98 2HB LEU 98 5.341 11.239 4.280 755 HB3 LEU 98 3HB LEU 98 5.218 11.610 2.571 756 HG LEU 98 HG LEU 98 7.503 12.888 3.093 757 HD11 LEU 98 1HD1 LEU 98 7.535 12.337 5.455 758 HD12 LEU 98 2HD1 LEU 98 7.453 10.618 5.073 759 HD13 LEU 98 3HD1 LEU 98 8.875 11.556 4.617 760 HD21 LEU 98 3HD2 LEU 98 7.282 9.921 2.625 761 HD22 LEU 98 1HD2 LEU 98 7.075 11.170 1.395 762 HD23 LEU 98 2HD2 LEU 98 8.640 10.959 2.186 763 H GLN 99 HN GLN 99 2.797 13.581 4.909 764 HA GLN 99 HA GLN 99 3.844 13.629 7.658 765 HB2 GLN 99 2HB GLN 99 2.208 15.340 8.221 766 HB3 GLN 99 3HB GLN 99 3.205 15.901 6.883 767 HG2 GLN 99 2HG GLN 99 1.383 15.198 5.333 768 HG3 GLN 99 3HG GLN 99 0.385 14.867 6.747 769 HE21 GLN 99 1HE2 GLN 99 2.680 17.494 6.550 770 HE22 GLN 99 2HE2 GLN 99 1.511 18.773 6.542 771 H ALA 100 HN ALA 100 2.013 13.117 9.244 772 HA ALA 100 HA ALA 100 0.480 10.903 8.063 773 HB1 ALA 100 1HB ALA 100 1.311 11.182 10.942 774 HB2 ALA 100 2HB ALA 100 0.648 9.754 10.141 775 HB3 ALA 100 3HB ALA 100 2.260 10.335 9.721 776 H HIS 101 HN HIS 101 -1.634 11.268 7.863 777 HA HIS 101 HA HIS 101 -2.903 13.330 9.470 778 HB2 HIS 101 2HB HIS 101 -3.244 13.344 7.053 779 HB3 HIS 101 3HB HIS 101 -3.867 11.704 7.109 780 HD1 HIS 101 1HD HIS 101 -6.304 11.678 6.794 781 HD2 HIS 101 2HD HIS 101 -5.054 15.057 8.888 782 HE1 HIS 101 1HE HIS 101 -8.389 13.019 7.243 783 HE2 HIS 101 2HE HIS 101 -7.563 15.167 8.273 784 H GLU 102 HN GLU 102 -4.388 10.339 8.297 785 HA GLU 102 HA GLU 102 -5.511 9.936 10.965 786 HB2 GLU 102 2HB GLU 102 -6.249 8.993 8.216 787 HB3 GLU 102 3HB GLU 102 -6.929 8.221 9.657 788 HG2 GLU 102 2HG GLU 102 -7.612 10.575 10.380 789 HG3 GLU 102 3HG GLU 102 -7.261 11.051 8.720 790 H HIS 103 HN HIS 103 -2.803 9.067 9.628 791 HA HIS 103 HA HIS 103 -2.814 6.395 10.874 792 HB2 HIS 103 2HB HIS 103 -0.937 7.293 8.665 793 HB3 HIS 103 3HB HIS 103 -1.125 5.668 9.309 794 HD1 HIS 103 1HD HIS 103 -2.768 4.157 8.083 795 HD2 HIS 103 2HD HIS 103 -3.245 8.187 7.138 796 HE1 HIS 103 1HE HIS 103 -4.477 4.236 6.249 797 HE2 HIS 103 2HE HIS 103 -4.959 6.688 5.925 798 H GLN 104 HN GLN 104 -1.716 6.563 12.799 799 HA GLN 104 HA GLN 104 -1.158 9.203 13.520 800 HB2 GLN 104 2HB GLN 104 -2.049 7.442 15.032 801 HB3 GLN 104 3HB GLN 104 -0.434 6.749 15.108 802 HG2 GLN 104 2HG GLN 104 -0.876 8.127 17.053 803 HG3 GLN 104 3HG GLN 104 0.419 8.816 16.078 804 HE21 GLN 104 1HE2 GLN 104 0.036 10.716 14.914 805 HE22 GLN 104 2HE2 GLN 104 -1.305 11.753 15.274 806 H ALA 105 HN ALA 105 1.144 6.633 12.747 807 HA ALA 105 HA ALA 105 3.263 8.638 13.063 808 HB1 ALA 105 1HB ALA 105 3.426 5.812 14.111 809 HB2 ALA 105 2HB ALA 105 4.732 6.998 14.120 810 HB3 ALA 105 3HB ALA 105 3.283 7.274 15.087 811 H LEU 106 HN LEU 106 5.208 8.166 11.838 812 HA LEU 106 HA LEU 106 4.860 6.167 9.721 813 HB2 LEU 106 2HB LEU 106 5.537 9.085 9.381 814 HB3 LEU 106 3HB LEU 106 5.927 7.887 8.162 815 HG LEU 106 HG LEU 106 3.133 8.378 9.140 816 HD11 LEU 106 1HD1 LEU 106 3.927 10.413 8.132 817 HD12 LEU 106 2HD1 LEU 106 4.509 9.515 6.729 818 HD13 LEU 106 3HD1 LEU 106 2.779 9.611 7.060 819 HD21 LEU 106 3HD2 LEU 106 2.519 7.232 7.063 820 HD22 LEU 106 1HD2 LEU 106 4.228 6.904 6.774 821 HD23 LEU 106 2HD2 LEU 106 3.420 6.210 8.181 822 H VAL 107 HN VAL 107 6.635 4.964 9.450 823 HA VAL 107 HA VAL 107 9.182 6.023 10.486 824 HB VAL 107 HB VAL 107 8.316 4.320 12.039 825 HG11 VAL 107 1HG1 VAL 107 8.114 1.982 11.356 826 HG12 VAL 107 2HG1 VAL 107 6.971 3.011 10.494 827 HG13 VAL 107 3HG1 VAL 107 8.431 2.442 9.683 828 HG21 VAL 107 3HG2 VAL 107 10.281 2.831 12.056 829 HG22 VAL 107 1HG2 VAL 107 10.712 3.417 10.448 830 HG23 VAL 107 2HG2 VAL 107 10.711 4.525 11.821 831 H TRP 108 HN TRP 108 10.983 5.650 9.222 832 HA TRP 108 HA TRP 108 10.453 4.554 6.568 833 HB2 TRP 108 2HB TRP 108 12.802 6.172 7.583 834 HB3 TRP 108 3HB TRP 108 12.544 5.672 5.916 835 HD1 TRP 108 1HD TRP 108 10.888 7.101 4.455 836 HE1 TRP 108 1HE TRP 108 9.689 9.349 4.836 837 HE3 TRP 108 3HE TRP 108 11.685 7.608 9.482 838 HZ2 TRP 108 2HZ TRP 108 9.149 11.096 6.980 839 HZ3 TRP 108 3HZ TRP 108 10.792 9.597 10.621 840 HH2 TRP 108 2HH TRP 108 9.551 11.306 9.394 841 H CYS 109 HN CYS 109 10.862 2.471 6.410 842 HA CYS 109 HA CYS 109 13.391 1.450 7.508 843 HB2 CYS 109 2HB CYS 109 12.157 -0.704 8.028 844 HB3 CYS 109 3HB CYS 109 11.776 0.660 9.074 845 HG CYS 109 HG CYS 109 9.674 0.667 6.560 846 H SER 110 HN SER 110 14.285 -0.331 6.305 847 HA SER 110 HA SER 110 13.737 -0.042 3.491 848 HB2 SER 110 2HB SER 110 15.617 -1.776 3.335 849 HB3 SER 110 3HB SER 110 16.044 -0.234 4.079 850 HG SER 110 HG SER 110 16.829 -1.912 5.350 851 HA PRO 111 HA PRO 111 11.001 -3.365 2.592 852 HB2 PRO 111 2HB PRO 111 12.694 -5.144 1.174 853 HB3 PRO 111 3HB PRO 111 11.613 -3.927 0.493 854 HG2 PRO 111 2HG PRO 111 14.536 -3.794 0.997 855 HG3 PRO 111 3HG PRO 111 13.569 -2.995 -0.255 856 HD2 PRO 111 2HD PRO 111 14.543 -1.640 1.840 857 HD3 PRO 111 3HD PRO 111 12.944 -1.265 1.160 858 H GLU 112 HN GLU 112 14.221 -4.571 3.489 859 HA GLU 112 HA GLU 112 13.290 -7.060 4.468 860 HB2 GLU 112 2HB GLU 112 15.578 -7.175 5.524 861 HB3 GLU 112 3HB GLU 112 15.563 -6.915 3.787 862 HG2 GLU 112 2HG GLU 112 15.870 -4.480 4.224 863 HG3 GLU 112 3HG GLU 112 16.083 -4.873 5.928 864 H GLU 113 HN GLU 113 14.012 -3.963 6.038 865 HA GLU 113 HA GLU 113 13.562 -4.889 8.686 866 HB2 GLU 113 2HB GLU 113 13.378 -2.071 7.606 867 HB3 GLU 113 3HB GLU 113 13.512 -2.520 9.300 868 HG2 GLU 113 2HG GLU 113 15.590 -3.049 7.191 869 HG3 GLU 113 3HG GLU 113 15.626 -1.727 8.354 870 H ALA 114 HN ALA 114 11.523 -3.445 6.220 871 HA ALA 114 HA ALA 114 9.316 -2.718 7.772 872 HB1 ALA 114 1HB ALA 114 9.314 -3.667 4.911 873 HB2 ALA 114 2HB ALA 114 8.059 -2.711 5.700 874 HB3 ALA 114 3HB ALA 114 9.661 -2.021 5.442 875 H LEU 115 HN LEU 115 10.087 -5.811 6.235 876 HA LEU 115 HA LEU 115 7.542 -6.955 6.778 877 HB2 LEU 115 2HB LEU 115 9.633 -7.577 5.142 878 HB3 LEU 115 3HB LEU 115 9.825 -8.779 6.402 879 HG LEU 115 HG LEU 115 8.446 -9.389 4.302 880 HD11 LEU 115 1HD1 LEU 115 8.561 -10.823 6.244 881 HD12 LEU 115 2HD1 LEU 115 7.320 -9.865 7.051 882 HD13 LEU 115 3HD1 LEU 115 6.918 -10.783 5.598 883 HD21 LEU 115 3HD2 LEU 115 6.304 -7.927 5.835 884 HD22 LEU 115 1HD2 LEU 115 7.068 -7.315 4.369 885 HD23 LEU 115 2HD2 LEU 115 6.123 -8.806 4.320 886 H GLN 116 HN GLN 116 10.336 -6.417 8.686 887 HA GLN 116 HA GLN 116 9.797 -8.515 10.577 888 HB2 GLN 116 2HB GLN 116 11.579 -6.096 10.844 889 HB3 GLN 116 3HB GLN 116 11.588 -7.518 11.879 890 HG2 GLN 116 2HG GLN 116 12.399 -7.332 8.991 891 HG3 GLN 116 3HG GLN 116 13.417 -7.679 10.383 892 HE21 GLN 116 1HE2 GLN 116 12.908 -9.180 7.906 893 HE22 GLN 116 2HE2 GLN 116 12.392 -10.751 8.411 894 H TYR 117 HN TYR 117 8.457 -5.521 9.900 895 HA TYR 117 HA TYR 117 7.788 -4.857 12.648 896 HB2 TYR 117 2HB TYR 117 7.442 -3.510 9.998 897 HB3 TYR 117 3HB TYR 117 6.361 -3.060 11.314 898 HD1 TYR 117 1HD TYR 117 9.838 -3.037 10.143 899 HD2 TYR 117 2HD TYR 117 7.167 -1.821 13.210 900 HE1 TYR 117 1HE TYR 117 11.556 -1.510 11.023 901 HE2 TYR 117 2HE TYR 117 8.869 -0.291 14.101 902 HH TYR 117 HH TYR 117 11.415 -0.161 14.062 903 HA PRO 118 HA PRO 118 3.799 -6.760 12.625 904 HB2 PRO 118 2HB PRO 118 2.212 -4.968 13.883 905 HB3 PRO 118 3HB PRO 118 3.452 -5.899 14.731 906 HG2 PRO 118 2HG PRO 118 3.538 -3.080 13.738 907 HG3 PRO 118 3HG PRO 118 4.125 -3.745 15.273 908 HD2 PRO 118 2HD PRO 118 5.756 -3.206 13.157 909 HD3 PRO 118 3HD PRO 118 6.095 -4.493 14.331 910 H LEU 119 HN LEU 119 3.931 -6.337 10.195 911 HA LEU 119 HA LEU 119 2.117 -4.359 9.139 912 HB2 LEU 119 2HB LEU 119 3.582 -6.680 7.885 913 HB3 LEU 119 3HB LEU 119 2.513 -5.627 6.982 914 HG LEU 119 HG LEU 119 5.061 -4.773 8.379 915 HD11 LEU 119 1HD1 LEU 119 5.917 -4.450 6.129 916 HD12 LEU 119 2HD1 LEU 119 5.438 -6.131 6.374 917 HD13 LEU 119 3HD1 LEU 119 4.400 -5.044 5.449 918 HD21 LEU 119 3HD2 LEU 119 3.352 -3.023 8.377 919 HD22 LEU 119 1HD2 LEU 119 4.681 -2.631 7.285 920 HD23 LEU 119 2HD2 LEU 119 3.150 -3.221 6.638 921 H ALA 120 HN ALA 120 0.116 -4.815 8.084 922 HA ALA 120 HA ALA 120 -1.483 -6.840 9.252 923 HB1 ALA 120 1HB ALA 120 -1.967 -5.245 6.732 924 HB2 ALA 120 2HB ALA 120 -3.180 -6.170 7.617 925 HB3 ALA 120 3HB ALA 120 -2.425 -4.761 8.364 926 HA PRO 121 HA PRO 121 -0.511 -10.452 6.922 927 HB2 PRO 121 2HB PRO 121 -3.027 -11.530 6.557 928 HB3 PRO 121 3HB PRO 121 -2.056 -11.697 8.024 929 HG2 PRO 121 2HG PRO 121 -4.288 -9.802 7.429 930 HG3 PRO 121 3HG PRO 121 -3.926 -10.673 8.931 931 HD2 PRO 121 2HD PRO 121 -3.341 -8.071 8.631 932 HD3 PRO 121 3HD PRO 121 -2.287 -9.158 9.558 933 H ALA 122 HN ALA 122 -2.577 -8.047 5.600 934 HA ALA 122 HA ALA 122 -2.699 -9.289 2.972 935 HB1 ALA 122 1HB ALA 122 -3.598 -6.564 3.911 936 HB2 ALA 122 2HB ALA 122 -3.867 -7.226 2.295 937 HB3 ALA 122 3HB ALA 122 -4.613 -7.989 3.702 938 H ASP 123 HN ASP 123 -0.748 -7.111 4.761 939 HA ASP 123 HA ASP 123 0.418 -5.776 2.475 940 HB2 ASP 123 2HB ASP 123 1.043 -5.627 5.434 941 HB3 ASP 123 3HB ASP 123 1.812 -4.630 4.205 942 H ILE 124 HN ILE 124 1.057 -8.504 4.441 943 HA ILE 124 HA ILE 124 3.863 -8.563 4.355 944 HB ILE 124 HB ILE 124 1.932 -10.872 4.600 945 HG12 ILE 124 2HG1 ILE 124 1.690 -9.169 6.367 946 HG13 ILE 124 3HG1 ILE 124 2.319 -10.683 7.003 947 HG21 ILE 124 1HG2 ILE 124 4.878 -10.737 5.234 948 HG22 ILE 124 2HG2 ILE 124 3.815 -12.098 5.590 949 HG23 ILE 124 3HG2 ILE 124 4.139 -11.645 3.916 950 HD11 ILE 124 3HD1 ILE 124 3.445 -8.777 7.990 951 HD12 ILE 124 1HD1 ILE 124 4.567 -9.740 7.027 952 HD13 ILE 124 2HD1 ILE 124 3.935 -8.221 6.391 953 HA PRO 125 HA PRO 125 3.412 -11.582 0.509 954 HB2 PRO 125 2HB PRO 125 1.057 -11.127 -0.913 955 HB3 PRO 125 3HB PRO 125 1.369 -12.506 0.148 956 HG2 PRO 125 2HG PRO 125 -0.123 -9.987 0.700 957 HG3 PRO 125 3HG PRO 125 -0.464 -11.640 1.241 958 HD2 PRO 125 2HD PRO 125 0.621 -9.814 2.880 959 HD3 PRO 125 3HD PRO 125 1.075 -11.528 2.963 960 H LEU 126 HN LEU 126 2.122 -8.339 0.652 961 HA LEU 126 HA LEU 126 2.752 -7.654 -2.056 962 HB2 LEU 126 2HB LEU 126 2.248 -5.862 0.327 963 HB3 LEU 126 3HB LEU 126 2.269 -5.356 -1.351 964 HG LEU 126 HG LEU 126 0.268 -7.256 -0.123 965 HD11 LEU 126 1HD1 LEU 126 -0.014 -4.378 -0.980 966 HD12 LEU 126 2HD1 LEU 126 -1.327 -5.426 -0.443 967 HD13 LEU 126 3HD1 LEU 126 -0.036 -4.986 0.675 968 HD21 LEU 126 3HD2 LEU 126 0.670 -7.755 -2.467 969 HD22 LEU 126 1HD2 LEU 126 -0.921 -7.023 -2.255 970 HD23 LEU 126 2HD2 LEU 126 0.414 -6.063 -2.889 971 H LEU 127 HN LEU 127 4.336 -7.302 1.088 972 HA LEU 127 HA LEU 127 6.494 -5.745 0.012 973 HB2 LEU 127 2HB LEU 127 5.675 -5.627 2.387 974 HB3 LEU 127 3HB LEU 127 6.379 -7.206 2.652 975 HG LEU 127 HG LEU 127 7.728 -5.230 3.472 976 HD11 LEU 127 1HD1 LEU 127 9.877 -6.122 2.721 977 HD12 LEU 127 2HD1 LEU 127 8.760 -7.401 3.204 978 HD13 LEU 127 3HD1 LEU 127 9.044 -7.076 1.493 979 HD21 LEU 127 3HD2 LEU 127 7.336 -3.731 1.613 980 HD22 LEU 127 1HD2 LEU 127 9.064 -4.028 1.809 981 HD23 LEU 127 2HD2 LEU 127 8.171 -4.837 0.521 982 H GLU 128 HN GLU 128 5.949 -9.150 0.849 983 HA GLU 128 HA GLU 128 8.487 -10.174 0.530 984 HB2 GLU 128 2HB GLU 128 5.908 -11.408 -0.445 985 HB3 GLU 128 3HB GLU 128 7.422 -12.267 -0.207 986 HG2 GLU 128 2HG GLU 128 7.292 -11.570 2.213 987 HG3 GLU 128 3HG GLU 128 5.648 -11.032 1.873 988 H ALA 129 HN ALA 129 6.128 -9.349 -1.976 989 HA ALA 129 HA ALA 129 7.887 -10.267 -4.069 990 HB1 ALA 129 1HB ALA 129 5.356 -8.682 -4.391 991 HB2 ALA 129 2HB ALA 129 6.196 -9.657 -5.601 992 HB3 ALA 129 3HB ALA 129 5.413 -10.440 -4.229 993 H PHE 130 HN PHE 130 7.371 -7.320 -2.354 994 HA PHE 130 HA PHE 130 8.312 -5.550 -4.380 995 HB2 PHE 130 2HB PHE 130 7.034 -4.674 -2.495 996 HB3 PHE 130 3HB PHE 130 8.240 -5.275 -1.361 997 HD1 PHE 130 1HD PHE 130 7.741 -2.900 -4.161 998 HD2 PHE 130 2HD PHE 130 10.066 -3.954 -0.757 999 HE1 PHE 130 1HE PHE 130 8.955 -0.772 -4.337 1000 HE2 PHE 130 2HE PHE 130 11.282 -1.824 -0.924 1001 HZ PHE 130 HZ PHE 130 10.730 -0.231 -2.718 1002 H MET 131 HN MET 131 9.743 -7.103 -1.553 1003 HA MET 131 HA MET 131 12.384 -6.230 -2.134 1004 HB2 MET 131 2HB MET 131 13.093 -7.770 -0.393 1005 HB3 MET 131 3HB MET 131 11.656 -6.903 0.136 1006 HG2 MET 131 2HG MET 131 10.293 -8.864 -0.436 1007 HG3 MET 131 3HG MET 131 11.758 -9.731 -0.893 1008 HE1 MET 131 3HE MET 131 13.777 -8.577 1.359 1009 HE2 MET 131 1HE MET 131 13.663 -9.874 2.549 1010 HE3 MET 131 2HE MET 131 13.735 -10.258 0.829 1011 H ALA 132 HN ALA 132 10.461 -9.088 -2.998 1012 HA ALA 132 HA ALA 132 12.449 -10.608 -4.206 1013 HB1 ALA 132 1HB ALA 132 9.528 -10.338 -4.965 1014 HB2 ALA 132 2HB ALA 132 10.613 -11.644 -5.458 1015 HB3 ALA 132 3HB ALA 132 10.196 -11.442 -3.758 1016 H LEU 133 HN LEU 133 10.446 -7.982 -5.499 1017 HA LEU 133 HA LEU 133 11.279 -8.294 -8.188 1018 HB2 LEU 133 2HB LEU 133 9.568 -6.540 -6.689 1019 HB3 LEU 133 3HB LEU 133 10.574 -5.603 -7.779 1020 HG LEU 133 HG LEU 133 9.776 -6.952 -9.676 1021 HD11 LEU 133 1HD1 LEU 133 7.986 -8.255 -7.634 1022 HD12 LEU 133 2HD1 LEU 133 7.892 -8.473 -9.382 1023 HD13 LEU 133 3HD1 LEU 133 9.314 -9.030 -8.499 1024 HD21 LEU 133 3HD2 LEU 133 7.498 -6.063 -9.727 1025 HD22 LEU 133 1HD2 LEU 133 7.581 -5.758 -7.991 1026 HD23 LEU 133 2HD2 LEU 133 8.639 -4.878 -9.092 1027 H ARG 134 HN ARG 134 12.540 -6.488 -5.468 1028 HA ARG 134 HA ARG 134 14.369 -4.992 -7.128 1029 HB2 ARG 134 2HB ARG 134 14.152 -5.200 -4.126 1030 HB3 ARG 134 3HB ARG 134 15.228 -4.106 -4.983 1031 HG2 ARG 134 2HG ARG 134 13.166 -3.133 -6.072 1032 HG3 ARG 134 3HG ARG 134 12.226 -4.065 -4.902 1033 HD2 ARG 134 2HD ARG 134 12.569 -1.801 -4.095 1034 HD3 ARG 134 3HD ARG 134 13.430 -2.951 -3.073 1035 HE ARG 134 HE ARG 134 14.893 -1.613 -5.237 1036 HH11 ARG 134 2HH1 ARG 134 14.249 -1.948 -1.814 1037 HH12 ARG 134 1HH1 ARG 134 15.748 -1.227 -1.316 1038 HH21 ARG 134 2HH2 ARG 134 16.874 -0.651 -4.595 1039 HH22 ARG 134 1HH2 ARG 134 17.248 -0.503 -2.905 1040 H ALA 135 HN ALA 135 14.400 -7.981 -5.403 1041 HA ALA 135 HA ALA 135 17.313 -8.090 -5.329 1042 HB1 ALA 135 1HB ALA 135 17.021 -10.206 -4.161 1043 HB2 ALA 135 2HB ALA 135 16.052 -8.939 -3.410 1044 HB3 ALA 135 3HB ALA 135 15.282 -10.138 -4.449 1045 H ALA 136 HN ALA 136 14.605 -9.498 -7.050 1046 HA ALA 136 HA ALA 136 16.374 -11.284 -8.541 1047 HB1 ALA 136 1HB ALA 136 14.280 -12.204 -7.693 1048 HB2 ALA 136 2HB ALA 136 13.371 -11.012 -8.623 1049 HB3 ALA 136 3HB ALA 136 14.322 -12.242 -9.456 1050 H ARG 137 HN ARG 137 14.783 -8.279 -8.852 1051 HA ARG 137 HA ARG 137 14.225 -6.888 -10.535 1052 HB2 ARG 137 2HB ARG 137 16.108 -6.292 -12.044 1053 HB3 ARG 137 3HB ARG 137 16.508 -6.288 -10.336 1054 HG2 ARG 137 2HG ARG 137 17.681 -8.381 -10.564 1055 HG3 ARG 137 3HG ARG 137 17.182 -8.508 -12.252 1056 HD2 ARG 137 2HD ARG 137 19.515 -7.687 -11.942 1057 HD3 ARG 137 3HD ARG 137 18.478 -6.589 -12.852 1058 HE ARG 137 HE ARG 137 18.207 -5.537 -10.461 1059 HH11 ARG 137 2HH1 ARG 137 21.122 -6.806 -11.933 1060 HH12 ARG 137 1HH1 ARG 137 22.174 -5.694 -11.106 1061 HH21 ARG 137 2HH2 ARG 137 19.554 -4.095 -9.361 1062 HH22 ARG 137 1HH2 ARG 137 21.280 -4.153 -9.603 1063 HA PRO 138 HA PRO 138 12.164 -9.620 -13.387 1064 HB2 PRO 138 2HB PRO 138 10.657 -7.611 -14.519 1065 HB3 PRO 138 3HB PRO 138 10.235 -8.457 -13.025 1066 HG2 PRO 138 2HG PRO 138 11.632 -5.836 -13.386 1067 HG3 PRO 138 3HG PRO 138 10.321 -6.252 -12.264 1068 HD2 PRO 138 2HD PRO 138 12.835 -6.123 -11.405 1069 HD3 PRO 138 3HD PRO 138 11.764 -7.422 -10.838 1070 H ALA 139 HN ALA 139 12.830 -10.274 -15.286 1071 HA ALA 139 HA ALA 139 14.687 -8.702 -16.817 1072 HB1 ALA 139 1HB ALA 139 13.584 -11.463 -17.313 1073 HB2 ALA 139 2HB ALA 139 14.912 -10.713 -18.201 1074 HB3 ALA 139 3HB ALA 139 15.092 -11.077 -16.485 1075 H ASP 140 HN ASP 140 13.939 -7.184 -18.129 1076 HA ASP 140 HA ASP 140 11.635 -7.828 -19.841 1077 HB2 ASP 140 2HB ASP 140 10.927 -6.197 -18.171 1078 HB3 ASP 140 3HB ASP 140 12.290 -5.159 -18.575 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -29.923 -16.608 -1.587 2 H2 GLY 1 2H GLY 1 -31.601 -16.507 -1.812 3 H3 GLY 1 3H GLY 1 -30.973 -16.832 -0.272 4 HA2 GLY 1 3HA GLY 1 -31.684 -14.554 -0.370 5 HA3 GLY 1 2HA GLY 1 -29.932 -14.638 -0.229 6 HA PRO 2 HA PRO 2 -31.378 -12.838 -4.450 7 HB2 PRO 2 2HB PRO 2 -32.834 -10.624 -4.063 8 HB3 PRO 2 3HB PRO 2 -33.575 -12.230 -4.049 9 HG2 PRO 2 2HG PRO 2 -32.816 -10.473 -1.754 10 HG3 PRO 2 3HG PRO 2 -34.261 -11.478 -1.965 11 HD2 PRO 2 2HD PRO 2 -32.047 -12.199 -0.481 12 HD3 PRO 2 3HD PRO 2 -33.211 -13.344 -1.175 13 H LEU 3 HN LEU 3 -30.016 -11.505 -1.643 14 HA LEU 3 HA LEU 3 -28.509 -9.551 -3.256 15 HB2 LEU 3 2HB LEU 3 -30.039 -8.540 -1.558 16 HB3 LEU 3 3HB LEU 3 -29.147 -9.383 -0.306 17 HG LEU 3 HG LEU 3 -27.128 -8.100 -0.869 18 HD11 LEU 3 1HD1 LEU 3 -28.911 -6.708 -2.860 19 HD12 LEU 3 2HD1 LEU 3 -27.287 -6.192 -2.405 20 HD13 LEU 3 3HD1 LEU 3 -27.524 -7.733 -3.228 21 HD21 LEU 3 3HD2 LEU 3 -28.640 -7.258 0.846 22 HD22 LEU 3 1HD2 LEU 3 -27.894 -5.930 -0.041 23 HD23 LEU 3 2HD2 LEU 3 -29.563 -6.387 -0.379 24 H GLY 4 HN GLY 4 -28.096 -12.438 -2.611 25 HA2 GLY 4 2HA GLY 4 -25.874 -12.500 -0.758 26 HA3 GLY 4 3HA GLY 4 -26.518 -13.858 -1.671 27 H SER 5 HN SER 5 -25.254 -10.724 -2.728 28 HA SER 5 HA SER 5 -23.372 -12.150 -4.481 29 HB2 SER 5 2HB SER 5 -24.258 -9.260 -4.669 30 HB3 SER 5 3HB SER 5 -23.374 -10.188 -5.880 31 HG SER 5 HG SER 5 -25.673 -11.445 -5.235 32 H MET 6 HN MET 6 -21.333 -12.196 -3.763 33 HA MET 6 HA MET 6 -20.423 -10.472 -1.684 34 HB2 MET 6 2HB MET 6 -18.251 -11.533 -1.964 35 HB3 MET 6 3HB MET 6 -19.523 -12.741 -1.929 36 HG2 MET 6 2HG MET 6 -18.249 -11.703 -4.446 37 HG3 MET 6 3HG MET 6 -17.737 -13.156 -3.595 38 HE1 MET 6 3HE MET 6 -19.482 -14.589 -6.782 39 HE2 MET 6 1HE MET 6 -18.514 -13.120 -6.663 40 HE3 MET 6 2HE MET 6 -18.014 -14.575 -5.802 41 H LYS 7 HN LYS 7 -19.490 -8.535 -1.818 42 HA LYS 7 HA LYS 7 -19.227 -7.325 -4.435 43 HB2 LYS 7 2HB LYS 7 -18.784 -6.140 -1.685 44 HB3 LYS 7 3HB LYS 7 -18.814 -5.240 -3.194 45 HG2 LYS 7 2HG LYS 7 -21.166 -5.968 -3.516 46 HG3 LYS 7 3HG LYS 7 -21.105 -6.706 -1.914 47 HD2 LYS 7 2HD LYS 7 -22.117 -4.531 -1.730 48 HD3 LYS 7 3HD LYS 7 -20.527 -4.486 -0.967 49 HE2 LYS 7 2HE LYS 7 -20.858 -2.487 -2.290 50 HE3 LYS 7 3HE LYS 7 -19.602 -3.485 -3.023 51 HZ1 LYS 7 3HZ LYS 7 -21.093 -2.646 -4.706 52 HZ2 LYS 7 1HZ LYS 7 -22.435 -3.293 -3.898 53 HZ3 LYS 7 2HZ LYS 7 -21.281 -4.328 -4.584 54 H MET 8 HN MET 8 -17.343 -6.471 -5.289 55 HA MET 8 HA MET 8 -14.881 -7.514 -4.087 56 HB2 MET 8 2HB MET 8 -15.526 -6.637 -6.896 57 HB3 MET 8 3HB MET 8 -13.875 -6.892 -6.349 58 HG2 MET 8 2HG MET 8 -14.451 -9.214 -5.769 59 HG3 MET 8 3HG MET 8 -16.071 -8.952 -6.407 60 HE1 MET 8 3HE MET 8 -12.598 -7.656 -7.760 61 HE2 MET 8 1HE MET 8 -12.264 -9.299 -7.218 62 HE3 MET 8 2HE MET 8 -12.212 -8.910 -8.937 63 H ILE 9 HN ILE 9 -13.441 -6.233 -3.233 64 HA ILE 9 HA ILE 9 -13.923 -3.330 -3.332 65 HB ILE 9 HB ILE 9 -12.545 -4.995 -1.229 66 HG12 ILE 9 2HG1 ILE 9 -15.248 -3.652 -1.203 67 HG13 ILE 9 3HG1 ILE 9 -14.941 -5.386 -1.222 68 HG21 ILE 9 1HG2 ILE 9 -11.716 -2.631 -1.518 69 HG22 ILE 9 2HG2 ILE 9 -13.304 -2.102 -0.954 70 HG23 ILE 9 3HG2 ILE 9 -12.267 -3.089 0.099 71 HD11 ILE 9 3HD1 ILE 9 -14.321 -3.458 1.001 72 HD12 ILE 9 1HD1 ILE 9 -15.540 -4.732 0.992 73 HD13 ILE 9 2HD1 ILE 9 -13.825 -5.152 0.983 74 H GLU 10 HN GLU 10 -12.460 -2.298 -4.561 75 HA GLU 10 HA GLU 10 -9.853 -3.552 -4.991 76 HB2 GLU 10 2HB GLU 10 -11.162 -1.190 -6.355 77 HB3 GLU 10 3HB GLU 10 -9.530 -1.749 -6.693 78 HG2 GLU 10 2HG GLU 10 -10.557 -3.980 -7.279 79 HG3 GLU 10 3HG GLU 10 -12.119 -3.160 -7.233 80 H VAL 11 HN VAL 11 -8.148 -2.898 -3.840 81 HA VAL 11 HA VAL 11 -8.259 -0.207 -2.662 82 HB VAL 11 HB VAL 11 -7.186 -2.722 -1.353 83 HG11 VAL 11 1HG1 VAL 11 -7.163 0.125 -0.354 84 HG12 VAL 11 2HG1 VAL 11 -6.695 -1.294 0.583 85 HG13 VAL 11 3HG1 VAL 11 -5.756 -0.824 -0.835 86 HG21 VAL 11 3HG2 VAL 11 -8.901 -2.302 0.345 87 HG22 VAL 11 1HG2 VAL 11 -9.490 -0.929 -0.590 88 HG23 VAL 11 2HG2 VAL 11 -9.613 -2.562 -1.244 89 H VAL 12 HN VAL 12 -6.456 0.981 -2.916 90 HA VAL 12 HA VAL 12 -4.185 -0.357 -4.215 91 HB VAL 12 HB VAL 12 -3.564 2.050 -4.907 92 HG11 VAL 12 1HG1 VAL 12 -5.971 0.669 -6.089 93 HG12 VAL 12 2HG1 VAL 12 -5.013 1.910 -6.897 94 HG13 VAL 12 3HG1 VAL 12 -4.282 0.357 -6.489 95 HG21 VAL 12 3HG2 VAL 12 -5.467 3.579 -5.158 96 HG22 VAL 12 1HG2 VAL 12 -6.501 2.430 -4.307 97 HG23 VAL 12 2HG2 VAL 12 -5.162 3.208 -3.460 98 H ALA 13 HN ALA 13 -2.224 -0.250 -3.325 99 HA ALA 13 HA ALA 13 -1.926 1.297 -0.839 100 HB1 ALA 13 1HB ALA 13 -0.655 -1.366 -1.519 101 HB2 ALA 13 2HB ALA 13 -0.458 -0.468 -0.013 102 HB3 ALA 13 3HB ALA 13 -2.033 -1.144 -0.438 103 H ALA 14 HN ALA 14 -0.169 2.594 -0.722 104 HA ALA 14 HA ALA 14 1.474 2.694 -3.151 105 HB1 ALA 14 1HB ALA 14 0.280 4.744 -2.667 106 HB2 ALA 14 2HB ALA 14 0.989 4.801 -1.052 107 HB3 ALA 14 3HB ALA 14 2.015 4.991 -2.474 108 H ILE 15 HN ILE 15 3.423 1.880 -3.042 109 HA ILE 15 HA ILE 15 4.732 1.672 -0.438 110 HB ILE 15 HB ILE 15 5.474 0.448 -3.104 111 HG12 ILE 15 2HG1 ILE 15 4.076 -0.569 -0.650 112 HG13 ILE 15 3HG1 ILE 15 3.636 -0.773 -2.342 113 HG21 ILE 15 1HG2 ILE 15 6.736 -0.027 -0.415 114 HG22 ILE 15 2HG2 ILE 15 7.227 -0.725 -1.956 115 HG23 ILE 15 3HG2 ILE 15 7.426 1.005 -1.669 116 HD11 ILE 15 3HD1 ILE 15 5.956 -2.095 -0.951 117 HD12 ILE 15 1HD1 ILE 15 4.401 -2.857 -1.341 118 HD13 ILE 15 2HD1 ILE 15 5.474 -2.336 -2.643 119 H ILE 16 HN ILE 16 5.604 3.599 0.003 120 HA ILE 16 HA ILE 16 6.782 5.195 -2.110 121 HB ILE 16 HB ILE 16 6.566 5.817 0.845 122 HG12 ILE 16 2HG1 ILE 16 4.641 6.472 -1.399 123 HG13 ILE 16 3HG1 ILE 16 4.352 5.319 -0.102 124 HG21 ILE 16 1HG2 ILE 16 6.698 8.165 0.078 125 HG22 ILE 16 2HG2 ILE 16 8.150 7.236 -0.317 126 HG23 ILE 16 3HG2 ILE 16 6.957 7.585 -1.569 127 HD11 ILE 16 3HD1 ILE 16 3.198 7.431 0.265 128 HD12 ILE 16 1HD1 ILE 16 4.394 7.113 1.523 129 HD13 ILE 16 2HD1 ILE 16 4.745 8.277 0.244 130 H GLU 17 HN GLU 17 8.774 4.499 -2.678 131 HA GLU 17 HA GLU 17 10.562 3.615 -0.519 132 HB2 GLU 17 2HB GLU 17 10.072 1.930 -2.331 133 HB3 GLU 17 3HB GLU 17 10.873 3.009 -3.468 134 HG2 GLU 17 2HG GLU 17 12.853 2.884 -1.792 135 HG3 GLU 17 3HG GLU 17 12.039 1.436 -1.213 136 H ARG 18 HN ARG 18 11.865 5.163 0.076 137 HA ARG 18 HA ARG 18 13.057 6.841 -2.023 138 HB2 ARG 18 2HB ARG 18 11.516 8.096 -0.556 139 HB3 ARG 18 3HB ARG 18 12.473 7.614 0.839 140 HG2 ARG 18 2HG ARG 18 12.946 9.903 0.068 141 HG3 ARG 18 3HG ARG 18 14.361 8.859 0.053 142 HD2 ARG 18 2HD ARG 18 13.084 8.662 -2.480 143 HD3 ARG 18 3HD ARG 18 13.253 10.374 -2.080 144 HE ARG 18 HE ARG 18 15.668 9.103 -1.470 145 HH11 ARG 18 2HH1 ARG 18 13.776 9.932 -4.316 146 HH12 ARG 18 1HH1 ARG 18 15.166 10.011 -5.362 147 HH21 ARG 18 2HH2 ARG 18 17.461 9.169 -2.830 148 HH22 ARG 18 1HH2 ARG 18 17.264 9.563 -4.517 149 H ASP 19 HN ASP 19 15.040 6.311 -2.334 150 HA ASP 19 HA ASP 19 17.177 5.603 -2.092 151 HB2 ASP 19 2HB ASP 19 16.802 6.488 0.777 152 HB3 ASP 19 3HB ASP 19 18.349 6.110 0.017 153 H GLY 20 HN GLY 20 14.998 3.659 -1.680 154 HA2 GLY 20 2HA GLY 20 15.225 1.356 -1.445 155 HA3 GLY 20 3HA GLY 20 16.691 1.615 -0.515 156 H LYS 21 HN LYS 21 14.220 3.600 0.602 157 HA LYS 21 HA LYS 21 13.495 1.611 2.652 158 HB2 LYS 21 2HB LYS 21 13.671 4.584 3.119 159 HB3 LYS 21 3HB LYS 21 13.478 3.321 4.320 160 HG2 LYS 21 2HG LYS 21 15.847 2.698 2.984 161 HG3 LYS 21 3HG LYS 21 15.878 4.446 3.210 162 HD2 LYS 21 2HD LYS 21 15.554 4.230 5.562 163 HD3 LYS 21 3HD LYS 21 15.265 2.495 5.420 164 HE2 LYS 21 2HE LYS 21 17.486 2.819 6.238 165 HE3 LYS 21 3HE LYS 21 17.590 2.245 4.577 166 HZ1 LYS 21 3HZ LYS 21 18.149 4.386 3.812 167 HZ2 LYS 21 1HZ LYS 21 19.111 4.131 5.183 168 HZ3 LYS 21 2HZ LYS 21 17.735 5.124 5.283 169 H ILE 22 HN ILE 22 11.366 1.525 3.294 170 HA ILE 22 HA ILE 22 9.486 2.851 1.458 171 HB ILE 22 HB ILE 22 8.910 0.481 3.245 172 HG12 ILE 22 2HG1 ILE 22 9.754 0.407 0.344 173 HG13 ILE 22 3HG1 ILE 22 10.798 -0.014 1.699 174 HG21 ILE 22 1HG2 ILE 22 7.164 0.057 1.440 175 HG22 ILE 22 2HG2 ILE 22 6.891 1.452 2.498 176 HG23 ILE 22 3HG2 ILE 22 7.520 1.690 0.868 177 HD11 ILE 22 3HD1 ILE 22 9.919 -2.005 0.686 178 HD12 ILE 22 1HD1 ILE 22 9.237 -1.814 2.302 179 HD13 ILE 22 2HD1 ILE 22 8.267 -1.416 0.881 180 H LEU 23 HN LEU 23 7.633 3.865 2.272 181 HA LEU 23 HA LEU 23 7.928 4.873 4.977 182 HB2 LEU 23 2HB LEU 23 7.507 6.410 3.082 183 HB3 LEU 23 3HB LEU 23 5.950 5.644 2.833 184 HG LEU 23 HG LEU 23 5.227 6.389 5.060 185 HD11 LEU 23 1HD1 LEU 23 7.399 6.446 6.158 186 HD12 LEU 23 2HD1 LEU 23 7.887 7.805 5.146 187 HD13 LEU 23 3HD1 LEU 23 6.576 7.997 6.309 188 HD21 LEU 23 3HD2 LEU 23 6.266 8.521 3.203 189 HD22 LEU 23 1HD2 LEU 23 4.663 7.786 3.212 190 HD23 LEU 23 2HD2 LEU 23 5.159 8.824 4.541 191 H LEU 24 HN LEU 24 6.907 4.089 6.602 192 HA LEU 24 HA LEU 24 4.465 2.477 6.192 193 HB2 LEU 24 2HB LEU 24 6.582 2.285 8.335 194 HB3 LEU 24 3HB LEU 24 5.030 1.487 8.456 195 HG LEU 24 HG LEU 24 5.623 0.282 6.300 196 HD11 LEU 24 1HD1 LEU 24 7.398 1.744 5.538 197 HD12 LEU 24 2HD1 LEU 24 8.362 1.330 6.955 198 HD13 LEU 24 3HD1 LEU 24 7.986 0.094 5.754 199 HD21 LEU 24 3HD2 LEU 24 7.332 -0.206 8.730 200 HD22 LEU 24 1HD2 LEU 24 5.689 -0.796 8.480 201 HD23 LEU 24 2HD2 LEU 24 6.999 -1.371 7.449 202 H ALA 25 HN ALA 25 2.644 3.004 7.277 203 HA ALA 25 HA ALA 25 2.825 5.271 9.156 204 HB1 ALA 25 1HB ALA 25 0.499 4.613 7.353 205 HB2 ALA 25 2HB ALA 25 0.660 6.018 8.409 206 HB3 ALA 25 3HB ALA 25 1.722 5.838 7.012 207 H GLN 26 HN GLN 26 2.432 4.694 11.152 208 HA GLN 26 HA GLN 26 1.400 2.135 11.832 209 HB2 GLN 26 2HB GLN 26 3.121 3.292 13.150 210 HB3 GLN 26 3HB GLN 26 1.953 4.530 13.588 211 HG2 GLN 26 2HG GLN 26 0.639 2.910 14.802 212 HG3 GLN 26 3HG GLN 26 1.722 1.614 14.294 213 HE21 GLN 26 1HE2 GLN 26 3.757 1.449 15.214 214 HE22 GLN 26 2HE2 GLN 26 4.188 2.293 16.660 215 H ARG 27 HN ARG 27 -0.629 1.566 11.817 216 HA ARG 27 HA ARG 27 -2.533 2.703 13.527 217 HB2 ARG 27 2HB ARG 27 -2.820 4.438 11.830 218 HB3 ARG 27 3HB ARG 27 -3.052 3.215 10.586 219 HG2 ARG 27 2HG ARG 27 -5.195 4.065 11.158 220 HG3 ARG 27 3HG ARG 27 -5.075 2.440 11.832 221 HD2 ARG 27 2HD ARG 27 -5.941 3.529 13.639 222 HD3 ARG 27 3HD ARG 27 -4.224 3.781 13.955 223 HE ARG 27 HE ARG 27 -5.493 5.856 12.390 224 HH11 ARG 27 2HH1 ARG 27 -4.642 4.768 15.622 225 HH12 ARG 27 1HH1 ARG 27 -4.788 6.351 16.319 226 HH21 ARG 27 2HH2 ARG 27 -5.734 7.933 13.345 227 HH22 ARG 27 1HH2 ARG 27 -5.401 8.131 15.040 228 HA PRO 28 HA PRO 28 -3.534 -1.615 12.620 229 HB2 PRO 28 2HB PRO 28 -4.695 -2.118 14.990 230 HB3 PRO 28 3HB PRO 28 -2.946 -2.036 14.805 231 HG2 PRO 28 2HG PRO 28 -4.824 0.041 15.838 232 HG3 PRO 28 3HG PRO 28 -3.254 -0.467 16.488 233 HD2 PRO 28 2HD PRO 28 -3.586 1.760 14.955 234 HD3 PRO 28 3HD PRO 28 -2.080 0.821 14.989 235 H ALA 29 HN ALA 29 -5.542 0.898 13.907 236 HA ALA 29 HA ALA 29 -7.608 1.673 13.390 237 HB1 ALA 29 1HB ALA 29 -8.782 0.877 11.405 238 HB2 ALA 29 2HB ALA 29 -7.083 1.206 11.060 239 HB3 ALA 29 3HB ALA 29 -7.639 -0.457 11.259 240 H GLN 30 HN GLN 30 -7.938 -1.848 12.864 241 HA GLN 30 HA GLN 30 -10.376 -1.772 14.466 242 HB2 GLN 30 2HB GLN 30 -9.175 -3.991 12.800 243 HB3 GLN 30 3HB GLN 30 -10.719 -4.081 13.640 244 HG2 GLN 30 2HG GLN 30 -11.495 -2.141 12.295 245 HG3 GLN 30 3HG GLN 30 -9.991 -2.231 11.381 246 HE21 GLN 30 1HE2 GLN 30 -11.036 -2.642 9.460 247 HE22 GLN 30 2HE2 GLN 30 -11.821 -4.154 9.125 248 H SER 31 HN SER 31 -7.291 -1.989 15.271 249 HA SER 31 HA SER 31 -7.844 -3.849 17.480 250 HB2 SER 31 2HB SER 31 -5.150 -3.389 16.167 251 HB3 SER 31 3HB SER 31 -5.493 -4.510 17.485 252 HG SER 31 HG SER 31 -7.018 -5.519 15.955 253 H ASP 32 HN ASP 32 -7.514 -3.043 19.487 254 HA ASP 32 HA ASP 32 -6.777 -0.239 19.692 255 HB2 ASP 32 2HB ASP 32 -7.930 -2.232 21.623 256 HB3 ASP 32 3HB ASP 32 -7.302 -0.689 22.188 257 H GLN 33 HN GLN 33 -4.995 -2.839 19.409 258 HA GLN 33 HA GLN 33 -3.233 -2.600 21.656 259 HB2 GLN 33 2HB GLN 33 -2.589 -3.986 19.069 260 HB3 GLN 33 3HB GLN 33 -1.984 -4.354 20.679 261 HG2 GLN 33 2HG GLN 33 -4.301 -5.026 21.308 262 HG3 GLN 33 3HG GLN 33 -4.752 -4.830 19.616 263 HE21 GLN 33 1HE2 GLN 33 -5.279 -7.003 19.406 264 HE22 GLN 33 2HE2 GLN 33 -4.074 -8.235 19.330 265 H ALA 34 HN ALA 34 -3.521 -1.205 18.562 266 HA ALA 34 HA ALA 34 -2.282 0.207 17.321 267 HB1 ALA 34 1HB ALA 34 -0.948 1.878 18.482 268 HB2 ALA 34 2HB ALA 34 -2.471 1.604 19.329 269 HB3 ALA 34 3HB ALA 34 -0.977 0.899 19.948 270 H GLY 35 HN GLY 35 0.330 0.998 17.269 271 HA2 GLY 35 2HA GLY 35 2.553 0.322 17.278 272 HA3 GLY 35 3HA GLY 35 2.061 -1.259 17.833 273 H LEU 36 HN LEU 36 0.106 -1.551 15.615 274 HA LEU 36 HA LEU 36 1.883 -2.717 13.756 275 HB2 LEU 36 2HB LEU 36 -1.091 -2.358 13.906 276 HB3 LEU 36 3HB LEU 36 -0.343 -3.044 12.481 277 HG LEU 36 HG LEU 36 0.399 -4.967 13.674 278 HD11 LEU 36 1HD1 LEU 36 0.136 -5.278 16.064 279 HD12 LEU 36 2HD1 LEU 36 1.129 -3.855 15.750 280 HD13 LEU 36 3HD1 LEU 36 -0.560 -3.665 16.221 281 HD21 LEU 36 3HD2 LEU 36 -1.705 -5.843 14.573 282 HD22 LEU 36 1HD2 LEU 36 -2.367 -4.207 14.569 283 HD23 LEU 36 2HD2 LEU 36 -1.935 -4.989 13.045 284 H TRP 37 HN TRP 37 2.226 -2.243 11.606 285 HA TRP 37 HA TRP 37 1.705 0.560 10.855 286 HB2 TRP 37 2HB TRP 37 3.968 -1.237 9.938 287 HB3 TRP 37 3HB TRP 37 3.760 0.463 9.538 288 HD1 TRP 37 1HD TRP 37 4.682 -1.811 12.504 289 HE1 TRP 37 1HE TRP 37 5.998 -0.416 14.216 290 HE3 TRP 37 3HE TRP 37 4.217 2.795 10.330 291 HZ2 TRP 37 2HZ TRP 37 6.746 2.279 14.594 292 HZ3 TRP 37 3HZ TRP 37 5.265 4.729 11.430 293 HH2 TRP 37 2HH TRP 37 6.503 4.475 13.516 294 H GLU 38 HN GLU 38 1.090 0.992 8.714 295 HA GLU 38 HA GLU 38 0.738 -1.286 6.907 296 HB2 GLU 38 2HB GLU 38 -1.474 -0.349 6.202 297 HB3 GLU 38 3HB GLU 38 -1.462 -0.985 7.840 298 HG2 GLU 38 2HG GLU 38 -1.454 1.172 8.787 299 HG3 GLU 38 3HG GLU 38 -1.067 1.931 7.245 300 H PHE 39 HN PHE 39 0.924 -0.760 4.699 301 HA PHE 39 HA PHE 39 2.173 1.766 4.093 302 HB2 PHE 39 2HB PHE 39 1.235 -0.485 2.291 303 HB3 PHE 39 3HB PHE 39 2.092 0.936 1.723 304 HD1 PHE 39 2HD PHE 39 3.450 0.248 4.826 305 HD2 PHE 39 1HD PHE 39 3.345 -1.237 0.848 306 HE1 PHE 39 2HE PHE 39 5.578 -0.913 5.201 307 HE2 PHE 39 1HE PHE 39 5.450 -2.392 1.219 308 HZ PHE 39 HZ PHE 39 6.593 -2.244 3.396 309 H ALA 40 HN ALA 40 1.229 3.558 3.297 310 HA ALA 40 HA ALA 40 -1.538 3.858 3.784 311 HB1 ALA 40 1HB ALA 40 -1.243 6.153 3.118 312 HB2 ALA 40 2HB ALA 40 0.115 5.646 4.123 313 HB3 ALA 40 3HB ALA 40 0.309 5.766 2.374 314 H GLY 41 HN GLY 41 -3.128 4.714 2.277 315 HA2 GLY 41 2HA GLY 41 -3.073 4.733 -0.446 316 HA3 GLY 41 3HA GLY 41 -3.287 3.034 -0.035 317 H GLY 42 HN GLY 42 -5.364 2.756 -0.683 318 HA2 GLY 42 2HA GLY 42 -7.470 3.333 1.001 319 HA3 GLY 42 3HA GLY 42 -7.431 4.665 -0.146 320 H LYS 43 HN LYS 43 -9.675 3.293 -0.145 321 HA LYS 43 HA LYS 43 -9.623 1.104 -2.011 322 HB2 LYS 43 2HB LYS 43 -11.363 1.327 -0.217 323 HB3 LYS 43 3HB LYS 43 -12.023 2.705 -1.087 324 HG2 LYS 43 2HG LYS 43 -12.402 1.215 -3.041 325 HG3 LYS 43 3HG LYS 43 -11.878 -0.145 -2.051 326 HD2 LYS 43 2HD LYS 43 -14.245 -0.134 -2.005 327 HD3 LYS 43 3HD LYS 43 -13.708 0.470 -0.436 328 HE2 LYS 43 2HE LYS 43 -15.547 1.810 -1.248 329 HE3 LYS 43 3HE LYS 43 -14.071 2.772 -1.222 330 HZ1 LYS 43 3HZ LYS 43 -15.304 1.509 -3.616 331 HZ2 LYS 43 1HZ LYS 43 -13.853 2.380 -3.617 332 HZ3 LYS 43 2HZ LYS 43 -15.307 3.164 -3.245 333 H VAL 44 HN VAL 44 -10.548 1.113 -4.100 334 HA VAL 44 HA VAL 44 -10.276 3.693 -5.476 335 HB VAL 44 HB VAL 44 -10.443 0.902 -6.644 336 HG11 VAL 44 1HG1 VAL 44 -11.215 2.586 -8.202 337 HG12 VAL 44 2HG1 VAL 44 -9.762 3.546 -7.926 338 HG13 VAL 44 3HG1 VAL 44 -9.643 1.970 -8.711 339 HG21 VAL 44 3HG2 VAL 44 -8.037 1.146 -7.083 340 HG22 VAL 44 1HG2 VAL 44 -8.043 2.669 -6.193 341 HG23 VAL 44 2HG2 VAL 44 -8.405 1.158 -5.358 342 H GLU 45 HN GLU 45 -12.052 4.697 -6.239 343 HA GLU 45 HA GLU 45 -14.604 3.269 -6.156 344 HB2 GLU 45 2HB GLU 45 -13.991 5.796 -5.433 345 HB3 GLU 45 3HB GLU 45 -14.441 6.081 -7.109 346 HG2 GLU 45 2HG GLU 45 -16.317 6.407 -5.574 347 HG3 GLU 45 3HG GLU 45 -16.617 5.106 -6.729 348 HA PRO 46 HA PRO 46 -14.428 2.292 -10.475 349 HB2 PRO 46 2HB PRO 46 -17.093 2.241 -11.081 350 HB3 PRO 46 3HB PRO 46 -16.263 0.957 -10.196 351 HG2 PRO 46 2HG PRO 46 -17.914 3.219 -9.142 352 HG3 PRO 46 3HG PRO 46 -17.917 1.512 -8.659 353 HD2 PRO 46 2HD PRO 46 -16.643 3.387 -7.213 354 HD3 PRO 46 3HD PRO 46 -15.999 1.740 -7.380 355 H ASP 47 HN ASP 47 -14.887 5.281 -9.478 356 HA ASP 47 HA ASP 47 -15.626 6.341 -12.114 357 HB2 ASP 47 2HB ASP 47 -17.067 7.230 -10.424 358 HB3 ASP 47 3HB ASP 47 -15.707 7.582 -9.364 359 H GLU 48 HN GLU 48 -13.037 5.770 -10.085 360 HA GLU 48 HA GLU 48 -11.431 7.902 -11.342 361 HB2 GLU 48 2HB GLU 48 -10.073 8.001 -9.317 362 HB3 GLU 48 3HB GLU 48 -11.762 8.322 -8.946 363 HG2 GLU 48 2HG GLU 48 -11.970 5.929 -8.257 364 HG3 GLU 48 3HG GLU 48 -10.220 5.797 -8.439 365 H SER 49 HN SER 49 -9.035 7.371 -11.259 366 HA SER 49 HA SER 49 -8.644 4.661 -12.242 367 HB2 SER 49 2HB SER 49 -7.703 6.713 -13.421 368 HB3 SER 49 3HB SER 49 -6.574 6.864 -12.075 369 HG SER 49 HG SER 49 -6.825 4.714 -13.917 370 H GLN 50 HN GLN 50 -6.807 3.378 -11.442 371 HA GLN 50 HA GLN 50 -7.022 3.100 -8.636 372 HB2 GLN 50 2HB GLN 50 -5.091 1.810 -10.572 373 HB3 GLN 50 3HB GLN 50 -5.339 1.306 -8.904 374 HG2 GLN 50 2HG GLN 50 -7.638 0.733 -9.379 375 HG3 GLN 50 3HG GLN 50 -7.470 1.325 -11.029 376 HE21 GLN 50 1HE2 GLN 50 -8.241 -1.311 -10.104 377 HE22 GLN 50 2HE2 GLN 50 -7.086 -2.411 -10.777 378 H ARG 51 HN ARG 51 -4.390 4.299 -10.716 379 HA ARG 51 HA ARG 51 -2.662 4.868 -8.508 380 HB2 ARG 51 2HB ARG 51 -2.612 6.008 -11.305 381 HB3 ARG 51 3HB ARG 51 -1.331 6.164 -10.115 382 HG2 ARG 51 2HG ARG 51 -1.221 3.639 -10.081 383 HG3 ARG 51 3HG ARG 51 -2.248 3.676 -11.515 384 HD2 ARG 51 2HD ARG 51 0.350 5.176 -11.327 385 HD3 ARG 51 3HD ARG 51 0.248 3.521 -11.915 386 HE ARG 51 HE ARG 51 -1.501 5.397 -13.251 387 HH11 ARG 51 2HH1 ARG 51 1.681 3.923 -13.214 388 HH12 ARG 51 1HH1 ARG 51 1.948 4.164 -14.916 389 HH21 ARG 51 2HH2 ARG 51 -1.144 5.719 -15.474 390 HH22 ARG 51 1HH2 ARG 51 0.344 5.173 -16.194 391 H GLN 52 HN GLN 52 -5.267 6.531 -10.060 392 HA GLN 52 HA GLN 52 -4.619 9.167 -9.192 393 HB2 GLN 52 2HB GLN 52 -6.137 8.827 -11.060 394 HB3 GLN 52 3HB GLN 52 -7.238 7.910 -10.045 395 HG2 GLN 52 2HG GLN 52 -8.131 10.098 -10.397 396 HG3 GLN 52 3HG GLN 52 -7.651 9.937 -8.710 397 HE21 GLN 52 1HE2 GLN 52 -5.919 11.128 -7.936 398 HE22 GLN 52 2HE2 GLN 52 -5.251 12.462 -8.812 399 H ALA 53 HN ALA 53 -6.539 6.503 -7.961 400 HA ALA 53 HA ALA 53 -7.658 7.767 -5.730 401 HB1 ALA 53 1HB ALA 53 -8.404 5.597 -6.570 402 HB2 ALA 53 2HB ALA 53 -6.879 4.871 -6.053 403 HB3 ALA 53 3HB ALA 53 -7.999 5.517 -4.854 404 H LEU 54 HN LEU 54 -4.570 6.041 -6.125 405 HA LEU 54 HA LEU 54 -3.698 6.285 -3.458 406 HB2 LEU 54 2HB LEU 54 -2.255 5.962 -6.073 407 HB3 LEU 54 3HB LEU 54 -1.369 6.169 -4.573 408 HG LEU 54 HG LEU 54 -3.311 3.936 -5.166 409 HD11 LEU 54 1HD1 LEU 54 -1.253 3.733 -6.449 410 HD12 LEU 54 2HD1 LEU 54 -0.301 3.947 -4.978 411 HD13 LEU 54 3HD1 LEU 54 -1.317 2.518 -5.170 412 HD21 LEU 54 3HD2 LEU 54 -3.326 4.493 -2.821 413 HD22 LEU 54 1HD2 LEU 54 -2.433 2.992 -3.057 414 HD23 LEU 54 2HD2 LEU 54 -1.564 4.501 -2.777 415 H VAL 55 HN VAL 55 -3.239 8.336 -6.279 416 HA VAL 55 HA VAL 55 -1.449 10.167 -5.142 417 HB VAL 55 HB VAL 55 -3.373 10.379 -7.458 418 HG11 VAL 55 1HG1 VAL 55 -3.112 12.632 -6.513 419 HG12 VAL 55 2HG1 VAL 55 -1.359 12.458 -6.577 420 HG13 VAL 55 3HG1 VAL 55 -2.297 12.490 -8.071 421 HG21 VAL 55 3HG2 VAL 55 -1.476 8.917 -7.766 422 HG22 VAL 55 1HG2 VAL 55 -1.279 10.365 -8.752 423 HG23 VAL 55 2HG2 VAL 55 -0.371 10.192 -7.252 424 H ARG 56 HN ARG 56 -5.001 10.231 -5.300 425 HA ARG 56 HA ARG 56 -5.149 12.728 -3.912 426 HB2 ARG 56 2HB ARG 56 -7.560 12.283 -3.683 427 HB3 ARG 56 3HB ARG 56 -6.999 12.095 -5.336 428 HG2 ARG 56 2HG ARG 56 -7.397 9.858 -5.364 429 HG3 ARG 56 3HG ARG 56 -7.104 9.673 -3.634 430 HD2 ARG 56 2HD ARG 56 -9.222 10.702 -3.123 431 HD3 ARG 56 3HD ARG 56 -9.523 11.006 -4.836 432 HE ARG 56 HE ARG 56 -9.778 8.636 -5.163 433 HH11 ARG 56 2HH1 ARG 56 -9.628 9.689 -1.819 434 HH12 ARG 56 1HH1 ARG 56 -10.339 8.228 -1.205 435 HH21 ARG 56 2HH2 ARG 56 -10.755 6.736 -4.346 436 HH22 ARG 56 1HH2 ARG 56 -10.961 6.557 -2.621 437 H GLU 57 HN GLU 57 -5.517 9.326 -2.895 438 HA GLU 57 HA GLU 57 -6.275 9.876 -0.262 439 HB2 GLU 57 2HB GLU 57 -4.934 7.486 -1.499 440 HB3 GLU 57 3HB GLU 57 -5.295 7.549 0.219 441 HG2 GLU 57 2HG GLU 57 -7.351 7.889 -1.951 442 HG3 GLU 57 3HG GLU 57 -6.988 6.359 -1.157 443 H LEU 58 HN LEU 58 -3.018 9.440 -1.648 444 HA LEU 58 HA LEU 58 -1.704 9.575 0.874 445 HB2 LEU 58 2HB LEU 58 -0.524 10.318 -1.787 446 HB3 LEU 58 3HB LEU 58 0.351 9.885 -0.338 447 HG LEU 58 HG LEU 58 -1.358 8.047 -2.001 448 HD11 LEU 58 1HD1 LEU 58 1.615 8.140 -1.540 449 HD12 LEU 58 2HD1 LEU 58 0.757 6.897 -2.448 450 HD13 LEU 58 3HD1 LEU 58 0.776 8.560 -3.034 451 HD21 LEU 58 3HD2 LEU 58 -0.610 6.272 -0.508 452 HD22 LEU 58 1HD2 LEU 58 0.206 7.466 0.503 453 HD23 LEU 58 2HD2 LEU 58 -1.552 7.489 0.355 454 H ARG 59 HN ARG 59 -2.675 12.026 -1.481 455 HA ARG 59 HA ARG 59 -1.342 14.176 -0.250 456 HB2 ARG 59 2HB ARG 59 -2.244 14.435 -2.466 457 HB3 ARG 59 3HB ARG 59 -3.876 14.117 -1.890 458 HG2 ARG 59 2HG ARG 59 -4.013 16.169 -0.786 459 HG3 ARG 59 3HG ARG 59 -2.268 16.433 -0.876 460 HD2 ARG 59 2HD ARG 59 -2.568 16.479 -3.401 461 HD3 ARG 59 3HD ARG 59 -4.300 16.594 -3.082 462 HE ARG 59 HE ARG 59 -3.505 18.601 -1.617 463 HH11 ARG 59 2HH1 ARG 59 -2.291 17.659 -4.755 464 HH12 ARG 59 1HH1 ARG 59 -1.748 19.248 -5.175 465 HH21 ARG 59 2HH2 ARG 59 -2.835 20.706 -2.161 466 HH22 ARG 59 1HH2 ARG 59 -2.086 21.005 -3.699 467 H GLU 60 HN GLU 60 -4.375 12.614 0.424 468 HA GLU 60 HA GLU 60 -5.181 14.663 2.304 469 HB2 GLU 60 2HB GLU 60 -6.462 12.047 1.509 470 HB3 GLU 60 3HB GLU 60 -7.192 13.241 2.577 471 HG2 GLU 60 2HG GLU 60 -6.270 14.304 0.013 472 HG3 GLU 60 3HG GLU 60 -7.567 13.125 -0.109 473 H GLU 61 HN GLU 61 -3.925 11.381 2.349 474 HA GLU 61 HA GLU 61 -4.100 11.245 5.234 475 HB2 GLU 61 2HB GLU 61 -3.115 9.334 3.131 476 HB3 GLU 61 3HB GLU 61 -2.830 9.056 4.851 477 HG2 GLU 61 2HG GLU 61 -5.536 9.450 3.633 478 HG3 GLU 61 3HG GLU 61 -4.805 7.885 4.027 479 H LEU 62 HN LEU 62 -1.471 11.335 2.815 480 HA LEU 62 HA LEU 62 0.423 11.526 5.053 481 HB2 LEU 62 2HB LEU 62 0.972 10.930 2.150 482 HB3 LEU 62 3HB LEU 62 2.128 10.846 3.465 483 HG LEU 62 HG LEU 62 -0.240 9.031 3.008 484 HD11 LEU 62 1HD1 LEU 62 1.482 7.311 2.807 485 HD12 LEU 62 2HD1 LEU 62 1.681 8.575 1.596 486 HD13 LEU 62 3HD1 LEU 62 2.733 8.536 3.011 487 HD21 LEU 62 3HD2 LEU 62 1.718 9.078 5.310 488 HD22 LEU 62 1HD2 LEU 62 -0.002 9.461 5.395 489 HD23 LEU 62 2HD2 LEU 62 0.516 7.821 5.008 490 H GLY 63 HN GLY 63 -1.224 13.709 3.398 491 HA2 GLY 63 2HA GLY 63 -0.896 15.793 2.575 492 HA3 GLY 63 3HA GLY 63 0.436 15.848 3.711 493 H ILE 64 HN ILE 64 0.570 13.545 1.073 494 HA ILE 64 HA ILE 64 2.519 15.342 -0.212 495 HB ILE 64 HB ILE 64 3.927 13.459 -0.798 496 HG12 ILE 64 2HG1 ILE 64 2.053 11.755 0.869 497 HG13 ILE 64 3HG1 ILE 64 2.169 11.716 -0.887 498 HG21 ILE 64 1HG2 ILE 64 4.801 12.947 1.417 499 HG22 ILE 64 2HG2 ILE 64 4.377 14.651 1.267 500 HG23 ILE 64 3HG2 ILE 64 3.316 13.551 2.149 501 HD11 ILE 64 3HD1 ILE 64 4.501 10.980 -0.709 502 HD12 ILE 64 1HD1 ILE 64 4.355 10.991 1.048 503 HD13 ILE 64 2HD1 ILE 64 3.389 9.869 0.092 504 H GLU 65 HN GLU 65 2.584 15.467 -2.355 505 HA GLU 65 HA GLU 65 0.452 14.216 -3.899 506 HB2 GLU 65 2HB GLU 65 2.601 16.182 -4.734 507 HB3 GLU 65 3HB GLU 65 1.211 15.704 -5.697 508 HG2 GLU 65 2HG GLU 65 -0.292 16.822 -4.252 509 HG3 GLU 65 3HG GLU 65 0.953 17.049 -3.023 510 H ALA 66 HN ALA 66 0.928 12.145 -4.442 511 HA ALA 66 HA ALA 66 3.717 11.428 -4.901 512 HB1 ALA 66 1HB ALA 66 2.380 10.079 -3.345 513 HB2 ALA 66 2HB ALA 66 1.312 9.633 -4.677 514 HB3 ALA 66 3HB ALA 66 3.006 9.136 -4.697 515 H THR 67 HN THR 67 4.408 10.278 -6.698 516 HA THR 67 HA THR 67 2.653 10.417 -9.062 517 HB THR 67 HB THR 67 5.683 10.371 -9.020 518 HG1 THR 67 1HG THR 67 5.449 12.429 -8.543 519 HG21 THR 67 3HG2 THR 67 3.730 10.893 -11.270 520 HG22 THR 67 1HG2 THR 67 4.704 9.436 -11.062 521 HG23 THR 67 2HG2 THR 67 5.487 10.981 -11.388 522 H VAL 68 HN VAL 68 1.787 8.440 -9.289 523 HA VAL 68 HA VAL 68 3.193 6.099 -8.314 524 HB VAL 68 HB VAL 68 0.509 6.152 -9.682 525 HG11 VAL 68 1HG1 VAL 68 0.125 4.125 -8.355 526 HG12 VAL 68 2HG1 VAL 68 1.516 3.957 -9.427 527 HG13 VAL 68 3HG1 VAL 68 1.759 4.251 -7.705 528 HG21 VAL 68 3HG2 VAL 68 0.437 7.750 -7.846 529 HG22 VAL 68 1HG2 VAL 68 -0.504 6.311 -7.449 530 HG23 VAL 68 2HG2 VAL 68 1.099 6.539 -6.747 531 H GLY 69 HN GLY 69 4.277 4.660 -9.569 532 HA2 GLY 69 2HA GLY 69 4.018 5.014 -12.487 533 HA3 GLY 69 3HA GLY 69 5.588 4.963 -11.712 534 H GLU 70 HN GLU 70 6.207 2.972 -10.659 535 HA GLU 70 HA GLU 70 5.637 0.847 -12.524 536 HB2 GLU 70 2HB GLU 70 7.607 -0.252 -11.399 537 HB3 GLU 70 3HB GLU 70 7.938 1.292 -12.172 538 HG2 GLU 70 2HG GLU 70 7.602 2.324 -9.864 539 HG3 GLU 70 3HG GLU 70 7.705 0.676 -9.254 540 H TYR 71 HN TYR 71 4.563 -0.925 -12.179 541 HA TYR 71 HA TYR 71 3.046 -1.273 -9.765 542 HB2 TYR 71 2HB TYR 71 1.983 -1.669 -11.876 543 HB3 TYR 71 3HB TYR 71 3.241 -2.793 -12.369 544 HD1 TYR 71 2HD TYR 71 0.559 -2.371 -9.799 545 HD2 TYR 71 1HD TYR 71 2.898 -5.062 -12.120 546 HE1 TYR 71 2HE TYR 71 -0.820 -4.249 -9.007 547 HE2 TYR 71 1HE TYR 71 1.524 -6.944 -11.340 548 HH TYR 71 HH TYR 71 0.052 -7.542 -9.578 549 H VAL 72 HN VAL 72 3.439 -2.642 -8.098 550 HA VAL 72 HA VAL 72 5.839 -4.317 -8.257 551 HB VAL 72 HB VAL 72 4.155 -3.565 -5.860 552 HG11 VAL 72 1HG1 VAL 72 5.235 -5.698 -5.491 553 HG12 VAL 72 2HG1 VAL 72 6.785 -5.033 -6.013 554 HG13 VAL 72 3HG1 VAL 72 6.030 -4.450 -4.530 555 HG21 VAL 72 3HG2 VAL 72 5.300 -1.646 -6.780 556 HG22 VAL 72 1HG2 VAL 72 6.062 -2.128 -5.263 557 HG23 VAL 72 2HG2 VAL 72 6.827 -2.531 -6.801 558 H ALA 73 HN ALA 73 2.731 -4.723 -6.549 559 HA ALA 73 HA ALA 73 2.152 -7.185 -7.938 560 HB1 ALA 73 1HB ALA 73 3.883 -7.945 -6.381 561 HB2 ALA 73 2HB ALA 73 2.932 -7.333 -5.027 562 HB3 ALA 73 3HB ALA 73 2.316 -8.661 -6.010 563 H SER 74 HN SER 74 0.313 -8.378 -6.627 564 HA SER 74 HA SER 74 -1.425 -6.494 -5.249 565 HB2 SER 74 2HB SER 74 -1.936 -6.426 -7.749 566 HB3 SER 74 3HB SER 74 -2.453 -8.105 -7.598 567 HG SER 74 HG SER 74 -3.515 -6.274 -5.786 568 H HIS 75 HN HIS 75 -3.081 -7.564 -4.007 569 HA HIS 75 HA HIS 75 -2.783 -10.475 -3.797 570 HB2 HIS 75 2HB HIS 75 -1.378 -9.429 -2.043 571 HB3 HIS 75 3HB HIS 75 -2.797 -8.591 -1.425 572 HD1 HIS 75 1HD HIS 75 -3.755 -9.721 0.553 573 HD2 HIS 75 2HD HIS 75 -1.988 -12.431 -2.047 574 HE1 HIS 75 1HE HIS 75 -4.042 -11.971 1.633 575 HE2 HIS 75 2HE HIS 75 -3.204 -13.609 -0.091 576 H GLN 76 HN GLN 76 -4.641 -11.558 -3.455 577 HA GLN 76 HA GLN 76 -7.090 -9.989 -3.061 578 HB2 GLN 76 2HB GLN 76 -6.545 -12.703 -4.201 579 HB3 GLN 76 3HB GLN 76 -8.130 -12.346 -3.534 580 HG2 GLN 76 2HG GLN 76 -8.244 -10.385 -5.070 581 HG3 GLN 76 3HG GLN 76 -6.759 -10.970 -5.826 582 HE21 GLN 76 1HE2 GLN 76 -7.759 -11.321 -7.806 583 HE22 GLN 76 2HE2 GLN 76 -8.879 -12.612 -8.060 584 H ARG 77 HN ARG 77 -8.370 -10.251 -1.340 585 HA ARG 77 HA ARG 77 -8.174 -12.544 0.390 586 HB2 ARG 77 2HB ARG 77 -7.604 -11.418 2.417 587 HB3 ARG 77 3HB ARG 77 -6.360 -11.014 1.243 588 HG2 ARG 77 2HG ARG 77 -7.264 -8.831 0.924 589 HG3 ARG 77 3HG ARG 77 -8.704 -9.232 1.863 590 HD2 ARG 77 2HD ARG 77 -5.877 -9.036 2.887 591 HD3 ARG 77 3HD ARG 77 -7.194 -7.908 3.209 592 HE ARG 77 HE ARG 77 -7.496 -10.700 4.034 593 HH11 ARG 77 2HH1 ARG 77 -7.029 -7.347 4.937 594 HH12 ARG 77 1HH1 ARG 77 -7.401 -7.620 6.614 595 HH21 ARG 77 2HH2 ARG 77 -8.002 -11.056 6.220 596 HH22 ARG 77 1HH2 ARG 77 -7.949 -9.721 7.343 597 H GLU 78 HN GLU 78 -9.848 -12.086 2.321 598 HA GLU 78 HA GLU 78 -12.003 -10.485 1.120 599 HB2 GLU 78 2HB GLU 78 -13.629 -12.011 1.810 600 HB3 GLU 78 3HB GLU 78 -12.326 -13.022 1.208 601 HG2 GLU 78 2HG GLU 78 -11.615 -13.559 3.415 602 HG3 GLU 78 3HG GLU 78 -12.710 -12.368 4.111 603 H VAL 79 HN VAL 79 -13.305 -9.273 2.447 604 HA VAL 79 HA VAL 79 -12.518 -9.136 5.270 605 HB VAL 79 HB VAL 79 -11.839 -7.043 4.354 606 HG11 VAL 79 1HG1 VAL 79 -14.598 -6.795 3.175 607 HG12 VAL 79 2HG1 VAL 79 -13.380 -5.518 3.189 608 HG13 VAL 79 3HG1 VAL 79 -13.087 -7.004 2.285 609 HG21 VAL 79 3HG2 VAL 79 -12.904 -6.932 6.531 610 HG22 VAL 79 1HG2 VAL 79 -13.210 -5.464 5.605 611 HG23 VAL 79 2HG2 VAL 79 -14.472 -6.686 5.762 612 H SER 80 HN SER 80 -14.011 -10.536 6.008 613 HA SER 80 HA SER 80 -16.018 -11.445 6.557 614 HB2 SER 80 2HB SER 80 -16.876 -8.540 6.553 615 HB3 SER 80 3HB SER 80 -17.658 -9.858 7.429 616 HG SER 80 HG SER 80 -15.131 -9.947 8.109 617 H GLY 81 HN GLY 81 -15.871 -12.113 4.079 618 HA2 GLY 81 2HA GLY 81 -17.407 -12.916 2.527 619 HA3 GLY 81 3HA GLY 81 -18.578 -11.743 3.095 620 H ARG 82 HN ARG 82 -16.119 -9.764 2.631 621 HA ARG 82 HA ARG 82 -16.889 -9.274 -0.167 622 HB2 ARG 82 2HB ARG 82 -15.467 -7.360 1.678 623 HB3 ARG 82 3HB ARG 82 -16.262 -6.990 0.155 624 HG2 ARG 82 2HG ARG 82 -18.423 -7.520 1.152 625 HG3 ARG 82 3HG ARG 82 -17.622 -7.893 2.680 626 HD2 ARG 82 2HD ARG 82 -16.694 -5.549 2.622 627 HD3 ARG 82 3HD ARG 82 -17.797 -5.238 1.280 628 HE ARG 82 HE ARG 82 -19.209 -6.342 3.473 629 HH11 ARG 82 2HH1 ARG 82 -17.695 -3.364 2.403 630 HH12 ARG 82 1HH1 ARG 82 -18.669 -2.351 3.425 631 HH21 ARG 82 2HH2 ARG 82 -20.476 -5.025 4.817 632 HH22 ARG 82 1HH2 ARG 82 -20.263 -3.305 4.798 633 H ILE 83 HN ILE 83 -15.382 -9.225 -1.791 634 HA ILE 83 HA ILE 83 -12.804 -10.384 -1.045 635 HB ILE 83 HB ILE 83 -14.299 -10.281 -3.657 636 HG12 ILE 83 2HG1 ILE 83 -13.925 -12.766 -3.522 637 HG13 ILE 83 3HG1 ILE 83 -13.233 -12.523 -1.923 638 HG21 ILE 83 1HG2 ILE 83 -12.400 -11.379 -4.744 639 HG22 ILE 83 2HG2 ILE 83 -11.971 -9.765 -4.177 640 HG23 ILE 83 3HG2 ILE 83 -11.445 -11.185 -3.274 641 HD11 ILE 83 3HD1 ILE 83 -15.539 -13.285 -1.810 642 HD12 ILE 83 1HD1 ILE 83 -15.365 -11.671 -1.122 643 HD13 ILE 83 2HD1 ILE 83 -16.059 -11.876 -2.732 644 H ILE 84 HN ILE 84 -11.231 -9.011 -0.682 645 HA ILE 84 HA ILE 84 -11.165 -6.456 -2.092 646 HB ILE 84 HB ILE 84 -8.926 -6.779 -0.330 647 HG12 ILE 84 2HG1 ILE 84 -11.613 -7.545 0.776 648 HG13 ILE 84 3HG1 ILE 84 -10.039 -8.289 1.067 649 HG21 ILE 84 1HG2 ILE 84 -10.023 -4.686 -1.126 650 HG22 ILE 84 2HG2 ILE 84 -11.356 -5.046 -0.018 651 HG23 ILE 84 3HG2 ILE 84 -9.733 -4.760 0.615 652 HD11 ILE 84 3HD1 ILE 84 -10.771 -7.062 3.014 653 HD12 ILE 84 1HD1 ILE 84 -9.344 -6.302 2.315 654 HD13 ILE 84 2HD1 ILE 84 -10.947 -5.590 2.044 655 H HIS 85 HN HIS 85 -9.613 -5.811 -3.424 656 HA HIS 85 HA HIS 85 -7.428 -7.688 -4.061 657 HB2 HIS 85 2HB HIS 85 -9.300 -7.442 -5.795 658 HB3 HIS 85 3HB HIS 85 -8.723 -5.802 -6.033 659 HD1 HIS 85 1HD HIS 85 -6.648 -8.974 -5.719 660 HD2 HIS 85 2HD HIS 85 -7.515 -5.974 -8.456 661 HE1 HIS 85 1HE HIS 85 -5.176 -9.425 -7.701 662 HE2 HIS 85 2HE HIS 85 -5.883 -7.731 -9.422 663 H LEU 86 HN LEU 86 -5.766 -6.738 -2.976 664 HA LEU 86 HA LEU 86 -5.547 -3.832 -2.959 665 HB2 LEU 86 2HB LEU 86 -4.252 -6.037 -1.412 666 HB3 LEU 86 3HB LEU 86 -3.460 -4.478 -1.499 667 HG LEU 86 HG LEU 86 -5.741 -3.541 -0.678 668 HD11 LEU 86 1HD1 LEU 86 -7.039 -5.574 -0.932 669 HD12 LEU 86 2HD1 LEU 86 -5.963 -6.425 0.175 670 HD13 LEU 86 3HD1 LEU 86 -6.971 -5.104 0.767 671 HD21 LEU 86 3HD2 LEU 86 -3.661 -3.478 0.592 672 HD22 LEU 86 1HD2 LEU 86 -5.033 -3.845 1.639 673 HD23 LEU 86 2HD2 LEU 86 -3.937 -5.132 1.138 674 H HIS 87 HN HIS 87 -4.208 -2.719 -4.169 675 HA HIS 87 HA HIS 87 -2.267 -4.182 -5.846 676 HB2 HIS 87 2HB HIS 87 -3.337 -1.394 -6.321 677 HB3 HIS 87 3HB HIS 87 -2.469 -2.418 -7.455 678 HD1 HIS 87 1HD HIS 87 -5.842 -1.949 -5.886 679 HD2 HIS 87 2HD HIS 87 -4.042 -4.200 -8.878 680 HE1 HIS 87 1HE HIS 87 -7.732 -2.973 -7.186 681 HE2 HIS 87 2HE HIS 87 -6.623 -4.165 -9.110 682 H ALA 88 HN ALA 88 -0.193 -3.966 -5.139 683 HA ALA 88 HA ALA 88 0.518 -1.575 -3.615 684 HB1 ALA 88 1HB ALA 88 2.069 -4.115 -4.122 685 HB2 ALA 88 2HB ALA 88 2.617 -2.762 -3.128 686 HB3 ALA 88 3HB ALA 88 1.194 -3.686 -2.648 687 H TRP 89 HN TRP 89 1.191 0.110 -4.711 688 HA TRP 89 HA TRP 89 2.742 -0.328 -7.178 689 HB2 TRP 89 2HB TRP 89 0.546 1.469 -6.538 690 HB3 TRP 89 3HB TRP 89 1.942 2.335 -7.168 691 HD1 TRP 89 1HD TRP 89 2.905 1.271 -9.609 692 HE1 TRP 89 1HE TRP 89 1.510 0.507 -11.632 693 HE3 TRP 89 3HE TRP 89 -1.580 0.545 -7.268 694 HZ2 TRP 89 2HZ TRP 89 -1.143 -0.292 -12.165 695 HZ3 TRP 89 3HZ TRP 89 -3.498 -0.215 -8.608 696 HH2 TRP 89 2HH TRP 89 -3.283 -0.624 -11.004 697 H HIS 90 HN HIS 90 4.704 0.617 -7.406 698 HA HIS 90 HA HIS 90 5.889 1.813 -5.033 699 HB2 HIS 90 2HB HIS 90 7.192 0.108 -6.109 700 HB3 HIS 90 3HB HIS 90 6.992 0.857 -7.679 701 HD1 HIS 90 1HD HIS 90 9.405 0.481 -5.078 702 HD2 HIS 90 2HD HIS 90 8.422 3.500 -7.754 703 HE1 HIS 90 1HE HIS 90 11.446 1.928 -5.241 704 HE2 HIS 90 2HE HIS 90 10.913 3.549 -7.087 705 H VAL 91 HN VAL 91 5.723 3.945 -4.762 706 HA VAL 91 HA VAL 91 5.471 5.669 -7.106 707 HB VAL 91 HB VAL 91 5.044 7.499 -5.439 708 HG11 VAL 91 1HG1 VAL 91 2.771 6.751 -4.919 709 HG12 VAL 91 2HG1 VAL 91 3.226 6.330 -6.570 710 HG13 VAL 91 3HG1 VAL 91 3.230 5.094 -5.312 711 HG21 VAL 91 3HG2 VAL 91 4.458 6.852 -3.149 712 HG22 VAL 91 1HG2 VAL 91 4.984 5.202 -3.485 713 HG23 VAL 91 2HG2 VAL 91 6.156 6.521 -3.500 714 HA PRO 92 HA PRO 92 9.893 6.301 -6.616 715 HB2 PRO 92 2HB PRO 92 10.317 7.352 -9.055 716 HB3 PRO 92 3HB PRO 92 10.027 5.625 -8.819 717 HG2 PRO 92 2HG PRO 92 8.130 7.754 -9.730 718 HG3 PRO 92 3HG PRO 92 8.334 6.102 -10.341 719 HD2 PRO 92 2HD PRO 92 6.360 6.852 -8.601 720 HD3 PRO 92 3HD PRO 92 7.014 5.206 -8.709 721 H ASP 93 HN ASP 93 7.388 8.596 -7.019 722 HA ASP 93 HA ASP 93 9.179 10.757 -6.178 723 HB2 ASP 93 2HB ASP 93 9.004 11.071 -8.564 724 HB3 ASP 93 3HB ASP 93 7.261 10.864 -8.499 725 H PHE 94 HN PHE 94 8.315 12.126 -4.781 726 HA PHE 94 HA PHE 94 5.449 12.383 -4.459 727 HB2 PHE 94 2HB PHE 94 5.513 11.969 -2.018 728 HB3 PHE 94 3HB PHE 94 5.898 10.530 -2.949 729 HD1 PHE 94 2HD PHE 94 8.318 9.837 -3.147 730 HD2 PHE 94 1HD PHE 94 6.982 12.806 -0.408 731 HE1 PHE 94 2HE PHE 94 10.383 9.555 -1.842 732 HE2 PHE 94 1HE PHE 94 9.049 12.535 0.900 733 HZ PHE 94 HZ PHE 94 10.752 10.907 0.183 734 H HIS 95 HN HIS 95 4.866 14.388 -3.879 735 HA HIS 95 HA HIS 95 7.028 16.268 -3.158 736 HB2 HIS 95 2HB HIS 95 6.025 16.657 -5.387 737 HB3 HIS 95 3HB HIS 95 4.438 16.789 -4.645 738 HD1 HIS 95 1HD HIS 95 3.693 19.106 -4.156 739 HD2 HIS 95 2HD HIS 95 7.843 18.806 -4.402 740 HE1 HIS 95 1HE HIS 95 4.567 21.456 -3.932 741 HE2 HIS 95 2HE HIS 95 7.059 21.268 -4.265 742 H GLY 96 HN GLY 96 6.898 16.962 -1.094 743 HA2 GLY 96 2HA GLY 96 5.273 18.454 0.223 744 HA3 GLY 96 3HA GLY 96 4.239 17.035 0.171 745 H THR 97 HN THR 97 4.402 17.419 2.570 746 HA THR 97 HA THR 97 6.812 16.104 3.640 747 HB THR 97 HB THR 97 5.022 18.041 5.124 748 HG1 THR 97 1HG THR 97 6.353 18.938 3.344 749 HG21 THR 97 3HG2 THR 97 6.187 16.432 6.563 750 HG22 THR 97 1HG2 THR 97 6.840 18.058 6.774 751 HG23 THR 97 2HG2 THR 97 7.724 16.869 5.814 752 H LEU 98 HN LEU 98 6.518 14.224 4.522 753 HA LEU 98 HA LEU 98 4.148 12.817 4.503 754 HB2 LEU 98 2HB LEU 98 6.264 12.142 6.474 755 HB3 LEU 98 3HB LEU 98 5.362 11.105 5.406 756 HG LEU 98 HG LEU 98 7.530 12.955 4.457 757 HD11 LEU 98 1HD1 LEU 98 8.475 11.306 5.959 758 HD12 LEU 98 2HD1 LEU 98 7.656 10.012 5.087 759 HD13 LEU 98 3HD1 LEU 98 8.923 10.947 4.292 760 HD21 LEU 98 3HD2 LEU 98 7.453 11.568 2.441 761 HD22 LEU 98 1HD2 LEU 98 6.119 10.641 3.129 762 HD23 LEU 98 2HD2 LEU 98 5.904 12.350 2.751 763 H GLN 99 HN GLN 99 2.416 12.868 5.794 764 HA GLN 99 HA GLN 99 2.779 13.408 8.629 765 HB2 GLN 99 2HB GLN 99 0.982 15.010 8.738 766 HB3 GLN 99 3HB GLN 99 2.183 15.572 7.586 767 HG2 GLN 99 2HG GLN 99 0.729 14.687 5.760 768 HG3 GLN 99 3HG GLN 99 -0.498 14.358 6.984 769 HE21 GLN 99 1HE2 GLN 99 -1.975 15.804 6.137 770 HE22 GLN 99 2HE2 GLN 99 -1.751 17.517 6.230 771 H ALA 100 HN ALA 100 1.022 12.650 9.929 772 HA ALA 100 HA ALA 100 -0.385 10.414 8.631 773 HB1 ALA 100 1HB ALA 100 1.210 9.903 10.452 774 HB2 ALA 100 2HB ALA 100 0.157 10.771 11.566 775 HB3 ALA 100 3HB ALA 100 -0.425 9.317 10.753 776 H HIS 101 HN HIS 101 -2.330 11.254 7.941 777 HA HIS 101 HA HIS 101 -4.060 12.729 9.680 778 HB2 HIS 101 2HB HIS 101 -4.164 12.898 7.201 779 HB3 HIS 101 3HB HIS 101 -4.714 11.231 7.130 780 HD1 HIS 101 1HD HIS 101 -5.851 14.571 8.557 781 HD2 HIS 101 2HD HIS 101 -7.414 10.940 7.250 782 HE1 HIS 101 1HE HIS 101 -8.353 14.840 8.618 783 HE2 HIS 101 2HE HIS 101 -9.275 12.685 7.690 784 H GLU 102 HN GLU 102 -4.708 9.596 8.121 785 HA GLU 102 HA GLU 102 -6.420 8.809 10.317 786 HB2 GLU 102 2HB GLU 102 -5.938 8.000 7.546 787 HB3 GLU 102 3HB GLU 102 -6.190 6.636 8.637 788 HG2 GLU 102 2HG GLU 102 -8.061 8.977 8.460 789 HG3 GLU 102 3HG GLU 102 -8.242 7.494 7.526 790 H HIS 103 HN HIS 103 -3.332 8.952 10.334 791 HA HIS 103 HA HIS 103 -2.902 6.277 11.463 792 HB2 HIS 103 2HB HIS 103 -1.012 7.769 9.623 793 HB3 HIS 103 3HB HIS 103 -0.647 6.248 10.432 794 HD1 HIS 103 1HD HIS 103 -2.799 7.677 7.659 795 HD2 HIS 103 2HD HIS 103 -1.703 3.981 9.231 796 HE1 HIS 103 1HE HIS 103 -3.593 5.971 5.998 797 HE2 HIS 103 2HE HIS 103 -3.054 3.729 7.035 798 H GLN 104 HN GLN 104 -0.721 6.293 12.722 799 HA GLN 104 HA GLN 104 -0.822 8.654 14.454 800 HB2 GLN 104 2HB GLN 104 -1.188 6.524 15.561 801 HB3 GLN 104 3HB GLN 104 0.324 5.897 14.916 802 HG2 GLN 104 2HG GLN 104 0.586 6.505 17.238 803 HG3 GLN 104 3HG GLN 104 1.559 7.562 16.215 804 HE21 GLN 104 1HE2 GLN 104 -1.170 7.327 18.311 805 HE22 GLN 104 2HE2 GLN 104 -1.441 9.026 18.502 806 H ALA 105 HN ALA 105 1.828 6.397 13.714 807 HA ALA 105 HA ALA 105 3.562 8.747 13.339 808 HB1 ALA 105 1HB ALA 105 4.303 6.043 14.458 809 HB2 ALA 105 2HB ALA 105 5.401 7.407 14.236 810 HB3 ALA 105 3HB ALA 105 4.076 7.520 15.393 811 H LEU 106 HN LEU 106 5.374 8.457 11.888 812 HA LEU 106 HA LEU 106 4.902 6.393 9.838 813 HB2 LEU 106 2HB LEU 106 5.287 9.324 9.550 814 HB3 LEU 106 3HB LEU 106 6.111 8.308 8.386 815 HG LEU 106 HG LEU 106 3.936 7.302 7.758 816 HD11 LEU 106 1HD1 LEU 106 2.813 9.380 9.623 817 HD12 LEU 106 2HD1 LEU 106 1.872 8.412 8.488 818 HD13 LEU 106 3HD1 LEU 106 2.722 7.631 9.821 819 HD21 LEU 106 3HD2 LEU 106 3.999 10.310 7.575 820 HD22 LEU 106 1HD2 LEU 106 4.875 9.203 6.520 821 HD23 LEU 106 2HD2 LEU 106 3.111 9.213 6.519 822 H VAL 107 HN VAL 107 6.662 5.294 9.145 823 HA VAL 107 HA VAL 107 9.309 6.256 9.977 824 HB VAL 107 HB VAL 107 8.473 4.508 11.591 825 HG11 VAL 107 1HG1 VAL 107 8.741 2.693 9.199 826 HG12 VAL 107 2HG1 VAL 107 8.507 2.162 10.865 827 HG13 VAL 107 3HG1 VAL 107 7.250 3.094 10.052 828 HG21 VAL 107 3HG2 VAL 107 10.848 4.959 11.339 829 HG22 VAL 107 1HG2 VAL 107 10.570 3.242 11.629 830 HG23 VAL 107 2HG2 VAL 107 10.940 3.813 10.001 831 H TRP 108 HN TRP 108 10.984 5.702 8.630 832 HA TRP 108 HA TRP 108 10.202 4.363 6.138 833 HB2 TRP 108 2HB TRP 108 12.130 5.609 5.077 834 HB3 TRP 108 3HB TRP 108 10.758 6.599 5.553 835 HD1 TRP 108 1HD TRP 108 14.440 6.018 6.310 836 HE1 TRP 108 1HE TRP 108 15.292 7.915 7.825 837 HE3 TRP 108 3HE TRP 108 9.974 8.271 7.371 838 HZ2 TRP 108 2HZ TRP 108 14.211 10.082 9.272 839 HZ3 TRP 108 3HZ TRP 108 9.971 10.252 8.826 840 HH2 TRP 108 2HH TRP 108 12.045 11.139 9.756 841 H CYS 109 HN CYS 109 10.999 2.455 5.901 842 HA CYS 109 HA CYS 109 13.631 1.806 7.003 843 HB2 CYS 109 2HB CYS 109 12.784 -0.283 8.017 844 HB3 CYS 109 3HB CYS 109 12.112 1.154 8.778 845 HG CYS 109 HG CYS 109 10.140 0.109 6.340 846 H SER 110 HN SER 110 14.476 -0.245 6.172 847 HA SER 110 HA SER 110 14.129 -0.346 3.341 848 HB2 SER 110 2HB SER 110 16.277 -0.742 4.657 849 HB3 SER 110 3HB SER 110 15.622 -2.317 5.087 850 HG SER 110 HG SER 110 15.793 -2.989 3.035 851 HA PRO 111 HA PRO 111 10.820 -3.123 2.679 852 HB2 PRO 111 2HB PRO 111 12.169 -5.098 1.145 853 HB3 PRO 111 3HB PRO 111 11.210 -3.740 0.559 854 HG2 PRO 111 2HG PRO 111 14.140 -4.007 0.811 855 HG3 PRO 111 3HG PRO 111 13.189 -3.002 -0.296 856 HD2 PRO 111 2HD PRO 111 14.550 -1.972 1.792 857 HD3 PRO 111 3HD PRO 111 13.020 -1.275 1.229 858 H GLU 112 HN GLU 112 13.816 -4.990 3.333 859 HA GLU 112 HA GLU 112 12.337 -7.252 4.266 860 HB2 GLU 112 2HB GLU 112 14.536 -8.107 5.067 861 HB3 GLU 112 3HB GLU 112 14.526 -7.664 3.369 862 HG2 GLU 112 2HG GLU 112 15.499 -5.741 5.440 863 HG3 GLU 112 3HG GLU 112 16.545 -7.023 4.830 864 H GLU 113 HN GLU 113 13.699 -4.414 5.745 865 HA GLU 113 HA GLU 113 13.485 -5.240 8.447 866 HB2 GLU 113 2HB GLU 113 13.401 -2.469 7.233 867 HB3 GLU 113 3HB GLU 113 13.569 -2.806 8.950 868 HG2 GLU 113 2HG GLU 113 15.524 -3.812 6.905 869 HG3 GLU 113 3HG GLU 113 15.676 -2.235 7.675 870 H ALA 114 HN ALA 114 11.297 -3.657 6.190 871 HA ALA 114 HA ALA 114 9.245 -2.947 7.958 872 HB1 ALA 114 1HB ALA 114 7.835 -2.764 6.018 873 HB2 ALA 114 2HB ALA 114 9.445 -2.170 5.615 874 HB3 ALA 114 3HB ALA 114 8.935 -3.770 5.076 875 H LEU 115 HN LEU 115 9.861 -5.978 6.254 876 HA LEU 115 HA LEU 115 7.334 -7.129 6.912 877 HB2 LEU 115 2HB LEU 115 9.301 -7.704 5.118 878 HB3 LEU 115 3HB LEU 115 9.571 -8.952 6.317 879 HG LEU 115 HG LEU 115 8.061 -9.503 4.307 880 HD11 LEU 115 1HD1 LEU 115 6.612 -10.921 5.628 881 HD12 LEU 115 2HD1 LEU 115 8.254 -10.939 6.273 882 HD13 LEU 115 3HD1 LEU 115 7.001 -9.996 7.081 883 HD21 LEU 115 3HD2 LEU 115 6.035 -8.020 5.971 884 HD22 LEU 115 1HD2 LEU 115 6.736 -7.405 4.475 885 HD23 LEU 115 2HD2 LEU 115 5.755 -8.871 4.454 886 H GLN 116 HN GLN 116 10.176 -6.615 8.677 887 HA GLN 116 HA GLN 116 9.801 -8.785 10.542 888 HB2 GLN 116 2HB GLN 116 11.464 -6.274 10.798 889 HB3 GLN 116 3HB GLN 116 11.585 -7.703 11.810 890 HG2 GLN 116 2HG GLN 116 12.478 -8.991 10.052 891 HG3 GLN 116 3HG GLN 116 12.071 -7.765 8.852 892 HE21 GLN 116 1HE2 GLN 116 14.143 -7.553 8.115 893 HE22 GLN 116 2HE2 GLN 116 15.386 -6.761 9.031 894 H TYR 117 HN TYR 117 8.370 -5.791 9.982 895 HA TYR 117 HA TYR 117 7.776 -5.207 12.775 896 HB2 TYR 117 2HB TYR 117 7.385 -3.744 10.185 897 HB3 TYR 117 3HB TYR 117 6.458 -3.275 11.603 898 HD1 TYR 117 2HD TYR 117 7.571 -2.258 13.531 899 HD2 TYR 117 1HD TYR 117 9.761 -3.368 10.067 900 HE1 TYR 117 2HE TYR 117 9.468 -0.894 14.304 901 HE2 TYR 117 1HE TYR 117 11.667 -2.009 10.821 902 HH TYR 117 HH TYR 117 11.979 -0.866 13.951 903 HA PRO 118 HA PRO 118 3.694 -6.887 12.657 904 HB2 PRO 118 2HB PRO 118 2.213 -5.040 13.998 905 HB3 PRO 118 3HB PRO 118 3.344 -6.139 14.794 906 HG2 PRO 118 2HG PRO 118 3.667 -3.261 14.093 907 HG3 PRO 118 3HG PRO 118 4.252 -4.148 15.511 908 HD2 PRO 118 2HD PRO 118 5.807 -3.467 13.347 909 HD3 PRO 118 3HD PRO 118 6.165 -4.814 14.440 910 H LEU 119 HN LEU 119 3.522 -6.681 10.366 911 HA LEU 119 HA LEU 119 2.054 -4.373 9.346 912 HB2 LEU 119 2HB LEU 119 3.428 -6.684 7.984 913 HB3 LEU 119 3HB LEU 119 2.466 -5.504 7.117 914 HG LEU 119 HG LEU 119 5.011 -4.946 8.658 915 HD11 LEU 119 1HD1 LEU 119 5.331 -6.163 6.556 916 HD12 LEU 119 2HD1 LEU 119 4.438 -4.909 5.695 917 HD13 LEU 119 3HD1 LEU 119 5.977 -4.524 6.472 918 HD21 LEU 119 3HD2 LEU 119 4.832 -2.681 7.734 919 HD22 LEU 119 1HD2 LEU 119 3.257 -3.085 7.047 920 HD23 LEU 119 2HD2 LEU 119 3.476 -3.056 8.797 921 H ALA 120 HN ALA 120 0.142 -4.636 8.111 922 HA ALA 120 HA ALA 120 -1.755 -6.415 9.211 923 HB1 ALA 120 1HB ALA 120 -1.921 -4.831 6.649 924 HB2 ALA 120 2HB ALA 120 -3.277 -5.536 7.530 925 HB3 ALA 120 3HB ALA 120 -2.337 -4.232 8.255 926 HA PRO 121 HA PRO 121 -1.285 -10.186 6.968 927 HB2 PRO 121 2HB PRO 121 -3.930 -10.780 6.413 928 HB3 PRO 121 3HB PRO 121 -3.111 -11.120 7.940 929 HG2 PRO 121 2HG PRO 121 -4.900 -8.839 7.215 930 HG3 PRO 121 3HG PRO 121 -4.816 -9.763 8.725 931 HD2 PRO 121 2HD PRO 121 -3.730 -7.326 8.528 932 HD3 PRO 121 3HD PRO 121 -2.943 -8.609 9.475 933 H ALA 122 HN ALA 122 -2.944 -7.521 5.507 934 HA ALA 122 HA ALA 122 -2.842 -8.771 2.865 935 HB1 ALA 122 1HB ALA 122 -3.941 -6.086 3.692 936 HB2 ALA 122 2HB ALA 122 -4.053 -6.796 2.079 937 HB3 ALA 122 3HB ALA 122 -4.881 -7.557 3.439 938 H ASP 123 HN ASP 123 -1.049 -6.708 4.868 939 HA ASP 123 HA ASP 123 0.218 -5.175 2.756 940 HB2 ASP 123 2HB ASP 123 -0.348 -4.360 5.137 941 HB3 ASP 123 3HB ASP 123 1.036 -5.312 5.662 942 H ILE 124 HN ILE 124 0.782 -8.003 4.686 943 HA ILE 124 HA ILE 124 3.595 -8.126 4.512 944 HB ILE 124 HB ILE 124 1.613 -10.365 4.948 945 HG12 ILE 124 2HG1 ILE 124 3.254 -8.765 6.923 946 HG13 ILE 124 3HG1 ILE 124 1.534 -8.539 6.622 947 HG21 ILE 124 1HG2 ILE 124 3.769 -11.222 4.182 948 HG22 ILE 124 2HG2 ILE 124 4.591 -10.303 5.443 949 HG23 ILE 124 3HG2 ILE 124 3.497 -11.618 5.879 950 HD11 ILE 124 3HD1 ILE 124 1.970 -9.835 8.648 951 HD12 ILE 124 1HD1 ILE 124 1.072 -10.764 7.446 952 HD13 ILE 124 2HD1 ILE 124 2.796 -11.056 7.680 953 HA PRO 125 HA PRO 125 2.854 -11.356 0.857 954 HB2 PRO 125 2HB PRO 125 0.512 -10.787 -0.537 955 HB3 PRO 125 3HB PRO 125 0.732 -12.129 0.593 956 HG2 PRO 125 2HG PRO 125 -0.498 -9.446 1.050 957 HG3 PRO 125 3HG PRO 125 -1.011 -11.035 1.649 958 HD2 PRO 125 2HD PRO 125 0.270 -9.325 3.244 959 HD3 PRO 125 3HD PRO 125 0.616 -11.065 3.317 960 H LEU 126 HN LEU 126 1.662 -8.049 0.760 961 HA LEU 126 HA LEU 126 2.436 -7.562 -1.945 962 HB2 LEU 126 2HB LEU 126 1.848 -5.643 0.315 963 HB3 LEU 126 3HB LEU 126 2.082 -5.173 -1.358 964 HG LEU 126 HG LEU 126 -0.148 -6.933 -0.329 965 HD11 LEU 126 1HD1 LEU 126 -0.161 -4.066 -1.261 966 HD12 LEU 126 2HD1 LEU 126 -1.586 -5.022 -0.855 967 HD13 LEU 126 3HD1 LEU 126 -0.403 -4.628 0.393 968 HD21 LEU 126 3HD2 LEU 126 0.378 -5.810 -3.079 969 HD22 LEU 126 1HD2 LEU 126 0.477 -7.505 -2.608 970 HD23 LEU 126 2HD2 LEU 126 -1.076 -6.674 -2.583 971 H LEU 127 HN LEU 127 3.876 -6.986 1.230 972 HA LEU 127 HA LEU 127 6.154 -5.618 0.211 973 HB2 LEU 127 2HB LEU 127 5.236 -5.470 2.559 974 HB3 LEU 127 3HB LEU 127 5.904 -7.060 2.850 975 HG LEU 127 HG LEU 127 7.264 -5.103 3.705 976 HD11 LEU 127 1HD1 LEU 127 9.414 -6.046 3.025 977 HD12 LEU 127 2HD1 LEU 127 8.258 -7.302 3.468 978 HD13 LEU 127 3HD1 LEU 127 8.603 -6.980 1.769 979 HD21 LEU 127 3HD2 LEU 127 6.963 -3.610 1.826 980 HD22 LEU 127 1HD2 LEU 127 8.676 -3.949 2.072 981 HD23 LEU 127 2HD2 LEU 127 7.797 -4.745 0.765 982 H GLU 128 HN GLU 128 5.457 -9.001 1.073 983 HA GLU 128 HA GLU 128 8.008 -10.055 0.885 984 HB2 GLU 128 2HB GLU 128 5.436 -11.348 -0.031 985 HB3 GLU 128 3HB GLU 128 6.946 -12.189 0.286 986 HG2 GLU 128 2HG GLU 128 6.751 -11.199 2.651 987 HG3 GLU 128 3HG GLU 128 5.069 -10.895 2.216 988 H ALA 129 HN ALA 129 5.694 -9.376 -1.719 989 HA ALA 129 HA ALA 129 7.495 -10.374 -3.723 990 HB1 ALA 129 1HB ALA 129 5.075 -8.659 -4.196 991 HB2 ALA 129 2HB ALA 129 5.899 -9.733 -5.331 992 HB3 ALA 129 3HB ALA 129 5.013 -10.411 -3.964 993 H PHE 130 HN PHE 130 7.004 -7.298 -2.151 994 HA PHE 130 HA PHE 130 8.125 -5.729 -4.247 995 HB2 PHE 130 2HB PHE 130 6.701 -4.744 -2.480 996 HB3 PHE 130 3HB PHE 130 7.933 -5.134 -1.283 997 HD1 PHE 130 1HD PHE 130 7.339 -3.183 -4.373 998 HD2 PHE 130 2HD PHE 130 9.672 -3.640 -0.850 999 HE1 PHE 130 1HE PHE 130 8.425 -1.024 -4.819 1000 HE2 PHE 130 2HE PHE 130 10.764 -1.481 -1.291 1001 HZ PHE 130 HZ PHE 130 10.143 -0.169 -3.274 1002 H MET 131 HN MET 131 9.356 -7.099 -1.210 1003 HA MET 131 HA MET 131 12.049 -6.366 -1.662 1004 HB2 MET 131 2HB MET 131 12.625 -7.941 0.090 1005 HB3 MET 131 3HB MET 131 11.190 -7.043 0.559 1006 HG2 MET 131 2HG MET 131 9.789 -8.940 -0.046 1007 HG3 MET 131 3HG MET 131 11.218 -9.839 -0.548 1008 HE1 MET 131 3HE MET 131 13.088 -10.714 1.113 1009 HE2 MET 131 1HE MET 131 13.343 -9.061 1.674 1010 HE3 MET 131 2HE MET 131 13.097 -10.362 2.839 1011 H ALA 132 HN ALA 132 10.110 -9.181 -2.632 1012 HA ALA 132 HA ALA 132 12.103 -10.711 -3.795 1013 HB1 ALA 132 1HB ALA 132 9.816 -11.497 -3.513 1014 HB2 ALA 132 2HB ALA 132 9.235 -10.319 -4.694 1015 HB3 ALA 132 3HB ALA 132 10.303 -11.633 -5.200 1016 H LEU 133 HN LEU 133 10.303 -7.952 -5.103 1017 HA LEU 133 HA LEU 133 11.260 -8.206 -7.753 1018 HB2 LEU 133 2HB LEU 133 9.633 -6.334 -6.239 1019 HB3 LEU 133 3HB LEU 133 10.668 -5.521 -7.396 1020 HG LEU 133 HG LEU 133 9.735 -6.986 -9.188 1021 HD11 LEU 133 1HD1 LEU 133 7.699 -8.239 -8.759 1022 HD12 LEU 133 2HD1 LEU 133 9.027 -8.850 -7.772 1023 HD13 LEU 133 3HD1 LEU 133 7.787 -7.826 -7.047 1024 HD21 LEU 133 3HD2 LEU 133 7.582 -5.825 -9.319 1025 HD22 LEU 133 1HD2 LEU 133 7.752 -5.333 -7.634 1026 HD23 LEU 133 2HD2 LEU 133 8.888 -4.739 -8.843 1027 H ARG 134 HN ARG 134 12.386 -6.334 -4.961 1028 HA ARG 134 HA ARG 134 14.375 -4.938 -6.466 1029 HB2 ARG 134 2HB ARG 134 14.316 -5.339 -3.475 1030 HB3 ARG 134 3HB ARG 134 15.107 -4.047 -4.367 1031 HG2 ARG 134 2HG ARG 134 12.927 -3.181 -5.050 1032 HG3 ARG 134 3HG ARG 134 12.132 -4.481 -4.159 1033 HD2 ARG 134 2HD ARG 134 12.041 -2.733 -2.652 1034 HD3 ARG 134 3HD ARG 134 13.496 -3.586 -2.140 1035 HE ARG 134 HE ARG 134 13.373 -1.018 -3.566 1036 HH11 ARG 134 2HH1 ARG 134 15.264 -3.465 -1.882 1037 HH12 ARG 134 1HH1 ARG 134 16.656 -2.441 -1.703 1038 HH21 ARG 134 2HH2 ARG 134 15.187 0.318 -3.329 1039 HH22 ARG 134 1HH2 ARG 134 16.616 -0.296 -2.540 1040 H ALA 135 HN ALA 135 14.249 -8.014 -4.875 1041 HA ALA 135 HA ALA 135 17.139 -8.222 -4.637 1042 HB1 ALA 135 1HB ALA 135 16.695 -10.396 -3.621 1043 HB2 ALA 135 2HB ALA 135 15.731 -9.129 -2.863 1044 HB3 ALA 135 3HB ALA 135 14.984 -10.237 -4.012 1045 H ALA 136 HN ALA 136 14.541 -9.476 -6.647 1046 HA ALA 136 HA ALA 136 16.423 -11.164 -8.115 1047 HB1 ALA 136 1HB ALA 136 14.458 -12.067 -9.238 1048 HB2 ALA 136 2HB ALA 136 14.259 -12.121 -7.486 1049 HB3 ALA 136 3HB ALA 136 13.436 -10.879 -8.429 1050 H ARG 137 HN ARG 137 14.562 -8.250 -8.424 1051 HA ARG 137 HA ARG 137 14.542 -6.553 -9.899 1052 HB2 ARG 137 2HB ARG 137 16.950 -6.645 -9.980 1053 HB3 ARG 137 3HB ARG 137 16.903 -7.971 -11.136 1054 HG2 ARG 137 2HG ARG 137 15.898 -6.509 -12.798 1055 HG3 ARG 137 3HG ARG 137 15.882 -5.184 -11.637 1056 HD2 ARG 137 2HD ARG 137 17.758 -4.953 -13.157 1057 HD3 ARG 137 3HD ARG 137 18.325 -5.262 -11.518 1058 HE ARG 137 HE ARG 137 18.279 -7.734 -12.595 1059 HH11 ARG 137 2HH1 ARG 137 19.593 -4.695 -13.761 1060 HH12 ARG 137 1HH1 ARG 137 20.940 -5.445 -14.569 1061 HH21 ARG 137 2HH2 ARG 137 20.039 -8.719 -13.663 1062 HH22 ARG 137 1HH2 ARG 137 21.177 -7.734 -14.542 1063 HA PRO 138 HA PRO 138 11.808 -8.476 -12.840 1064 HB2 PRO 138 2HB PRO 138 10.486 -6.216 -13.509 1065 HB3 PRO 138 3HB PRO 138 10.193 -7.067 -11.989 1066 HG2 PRO 138 2HG PRO 138 11.850 -4.631 -12.509 1067 HG3 PRO 138 3HG PRO 138 10.739 -4.966 -11.169 1068 HD2 PRO 138 2HD PRO 138 13.440 -5.221 -10.963 1069 HD3 PRO 138 3HD PRO 138 12.295 -6.194 -10.017 1070 H ALA 139 HN ALA 139 11.534 -8.450 -15.105 1071 HA ALA 139 HA ALA 139 13.833 -7.743 -16.589 1072 HB1 ALA 139 1HB ALA 139 12.563 -8.517 -18.542 1073 HB2 ALA 139 2HB ALA 139 12.440 -9.647 -17.194 1074 HB3 ALA 139 3HB ALA 139 11.097 -8.566 -17.564 1075 H ASP 140 HN ASP 140 10.670 -6.279 -16.193 1076 HA ASP 140 HA ASP 140 11.654 -3.908 -17.641 1077 HB2 ASP 140 2HB ASP 140 9.792 -4.935 -18.857 1078 HB3 ASP 140 3HB ASP 140 8.801 -4.900 -17.401 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -27.035 -12.542 -8.213 2 H2 GLY 1 2H GLY 1 -25.576 -12.795 -9.039 3 H3 GLY 1 3H GLY 1 -25.666 -13.080 -7.372 4 HA2 GLY 1 3HA GLY 1 -27.289 -14.867 -7.784 5 HA3 GLY 1 2HA GLY 1 -27.024 -14.620 -9.506 6 HA PRO 2 HA PRO 2 -24.207 -18.033 -8.177 7 HB2 PRO 2 2HB PRO 2 -24.013 -19.045 -10.740 8 HB3 PRO 2 3HB PRO 2 -25.211 -19.548 -9.544 9 HG2 PRO 2 2HG PRO 2 -25.487 -17.623 -11.810 10 HG3 PRO 2 3HG PRO 2 -26.645 -18.822 -11.207 11 HD2 PRO 2 2HD PRO 2 -26.888 -16.206 -10.645 12 HD3 PRO 2 3HD PRO 2 -27.340 -17.461 -9.471 13 H LEU 3 HN LEU 3 -23.868 -16.368 -11.329 14 HA LEU 3 HA LEU 3 -20.990 -16.181 -10.846 15 HB2 LEU 3 2HB LEU 3 -22.668 -15.679 -13.298 16 HB3 LEU 3 3HB LEU 3 -20.982 -15.214 -13.207 17 HG LEU 3 HG LEU 3 -20.452 -17.648 -12.733 18 HD11 LEU 3 1HD1 LEU 3 -23.289 -18.032 -13.677 19 HD12 LEU 3 2HD1 LEU 3 -22.677 -18.372 -12.057 20 HD13 LEU 3 3HD1 LEU 3 -22.093 -19.305 -13.434 21 HD21 LEU 3 3HD2 LEU 3 -21.703 -16.942 -15.383 22 HD22 LEU 3 1HD2 LEU 3 -20.600 -18.287 -15.091 23 HD23 LEU 3 2HD2 LEU 3 -20.037 -16.627 -14.895 24 H GLY 4 HN GLY 4 -20.850 -14.619 -9.301 25 HA2 GLY 4 2HA GLY 4 -20.413 -12.145 -9.333 26 HA3 GLY 4 3HA GLY 4 -22.052 -12.001 -9.954 27 H SER 5 HN SER 5 -21.283 -14.385 -7.540 28 HA SER 5 HA SER 5 -23.047 -13.113 -5.639 29 HB2 SER 5 2HB SER 5 -22.366 -15.155 -4.234 30 HB3 SER 5 3HB SER 5 -23.241 -15.481 -5.733 31 HG SER 5 HG SER 5 -20.835 -16.363 -5.003 32 H MET 6 HN MET 6 -19.682 -13.459 -6.256 33 HA MET 6 HA MET 6 -18.906 -12.324 -3.693 34 HB2 MET 6 2HB MET 6 -17.240 -13.071 -6.105 35 HB3 MET 6 3HB MET 6 -16.613 -12.571 -4.543 36 HG2 MET 6 2HG MET 6 -17.609 -14.551 -3.512 37 HG3 MET 6 3HG MET 6 -18.219 -15.052 -5.088 38 HE1 MET 6 3HE MET 6 -14.833 -15.600 -7.046 39 HE2 MET 6 1HE MET 6 -15.751 -14.098 -6.927 40 HE3 MET 6 2HE MET 6 -16.592 -15.629 -7.165 41 H LYS 7 HN LYS 7 -18.495 -10.221 -3.388 42 HA LYS 7 HA LYS 7 -18.632 -8.447 -5.723 43 HB2 LYS 7 2HB LYS 7 -19.014 -7.917 -2.769 44 HB3 LYS 7 3HB LYS 7 -18.885 -6.633 -3.959 45 HG2 LYS 7 2HG LYS 7 -21.186 -6.944 -3.531 46 HG3 LYS 7 3HG LYS 7 -20.871 -7.638 -5.119 47 HD2 LYS 7 2HD LYS 7 -22.343 -9.084 -3.826 48 HD3 LYS 7 3HD LYS 7 -20.795 -9.878 -4.118 49 HE2 LYS 7 2HE LYS 7 -20.061 -9.243 -1.861 50 HE3 LYS 7 3HE LYS 7 -21.628 -8.485 -1.574 51 HZ1 LYS 7 3HZ LYS 7 -21.473 -10.728 -0.633 52 HZ2 LYS 7 1HZ LYS 7 -21.225 -11.366 -2.185 53 HZ3 LYS 7 2HZ LYS 7 -22.697 -10.618 -1.806 54 H MET 8 HN MET 8 -16.953 -6.934 -6.101 55 HA MET 8 HA MET 8 -14.455 -7.778 -4.810 56 HB2 MET 8 2HB MET 8 -15.029 -6.707 -7.559 57 HB3 MET 8 3HB MET 8 -13.406 -6.665 -6.881 58 HG2 MET 8 2HG MET 8 -13.389 -9.059 -6.648 59 HG3 MET 8 3HG MET 8 -15.062 -9.157 -7.188 60 HE1 MET 8 3HE MET 8 -11.395 -8.182 -8.208 61 HE2 MET 8 1HE MET 8 -12.312 -6.756 -8.691 62 HE3 MET 8 2HE MET 8 -11.592 -7.795 -9.919 63 H ILE 9 HN ILE 9 -13.393 -6.500 -3.604 64 HA ILE 9 HA ILE 9 -14.039 -3.626 -3.515 65 HB ILE 9 HB ILE 9 -12.735 -5.425 -1.464 66 HG12 ILE 9 2HG1 ILE 9 -15.501 -4.239 -1.617 67 HG13 ILE 9 3HG1 ILE 9 -15.064 -5.943 -1.600 68 HG21 ILE 9 1HG2 ILE 9 -13.624 -2.599 -0.983 69 HG22 ILE 9 2HG2 ILE 9 -11.978 -3.021 -1.458 70 HG23 ILE 9 3HG2 ILE 9 -12.641 -3.648 0.059 71 HD11 ILE 9 3HD1 ILE 9 -15.930 -5.347 0.542 72 HD12 ILE 9 1HD1 ILE 9 -14.807 -3.991 0.670 73 HD13 ILE 9 2HD1 ILE 9 -14.196 -5.647 0.702 74 H GLU 10 HN GLU 10 -12.479 -2.297 -4.329 75 HA GLU 10 HA GLU 10 -9.851 -3.496 -4.832 76 HB2 GLU 10 2HB GLU 10 -11.280 -1.177 -6.136 77 HB3 GLU 10 3HB GLU 10 -9.558 -1.455 -6.349 78 HG2 GLU 10 2HG GLU 10 -11.047 -3.865 -6.858 79 HG3 GLU 10 3HG GLU 10 -11.640 -2.533 -7.850 80 H VAL 11 HN VAL 11 -8.202 -2.905 -3.644 81 HA VAL 11 HA VAL 11 -8.294 -0.300 -2.283 82 HB VAL 11 HB VAL 11 -7.215 -2.888 -1.139 83 HG11 VAL 11 1HG1 VAL 11 -5.844 -0.987 -0.477 84 HG12 VAL 11 2HG1 VAL 11 -6.780 -1.583 0.894 85 HG13 VAL 11 3HG1 VAL 11 -7.284 -0.117 0.054 86 HG21 VAL 11 3HG2 VAL 11 -8.972 -2.629 0.550 87 HG22 VAL 11 1HG2 VAL 11 -9.650 -2.786 -1.071 88 HG23 VAL 11 2HG2 VAL 11 -9.573 -1.204 -0.298 89 H VAL 12 HN VAL 12 -6.615 0.939 -2.750 90 HA VAL 12 HA VAL 12 -4.355 -0.312 -4.131 91 HB VAL 12 HB VAL 12 -3.818 2.085 -4.809 92 HG11 VAL 12 1HG1 VAL 12 -5.500 2.071 -6.608 93 HG12 VAL 12 2HG1 VAL 12 -6.399 0.827 -5.739 94 HG13 VAL 12 3HG1 VAL 12 -4.782 0.481 -6.354 95 HG21 VAL 12 3HG2 VAL 12 -6.648 2.525 -3.847 96 HG22 VAL 12 1HG2 VAL 12 -5.676 3.677 -4.763 97 HG23 VAL 12 2HG2 VAL 12 -5.194 3.219 -3.128 98 H ALA 13 HN ALA 13 -2.347 -0.244 -3.322 99 HA ALA 13 HA ALA 13 -1.975 1.154 -0.760 100 HB1 ALA 13 1HB ALA 13 -0.421 -0.623 -0.132 101 HB2 ALA 13 2HB ALA 13 -0.697 -1.426 -1.678 102 HB3 ALA 13 3HB ALA 13 -2.011 -1.290 -0.507 103 H ALA 14 HN ALA 14 -0.339 2.557 -0.647 104 HA ALA 14 HA ALA 14 1.346 2.838 -3.036 105 HB1 ALA 14 1HB ALA 14 1.762 5.142 -2.169 106 HB2 ALA 14 2HB ALA 14 0.583 4.820 -0.895 107 HB3 ALA 14 3HB ALA 14 0.083 4.818 -2.586 108 H ILE 15 HN ILE 15 3.290 1.977 -2.844 109 HA ILE 15 HA ILE 15 4.535 1.781 -0.219 110 HB ILE 15 HB ILE 15 5.294 0.654 -2.918 111 HG12 ILE 15 2HG1 ILE 15 4.143 -0.470 -0.382 112 HG13 ILE 15 3HG1 ILE 15 3.561 -0.647 -2.033 113 HG21 ILE 15 1HG2 ILE 15 7.188 -0.414 -1.921 114 HG22 ILE 15 2HG2 ILE 15 6.766 0.213 -0.332 115 HG23 ILE 15 3HG2 ILE 15 7.301 1.317 -1.599 116 HD11 ILE 15 3HD1 ILE 15 5.434 -2.121 -2.542 117 HD12 ILE 15 1HD1 ILE 15 4.484 -2.724 -1.182 118 HD13 ILE 15 2HD1 ILE 15 6.035 -1.924 -0.883 119 H ILE 16 HN ILE 16 5.375 3.722 0.367 120 HA ILE 16 HA ILE 16 6.604 5.452 -1.611 121 HB ILE 16 HB ILE 16 6.735 5.961 1.338 122 HG12 ILE 16 2HG1 ILE 16 4.359 5.178 0.653 123 HG13 ILE 16 3HG1 ILE 16 4.515 6.669 1.571 124 HG21 ILE 16 1HG2 ILE 16 6.347 7.736 -1.070 125 HG22 ILE 16 2HG2 ILE 16 7.817 7.540 -0.115 126 HG23 ILE 16 3HG2 ILE 16 6.397 8.305 0.599 127 HD11 ILE 16 3HD1 ILE 16 4.267 7.954 -0.468 128 HD12 ILE 16 1HD1 ILE 16 2.895 6.879 -0.208 129 HD13 ILE 16 2HD1 ILE 16 4.127 6.461 -1.400 130 H GLU 17 HN GLU 17 8.615 4.694 -2.198 131 HA GLU 17 HA GLU 17 10.378 3.898 0.008 132 HB2 GLU 17 2HB GLU 17 9.711 1.893 -1.172 133 HB3 GLU 17 3HB GLU 17 10.150 2.607 -2.714 134 HG2 GLU 17 2HG GLU 17 12.197 2.218 -0.565 135 HG3 GLU 17 3HG GLU 17 11.731 0.892 -1.628 136 H ARG 18 HN ARG 18 12.042 5.122 0.204 137 HA ARG 18 HA ARG 18 13.555 5.947 -2.111 138 HB2 ARG 18 2HB ARG 18 11.774 7.775 -1.449 139 HB3 ARG 18 3HB ARG 18 12.925 8.133 -0.168 140 HG2 ARG 18 2HG ARG 18 13.458 9.601 -1.918 141 HG3 ARG 18 3HG ARG 18 14.680 8.331 -1.982 142 HD2 ARG 18 2HD ARG 18 12.256 8.619 -3.760 143 HD3 ARG 18 3HD ARG 18 13.941 8.834 -4.224 144 HE ARG 18 HE ARG 18 13.246 6.216 -3.195 145 HH11 ARG 18 1HH1 ARG 18 13.603 8.206 -6.068 146 HH12 ARG 18 2HH1 ARG 18 13.820 6.835 -7.117 147 HH21 ARG 18 1HH2 ARG 18 13.525 4.434 -4.579 148 HH22 ARG 18 2HH2 ARG 18 13.764 4.703 -6.285 149 H ASP 19 HN ASP 19 15.706 6.409 -1.613 150 HA ASP 19 HA ASP 19 17.669 6.263 -0.469 151 HB2 ASP 19 2HB ASP 19 15.996 6.246 2.060 152 HB3 ASP 19 3HB ASP 19 17.748 6.395 1.988 153 H GLY 20 HN GLY 20 15.383 4.001 -0.727 154 HA2 GLY 20 2HA GLY 20 15.861 1.689 -0.887 155 HA3 GLY 20 3HA GLY 20 17.124 1.897 0.322 156 H LYS 21 HN LYS 21 14.432 3.666 1.178 157 HA LYS 21 HA LYS 21 13.545 1.504 2.966 158 HB2 LYS 21 2HB LYS 21 13.692 4.435 3.650 159 HB3 LYS 21 3HB LYS 21 13.253 3.122 4.734 160 HG2 LYS 21 2HG LYS 21 15.634 2.227 4.019 161 HG3 LYS 21 3HG LYS 21 15.908 3.935 3.705 162 HD2 LYS 21 2HD LYS 21 15.673 4.536 5.910 163 HD3 LYS 21 3HD LYS 21 14.673 3.134 6.297 164 HE2 LYS 21 2HE LYS 21 16.522 1.694 6.345 165 HE3 LYS 21 3HE LYS 21 17.559 2.859 5.537 166 HZ1 LYS 21 3HZ LYS 21 16.489 3.041 8.305 167 HZ2 LYS 21 1HZ LYS 21 17.364 4.280 7.540 168 HZ3 LYS 21 2HZ LYS 21 18.106 2.788 7.859 169 H ILE 22 HN ILE 22 11.424 1.405 3.577 170 HA ILE 22 HA ILE 22 9.554 2.720 1.730 171 HB ILE 22 HB ILE 22 8.958 0.313 3.439 172 HG12 ILE 22 2HG1 ILE 22 10.133 0.343 0.651 173 HG13 ILE 22 3HG1 ILE 22 10.940 -0.222 2.109 174 HG21 ILE 22 1HG2 ILE 22 7.342 -0.122 1.542 175 HG22 ILE 22 2HG2 ILE 22 7.740 1.500 0.957 176 HG23 ILE 22 3HG2 ILE 22 6.999 1.294 2.544 177 HD11 ILE 22 3HD1 ILE 22 9.278 -1.989 2.336 178 HD12 ILE 22 1HD1 ILE 22 10.135 -2.080 0.798 179 HD13 ILE 22 2HD1 ILE 22 8.493 -1.434 0.856 180 H LEU 23 HN LEU 23 7.664 3.626 2.497 181 HA LEU 23 HA LEU 23 7.811 4.706 5.176 182 HB2 LEU 23 2HB LEU 23 7.290 6.101 3.202 183 HB3 LEU 23 3HB LEU 23 5.814 5.187 2.969 184 HG LEU 23 HG LEU 23 5.049 5.982 5.219 185 HD11 LEU 23 1HD1 LEU 23 7.454 7.780 4.985 186 HD12 LEU 23 2HD1 LEU 23 7.248 6.477 6.156 187 HD13 LEU 23 3HD1 LEU 23 6.190 7.888 6.210 188 HD21 LEU 23 3HD2 LEU 23 5.698 8.187 3.264 189 HD22 LEU 23 1HD2 LEU 23 4.377 8.155 4.431 190 HD23 LEU 23 2HD2 LEU 23 4.373 7.040 3.059 191 H LEU 24 HN LEU 24 6.834 3.835 6.842 192 HA LEU 24 HA LEU 24 4.314 2.345 6.422 193 HB2 LEU 24 2HB LEU 24 6.376 1.987 8.599 194 HB3 LEU 24 3HB LEU 24 4.798 1.229 8.607 195 HG LEU 24 HG LEU 24 7.027 0.725 6.663 196 HD11 LEU 24 1HD1 LEU 24 5.720 -1.026 8.724 197 HD12 LEU 24 2HD1 LEU 24 7.337 -0.326 8.816 198 HD13 LEU 24 3HD1 LEU 24 6.969 -1.536 7.587 199 HD21 LEU 24 3HD2 LEU 24 5.580 -0.946 5.632 200 HD22 LEU 24 1HD2 LEU 24 4.899 0.673 5.481 201 HD23 LEU 24 2HD2 LEU 24 4.253 -0.444 6.682 202 H ALA 25 HN ALA 25 2.675 2.604 8.053 203 HA ALA 25 HA ALA 25 2.957 5.075 9.628 204 HB1 ALA 25 1HB ALA 25 1.732 5.572 7.576 205 HB2 ALA 25 2HB ALA 25 0.703 5.743 8.999 206 HB3 ALA 25 3HB ALA 25 0.559 4.316 7.971 207 H GLN 26 HN GLN 26 2.559 4.729 11.701 208 HA GLN 26 HA GLN 26 1.151 2.344 12.571 209 HB2 GLN 26 2HB GLN 26 3.284 3.315 13.614 210 HB3 GLN 26 3HB GLN 26 2.247 4.535 14.329 211 HG2 GLN 26 2HG GLN 26 1.905 1.578 14.766 212 HG3 GLN 26 3HG GLN 26 2.844 2.626 15.821 213 HE21 GLN 26 1HE2 GLN 26 1.750 4.240 17.028 214 HE22 GLN 26 2HE2 GLN 26 0.059 4.076 17.391 215 H ARG 27 HN ARG 27 -0.992 2.566 12.192 216 HA ARG 27 HA ARG 27 -2.626 3.478 14.163 217 HB2 ARG 27 2HB ARG 27 -1.923 5.795 13.519 218 HB3 ARG 27 3HB ARG 27 -2.642 5.528 11.939 219 HG2 ARG 27 2HG ARG 27 -4.360 6.610 12.945 220 HG3 ARG 27 3HG ARG 27 -4.770 4.958 13.399 221 HD2 ARG 27 2HD ARG 27 -3.233 6.914 15.101 222 HD3 ARG 27 3HD ARG 27 -4.942 6.531 15.285 223 HE ARG 27 HE ARG 27 -2.753 4.599 15.719 224 HH11 ARG 27 1HH1 ARG 27 -5.910 5.898 16.477 225 HH12 ARG 27 2HH1 ARG 27 -6.206 4.776 17.766 226 HH21 ARG 27 1HH2 ARG 27 -3.121 3.137 17.440 227 HH22 ARG 27 2HH2 ARG 27 -4.619 3.204 18.321 228 HA PRO 28 HA PRO 28 -5.069 1.224 11.091 229 HB2 PRO 28 2HB PRO 28 -6.432 -0.291 12.784 230 HB3 PRO 28 3HB PRO 28 -4.699 -0.576 12.567 231 HG2 PRO 28 2HG PRO 28 -6.105 0.947 14.733 232 HG3 PRO 28 3HG PRO 28 -4.846 -0.290 14.881 233 HD2 PRO 28 2HD PRO 28 -4.343 2.411 14.928 234 HD3 PRO 28 3HD PRO 28 -3.156 1.197 14.408 235 H ALA 29 HN ALA 29 -7.738 0.597 12.101 236 HA ALA 29 HA ALA 29 -8.889 3.209 12.711 237 HB1 ALA 29 1HB ALA 29 -8.788 3.158 10.274 238 HB2 ALA 29 2HB ALA 29 -10.458 3.112 10.843 239 HB3 ALA 29 3HB ALA 29 -9.683 1.637 10.262 240 H GLN 30 HN GLN 30 -10.022 0.034 11.573 241 HA GLN 30 HA GLN 30 -12.047 0.079 13.702 242 HB2 GLN 30 2HB GLN 30 -11.966 -1.511 11.127 243 HB3 GLN 30 3HB GLN 30 -13.272 -1.547 12.306 244 HG2 GLN 30 2HG GLN 30 -13.780 0.765 11.886 245 HG3 GLN 30 3HG GLN 30 -12.395 0.908 10.805 246 HE21 GLN 30 1HE2 GLN 30 -13.666 1.549 9.089 247 HE22 GLN 30 2HE2 GLN 30 -14.698 0.442 8.241 248 H SER 31 HN SER 31 -9.143 -0.847 13.709 249 HA SER 31 HA SER 31 -9.401 -3.689 14.242 250 HB2 SER 31 2HB SER 31 -6.945 -1.959 14.539 251 HB3 SER 31 3HB SER 31 -7.016 -3.713 14.351 252 HG SER 31 HG SER 31 -7.634 -3.476 12.246 253 H ASP 32 HN ASP 32 -9.328 -0.702 15.949 254 HA ASP 32 HA ASP 32 -9.395 -0.128 18.144 255 HB2 ASP 32 2HB ASP 32 -10.248 -3.019 18.447 256 HB3 ASP 32 3HB ASP 32 -10.254 -1.855 19.766 257 H GLN 33 HN GLN 33 -6.941 -1.228 16.911 258 HA GLN 33 HA GLN 33 -5.543 -2.081 19.357 259 HB2 GLN 33 2HB GLN 33 -4.841 -2.861 16.520 260 HB3 GLN 33 3HB GLN 33 -3.997 -3.366 17.973 261 HG2 GLN 33 2HG GLN 33 -6.128 -4.480 18.698 262 HG3 GLN 33 3HG GLN 33 -6.763 -4.136 17.093 263 HE21 GLN 33 1HE2 GLN 33 -6.967 -6.335 16.606 264 HE22 GLN 33 2HE2 GLN 33 -5.588 -7.328 16.266 265 H ALA 34 HN ALA 34 -3.030 -1.749 18.895 266 HA ALA 34 HA ALA 34 -2.448 0.641 17.370 267 HB1 ALA 34 1HB ALA 34 -3.236 1.580 19.483 268 HB2 ALA 34 2HB ALA 34 -1.504 1.852 19.285 269 HB3 ALA 34 3HB ALA 34 -2.081 0.583 20.366 270 H GLY 35 HN GLY 35 -0.236 0.844 16.911 271 HA2 GLY 35 2HA GLY 35 2.055 0.331 17.565 272 HA3 GLY 35 3HA GLY 35 1.498 -1.248 18.069 273 H LEU 36 HN LEU 36 -0.217 -1.386 15.630 274 HA LEU 36 HA LEU 36 1.703 -2.666 13.968 275 HB2 LEU 36 2HB LEU 36 -1.265 -2.216 13.799 276 HB3 LEU 36 3HB LEU 36 -0.381 -2.995 12.505 277 HG LEU 36 HG LEU 36 0.217 -4.849 13.936 278 HD11 LEU 36 1HD1 LEU 36 -1.219 -3.401 16.160 279 HD12 LEU 36 2HD1 LEU 36 0.522 -3.650 16.050 280 HD13 LEU 36 3HD1 LEU 36 -0.555 -5.033 16.241 281 HD21 LEU 36 3HD2 LEU 36 -1.998 -5.734 14.407 282 HD22 LEU 36 1HD2 LEU 36 -1.952 -4.911 12.848 283 HD23 LEU 36 2HD2 LEU 36 -2.678 -4.113 14.247 284 H TRP 37 HN TRP 37 2.153 -2.228 11.792 285 HA TRP 37 HA TRP 37 1.589 0.526 10.899 286 HB2 TRP 37 2HB TRP 37 4.096 -1.019 10.178 287 HB3 TRP 37 3HB TRP 37 3.750 0.676 9.889 288 HD1 TRP 37 1HD TRP 37 4.329 -1.646 12.946 289 HE1 TRP 37 1HE TRP 37 5.561 -0.285 14.748 290 HE3 TRP 37 3HE TRP 37 4.457 2.893 10.593 291 HZ2 TRP 37 2HZ TRP 37 6.480 2.358 15.119 292 HZ3 TRP 37 3HZ TRP 37 5.536 4.783 11.741 293 HH2 TRP 37 2HH TRP 37 6.526 4.521 13.957 294 H GLU 38 HN GLU 38 1.495 0.740 8.525 295 HA GLU 38 HA GLU 38 1.342 -1.715 6.994 296 HB2 GLU 38 2HB GLU 38 -0.916 -1.562 6.347 297 HB3 GLU 38 3HB GLU 38 -0.935 -1.316 8.084 298 HG2 GLU 38 2HG GLU 38 -1.163 0.818 5.971 299 HG3 GLU 38 3HG GLU 38 -2.465 0.199 6.983 300 H PHE 39 HN PHE 39 0.450 -1.004 4.653 301 HA PHE 39 HA PHE 39 2.146 1.230 3.843 302 HB2 PHE 39 2HB PHE 39 0.600 -0.796 2.208 303 HB3 PHE 39 3HB PHE 39 1.600 0.479 1.523 304 HD1 PHE 39 2HD PHE 39 4.023 0.427 1.827 305 HD2 PHE 39 1HD PHE 39 1.521 -2.764 3.069 306 HE1 PHE 39 2HE PHE 39 5.971 -1.049 1.935 307 HE2 PHE 39 1HE PHE 39 3.457 -4.253 3.174 308 HZ PHE 39 HZ PHE 39 5.700 -3.404 2.610 309 H ALA 40 HN ALA 40 1.382 3.184 3.361 310 HA ALA 40 HA ALA 40 -1.290 3.887 3.924 311 HB1 ALA 40 1HB ALA 40 0.567 5.460 4.174 312 HB2 ALA 40 2HB ALA 40 -0.697 6.112 3.130 313 HB3 ALA 40 3HB ALA 40 0.790 5.477 2.425 314 H GLY 41 HN GLY 41 -2.856 4.844 2.454 315 HA2 GLY 41 2HA GLY 41 -2.997 4.945 -0.214 316 HA3 GLY 41 3HA GLY 41 -3.091 3.209 0.068 317 H GLY 42 HN GLY 42 -5.169 2.641 -0.233 318 HA2 GLY 42 2HA GLY 42 -7.117 2.977 1.599 319 HA3 GLY 42 3HA GLY 42 -7.294 4.419 0.615 320 H LYS 43 HN LYS 43 -9.437 3.057 0.677 321 HA LYS 43 HA LYS 43 -9.594 1.000 -1.333 322 HB2 LYS 43 2HB LYS 43 -11.113 0.729 0.440 323 HB3 LYS 43 3HB LYS 43 -11.580 2.422 0.426 324 HG2 LYS 43 2HG LYS 43 -12.858 2.102 -1.580 325 HG3 LYS 43 3HG LYS 43 -12.261 0.448 -1.743 326 HD2 LYS 43 2HD LYS 43 -13.425 -0.245 0.221 327 HD3 LYS 43 3HD LYS 43 -13.841 1.420 0.634 328 HE2 LYS 43 2HE LYS 43 -14.762 0.087 -1.902 329 HE3 LYS 43 3HE LYS 43 -15.681 0.018 -0.398 330 HZ1 LYS 43 3HZ LYS 43 -15.904 2.382 -0.403 331 HZ2 LYS 43 1HZ LYS 43 -16.387 1.810 -1.925 332 HZ3 LYS 43 2HZ LYS 43 -14.876 2.544 -1.737 333 H VAL 44 HN VAL 44 -10.836 1.180 -3.290 334 HA VAL 44 HA VAL 44 -10.534 3.845 -4.485 335 HB VAL 44 HB VAL 44 -10.910 1.170 -5.854 336 HG11 VAL 44 1HG1 VAL 44 -10.176 3.865 -6.984 337 HG12 VAL 44 2HG1 VAL 44 -11.719 3.034 -7.190 338 HG13 VAL 44 3HG1 VAL 44 -10.249 2.352 -7.888 339 HG21 VAL 44 3HG2 VAL 44 -8.774 1.237 -4.712 340 HG22 VAL 44 1HG2 VAL 44 -8.404 2.797 -5.445 341 HG23 VAL 44 2HG2 VAL 44 -8.533 1.358 -6.456 342 H GLU 45 HN GLU 45 -12.298 4.995 -4.965 343 HA GLU 45 HA GLU 45 -14.907 3.654 -4.902 344 HB2 GLU 45 2HB GLU 45 -14.168 5.913 -3.651 345 HB3 GLU 45 3HB GLU 45 -14.666 6.609 -5.187 346 HG2 GLU 45 2HG GLU 45 -16.483 6.651 -3.588 347 HG3 GLU 45 3HG GLU 45 -16.869 5.589 -4.943 348 HA PRO 46 HA PRO 46 -15.263 3.584 -9.313 349 HB2 PRO 46 2HB PRO 46 -17.893 4.514 -9.547 350 HB3 PRO 46 3HB PRO 46 -17.398 2.831 -9.334 351 HG2 PRO 46 2HG PRO 46 -18.339 4.806 -7.303 352 HG3 PRO 46 3HG PRO 46 -18.666 3.065 -7.416 353 HD2 PRO 46 2HD PRO 46 -16.914 4.014 -5.646 354 HD3 PRO 46 3HD PRO 46 -16.593 2.497 -6.513 355 H ASP 47 HN ASP 47 -15.954 6.480 -7.535 356 HA ASP 47 HA ASP 47 -16.211 8.221 -9.763 357 HB2 ASP 47 2HB ASP 47 -15.499 8.837 -6.895 358 HB3 ASP 47 3HB ASP 47 -15.877 10.049 -8.114 359 H GLU 48 HN GLU 48 -13.522 6.774 -8.259 360 HA GLU 48 HA GLU 48 -11.726 8.659 -9.620 361 HB2 GLU 48 2HB GLU 48 -10.153 8.409 -7.746 362 HB3 GLU 48 3HB GLU 48 -11.683 9.099 -7.225 363 HG2 GLU 48 2HG GLU 48 -12.325 6.716 -6.568 364 HG3 GLU 48 3HG GLU 48 -10.610 6.346 -6.743 365 H SER 49 HN SER 49 -9.777 7.785 -10.406 366 HA SER 49 HA SER 49 -9.969 5.004 -11.130 367 HB2 SER 49 2HB SER 49 -9.259 6.767 -12.749 368 HB3 SER 49 3HB SER 49 -7.785 6.984 -11.803 369 HG SER 49 HG SER 49 -7.784 5.487 -13.718 370 H GLN 50 HN GLN 50 -7.832 3.710 -11.076 371 HA GLN 50 HA GLN 50 -7.365 3.076 -8.392 372 HB2 GLN 50 2HB GLN 50 -5.870 2.312 -10.897 373 HB3 GLN 50 3HB GLN 50 -5.510 1.634 -9.315 374 HG2 GLN 50 2HG GLN 50 -7.652 0.618 -9.170 375 HG3 GLN 50 3HG GLN 50 -8.224 1.483 -10.593 376 HE21 GLN 50 1HE2 GLN 50 -8.176 -1.375 -10.089 377 HE22 GLN 50 2HE2 GLN 50 -7.211 -2.063 -11.355 378 H ARG 51 HN ARG 51 -5.149 4.684 -10.707 379 HA ARG 51 HA ARG 51 -3.151 5.101 -8.690 380 HB2 ARG 51 2HB ARG 51 -3.411 6.590 -11.303 381 HB3 ARG 51 3HB ARG 51 -1.965 6.396 -10.329 382 HG2 ARG 51 2HG ARG 51 -1.972 3.992 -10.813 383 HG3 ARG 51 3HG ARG 51 -3.396 4.218 -11.832 384 HD2 ARG 51 2HD ARG 51 -2.041 5.880 -13.158 385 HD3 ARG 51 3HD ARG 51 -0.632 5.344 -12.244 386 HE ARG 51 HE ARG 51 -2.174 3.301 -13.642 387 HH11 ARG 51 1HH1 ARG 51 0.687 5.324 -13.516 388 HH12 ARG 51 2HH1 ARG 51 1.537 4.432 -14.740 389 HH21 ARG 51 1HH2 ARG 51 -1.071 2.123 -15.265 390 HH22 ARG 51 2HH2 ARG 51 0.528 2.620 -15.754 391 H GLN 52 HN GLN 52 -5.896 6.831 -9.903 392 HA GLN 52 HA GLN 52 -5.235 9.415 -8.955 393 HB2 GLN 52 2HB GLN 52 -6.943 9.149 -10.635 394 HB3 GLN 52 3HB GLN 52 -7.880 8.095 -9.588 395 HG2 GLN 52 2HG GLN 52 -8.328 9.950 -8.092 396 HG3 GLN 52 3HG GLN 52 -7.351 11.015 -9.102 397 HE21 GLN 52 1HE2 GLN 52 -10.171 11.214 -8.363 398 HE22 GLN 52 2HE2 GLN 52 -11.046 11.246 -9.858 399 H ALA 53 HN ALA 53 -6.912 6.653 -7.599 400 HA ALA 53 HA ALA 53 -7.870 7.782 -5.238 401 HB1 ALA 53 1HB ALA 53 -7.930 5.497 -4.368 402 HB2 ALA 53 2HB ALA 53 -6.912 4.958 -5.704 403 HB3 ALA 53 3HB ALA 53 -8.538 5.568 -6.022 404 H LEU 54 HN LEU 54 -4.770 6.086 -5.835 405 HA LEU 54 HA LEU 54 -3.768 6.366 -3.237 406 HB2 LEU 54 2HB LEU 54 -2.461 5.983 -5.910 407 HB3 LEU 54 3HB LEU 54 -1.494 6.206 -4.463 408 HG LEU 54 HG LEU 54 -3.459 3.976 -4.971 409 HD11 LEU 54 1HD1 LEU 54 -0.454 4.022 -4.749 410 HD12 LEU 54 2HD1 LEU 54 -1.395 3.723 -6.210 411 HD13 LEU 54 3HD1 LEU 54 -1.447 2.569 -4.877 412 HD21 LEU 54 3HD2 LEU 54 -3.534 4.575 -2.645 413 HD22 LEU 54 1HD2 LEU 54 -1.776 4.624 -2.559 414 HD23 LEU 54 2HD2 LEU 54 -2.600 3.090 -2.819 415 H VAL 55 HN VAL 55 -3.373 8.398 -6.100 416 HA VAL 55 HA VAL 55 -1.531 10.198 -5.006 417 HB VAL 55 HB VAL 55 -3.585 10.652 -7.180 418 HG11 VAL 55 1HG1 VAL 55 -2.852 12.778 -6.188 419 HG12 VAL 55 2HG1 VAL 55 -2.251 12.585 -7.835 420 HG13 VAL 55 3HG1 VAL 55 -1.171 12.322 -6.467 421 HG21 VAL 55 3HG2 VAL 55 -2.002 8.906 -7.724 422 HG22 VAL 55 1HG2 VAL 55 -0.654 9.946 -7.274 423 HG23 VAL 55 2HG2 VAL 55 -1.644 10.344 -8.676 424 H ARG 56 HN ARG 56 -5.090 10.313 -5.095 425 HA ARG 56 HA ARG 56 -5.136 12.853 -3.787 426 HB2 ARG 56 2HB ARG 56 -7.511 12.721 -3.831 427 HB3 ARG 56 3HB ARG 56 -6.914 12.097 -5.354 428 HG2 ARG 56 2HG ARG 56 -8.517 10.552 -4.926 429 HG3 ARG 56 3HG ARG 56 -7.169 9.784 -4.087 430 HD2 ARG 56 2HD ARG 56 -7.939 10.507 -1.977 431 HD3 ARG 56 3HD ARG 56 -9.069 11.653 -2.696 432 HE ARG 56 HE ARG 56 -9.735 9.062 -3.561 433 HH11 ARG 56 1HH1 ARG 56 -9.718 10.966 -0.608 434 HH12 ARG 56 2HH1 ARG 56 -11.108 10.160 0.059 435 HH21 ARG 56 1HH2 ARG 56 -11.556 8.019 -2.695 436 HH22 ARG 56 2HH2 ARG 56 -12.140 8.476 -1.118 437 H GLU 57 HN GLU 57 -5.630 9.505 -2.691 438 HA GLU 57 HA GLU 57 -6.310 10.095 -0.045 439 HB2 GLU 57 2HB GLU 57 -4.904 7.726 -1.260 440 HB3 GLU 57 3HB GLU 57 -5.281 7.804 0.454 441 HG2 GLU 57 2HG GLU 57 -7.333 8.055 -1.733 442 HG3 GLU 57 3HG GLU 57 -6.927 6.540 -0.928 443 H LEU 58 HN LEU 58 -3.081 9.589 -1.473 444 HA LEU 58 HA LEU 58 -1.698 9.945 0.981 445 HB2 LEU 58 2HB LEU 58 -0.610 10.532 -1.759 446 HB3 LEU 58 3HB LEU 58 0.312 10.195 -0.312 447 HG LEU 58 HG LEU 58 -1.366 8.263 -1.892 448 HD11 LEU 58 1HD1 LEU 58 0.838 8.743 -2.804 449 HD12 LEU 58 2HD1 LEU 58 0.738 7.091 -2.195 450 HD13 LEU 58 3HD1 LEU 58 1.573 8.328 -1.256 451 HD21 LEU 58 3HD2 LEU 58 -1.700 7.823 0.474 452 HD22 LEU 58 1HD2 LEU 58 0.047 7.808 0.729 453 HD23 LEU 58 2HD2 LEU 58 -0.711 6.562 -0.265 454 H ARG 59 HN ARG 59 -2.754 12.158 -1.538 455 HA ARG 59 HA ARG 59 -1.562 14.487 -0.610 456 HB2 ARG 59 2HB ARG 59 -2.631 14.463 -2.735 457 HB3 ARG 59 3HB ARG 59 -4.168 13.985 -2.036 458 HG2 ARG 59 2HG ARG 59 -4.501 16.140 -1.091 459 HG3 ARG 59 3HG ARG 59 -2.854 16.634 -1.496 460 HD2 ARG 59 2HD ARG 59 -3.318 16.642 -3.810 461 HD3 ARG 59 3HD ARG 59 -4.835 15.776 -3.588 462 HE ARG 59 HE ARG 59 -5.556 17.898 -2.368 463 HH11 ARG 59 1HH1 ARG 59 -3.188 17.911 -4.967 464 HH12 ARG 59 2HH1 ARG 59 -3.701 19.459 -5.576 465 HH21 ARG 59 1HH2 ARG 59 -6.195 19.936 -3.172 466 HH22 ARG 59 2HH2 ARG 59 -5.390 20.606 -4.561 467 H GLU 60 HN GLU 60 -4.429 12.803 0.540 468 HA GLU 60 HA GLU 60 -5.138 14.995 2.297 469 HB2 GLU 60 2HB GLU 60 -6.383 12.249 2.081 470 HB3 GLU 60 3HB GLU 60 -7.059 13.641 2.918 471 HG2 GLU 60 2HG GLU 60 -7.009 14.825 0.673 472 HG3 GLU 60 3HG GLU 60 -6.688 13.247 -0.030 473 H GLU 61 HN GLU 61 -3.715 11.767 2.581 474 HA GLU 61 HA GLU 61 -3.613 12.023 5.481 475 HB2 GLU 61 2HB GLU 61 -2.744 9.848 3.590 476 HB3 GLU 61 3HB GLU 61 -2.345 9.825 5.303 477 HG2 GLU 61 2HG GLU 61 -5.099 10.294 5.148 478 HG3 GLU 61 3HG GLU 61 -4.725 8.985 4.018 479 H LEU 62 HN LEU 62 -1.290 11.739 2.795 480 HA LEU 62 HA LEU 62 0.884 12.203 4.700 481 HB2 LEU 62 2HB LEU 62 1.087 11.408 1.797 482 HB3 LEU 62 3HB LEU 62 2.355 11.348 3.004 483 HG LEU 62 HG LEU 62 -0.109 9.599 2.933 484 HD11 LEU 62 1HD1 LEU 62 2.796 8.985 2.408 485 HD12 LEU 62 2HD1 LEU 62 1.509 9.044 1.205 486 HD13 LEU 62 3HD1 LEU 62 1.487 7.805 2.461 487 HD21 LEU 62 3HD2 LEU 62 0.940 8.392 4.786 488 HD22 LEU 62 1HD2 LEU 62 0.585 10.062 5.227 489 HD23 LEU 62 2HD2 LEU 62 2.238 9.586 4.833 490 H GLY 63 HN GLY 63 -1.057 14.164 3.095 491 HA2 GLY 63 2HA GLY 63 -0.932 16.081 1.839 492 HA3 GLY 63 3HA GLY 63 0.345 16.440 2.983 493 H ILE 64 HN ILE 64 0.475 13.983 0.401 494 HA ILE 64 HA ILE 64 2.412 15.720 -0.968 495 HB ILE 64 HB ILE 64 3.798 13.778 -1.550 496 HG12 ILE 64 2HG1 ILE 64 2.096 12.270 0.449 497 HG13 ILE 64 3HG1 ILE 64 2.091 12.027 -1.294 498 HG21 ILE 64 1HG2 ILE 64 4.879 13.499 0.631 499 HG22 ILE 64 2HG2 ILE 64 3.471 14.235 1.401 500 HG23 ILE 64 3HG2 ILE 64 4.463 15.179 0.290 501 HD11 ILE 64 3HD1 ILE 64 3.400 10.312 -0.161 502 HD12 ILE 64 1HD1 ILE 64 4.438 11.556 0.540 503 HD13 ILE 64 2HD1 ILE 64 4.420 11.304 -1.206 504 H GLU 65 HN GLU 65 2.463 15.672 -3.128 505 HA GLU 65 HA GLU 65 0.274 14.342 -4.511 506 HB2 GLU 65 2HB GLU 65 2.413 16.093 -5.724 507 HB3 GLU 65 3HB GLU 65 0.816 15.741 -6.366 508 HG2 GLU 65 2HG GLU 65 1.353 17.312 -3.858 509 HG3 GLU 65 3HG GLU 65 1.028 18.018 -5.442 510 H ALA 66 HN ALA 66 0.815 12.207 -4.590 511 HA ALA 66 HA ALA 66 3.516 11.390 -5.224 512 HB1 ALA 66 1HB ALA 66 2.234 10.195 -3.514 513 HB2 ALA 66 2HB ALA 66 2.713 9.127 -4.834 514 HB3 ALA 66 3HB ALA 66 1.054 9.719 -4.737 515 H THR 67 HN THR 67 4.040 9.933 -6.932 516 HA THR 67 HA THR 67 2.213 10.100 -9.231 517 HB THR 67 HB THR 67 5.237 9.986 -9.321 518 HG1 THR 67 1HG THR 67 3.507 12.054 -8.985 519 HG21 THR 67 3HG2 THR 67 3.196 10.429 -11.508 520 HG22 THR 67 1HG2 THR 67 4.151 8.966 -11.274 521 HG23 THR 67 2HG2 THR 67 4.948 10.478 -11.706 522 H VAL 68 HN VAL 68 1.245 8.177 -9.249 523 HA VAL 68 HA VAL 68 2.570 5.733 -8.531 524 HB VAL 68 HB VAL 68 -0.079 6.085 -9.945 525 HG11 VAL 68 1HG1 VAL 68 1.070 3.743 -8.430 526 HG12 VAL 68 2HG1 VAL 68 0.811 3.837 -10.172 527 HG13 VAL 68 3HG1 VAL 68 -0.569 3.839 -9.073 528 HG21 VAL 68 3HG2 VAL 68 -0.080 7.262 -7.816 529 HG22 VAL 68 1HG2 VAL 68 0.517 5.817 -7.001 530 HG23 VAL 68 2HG2 VAL 68 -1.092 5.819 -7.724 531 H GLY 69 HN GLY 69 3.902 4.594 -9.857 532 HA2 GLY 69 2HA GLY 69 3.449 4.491 -12.690 533 HA3 GLY 69 3HA GLY 69 4.778 5.541 -12.258 534 H GLU 70 HN GLU 70 3.617 2.248 -11.408 535 HA GLU 70 HA GLU 70 5.264 0.653 -12.651 536 HB2 GLU 70 2HB GLU 70 7.231 0.141 -11.364 537 HB3 GLU 70 3HB GLU 70 7.258 1.842 -11.794 538 HG2 GLU 70 2HG GLU 70 6.591 2.456 -9.566 539 HG3 GLU 70 3HG GLU 70 6.429 0.754 -9.120 540 H TYR 71 HN TYR 71 5.260 -1.487 -11.882 541 HA TYR 71 HA TYR 71 3.118 -1.860 -9.890 542 HB2 TYR 71 2HB TYR 71 3.183 -2.694 -12.486 543 HB3 TYR 71 3HB TYR 71 3.782 -4.125 -11.654 544 HD1 TYR 71 1HD TYR 71 2.281 -4.339 -9.244 545 HD2 TYR 71 2HD TYR 71 0.968 -2.955 -13.047 546 HE1 TYR 71 1HE TYR 71 -0.030 -4.944 -8.661 547 HE2 TYR 71 2HE TYR 71 -1.344 -3.559 -12.475 548 HH TYR 71 HH TYR 71 -2.446 -5.271 -10.874 549 H VAL 72 HN VAL 72 3.644 -2.785 -7.990 550 HA VAL 72 HA VAL 72 6.063 -4.422 -7.845 551 HB VAL 72 HB VAL 72 4.203 -3.514 -5.645 552 HG11 VAL 72 1HG1 VAL 72 5.925 -4.309 -4.104 553 HG12 VAL 72 2HG1 VAL 72 6.869 -4.918 -5.464 554 HG13 VAL 72 3HG1 VAL 72 5.297 -5.633 -5.090 555 HG21 VAL 72 3HG2 VAL 72 6.948 -2.541 -6.433 556 HG22 VAL 72 1HG2 VAL 72 6.030 -2.001 -5.027 557 HG23 VAL 72 2HG2 VAL 72 5.431 -1.669 -6.653 558 H ALA 73 HN ALA 73 2.841 -4.776 -6.332 559 HA ALA 73 HA ALA 73 2.394 -7.329 -7.591 560 HB1 ALA 73 1HB ALA 73 3.008 -7.302 -4.638 561 HB2 ALA 73 2HB ALA 73 4.048 -7.964 -5.899 562 HB3 ALA 73 3HB ALA 73 2.474 -8.694 -5.581 563 H SER 74 HN SER 74 0.402 -8.371 -6.831 564 HA SER 74 HA SER 74 -1.375 -6.584 -5.318 565 HB2 SER 74 2HB SER 74 -2.044 -8.099 -7.850 566 HB3 SER 74 3HB SER 74 -3.250 -7.355 -6.803 567 HG SER 74 HG SER 74 -1.429 -6.178 -8.544 568 H HIS 75 HN HIS 75 -2.857 -7.615 -3.959 569 HA HIS 75 HA HIS 75 -2.620 -10.542 -3.781 570 HB2 HIS 75 2HB HIS 75 -1.179 -9.494 -2.047 571 HB3 HIS 75 3HB HIS 75 -2.596 -8.674 -1.400 572 HD1 HIS 75 1HD HIS 75 -3.640 -9.857 0.505 573 HD2 HIS 75 2HD HIS 75 -1.679 -12.476 -2.049 574 HE1 HIS 75 1HE HIS 75 -3.921 -12.134 1.531 575 HE2 HIS 75 2HE HIS 75 -2.981 -13.712 -0.194 576 H GLN 76 HN GLN 76 -4.489 -11.611 -3.308 577 HA GLN 76 HA GLN 76 -6.884 -9.944 -2.925 578 HB2 GLN 76 2HB GLN 76 -6.492 -12.611 -4.248 579 HB3 GLN 76 3HB GLN 76 -8.079 -12.092 -3.694 580 HG2 GLN 76 2HG GLN 76 -7.924 -10.118 -5.106 581 HG3 GLN 76 3HG GLN 76 -6.345 -10.652 -5.685 582 HE21 GLN 76 1HE2 GLN 76 -6.227 -12.520 -6.984 583 HE22 GLN 76 2HE2 GLN 76 -7.611 -13.098 -7.863 584 H ARG 77 HN ARG 77 -8.339 -10.412 -1.389 585 HA ARG 77 HA ARG 77 -8.276 -12.856 0.125 586 HB2 ARG 77 2HB ARG 77 -7.948 -11.893 2.310 587 HB3 ARG 77 3HB ARG 77 -6.574 -11.434 1.317 588 HG2 ARG 77 2HG ARG 77 -7.516 -9.219 1.002 589 HG3 ARG 77 3HG ARG 77 -8.938 -9.678 1.944 590 HD2 ARG 77 2HD ARG 77 -7.388 -10.173 3.854 591 HD3 ARG 77 3HD ARG 77 -6.094 -9.453 2.900 592 HE ARG 77 HE ARG 77 -7.492 -7.379 2.925 593 HH11 ARG 77 1HH1 ARG 77 -7.869 -9.802 5.413 594 HH12 ARG 77 2HH1 ARG 77 -8.326 -8.664 6.646 595 HH21 ARG 77 1HH2 ARG 77 -8.146 -5.869 4.535 596 HH22 ARG 77 2HH2 ARG 77 -8.549 -6.436 6.127 597 H GLU 78 HN GLU 78 -10.194 -12.597 1.884 598 HA GLU 78 HA GLU 78 -12.191 -10.903 0.543 599 HB2 GLU 78 2HB GLU 78 -13.896 -12.486 0.872 600 HB3 GLU 78 3HB GLU 78 -12.520 -13.405 0.283 601 HG2 GLU 78 2HG GLU 78 -12.069 -14.278 2.428 602 HG3 GLU 78 3HG GLU 78 -13.188 -13.153 3.194 603 H VAL 79 HN VAL 79 -13.768 -9.933 1.746 604 HA VAL 79 HA VAL 79 -13.431 -9.957 4.649 605 HB VAL 79 HB VAL 79 -12.531 -7.841 3.986 606 HG11 VAL 79 1HG1 VAL 79 -13.484 -7.666 1.757 607 HG12 VAL 79 2HG1 VAL 79 -13.783 -6.197 2.685 608 HG13 VAL 79 3HG1 VAL 79 -15.079 -7.371 2.451 609 HG21 VAL 79 3HG2 VAL 79 -15.336 -7.487 5.024 610 HG22 VAL 79 1HG2 VAL 79 -14.050 -6.284 5.119 611 HG23 VAL 79 2HG2 VAL 79 -13.896 -7.811 5.990 612 H SER 80 HN SER 80 -15.098 -11.337 5.008 613 HA SER 80 HA SER 80 -17.199 -12.161 5.169 614 HB2 SER 80 2HB SER 80 -17.983 -9.243 5.007 615 HB3 SER 80 3HB SER 80 -18.936 -10.551 5.716 616 HG SER 80 HG SER 80 -17.934 -9.927 7.476 617 H GLY 81 HN GLY 81 -16.676 -12.949 2.874 618 HA2 GLY 81 2HA GLY 81 -17.594 -13.609 0.888 619 HA3 GLY 81 3HA GLY 81 -19.056 -12.760 1.356 620 H ARG 82 HN ARG 82 -16.226 -10.838 1.272 621 HA ARG 82 HA ARG 82 -16.846 -9.927 -1.462 622 HB2 ARG 82 2HB ARG 82 -16.042 -8.122 0.830 623 HB3 ARG 82 3HB ARG 82 -16.492 -7.627 -0.796 624 HG2 ARG 82 2HG ARG 82 -18.760 -8.417 -0.422 625 HG3 ARG 82 3HG ARG 82 -18.312 -8.957 1.197 626 HD2 ARG 82 2HD ARG 82 -17.667 -6.580 1.690 627 HD3 ARG 82 3HD ARG 82 -18.399 -6.142 0.145 628 HE ARG 82 HE ARG 82 -20.247 -7.637 1.632 629 HH11 ARG 82 1HH1 ARG 82 -18.749 -4.472 1.631 630 HH12 ARG 82 2HH1 ARG 82 -20.041 -3.725 2.525 631 HH21 ARG 82 1HH2 ARG 82 -21.932 -6.677 2.804 632 HH22 ARG 82 2HH2 ARG 82 -21.850 -4.985 3.207 633 H ILE 83 HN ILE 83 -15.075 -9.638 -2.758 634 HA ILE 83 HA ILE 83 -12.582 -10.631 -1.585 635 HB ILE 83 HB ILE 83 -13.638 -10.598 -4.395 636 HG12 ILE 83 2HG1 ILE 83 -12.989 -12.977 -4.309 637 HG13 ILE 83 3HG1 ILE 83 -12.349 -12.743 -2.687 638 HG21 ILE 83 1HG2 ILE 83 -11.422 -11.371 -5.194 639 HG22 ILE 83 2HG2 ILE 83 -10.744 -10.960 -3.616 640 HG23 ILE 83 3HG2 ILE 83 -11.417 -9.694 -4.645 641 HD11 ILE 83 3HD1 ILE 83 -14.553 -12.317 -1.834 642 HD12 ILE 83 1HD1 ILE 83 -14.551 -13.834 -2.731 643 HD13 ILE 83 2HD1 ILE 83 -15.230 -12.380 -3.458 644 H ILE 84 HN ILE 84 -11.173 -9.206 -0.971 645 HA ILE 84 HA ILE 84 -11.122 -6.556 -2.155 646 HB ILE 84 HB ILE 84 -8.993 -6.956 -0.270 647 HG12 ILE 84 2HG1 ILE 84 -11.680 -8.029 0.502 648 HG13 ILE 84 3HG1 ILE 84 -10.075 -8.624 0.925 649 HG21 ILE 84 1HG2 ILE 84 -10.123 -4.835 -0.921 650 HG22 ILE 84 2HG2 ILE 84 -9.982 -5.087 0.819 651 HG23 ILE 84 3HG2 ILE 84 -11.527 -5.367 0.015 652 HD11 ILE 84 3HD1 ILE 84 -9.764 -6.715 2.419 653 HD12 ILE 84 1HD1 ILE 84 -11.189 -7.663 2.854 654 HD13 ILE 84 2HD1 ILE 84 -11.383 -6.125 1.990 655 H HIS 85 HN HIS 85 -9.652 -5.832 -3.491 656 HA HIS 85 HA HIS 85 -7.496 -7.661 -4.326 657 HB2 HIS 85 2HB HIS 85 -9.478 -7.235 -5.909 658 HB3 HIS 85 3HB HIS 85 -8.865 -5.597 -6.054 659 HD1 HIS 85 1HD HIS 85 -8.207 -5.668 -8.456 660 HD2 HIS 85 2HD HIS 85 -6.546 -8.774 -6.242 661 HE1 HIS 85 1HE HIS 85 -6.597 -6.836 -10.011 662 HE2 HIS 85 2HE HIS 85 -5.762 -8.831 -8.710 663 H LEU 86 HN LEU 86 -5.820 -6.799 -3.163 664 HA LEU 86 HA LEU 86 -5.505 -3.910 -3.037 665 HB2 LEU 86 2HB LEU 86 -4.132 -6.208 -1.687 666 HB3 LEU 86 3HB LEU 86 -3.420 -4.609 -1.656 667 HG LEU 86 HG LEU 86 -5.782 -3.901 -0.750 668 HD11 LEU 86 1HD1 LEU 86 -6.852 -6.062 -1.052 669 HD12 LEU 86 2HD1 LEU 86 -6.797 -5.620 0.655 670 HD13 LEU 86 3HD1 LEU 86 -5.665 -6.813 0.015 671 HD21 LEU 86 3HD2 LEU 86 -3.727 -3.613 0.473 672 HD22 LEU 86 1HD2 LEU 86 -3.698 -5.327 0.889 673 HD23 LEU 86 2HD2 LEU 86 -4.960 -4.285 1.542 674 H HIS 87 HN HIS 87 -4.196 -2.756 -4.242 675 HA HIS 87 HA HIS 87 -2.253 -4.160 -5.969 676 HB2 HIS 87 2HB HIS 87 -3.452 -1.398 -6.333 677 HB3 HIS 87 3HB HIS 87 -2.361 -2.209 -7.446 678 HD1 HIS 87 1HD HIS 87 -3.363 -3.905 -9.065 679 HD2 HIS 87 2HD HIS 87 -6.107 -2.357 -6.340 680 HE1 HIS 87 1HE HIS 87 -5.635 -4.549 -9.939 681 HE2 HIS 87 2HE HIS 87 -7.289 -3.603 -8.276 682 H ALA 88 HN ALA 88 -0.257 -4.043 -5.127 683 HA ALA 88 HA ALA 88 0.509 -1.687 -3.574 684 HB1 ALA 88 1HB ALA 88 2.537 -2.944 -3.021 685 HB2 ALA 88 2HB ALA 88 2.004 -4.258 -4.069 686 HB3 ALA 88 3HB ALA 88 1.076 -3.848 -2.626 687 H TRP 89 HN TRP 89 1.079 -0.031 -4.794 688 HA TRP 89 HA TRP 89 2.923 -0.523 -7.029 689 HB2 TRP 89 2HB TRP 89 0.945 1.706 -6.556 690 HB3 TRP 89 3HB TRP 89 2.224 1.818 -7.760 691 HD1 TRP 89 1HD TRP 89 2.134 -0.886 -9.185 692 HE1 TRP 89 1HE TRP 89 0.090 -1.631 -10.552 693 HE3 TRP 89 3HE TRP 89 -1.408 2.101 -7.037 694 HZ2 TRP 89 2HZ TRP 89 -2.666 -1.037 -10.699 695 HZ3 TRP 89 3HZ TRP 89 -3.721 1.953 -7.848 696 HH2 TRP 89 2HH TRP 89 -4.338 0.419 -9.643 697 H HIS 90 HN HIS 90 4.697 0.858 -7.285 698 HA HIS 90 HA HIS 90 5.718 1.854 -4.723 699 HB2 HIS 90 2HB HIS 90 7.187 0.276 -5.819 700 HB3 HIS 90 3HB HIS 90 7.114 1.179 -7.326 701 HD1 HIS 90 1HD HIS 90 8.929 2.843 -7.707 702 HD2 HIS 90 2HD HIS 90 8.643 1.709 -3.717 703 HE1 HIS 90 1HE HIS 90 10.887 3.915 -6.555 704 HE2 HIS 90 2HE HIS 90 10.853 2.961 -4.231 705 H VAL 91 HN VAL 91 5.942 3.959 -4.337 706 HA VAL 91 HA VAL 91 5.341 5.849 -6.471 707 HB VAL 91 HB VAL 91 5.861 6.359 -3.532 708 HG11 VAL 91 1HG1 VAL 91 6.305 8.320 -4.906 709 HG12 VAL 91 2HG1 VAL 91 4.835 8.549 -3.957 710 HG13 VAL 91 3HG1 VAL 91 4.725 8.158 -5.675 711 HG21 VAL 91 3HG2 VAL 91 3.436 6.605 -3.335 712 HG22 VAL 91 1HG2 VAL 91 3.872 4.986 -3.880 713 HG23 VAL 91 2HG2 VAL 91 3.250 6.166 -5.034 714 HA PRO 92 HA PRO 92 9.829 6.147 -6.932 715 HB2 PRO 92 2HB PRO 92 9.773 7.258 -9.396 716 HB3 PRO 92 3HB PRO 92 9.515 5.532 -9.129 717 HG2 PRO 92 2HG PRO 92 7.508 7.697 -9.618 718 HG3 PRO 92 3HG PRO 92 7.543 6.041 -10.258 719 HD2 PRO 92 2HD PRO 92 5.986 6.821 -8.155 720 HD3 PRO 92 3HD PRO 92 6.581 5.166 -8.381 721 H ASP 93 HN ASP 93 7.416 8.667 -7.247 722 HA ASP 93 HA ASP 93 9.268 10.630 -6.191 723 HB2 ASP 93 2HB ASP 93 9.533 10.612 -8.730 724 HB3 ASP 93 3HB ASP 93 7.881 11.215 -8.811 725 H PHE 94 HN PHE 94 8.240 12.270 -5.105 726 HA PHE 94 HA PHE 94 5.373 12.635 -5.442 727 HB2 PHE 94 2HB PHE 94 4.982 12.472 -2.987 728 HB3 PHE 94 3HB PHE 94 5.439 10.939 -3.718 729 HD1 PHE 94 1HD PHE 94 7.614 9.942 -3.254 730 HD2 PHE 94 2HD PHE 94 6.425 13.593 -1.420 731 HE1 PHE 94 1HE PHE 94 9.425 9.700 -1.607 732 HE2 PHE 94 2HE PHE 94 8.238 13.359 0.225 733 HZ PHE 94 HZ PHE 94 9.742 11.413 0.135 734 H HIS 95 HN HIS 95 4.663 14.676 -4.935 735 HA HIS 95 HA HIS 95 6.770 16.626 -4.319 736 HB2 HIS 95 2HB HIS 95 5.573 16.931 -6.446 737 HB3 HIS 95 3HB HIS 95 4.044 17.005 -5.583 738 HD1 HIS 95 1HD HIS 95 7.221 18.973 -6.115 739 HD2 HIS 95 2HD HIS 95 3.392 19.482 -4.558 740 HE1 HIS 95 1HE HIS 95 6.978 21.440 -5.695 741 HE2 HIS 95 2HE HIS 95 4.750 21.688 -4.544 742 H GLY 96 HN GLY 96 6.827 17.477 -2.341 743 HA2 GLY 96 2HA GLY 96 5.425 18.931 -0.833 744 HA3 GLY 96 3HA GLY 96 4.307 17.572 -0.793 745 H THR 97 HN THR 97 4.697 17.854 1.591 746 HA THR 97 HA THR 97 7.091 16.320 2.350 747 HB THR 97 HB THR 97 5.604 18.262 4.135 748 HG1 THR 97 1HG THR 97 6.855 19.193 2.294 749 HG21 THR 97 3HG2 THR 97 6.764 16.425 5.291 750 HG22 THR 97 1HG2 THR 97 7.540 17.979 5.605 751 HG23 THR 97 2HG2 THR 97 8.260 16.848 4.458 752 H LEU 98 HN LEU 98 6.663 14.411 3.103 753 HA LEU 98 HA LEU 98 3.953 13.537 3.261 754 HB2 LEU 98 2HB LEU 98 4.882 11.305 3.724 755 HB3 LEU 98 3HB LEU 98 5.503 12.040 2.264 756 HG LEU 98 HG LEU 98 7.053 12.049 4.851 757 HD11 LEU 98 1HD1 LEU 98 7.119 10.047 2.603 758 HD12 LEU 98 2HD1 LEU 98 6.565 9.748 4.252 759 HD13 LEU 98 3HD1 LEU 98 8.262 10.123 3.944 760 HD21 LEU 98 3HD2 LEU 98 8.130 13.557 3.485 761 HD22 LEU 98 1HD2 LEU 98 7.605 12.747 2.003 762 HD23 LEU 98 2HD2 LEU 98 8.904 12.059 2.979 763 H GLN 99 HN GLN 99 2.701 13.559 4.895 764 HA GLN 99 HA GLN 99 3.822 13.675 7.615 765 HB2 GLN 99 2HB GLN 99 2.050 15.241 8.205 766 HB3 GLN 99 3HB GLN 99 2.964 15.871 6.834 767 HG2 GLN 99 2HG GLN 99 1.224 15.142 5.310 768 HG3 GLN 99 3HG GLN 99 0.315 14.448 6.650 769 HE21 GLN 99 1HE2 GLN 99 -1.470 15.731 6.227 770 HE22 GLN 99 2HE2 GLN 99 -1.503 17.422 6.578 771 H ALA 100 HN ALA 100 2.093 13.038 9.278 772 HA ALA 100 HA ALA 100 0.447 10.863 8.152 773 HB1 ALA 100 1HB ALA 100 1.584 11.059 10.941 774 HB2 ALA 100 2HB ALA 100 2.258 10.089 9.630 775 HB3 ALA 100 3HB ALA 100 0.663 9.710 10.275 776 H HIS 101 HN HIS 101 -1.565 11.652 7.928 777 HA HIS 101 HA HIS 101 -2.605 13.531 9.890 778 HB2 HIS 101 2HB HIS 101 -2.954 13.949 7.468 779 HB3 HIS 101 3HB HIS 101 -3.917 12.480 7.375 780 HD1 HIS 101 1HD HIS 101 -3.976 15.862 9.114 781 HD2 HIS 101 2HD HIS 101 -6.552 12.816 7.942 782 HE1 HIS 101 1HE HIS 101 -6.294 16.707 9.596 783 HE2 HIS 101 2HE HIS 101 -7.834 14.917 8.720 784 H GLU 102 HN GLU 102 -4.056 10.666 8.310 785 HA GLU 102 HA GLU 102 -5.823 10.283 10.544 786 HB2 GLU 102 2HB GLU 102 -5.337 8.818 7.959 787 HB3 GLU 102 3HB GLU 102 -6.397 8.150 9.203 788 HG2 GLU 102 2HG GLU 102 -6.724 10.769 7.757 789 HG3 GLU 102 3HG GLU 102 -7.717 9.321 7.579 790 H HIS 103 HN HIS 103 -2.945 8.775 9.238 791 HA HIS 103 HA HIS 103 -2.829 6.897 11.448 792 HB2 HIS 103 2HB HIS 103 -0.845 7.410 9.211 793 HB3 HIS 103 3HB HIS 103 -0.744 6.100 10.386 794 HD1 HIS 103 1HD HIS 103 -1.282 3.996 9.079 795 HD2 HIS 103 2HD HIS 103 -3.843 7.144 8.167 796 HE1 HIS 103 1HE HIS 103 -2.993 3.054 7.504 797 HE2 HIS 103 2HE HIS 103 -4.397 5.028 6.816 798 H GLN 104 HN GLN 104 -0.805 6.872 12.844 799 HA GLN 104 HA GLN 104 -0.623 9.629 13.793 800 HB2 GLN 104 2HB GLN 104 -1.544 7.856 15.264 801 HB3 GLN 104 3HB GLN 104 0.027 7.067 15.249 802 HG2 GLN 104 2HG GLN 104 1.036 8.888 16.398 803 HG3 GLN 104 3HG GLN 104 -0.413 9.877 16.218 804 HE21 GLN 104 1HE2 GLN 104 -2.202 7.650 16.806 805 HE22 GLN 104 2HE2 GLN 104 -2.095 7.383 18.510 806 H ALA 105 HN ALA 105 1.512 6.834 13.238 807 HA ALA 105 HA ALA 105 3.783 8.708 13.341 808 HB1 ALA 105 1HB ALA 105 5.183 6.832 14.028 809 HB2 ALA 105 2HB ALA 105 3.784 5.759 13.974 810 HB3 ALA 105 3HB ALA 105 3.845 7.070 15.153 811 H LEU 106 HN LEU 106 5.415 8.496 11.788 812 HA LEU 106 HA LEU 106 4.800 6.781 9.474 813 HB2 LEU 106 2HB LEU 106 4.428 9.531 9.528 814 HB3 LEU 106 3HB LEU 106 6.012 9.354 8.802 815 HG LEU 106 HG LEU 106 5.012 7.834 7.100 816 HD11 LEU 106 1HD1 LEU 106 3.083 7.080 8.379 817 HD12 LEU 106 2HD1 LEU 106 2.581 7.806 6.852 818 HD13 LEU 106 3HD1 LEU 106 2.418 8.712 8.357 819 HD21 LEU 106 3HD2 LEU 106 5.377 10.185 6.608 820 HD22 LEU 106 1HD2 LEU 106 3.813 10.591 7.312 821 HD23 LEU 106 2HD2 LEU 106 3.892 9.618 5.843 822 H VAL 107 HN VAL 107 6.553 5.589 8.914 823 HA VAL 107 HA VAL 107 9.191 6.537 9.824 824 HB VAL 107 HB VAL 107 8.181 4.879 11.435 825 HG11 VAL 107 1HG1 VAL 107 8.232 2.504 10.799 826 HG12 VAL 107 2HG1 VAL 107 8.563 2.974 9.131 827 HG13 VAL 107 3HG1 VAL 107 7.037 3.427 9.890 828 HG21 VAL 107 3HG2 VAL 107 10.228 3.557 11.678 829 HG22 VAL 107 1HG2 VAL 107 10.575 5.258 11.368 830 HG23 VAL 107 2HG2 VAL 107 10.745 4.071 10.073 831 H TRP 108 HN TRP 108 10.958 5.892 8.607 832 HA TRP 108 HA TRP 108 10.369 4.478 6.097 833 HB2 TRP 108 2HB TRP 108 12.714 6.232 6.865 834 HB3 TRP 108 3HB TRP 108 12.595 5.348 5.350 835 HD1 TRP 108 1HD TRP 108 10.403 6.105 3.755 836 HE1 TRP 108 1HE TRP 108 9.510 8.485 3.348 837 HE3 TRP 108 3HE TRP 108 12.424 8.447 7.829 838 HZ2 TRP 108 2HZ TRP 108 9.641 11.016 4.588 839 HZ3 TRP 108 3HZ TRP 108 11.992 10.846 8.142 840 HH2 TRP 108 2HH TRP 108 10.630 12.103 6.556 841 H CYS 109 HN CYS 109 10.824 2.391 6.144 842 HA CYS 109 HA CYS 109 13.175 1.494 7.686 843 HB2 CYS 109 2HB CYS 109 11.910 -0.639 8.092 844 HB3 CYS 109 3HB CYS 109 11.233 0.770 8.904 845 HG CYS 109 HG CYS 109 9.513 0.959 6.363 846 H SER 110 HN SER 110 14.336 -0.295 6.781 847 HA SER 110 HA SER 110 14.437 -0.305 3.944 848 HB2 SER 110 2HB SER 110 15.654 -2.285 5.894 849 HB3 SER 110 3HB SER 110 16.133 -2.048 4.212 850 HG SER 110 HG SER 110 17.431 -0.952 5.888 851 HA PRO 111 HA PRO 111 11.463 -3.324 2.616 852 HB2 PRO 111 2HB PRO 111 13.220 -5.242 1.482 853 HB3 PRO 111 3HB PRO 111 12.353 -3.958 0.641 854 HG2 PRO 111 2HG PRO 111 15.158 -4.034 1.596 855 HG3 PRO 111 3HG PRO 111 14.461 -3.171 0.214 856 HD2 PRO 111 2HD PRO 111 15.190 -1.881 2.444 857 HD3 PRO 111 3HD PRO 111 13.748 -1.395 1.526 858 H GLU 112 HN GLU 112 14.405 -5.030 3.757 859 HA GLU 112 HA GLU 112 12.966 -7.275 4.703 860 HB2 GLU 112 2HB GLU 112 15.047 -7.958 5.767 861 HB3 GLU 112 3HB GLU 112 15.345 -7.385 4.132 862 HG2 GLU 112 2HG GLU 112 16.011 -5.186 5.116 863 HG3 GLU 112 3HG GLU 112 15.902 -5.941 6.707 864 H GLU 113 HN GLU 113 13.790 -4.223 6.170 865 HA GLU 113 HA GLU 113 13.325 -4.951 8.865 866 HB2 GLU 113 2HB GLU 113 13.065 -2.258 7.514 867 HB3 GLU 113 3HB GLU 113 13.053 -2.515 9.252 868 HG2 GLU 113 2HG GLU 113 15.344 -3.247 7.453 869 HG3 GLU 113 3HG GLU 113 15.215 -1.725 8.334 870 H ALA 114 HN ALA 114 11.257 -3.773 6.272 871 HA ALA 114 HA ALA 114 9.035 -3.012 7.785 872 HB1 ALA 114 1HB ALA 114 9.048 -4.074 4.965 873 HB2 ALA 114 2HB ALA 114 9.381 -2.406 5.428 874 HB3 ALA 114 3HB ALA 114 7.785 -3.099 5.712 875 H LEU 115 HN LEU 115 9.841 -6.178 6.383 876 HA LEU 115 HA LEU 115 7.327 -7.325 7.069 877 HB2 LEU 115 2HB LEU 115 9.483 -8.037 5.472 878 HB3 LEU 115 3HB LEU 115 9.496 -9.235 6.750 879 HG LEU 115 HG LEU 115 8.206 -9.814 4.631 880 HD11 LEU 115 1HD1 LEU 115 6.757 -9.921 7.270 881 HD12 LEU 115 2HD1 LEU 115 7.934 -11.091 6.673 882 HD13 LEU 115 3HD1 LEU 115 6.386 -10.901 5.851 883 HD21 LEU 115 3HD2 LEU 115 7.131 -7.572 4.438 884 HD22 LEU 115 1HD2 LEU 115 6.136 -7.984 5.832 885 HD23 LEU 115 2HD2 LEU 115 6.008 -8.927 4.347 886 H GLN 116 HN GLN 116 10.117 -6.622 8.921 887 HA GLN 116 HA GLN 116 9.518 -8.585 10.960 888 HB2 GLN 116 2HB GLN 116 11.439 -6.246 10.900 889 HB3 GLN 116 3HB GLN 116 11.311 -7.396 12.223 890 HG2 GLN 116 2HG GLN 116 12.095 -9.177 10.859 891 HG3 GLN 116 3HG GLN 116 11.978 -8.190 9.402 892 HE21 GLN 116 1HE2 GLN 116 13.540 -6.689 8.964 893 HE22 GLN 116 2HE2 GLN 116 15.037 -6.590 9.827 894 H TYR 117 HN TYR 117 8.248 -5.667 9.997 895 HA TYR 117 HA TYR 117 7.505 -4.741 12.658 896 HB2 TYR 117 2HB TYR 117 7.131 -3.664 9.873 897 HB3 TYR 117 3HB TYR 117 6.166 -3.038 11.204 898 HD1 TYR 117 1HD TYR 117 9.776 -3.888 10.678 899 HD2 TYR 117 2HD TYR 117 6.932 -1.024 12.019 900 HE1 TYR 117 1HE TYR 117 11.605 -2.353 11.249 901 HE2 TYR 117 2HE TYR 117 8.758 0.523 12.598 902 HH TYR 117 HH TYR 117 11.095 0.531 13.077 903 HA PRO 118 HA PRO 118 3.578 -6.793 12.702 904 HB2 PRO 118 2HB PRO 118 2.004 -4.917 13.912 905 HB3 PRO 118 3HB PRO 118 3.159 -5.933 14.780 906 HG2 PRO 118 2HG PRO 118 3.452 -3.107 13.843 907 HG3 PRO 118 3HG PRO 118 3.959 -3.837 15.377 908 HD2 PRO 118 2HD PRO 118 5.693 -3.355 13.365 909 HD3 PRO 118 3HD PRO 118 5.873 -4.740 14.461 910 H LEU 119 HN LEU 119 3.566 -6.582 10.332 911 HA LEU 119 HA LEU 119 1.849 -4.523 9.217 912 HB2 LEU 119 2HB LEU 119 3.288 -6.868 7.974 913 HB3 LEU 119 3HB LEU 119 2.287 -5.752 7.068 914 HG LEU 119 HG LEU 119 4.842 -5.049 8.530 915 HD11 LEU 119 1HD1 LEU 119 5.209 -6.377 6.517 916 HD12 LEU 119 2HD1 LEU 119 5.745 -4.710 6.289 917 HD13 LEU 119 3HD1 LEU 119 4.219 -5.251 5.586 918 HD21 LEU 119 3HD2 LEU 119 4.608 -2.866 7.458 919 HD22 LEU 119 1HD2 LEU 119 3.257 -3.190 8.545 920 HD23 LEU 119 2HD2 LEU 119 3.045 -3.350 6.801 921 H ALA 120 HN ALA 120 -0.098 -5.002 8.067 922 HA ALA 120 HA ALA 120 -1.724 -6.995 9.309 923 HB1 ALA 120 1HB ALA 120 -2.287 -5.250 6.909 924 HB2 ALA 120 2HB ALA 120 -2.655 -4.855 8.589 925 HB3 ALA 120 3HB ALA 120 -3.480 -6.198 7.797 926 HA PRO 121 HA PRO 121 -1.248 -10.564 6.789 927 HB2 PRO 121 2HB PRO 121 -3.842 -11.212 6.117 928 HB3 PRO 121 3HB PRO 121 -3.082 -11.582 7.667 929 HG2 PRO 121 2HG PRO 121 -4.893 -9.314 6.938 930 HG3 PRO 121 3HG PRO 121 -4.876 -10.312 8.405 931 HD2 PRO 121 2HD PRO 121 -3.833 -7.853 8.400 932 HD3 PRO 121 3HD PRO 121 -3.068 -9.173 9.310 933 H ALA 122 HN ALA 122 -2.778 -7.806 5.429 934 HA ALA 122 HA ALA 122 -2.767 -8.934 2.738 935 HB1 ALA 122 1HB ALA 122 -3.597 -6.192 3.687 936 HB2 ALA 122 2HB ALA 122 -4.677 -7.557 3.389 937 HB3 ALA 122 3HB ALA 122 -3.790 -6.826 2.052 938 H ASP 123 HN ASP 123 -0.952 -6.811 4.793 939 HA ASP 123 HA ASP 123 0.501 -5.498 2.682 940 HB2 ASP 123 2HB ASP 123 0.964 -5.557 5.672 941 HB3 ASP 123 3HB ASP 123 1.804 -4.502 4.539 942 H ILE 124 HN ILE 124 0.894 -8.286 4.689 943 HA ILE 124 HA ILE 124 3.688 -8.526 4.640 944 HB ILE 124 HB ILE 124 1.591 -10.685 4.884 945 HG12 ILE 124 2HG1 ILE 124 3.230 -9.257 6.986 946 HG13 ILE 124 3HG1 ILE 124 1.539 -8.927 6.625 947 HG21 ILE 124 1HG2 ILE 124 4.545 -10.808 5.495 948 HG22 ILE 124 2HG2 ILE 124 3.723 -11.640 4.176 949 HG23 ILE 124 3HG2 ILE 124 3.368 -12.074 5.847 950 HD11 ILE 124 3HD1 ILE 124 0.967 -11.209 7.305 951 HD12 ILE 124 1HD1 ILE 124 1.741 -10.299 8.602 952 HD13 ILE 124 2HD1 ILE 124 2.659 -11.505 7.700 953 HA PRO 125 HA PRO 125 3.135 -11.559 0.826 954 HB2 PRO 125 2HB PRO 125 0.820 -11.058 -0.622 955 HB3 PRO 125 3HB PRO 125 1.053 -12.407 0.497 956 HG2 PRO 125 2HG PRO 125 -0.293 -9.780 0.945 957 HG3 PRO 125 3HG PRO 125 -0.763 -11.396 1.510 958 HD2 PRO 125 2HD PRO 125 0.406 -9.633 3.148 959 HD3 PRO 125 3HD PRO 125 0.777 -11.366 3.245 960 H LEU 126 HN LEU 126 1.957 -8.259 0.882 961 HA LEU 126 HA LEU 126 2.645 -7.695 -1.842 962 HB2 LEU 126 2HB LEU 126 2.030 -5.853 0.470 963 HB3 LEU 126 3HB LEU 126 2.234 -5.333 -1.192 964 HG LEU 126 HG LEU 126 0.068 -7.184 -0.194 965 HD11 LEU 126 1HD1 LEU 126 -1.435 -5.311 -0.641 966 HD12 LEU 126 2HD1 LEU 126 -0.054 -4.299 -1.059 967 HD13 LEU 126 3HD1 LEU 126 -0.239 -4.899 0.588 968 HD21 LEU 126 3HD2 LEU 126 0.491 -5.959 -2.916 969 HD22 LEU 126 1HD2 LEU 126 -0.882 -6.947 -2.422 970 HD23 LEU 126 2HD2 LEU 126 0.731 -7.655 -2.503 971 H LEU 127 HN LEU 127 4.112 -7.100 1.331 972 HA LEU 127 HA LEU 127 6.380 -5.748 0.233 973 HB2 LEU 127 2HB LEU 127 5.478 -5.543 2.607 974 HB3 LEU 127 3HB LEU 127 6.234 -7.088 2.926 975 HG LEU 127 HG LEU 127 7.519 -5.007 3.637 976 HD11 LEU 127 1HD1 LEU 127 9.696 -5.895 2.920 977 HD12 LEU 127 2HD1 LEU 127 8.862 -6.983 1.810 978 HD13 LEU 127 3HD1 LEU 127 8.624 -7.145 3.549 979 HD21 LEU 127 3HD2 LEU 127 8.828 -3.909 1.884 980 HD22 LEU 127 1HD2 LEU 127 7.093 -3.655 1.679 981 HD23 LEU 127 2HD2 LEU 127 7.941 -4.825 0.666 982 H GLU 128 HN GLU 128 5.660 -9.081 1.215 983 HA GLU 128 HA GLU 128 8.150 -10.249 0.981 984 HB2 GLU 128 2HB GLU 128 5.449 -11.323 0.137 985 HB3 GLU 128 3HB GLU 128 6.905 -12.304 0.244 986 HG2 GLU 128 2HG GLU 128 6.128 -10.750 2.640 987 HG3 GLU 128 3HG GLU 128 5.130 -12.136 2.208 988 H ALA 129 HN ALA 129 5.843 -9.422 -1.591 989 HA ALA 129 HA ALA 129 7.605 -10.446 -3.630 990 HB1 ALA 129 1HB ALA 129 5.206 -8.728 -4.136 991 HB2 ALA 129 2HB ALA 129 5.081 -10.452 -3.765 992 HB3 ALA 129 3HB ALA 129 5.968 -9.920 -5.195 993 H PHE 130 HN PHE 130 7.160 -7.387 -2.037 994 HA PHE 130 HA PHE 130 8.208 -5.788 -4.152 995 HB2 PHE 130 2HB PHE 130 6.885 -4.784 -2.340 996 HB3 PHE 130 3HB PHE 130 8.105 -5.271 -1.168 997 HD1 PHE 130 2HD PHE 130 7.424 -3.048 -4.028 998 HD2 PHE 130 1HD PHE 130 10.074 -3.986 -0.832 999 HE1 PHE 130 2HE PHE 130 8.606 -0.923 -4.391 1000 HE2 PHE 130 1HE PHE 130 11.263 -1.861 -1.193 1001 HZ PHE 130 HZ PHE 130 10.528 -0.327 -2.973 1002 H MET 131 HN MET 131 9.532 -7.241 -1.204 1003 HA MET 131 HA MET 131 12.213 -6.515 -1.791 1004 HB2 MET 131 2HB MET 131 12.855 -7.997 0.005 1005 HB3 MET 131 3HB MET 131 11.431 -7.090 0.496 1006 HG2 MET 131 2HG MET 131 10.033 -9.039 -0.004 1007 HG3 MET 131 3HG MET 131 11.476 -9.945 -0.460 1008 HE1 MET 131 3HE MET 131 13.413 -10.118 2.951 1009 HE2 MET 131 1HE MET 131 13.587 -8.898 1.689 1010 HE3 MET 131 2HE MET 131 13.419 -10.599 1.254 1011 H ALA 132 HN ALA 132 10.188 -9.329 -2.590 1012 HA ALA 132 HA ALA 132 12.134 -10.939 -3.745 1013 HB1 ALA 132 1HB ALA 132 9.237 -10.571 -4.542 1014 HB2 ALA 132 2HB ALA 132 9.862 -11.704 -3.339 1015 HB3 ALA 132 3HB ALA 132 10.279 -11.908 -5.040 1016 H LEU 133 HN LEU 133 10.266 -8.259 -5.129 1017 HA LEU 133 HA LEU 133 11.059 -8.631 -7.807 1018 HB2 LEU 133 2HB LEU 133 9.564 -6.702 -6.281 1019 HB3 LEU 133 3HB LEU 133 10.632 -5.879 -7.404 1020 HG LEU 133 HG LEU 133 9.661 -7.240 -9.248 1021 HD11 LEU 133 1HD1 LEU 133 7.546 -8.404 -8.851 1022 HD12 LEU 133 2HD1 LEU 133 7.716 -8.119 -7.120 1023 HD13 LEU 133 3HD1 LEU 133 8.877 -9.142 -7.964 1024 HD21 LEU 133 3HD2 LEU 133 8.889 -4.979 -8.805 1025 HD22 LEU 133 1HD2 LEU 133 7.713 -5.593 -7.644 1026 HD23 LEU 133 2HD2 LEU 133 7.559 -5.998 -9.355 1027 H ARG 134 HN ARG 134 12.578 -6.991 -5.118 1028 HA ARG 134 HA ARG 134 14.528 -5.747 -6.900 1029 HB2 ARG 134 2HB ARG 134 14.204 -5.509 -3.897 1030 HB3 ARG 134 3HB ARG 134 15.284 -4.544 -4.899 1031 HG2 ARG 134 2HG ARG 134 13.454 -3.491 -5.998 1032 HG3 ARG 134 3HG ARG 134 12.299 -4.599 -5.258 1033 HD2 ARG 134 2HD ARG 134 12.170 -2.514 -4.107 1034 HD3 ARG 134 3HD ARG 134 12.946 -3.678 -3.038 1035 HE ARG 134 HE ARG 134 15.082 -2.606 -3.625 1036 HH11 ARG 134 1HH1 ARG 134 12.135 -0.870 -4.317 1037 HH12 ARG 134 2HH1 ARG 134 12.852 0.705 -4.138 1038 HH21 ARG 134 1HH2 ARG 134 16.048 -0.559 -3.395 1039 HH22 ARG 134 2HH2 ARG 134 15.096 0.877 -3.638 1040 H ALA 135 HN ALA 135 14.219 -8.533 -4.936 1041 HA ALA 135 HA ALA 135 17.100 -8.856 -4.638 1042 HB1 ALA 135 1HB ALA 135 16.567 -10.875 -3.399 1043 HB2 ALA 135 2HB ALA 135 14.865 -10.716 -3.832 1044 HB3 ALA 135 3HB ALA 135 15.625 -9.516 -2.784 1045 H ALA 136 HN ALA 136 14.385 -10.218 -6.407 1046 HA ALA 136 HA ALA 136 16.134 -12.083 -7.812 1047 HB1 ALA 136 1HB ALA 136 13.927 -12.864 -7.076 1048 HB2 ALA 136 2HB ALA 136 14.085 -12.936 -8.831 1049 HB3 ALA 136 3HB ALA 136 13.159 -11.636 -8.081 1050 H ARG 137 HN ARG 137 14.133 -9.255 -8.419 1051 HA ARG 137 HA ARG 137 14.047 -7.713 -10.056 1052 HB2 ARG 137 2HB ARG 137 16.798 -8.763 -10.709 1053 HB3 ARG 137 3HB ARG 137 16.080 -7.341 -11.446 1054 HG2 ARG 137 2HG ARG 137 16.632 -7.678 -8.509 1055 HG3 ARG 137 3HG ARG 137 17.644 -6.785 -9.646 1056 HD2 ARG 137 2HD ARG 137 14.788 -6.161 -8.903 1057 HD3 ARG 137 3HD ARG 137 16.220 -5.263 -8.406 1058 HE ARG 137 HE ARG 137 15.424 -5.476 -11.243 1059 HH11 ARG 137 1HH1 ARG 137 16.334 -3.558 -8.451 1060 HH12 ARG 137 2HH1 ARG 137 16.398 -2.073 -9.344 1061 HH21 ARG 137 1HH2 ARG 137 15.494 -3.521 -12.397 1062 HH22 ARG 137 2HH2 ARG 137 15.922 -2.047 -11.576 1063 HA PRO 138 HA PRO 138 12.158 -10.558 -13.045 1064 HB2 PRO 138 2HB PRO 138 10.853 -7.973 -13.730 1065 HB3 PRO 138 3HB PRO 138 10.130 -9.563 -13.451 1066 HG2 PRO 138 2HG PRO 138 9.926 -7.681 -11.609 1067 HG3 PRO 138 3HG PRO 138 10.262 -9.358 -11.143 1068 HD2 PRO 138 2HD PRO 138 12.148 -7.037 -11.333 1069 HD3 PRO 138 3HD PRO 138 12.040 -8.297 -10.085 1070 H ALA 139 HN ALA 139 12.686 -10.960 -15.082 1071 HA ALA 139 HA ALA 139 14.528 -9.108 -16.390 1072 HB1 ALA 139 1HB ALA 139 13.819 -11.968 -17.003 1073 HB2 ALA 139 2HB ALA 139 15.224 -11.415 -16.092 1074 HB3 ALA 139 3HB ALA 139 15.073 -11.025 -17.806 1075 H ASP 140 HN ASP 140 11.306 -9.730 -16.378 1076 HA ASP 140 HA ASP 140 10.978 -8.840 -19.157 1077 HB2 ASP 140 2HB ASP 140 8.807 -10.013 -19.188 1078 HB3 ASP 140 3HB ASP 140 10.141 -11.124 -18.915 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -21.780 -12.989 1.474 2 H2 GLY 1 2H GLY 1 -22.932 -11.944 2.150 3 H3 GLY 1 3H GLY 1 -21.596 -11.307 1.322 4 HA2 GLY 1 3HA GLY 1 -23.555 -11.171 -0.065 5 HA3 GLY 1 2HA GLY 1 -22.380 -12.289 -0.748 6 HA PRO 2 HA PRO 2 -26.234 -14.535 1.509 7 HB2 PRO 2 2HB PRO 2 -28.478 -13.357 0.311 8 HB3 PRO 2 3HB PRO 2 -27.953 -13.150 1.982 9 HG2 PRO 2 2HG PRO 2 -27.519 -11.386 -0.375 10 HG3 PRO 2 3HG PRO 2 -27.780 -10.951 1.323 11 HD2 PRO 2 2HD PRO 2 -25.356 -10.812 0.196 12 HD3 PRO 2 3HD PRO 2 -25.563 -11.323 1.885 13 H LEU 3 HN LEU 3 -27.058 -13.151 -1.694 14 HA LEU 3 HA LEU 3 -27.735 -15.812 -2.643 15 HB2 LEU 3 2HB LEU 3 -29.114 -13.748 -3.080 16 HB3 LEU 3 3HB LEU 3 -27.829 -13.184 -4.130 17 HG LEU 3 HG LEU 3 -28.177 -15.138 -5.594 18 HD11 LEU 3 1HD1 LEU 3 -30.164 -16.540 -5.270 19 HD12 LEU 3 2HD1 LEU 3 -30.463 -15.744 -3.724 20 HD13 LEU 3 3HD1 LEU 3 -29.009 -16.718 -3.949 21 HD21 LEU 3 3HD2 LEU 3 -30.679 -13.556 -5.030 22 HD22 LEU 3 1HD2 LEU 3 -30.312 -14.422 -6.521 23 HD23 LEU 3 2HD2 LEU 3 -29.334 -13.034 -6.043 24 H GLY 4 HN GLY 4 -24.955 -15.251 -2.045 25 HA2 GLY 4 2HA GLY 4 -22.958 -15.963 -2.970 26 HA3 GLY 4 3HA GLY 4 -23.802 -16.238 -4.488 27 H SER 5 HN SER 5 -24.491 -13.192 -3.399 28 HA SER 5 HA SER 5 -22.993 -11.947 -5.471 29 HB2 SER 5 2HB SER 5 -24.440 -10.577 -3.199 30 HB3 SER 5 3HB SER 5 -24.092 -9.929 -4.803 31 HG SER 5 HG SER 5 -25.897 -10.771 -5.433 32 H MET 6 HN MET 6 -20.811 -12.246 -5.067 33 HA MET 6 HA MET 6 -19.697 -11.182 -2.593 34 HB2 MET 6 2HB MET 6 -18.255 -12.308 -5.005 35 HB3 MET 6 3HB MET 6 -17.545 -11.943 -3.439 36 HG2 MET 6 2HG MET 6 -18.925 -13.684 -2.414 37 HG3 MET 6 3HG MET 6 -19.613 -14.057 -3.995 38 HE1 MET 6 3HE MET 6 -17.325 -17.162 -3.351 39 HE2 MET 6 1HE MET 6 -18.944 -16.608 -3.780 40 HE3 MET 6 2HE MET 6 -18.298 -16.283 -2.171 41 H LYS 7 HN LYS 7 -19.244 -9.094 -2.428 42 HA LYS 7 HA LYS 7 -18.978 -7.512 -4.866 43 HB2 LYS 7 2HB LYS 7 -19.273 -6.648 -1.979 44 HB3 LYS 7 3HB LYS 7 -19.182 -5.559 -3.358 45 HG2 LYS 7 2HG LYS 7 -21.241 -6.562 -4.253 46 HG3 LYS 7 3HG LYS 7 -21.345 -7.582 -2.817 47 HD2 LYS 7 2HD LYS 7 -21.506 -5.599 -1.408 48 HD3 LYS 7 3HD LYS 7 -21.360 -4.566 -2.832 49 HE2 LYS 7 2HE LYS 7 -23.430 -5.577 -3.730 50 HE3 LYS 7 3HE LYS 7 -23.592 -6.505 -2.238 51 HZ1 LYS 7 3HZ LYS 7 -24.951 -4.515 -2.180 52 HZ2 LYS 7 1HZ LYS 7 -23.585 -3.541 -2.449 53 HZ3 LYS 7 2HZ LYS 7 -23.728 -4.424 -1.006 54 H MET 8 HN MET 8 -17.124 -6.324 -5.316 55 HA MET 8 HA MET 8 -14.776 -7.282 -3.862 56 HB2 MET 8 2HB MET 8 -15.154 -6.275 -6.664 57 HB3 MET 8 3HB MET 8 -13.558 -6.304 -5.924 58 HG2 MET 8 2HG MET 8 -13.814 -8.719 -5.527 59 HG3 MET 8 3HG MET 8 -15.372 -8.668 -6.350 60 HE1 MET 8 3HE MET 8 -14.480 -10.647 -7.941 61 HE2 MET 8 1HE MET 8 -12.927 -10.614 -7.106 62 HE3 MET 8 2HE MET 8 -12.981 -10.536 -8.866 63 H ILE 9 HN ILE 9 -13.543 -6.039 -2.748 64 HA ILE 9 HA ILE 9 -14.012 -3.134 -2.763 65 HB ILE 9 HB ILE 9 -12.747 -4.895 -0.668 66 HG12 ILE 9 2HG1 ILE 9 -15.434 -3.538 -0.803 67 HG13 ILE 9 3HG1 ILE 9 -15.111 -5.264 -0.686 68 HG21 ILE 9 1HG2 ILE 9 -11.840 -2.546 -0.851 69 HG22 ILE 9 2HG2 ILE 9 -12.462 -3.039 0.725 70 HG23 ILE 9 3HG2 ILE 9 -13.434 -1.995 -0.324 71 HD11 ILE 9 3HD1 ILE 9 -14.636 -3.191 1.439 72 HD12 ILE 9 1HD1 ILE 9 -14.152 -4.883 1.560 73 HD13 ILE 9 2HD1 ILE 9 -15.862 -4.459 1.437 74 H GLU 10 HN GLU 10 -12.515 -2.121 -3.965 75 HA GLU 10 HA GLU 10 -9.965 -3.491 -4.384 76 HB2 GLU 10 2HB GLU 10 -11.270 -1.246 -5.932 77 HB3 GLU 10 3HB GLU 10 -9.672 -1.892 -6.280 78 HG2 GLU 10 2HG GLU 10 -11.322 -4.122 -6.190 79 HG3 GLU 10 3HG GLU 10 -12.264 -2.893 -7.032 80 H VAL 11 HN VAL 11 -8.178 -2.781 -3.482 81 HA VAL 11 HA VAL 11 -8.169 -0.062 -2.373 82 HB VAL 11 HB VAL 11 -7.048 -2.559 -1.072 83 HG11 VAL 11 1HG1 VAL 11 -6.432 -1.095 0.792 84 HG12 VAL 11 2HG1 VAL 11 -6.966 0.306 -0.137 85 HG13 VAL 11 3HG1 VAL 11 -5.590 -0.648 -0.693 86 HG21 VAL 11 3HG2 VAL 11 -9.448 -2.426 -0.812 87 HG22 VAL 11 1HG2 VAL 11 -9.327 -0.750 -0.276 88 HG23 VAL 11 2HG2 VAL 11 -8.668 -2.045 0.723 89 H VAL 12 HN VAL 12 -6.486 1.103 -3.020 90 HA VAL 12 HA VAL 12 -4.273 -0.298 -4.335 91 HB VAL 12 HB VAL 12 -3.630 2.104 -5.032 92 HG11 VAL 12 1HG1 VAL 12 -6.134 0.818 -6.119 93 HG12 VAL 12 2HG1 VAL 12 -4.476 0.433 -6.586 94 HG13 VAL 12 3HG1 VAL 12 -5.151 2.019 -6.956 95 HG21 VAL 12 3HG2 VAL 12 -6.516 2.549 -4.264 96 HG22 VAL 12 1HG2 VAL 12 -5.511 3.676 -5.176 97 HG23 VAL 12 2HG2 VAL 12 -5.111 3.293 -3.500 98 H ALA 13 HN ALA 13 -2.258 -0.274 -3.515 99 HA ALA 13 HA ALA 13 -1.882 1.184 -0.991 100 HB1 ALA 13 1HB ALA 13 -0.613 -1.412 -1.879 101 HB2 ALA 13 2HB ALA 13 -1.910 -1.251 -0.691 102 HB3 ALA 13 3HB ALA 13 -0.314 -0.582 -0.352 103 H ALA 14 HN ALA 14 -0.185 2.517 -0.846 104 HA ALA 14 HA ALA 14 1.439 2.831 -3.271 105 HB1 ALA 14 1HB ALA 14 0.232 4.828 -2.700 106 HB2 ALA 14 2HB ALA 14 1.936 5.099 -2.357 107 HB3 ALA 14 3HB ALA 14 0.814 4.765 -1.038 108 H ILE 15 HN ILE 15 3.399 1.955 -3.178 109 HA ILE 15 HA ILE 15 4.704 1.711 -0.571 110 HB ILE 15 HB ILE 15 5.453 0.595 -3.285 111 HG12 ILE 15 2HG1 ILE 15 4.250 -0.560 -0.787 112 HG13 ILE 15 3HG1 ILE 15 3.736 -0.753 -2.460 113 HG21 ILE 15 1HG2 ILE 15 7.460 1.219 -2.017 114 HG22 ILE 15 2HG2 ILE 15 7.310 -0.529 -2.203 115 HG23 ILE 15 3HG2 ILE 15 6.900 0.229 -0.667 116 HD11 ILE 15 3HD1 ILE 15 6.182 -1.976 -1.197 117 HD12 ILE 15 1HD1 ILE 15 5.683 -2.170 -2.888 118 HD13 ILE 15 2HD1 ILE 15 4.670 -2.813 -1.593 119 H ILE 16 HN ILE 16 5.504 3.673 -0.053 120 HA ILE 16 HA ILE 16 6.663 5.333 -2.142 121 HB ILE 16 HB ILE 16 6.227 5.976 0.787 122 HG12 ILE 16 2HG1 ILE 16 4.472 6.643 -1.586 123 HG13 ILE 16 3HG1 ILE 16 4.115 5.415 -0.377 124 HG21 ILE 16 1HG2 ILE 16 6.342 8.327 0.015 125 HG22 ILE 16 2HG2 ILE 16 6.779 7.746 -1.595 126 HG23 ILE 16 3HG2 ILE 16 7.853 7.444 -0.229 127 HD11 ILE 16 3HD1 ILE 16 4.403 8.359 0.159 128 HD12 ILE 16 1HD1 ILE 16 3.989 7.116 1.338 129 HD13 ILE 16 2HD1 ILE 16 2.882 7.478 0.014 130 H GLU 17 HN GLU 17 8.707 4.827 -2.584 131 HA GLU 17 HA GLU 17 10.415 3.939 -0.368 132 HB2 GLU 17 2HB GLU 17 10.050 2.215 -2.057 133 HB3 GLU 17 3HB GLU 17 10.611 3.306 -3.316 134 HG2 GLU 17 2HG GLU 17 12.826 3.360 -2.230 135 HG3 GLU 17 3HG GLU 17 12.242 2.180 -1.054 136 H ARG 18 HN ARG 18 11.709 5.466 0.290 137 HA ARG 18 HA ARG 18 12.919 7.248 -1.718 138 HB2 ARG 18 2HB ARG 18 11.133 8.146 0.036 139 HB3 ARG 18 3HB ARG 18 12.538 8.175 1.090 140 HG2 ARG 18 2HG ARG 18 12.207 10.333 0.063 141 HG3 ARG 18 3HG ARG 18 13.706 9.608 -0.517 142 HD2 ARG 18 2HD ARG 18 12.826 9.160 -2.618 143 HD3 ARG 18 3HD ARG 18 11.161 9.239 -2.044 144 HE ARG 18 HE ARG 18 12.315 11.762 -1.718 145 HH11 ARG 18 1HH1 ARG 18 11.438 9.617 -4.353 146 HH12 ARG 18 2HH1 ARG 18 11.034 10.915 -5.432 147 HH21 ARG 18 1HH2 ARG 18 11.760 13.461 -3.136 148 HH22 ARG 18 2HH2 ARG 18 11.204 13.083 -4.748 149 H ASP 19 HN ASP 19 15.020 7.038 -1.815 150 HA ASP 19 HA ASP 19 17.200 6.665 -1.287 151 HB2 ASP 19 2HB ASP 19 16.275 6.840 1.595 152 HB3 ASP 19 3HB ASP 19 17.955 6.783 1.066 153 H GLY 20 HN GLY 20 14.957 4.491 -1.229 154 HA2 GLY 20 2HA GLY 20 15.416 2.188 -1.486 155 HA3 GLY 20 3HA GLY 20 16.808 2.372 -0.429 156 H LYS 21 HN LYS 21 14.316 4.046 0.959 157 HA LYS 21 HA LYS 21 13.555 1.715 2.594 158 HB2 LYS 21 2HB LYS 21 13.546 4.619 3.434 159 HB3 LYS 21 3HB LYS 21 13.227 3.232 4.458 160 HG2 LYS 21 2HG LYS 21 15.753 2.783 3.333 161 HG3 LYS 21 3HG LYS 21 15.720 4.480 3.810 162 HD2 LYS 21 2HD LYS 21 15.078 3.902 6.044 163 HD3 LYS 21 3HD LYS 21 14.907 2.202 5.605 164 HE2 LYS 21 2HE LYS 21 16.984 2.338 6.686 165 HE3 LYS 21 3HE LYS 21 17.370 2.293 4.967 166 HZ1 LYS 21 3HZ LYS 21 17.404 4.817 5.135 167 HZ2 LYS 21 1HZ LYS 21 18.698 3.977 5.837 168 HZ3 LYS 21 2HZ LYS 21 17.457 4.598 6.811 169 H ILE 22 HN ILE 22 11.372 1.569 3.301 170 HA ILE 22 HA ILE 22 9.505 2.872 1.430 171 HB ILE 22 HB ILE 22 8.931 0.440 3.127 172 HG12 ILE 22 2HG1 ILE 22 9.945 0.462 0.276 173 HG13 ILE 22 3HG1 ILE 22 10.923 0.048 1.680 174 HG21 ILE 22 1HG2 ILE 22 6.942 1.415 2.270 175 HG22 ILE 22 2HG2 ILE 22 7.290 0.013 1.244 176 HG23 ILE 22 3HG2 ILE 22 7.662 1.646 0.677 177 HD11 ILE 22 3HD1 ILE 22 8.490 -1.422 0.705 178 HD12 ILE 22 1HD1 ILE 22 9.411 -1.822 2.159 179 HD13 ILE 22 2HD1 ILE 22 10.170 -1.947 0.569 180 H LEU 23 HN LEU 23 7.577 3.781 2.205 181 HA LEU 23 HA LEU 23 7.758 4.766 4.926 182 HB2 LEU 23 2HB LEU 23 7.261 6.296 3.042 183 HB3 LEU 23 3HB LEU 23 5.761 5.430 2.765 184 HG LEU 23 HG LEU 23 5.017 6.074 5.048 185 HD11 LEU 23 1HD1 LEU 23 7.162 6.413 6.101 186 HD12 LEU 23 2HD1 LEU 23 6.216 7.900 6.181 187 HD13 LEU 23 3HD1 LEU 23 7.522 7.747 5.004 188 HD21 LEU 23 3HD2 LEU 23 4.615 8.453 4.485 189 HD22 LEU 23 1HD2 LEU 23 4.242 7.338 3.171 190 HD23 LEU 23 2HD2 LEU 23 5.733 8.280 3.130 191 H LEU 24 HN LEU 24 6.814 3.807 6.528 192 HA LEU 24 HA LEU 24 4.325 2.289 6.068 193 HB2 LEU 24 2HB LEU 24 6.510 1.831 8.099 194 HB3 LEU 24 3HB LEU 24 4.932 1.077 8.212 195 HG LEU 24 HG LEU 24 5.404 0.112 5.893 196 HD11 LEU 24 1HD1 LEU 24 7.255 1.517 5.257 197 HD12 LEU 24 2HD1 LEU 24 7.770 -0.169 5.330 198 HD13 LEU 24 3HD1 LEU 24 8.197 0.942 6.634 199 HD21 LEU 24 3HD2 LEU 24 6.660 -1.747 6.813 200 HD22 LEU 24 1HD2 LEU 24 5.421 -1.202 7.943 201 HD23 LEU 24 2HD2 LEU 24 7.110 -0.767 8.208 202 H ALA 25 HN ALA 25 2.646 2.513 7.556 203 HA ALA 25 HA ALA 25 2.877 4.895 9.283 204 HB1 ALA 25 1HB ALA 25 1.506 5.310 7.282 205 HB2 ALA 25 2HB ALA 25 0.582 5.452 8.778 206 HB3 ALA 25 3HB ALA 25 0.424 4.006 7.776 207 H GLN 26 HN GLN 26 2.768 4.382 11.343 208 HA GLN 26 HA GLN 26 1.666 1.903 12.263 209 HB2 GLN 26 2HB GLN 26 3.653 3.098 13.268 210 HB3 GLN 26 3HB GLN 26 2.529 4.271 13.932 211 HG2 GLN 26 2HG GLN 26 2.258 1.345 14.526 212 HG3 GLN 26 3HG GLN 26 3.362 2.373 15.437 213 HE21 GLN 26 1HE2 GLN 26 2.516 3.976 16.772 214 HE22 GLN 26 2HE2 GLN 26 0.857 3.977 17.276 215 H ARG 27 HN ARG 27 -0.420 1.700 12.016 216 HA ARG 27 HA ARG 27 -2.311 2.342 13.782 217 HB2 ARG 27 2HB ARG 27 -2.251 4.692 13.501 218 HB3 ARG 27 3HB ARG 27 -2.149 4.567 11.753 219 HG2 ARG 27 2HG ARG 27 -4.328 5.354 12.373 220 HG3 ARG 27 3HG ARG 27 -4.470 3.728 11.706 221 HD2 ARG 27 2HD ARG 27 -4.450 2.883 14.081 222 HD3 ARG 27 3HD ARG 27 -4.606 4.564 14.596 223 HE ARG 27 HE ARG 27 -6.634 4.224 12.806 224 HH11 ARG 27 1HH1 ARG 27 -5.659 2.583 15.756 225 HH12 ARG 27 2HH1 ARG 27 -7.274 2.054 16.126 226 HH21 ARG 27 1HH2 ARG 27 -8.727 3.524 13.289 227 HH22 ARG 27 2HH2 ARG 27 -9.020 2.586 14.723 228 HA PRO 28 HA PRO 28 -4.169 -0.204 10.574 229 HB2 PRO 28 2HB PRO 28 -5.719 -1.664 12.163 230 HB3 PRO 28 3HB PRO 28 -3.963 -1.843 12.237 231 HG2 PRO 28 2HG PRO 28 -5.781 -0.290 14.043 232 HG3 PRO 28 3HG PRO 28 -4.451 -1.380 14.466 233 HD2 PRO 28 2HD PRO 28 -4.239 1.366 14.325 234 HD3 PRO 28 3HD PRO 28 -2.870 0.249 14.159 235 H ALA 29 HN ALA 29 -6.966 -0.951 11.275 236 HA ALA 29 HA ALA 29 -8.296 1.662 11.155 237 HB1 ALA 29 1HB ALA 29 -9.607 1.005 9.224 238 HB2 ALA 29 2HB ALA 29 -8.773 -0.547 9.165 239 HB3 ALA 29 3HB ALA 29 -7.884 0.943 8.850 240 H GLN 30 HN GLN 30 -8.932 -1.849 11.071 241 HA GLN 30 HA GLN 30 -11.445 -1.426 12.481 242 HB2 GLN 30 2HB GLN 30 -10.206 -3.986 11.444 243 HB3 GLN 30 3HB GLN 30 -11.836 -3.815 12.082 244 HG2 GLN 30 2HG GLN 30 -12.355 -2.250 10.245 245 HG3 GLN 30 3HG GLN 30 -10.745 -2.534 9.586 246 HE21 GLN 30 1HE2 GLN 30 -12.741 -4.985 11.094 247 HE22 GLN 30 2HE2 GLN 30 -13.016 -5.909 9.656 248 H SER 31 HN SER 31 -8.211 -2.206 13.145 249 HA SER 31 HA SER 31 -8.799 -3.564 15.642 250 HB2 SER 31 2HB SER 31 -6.109 -2.691 14.571 251 HB3 SER 31 3HB SER 31 -6.433 -3.917 15.802 252 HG SER 31 HG SER 31 -7.763 -4.860 13.897 253 H ASP 32 HN ASP 32 -8.536 -2.688 17.643 254 HA ASP 32 HA ASP 32 -8.329 0.214 17.820 255 HB2 ASP 32 2HB ASP 32 -10.102 -0.903 19.079 256 HB3 ASP 32 3HB ASP 32 -8.913 -1.902 19.907 257 H GLN 33 HN GLN 33 -6.542 -2.658 18.464 258 HA GLN 33 HA GLN 33 -4.590 -1.658 20.222 259 HB2 GLN 33 2HB GLN 33 -3.207 -3.584 19.350 260 HB3 GLN 33 3HB GLN 33 -4.784 -4.012 19.997 261 HG2 GLN 33 2HG GLN 33 -5.685 -4.252 17.784 262 HG3 GLN 33 3HG GLN 33 -4.187 -3.662 17.067 263 HE21 GLN 33 1HE2 GLN 33 -4.271 -5.807 19.815 264 HE22 GLN 33 2HE2 GLN 33 -3.646 -7.201 18.999 265 H ALA 34 HN ALA 34 -2.817 -0.481 19.937 266 HA ALA 34 HA ALA 34 -2.214 0.477 17.230 267 HB1 ALA 34 1HB ALA 34 -2.680 2.202 18.867 268 HB2 ALA 34 2HB ALA 34 -0.987 2.281 18.375 269 HB3 ALA 34 3HB ALA 34 -1.423 1.568 19.928 270 H GLY 35 HN GLY 35 0.109 0.852 16.731 271 HA2 GLY 35 2HA GLY 35 2.417 0.339 17.356 272 HA3 GLY 35 3HA GLY 35 1.831 -1.170 18.032 273 H LEU 36 HN LEU 36 0.015 -1.602 15.706 274 HA LEU 36 HA LEU 36 1.828 -2.962 14.021 275 HB2 LEU 36 2HB LEU 36 -1.029 -2.337 13.344 276 HB3 LEU 36 3HB LEU 36 -0.092 -3.757 12.921 277 HG LEU 36 HG LEU 36 -0.963 -3.110 15.736 278 HD11 LEU 36 1HD1 LEU 36 -2.225 -4.948 13.714 279 HD12 LEU 36 2HD1 LEU 36 -2.912 -3.452 14.348 280 HD13 LEU 36 3HD1 LEU 36 -2.667 -4.833 15.417 281 HD21 LEU 36 3HD2 LEU 36 0.140 -5.622 14.483 282 HD22 LEU 36 1HD2 LEU 36 -0.432 -5.470 16.145 283 HD23 LEU 36 2HD2 LEU 36 0.982 -4.560 15.611 284 H TRP 37 HN TRP 37 2.374 -2.570 11.906 285 HA TRP 37 HA TRP 37 1.929 0.177 10.951 286 HB2 TRP 37 2HB TRP 37 4.137 -1.749 10.164 287 HB3 TRP 37 3HB TRP 37 3.963 -0.091 9.608 288 HD1 TRP 37 1HD TRP 37 3.144 0.045 13.128 289 HE1 TRP 37 1HE TRP 37 5.154 0.728 14.554 290 HE3 TRP 37 3HE TRP 37 6.848 -0.658 9.687 291 HZ2 TRP 37 2HZ TRP 37 7.956 0.965 14.269 292 HZ3 TRP 37 3HZ TRP 37 9.169 -0.174 10.342 293 HH2 TRP 37 2HH TRP 37 9.711 0.621 12.587 294 H GLU 38 HN GLU 38 1.266 0.512 8.836 295 HA GLU 38 HA GLU 38 0.966 -1.768 7.066 296 HB2 GLU 38 2HB GLU 38 -1.384 -1.099 6.481 297 HB3 GLU 38 3HB GLU 38 -1.200 -1.808 8.076 298 HG2 GLU 38 2HG GLU 38 -1.309 0.394 9.092 299 HG3 GLU 38 3HG GLU 38 -1.425 1.135 7.498 300 H PHE 39 HN PHE 39 0.483 -1.076 4.829 301 HA PHE 39 HA PHE 39 2.089 1.246 4.241 302 HB2 PHE 39 2HB PHE 39 0.759 -0.834 2.517 303 HB3 PHE 39 3HB PHE 39 1.565 0.567 1.825 304 HD1 PHE 39 1HD PHE 39 2.394 -1.769 4.588 305 HD2 PHE 39 2HD PHE 39 3.534 -0.004 0.905 306 HE1 PHE 39 1HE PHE 39 4.526 -2.974 4.680 307 HE2 PHE 39 2HE PHE 39 5.666 -1.190 0.987 308 HZ PHE 39 HZ PHE 39 6.184 -2.687 2.879 309 H ALA 40 HN ALA 40 1.401 3.001 2.879 310 HA ALA 40 HA ALA 40 -1.222 3.925 3.649 311 HB1 ALA 40 1HB ALA 40 0.729 5.418 3.722 312 HB2 ALA 40 2HB ALA 40 -0.557 6.043 2.690 313 HB3 ALA 40 3HB ALA 40 0.870 5.296 1.968 314 H GLY 41 HN GLY 41 -2.698 4.894 2.066 315 HA2 GLY 41 2HA GLY 41 -2.831 4.752 -0.587 316 HA3 GLY 41 3HA GLY 41 -3.053 3.061 -0.151 317 H GLY 42 HN GLY 42 -5.156 2.766 -0.641 318 HA2 GLY 42 2HA GLY 42 -7.154 3.389 1.125 319 HA3 GLY 42 3HA GLY 42 -7.155 4.736 -0.002 320 H LYS 43 HN LYS 43 -9.415 3.510 0.062 321 HA LYS 43 HA LYS 43 -9.578 1.257 -1.710 322 HB2 LYS 43 2HB LYS 43 -11.218 1.567 0.100 323 HB3 LYS 43 3HB LYS 43 -11.764 3.064 -0.645 324 HG2 LYS 43 2HG LYS 43 -12.403 1.729 -2.659 325 HG3 LYS 43 3HG LYS 43 -12.033 0.272 -1.735 326 HD2 LYS 43 2HD LYS 43 -13.735 0.815 -0.118 327 HD3 LYS 43 3HD LYS 43 -14.038 2.364 -0.906 328 HE2 LYS 43 2HE LYS 43 -14.482 -0.363 -2.113 329 HE3 LYS 43 3HE LYS 43 -15.735 0.728 -1.523 330 HZ1 LYS 43 3HZ LYS 43 -13.897 1.244 -3.801 331 HZ2 LYS 43 1HZ LYS 43 -15.048 2.343 -3.210 332 HZ3 LYS 43 2HZ LYS 43 -15.542 0.878 -3.904 333 H VAL 44 HN VAL 44 -10.592 1.233 -3.751 334 HA VAL 44 HA VAL 44 -10.239 3.723 -5.266 335 HB VAL 44 HB VAL 44 -10.621 0.891 -6.269 336 HG11 VAL 44 1HG1 VAL 44 -11.383 2.574 -7.859 337 HG12 VAL 44 2HG1 VAL 44 -9.916 1.784 -8.434 338 HG13 VAL 44 3HG1 VAL 44 -9.831 3.406 -7.742 339 HG21 VAL 44 3HG2 VAL 44 -8.503 1.126 -5.094 340 HG22 VAL 44 1HG2 VAL 44 -8.103 2.537 -6.073 341 HG23 VAL 44 2HG2 VAL 44 -8.241 0.949 -6.828 342 H GLU 45 HN GLU 45 -12.013 4.868 -5.640 343 HA GLU 45 HA GLU 45 -14.636 3.630 -5.485 344 HB2 GLU 45 2HB GLU 45 -13.755 6.479 -6.012 345 HB3 GLU 45 3HB GLU 45 -15.436 5.968 -5.922 346 HG2 GLU 45 2HG GLU 45 -13.429 5.696 -3.692 347 HG3 GLU 45 3HG GLU 45 -14.621 6.988 -3.836 348 HA PRO 46 HA PRO 46 -15.092 2.873 -9.744 349 HB2 PRO 46 2HB PRO 46 -17.847 3.657 -9.915 350 HB3 PRO 46 3HB PRO 46 -17.178 2.037 -9.739 351 HG2 PRO 46 2HG PRO 46 -18.639 3.377 -7.814 352 HG3 PRO 46 3HG PRO 46 -17.569 1.998 -7.510 353 HD2 PRO 46 2HD PRO 46 -17.113 4.898 -7.046 354 HD3 PRO 46 3HD PRO 46 -16.499 3.496 -6.145 355 H ASP 47 HN ASP 47 -15.140 5.948 -8.664 356 HA ASP 47 HA ASP 47 -15.858 7.138 -11.239 357 HB2 ASP 47 2HB ASP 47 -15.357 8.444 -8.556 358 HB3 ASP 47 3HB ASP 47 -15.784 9.305 -10.029 359 H GLU 48 HN GLU 48 -13.166 5.987 -9.717 360 HA GLU 48 HA GLU 48 -11.432 8.011 -10.951 361 HB2 GLU 48 2HB GLU 48 -10.002 7.999 -8.975 362 HB3 GLU 48 3HB GLU 48 -11.633 8.524 -8.578 363 HG2 GLU 48 2HG GLU 48 -12.110 6.229 -7.767 364 HG3 GLU 48 3HG GLU 48 -10.415 5.826 -8.042 365 H SER 49 HN SER 49 -9.143 7.330 -10.942 366 HA SER 49 HA SER 49 -8.955 4.587 -11.915 367 HB2 SER 49 2HB SER 49 -7.014 6.891 -12.170 368 HB3 SER 49 3HB SER 49 -6.872 5.329 -12.971 369 HG SER 49 HG SER 49 -8.979 5.825 -13.929 370 H GLN 50 HN GLN 50 -6.942 3.349 -11.431 371 HA GLN 50 HA GLN 50 -6.673 2.910 -8.692 372 HB2 GLN 50 2HB GLN 50 -4.683 2.189 -10.852 373 HB3 GLN 50 3HB GLN 50 -4.785 1.463 -9.256 374 HG2 GLN 50 2HG GLN 50 -6.946 0.518 -9.787 375 HG3 GLN 50 3HG GLN 50 -6.930 1.313 -11.360 376 HE21 GLN 50 1HE2 GLN 50 -7.142 -1.511 -10.791 377 HE22 GLN 50 2HE2 GLN 50 -5.783 -2.264 -11.556 378 H ARG 51 HN ARG 51 -4.313 4.414 -10.908 379 HA ARG 51 HA ARG 51 -2.480 5.135 -8.869 380 HB2 ARG 51 2HB ARG 51 -2.810 6.537 -11.524 381 HB3 ARG 51 3HB ARG 51 -1.363 6.466 -10.531 382 HG2 ARG 51 2HG ARG 51 -1.216 4.046 -10.950 383 HG3 ARG 51 3HG ARG 51 -2.629 4.166 -12.002 384 HD2 ARG 51 2HD ARG 51 -1.344 5.870 -13.344 385 HD3 ARG 51 3HD ARG 51 0.074 5.433 -12.392 386 HE ARG 51 HE ARG 51 -1.357 3.317 -13.828 387 HH11 ARG 51 1HH1 ARG 51 1.487 5.333 -13.472 388 HH12 ARG 51 2HH1 ARG 51 2.438 4.426 -14.610 389 HH21 ARG 51 1HH2 ARG 51 -0.108 2.115 -15.324 390 HH22 ARG 51 2HH2 ARG 51 1.537 2.574 -15.647 391 H GLN 52 HN GLN 52 -5.321 6.628 -10.167 392 HA GLN 52 HA GLN 52 -4.791 9.281 -9.285 393 HB2 GLN 52 2HB GLN 52 -6.283 8.927 -11.132 394 HB3 GLN 52 3HB GLN 52 -7.300 7.859 -10.177 395 HG2 GLN 52 2HG GLN 52 -8.076 9.683 -8.847 396 HG3 GLN 52 3HG GLN 52 -6.934 10.789 -9.612 397 HE21 GLN 52 1HE2 GLN 52 -7.347 11.527 -11.690 398 HE22 GLN 52 2HE2 GLN 52 -8.886 11.328 -12.459 399 H ALA 53 HN ALA 53 -6.615 6.535 -8.013 400 HA ALA 53 HA ALA 53 -7.683 7.758 -5.737 401 HB1 ALA 53 1HB ALA 53 -8.365 5.541 -6.541 402 HB2 ALA 53 2HB ALA 53 -7.920 5.515 -4.836 403 HB3 ALA 53 3HB ALA 53 -6.802 4.890 -6.048 404 H LEU 54 HN LEU 54 -4.561 6.123 -6.239 405 HA LEU 54 HA LEU 54 -3.636 6.332 -3.593 406 HB2 LEU 54 2HB LEU 54 -2.242 6.091 -6.241 407 HB3 LEU 54 3HB LEU 54 -1.339 6.237 -4.745 408 HG LEU 54 HG LEU 54 -3.297 4.041 -5.402 409 HD11 LEU 54 1HD1 LEU 54 -1.241 3.879 -6.696 410 HD12 LEU 54 2HD1 LEU 54 -1.315 2.614 -5.468 411 HD13 LEU 54 3HD1 LEU 54 -0.288 4.026 -5.219 412 HD21 LEU 54 3HD2 LEU 54 -3.295 4.522 -3.035 413 HD22 LEU 54 1HD2 LEU 54 -1.534 4.493 -3.001 414 HD23 LEU 54 2HD2 LEU 54 -2.429 3.015 -3.334 415 H VAL 55 HN VAL 55 -3.245 8.456 -6.387 416 HA VAL 55 HA VAL 55 -1.462 10.263 -5.199 417 HB VAL 55 HB VAL 55 -3.439 10.632 -7.455 418 HG11 VAL 55 1HG1 VAL 55 -2.989 12.802 -6.415 419 HG12 VAL 55 2HG1 VAL 55 -2.251 12.689 -8.014 420 HG13 VAL 55 3HG1 VAL 55 -1.255 12.516 -6.568 421 HG21 VAL 55 3HG2 VAL 55 -0.439 10.271 -7.418 422 HG22 VAL 55 1HG2 VAL 55 -1.441 10.484 -8.856 423 HG23 VAL 55 2HG2 VAL 55 -1.624 9.041 -7.857 424 H ARG 56 HN ARG 56 -5.015 10.250 -5.276 425 HA ARG 56 HA ARG 56 -5.154 12.754 -3.880 426 HB2 ARG 56 2HB ARG 56 -7.556 12.407 -3.759 427 HB3 ARG 56 3HB ARG 56 -6.968 12.097 -5.384 428 HG2 ARG 56 2HG ARG 56 -7.528 9.920 -5.324 429 HG3 ARG 56 3HG ARG 56 -7.159 9.757 -3.606 430 HD2 ARG 56 2HD ARG 56 -9.217 10.962 -3.055 431 HD3 ARG 56 3HD ARG 56 -9.591 11.105 -4.775 432 HE ARG 56 HE ARG 56 -9.934 8.739 -4.857 433 HH11 ARG 56 1HH1 ARG 56 -9.487 10.055 -1.629 434 HH12 ARG 56 2HH1 ARG 56 -10.158 8.667 -0.838 435 HH21 ARG 56 1HH2 ARG 56 -10.870 6.948 -3.840 436 HH22 ARG 56 2HH2 ARG 56 -10.961 6.893 -2.100 437 H GLU 57 HN GLU 57 -5.555 9.336 -2.922 438 HA GLU 57 HA GLU 57 -6.356 9.796 -0.292 439 HB2 GLU 57 2HB GLU 57 -4.913 7.518 -1.608 440 HB3 GLU 57 3HB GLU 57 -5.140 7.521 0.135 441 HG2 GLU 57 2HG GLU 57 -7.408 7.823 -1.814 442 HG3 GLU 57 3HG GLU 57 -6.854 6.263 -1.211 443 H LEU 58 HN LEU 58 -3.044 9.280 -1.508 444 HA LEU 58 HA LEU 58 -1.753 9.776 0.923 445 HB2 LEU 58 2HB LEU 58 -0.915 9.985 -1.920 446 HB3 LEU 58 3HB LEU 58 0.166 10.496 -0.651 447 HG LEU 58 HG LEU 58 0.112 8.252 0.307 448 HD11 LEU 58 1HD1 LEU 58 -2.096 7.538 -0.371 449 HD12 LEU 58 2HD1 LEU 58 -0.868 6.382 -0.885 450 HD13 LEU 58 3HD1 LEU 58 -1.573 7.500 -2.054 451 HD21 LEU 58 3HD2 LEU 58 1.830 8.822 -1.313 452 HD22 LEU 58 1HD2 LEU 58 0.774 8.281 -2.619 453 HD23 LEU 58 2HD2 LEU 58 1.380 7.121 -1.437 454 H ARG 59 HN ARG 59 -2.876 12.020 -1.598 455 HA ARG 59 HA ARG 59 -1.742 14.327 -0.475 456 HB2 ARG 59 2HB ARG 59 -2.715 14.399 -2.688 457 HB3 ARG 59 3HB ARG 59 -4.307 14.012 -2.045 458 HG2 ARG 59 2HG ARG 59 -4.393 16.133 -0.887 459 HG3 ARG 59 3HG ARG 59 -2.756 16.518 -1.419 460 HD2 ARG 59 2HD ARG 59 -3.494 16.524 -3.739 461 HD3 ARG 59 3HD ARG 59 -5.124 16.076 -3.234 462 HE ARG 59 HE ARG 59 -4.542 18.388 -1.858 463 HH11 ARG 59 1HH1 ARG 59 -4.739 17.446 -5.234 464 HH12 ARG 59 2HH1 ARG 59 -5.203 19.030 -5.779 465 HH21 ARG 59 1HH2 ARG 59 -5.171 20.457 -2.578 466 HH22 ARG 59 2HH2 ARG 59 -5.448 20.734 -4.270 467 H GLU 60 HN GLU 60 -4.715 12.605 0.286 468 HA GLU 60 HA GLU 60 -5.588 14.623 2.132 469 HB2 GLU 60 2HB GLU 60 -6.624 11.801 1.797 470 HB3 GLU 60 3HB GLU 60 -7.447 13.131 2.602 471 HG2 GLU 60 2HG GLU 60 -7.437 14.330 0.395 472 HG3 GLU 60 3HG GLU 60 -6.859 12.836 -0.331 473 H GLU 61 HN GLU 61 -4.156 11.389 2.386 474 HA GLU 61 HA GLU 61 -4.215 11.514 5.280 475 HB2 GLU 61 2HB GLU 61 -3.212 9.433 3.340 476 HB3 GLU 61 3HB GLU 61 -3.004 9.293 5.088 477 HG2 GLU 61 2HG GLU 61 -5.677 9.628 3.782 478 HG3 GLU 61 3HG GLU 61 -4.947 8.062 4.160 479 H LEU 62 HN LEU 62 -1.694 11.408 2.730 480 HA LEU 62 HA LEU 62 0.286 11.834 4.858 481 HB2 LEU 62 2HB LEU 62 0.741 11.048 1.983 482 HB3 LEU 62 3HB LEU 62 1.944 11.083 3.257 483 HG LEU 62 HG LEU 62 -0.417 9.204 3.101 484 HD11 LEU 62 1HD1 LEU 62 1.381 8.739 1.492 485 HD12 LEU 62 2HD1 LEU 62 1.241 7.488 2.726 486 HD13 LEU 62 3HD1 LEU 62 2.535 8.681 2.823 487 HD21 LEU 62 3HD2 LEU 62 1.801 9.404 5.134 488 HD22 LEU 62 1HD2 LEU 62 0.611 8.107 5.045 489 HD23 LEU 62 2HD2 LEU 62 0.095 9.753 5.410 490 H GLY 63 HN GLY 63 -1.509 13.859 3.228 491 HA2 GLY 63 2HA GLY 63 -1.307 15.820 2.054 492 HA3 GLY 63 3HA GLY 63 -0.084 16.119 3.269 493 H ILE 64 HN ILE 64 0.208 13.736 0.637 494 HA ILE 64 HA ILE 64 2.295 15.479 -0.504 495 HB ILE 64 HB ILE 64 3.607 13.483 -1.095 496 HG12 ILE 64 2HG1 ILE 64 1.679 11.955 0.672 497 HG13 ILE 64 3HG1 ILE 64 1.676 11.884 -1.086 498 HG21 ILE 64 1HG2 ILE 64 4.440 12.983 1.154 499 HG22 ILE 64 2HG2 ILE 64 3.007 13.746 1.844 500 HG23 ILE 64 3HG2 ILE 64 4.159 14.707 0.916 501 HD11 ILE 64 3HD1 ILE 64 2.796 9.955 -0.175 502 HD12 ILE 64 1HD1 ILE 64 3.902 10.987 0.735 503 HD13 ILE 64 2HD1 ILE 64 3.962 10.972 -1.027 504 H GLU 65 HN GLU 65 2.539 15.545 -2.682 505 HA GLU 65 HA GLU 65 0.419 14.387 -4.315 506 HB2 GLU 65 2HB GLU 65 2.751 16.133 -5.141 507 HB3 GLU 65 3HB GLU 65 1.361 15.718 -6.129 508 HG2 GLU 65 2HG GLU 65 -0.091 17.022 -4.758 509 HG3 GLU 65 3HG GLU 65 1.189 17.295 -3.574 510 H ALA 66 HN ALA 66 0.884 12.201 -4.414 511 HA ALA 66 HA ALA 66 3.591 11.300 -4.864 512 HB1 ALA 66 1HB ALA 66 2.664 9.063 -4.708 513 HB2 ALA 66 2HB ALA 66 1.027 9.717 -4.759 514 HB3 ALA 66 3HB ALA 66 2.072 10.067 -3.383 515 H THR 67 HN THR 67 4.353 10.186 -6.623 516 HA THR 67 HA THR 67 2.763 10.444 -9.086 517 HB THR 67 HB THR 67 5.778 10.249 -8.832 518 HG1 THR 67 1HG THR 67 5.658 12.326 -8.473 519 HG21 THR 67 3HG2 THR 67 5.800 10.843 -11.201 520 HG22 THR 67 1HG2 THR 67 4.038 10.876 -11.223 521 HG23 THR 67 2HG2 THR 67 4.889 9.357 -10.941 522 H VAL 68 HN VAL 68 1.799 8.526 -9.376 523 HA VAL 68 HA VAL 68 3.078 6.079 -8.482 524 HB VAL 68 HB VAL 68 0.369 6.477 -9.758 525 HG11 VAL 68 1HG1 VAL 68 1.542 4.126 -8.279 526 HG12 VAL 68 2HG1 VAL 68 1.153 4.198 -9.998 527 HG13 VAL 68 3HG1 VAL 68 -0.138 4.267 -8.798 528 HG21 VAL 68 3HG2 VAL 68 -0.526 6.310 -7.491 529 HG22 VAL 68 1HG2 VAL 68 0.561 7.689 -7.645 530 HG23 VAL 68 2HG2 VAL 68 1.112 6.217 -6.845 531 H GLY 69 HN GLY 69 4.227 4.751 -9.813 532 HA2 GLY 69 2HA GLY 69 3.595 4.478 -12.582 533 HA3 GLY 69 3HA GLY 69 4.982 5.516 -12.346 534 H GLU 70 HN GLU 70 3.723 2.258 -11.578 535 HA GLU 70 HA GLU 70 5.206 0.582 -12.737 536 HB2 GLU 70 2HB GLU 70 7.282 0.008 -11.701 537 HB3 GLU 70 3HB GLU 70 7.333 1.720 -12.083 538 HG2 GLU 70 2HG GLU 70 6.913 2.275 -9.767 539 HG3 GLU 70 3HG GLU 70 6.774 0.559 -9.375 540 H TYR 71 HN TYR 71 4.204 -1.221 -12.288 541 HA TYR 71 HA TYR 71 2.712 -1.538 -9.848 542 HB2 TYR 71 2HB TYR 71 2.210 -2.235 -12.368 543 HB3 TYR 71 3HB TYR 71 2.997 -3.723 -11.869 544 HD1 TYR 71 2HD TYR 71 1.964 -4.096 -9.124 545 HD2 TYR 71 1HD TYR 71 -0.001 -2.725 -12.638 546 HE1 TYR 71 2HE TYR 71 -0.185 -4.908 -8.237 547 HE2 TYR 71 1HE TYR 71 -2.147 -3.530 -11.764 548 HH TYR 71 HH TYR 71 -2.872 -5.363 -10.103 549 H VAL 72 HN VAL 72 3.292 -2.709 -8.070 550 HA VAL 72 HA VAL 72 5.717 -4.347 -8.222 551 HB VAL 72 HB VAL 72 4.095 -3.548 -5.797 552 HG11 VAL 72 1HG1 VAL 72 5.287 -5.645 -5.438 553 HG12 VAL 72 2HG1 VAL 72 6.030 -4.342 -4.506 554 HG13 VAL 72 3HG1 VAL 72 6.787 -4.902 -5.998 555 HG21 VAL 72 3HG2 VAL 72 6.701 -2.464 -6.860 556 HG22 VAL 72 1HG2 VAL 72 5.962 -2.026 -5.320 557 HG23 VAL 72 2HG2 VAL 72 5.150 -1.626 -6.834 558 H ALA 73 HN ALA 73 2.648 -4.783 -6.405 559 HA ALA 73 HA ALA 73 2.178 -7.323 -7.717 560 HB1 ALA 73 1HB ALA 73 3.851 -7.919 -6.023 561 HB2 ALA 73 2HB ALA 73 2.290 -8.676 -5.704 562 HB3 ALA 73 3HB ALA 73 2.798 -7.272 -4.765 563 H SER 74 HN SER 74 0.222 -8.435 -6.696 564 HA SER 74 HA SER 74 -1.568 -6.537 -5.377 565 HB2 SER 74 2HB SER 74 -3.421 -7.401 -6.873 566 HB3 SER 74 3HB SER 74 -2.223 -6.391 -7.680 567 HG SER 74 HG SER 74 -2.597 -8.216 -8.934 568 H HIS 75 HN HIS 75 -3.136 -7.510 -4.031 569 HA HIS 75 HA HIS 75 -2.952 -10.418 -3.708 570 HB2 HIS 75 2HB HIS 75 -1.355 -9.359 -2.109 571 HB3 HIS 75 3HB HIS 75 -2.706 -8.493 -1.389 572 HD1 HIS 75 1HD HIS 75 -1.638 -12.097 -2.010 573 HD2 HIS 75 2HD HIS 75 -3.881 -9.822 0.662 574 HE1 HIS 75 1HE HIS 75 -2.333 -13.679 -0.177 575 HE2 HIS 75 2HE HIS 75 -3.561 -12.251 1.501 576 H GLN 76 HN GLN 76 -4.784 -11.375 -2.880 577 HA GLN 76 HA GLN 76 -7.094 -9.591 -2.493 578 HB2 GLN 76 2HB GLN 76 -6.820 -12.315 -3.700 579 HB3 GLN 76 3HB GLN 76 -8.349 -11.847 -2.969 580 HG2 GLN 76 2HG GLN 76 -8.590 -10.018 -4.463 581 HG3 GLN 76 3HG GLN 76 -6.958 -10.244 -5.092 582 HE21 GLN 76 1HE2 GLN 76 -10.211 -11.481 -5.062 583 HE22 GLN 76 2HE2 GLN 76 -10.037 -12.529 -6.425 584 H ARG 77 HN ARG 77 -8.341 -9.775 -0.748 585 HA ARG 77 HA ARG 77 -8.119 -12.063 1.024 586 HB2 ARG 77 2HB ARG 77 -7.559 -10.888 2.992 587 HB3 ARG 77 3HB ARG 77 -6.449 -10.238 1.798 588 HG2 ARG 77 2HG ARG 77 -7.946 -8.288 1.524 589 HG3 ARG 77 3HG ARG 77 -8.970 -8.935 2.808 590 HD2 ARG 77 2HD ARG 77 -6.873 -8.931 4.257 591 HD3 ARG 77 3HD ARG 77 -6.136 -7.955 2.996 592 HE ARG 77 HE ARG 77 -8.642 -6.995 4.141 593 HH11 ARG 77 1HH1 ARG 77 -5.163 -6.720 3.931 594 HH12 ARG 77 2HH1 ARG 77 -5.097 -5.147 4.669 595 HH21 ARG 77 1HH2 ARG 77 -8.574 -4.918 5.130 596 HH22 ARG 77 2HH2 ARG 77 -7.038 -4.132 5.336 597 H GLU 78 HN GLU 78 -9.983 -11.769 2.773 598 HA GLU 78 HA GLU 78 -12.124 -10.275 1.402 599 HB2 GLU 78 2HB GLU 78 -13.712 -11.946 1.955 600 HB3 GLU 78 3HB GLU 78 -12.316 -12.777 1.288 601 HG2 GLU 78 2HG GLU 78 -11.578 -13.353 3.543 602 HG3 GLU 78 3HG GLU 78 -12.988 -12.525 4.205 603 H VAL 79 HN VAL 79 -13.648 -9.210 2.594 604 HA VAL 79 HA VAL 79 -13.228 -9.095 5.488 605 HB VAL 79 HB VAL 79 -12.400 -6.996 4.722 606 HG11 VAL 79 1HG1 VAL 79 -13.317 -6.880 2.510 607 HG12 VAL 79 2HG1 VAL 79 -13.793 -5.430 3.396 608 HG13 VAL 79 3HG1 VAL 79 -14.954 -6.735 3.154 609 HG21 VAL 79 3HG2 VAL 79 -13.930 -5.416 5.798 610 HG22 VAL 79 1HG2 VAL 79 -13.742 -6.896 6.737 611 HG23 VAL 79 2HG2 VAL 79 -15.199 -6.641 5.777 612 H SER 80 HN SER 80 -14.855 -10.437 6.047 613 HA SER 80 HA SER 80 -16.943 -11.286 6.332 614 HB2 SER 80 2HB SER 80 -17.732 -8.375 6.080 615 HB3 SER 80 3HB SER 80 -18.672 -9.646 6.862 616 HG SER 80 HG SER 80 -16.060 -9.366 7.762 617 H GLY 81 HN GLY 81 -16.527 -12.155 4.036 618 HA2 GLY 81 2HA GLY 81 -17.525 -12.892 2.125 619 HA3 GLY 81 3HA GLY 81 -18.974 -12.042 2.631 620 H ARG 82 HN ARG 82 -16.266 -10.004 2.394 621 HA ARG 82 HA ARG 82 -17.015 -9.240 -0.360 622 HB2 ARG 82 2HB ARG 82 -15.879 -7.426 1.781 623 HB3 ARG 82 3HB ARG 82 -16.401 -6.948 0.175 624 HG2 ARG 82 2HG ARG 82 -18.696 -7.456 0.732 625 HG3 ARG 82 3HG ARG 82 -18.204 -8.045 2.321 626 HD2 ARG 82 2HD ARG 82 -17.342 -5.810 2.863 627 HD3 ARG 82 3HD ARG 82 -17.876 -5.230 1.288 628 HE ARG 82 HE ARG 82 -19.963 -6.419 2.878 629 HH11 ARG 82 1HH1 ARG 82 -18.206 -3.458 2.221 630 HH12 ARG 82 2HH1 ARG 82 -19.505 -2.426 2.729 631 HH21 ARG 82 1HH2 ARG 82 -21.681 -5.067 3.525 632 HH22 ARG 82 2HH2 ARG 82 -21.479 -3.333 3.463 633 H ILE 83 HN ILE 83 -15.344 -9.086 -1.832 634 HA ILE 83 HA ILE 83 -12.824 -10.197 -0.831 635 HB ILE 83 HB ILE 83 -14.040 -10.134 -3.586 636 HG12 ILE 83 2HG1 ILE 83 -13.619 -12.604 -3.408 637 HG13 ILE 83 3HG1 ILE 83 -13.093 -12.349 -1.752 638 HG21 ILE 83 1HG2 ILE 83 -11.715 -9.552 -3.898 639 HG22 ILE 83 2HG2 ILE 83 -11.989 -11.214 -4.426 640 HG23 ILE 83 3HG2 ILE 83 -11.212 -10.898 -2.874 641 HD11 ILE 83 3HD1 ILE 83 -15.313 -11.557 -1.158 642 HD12 ILE 83 1HD1 ILE 83 -15.377 -13.173 -1.863 643 HD13 ILE 83 2HD1 ILE 83 -15.840 -11.771 -2.828 644 H ILE 84 HN ILE 84 -11.367 -8.780 -0.298 645 HA ILE 84 HA ILE 84 -11.250 -6.173 -1.566 646 HB ILE 84 HB ILE 84 -9.068 -6.751 0.280 647 HG12 ILE 84 2HG1 ILE 84 -11.894 -7.279 1.138 648 HG13 ILE 84 3HG1 ILE 84 -10.428 -8.172 1.539 649 HG21 ILE 84 1HG2 ILE 84 -9.672 -4.681 1.217 650 HG22 ILE 84 2HG2 ILE 84 -11.311 -4.787 0.581 651 HG23 ILE 84 3HG2 ILE 84 -9.950 -4.517 -0.520 652 HD11 ILE 84 3HD1 ILE 84 -9.689 -6.226 2.893 653 HD12 ILE 84 1HD1 ILE 84 -11.168 -6.993 3.477 654 HD13 ILE 84 2HD1 ILE 84 -11.262 -5.472 2.576 655 H HIS 85 HN HIS 85 -9.828 -5.566 -3.039 656 HA HIS 85 HA HIS 85 -7.778 -7.514 -3.878 657 HB2 HIS 85 2HB HIS 85 -9.782 -7.296 -5.393 658 HB3 HIS 85 3HB HIS 85 -9.328 -5.620 -5.662 659 HD1 HIS 85 1HD HIS 85 -8.745 -5.737 -8.092 660 HD2 HIS 85 2HD HIS 85 -6.789 -8.639 -5.834 661 HE1 HIS 85 1HE HIS 85 -7.143 -6.874 -9.674 662 HE2 HIS 85 2HE HIS 85 -6.082 -8.725 -8.326 663 H LEU 86 HN LEU 86 -5.986 -6.633 -2.984 664 HA LEU 86 HA LEU 86 -5.600 -3.757 -3.017 665 HB2 LEU 86 2HB LEU 86 -4.088 -6.028 -1.760 666 HB3 LEU 86 3HB LEU 86 -3.424 -4.408 -1.811 667 HG LEU 86 HG LEU 86 -5.622 -3.693 -0.657 668 HD11 LEU 86 1HD1 LEU 86 -6.674 -5.403 0.716 669 HD12 LEU 86 2HD1 LEU 86 -5.638 -6.636 0.000 670 HD13 LEU 86 3HD1 LEU 86 -6.826 -5.796 -0.997 671 HD21 LEU 86 3HD2 LEU 86 -3.542 -5.338 0.775 672 HD22 LEU 86 1HD2 LEU 86 -4.673 -4.228 1.551 673 HD23 LEU 86 2HD2 LEU 86 -3.463 -3.611 0.424 674 H HIS 87 HN HIS 87 -4.340 -2.653 -4.323 675 HA HIS 87 HA HIS 87 -2.553 -4.114 -6.172 676 HB2 HIS 87 2HB HIS 87 -3.701 -1.335 -6.532 677 HB3 HIS 87 3HB HIS 87 -2.816 -2.277 -7.723 678 HD1 HIS 87 1HD HIS 87 -4.122 -3.958 -9.106 679 HD2 HIS 87 2HD HIS 87 -6.403 -2.128 -6.146 680 HE1 HIS 87 1HE HIS 87 -6.517 -4.507 -9.651 681 HE2 HIS 87 2HE HIS 87 -7.882 -3.450 -7.820 682 H ALA 88 HN ALA 88 -0.457 -3.941 -5.492 683 HA ALA 88 HA ALA 88 0.338 -1.601 -3.946 684 HB1 ALA 88 1HB ALA 88 1.056 -3.794 -3.156 685 HB2 ALA 88 2HB ALA 88 2.436 -2.777 -3.565 686 HB3 ALA 88 3HB ALA 88 1.930 -4.060 -4.664 687 H TRP 89 HN TRP 89 0.837 0.132 -5.059 688 HA TRP 89 HA TRP 89 2.461 -0.165 -7.495 689 HB2 TRP 89 2HB TRP 89 0.660 2.068 -6.548 690 HB3 TRP 89 3HB TRP 89 1.800 2.264 -7.873 691 HD1 TRP 89 1HD TRP 89 -1.464 0.437 -6.992 692 HE1 TRP 89 1HE TRP 89 -2.613 -0.260 -9.192 693 HE3 TRP 89 3HE TRP 89 2.236 1.707 -10.281 694 HZ2 TRP 89 2HZ TRP 89 -2.026 -0.268 -11.951 695 HZ3 TRP 89 3HZ TRP 89 1.862 1.325 -12.682 696 HH2 TRP 89 2HH TRP 89 -0.223 0.358 -13.497 697 H HIS 90 HN HIS 90 4.455 0.715 -7.574 698 HA HIS 90 HA HIS 90 5.570 1.658 -5.065 699 HB2 HIS 90 2HB HIS 90 6.887 0.076 -6.360 700 HB3 HIS 90 3HB HIS 90 6.831 1.130 -7.761 701 HD1 HIS 90 1HD HIS 90 8.707 2.757 -8.026 702 HD2 HIS 90 2HD HIS 90 8.525 1.126 -4.205 703 HE1 HIS 90 1HE HIS 90 10.779 3.549 -6.852 704 HE2 HIS 90 2HE HIS 90 10.791 2.286 -4.677 705 H VAL 91 HN VAL 91 5.721 3.719 -4.544 706 HA VAL 91 HA VAL 91 5.282 5.770 -6.562 707 HB VAL 91 HB VAL 91 5.669 6.047 -3.572 708 HG11 VAL 91 1HG1 VAL 91 4.675 8.032 -5.611 709 HG12 VAL 91 2HG1 VAL 91 6.234 8.084 -4.788 710 HG13 VAL 91 3HG1 VAL 91 4.742 8.289 -3.867 711 HG21 VAL 91 3HG2 VAL 91 3.137 6.041 -5.211 712 HG22 VAL 91 1HG2 VAL 91 3.244 6.376 -3.483 713 HG23 VAL 91 2HG2 VAL 91 3.661 4.776 -4.098 714 HA PRO 92 HA PRO 92 9.811 5.875 -6.778 715 HB2 PRO 92 2HB PRO 92 9.904 7.204 -9.147 716 HB3 PRO 92 3HB PRO 92 9.628 5.464 -9.032 717 HG2 PRO 92 2HG PRO 92 7.656 7.673 -9.440 718 HG3 PRO 92 3HG PRO 92 7.721 6.078 -10.218 719 HD2 PRO 92 2HD PRO 92 6.043 6.667 -8.166 720 HD3 PRO 92 3HD PRO 92 6.697 5.043 -8.450 721 H ASP 93 HN ASP 93 7.480 8.451 -6.843 722 HA ASP 93 HA ASP 93 9.315 10.237 -5.525 723 HB2 ASP 93 2HB ASP 93 9.880 10.597 -7.912 724 HB3 ASP 93 3HB ASP 93 8.200 11.046 -8.212 725 H PHE 94 HN PHE 94 8.317 11.964 -4.509 726 HA PHE 94 HA PHE 94 5.454 12.352 -4.872 727 HB2 PHE 94 2HB PHE 94 4.949 12.154 -2.509 728 HB3 PHE 94 3HB PHE 94 5.685 10.654 -3.056 729 HD1 PHE 94 1HD PHE 94 8.098 10.210 -2.500 730 HD2 PHE 94 2HD PHE 94 5.893 13.419 -0.779 731 HE1 PHE 94 1HE PHE 94 9.764 10.382 -0.698 732 HE2 PHE 94 2HE PHE 94 7.557 13.600 1.023 733 HZ PHE 94 HZ PHE 94 9.493 12.083 1.066 734 H HIS 95 HN HIS 95 4.796 14.450 -4.355 735 HA HIS 95 HA HIS 95 6.993 16.284 -3.659 736 HB2 HIS 95 2HB HIS 95 5.915 16.613 -5.883 737 HB3 HIS 95 3HB HIS 95 4.388 16.916 -5.063 738 HD1 HIS 95 1HD HIS 95 3.891 19.315 -4.674 739 HD2 HIS 95 2HD HIS 95 7.979 18.579 -4.989 740 HE1 HIS 95 1HE HIS 95 5.008 21.568 -4.511 741 HE2 HIS 95 2HE HIS 95 7.481 21.062 -4.471 742 H GLY 96 HN GLY 96 6.958 17.099 -1.681 743 HA2 GLY 96 2HA GLY 96 5.471 18.603 -0.266 744 HA3 GLY 96 3HA GLY 96 4.363 17.239 -0.278 745 H THR 97 HN THR 97 4.611 17.519 2.095 746 HA THR 97 HA THR 97 6.959 16.004 3.033 747 HB THR 97 HB THR 97 5.482 18.172 4.545 748 HG1 THR 97 1HG THR 97 7.958 18.087 3.153 749 HG21 THR 97 3HG2 THR 97 7.888 16.509 5.305 750 HG22 THR 97 1HG2 THR 97 6.290 16.440 6.047 751 HG23 THR 97 2HG2 THR 97 7.277 17.891 6.218 752 H LEU 98 HN LEU 98 6.598 14.244 4.114 753 HA LEU 98 HA LEU 98 4.125 12.996 4.079 754 HB2 LEU 98 2HB LEU 98 6.421 12.342 5.888 755 HB3 LEU 98 3HB LEU 98 5.213 11.265 5.261 756 HG LEU 98 HG LEU 98 7.186 12.652 3.481 757 HD11 LEU 98 1HD1 LEU 98 8.437 10.553 3.468 758 HD12 LEU 98 2HD1 LEU 98 7.354 9.899 4.698 759 HD13 LEU 98 3HD1 LEU 98 8.396 11.270 5.079 760 HD21 LEU 98 3HD2 LEU 98 6.550 10.909 1.905 761 HD22 LEU 98 1HD2 LEU 98 5.141 11.836 2.418 762 HD23 LEU 98 2HD2 LEU 98 5.432 10.230 3.088 763 H GLN 99 HN GLN 99 2.465 13.031 5.382 764 HA GLN 99 HA GLN 99 2.818 13.616 8.222 765 HB2 GLN 99 2HB GLN 99 1.022 15.183 8.316 766 HB3 GLN 99 3HB GLN 99 2.080 15.715 7.013 767 HG2 GLN 99 2HG GLN 99 0.576 14.877 5.360 768 HG3 GLN 99 3HG GLN 99 -0.425 14.105 6.589 769 HE21 GLN 99 1HE2 GLN 99 -2.268 15.210 5.990 770 HE22 GLN 99 2HE2 GLN 99 -2.484 16.896 6.303 771 H ALA 100 HN ALA 100 1.135 12.719 9.531 772 HA ALA 100 HA ALA 100 -0.411 10.628 8.146 773 HB1 ALA 100 1HB ALA 100 0.358 10.682 11.058 774 HB2 ALA 100 2HB ALA 100 1.278 9.868 9.795 775 HB3 ALA 100 3HB ALA 100 -0.362 9.340 10.165 776 H HIS 101 HN HIS 101 -2.550 10.845 8.018 777 HA HIS 101 HA HIS 101 -3.908 12.759 9.764 778 HB2 HIS 101 2HB HIS 101 -4.276 13.037 7.373 779 HB3 HIS 101 3HB HIS 101 -4.777 11.360 7.223 780 HD1 HIS 101 1HD HIS 101 -5.972 14.702 8.448 781 HD2 HIS 101 2HD HIS 101 -7.433 10.848 7.885 782 HE1 HIS 101 1HE HIS 101 -8.469 14.876 8.714 783 HE2 HIS 101 2HE HIS 101 -9.341 12.578 8.150 784 H GLU 102 HN GLU 102 -4.800 9.613 8.330 785 HA GLU 102 HA GLU 102 -6.468 8.943 10.565 786 HB2 GLU 102 2HB GLU 102 -5.732 7.749 7.958 787 HB3 GLU 102 3HB GLU 102 -6.195 6.606 9.225 788 HG2 GLU 102 2HG GLU 102 -7.838 8.878 8.132 789 HG3 GLU 102 3HG GLU 102 -8.139 7.147 7.954 790 H HIS 103 HN HIS 103 -3.193 8.368 9.658 791 HA HIS 103 HA HIS 103 -2.917 6.228 11.635 792 HB2 HIS 103 2HB HIS 103 -0.889 7.190 9.602 793 HB3 HIS 103 3HB HIS 103 -0.789 5.730 10.581 794 HD1 HIS 103 1HD HIS 103 -2.066 3.650 9.735 795 HD2 HIS 103 2HD HIS 103 -2.767 7.069 7.468 796 HE1 HIS 103 1HE HIS 103 -3.300 2.871 7.695 797 HE2 HIS 103 2HE HIS 103 -3.940 4.987 6.485 798 H GLN 104 HN GLN 104 -0.857 6.327 12.992 799 HA GLN 104 HA GLN 104 -0.838 8.998 14.179 800 HB2 GLN 104 2HB GLN 104 -1.362 7.093 15.643 801 HB3 GLN 104 3HB GLN 104 0.198 6.374 15.270 802 HG2 GLN 104 2HG GLN 104 1.304 8.337 16.281 803 HG3 GLN 104 3HG GLN 104 -0.283 8.962 16.727 804 HE21 GLN 104 1HE2 GLN 104 2.144 6.586 17.376 805 HE22 GLN 104 2HE2 GLN 104 1.467 5.986 18.851 806 H ALA 105 HN ALA 105 1.587 6.443 13.620 807 HA ALA 105 HA ALA 105 3.609 8.570 13.439 808 HB1 ALA 105 1HB ALA 105 3.988 5.655 14.128 809 HB2 ALA 105 2HB ALA 105 3.949 6.989 15.279 810 HB3 ALA 105 3HB ALA 105 5.250 6.886 14.095 811 H LEU 106 HN LEU 106 5.176 8.489 11.820 812 HA LEU 106 HA LEU 106 4.585 6.679 9.584 813 HB2 LEU 106 2HB LEU 106 4.368 9.488 9.626 814 HB3 LEU 106 3HB LEU 106 5.844 9.142 8.747 815 HG LEU 106 HG LEU 106 4.581 7.702 7.200 816 HD11 LEU 106 1HD1 LEU 106 2.804 7.010 8.729 817 HD12 LEU 106 2HD1 LEU 106 2.141 7.717 7.254 818 HD13 LEU 106 3HD1 LEU 106 2.175 8.658 8.743 819 HD21 LEU 106 3HD2 LEU 106 4.927 10.052 6.655 820 HD22 LEU 106 1HD2 LEU 106 3.452 10.478 7.523 821 HD23 LEU 106 2HD2 LEU 106 3.363 9.492 6.063 822 H VAL 107 HN VAL 107 6.309 5.503 8.935 823 HA VAL 107 HA VAL 107 8.972 6.381 9.780 824 HB VAL 107 HB VAL 107 8.233 4.988 11.609 825 HG11 VAL 107 1HG1 VAL 107 6.475 3.746 10.483 826 HG12 VAL 107 2HG1 VAL 107 7.592 2.646 11.292 827 HG13 VAL 107 3HG1 VAL 107 7.677 2.863 9.543 828 HG21 VAL 107 3HG2 VAL 107 10.573 4.790 10.955 829 HG22 VAL 107 1HG2 VAL 107 10.162 3.489 9.838 830 HG23 VAL 107 2HG2 VAL 107 9.964 3.256 11.574 831 H TRP 108 HN TRP 108 10.391 6.164 8.241 832 HA TRP 108 HA TRP 108 9.854 4.325 6.053 833 HB2 TRP 108 2HB TRP 108 11.943 5.414 5.051 834 HB3 TRP 108 3HB TRP 108 10.505 6.416 5.202 835 HD1 TRP 108 1HD TRP 108 14.027 5.996 6.653 836 HE1 TRP 108 1HE TRP 108 14.658 8.154 7.910 837 HE3 TRP 108 3HE TRP 108 9.514 8.387 6.455 838 HZ2 TRP 108 2HZ TRP 108 13.398 10.553 8.708 839 HZ3 TRP 108 3HZ TRP 108 9.309 10.608 7.488 840 HH2 TRP 108 2HH TRP 108 11.211 11.669 8.592 841 H CYS 109 HN CYS 109 10.757 2.456 5.864 842 HA CYS 109 HA CYS 109 13.306 1.870 7.146 843 HB2 CYS 109 2HB CYS 109 12.458 -0.207 8.191 844 HB3 CYS 109 3HB CYS 109 11.735 1.238 8.887 845 HG CYS 109 HG CYS 109 9.880 -0.920 8.687 846 H SER 110 HN SER 110 14.177 -0.256 6.404 847 HA SER 110 HA SER 110 13.920 -0.314 3.542 848 HB2 SER 110 2HB SER 110 15.461 -2.249 5.280 849 HB3 SER 110 3HB SER 110 15.777 -1.819 3.598 850 HG SER 110 HG SER 110 16.264 -0.357 5.952 851 HA PRO 111 HA PRO 111 10.911 -3.381 2.721 852 HB2 PRO 111 2HB PRO 111 13.002 -5.034 1.423 853 HB3 PRO 111 3HB PRO 111 11.464 -4.453 0.789 854 HG2 PRO 111 2HG PRO 111 13.855 -3.382 0.112 855 HG3 PRO 111 3HG PRO 111 12.339 -2.466 0.107 856 HD2 PRO 111 2HD PRO 111 14.632 -2.299 1.933 857 HD3 PRO 111 3HD PRO 111 13.345 -1.118 1.630 858 H GLU 112 HN GLU 112 14.052 -4.891 3.524 859 HA GLU 112 HA GLU 112 12.867 -7.280 4.503 860 HB2 GLU 112 2HB GLU 112 15.161 -7.633 5.578 861 HB3 GLU 112 3HB GLU 112 15.093 -7.527 3.826 862 HG2 GLU 112 2HG GLU 112 15.681 -5.085 5.436 863 HG3 GLU 112 3HG GLU 112 16.945 -6.279 5.149 864 H GLU 113 HN GLU 113 13.853 -4.277 6.058 865 HA GLU 113 HA GLU 113 13.457 -5.137 8.727 866 HB2 GLU 113 2HB GLU 113 13.107 -2.333 7.655 867 HB3 GLU 113 3HB GLU 113 13.481 -2.798 9.308 868 HG2 GLU 113 2HG GLU 113 15.645 -3.702 8.495 869 HG3 GLU 113 3HG GLU 113 15.263 -3.059 6.901 870 H ALA 114 HN ALA 114 11.368 -3.766 6.263 871 HA ALA 114 HA ALA 114 9.188 -3.041 7.860 872 HB1 ALA 114 1HB ALA 114 9.492 -2.281 5.550 873 HB2 ALA 114 2HB ALA 114 7.902 -3.004 5.794 874 HB3 ALA 114 3HB ALA 114 9.170 -3.916 4.971 875 H LEU 115 HN LEU 115 9.863 -6.086 6.148 876 HA LEU 115 HA LEU 115 7.340 -7.237 6.784 877 HB2 LEU 115 2HB LEU 115 9.324 -7.792 4.998 878 HB3 LEU 115 3HB LEU 115 9.567 -9.064 6.177 879 HG LEU 115 HG LEU 115 8.088 -9.604 4.169 880 HD11 LEU 115 1HD1 LEU 115 6.542 -10.944 5.473 881 HD12 LEU 115 2HD1 LEU 115 6.925 -10.005 6.917 882 HD13 LEU 115 3HD1 LEU 115 8.164 -11.009 6.163 883 HD21 LEU 115 3HD2 LEU 115 6.054 -8.028 5.733 884 HD22 LEU 115 1HD2 LEU 115 5.802 -8.895 4.219 885 HD23 LEU 115 2HD2 LEU 115 6.829 -7.462 4.255 886 H GLN 116 HN GLN 116 10.239 -6.862 8.585 887 HA GLN 116 HA GLN 116 9.797 -9.106 10.326 888 HB2 GLN 116 2HB GLN 116 11.571 -6.676 10.624 889 HB3 GLN 116 3HB GLN 116 11.571 -8.057 11.714 890 HG2 GLN 116 2HG GLN 116 12.241 -9.504 9.846 891 HG3 GLN 116 3HG GLN 116 12.298 -8.087 8.796 892 HE21 GLN 116 1HE2 GLN 116 13.807 -9.770 11.429 893 HE22 GLN 116 2HE2 GLN 116 15.293 -8.874 11.418 894 H TYR 117 HN TYR 117 8.271 -6.185 9.935 895 HA TYR 117 HA TYR 117 7.649 -5.887 12.783 896 HB2 TYR 117 2HB TYR 117 7.552 -4.041 10.432 897 HB3 TYR 117 3HB TYR 117 6.499 -3.730 11.811 898 HD1 TYR 117 1HD TYR 117 9.966 -3.881 10.642 899 HD2 TYR 117 2HD TYR 117 7.436 -3.057 13.957 900 HE1 TYR 117 1HE TYR 117 11.860 -2.834 11.811 901 HE2 TYR 117 2HE TYR 117 9.320 -2.008 15.142 902 HH TYR 117 HH TYR 117 12.364 -1.360 13.563 903 HA PRO 118 HA PRO 118 3.567 -7.398 12.406 904 HB2 PRO 118 2HB PRO 118 2.029 -5.624 13.768 905 HB3 PRO 118 3HB PRO 118 3.159 -6.729 14.561 906 HG2 PRO 118 2HG PRO 118 3.502 -3.835 13.880 907 HG3 PRO 118 3HG PRO 118 3.959 -4.699 15.360 908 HD2 PRO 118 2HD PRO 118 5.735 -4.076 13.405 909 HD3 PRO 118 3HD PRO 118 5.898 -5.517 14.425 910 H LEU 119 HN LEU 119 3.738 -6.858 10.056 911 HA LEU 119 HA LEU 119 2.057 -4.691 9.120 912 HB2 LEU 119 2HB LEU 119 3.646 -6.864 7.789 913 HB3 LEU 119 3HB LEU 119 2.521 -5.877 6.874 914 HG LEU 119 HG LEU 119 4.928 -4.859 8.393 915 HD11 LEU 119 1HD1 LEU 119 4.424 -5.190 5.437 916 HD12 LEU 119 2HD1 LEU 119 5.563 -6.114 6.418 917 HD13 LEU 119 3HD1 LEU 119 5.823 -4.392 6.153 918 HD21 LEU 119 3HD2 LEU 119 4.442 -2.726 7.318 919 HD22 LEU 119 1HD2 LEU 119 3.097 -3.240 8.337 920 HD23 LEU 119 2HD2 LEU 119 2.992 -3.415 6.586 921 H ALA 120 HN ALA 120 0.132 -5.017 7.903 922 HA ALA 120 HA ALA 120 -1.591 -7.017 8.942 923 HB1 ALA 120 1HB ALA 120 -1.983 -5.172 6.586 924 HB2 ALA 120 2HB ALA 120 -2.412 -4.825 8.262 925 HB3 ALA 120 3HB ALA 120 -3.247 -6.108 7.385 926 HA PRO 121 HA PRO 121 -0.988 -10.540 6.479 927 HB2 PRO 121 2HB PRO 121 -3.551 -11.243 5.738 928 HB3 PRO 121 3HB PRO 121 -2.822 -11.582 7.310 929 HG2 PRO 121 2HG PRO 121 -4.654 -9.358 6.507 930 HG3 PRO 121 3HG PRO 121 -4.656 -10.333 7.991 931 HD2 PRO 121 2HD PRO 121 -3.662 -7.852 7.966 932 HD3 PRO 121 3HD PRO 121 -2.893 -9.136 8.923 933 H ALA 122 HN ALA 122 -2.518 -7.842 4.957 934 HA ALA 122 HA ALA 122 -2.333 -9.126 2.327 935 HB1 ALA 122 1HB ALA 122 -4.397 -7.936 2.844 936 HB2 ALA 122 2HB ALA 122 -3.557 -7.221 1.470 937 HB3 ALA 122 3HB ALA 122 -3.485 -6.443 3.052 938 H ASP 123 HN ASP 123 -0.804 -6.793 4.342 939 HA ASP 123 HA ASP 123 0.640 -5.449 2.253 940 HB2 ASP 123 2HB ASP 123 1.066 -5.456 5.257 941 HB3 ASP 123 3HB ASP 123 1.842 -4.358 4.120 942 H ILE 124 HN ILE 124 1.044 -8.235 4.236 943 HA ILE 124 HA ILE 124 3.847 -8.469 4.182 944 HB ILE 124 HB ILE 124 1.765 -10.643 4.426 945 HG12 ILE 124 2HG1 ILE 124 3.345 -9.201 6.569 946 HG13 ILE 124 3HG1 ILE 124 1.665 -8.859 6.163 947 HG21 ILE 124 1HG2 ILE 124 4.702 -10.709 5.118 948 HG22 ILE 124 2HG2 ILE 124 3.946 -11.532 3.754 949 HG23 ILE 124 3HG2 ILE 124 3.537 -12.003 5.404 950 HD11 ILE 124 3HD1 ILE 124 1.044 -11.118 6.833 951 HD12 ILE 124 1HD1 ILE 124 1.838 -10.248 8.146 952 HD13 ILE 124 2HD1 ILE 124 2.726 -11.466 7.230 953 HA PRO 125 HA PRO 125 3.217 -11.512 0.355 954 HB2 PRO 125 2HB PRO 125 0.914 -10.832 -1.080 955 HB3 PRO 125 3HB PRO 125 1.119 -12.262 -0.058 956 HG2 PRO 125 2HG PRO 125 -0.182 -9.655 0.560 957 HG3 PRO 125 3HG PRO 125 -0.637 -11.292 1.070 958 HD2 PRO 125 2HD PRO 125 0.570 -9.591 2.746 959 HD3 PRO 125 3HD PRO 125 0.929 -11.329 2.775 960 H LEU 126 HN LEU 126 2.043 -8.180 0.348 961 HA LEU 126 HA LEU 126 2.892 -7.623 -2.320 962 HB2 LEU 126 2HB LEU 126 1.724 -6.115 -0.051 963 HB3 LEU 126 3HB LEU 126 2.657 -5.182 -1.207 964 HG LEU 126 HG LEU 126 1.192 -5.711 -2.976 965 HD11 LEU 126 1HD1 LEU 126 -0.666 -7.280 -2.786 966 HD12 LEU 126 2HD1 LEU 126 -0.134 -7.707 -1.160 967 HD13 LEU 126 3HD1 LEU 126 0.889 -8.078 -2.549 968 HD21 LEU 126 3HD2 LEU 126 -0.481 -5.272 -0.512 969 HD22 LEU 126 1HD2 LEU 126 -0.969 -4.926 -2.171 970 HD23 LEU 126 2HD2 LEU 126 0.351 -4.018 -1.433 971 H LEU 127 HN LEU 127 4.140 -6.932 0.922 972 HA LEU 127 HA LEU 127 6.470 -5.608 -0.013 973 HB2 LEU 127 2HB LEU 127 5.411 -5.440 2.289 974 HB3 LEU 127 3HB LEU 127 6.132 -6.997 2.642 975 HG LEU 127 HG LEU 127 7.362 -4.934 3.483 976 HD11 LEU 127 1HD1 LEU 127 8.432 -7.118 3.407 977 HD12 LEU 127 2HD1 LEU 127 9.572 -5.842 2.975 978 HD13 LEU 127 3HD1 LEU 127 8.864 -6.855 1.716 979 HD21 LEU 127 3HD2 LEU 127 8.812 -3.811 1.864 980 HD22 LEU 127 1HD2 LEU 127 7.105 -3.560 1.498 981 HD23 LEU 127 2HD2 LEU 127 8.047 -4.719 0.560 982 H GLU 128 HN GLU 128 5.712 -8.937 0.903 983 HA GLU 128 HA GLU 128 8.170 -10.145 0.818 984 HB2 GLU 128 2HB GLU 128 5.394 -10.990 0.189 985 HB3 GLU 128 3HB GLU 128 6.686 -12.041 -0.374 986 HG2 GLU 128 2HG GLU 128 6.541 -11.117 2.472 987 HG3 GLU 128 3HG GLU 128 5.646 -12.526 1.901 988 H ALA 129 HN ALA 129 6.074 -9.329 -1.945 989 HA ALA 129 HA ALA 129 7.986 -10.420 -3.807 990 HB1 ALA 129 1HB ALA 129 5.604 -8.704 -4.450 991 HB2 ALA 129 2HB ALA 129 5.551 -10.459 -4.253 992 HB3 ALA 129 3HB ALA 129 6.520 -9.745 -5.544 993 H PHE 130 HN PHE 130 7.517 -7.361 -2.266 994 HA PHE 130 HA PHE 130 8.732 -5.810 -4.345 995 HB2 PHE 130 2HB PHE 130 7.186 -4.820 -2.665 996 HB3 PHE 130 3HB PHE 130 8.371 -5.160 -1.408 997 HD1 PHE 130 2HD PHE 130 7.689 -3.162 -4.419 998 HD2 PHE 130 1HD PHE 130 10.255 -3.755 -1.078 999 HE1 PHE 130 2HE PHE 130 8.767 -0.999 -4.867 1000 HE2 PHE 130 1HE PHE 130 11.337 -1.592 -1.521 1001 HZ PHE 130 HZ PHE 130 10.595 -0.212 -3.417 1002 H MET 131 HN MET 131 9.741 -7.099 -1.189 1003 HA MET 131 HA MET 131 12.473 -6.440 -1.550 1004 HB2 MET 131 2HB MET 131 12.918 -7.932 0.329 1005 HB3 MET 131 3HB MET 131 11.541 -6.896 0.673 1006 HG2 MET 131 2HG MET 131 10.033 -8.757 0.139 1007 HG3 MET 131 3HG MET 131 11.433 -9.790 -0.150 1008 HE1 MET 131 3HE MET 131 13.053 -9.986 3.412 1009 HE2 MET 131 1HE MET 131 13.445 -8.839 2.132 1010 HE3 MET 131 2HE MET 131 13.145 -10.530 1.736 1011 H ALA 132 HN ALA 132 10.508 -9.280 -2.416 1012 HA ALA 132 HA ALA 132 12.518 -10.926 -3.396 1013 HB1 ALA 132 1HB ALA 132 9.719 -10.509 -4.479 1014 HB2 ALA 132 2HB ALA 132 10.191 -11.638 -3.204 1015 HB3 ALA 132 3HB ALA 132 10.775 -11.877 -4.850 1016 H LEU 133 HN LEU 133 10.895 -8.165 -4.869 1017 HA LEU 133 HA LEU 133 12.010 -8.488 -7.451 1018 HB2 LEU 133 2HB LEU 133 10.268 -6.642 -6.103 1019 HB3 LEU 133 3HB LEU 133 11.471 -5.753 -7.017 1020 HG LEU 133 HG LEU 133 10.819 -6.985 -9.051 1021 HD11 LEU 133 1HD1 LEU 133 8.769 -8.329 -9.039 1022 HD12 LEU 133 2HD1 LEU 133 8.688 -8.182 -7.282 1023 HD13 LEU 133 3HD1 LEU 133 10.032 -9.040 -8.037 1024 HD21 LEU 133 3HD2 LEU 133 8.679 -5.874 -9.374 1025 HD22 LEU 133 1HD2 LEU 133 9.813 -4.826 -8.522 1026 HD23 LEU 133 2HD2 LEU 133 8.527 -5.641 -7.631 1027 H ARG 134 HN ARG 134 13.034 -6.735 -4.549 1028 HA ARG 134 HA ARG 134 15.285 -5.587 -5.899 1029 HB2 ARG 134 2HB ARG 134 14.433 -5.705 -3.013 1030 HB3 ARG 134 3HB ARG 134 15.966 -4.998 -3.504 1031 HG2 ARG 134 2HG ARG 134 14.805 -3.360 -4.865 1032 HG3 ARG 134 3HG ARG 134 13.253 -4.097 -4.459 1033 HD2 ARG 134 2HD ARG 134 13.778 -2.063 -3.135 1034 HD3 ARG 134 3HD ARG 134 13.503 -3.498 -2.155 1035 HE ARG 134 HE ARG 134 16.180 -3.512 -2.436 1036 HH11 ARG 134 1HH1 ARG 134 14.003 -0.884 -1.593 1037 HH12 ARG 134 2HH1 ARG 134 15.101 -0.189 -0.441 1038 HH21 ARG 134 1HH2 ARG 134 17.629 -2.563 -0.963 1039 HH22 ARG 134 2HH2 ARG 134 17.166 -1.139 -0.089 1040 H ALA 135 HN ALA 135 14.656 -8.618 -4.428 1041 HA ALA 135 HA ALA 135 17.439 -9.158 -3.809 1042 HB1 ALA 135 1HB ALA 135 15.044 -10.991 -3.727 1043 HB2 ALA 135 2HB ALA 135 15.680 -10.061 -2.370 1044 HB3 ALA 135 3HB ALA 135 16.649 -11.346 -3.089 1045 H ALA 136 HN ALA 136 15.073 -9.946 -6.272 1046 HA ALA 136 HA ALA 136 17.011 -11.607 -7.701 1047 HB1 ALA 136 1HB ALA 136 14.737 -12.467 -7.535 1048 HB2 ALA 136 2HB ALA 136 15.148 -12.126 -9.216 1049 HB3 ALA 136 3HB ALA 136 14.115 -11.014 -8.318 1050 H ARG 137 HN ARG 137 15.338 -8.561 -7.881 1051 HA ARG 137 HA ARG 137 15.448 -6.758 -9.216 1052 HB2 ARG 137 2HB ARG 137 18.262 -7.780 -9.506 1053 HB3 ARG 137 3HB ARG 137 17.721 -6.283 -10.256 1054 HG2 ARG 137 2HG ARG 137 17.684 -6.900 -7.309 1055 HG3 ARG 137 3HG ARG 137 18.838 -5.856 -8.143 1056 HD2 ARG 137 2HD ARG 137 15.858 -5.401 -7.998 1057 HD3 ARG 137 3HD ARG 137 17.063 -4.582 -7.006 1058 HE ARG 137 HE ARG 137 17.950 -3.964 -9.425 1059 HH11 ARG 137 1HH1 ARG 137 14.665 -3.929 -8.187 1060 HH12 ARG 137 2HH1 ARG 137 14.148 -2.636 -9.227 1061 HH21 ARG 137 1HH2 ARG 137 17.275 -2.268 -10.788 1062 HH22 ARG 137 2HH2 ARG 137 15.635 -1.688 -10.706 1063 HA PRO 138 HA PRO 138 14.145 -8.994 -12.986 1064 HB2 PRO 138 2HB PRO 138 12.462 -6.542 -13.012 1065 HB3 PRO 138 3HB PRO 138 12.004 -8.225 -13.310 1066 HG2 PRO 138 2HG PRO 138 11.360 -7.103 -11.015 1067 HG3 PRO 138 3HG PRO 138 12.007 -8.757 -11.043 1068 HD2 PRO 138 2HD PRO 138 13.416 -6.193 -10.370 1069 HD3 PRO 138 3HD PRO 138 13.469 -7.757 -9.525 1070 H ALA 139 HN ALA 139 15.751 -8.727 -14.347 1071 HA ALA 139 HA ALA 139 16.152 -6.061 -15.536 1072 HB1 ALA 139 1HB ALA 139 18.025 -6.642 -14.080 1073 HB2 ALA 139 2HB ALA 139 18.527 -6.578 -15.770 1074 HB3 ALA 139 3HB ALA 139 18.270 -8.136 -14.982 1075 H ASP 140 HN ASP 140 14.859 -8.911 -16.088 1076 HA ASP 140 HA ASP 140 15.272 -8.739 -18.950 1077 HB2 ASP 140 2HB ASP 140 17.050 -10.296 -18.255 1078 HB3 ASP 140 3HB ASP 140 15.860 -11.293 -17.424 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -31.233 -15.766 -9.458 2 H2 GLY 1 2H GLY 1 -31.367 -14.095 -9.728 3 H3 GLY 1 3H GLY 1 -30.615 -14.674 -8.319 4 HA2 GLY 1 3HA GLY 1 -29.599 -15.160 -11.060 5 HA3 GLY 1 2HA GLY 1 -29.036 -13.858 -10.019 6 HA PRO 2 HA PRO 2 -26.158 -17.164 -8.822 7 HB2 PRO 2 2HB PRO 2 -24.624 -14.936 -7.706 8 HB3 PRO 2 3HB PRO 2 -24.159 -16.091 -8.959 9 HG2 PRO 2 2HG PRO 2 -24.643 -13.479 -9.495 10 HG3 PRO 2 3HG PRO 2 -24.981 -14.772 -10.660 11 HD2 PRO 2 2HD PRO 2 -26.869 -13.313 -8.848 12 HD3 PRO 2 3HD PRO 2 -27.082 -13.797 -10.545 13 H LEU 3 HN LEU 3 -25.764 -18.043 -6.780 14 HA LEU 3 HA LEU 3 -27.498 -17.201 -4.673 15 HB2 LEU 3 2HB LEU 3 -26.896 -19.559 -5.016 16 HB3 LEU 3 3HB LEU 3 -25.220 -19.189 -4.654 17 HG LEU 3 HG LEU 3 -25.867 -18.563 -2.355 18 HD11 LEU 3 1HD1 LEU 3 -28.105 -19.106 -1.543 19 HD12 LEU 3 2HD1 LEU 3 -28.598 -19.524 -3.184 20 HD13 LEU 3 3HD1 LEU 3 -28.154 -17.863 -2.794 21 HD21 LEU 3 3HD2 LEU 3 -26.756 -21.310 -3.224 22 HD22 LEU 3 1HD2 LEU 3 -26.354 -20.833 -1.573 23 HD23 LEU 3 2HD2 LEU 3 -25.108 -20.824 -2.821 24 H GLY 4 HN GLY 4 -24.019 -17.097 -5.247 25 HA2 GLY 4 2HA GLY 4 -23.805 -15.085 -3.091 26 HA3 GLY 4 3HA GLY 4 -22.509 -16.192 -3.519 27 H SER 5 HN SER 5 -24.120 -13.242 -4.275 28 HA SER 5 HA SER 5 -23.185 -12.713 -6.837 29 HB2 SER 5 2HB SER 5 -23.551 -10.680 -4.626 30 HB3 SER 5 3HB SER 5 -23.634 -10.387 -6.363 31 HG SER 5 HG SER 5 -25.709 -10.591 -5.403 32 H MET 6 HN MET 6 -21.721 -11.862 -3.716 33 HA MET 6 HA MET 6 -19.596 -11.460 -3.060 34 HB2 MET 6 2HB MET 6 -18.894 -12.713 -5.717 35 HB3 MET 6 3HB MET 6 -17.715 -12.268 -4.491 36 HG2 MET 6 2HG MET 6 -18.634 -13.855 -2.951 37 HG3 MET 6 3HG MET 6 -19.957 -14.223 -4.059 38 HE1 MET 6 3HE MET 6 -19.322 -16.822 -3.702 39 HE2 MET 6 1HE MET 6 -17.960 -16.371 -2.678 40 HE3 MET 6 2HE MET 6 -17.719 -17.478 -4.029 41 H LYS 7 HN LYS 7 -19.377 -9.314 -2.896 42 HA LYS 7 HA LYS 7 -19.122 -7.689 -5.294 43 HB2 LYS 7 2HB LYS 7 -19.248 -6.965 -2.358 44 HB3 LYS 7 3HB LYS 7 -19.079 -5.789 -3.653 45 HG2 LYS 7 2HG LYS 7 -21.404 -7.675 -3.320 46 HG3 LYS 7 3HG LYS 7 -21.385 -5.981 -2.828 47 HD2 LYS 7 2HD LYS 7 -20.979 -5.326 -5.165 48 HD3 LYS 7 3HD LYS 7 -21.047 -7.025 -5.640 49 HE2 LYS 7 2HE LYS 7 -23.348 -7.167 -4.869 50 HE3 LYS 7 3HE LYS 7 -23.285 -5.490 -4.327 51 HZ1 LYS 7 3HZ LYS 7 -24.372 -5.623 -6.450 52 HZ2 LYS 7 1HZ LYS 7 -23.047 -6.439 -7.133 53 HZ3 LYS 7 2HZ LYS 7 -22.889 -4.821 -6.635 54 H MET 8 HN MET 8 -17.260 -6.619 -5.866 55 HA MET 8 HA MET 8 -14.836 -7.633 -4.607 56 HB2 MET 8 2HB MET 8 -15.388 -6.348 -7.263 57 HB3 MET 8 3HB MET 8 -13.750 -6.474 -6.637 58 HG2 MET 8 2HG MET 8 -13.919 -8.875 -6.554 59 HG3 MET 8 3HG MET 8 -15.604 -8.810 -7.059 60 HE1 MET 8 3HE MET 8 -11.867 -8.343 -8.086 61 HE2 MET 8 1HE MET 8 -12.499 -6.718 -8.357 62 HE3 MET 8 2HE MET 8 -11.999 -7.709 -9.727 63 H ILE 9 HN ILE 9 -13.613 -6.487 -3.379 64 HA ILE 9 HA ILE 9 -14.065 -3.586 -3.137 65 HB ILE 9 HB ILE 9 -12.797 -5.513 -1.195 66 HG12 ILE 9 2HG1 ILE 9 -15.550 -4.280 -1.199 67 HG13 ILE 9 3HG1 ILE 9 -15.165 -5.988 -1.384 68 HG21 ILE 9 1HG2 ILE 9 -12.680 -3.808 0.400 69 HG22 ILE 9 2HG2 ILE 9 -13.701 -2.727 -0.563 70 HG23 ILE 9 3HG2 ILE 9 -12.059 -3.092 -1.095 71 HD11 ILE 9 3HD1 ILE 9 -14.795 -4.301 1.075 72 HD12 ILE 9 1HD1 ILE 9 -14.229 -5.964 0.912 73 HD13 ILE 9 2HD1 ILE 9 -15.955 -5.606 0.834 74 H GLU 10 HN GLU 10 -12.562 -2.578 -4.367 75 HA GLU 10 HA GLU 10 -9.977 -3.900 -4.731 76 HB2 GLU 10 2HB GLU 10 -11.287 -1.698 -6.344 77 HB3 GLU 10 3HB GLU 10 -9.677 -2.337 -6.649 78 HG2 GLU 10 2HG GLU 10 -11.386 -4.557 -6.540 79 HG3 GLU 10 3HG GLU 10 -12.216 -3.337 -7.505 80 H VAL 11 HN VAL 11 -8.304 -3.184 -3.663 81 HA VAL 11 HA VAL 11 -8.461 -0.495 -2.476 82 HB VAL 11 HB VAL 11 -7.290 -3.026 -1.296 83 HG11 VAL 11 1HG1 VAL 11 -6.831 -1.676 0.708 84 HG12 VAL 11 2HG1 VAL 11 -7.319 -0.226 -0.179 85 HG13 VAL 11 3HG1 VAL 11 -5.898 -1.141 -0.692 86 HG21 VAL 11 3HG2 VAL 11 -9.724 -2.921 -1.173 87 HG22 VAL 11 1HG2 VAL 11 -9.622 -1.333 -0.410 88 HG23 VAL 11 2HG2 VAL 11 -8.999 -2.757 0.427 89 H VAL 12 HN VAL 12 -6.628 0.760 -2.592 90 HA VAL 12 HA VAL 12 -4.371 -0.416 -4.061 91 HB VAL 12 HB VAL 12 -3.846 2.098 -4.532 92 HG11 VAL 12 1HG1 VAL 12 -6.084 0.623 -5.914 93 HG12 VAL 12 2HG1 VAL 12 -4.361 0.454 -6.245 94 HG13 VAL 12 3HG1 VAL 12 -5.180 1.977 -6.593 95 HG21 VAL 12 3HG2 VAL 12 -5.857 3.483 -4.764 96 HG22 VAL 12 1HG2 VAL 12 -5.583 3.020 -3.083 97 HG23 VAL 12 2HG2 VAL 12 -6.822 2.200 -4.033 98 H ALA 13 HN ALA 13 -2.411 -0.374 -3.190 99 HA ALA 13 HA ALA 13 -2.116 0.958 -0.584 100 HB1 ALA 13 1HB ALA 13 -0.716 -1.520 -1.608 101 HB2 ALA 13 2HB ALA 13 -2.053 -1.504 -0.452 102 HB3 ALA 13 3HB ALA 13 -0.501 -0.782 -0.020 103 H ALA 14 HN ALA 14 -0.610 2.491 -0.467 104 HA ALA 14 HA ALA 14 1.146 2.844 -2.798 105 HB1 ALA 14 1HB ALA 14 1.400 5.175 -1.960 106 HB2 ALA 14 2HB ALA 14 0.221 4.804 -0.702 107 HB3 ALA 14 3HB ALA 14 -0.251 4.753 -2.399 108 H ILE 15 HN ILE 15 3.058 1.966 -2.501 109 HA ILE 15 HA ILE 15 4.230 1.915 0.164 110 HB ILE 15 HB ILE 15 5.056 0.621 -2.437 111 HG12 ILE 15 2HG1 ILE 15 3.835 -0.351 0.136 112 HG13 ILE 15 3HG1 ILE 15 3.247 -0.573 -1.507 113 HG21 ILE 15 1HG2 ILE 15 6.418 0.414 0.238 114 HG22 ILE 15 2HG2 ILE 15 7.036 1.307 -1.149 115 HG23 ILE 15 3HG2 ILE 15 6.866 -0.448 -1.231 116 HD11 ILE 15 3HD1 ILE 15 5.058 -2.122 -1.970 117 HD12 ILE 15 1HD1 ILE 15 4.133 -2.634 -0.551 118 HD13 ILE 15 2HD1 ILE 15 5.707 -1.850 -0.339 119 H ILE 16 HN ILE 16 5.156 3.812 0.682 120 HA ILE 16 HA ILE 16 6.363 5.500 -1.324 121 HB ILE 16 HB ILE 16 6.626 5.892 1.644 122 HG12 ILE 16 2HG1 ILE 16 4.204 5.327 0.988 123 HG13 ILE 16 3HG1 ILE 16 4.477 6.808 1.894 124 HG21 ILE 16 1HG2 ILE 16 6.520 8.271 1.032 125 HG22 ILE 16 2HG2 ILE 16 6.334 7.816 -0.663 126 HG23 ILE 16 3HG2 ILE 16 7.824 7.425 0.198 127 HD11 ILE 16 3HD1 ILE 16 4.295 8.103 -0.141 128 HD12 ILE 16 1HD1 ILE 16 2.858 7.118 0.123 129 HD13 ILE 16 2HD1 ILE 16 4.054 6.626 -1.077 130 H GLU 17 HN GLU 17 8.293 4.679 -2.062 131 HA GLU 17 HA GLU 17 10.199 3.811 0.001 132 HB2 GLU 17 2HB GLU 17 9.472 1.931 -1.395 133 HB3 GLU 17 3HB GLU 17 9.977 2.797 -2.838 134 HG2 GLU 17 2HG GLU 17 11.956 2.231 -0.678 135 HG3 GLU 17 3HG GLU 17 11.493 0.957 -1.803 136 H ARG 18 HN ARG 18 11.769 5.114 0.263 137 HA ARG 18 HA ARG 18 12.871 6.614 -1.996 138 HB2 ARG 18 2HB ARG 18 11.293 8.112 -0.862 139 HB3 ARG 18 3HB ARG 18 12.068 7.784 0.680 140 HG2 ARG 18 2HG ARG 18 12.808 9.904 -0.073 141 HG3 ARG 18 3HG ARG 18 14.154 8.775 -0.236 142 HD2 ARG 18 2HD ARG 18 13.406 8.496 -2.661 143 HD3 ARG 18 3HD ARG 18 12.398 9.917 -2.385 144 HE ARG 18 HE ARG 18 14.906 10.638 -1.533 145 HH11 ARG 18 1HH1 ARG 18 13.502 9.528 -4.541 146 HH12 ARG 18 2HH1 ARG 18 14.646 10.371 -5.538 147 HH21 ARG 18 1HH2 ARG 18 16.408 11.746 -2.823 148 HH22 ARG 18 2HH2 ARG 18 16.322 11.624 -4.561 149 H ASP 19 HN ASP 19 15.014 6.437 -2.038 150 HA ASP 19 HA ASP 19 17.181 6.121 -1.449 151 HB2 ASP 19 2HB ASP 19 16.222 6.697 1.373 152 HB3 ASP 19 3HB ASP 19 17.907 6.565 0.881 153 H GLY 20 HN GLY 20 14.998 3.964 -1.226 154 HA2 GLY 20 2HA GLY 20 15.373 1.650 -1.112 155 HA3 GLY 20 3HA GLY 20 16.797 1.943 -0.123 156 H LYS 21 HN LYS 21 14.316 3.828 1.000 157 HA LYS 21 HA LYS 21 13.624 1.825 3.050 158 HB2 LYS 21 2HB LYS 21 13.537 4.801 3.449 159 HB3 LYS 21 3HB LYS 21 13.562 3.546 4.669 160 HG2 LYS 21 2HG LYS 21 15.881 3.686 2.849 161 HG3 LYS 21 3HG LYS 21 15.706 4.985 4.026 162 HD2 LYS 21 2HD LYS 21 15.809 3.493 5.828 163 HD3 LYS 21 3HD LYS 21 15.552 2.086 4.793 164 HE2 LYS 21 2HE LYS 21 17.870 2.175 5.439 165 HE3 LYS 21 3HE LYS 21 17.733 2.541 3.722 166 HZ1 LYS 21 3HZ LYS 21 19.263 4.059 4.699 167 HZ2 LYS 21 1HZ LYS 21 18.174 4.479 5.931 168 HZ3 LYS 21 2HZ LYS 21 17.857 4.935 4.332 169 H ILE 22 HN ILE 22 11.513 1.591 3.617 170 HA ILE 22 HA ILE 22 9.558 2.873 1.844 171 HB ILE 22 HB ILE 22 9.229 0.386 3.537 172 HG12 ILE 22 2HG1 ILE 22 9.770 0.640 0.572 173 HG13 ILE 22 3HG1 ILE 22 10.910 0.054 1.779 174 HG21 ILE 22 1HG2 ILE 22 7.092 1.335 3.129 175 HG22 ILE 22 2HG2 ILE 22 7.274 -0.004 1.988 176 HG23 ILE 22 3HG2 ILE 22 7.489 1.662 1.442 177 HD11 ILE 22 3HD1 ILE 22 9.439 -1.836 2.247 178 HD12 ILE 22 1HD1 ILE 22 9.918 -1.779 0.549 179 HD13 ILE 22 2HD1 ILE 22 8.305 -1.250 1.029 180 H LEU 23 HN LEU 23 7.767 3.863 2.665 181 HA LEU 23 HA LEU 23 7.977 4.869 5.357 182 HB2 LEU 23 2HB LEU 23 7.368 6.308 3.446 183 HB3 LEU 23 3HB LEU 23 5.913 5.366 3.206 184 HG LEU 23 HG LEU 23 5.122 6.102 5.454 185 HD11 LEU 23 1HD1 LEU 23 7.552 7.880 5.331 186 HD12 LEU 23 2HD1 LEU 23 7.276 6.562 6.469 187 HD13 LEU 23 3HD1 LEU 23 6.250 7.997 6.516 188 HD21 LEU 23 3HD2 LEU 23 4.407 8.254 4.730 189 HD22 LEU 23 1HD2 LEU 23 4.534 7.244 3.286 190 HD23 LEU 23 2HD2 LEU 23 5.793 8.425 3.654 191 H LEU 24 HN LEU 24 7.314 3.630 6.932 192 HA LEU 24 HA LEU 24 4.854 2.040 6.631 193 HB2 LEU 24 2HB LEU 24 7.027 1.985 8.726 194 HB3 LEU 24 3HB LEU 24 5.509 1.134 8.920 195 HG LEU 24 HG LEU 24 6.088 -0.086 6.754 196 HD11 LEU 24 1HD1 LEU 24 8.471 -0.230 6.215 197 HD12 LEU 24 2HD1 LEU 24 8.807 1.046 7.387 198 HD13 LEU 24 3HD1 LEU 24 7.837 1.398 5.956 199 HD21 LEU 24 3HD2 LEU 24 7.821 -0.490 9.186 200 HD22 LEU 24 1HD2 LEU 24 7.517 -1.684 7.925 201 HD23 LEU 24 2HD2 LEU 24 6.194 -1.130 8.951 202 H ALA 25 HN ALA 25 2.987 2.692 7.574 203 HA ALA 25 HA ALA 25 3.174 5.008 9.390 204 HB1 ALA 25 1HB ALA 25 0.988 4.408 7.402 205 HB2 ALA 25 2HB ALA 25 2.281 5.581 7.168 206 HB3 ALA 25 3HB ALA 25 1.096 5.822 8.453 207 H GLN 26 HN GLN 26 2.642 4.430 11.372 208 HA GLN 26 HA GLN 26 1.339 1.972 11.956 209 HB2 GLN 26 2HB GLN 26 2.982 2.837 13.490 210 HB3 GLN 26 3HB GLN 26 2.069 4.323 13.708 211 HG2 GLN 26 2HG GLN 26 0.294 3.099 14.820 212 HG3 GLN 26 3HG GLN 26 1.149 1.582 14.550 213 HE21 GLN 26 1HE2 GLN 26 3.765 2.738 15.111 214 HE22 GLN 26 2HE2 GLN 26 3.831 2.962 16.823 215 H ARG 27 HN ARG 27 -0.737 1.711 11.401 216 HA ARG 27 HA ARG 27 -2.682 2.263 13.176 217 HB2 ARG 27 2HB ARG 27 -2.435 4.706 12.465 218 HB3 ARG 27 3HB ARG 27 -3.165 4.224 10.936 219 HG2 ARG 27 2HG ARG 27 -5.079 3.288 12.294 220 HG3 ARG 27 3HG ARG 27 -4.375 4.115 13.684 221 HD2 ARG 27 2HD ARG 27 -4.476 6.230 12.305 222 HD3 ARG 27 3HD ARG 27 -5.465 5.322 11.158 223 HE ARG 27 HE ARG 27 -6.239 5.613 13.986 224 HH11 ARG 27 1HH1 ARG 27 -7.004 5.868 10.556 225 HH12 ARG 27 2HH1 ARG 27 -8.666 6.294 10.847 226 HH21 ARG 27 1HH2 ARG 27 -8.403 6.179 14.344 227 HH22 ARG 27 2HH2 ARG 27 -9.463 6.465 12.995 228 HA PRO 28 HA PRO 28 -4.302 -0.781 10.233 229 HB2 PRO 28 2HB PRO 28 -6.337 -1.487 11.926 230 HB3 PRO 28 3HB PRO 28 -4.719 -2.167 11.987 231 HG2 PRO 28 2HG PRO 28 -5.905 0.003 13.645 232 HG3 PRO 28 3HG PRO 28 -4.883 -1.357 14.149 233 HD2 PRO 28 2HD PRO 28 -3.869 1.096 13.846 234 HD3 PRO 28 3HD PRO 28 -2.943 -0.344 13.379 235 H ALA 29 HN ALA 29 -5.676 1.843 11.850 236 HA ALA 29 HA ALA 29 -6.970 3.548 11.090 237 HB1 ALA 29 1HB ALA 29 -7.940 3.572 8.867 238 HB2 ALA 29 2HB ALA 29 -7.544 1.865 8.660 239 HB3 ALA 29 3HB ALA 29 -6.254 3.059 8.803 240 H GLN 30 HN GLN 30 -8.775 0.738 9.843 241 HA GLN 30 HA GLN 30 -11.127 1.786 11.177 242 HB2 GLN 30 2HB GLN 30 -10.794 -0.585 9.340 243 HB3 GLN 30 3HB GLN 30 -12.333 -0.005 9.964 244 HG2 GLN 30 2HG GLN 30 -11.848 2.194 8.876 245 HG3 GLN 30 3HG GLN 30 -10.447 1.439 8.122 246 HE21 GLN 30 1HE2 GLN 30 -12.809 2.623 6.910 247 HE22 GLN 30 2HE2 GLN 30 -13.523 1.375 5.942 248 H SER 31 HN SER 31 -8.669 -0.033 12.218 249 HA SER 31 HA SER 31 -10.367 -1.692 13.943 250 HB2 SER 31 2HB SER 31 -8.532 -2.873 12.736 251 HB3 SER 31 3HB SER 31 -7.363 -1.845 13.564 252 HG SER 31 HG SER 31 -9.033 -3.862 14.624 253 H ASP 32 HN ASP 32 -9.957 -1.682 16.224 254 HA ASP 32 HA ASP 32 -9.490 1.029 17.134 255 HB2 ASP 32 2HB ASP 32 -10.494 -1.440 18.552 256 HB3 ASP 32 3HB ASP 32 -10.319 0.134 19.324 257 H GLN 33 HN GLN 33 -7.612 -1.678 16.758 258 HA GLN 33 HA GLN 33 -5.960 -1.256 19.113 259 HB2 GLN 33 2HB GLN 33 -4.642 -3.163 18.172 260 HB3 GLN 33 3HB GLN 33 -6.328 -3.540 18.494 261 HG2 GLN 33 2HG GLN 33 -6.846 -3.262 16.126 262 HG3 GLN 33 3HG GLN 33 -5.152 -2.895 15.797 263 HE21 GLN 33 1HE2 GLN 33 -4.952 -4.644 14.397 264 HE22 GLN 33 2HE2 GLN 33 -4.880 -6.279 14.965 265 H ALA 34 HN ALA 34 -3.592 -1.010 18.845 266 HA ALA 34 HA ALA 34 -2.782 0.282 16.346 267 HB1 ALA 34 1HB ALA 34 -3.495 2.099 17.821 268 HB2 ALA 34 2HB ALA 34 -1.755 2.151 17.533 269 HB3 ALA 34 3HB ALA 34 -2.377 1.532 19.063 270 H GLY 35 HN GLY 35 -0.255 0.986 16.875 271 HA2 GLY 35 2HA GLY 35 1.810 0.228 17.768 272 HA3 GLY 35 3HA GLY 35 1.040 -1.284 18.214 273 H LEU 36 HN LEU 36 -0.232 -1.518 15.587 274 HA LEU 36 HA LEU 36 1.862 -2.844 14.183 275 HB2 LEU 36 2HB LEU 36 -0.928 -2.247 13.212 276 HB3 LEU 36 3HB LEU 36 0.138 -3.534 12.679 277 HG LEU 36 HG LEU 36 -1.060 -3.352 15.444 278 HD11 LEU 36 1HD1 LEU 36 -1.886 -4.986 13.056 279 HD12 LEU 36 2HD1 LEU 36 -2.802 -3.683 13.815 280 HD13 LEU 36 3HD1 LEU 36 -2.512 -5.185 14.692 281 HD21 LEU 36 3HD2 LEU 36 0.438 -5.565 14.043 282 HD22 LEU 36 1HD2 LEU 36 -0.339 -5.693 15.622 283 HD23 LEU 36 2HD2 LEU 36 1.023 -4.597 15.396 284 H TRP 37 HN TRP 37 2.557 -2.386 12.047 285 HA TRP 37 HA TRP 37 2.163 0.410 11.201 286 HB2 TRP 37 2HB TRP 37 4.491 -1.431 10.584 287 HB3 TRP 37 3HB TRP 37 4.334 0.242 10.063 288 HD1 TRP 37 1HD TRP 37 5.015 -1.865 13.184 289 HE1 TRP 37 1HE TRP 37 6.106 -0.378 14.973 290 HE3 TRP 37 3HE TRP 37 4.568 2.653 10.833 291 HZ2 TRP 37 2HZ TRP 37 6.705 2.366 15.331 292 HZ3 TRP 37 3HZ TRP 37 5.428 4.661 11.969 293 HH2 TRP 37 2HH TRP 37 6.473 4.519 14.170 294 H GLU 38 HN GLU 38 1.593 0.798 9.070 295 HA GLU 38 HA GLU 38 1.217 -1.495 7.310 296 HB2 GLU 38 2HB GLU 38 -1.032 0.385 8.072 297 HB3 GLU 38 3HB GLU 38 -1.109 -0.795 6.776 298 HG2 GLU 38 2HG GLU 38 -2.112 -2.019 8.367 299 HG3 GLU 38 3HG GLU 38 -0.447 -2.426 8.768 300 H PHE 39 HN PHE 39 0.575 -0.775 5.072 301 HA PHE 39 HA PHE 39 2.104 1.590 4.362 302 HB2 PHE 39 2HB PHE 39 0.552 -0.345 2.621 303 HB3 PHE 39 3HB PHE 39 1.563 0.960 2.021 304 HD1 PHE 39 2HD PHE 39 4.045 0.879 3.066 305 HD2 PHE 39 1HD PHE 39 1.404 -2.411 2.575 306 HE1 PHE 39 2HE PHE 39 5.953 -0.651 3.072 307 HE2 PHE 39 1HE PHE 39 3.303 -3.942 2.571 308 HZ PHE 39 HZ PHE 39 5.598 -3.078 2.825 309 H ALA 40 HN ALA 40 1.184 3.274 2.952 310 HA ALA 40 HA ALA 40 -1.460 4.034 3.905 311 HB1 ALA 40 1HB ALA 40 0.349 5.691 3.963 312 HB2 ALA 40 2HB ALA 40 -0.983 6.213 2.932 313 HB3 ALA 40 3HB ALA 40 0.498 5.583 2.209 314 H GLY 41 HN GLY 41 -2.806 5.255 2.102 315 HA2 GLY 41 2HA GLY 41 -2.950 5.010 -0.481 316 HA3 GLY 41 3HA GLY 41 -3.115 3.308 -0.063 317 H GLY 42 HN GLY 42 -5.175 2.846 -0.524 318 HA2 GLY 42 2HA GLY 42 -7.254 3.533 1.156 319 HA3 GLY 42 3HA GLY 42 -7.309 4.706 -0.152 320 H LYS 43 HN LYS 43 -9.131 4.060 -1.132 321 HA LYS 43 HA LYS 43 -9.201 1.312 -2.162 322 HB2 LYS 43 2HB LYS 43 -10.771 1.254 -0.403 323 HB3 LYS 43 3HB LYS 43 -11.401 2.846 -0.791 324 HG2 LYS 43 2HG LYS 43 -12.598 2.027 -2.642 325 HG3 LYS 43 3HG LYS 43 -11.715 0.499 -2.636 326 HD2 LYS 43 2HD LYS 43 -12.841 -0.287 -0.752 327 HD3 LYS 43 3HD LYS 43 -13.357 1.329 -0.270 328 HE2 LYS 43 2HE LYS 43 -14.311 0.007 -2.795 329 HE3 LYS 43 3HE LYS 43 -15.137 -0.193 -1.250 330 HZ1 LYS 43 3HZ LYS 43 -16.139 1.584 -2.529 331 HZ2 LYS 43 1HZ LYS 43 -14.653 2.391 -2.651 332 HZ3 LYS 43 2HZ LYS 43 -15.407 2.216 -1.146 333 H VAL 44 HN VAL 44 -10.415 1.050 -4.144 334 HA VAL 44 HA VAL 44 -10.045 3.418 -5.830 335 HB VAL 44 HB VAL 44 -10.470 0.530 -6.631 336 HG11 VAL 44 1HG1 VAL 44 -9.634 2.904 -8.294 337 HG12 VAL 44 2HG1 VAL 44 -11.220 2.134 -8.324 338 HG13 VAL 44 3HG1 VAL 44 -9.797 1.239 -8.857 339 HG21 VAL 44 3HG2 VAL 44 -8.096 0.524 -7.199 340 HG22 VAL 44 1HG2 VAL 44 -8.348 0.830 -5.482 341 HG23 VAL 44 2HG2 VAL 44 -7.938 2.162 -6.564 342 H GLU 45 HN GLU 45 -11.849 4.612 -6.104 343 HA GLU 45 HA GLU 45 -14.445 3.349 -6.005 344 HB2 GLU 45 2HB GLU 45 -13.640 6.193 -6.642 345 HB3 GLU 45 3HB GLU 45 -15.300 5.629 -6.477 346 HG2 GLU 45 2HG GLU 45 -13.185 5.710 -4.341 347 HG3 GLU 45 3HG GLU 45 -14.628 6.717 -4.453 348 HA PRO 46 HA PRO 46 -14.715 2.081 -10.172 349 HB2 PRO 46 2HB PRO 46 -17.333 2.974 -10.684 350 HB3 PRO 46 3HB PRO 46 -16.864 1.387 -10.073 351 HG2 PRO 46 2HG PRO 46 -17.851 3.772 -8.602 352 HG3 PRO 46 3HG PRO 46 -18.107 2.051 -8.261 353 HD2 PRO 46 2HD PRO 46 -16.405 3.529 -6.808 354 HD3 PRO 46 3HD PRO 46 -16.061 1.828 -7.193 355 H ASP 47 HN ASP 47 -15.894 5.315 -9.418 356 HA ASP 47 HA ASP 47 -15.711 6.202 -12.136 357 HB2 ASP 47 2HB ASP 47 -16.120 7.805 -9.611 358 HB3 ASP 47 3HB ASP 47 -16.272 8.434 -11.247 359 H GLU 48 HN GLU 48 -13.296 5.628 -9.964 360 HA GLU 48 HA GLU 48 -11.616 7.612 -11.324 361 HB2 GLU 48 2HB GLU 48 -10.339 8.034 -9.296 362 HB3 GLU 48 3HB GLU 48 -12.030 8.433 -9.069 363 HG2 GLU 48 2HG GLU 48 -12.307 6.243 -7.914 364 HG3 GLU 48 3HG GLU 48 -10.549 6.069 -7.981 365 H SER 49 HN SER 49 -9.197 7.061 -10.828 366 HA SER 49 HA SER 49 -8.914 4.270 -11.690 367 HB2 SER 49 2HB SER 49 -8.236 6.114 -13.273 368 HB3 SER 49 3HB SER 49 -6.950 6.525 -12.138 369 HG SER 49 HG SER 49 -7.313 4.079 -13.538 370 H GLN 50 HN GLN 50 -6.790 3.221 -11.133 371 HA GLN 50 HA GLN 50 -6.511 3.061 -8.349 372 HB2 GLN 50 2HB GLN 50 -4.599 2.141 -10.502 373 HB3 GLN 50 3HB GLN 50 -4.511 1.671 -8.812 374 HG2 GLN 50 2HG GLN 50 -6.782 0.681 -9.042 375 HG3 GLN 50 3HG GLN 50 -6.690 1.014 -10.772 376 HE21 GLN 50 1HE2 GLN 50 -6.779 -1.158 -11.328 377 HE22 GLN 50 2HE2 GLN 50 -5.441 -2.235 -11.069 378 H ARG 51 HN ARG 51 -4.211 4.401 -10.744 379 HA ARG 51 HA ARG 51 -2.390 5.399 -8.841 380 HB2 ARG 51 2HB ARG 51 -2.912 6.581 -11.575 381 HB3 ARG 51 3HB ARG 51 -1.450 6.749 -10.615 382 HG2 ARG 51 2HG ARG 51 -1.084 4.310 -10.825 383 HG3 ARG 51 3HG ARG 51 -2.479 4.232 -11.904 384 HD2 ARG 51 2HD ARG 51 -1.326 5.931 -13.350 385 HD3 ARG 51 3HD ARG 51 0.102 5.723 -12.337 386 HE ARG 51 HE ARG 51 -1.049 3.349 -13.605 387 HH11 ARG 51 1HH1 ARG 51 1.547 5.711 -13.466 388 HH12 ARG 51 2HH1 ARG 51 2.596 4.796 -14.507 389 HH21 ARG 51 1HH2 ARG 51 0.322 2.165 -14.965 390 HH22 ARG 51 2HH2 ARG 51 1.903 2.778 -15.355 391 H GLN 52 HN GLN 52 -5.377 6.667 -10.110 392 HA GLN 52 HA GLN 52 -4.943 9.376 -9.332 393 HB2 GLN 52 2HB GLN 52 -6.477 9.024 -11.101 394 HB3 GLN 52 3HB GLN 52 -7.359 7.799 -10.202 395 HG2 GLN 52 2HG GLN 52 -8.236 9.472 -8.709 396 HG3 GLN 52 3HG GLN 52 -7.283 10.724 -9.503 397 HE21 GLN 52 1HE2 GLN 52 -9.104 11.922 -10.030 398 HE22 GLN 52 2HE2 GLN 52 -10.212 11.424 -11.262 399 H ALA 53 HN ALA 53 -6.751 6.638 -7.996 400 HA ALA 53 HA ALA 53 -7.836 7.922 -5.770 401 HB1 ALA 53 1HB ALA 53 -8.178 5.710 -4.853 402 HB2 ALA 53 2HB ALA 53 -7.004 5.031 -5.978 403 HB3 ALA 53 3HB ALA 53 -8.521 5.695 -6.584 404 H LEU 54 HN LEU 54 -4.773 6.144 -6.120 405 HA LEU 54 HA LEU 54 -3.918 6.432 -3.466 406 HB2 LEU 54 2HB LEU 54 -2.441 6.041 -6.048 407 HB3 LEU 54 3HB LEU 54 -1.582 6.229 -4.532 408 HG LEU 54 HG LEU 54 -3.544 4.036 -5.211 409 HD11 LEU 54 1HD1 LEU 54 -1.599 2.578 -5.029 410 HD12 LEU 54 2HD1 LEU 54 -0.567 3.979 -4.740 411 HD13 LEU 54 3HD1 LEU 54 -1.375 3.783 -6.295 412 HD21 LEU 54 3HD2 LEU 54 -2.066 4.665 -2.668 413 HD22 LEU 54 1HD2 LEU 54 -2.807 3.104 -3.010 414 HD23 LEU 54 2HD2 LEU 54 -3.806 4.553 -2.904 415 H VAL 55 HN VAL 55 -3.423 8.494 -6.292 416 HA VAL 55 HA VAL 55 -1.592 10.261 -5.077 417 HB VAL 55 HB VAL 55 -3.431 10.627 -7.442 418 HG11 VAL 55 1HG1 VAL 55 -2.226 12.691 -7.949 419 HG12 VAL 55 2HG1 VAL 55 -1.318 12.544 -6.446 420 HG13 VAL 55 3HG1 VAL 55 -3.059 12.818 -6.399 421 HG21 VAL 55 3HG2 VAL 55 -1.359 10.484 -8.714 422 HG22 VAL 55 1HG2 VAL 55 -1.570 9.057 -7.700 423 HG23 VAL 55 2HG2 VAL 55 -0.437 10.321 -7.218 424 H ARG 56 HN ARG 56 -5.147 10.375 -5.364 425 HA ARG 56 HA ARG 56 -5.314 12.957 -4.177 426 HB2 ARG 56 2HB ARG 56 -7.724 12.621 -4.187 427 HB3 ARG 56 3HB ARG 56 -7.019 12.182 -5.733 428 HG2 ARG 56 2HG ARG 56 -8.371 10.403 -5.509 429 HG3 ARG 56 3HG ARG 56 -7.028 9.777 -4.549 430 HD2 ARG 56 2HD ARG 56 -9.027 9.444 -3.308 431 HD3 ARG 56 3HD ARG 56 -8.131 10.736 -2.527 432 HE ARG 56 HE ARG 56 -10.084 11.648 -4.433 433 HH11 ARG 56 1HH1 ARG 56 -9.565 10.672 -1.109 434 HH12 ARG 56 2HH1 ARG 56 -10.876 11.642 -0.499 435 HH21 ARG 56 1HH2 ARG 56 -11.808 12.918 -3.631 436 HH22 ARG 56 2HH2 ARG 56 -12.151 12.920 -1.927 437 H GLU 57 HN GLU 57 -5.741 9.663 -2.938 438 HA GLU 57 HA GLU 57 -6.465 10.400 -0.336 439 HB2 GLU 57 2HB GLU 57 -5.072 7.922 -1.354 440 HB3 GLU 57 3HB GLU 57 -5.618 8.116 0.307 441 HG2 GLU 57 2HG GLU 57 -7.385 8.247 -2.120 442 HG3 GLU 57 3HG GLU 57 -7.198 6.846 -1.064 443 H LEU 58 HN LEU 58 -3.211 9.763 -1.672 444 HA LEU 58 HA LEU 58 -1.919 10.071 0.838 445 HB2 LEU 58 2HB LEU 58 -0.681 10.600 -1.847 446 HB3 LEU 58 3HB LEU 58 0.155 10.229 -0.358 447 HG LEU 58 HG LEU 58 -1.506 8.370 -2.036 448 HD11 LEU 58 1HD1 LEU 58 0.773 8.717 -2.788 449 HD12 LEU 58 2HD1 LEU 58 0.566 7.086 -2.147 450 HD13 LEU 58 3HD1 LEU 58 1.378 8.318 -1.180 451 HD21 LEU 58 3HD2 LEU 58 -0.312 7.840 0.679 452 HD22 LEU 58 1HD2 LEU 58 -1.075 6.644 -0.367 453 HD23 LEU 58 2HD2 LEU 58 -2.031 7.961 0.311 454 H ARG 59 HN ARG 59 -2.747 12.341 -1.722 455 HA ARG 59 HA ARG 59 -1.464 14.608 -0.772 456 HB2 ARG 59 2HB ARG 59 -2.556 14.694 -2.888 457 HB3 ARG 59 3HB ARG 59 -4.108 14.264 -2.181 458 HG2 ARG 59 2HG ARG 59 -4.265 16.404 -1.095 459 HG3 ARG 59 3HG ARG 59 -2.639 16.837 -1.630 460 HD2 ARG 59 2HD ARG 59 -3.331 16.927 -3.906 461 HD3 ARG 59 3HD ARG 59 -4.886 16.187 -3.528 462 HE ARG 59 HE ARG 59 -5.340 18.279 -2.212 463 HH11 ARG 59 1HH1 ARG 59 -3.002 18.329 -4.820 464 HH12 ARG 59 2HH1 ARG 59 -3.366 19.967 -5.288 465 HH21 ARG 59 1HH2 ARG 59 -5.812 20.428 -2.801 466 HH22 ARG 59 2HH2 ARG 59 -4.961 21.169 -4.125 467 H GLU 60 HN GLU 60 -4.342 13.013 0.384 468 HA GLU 60 HA GLU 60 -4.945 15.221 2.177 469 HB2 GLU 60 2HB GLU 60 -6.397 12.598 1.815 470 HB3 GLU 60 3HB GLU 60 -6.942 13.945 2.805 471 HG2 GLU 60 2HG GLU 60 -6.649 15.214 0.471 472 HG3 GLU 60 3HG GLU 60 -7.000 13.595 -0.119 473 H GLU 61 HN GLU 61 -3.867 11.860 2.356 474 HA GLU 61 HA GLU 61 -3.969 11.962 5.254 475 HB2 GLU 61 2HB GLU 61 -3.178 9.699 3.423 476 HB3 GLU 61 3HB GLU 61 -3.352 9.593 5.171 477 HG2 GLU 61 2HG GLU 61 -5.504 10.143 3.165 478 HG3 GLU 61 3HG GLU 61 -5.300 8.703 4.163 479 H LEU 62 HN LEU 62 -1.525 11.793 2.694 480 HA LEU 62 HA LEU 62 0.505 11.654 4.801 481 HB2 LEU 62 2HB LEU 62 0.797 11.241 1.830 482 HB3 LEU 62 3HB LEU 62 2.068 11.038 3.022 483 HG LEU 62 HG LEU 62 -0.426 9.361 2.720 484 HD11 LEU 62 1HD1 LEU 62 1.205 7.567 2.320 485 HD12 LEU 62 2HD1 LEU 62 2.510 8.750 2.416 486 HD13 LEU 62 3HD1 LEU 62 1.317 8.856 1.121 487 HD21 LEU 62 3HD2 LEU 62 0.055 9.682 5.092 488 HD22 LEU 62 1HD2 LEU 62 1.730 9.192 4.830 489 HD23 LEU 62 2HD2 LEU 62 0.422 8.032 4.590 490 H GLY 63 HN GLY 63 -0.838 13.849 2.444 491 HA2 GLY 63 2HA GLY 63 -0.502 16.147 2.487 492 HA3 GLY 63 3HA GLY 63 0.876 15.914 3.559 493 H ILE 64 HN ILE 64 0.821 13.896 0.803 494 HA ILE 64 HA ILE 64 2.781 15.653 -0.522 495 HB ILE 64 HB ILE 64 4.049 13.690 -1.229 496 HG12 ILE 64 2HG1 ILE 64 2.187 12.078 0.536 497 HG13 ILE 64 3HG1 ILE 64 2.150 12.088 -1.224 498 HG21 ILE 64 1HG2 ILE 64 3.633 13.733 1.754 499 HG22 ILE 64 2HG2 ILE 64 4.700 14.799 0.842 500 HG23 ILE 64 3HG2 ILE 64 5.037 13.065 0.916 501 HD11 ILE 64 3HD1 ILE 64 3.324 10.140 -0.518 502 HD12 ILE 64 1HD1 ILE 64 4.364 11.083 0.553 503 HD13 ILE 64 2HD1 ILE 64 4.507 11.262 -1.196 504 H GLU 65 HN GLU 65 2.688 15.811 -2.715 505 HA GLU 65 HA GLU 65 0.458 14.576 -4.119 506 HB2 GLU 65 2HB GLU 65 2.677 16.329 -5.210 507 HB3 GLU 65 3HB GLU 65 1.182 15.903 -6.031 508 HG2 GLU 65 2HG GLU 65 1.307 17.477 -3.480 509 HG3 GLU 65 3HG GLU 65 1.255 18.204 -5.083 510 H ALA 66 HN ALA 66 0.812 12.445 -4.469 511 HA ALA 66 HA ALA 66 3.513 11.483 -4.850 512 HB1 ALA 66 1HB ALA 66 0.927 9.944 -4.739 513 HB2 ALA 66 2HB ALA 66 1.956 10.313 -3.355 514 HB3 ALA 66 3HB ALA 66 2.555 9.273 -4.648 515 H THR 67 HN THR 67 4.276 10.370 -6.594 516 HA THR 67 HA THR 67 2.695 10.542 -9.073 517 HB THR 67 HB THR 67 5.705 10.311 -8.790 518 HG1 THR 67 1HG THR 67 5.733 12.435 -8.717 519 HG21 THR 67 3HG2 THR 67 5.746 10.827 -11.176 520 HG22 THR 67 1HG2 THR 67 3.984 10.895 -11.202 521 HG23 THR 67 2HG2 THR 67 4.800 9.366 -10.874 522 H VAL 68 HN VAL 68 1.732 8.607 -9.365 523 HA VAL 68 HA VAL 68 3.068 6.182 -8.420 524 HB VAL 68 HB VAL 68 0.302 6.454 -9.610 525 HG11 VAL 68 1HG1 VAL 68 1.577 4.254 -7.994 526 HG12 VAL 68 2HG1 VAL 68 1.176 4.197 -9.710 527 HG13 VAL 68 3HG1 VAL 68 -0.109 4.300 -8.508 528 HG21 VAL 68 3HG2 VAL 68 0.477 7.813 -7.594 529 HG22 VAL 68 1HG2 VAL 68 1.119 6.430 -6.706 530 HG23 VAL 68 2HG2 VAL 68 -0.536 6.396 -7.313 531 H GLY 69 HN GLY 69 4.128 4.829 -9.790 532 HA2 GLY 69 2HA GLY 69 3.374 4.476 -12.504 533 HA3 GLY 69 3HA GLY 69 4.725 5.582 -12.389 534 H GLU 70 HN GLU 70 3.688 2.352 -11.259 535 HA GLU 70 HA GLU 70 5.336 0.683 -12.332 536 HB2 GLU 70 2HB GLU 70 7.303 0.310 -10.860 537 HB3 GLU 70 3HB GLU 70 7.383 1.801 -11.779 538 HG2 GLU 70 2HG GLU 70 6.640 3.012 -9.732 539 HG3 GLU 70 3HG GLU 70 6.787 1.489 -8.850 540 H TYR 71 HN TYR 71 3.991 -0.890 -11.901 541 HA TYR 71 HA TYR 71 2.674 -1.156 -9.353 542 HB2 TYR 71 2HB TYR 71 1.655 -1.570 -11.631 543 HB3 TYR 71 3HB TYR 71 2.612 -3.040 -11.715 544 HD1 TYR 71 1HD TYR 71 0.719 -1.610 -8.840 545 HD2 TYR 71 2HD TYR 71 1.060 -4.763 -11.673 546 HE1 TYR 71 1HE TYR 71 -1.115 -2.803 -7.723 547 HE2 TYR 71 2HE TYR 71 -0.766 -5.969 -10.556 548 HH TYR 71 HH TYR 71 -1.946 -6.071 -8.557 549 H VAL 72 HN VAL 72 3.216 -2.478 -7.695 550 HA VAL 72 HA VAL 72 5.594 -4.148 -8.068 551 HB VAL 72 HB VAL 72 4.283 -3.101 -5.561 552 HG11 VAL 72 1HG1 VAL 72 5.187 -5.300 -5.097 553 HG12 VAL 72 2HG1 VAL 72 6.200 -4.061 -4.352 554 HG13 VAL 72 3HG1 VAL 72 6.727 -4.850 -5.839 555 HG21 VAL 72 3HG2 VAL 72 5.499 -1.414 -6.799 556 HG22 VAL 72 1HG2 VAL 72 6.914 -2.464 -6.892 557 HG23 VAL 72 2HG2 VAL 72 6.383 -1.835 -5.331 558 H ALA 73 HN ALA 73 2.679 -4.444 -5.989 559 HA ALA 73 HA ALA 73 2.635 -7.299 -6.697 560 HB1 ALA 73 1HB ALA 73 2.568 -7.985 -4.410 561 HB2 ALA 73 2HB ALA 73 2.533 -6.311 -3.859 562 HB3 ALA 73 3HB ALA 73 3.977 -6.950 -4.640 563 H SER 74 HN SER 74 0.750 -8.320 -5.244 564 HA SER 74 HA SER 74 -1.585 -6.718 -4.962 565 HB2 SER 74 2HB SER 74 -2.904 -7.970 -6.720 566 HB3 SER 74 3HB SER 74 -1.719 -6.830 -7.356 567 HG SER 74 HG SER 74 -0.878 -9.461 -6.950 568 H HIS 75 HN HIS 75 -3.006 -7.719 -3.614 569 HA HIS 75 HA HIS 75 -2.759 -10.622 -3.266 570 HB2 HIS 75 2HB HIS 75 -1.444 -9.503 -1.468 571 HB3 HIS 75 3HB HIS 75 -2.908 -8.671 -0.953 572 HD1 HIS 75 1HD HIS 75 -1.464 -12.162 -1.199 573 HD2 HIS 75 2HD HIS 75 -4.527 -10.114 0.742 574 HE1 HIS 75 1HE HIS 75 -2.427 -13.789 0.463 575 HE2 HIS 75 2HE HIS 75 -4.335 -12.565 1.569 576 H GLN 76 HN GLN 76 -4.647 -11.620 -3.236 577 HA GLN 76 HA GLN 76 -7.074 -10.002 -2.939 578 HB2 GLN 76 2HB GLN 76 -6.436 -11.481 -5.052 579 HB3 GLN 76 3HB GLN 76 -7.118 -12.761 -4.057 580 HG2 GLN 76 2HG GLN 76 -9.201 -11.576 -3.881 581 HG3 GLN 76 3HG GLN 76 -8.517 -10.216 -4.764 582 HE21 GLN 76 1HE2 GLN 76 -9.703 -13.476 -5.000 583 HE22 GLN 76 2HE2 GLN 76 -9.862 -13.509 -6.719 584 H ARG 77 HN ARG 77 -8.519 -10.489 -1.399 585 HA ARG 77 HA ARG 77 -8.502 -13.038 -0.036 586 HB2 ARG 77 2HB ARG 77 -8.204 -12.124 2.203 587 HB3 ARG 77 3HB ARG 77 -6.786 -11.783 1.224 588 HG2 ARG 77 2HG ARG 77 -7.375 -9.503 1.004 589 HG3 ARG 77 3HG ARG 77 -8.992 -9.793 1.649 590 HD2 ARG 77 2HD ARG 77 -6.469 -10.263 3.220 591 HD3 ARG 77 3HD ARG 77 -7.359 -8.741 3.256 592 HE ARG 77 HE ARG 77 -8.890 -11.141 3.872 593 HH11 ARG 77 1HH1 ARG 77 -7.066 -8.426 5.126 594 HH12 ARG 77 2HH1 ARG 77 -7.800 -8.476 6.699 595 HH21 ARG 77 1HH2 ARG 77 -9.871 -11.228 5.942 596 HH22 ARG 77 2HH2 ARG 77 -9.416 -10.071 7.162 597 H GLU 78 HN GLU 78 -10.300 -12.783 1.848 598 HA GLU 78 HA GLU 78 -12.447 -11.206 0.588 599 HB2 GLU 78 2HB GLU 78 -14.023 -12.874 1.020 600 HB3 GLU 78 3HB GLU 78 -12.609 -13.776 0.497 601 HG2 GLU 78 2HG GLU 78 -12.068 -14.369 2.744 602 HG3 GLU 78 3HG GLU 78 -13.323 -13.303 3.374 603 H VAL 79 HN VAL 79 -13.961 -10.212 1.922 604 HA VAL 79 HA VAL 79 -13.420 -10.271 4.801 605 HB VAL 79 HB VAL 79 -12.623 -8.120 4.164 606 HG11 VAL 79 1HG1 VAL 79 -13.609 -7.904 1.974 607 HG12 VAL 79 2HG1 VAL 79 -13.979 -6.481 2.947 608 HG13 VAL 79 3HG1 VAL 79 -15.213 -7.715 2.688 609 HG21 VAL 79 3HG2 VAL 79 -13.904 -8.135 6.206 610 HG22 VAL 79 1HG2 VAL 79 -15.396 -7.861 5.305 611 HG23 VAL 79 2HG2 VAL 79 -14.153 -6.611 5.353 612 H SER 80 HN SER 80 -15.020 -11.684 5.257 613 HA SER 80 HA SER 80 -17.086 -12.601 5.465 614 HB2 SER 80 2HB SER 80 -17.299 -10.531 6.860 615 HB3 SER 80 3HB SER 80 -18.008 -9.715 5.469 616 HG SER 80 HG SER 80 -19.830 -10.673 5.854 617 H GLY 81 HN GLY 81 -16.588 -13.175 3.056 618 HA2 GLY 81 2HA GLY 81 -17.780 -13.882 1.219 619 HA3 GLY 81 3HA GLY 81 -19.088 -12.806 1.672 620 H ARG 82 HN ARG 82 -16.912 -10.572 1.730 621 HA ARG 82 HA ARG 82 -17.199 -10.004 -1.128 622 HB2 ARG 82 2HB ARG 82 -16.530 -8.176 1.186 623 HB3 ARG 82 3HB ARG 82 -16.615 -7.661 -0.496 624 HG2 ARG 82 2HG ARG 82 -18.982 -8.540 -0.502 625 HG3 ARG 82 3HG ARG 82 -18.839 -8.666 1.250 626 HD2 ARG 82 2HD ARG 82 -18.471 -6.298 1.448 627 HD3 ARG 82 3HD ARG 82 -18.383 -6.124 -0.308 628 HE ARG 82 HE ARG 82 -20.854 -7.285 0.442 629 HH11 ARG 82 1HH1 ARG 82 -19.185 -4.191 0.524 630 HH12 ARG 82 2HH1 ARG 82 -20.658 -3.273 0.374 631 HH21 ARG 82 1HH2 ARG 82 -22.769 -6.052 0.224 632 HH22 ARG 82 2HH2 ARG 82 -22.666 -4.314 0.203 633 H ILE 83 HN ILE 83 -15.500 -9.720 -2.484 634 HA ILE 83 HA ILE 83 -12.981 -10.788 -1.482 635 HB ILE 83 HB ILE 83 -14.114 -10.433 -4.247 636 HG12 ILE 83 2HG1 ILE 83 -13.626 -12.880 -4.370 637 HG13 ILE 83 3HG1 ILE 83 -13.129 -12.832 -2.684 638 HG21 ILE 83 1HG2 ILE 83 -11.805 -9.738 -4.415 639 HG22 ILE 83 2HG2 ILE 83 -12.018 -11.319 -5.166 640 HG23 ILE 83 3HG2 ILE 83 -11.275 -11.195 -3.571 641 HD11 ILE 83 3HD1 ILE 83 -15.393 -13.698 -2.975 642 HD12 ILE 83 1HD1 ILE 83 -15.878 -12.171 -3.713 643 HD13 ILE 83 2HD1 ILE 83 -15.376 -12.214 -2.022 644 H ILE 84 HN ILE 84 -11.491 -9.423 -0.814 645 HA ILE 84 HA ILE 84 -11.341 -6.734 -1.932 646 HB ILE 84 HB ILE 84 -9.205 -7.251 -0.094 647 HG12 ILE 84 2HG1 ILE 84 -11.922 -8.197 0.754 648 HG13 ILE 84 3HG1 ILE 84 -10.339 -8.899 1.092 649 HG21 ILE 84 1HG2 ILE 84 -10.075 -5.347 1.026 650 HG22 ILE 84 2HG2 ILE 84 -11.660 -5.565 0.288 651 HG23 ILE 84 3HG2 ILE 84 -10.280 -5.082 -0.708 652 HD11 ILE 84 3HD1 ILE 84 -9.841 -7.023 2.585 653 HD12 ILE 84 1HD1 ILE 84 -11.280 -7.910 3.090 654 HD13 ILE 84 2HD1 ILE 84 -11.449 -6.353 2.258 655 H HIS 85 HN HIS 85 -9.789 -6.032 -3.220 656 HA HIS 85 HA HIS 85 -7.618 -7.893 -3.942 657 HB2 HIS 85 2HB HIS 85 -9.469 -7.770 -5.640 658 HB3 HIS 85 3HB HIS 85 -9.118 -6.059 -5.829 659 HD1 HIS 85 1HD HIS 85 -8.325 -6.075 -8.196 660 HD2 HIS 85 2HD HIS 85 -6.340 -8.861 -5.815 661 HE1 HIS 85 1HE HIS 85 -6.451 -6.990 -9.623 662 HE2 HIS 85 2HE HIS 85 -5.304 -8.728 -8.188 663 H LEU 86 HN LEU 86 -5.955 -6.933 -2.884 664 HA LEU 86 HA LEU 86 -5.707 -4.039 -2.887 665 HB2 LEU 86 2HB LEU 86 -4.213 -6.238 -1.489 666 HB3 LEU 86 3HB LEU 86 -3.624 -4.591 -1.478 667 HG LEU 86 HG LEU 86 -6.024 -4.040 -0.590 668 HD11 LEU 86 1HD1 LEU 86 -5.719 -6.928 0.204 669 HD12 LEU 86 2HD1 LEU 86 -6.953 -6.263 -0.865 670 HD13 LEU 86 3HD1 LEU 86 -6.922 -5.807 0.838 671 HD21 LEU 86 3HD2 LEU 86 -3.973 -3.621 0.618 672 HD22 LEU 86 1HD2 LEU 86 -3.880 -5.318 1.085 673 HD23 LEU 86 2HD2 LEU 86 -5.188 -4.309 1.698 674 H HIS 87 HN HIS 87 -4.332 -2.869 -4.023 675 HA HIS 87 HA HIS 87 -2.462 -4.257 -5.840 676 HB2 HIS 87 2HB HIS 87 -3.632 -1.477 -6.137 677 HB3 HIS 87 3HB HIS 87 -2.686 -2.354 -7.330 678 HD1 HIS 87 1HD HIS 87 -6.083 -2.412 -5.678 679 HD2 HIS 87 2HD HIS 87 -4.152 -3.933 -9.030 680 HE1 HIS 87 1HE HIS 87 -7.896 -3.393 -7.113 681 HE2 HIS 87 2HE HIS 87 -6.727 -4.054 -9.240 682 H ALA 88 HN ALA 88 -0.398 -4.086 -5.129 683 HA ALA 88 HA ALA 88 0.327 -1.831 -3.421 684 HB1 ALA 88 1HB ALA 88 1.011 -4.047 -2.700 685 HB2 ALA 88 2HB ALA 88 2.419 -3.039 -3.030 686 HB3 ALA 88 3HB ALA 88 1.926 -4.272 -4.193 687 H TRP 89 HN TRP 89 0.873 -0.031 -4.423 688 HA TRP 89 HA TRP 89 2.484 -0.189 -6.884 689 HB2 TRP 89 2HB TRP 89 0.716 2.005 -5.790 690 HB3 TRP 89 3HB TRP 89 1.809 2.235 -7.148 691 HD1 TRP 89 1HD TRP 89 -1.440 0.397 -6.205 692 HE1 TRP 89 1HE TRP 89 -2.690 -0.188 -8.385 693 HE3 TRP 89 3HE TRP 89 2.130 1.779 -9.597 694 HZ2 TRP 89 2HZ TRP 89 -2.227 -0.076 -11.153 695 HZ3 TRP 89 3HZ TRP 89 1.643 1.507 -11.994 696 HH2 TRP 89 2HH TRP 89 -0.490 0.598 -12.753 697 H HIS 90 HN HIS 90 4.388 0.968 -7.057 698 HA HIS 90 HA HIS 90 5.435 2.101 -4.554 699 HB2 HIS 90 2HB HIS 90 6.901 0.426 -5.490 700 HB3 HIS 90 3HB HIS 90 6.831 1.175 -7.078 701 HD1 HIS 90 1HD HIS 90 9.246 1.770 -7.416 702 HD2 HIS 90 2HD HIS 90 7.774 3.113 -3.756 703 HE1 HIS 90 1HE HIS 90 11.066 3.199 -6.433 704 HE2 HIS 90 2HE HIS 90 10.236 3.836 -4.146 705 H VAL 91 HN VAL 91 5.549 4.245 -4.360 706 HA VAL 91 HA VAL 91 5.154 5.887 -6.734 707 HB VAL 91 HB VAL 91 5.085 7.800 -5.079 708 HG11 VAL 91 1HG1 VAL 91 3.060 6.791 -5.982 709 HG12 VAL 91 2HG1 VAL 91 2.825 7.250 -4.295 710 HG13 VAL 91 3HG1 VAL 91 3.094 5.560 -4.720 711 HG21 VAL 91 3HG2 VAL 91 5.082 5.532 -3.086 712 HG22 VAL 91 1HG2 VAL 91 4.688 7.211 -2.717 713 HG23 VAL 91 2HG2 VAL 91 6.315 6.783 -3.249 714 HA PRO 92 HA PRO 92 9.656 6.156 -6.859 715 HB2 PRO 92 2HB PRO 92 9.768 7.150 -9.376 716 HB3 PRO 92 3HB PRO 92 9.492 5.436 -9.044 717 HG2 PRO 92 2HG PRO 92 7.505 7.579 -9.707 718 HG3 PRO 92 3HG PRO 92 7.612 5.923 -10.339 719 HD2 PRO 92 2HD PRO 92 5.880 6.618 -8.387 720 HD3 PRO 92 3HD PRO 92 6.630 5.012 -8.466 721 H ASP 93 HN ASP 93 7.273 8.566 -6.871 722 HA ASP 93 HA ASP 93 9.182 10.591 -6.108 723 HB2 ASP 93 2HB ASP 93 9.274 10.865 -8.521 724 HB3 ASP 93 3HB ASP 93 7.519 10.907 -8.612 725 H PHE 94 HN PHE 94 8.280 12.188 -4.900 726 HA PHE 94 HA PHE 94 5.420 12.637 -4.936 727 HB2 PHE 94 2HB PHE 94 5.244 12.435 -2.439 728 HB3 PHE 94 3HB PHE 94 5.484 10.908 -3.277 729 HD1 PHE 94 1HD PHE 94 7.552 9.673 -3.046 730 HD2 PHE 94 2HD PHE 94 6.958 13.365 -1.022 731 HE1 PHE 94 1HE PHE 94 9.492 9.192 -1.611 732 HE2 PHE 94 2HE PHE 94 8.904 12.900 0.411 733 HZ PHE 94 HZ PHE 94 10.172 10.807 0.118 734 H HIS 95 HN HIS 95 4.835 14.683 -4.225 735 HA HIS 95 HA HIS 95 7.103 16.481 -3.644 736 HB2 HIS 95 2HB HIS 95 5.951 16.932 -5.787 737 HB3 HIS 95 3HB HIS 95 4.437 17.150 -4.918 738 HD1 HIS 95 1HD HIS 95 3.926 19.468 -4.134 739 HD2 HIS 95 2HD HIS 95 7.942 18.973 -5.107 740 HE1 HIS 95 1HE HIS 95 4.947 21.757 -3.978 741 HE2 HIS 95 2HE HIS 95 7.409 21.400 -4.365 742 H GLY 96 HN GLY 96 7.165 17.378 -1.690 743 HA2 GLY 96 2HA GLY 96 5.834 18.787 -0.100 744 HA3 GLY 96 3HA GLY 96 4.661 17.474 -0.115 745 H THR 97 HN THR 97 4.992 17.450 2.246 746 HA THR 97 HA THR 97 7.371 15.848 2.892 747 HB THR 97 HB THR 97 5.937 17.750 4.764 748 HG1 THR 97 1HG THR 97 7.822 18.216 2.901 749 HG21 THR 97 3HG2 THR 97 6.921 15.853 5.935 750 HG22 THR 97 1HG2 THR 97 7.850 17.317 6.260 751 HG23 THR 97 2HG2 THR 97 8.460 16.120 5.115 752 H LEU 98 HN LEU 98 6.952 13.911 3.679 753 HA LEU 98 HA LEU 98 4.205 13.073 3.760 754 HB2 LEU 98 2HB LEU 98 5.389 10.831 4.481 755 HB3 LEU 98 3HB LEU 98 5.367 11.381 2.816 756 HG LEU 98 HG LEU 98 7.664 12.513 3.582 757 HD11 LEU 98 1HD1 LEU 98 7.469 10.029 5.282 758 HD12 LEU 98 2HD1 LEU 98 7.531 11.687 5.878 759 HD13 LEU 98 3HD1 LEU 98 8.916 11.005 5.029 760 HD21 LEU 98 3HD2 LEU 98 7.262 11.016 1.686 761 HD22 LEU 98 1HD2 LEU 98 7.350 9.628 2.776 762 HD23 LEU 98 2HD2 LEU 98 8.775 10.641 2.522 763 H GLN 99 HN GLN 99 2.948 12.961 5.398 764 HA GLN 99 HA GLN 99 4.011 12.777 8.102 765 HB2 GLN 99 2HB GLN 99 2.705 14.696 8.847 766 HB3 GLN 99 3HB GLN 99 3.819 15.185 7.573 767 HG2 GLN 99 2HG GLN 99 1.974 15.078 5.954 768 HG3 GLN 99 3HG GLN 99 0.868 14.689 7.272 769 HE21 GLN 99 1HE2 GLN 99 0.961 16.984 5.434 770 HE22 GLN 99 2HE2 GLN 99 1.034 18.394 6.440 771 H ALA 100 HN ALA 100 2.112 12.451 9.662 772 HA ALA 100 HA ALA 100 0.264 10.611 8.322 773 HB1 ALA 100 1HB ALA 100 1.048 10.765 11.228 774 HB2 ALA 100 2HB ALA 100 1.638 9.597 10.042 775 HB3 ALA 100 3HB ALA 100 -0.059 9.587 10.522 776 H HIS 101 HN HIS 101 -1.607 11.562 7.802 777 HA HIS 101 HA HIS 101 -2.827 13.527 9.533 778 HB2 HIS 101 2HB HIS 101 -3.067 13.794 7.141 779 HB3 HIS 101 3HB HIS 101 -3.723 12.173 6.984 780 HD1 HIS 101 1HD HIS 101 -6.164 12.013 6.874 781 HD2 HIS 101 2HD HIS 101 -4.925 15.563 8.664 782 HE1 HIS 101 1HE HIS 101 -8.259 13.367 7.231 783 HE2 HIS 101 2HE HIS 101 -7.453 15.590 8.109 784 H GLU 102 HN GLU 102 -4.031 10.441 8.170 785 HA GLU 102 HA GLU 102 -5.777 10.129 10.442 786 HB2 GLU 102 2HB GLU 102 -6.846 8.442 9.242 787 HB3 GLU 102 3HB GLU 102 -6.308 9.553 7.994 788 HG2 GLU 102 2HG GLU 102 -5.672 7.645 7.006 789 HG3 GLU 102 3HG GLU 102 -4.227 7.893 7.985 790 H HIS 103 HN HIS 103 -2.791 8.693 9.245 791 HA HIS 103 HA HIS 103 -2.764 6.593 11.192 792 HB2 HIS 103 2HB HIS 103 -0.615 7.650 9.349 793 HB3 HIS 103 3HB HIS 103 -0.337 6.336 10.482 794 HD1 HIS 103 1HD HIS 103 -1.262 4.018 9.852 795 HD2 HIS 103 2HD HIS 103 -2.235 7.010 7.138 796 HE1 HIS 103 1HE HIS 103 -2.175 2.832 7.844 797 HE2 HIS 103 2HE HIS 103 -3.019 4.675 6.349 798 H GLN 104 HN GLN 104 -0.626 6.432 12.597 799 HA GLN 104 HA GLN 104 -0.670 8.854 14.228 800 HB2 GLN 104 2HB GLN 104 -1.141 6.664 15.292 801 HB3 GLN 104 3HB GLN 104 0.489 6.141 14.888 802 HG2 GLN 104 2HG GLN 104 0.254 6.885 17.225 803 HG3 GLN 104 3HG GLN 104 1.440 7.821 16.316 804 HE21 GLN 104 1HE2 GLN 104 -1.697 7.847 17.811 805 HE22 GLN 104 2HE2 GLN 104 -1.912 9.567 17.796 806 H ALA 105 HN ALA 105 1.943 6.508 13.572 807 HA ALA 105 HA ALA 105 3.747 8.820 13.275 808 HB1 ALA 105 1HB ALA 105 5.492 7.538 14.360 809 HB2 ALA 105 2HB ALA 105 4.415 6.149 14.508 810 HB3 ALA 105 3HB ALA 105 4.074 7.628 15.404 811 H LEU 106 HN LEU 106 5.765 8.328 12.044 812 HA LEU 106 HA LEU 106 5.284 6.351 9.913 813 HB2 LEU 106 2HB LEU 106 6.643 9.044 9.634 814 HB3 LEU 106 3HB LEU 106 6.499 7.844 8.372 815 HG LEU 106 HG LEU 106 4.914 9.457 7.833 816 HD11 LEU 106 1HD1 LEU 106 4.000 7.223 7.683 817 HD12 LEU 106 2HD1 LEU 106 2.746 8.390 8.101 818 HD13 LEU 106 3HD1 LEU 106 3.415 7.334 9.344 819 HD21 LEU 106 3HD2 LEU 106 4.976 10.706 9.916 820 HD22 LEU 106 1HD2 LEU 106 4.005 9.463 10.703 821 HD23 LEU 106 2HD2 LEU 106 3.316 10.423 9.394 822 H VAL 107 HN VAL 107 6.977 4.994 9.513 823 HA VAL 107 HA VAL 107 9.635 5.877 10.385 824 HB VAL 107 HB VAL 107 8.749 4.258 12.056 825 HG11 VAL 107 1HG1 VAL 107 8.578 1.893 11.484 826 HG12 VAL 107 2HG1 VAL 107 8.858 2.278 9.787 827 HG13 VAL 107 3HG1 VAL 107 7.401 2.857 10.593 828 HG21 VAL 107 3HG2 VAL 107 11.135 3.351 10.457 829 HG22 VAL 107 1HG2 VAL 107 10.748 2.824 12.094 830 HG23 VAL 107 2HG2 VAL 107 11.130 4.516 11.780 831 H TRP 108 HN TRP 108 11.134 5.696 8.877 832 HA TRP 108 HA TRP 108 10.458 4.206 6.456 833 HB2 TRP 108 2HB TRP 108 12.484 5.463 5.508 834 HB3 TRP 108 3HB TRP 108 11.027 6.389 5.840 835 HD1 TRP 108 1HD TRP 108 14.581 5.823 7.214 836 HE1 TRP 108 1HE TRP 108 15.222 7.855 8.656 837 HE3 TRP 108 3HE TRP 108 10.105 8.297 7.173 838 HZ2 TRP 108 2HZ TRP 108 13.998 10.196 9.641 839 HZ3 TRP 108 3HZ TRP 108 9.928 10.431 8.387 840 HH2 TRP 108 2HH TRP 108 11.836 11.359 9.595 841 H CYS 109 HN CYS 109 11.282 2.337 6.097 842 HA CYS 109 HA CYS 109 13.983 1.676 6.977 843 HB2 CYS 109 2HB CYS 109 11.679 -0.168 7.635 844 HB3 CYS 109 3HB CYS 109 13.372 -0.408 8.027 845 HG CYS 109 HG CYS 109 12.759 2.391 9.393 846 H SER 110 HN SER 110 14.751 -0.322 5.947 847 HA SER 110 HA SER 110 14.118 -0.239 3.161 848 HB2 SER 110 2HB SER 110 15.811 -2.240 4.686 849 HB3 SER 110 3HB SER 110 15.826 -1.973 2.944 850 HG SER 110 HG SER 110 16.808 -0.052 3.224 851 HA PRO 111 HA PRO 111 10.881 -3.184 2.661 852 HB2 PRO 111 2HB PRO 111 12.127 -4.994 0.892 853 HB3 PRO 111 3HB PRO 111 11.125 -3.607 0.460 854 HG2 PRO 111 2HG PRO 111 14.083 -3.855 0.537 855 HG3 PRO 111 3HG PRO 111 13.060 -2.865 -0.518 856 HD2 PRO 111 2HD PRO 111 14.470 -1.789 1.497 857 HD3 PRO 111 3HD PRO 111 12.866 -1.171 1.051 858 H GLU 112 HN GLU 112 14.083 -4.702 3.013 859 HA GLU 112 HA GLU 112 13.086 -7.191 3.928 860 HB2 GLU 112 2HB GLU 112 15.461 -7.557 4.674 861 HB3 GLU 112 3HB GLU 112 15.281 -7.114 2.982 862 HG2 GLU 112 2HG GLU 112 15.738 -4.715 3.762 863 HG3 GLU 112 3HG GLU 112 16.307 -5.457 5.256 864 H GLU 113 HN GLU 113 14.030 -4.229 5.567 865 HA GLU 113 HA GLU 113 13.835 -5.245 8.209 866 HB2 GLU 113 2HB GLU 113 13.423 -2.378 7.364 867 HB3 GLU 113 3HB GLU 113 13.977 -2.969 8.922 868 HG2 GLU 113 2HG GLU 113 15.504 -3.217 6.344 869 HG3 GLU 113 3HG GLU 113 15.764 -1.967 7.556 870 H ALA 114 HN ALA 114 11.586 -3.688 5.996 871 HA ALA 114 HA ALA 114 9.585 -2.947 7.796 872 HB1 ALA 114 1HB ALA 114 9.212 -3.753 4.916 873 HB2 ALA 114 2HB ALA 114 9.739 -2.160 5.464 874 HB3 ALA 114 3HB ALA 114 8.131 -2.750 5.881 875 H LEU 115 HN LEU 115 10.103 -6.019 6.149 876 HA LEU 115 HA LEU 115 7.529 -7.057 6.781 877 HB2 LEU 115 2HB LEU 115 9.479 -7.742 5.028 878 HB3 LEU 115 3HB LEU 115 9.725 -8.959 6.264 879 HG LEU 115 HG LEU 115 8.175 -9.485 4.253 880 HD11 LEU 115 1HD1 LEU 115 6.749 -10.898 5.631 881 HD12 LEU 115 2HD1 LEU 115 7.243 -10.006 7.070 882 HD13 LEU 115 3HD1 LEU 115 8.428 -10.958 6.174 883 HD21 LEU 115 3HD2 LEU 115 5.905 -8.823 4.431 884 HD22 LEU 115 1HD2 LEU 115 6.872 -7.355 4.555 885 HD23 LEU 115 2HD2 LEU 115 6.171 -8.076 6.006 886 H GLN 116 HN GLN 116 10.330 -6.604 8.610 887 HA GLN 116 HA GLN 116 9.822 -8.767 10.473 888 HB2 GLN 116 2HB GLN 116 11.733 -6.432 10.674 889 HB3 GLN 116 3HB GLN 116 11.721 -7.854 11.707 890 HG2 GLN 116 2HG GLN 116 12.304 -9.257 9.809 891 HG3 GLN 116 3HG GLN 116 12.256 -7.855 8.743 892 HE21 GLN 116 1HE2 GLN 116 14.363 -7.987 8.107 893 HE22 GLN 116 2HE2 GLN 116 15.697 -7.682 9.165 894 H TYR 117 HN TYR 117 8.544 -5.759 9.872 895 HA TYR 117 HA TYR 117 8.023 -5.065 12.651 896 HB2 TYR 117 2HB TYR 117 7.471 -3.721 10.011 897 HB3 TYR 117 3HB TYR 117 6.660 -3.184 11.476 898 HD1 TYR 117 1HD TYR 117 10.021 -3.717 9.997 899 HD2 TYR 117 2HD TYR 117 7.714 -1.689 12.930 900 HE1 TYR 117 1HE TYR 117 11.956 -2.293 10.520 901 HE2 TYR 117 2HE TYR 117 9.642 -0.262 13.474 902 HH TYR 117 HH TYR 117 12.340 -0.000 11.513 903 HA PRO 118 HA PRO 118 3.926 -6.793 12.674 904 HB2 PRO 118 2HB PRO 118 2.442 -4.979 13.995 905 HB3 PRO 118 3HB PRO 118 3.702 -5.919 14.806 906 HG2 PRO 118 2HG PRO 118 3.826 -3.122 13.733 907 HG3 PRO 118 3HG PRO 118 4.378 -3.734 15.304 908 HD2 PRO 118 2HD PRO 118 6.064 -3.337 13.213 909 HD3 PRO 118 3HD PRO 118 6.322 -4.632 14.397 910 H LEU 119 HN LEU 119 4.030 -6.341 10.239 911 HA LEU 119 HA LEU 119 2.412 -4.163 9.267 912 HB2 LEU 119 2HB LEU 119 3.628 -6.565 7.904 913 HB3 LEU 119 3HB LEU 119 2.677 -5.361 7.059 914 HG LEU 119 HG LEU 119 5.312 -4.857 8.466 915 HD11 LEU 119 1HD1 LEU 119 5.567 -6.152 6.423 916 HD12 LEU 119 2HD1 LEU 119 6.159 -4.507 6.190 917 HD13 LEU 119 3HD1 LEU 119 4.591 -4.980 5.538 918 HD21 LEU 119 3HD2 LEU 119 3.837 -2.911 8.552 919 HD22 LEU 119 1HD2 LEU 119 3.583 -3.021 6.810 920 HD23 LEU 119 2HD2 LEU 119 5.184 -2.642 7.446 921 H ALA 120 HN ALA 120 0.396 -4.353 8.248 922 HA ALA 120 HA ALA 120 -1.471 -6.076 9.416 923 HB1 ALA 120 1HB ALA 120 -1.699 -4.622 6.782 924 HB2 ALA 120 2HB ALA 120 -2.028 -3.919 8.366 925 HB3 ALA 120 3HB ALA 120 -3.034 -5.237 7.761 926 HA PRO 121 HA PRO 121 -1.141 -9.924 7.340 927 HB2 PRO 121 2HB PRO 121 -3.778 -10.599 6.995 928 HB3 PRO 121 3HB PRO 121 -2.902 -10.749 8.522 929 HG2 PRO 121 2HG PRO 121 -4.736 -8.574 7.596 930 HG3 PRO 121 3HG PRO 121 -4.632 -9.349 9.187 931 HD2 PRO 121 2HD PRO 121 -3.549 -6.940 8.744 932 HD3 PRO 121 3HD PRO 121 -2.760 -8.129 9.803 933 H ALA 122 HN ALA 122 -2.714 -7.301 5.800 934 HA ALA 122 HA ALA 122 -2.863 -8.713 3.240 935 HB1 ALA 122 1HB ALA 122 -3.924 -6.693 2.384 936 HB2 ALA 122 2HB ALA 122 -3.636 -5.874 3.920 937 HB3 ALA 122 3HB ALA 122 -4.739 -7.248 3.849 938 H ASP 123 HN ASP 123 -0.920 -6.539 5.041 939 HA ASP 123 HA ASP 123 0.423 -5.326 2.792 940 HB2 ASP 123 2HB ASP 123 0.876 -5.169 5.778 941 HB3 ASP 123 3HB ASP 123 1.824 -4.269 4.597 942 H ILE 124 HN ILE 124 0.880 -8.026 4.890 943 HA ILE 124 HA ILE 124 3.689 -8.214 4.787 944 HB ILE 124 HB ILE 124 1.648 -10.405 5.212 945 HG12 ILE 124 2HG1 ILE 124 3.275 -8.789 7.193 946 HG13 ILE 124 3HG1 ILE 124 1.558 -8.579 6.871 947 HG21 ILE 124 1HG2 ILE 124 3.788 -11.332 4.508 948 HG22 ILE 124 2HG2 ILE 124 3.498 -11.674 6.214 949 HG23 ILE 124 3HG2 ILE 124 4.619 -10.394 5.751 950 HD11 ILE 124 3HD1 ILE 124 1.091 -10.782 7.739 951 HD12 ILE 124 1HD1 ILE 124 1.990 -9.840 8.926 952 HD13 ILE 124 2HD1 ILE 124 2.813 -11.078 7.978 953 HA PRO 125 HA PRO 125 3.070 -11.337 1.103 954 HB2 PRO 125 2HB PRO 125 0.682 -11.126 -0.231 955 HB3 PRO 125 3HB PRO 125 1.018 -12.326 1.022 956 HG2 PRO 125 2HG PRO 125 -0.425 -9.715 1.234 957 HG3 PRO 125 3HG PRO 125 -0.832 -11.284 1.955 958 HD2 PRO 125 2HD PRO 125 0.334 -9.337 3.387 959 HD3 PRO 125 3HD PRO 125 0.725 -11.050 3.652 960 H LEU 126 HN LEU 126 1.776 -8.099 1.142 961 HA LEU 126 HA LEU 126 2.336 -7.557 -1.629 962 HB2 LEU 126 2HB LEU 126 1.757 -5.714 0.694 963 HB3 LEU 126 3HB LEU 126 1.952 -5.177 -0.965 964 HG LEU 126 HG LEU 126 -0.222 -7.006 0.066 965 HD11 LEU 126 1HD1 LEU 126 -0.514 -4.701 0.777 966 HD12 LEU 126 2HD1 LEU 126 -1.704 -5.127 -0.455 967 HD13 LEU 126 3HD1 LEU 126 -0.302 -4.147 -0.885 968 HD21 LEU 126 3HD2 LEU 126 -1.181 -6.773 -2.180 969 HD22 LEU 126 1HD2 LEU 126 0.388 -7.577 -2.216 970 HD23 LEU 126 2HD2 LEU 126 0.254 -5.884 -2.693 971 H LEU 127 HN LEU 127 3.886 -6.896 1.480 972 HA LEU 127 HA LEU 127 6.113 -5.517 0.350 973 HB2 LEU 127 2HB LEU 127 5.317 -5.355 2.740 974 HB3 LEU 127 3HB LEU 127 6.005 -6.943 3.006 975 HG LEU 127 HG LEU 127 7.399 -4.961 3.767 976 HD11 LEU 127 1HD1 LEU 127 8.360 -7.193 3.493 977 HD12 LEU 127 2HD1 LEU 127 9.508 -5.926 3.061 978 HD13 LEU 127 3HD1 LEU 127 8.683 -6.839 1.796 979 HD21 LEU 127 3HD2 LEU 127 8.714 -3.816 2.063 980 HD22 LEU 127 1HD2 LEU 127 6.987 -3.518 1.854 981 HD23 LEU 127 2HD2 LEU 127 7.818 -4.666 0.802 982 H GLU 128 HN GLU 128 5.420 -8.870 1.205 983 HA GLU 128 HA GLU 128 7.841 -10.106 0.901 984 HB2 GLU 128 2HB GLU 128 5.050 -10.893 0.126 985 HB3 GLU 128 3HB GLU 128 6.399 -11.960 -0.231 986 HG2 GLU 128 2HG GLU 128 5.791 -10.932 2.525 987 HG3 GLU 128 3HG GLU 128 5.161 -12.450 1.887 988 H ALA 129 HN ALA 129 5.614 -9.095 -1.681 989 HA ALA 129 HA ALA 129 7.433 -10.043 -3.713 990 HB1 ALA 129 1HB ALA 129 5.017 -10.215 -4.061 991 HB2 ALA 129 2HB ALA 129 5.823 -9.280 -5.324 992 HB3 ALA 129 3HB ALA 129 4.907 -8.449 -4.061 993 H PHE 130 HN PHE 130 7.099 -7.127 -1.942 994 HA PHE 130 HA PHE 130 8.063 -5.401 -4.031 995 HB2 PHE 130 2HB PHE 130 6.719 -4.573 -2.075 996 HB3 PHE 130 3HB PHE 130 8.096 -4.935 -1.037 997 HD1 PHE 130 1HD PHE 130 6.824 -2.772 -3.695 998 HD2 PHE 130 2HD PHE 130 10.053 -3.535 -1.037 999 HE1 PHE 130 1HE PHE 130 7.758 -0.556 -4.204 1000 HE2 PHE 130 2HE PHE 130 11.000 -1.318 -1.543 1001 HZ PHE 130 HZ PHE 130 9.849 0.171 -3.128 1002 H MET 131 HN MET 131 9.377 -6.940 -1.122 1003 HA MET 131 HA MET 131 12.070 -6.284 -1.743 1004 HB2 MET 131 2HB MET 131 12.697 -7.841 0.014 1005 HB3 MET 131 3HB MET 131 11.345 -6.855 0.553 1006 HG2 MET 131 2HG MET 131 9.816 -8.697 0.125 1007 HG3 MET 131 3HG MET 131 11.154 -9.683 -0.460 1008 HE1 MET 131 3HE MET 131 13.297 -10.157 2.780 1009 HE2 MET 131 1HE MET 131 13.481 -8.869 1.592 1010 HE3 MET 131 2HE MET 131 13.152 -10.518 1.062 1011 H ALA 132 HN ALA 132 9.995 -9.106 -2.488 1012 HA ALA 132 HA ALA 132 11.894 -10.663 -3.766 1013 HB1 ALA 132 1HB ALA 132 9.653 -11.465 -3.312 1014 HB2 ALA 132 2HB ALA 132 9.983 -11.585 -5.039 1015 HB3 ALA 132 3HB ALA 132 8.965 -10.278 -4.423 1016 H LEU 133 HN LEU 133 10.031 -7.906 -4.964 1017 HA LEU 133 HA LEU 133 10.783 -8.196 -7.677 1018 HB2 LEU 133 2HB LEU 133 9.078 -6.548 -6.202 1019 HB3 LEU 133 3HB LEU 133 10.250 -5.456 -6.919 1020 HG LEU 133 HG LEU 133 9.727 -6.422 -9.146 1021 HD11 LEU 133 1HD1 LEU 133 8.948 -8.600 -8.495 1022 HD12 LEU 133 2HD1 LEU 133 7.662 -7.763 -9.364 1023 HD13 LEU 133 3HD1 LEU 133 7.598 -7.899 -7.603 1024 HD21 LEU 133 3HD2 LEU 133 7.394 -5.279 -7.617 1025 HD22 LEU 133 1HD2 LEU 133 7.539 -5.335 -9.375 1026 HD23 LEU 133 2HD2 LEU 133 8.667 -4.365 -8.427 1027 H ARG 134 HN ARG 134 12.214 -6.515 -4.946 1028 HA ARG 134 HA ARG 134 14.219 -5.273 -6.627 1029 HB2 ARG 134 2HB ARG 134 13.775 -5.299 -3.642 1030 HB3 ARG 134 3HB ARG 134 15.119 -4.468 -4.415 1031 HG2 ARG 134 2HG ARG 134 13.675 -2.957 -5.515 1032 HG3 ARG 134 3HG ARG 134 12.252 -3.918 -5.114 1033 HD2 ARG 134 2HD ARG 134 12.461 -1.901 -3.717 1034 HD3 ARG 134 3HD ARG 134 12.492 -3.388 -2.778 1035 HE ARG 134 HE ARG 134 14.882 -3.095 -2.514 1036 HH11 ARG 134 1HH1 ARG 134 13.137 -0.336 -3.789 1037 HH12 ARG 134 2HH1 ARG 134 14.274 0.829 -3.204 1038 HH21 ARG 134 1HH2 ARG 134 16.388 -1.563 -1.717 1039 HH22 ARG 134 2HH2 ARG 134 16.130 0.127 -2.025 1040 H ALA 135 HN ALA 135 13.807 -8.276 -5.141 1041 HA ALA 135 HA ALA 135 16.686 -8.763 -4.973 1042 HB1 ALA 135 1HB ALA 135 16.105 -10.894 -3.984 1043 HB2 ALA 135 2HB ALA 135 14.399 -10.626 -4.339 1044 HB3 ALA 135 3HB ALA 135 15.227 -9.602 -3.165 1045 H ALA 136 HN ALA 136 13.815 -9.770 -6.748 1046 HA ALA 136 HA ALA 136 15.324 -11.503 -8.513 1047 HB1 ALA 136 1HB ALA 136 13.046 -12.107 -7.863 1048 HB2 ALA 136 2HB ALA 136 13.178 -11.899 -9.609 1049 HB3 ALA 136 3HB ALA 136 12.434 -10.638 -8.623 1050 H ARG 137 HN ARG 137 14.200 -8.259 -8.388 1051 HA ARG 137 HA ARG 137 14.649 -6.432 -9.617 1052 HB2 ARG 137 2HB ARG 137 16.886 -7.319 -9.961 1053 HB3 ARG 137 3HB ARG 137 16.318 -8.297 -11.306 1054 HG2 ARG 137 2HG ARG 137 15.816 -6.278 -12.574 1055 HG3 ARG 137 3HG ARG 137 16.350 -5.287 -11.215 1056 HD2 ARG 137 2HD ARG 137 18.121 -5.444 -12.856 1057 HD3 ARG 137 3HD ARG 137 18.589 -6.305 -11.390 1058 HE ARG 137 HE ARG 137 17.568 -7.677 -13.807 1059 HH11 ARG 137 1HH1 ARG 137 19.790 -7.447 -11.106 1060 HH12 ARG 137 2HH1 ARG 137 20.629 -8.915 -11.503 1061 HH21 ARG 137 1HH2 ARG 137 18.699 -9.591 -14.362 1062 HH22 ARG 137 2HH2 ARG 137 20.033 -10.117 -13.377 1063 HA PRO 138 HA PRO 138 11.120 -6.850 -12.227 1064 HB2 PRO 138 2HB PRO 138 10.929 -4.234 -12.942 1065 HB3 PRO 138 3HB PRO 138 10.417 -4.845 -11.364 1066 HG2 PRO 138 2HG PRO 138 12.996 -3.533 -12.138 1067 HG3 PRO 138 3HG PRO 138 11.963 -3.210 -10.730 1068 HD2 PRO 138 2HD PRO 138 14.162 -4.721 -10.515 1069 HD3 PRO 138 3HD PRO 138 12.684 -5.120 -9.611 1070 H ALA 139 HN ALA 139 11.415 -7.830 -14.062 1071 HA ALA 139 HA ALA 139 12.541 -6.331 -16.319 1072 HB1 ALA 139 1HB ALA 139 14.257 -7.929 -15.531 1073 HB2 ALA 139 2HB ALA 139 13.683 -8.299 -17.157 1074 HB3 ALA 139 3HB ALA 139 13.112 -9.248 -15.785 1075 H ASP 140 HN ASP 140 9.920 -7.349 -15.055 1076 HA ASP 140 HA ASP 140 8.581 -8.010 -17.522 1077 HB2 ASP 140 2HB ASP 140 9.179 -10.238 -16.945 1078 HB3 ASP 140 3HB ASP 140 8.825 -9.974 -15.242 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -30.600 -15.455 -2.386 2 H2 GLY 1 2H GLY 1 -29.041 -16.023 -2.760 3 H3 GLY 1 3H GLY 1 -29.285 -15.035 -1.403 4 HA2 GLY 1 3HA GLY 1 -30.560 -16.726 -0.310 5 HA3 GLY 1 2HA GLY 1 -30.445 -17.743 -1.741 6 HA PRO 2 HA PRO 2 -26.792 -19.260 0.359 7 HB2 PRO 2 2HB PRO 2 -26.586 -21.319 -1.622 8 HB3 PRO 2 3HB PRO 2 -27.187 -21.464 0.030 9 HG2 PRO 2 2HG PRO 2 -28.734 -21.745 -2.245 10 HG3 PRO 2 3HG PRO 2 -29.359 -21.355 -0.634 11 HD2 PRO 2 2HD PRO 2 -28.820 -19.543 -2.948 12 HD3 PRO 2 3HD PRO 2 -30.143 -19.498 -1.762 13 H LEU 3 HN LEU 3 -25.271 -17.733 -0.096 14 HA LEU 3 HA LEU 3 -23.410 -16.830 -1.010 15 HB2 LEU 3 2HB LEU 3 -22.637 -19.111 -1.344 16 HB3 LEU 3 3HB LEU 3 -23.519 -19.215 -2.856 17 HG LEU 3 HG LEU 3 -22.061 -17.377 -3.747 18 HD11 LEU 3 1HD1 LEU 3 -20.501 -17.906 -1.222 19 HD12 LEU 3 2HD1 LEU 3 -19.969 -16.912 -2.578 20 HD13 LEU 3 3HD1 LEU 3 -21.365 -16.421 -1.620 21 HD21 LEU 3 3HD2 LEU 3 -20.143 -18.835 -4.141 22 HD22 LEU 3 1HD2 LEU 3 -20.671 -19.894 -2.833 23 HD23 LEU 3 2HD2 LEU 3 -21.659 -19.724 -4.285 24 H GLY 4 HN GLY 4 -23.846 -14.925 -1.889 25 HA2 GLY 4 2HA GLY 4 -25.125 -14.822 -4.536 26 HA3 GLY 4 3HA GLY 4 -24.846 -13.452 -3.468 27 H SER 5 HN SER 5 -24.119 -12.916 -5.927 28 HA SER 5 HA SER 5 -21.513 -13.760 -6.663 29 HB2 SER 5 2HB SER 5 -23.130 -12.802 -8.279 30 HB3 SER 5 3HB SER 5 -22.996 -11.241 -7.470 31 HG SER 5 HG SER 5 -20.573 -11.740 -7.941 32 H MET 6 HN MET 6 -22.785 -11.216 -4.659 33 HA MET 6 HA MET 6 -21.841 -9.943 -3.040 34 HB2 MET 6 2HB MET 6 -19.368 -11.582 -3.604 35 HB3 MET 6 3HB MET 6 -19.518 -10.432 -2.286 36 HG2 MET 6 2HG MET 6 -21.331 -12.807 -2.615 37 HG3 MET 6 3HG MET 6 -19.836 -12.853 -1.688 38 HE1 MET 6 3HE MET 6 -23.673 -10.557 -0.524 39 HE2 MET 6 1HE MET 6 -22.820 -10.210 -2.027 40 HE3 MET 6 2HE MET 6 -23.571 -11.786 -1.783 41 H LYS 7 HN LYS 7 -19.543 -8.623 -2.737 42 HA LYS 7 HA LYS 7 -19.249 -7.141 -5.259 43 HB2 LYS 7 2HB LYS 7 -19.556 -6.137 -2.440 44 HB3 LYS 7 3HB LYS 7 -18.815 -5.145 -3.688 45 HG2 LYS 7 2HG LYS 7 -20.833 -5.190 -4.994 46 HG3 LYS 7 3HG LYS 7 -21.579 -6.328 -3.871 47 HD2 LYS 7 2HD LYS 7 -21.701 -4.709 -2.156 48 HD3 LYS 7 3HD LYS 7 -20.611 -3.613 -3.010 49 HE2 LYS 7 2HE LYS 7 -23.316 -4.424 -4.060 50 HE3 LYS 7 3HE LYS 7 -23.049 -2.986 -3.073 51 HZ1 LYS 7 3HZ LYS 7 -21.741 -3.536 -5.690 52 HZ2 LYS 7 1HZ LYS 7 -21.540 -2.141 -4.745 53 HZ3 LYS 7 2HZ LYS 7 -23.046 -2.478 -5.448 54 H MET 8 HN MET 8 -17.232 -6.330 -5.759 55 HA MET 8 HA MET 8 -15.018 -7.403 -4.167 56 HB2 MET 8 2HB MET 8 -15.160 -6.460 -7.032 57 HB3 MET 8 3HB MET 8 -13.638 -6.795 -6.213 58 HG2 MET 8 2HG MET 8 -14.346 -9.101 -5.842 59 HG3 MET 8 3HG MET 8 -15.867 -8.769 -6.664 60 HE1 MET 8 3HE MET 8 -11.969 -9.058 -7.046 61 HE2 MET 8 1HE MET 8 -11.747 -8.660 -8.749 62 HE3 MET 8 2HE MET 8 -12.285 -7.419 -7.617 63 H ILE 9 HN ILE 9 -13.527 -6.138 -3.276 64 HA ILE 9 HA ILE 9 -14.036 -3.230 -3.320 65 HB ILE 9 HB ILE 9 -12.838 -4.964 -1.155 66 HG12 ILE 9 2HG1 ILE 9 -15.480 -3.509 -1.299 67 HG13 ILE 9 3HG1 ILE 9 -15.245 -5.253 -1.340 68 HG21 ILE 9 1HG2 ILE 9 -13.532 -2.065 -0.831 69 HG22 ILE 9 2HG2 ILE 9 -12.540 -3.105 0.210 70 HG23 ILE 9 3HG2 ILE 9 -11.934 -2.591 -1.371 71 HD11 ILE 9 3HD1 ILE 9 -14.676 -3.420 0.975 72 HD12 ILE 9 1HD1 ILE 9 -15.995 -4.583 0.841 73 HD13 ILE 9 2HD1 ILE 9 -14.326 -5.149 0.943 74 H GLU 10 HN GLU 10 -12.437 -2.048 -4.211 75 HA GLU 10 HA GLU 10 -9.860 -3.368 -4.672 76 HB2 GLU 10 2HB GLU 10 -11.320 -1.167 -6.078 77 HB3 GLU 10 3HB GLU 10 -9.566 -1.210 -6.149 78 HG2 GLU 10 2HG GLU 10 -11.141 -3.643 -6.842 79 HG3 GLU 10 3HG GLU 10 -10.949 -2.339 -8.011 80 H VAL 11 HN VAL 11 -8.197 -2.829 -3.461 81 HA VAL 11 HA VAL 11 -8.234 -0.212 -2.126 82 HB VAL 11 HB VAL 11 -7.343 -2.841 -0.914 83 HG11 VAL 11 1HG1 VAL 11 -6.866 -1.555 1.108 84 HG12 VAL 11 2HG1 VAL 11 -5.866 -1.023 -0.244 85 HG13 VAL 11 3HG1 VAL 11 -7.261 -0.064 0.252 86 HG21 VAL 11 3HG2 VAL 11 -9.764 -2.581 -0.904 87 HG22 VAL 11 1HG2 VAL 11 -9.126 -2.419 0.731 88 HG23 VAL 11 2HG2 VAL 11 -9.604 -0.983 -0.175 89 H VAL 12 HN VAL 12 -6.545 0.939 -2.673 90 HA VAL 12 HA VAL 12 -4.290 -0.429 -3.940 91 HB VAL 12 HB VAL 12 -3.669 2.010 -4.581 92 HG11 VAL 12 1HG1 VAL 12 -4.386 0.302 -6.169 93 HG12 VAL 12 2HG1 VAL 12 -6.073 0.636 -5.777 94 HG13 VAL 12 3HG1 VAL 12 -5.095 1.869 -6.571 95 HG21 VAL 12 3HG2 VAL 12 -5.577 3.524 -4.773 96 HG22 VAL 12 1HG2 VAL 12 -6.610 2.340 -3.972 97 HG23 VAL 12 2HG2 VAL 12 -5.286 3.098 -3.085 98 H ALA 13 HN ALA 13 -2.306 -0.391 -3.121 99 HA ALA 13 HA ALA 13 -1.890 1.100 -0.621 100 HB1 ALA 13 1HB ALA 13 -0.352 -0.662 0.055 101 HB2 ALA 13 2HB ALA 13 -1.933 -1.354 -0.312 102 HB3 ALA 13 3HB ALA 13 -0.611 -1.504 -1.474 103 H ALA 14 HN ALA 14 -0.186 2.472 -0.574 104 HA ALA 14 HA ALA 14 1.365 2.670 -3.059 105 HB1 ALA 14 1HB ALA 14 1.853 4.984 -2.318 106 HB2 ALA 14 2HB ALA 14 0.128 4.677 -2.506 107 HB3 ALA 14 3HB ALA 14 0.844 4.715 -0.898 108 H ILE 15 HN ILE 15 3.377 1.985 -3.036 109 HA ILE 15 HA ILE 15 4.759 1.702 -0.478 110 HB ILE 15 HB ILE 15 5.448 0.715 -3.255 111 HG12 ILE 15 2HG1 ILE 15 4.373 -0.569 -0.758 112 HG13 ILE 15 3HG1 ILE 15 3.782 -0.698 -2.414 113 HG21 ILE 15 1HG2 ILE 15 7.471 1.355 -2.000 114 HG22 ILE 15 2HG2 ILE 15 6.980 0.265 -0.705 115 HG23 ILE 15 3HG2 ILE 15 7.376 -0.382 -2.295 116 HD11 ILE 15 3HD1 ILE 15 4.805 -2.771 -1.664 117 HD12 ILE 15 1HD1 ILE 15 5.714 -2.063 -3.000 118 HD13 ILE 15 2HD1 ILE 15 6.320 -1.912 -1.336 119 H ILE 16 HN ILE 16 5.537 3.668 0.099 120 HA ILE 16 HA ILE 16 6.498 5.516 -1.931 121 HB ILE 16 HB ILE 16 6.629 5.978 1.035 122 HG12 ILE 16 2HG1 ILE 16 4.298 5.147 0.228 123 HG13 ILE 16 3HG1 ILE 16 4.389 6.590 1.229 124 HG21 ILE 16 1HG2 ILE 16 6.224 7.815 -1.316 125 HG22 ILE 16 2HG2 ILE 16 6.277 8.322 0.372 126 HG23 ILE 16 3HG2 ILE 16 7.704 7.609 -0.381 127 HD11 ILE 16 3HD1 ILE 16 2.815 6.831 -0.611 128 HD12 ILE 16 1HD1 ILE 16 4.140 7.988 -0.716 129 HD13 ILE 16 2HD1 ILE 16 4.123 6.569 -1.767 130 H GLU 17 HN GLU 17 8.578 5.190 -2.582 131 HA GLU 17 HA GLU 17 10.428 4.146 -0.558 132 HB2 GLU 17 2HB GLU 17 10.167 2.801 -2.638 133 HB3 GLU 17 3HB GLU 17 10.817 4.159 -3.550 134 HG2 GLU 17 2HG GLU 17 12.897 4.019 -2.251 135 HG3 GLU 17 3HG GLU 17 12.243 2.631 -1.383 136 H ARG 18 HN ARG 18 11.734 5.498 0.328 137 HA ARG 18 HA ARG 18 13.047 7.528 -1.295 138 HB2 ARG 18 2HB ARG 18 10.978 8.236 0.419 139 HB3 ARG 18 3HB ARG 18 12.426 8.537 1.372 140 HG2 ARG 18 2HG ARG 18 11.702 10.521 0.132 141 HG3 ARG 18 3HG ARG 18 13.307 9.977 -0.366 142 HD2 ARG 18 2HD ARG 18 12.259 8.793 -2.272 143 HD3 ARG 18 3HD ARG 18 10.704 9.466 -1.795 144 HE ARG 18 HE ARG 18 11.723 11.693 -2.227 145 HH11 ARG 18 2HH1 ARG 18 13.047 8.821 -3.731 146 HH12 ARG 18 1HH1 ARG 18 13.688 9.674 -5.097 147 HH21 ARG 18 2HH2 ARG 18 12.554 12.818 -4.028 148 HH22 ARG 18 1HH2 ARG 18 13.434 11.956 -5.254 149 H ASP 19 HN ASP 19 15.144 7.857 -0.704 150 HA ASP 19 HA ASP 19 17.152 7.541 0.352 151 HB2 ASP 19 2HB ASP 19 15.968 7.746 2.560 152 HB3 ASP 19 3HB ASP 19 15.658 6.023 2.499 153 H GLY 20 HN GLY 20 14.978 5.116 -0.487 154 HA2 GLY 20 2HA GLY 20 15.676 3.034 -1.506 155 HA3 GLY 20 3HA GLY 20 17.059 3.032 -0.408 156 H LYS 21 HN LYS 21 14.510 4.265 1.198 157 HA LYS 21 HA LYS 21 13.840 1.701 2.472 158 HB2 LYS 21 2HB LYS 21 13.436 4.450 3.646 159 HB3 LYS 21 3HB LYS 21 13.465 2.909 4.487 160 HG2 LYS 21 2HG LYS 21 15.963 3.274 3.159 161 HG3 LYS 21 3HG LYS 21 15.578 4.729 4.077 162 HD2 LYS 21 2HD LYS 21 15.469 3.586 6.096 163 HD3 LYS 21 3HD LYS 21 15.295 2.013 5.313 164 HE2 LYS 21 2HE LYS 21 17.509 2.215 6.258 165 HE3 LYS 21 3HE LYS 21 17.618 2.203 4.500 166 HZ1 LYS 21 3HZ LYS 21 17.894 4.585 4.509 167 HZ2 LYS 21 1HZ LYS 21 19.055 3.872 5.520 168 HZ3 LYS 21 2HZ LYS 21 17.705 4.640 6.198 169 H ILE 22 HN ILE 22 11.590 1.555 3.299 170 HA ILE 22 HA ILE 22 9.738 2.826 1.399 171 HB ILE 22 HB ILE 22 9.129 0.390 3.079 172 HG12 ILE 22 2HG1 ILE 22 10.268 0.462 0.272 173 HG13 ILE 22 3HG1 ILE 22 11.132 -0.069 1.712 174 HG21 ILE 22 1HG2 ILE 22 7.528 -0.024 1.161 175 HG22 ILE 22 2HG2 ILE 22 7.166 1.380 2.178 176 HG23 ILE 22 3HG2 ILE 22 7.925 1.606 0.602 177 HD11 ILE 22 3HD1 ILE 22 10.379 -1.972 0.457 178 HD12 ILE 22 1HD1 ILE 22 9.492 -1.888 1.980 179 HD13 ILE 22 2HD1 ILE 22 8.717 -1.378 0.478 180 H LEU 23 HN LEU 23 7.826 3.748 2.142 181 HA LEU 23 HA LEU 23 7.991 4.843 4.821 182 HB2 LEU 23 2HB LEU 23 7.503 6.281 2.883 183 HB3 LEU 23 3HB LEU 23 6.041 5.366 2.578 184 HG LEU 23 HG LEU 23 5.145 6.139 4.768 185 HD11 LEU 23 1HD1 LEU 23 6.253 8.034 5.865 186 HD12 LEU 23 2HD1 LEU 23 7.236 6.570 5.915 187 HD13 LEU 23 3HD1 LEU 23 7.624 7.855 4.770 188 HD21 LEU 23 3HD2 LEU 23 4.635 7.270 2.611 189 HD22 LEU 23 1HD2 LEU 23 4.579 8.356 4.003 190 HD23 LEU 23 2HD2 LEU 23 5.973 8.377 2.920 191 H LEU 24 HN LEU 24 7.095 3.864 6.451 192 HA LEU 24 HA LEU 24 4.584 2.349 6.066 193 HB2 LEU 24 2HB LEU 24 6.762 2.044 8.130 194 HB3 LEU 24 3HB LEU 24 5.186 1.306 8.306 195 HG LEU 24 HG LEU 24 5.619 0.072 6.154 196 HD11 LEU 24 1HD1 LEU 24 7.346 1.526 5.248 197 HD12 LEU 24 2HD1 LEU 24 8.428 1.049 6.556 198 HD13 LEU 24 3HD1 LEU 24 7.891 -0.146 5.377 199 HD21 LEU 24 3HD2 LEU 24 7.521 -0.409 8.433 200 HD22 LEU 24 1HD2 LEU 24 5.861 -0.995 8.318 201 HD23 LEU 24 2HD2 LEU 24 7.085 -1.580 7.188 202 H ALA 25 HN ALA 25 2.802 2.928 7.164 203 HA ALA 25 HA ALA 25 3.068 5.215 9.007 204 HB1 ALA 25 1HB ALA 25 1.870 5.712 6.893 205 HB2 ALA 25 2HB ALA 25 0.665 4.501 7.332 206 HB3 ALA 25 3HB ALA 25 0.873 5.941 8.332 207 H GLN 26 HN GLN 26 2.652 4.763 11.047 208 HA GLN 26 HA GLN 26 1.749 2.231 11.857 209 HB2 GLN 26 2HB GLN 26 3.258 3.597 13.210 210 HB3 GLN 26 3HB GLN 26 1.970 4.760 13.491 211 HG2 GLN 26 2HG GLN 26 0.724 3.185 14.767 212 HG3 GLN 26 3HG GLN 26 1.819 1.878 14.321 213 HE21 GLN 26 1HE2 GLN 26 3.803 1.715 15.313 214 HE22 GLN 26 2HE2 GLN 26 4.205 2.602 16.742 215 H ARG 27 HN ARG 27 -0.143 1.429 11.813 216 HA ARG 27 HA ARG 27 -2.358 2.449 13.200 217 HB2 ARG 27 2HB ARG 27 -2.539 3.905 11.174 218 HB3 ARG 27 3HB ARG 27 -2.669 2.456 10.185 219 HG2 ARG 27 2HG ARG 27 -4.699 1.840 11.512 220 HG3 ARG 27 3HG ARG 27 -4.601 3.430 12.269 221 HD2 ARG 27 2HD ARG 27 -4.651 4.394 9.928 222 HD3 ARG 27 3HD ARG 27 -5.089 2.777 9.377 223 HE ARG 27 HE ARG 27 -6.831 3.437 11.439 224 HH11 ARG 27 2HH1 ARG 27 -6.125 4.433 8.155 225 HH12 ARG 27 1HH1 ARG 27 -7.674 5.183 7.918 226 HH21 ARG 27 2HH2 ARG 27 -8.873 4.414 11.107 227 HH22 ARG 27 1HH2 ARG 27 -9.218 5.188 9.584 228 HA PRO 28 HA PRO 28 -2.945 -1.971 12.614 229 HB2 PRO 28 2HB PRO 28 -4.796 -2.365 14.494 230 HB3 PRO 28 3HB PRO 28 -3.131 -1.973 14.905 231 HG2 PRO 28 2HG PRO 28 -5.535 -0.244 14.932 232 HG3 PRO 28 3HG PRO 28 -4.166 -0.275 16.056 233 HD2 PRO 28 2HD PRO 28 -4.507 1.531 13.947 234 HD3 PRO 28 3HD PRO 28 -2.984 1.208 14.798 235 H ALA 29 HN ALA 29 -5.490 0.361 12.573 236 HA ALA 29 HA ALA 29 -7.298 0.686 11.266 237 HB1 ALA 29 1HB ALA 29 -5.871 0.018 9.401 238 HB2 ALA 29 2HB ALA 29 -6.317 -1.667 9.671 239 HB3 ALA 29 3HB ALA 29 -7.540 -0.502 9.165 240 H GLN 30 HN GLN 30 -7.181 -2.805 10.926 241 HA GLN 30 HA GLN 30 -9.869 -2.954 12.068 242 HB2 GLN 30 2HB GLN 30 -9.641 -5.402 11.230 243 HB3 GLN 30 3HB GLN 30 -9.879 -4.117 10.056 244 HG2 GLN 30 2HG GLN 30 -7.604 -4.157 9.414 245 HG3 GLN 30 3HG GLN 30 -7.165 -5.182 10.777 246 HE21 GLN 30 1HE2 GLN 30 -9.505 -6.889 10.462 247 HE22 GLN 30 2HE2 GLN 30 -9.239 -7.865 9.063 248 H SER 31 HN SER 31 -6.596 -3.700 12.770 249 HA SER 31 HA SER 31 -7.149 -5.603 14.847 250 HB2 SER 31 2HB SER 31 -4.670 -4.080 14.041 251 HB3 SER 31 3HB SER 31 -4.702 -5.205 15.396 252 HG SER 31 HG SER 31 -5.616 -6.719 13.714 253 H ASP 32 HN ASP 32 -6.992 -5.286 17.075 254 HA ASP 32 HA ASP 32 -7.598 -2.542 17.920 255 HB2 ASP 32 2HB ASP 32 -7.940 -5.136 19.431 256 HB3 ASP 32 3HB ASP 32 -8.493 -3.553 19.964 257 H GLN 33 HN GLN 33 -4.950 -4.230 17.540 258 HA GLN 33 HA GLN 33 -3.807 -4.201 20.162 259 HB2 GLN 33 2HB GLN 33 -2.314 -4.577 17.589 260 HB3 GLN 33 3HB GLN 33 -1.915 -5.214 19.180 261 HG2 GLN 33 2HG GLN 33 -3.874 -6.669 19.085 262 HG3 GLN 33 3HG GLN 33 -4.265 -6.029 17.493 263 HE21 GLN 33 1HE2 GLN 33 -2.043 -8.019 19.306 264 HE22 GLN 33 2HE2 GLN 33 -1.309 -8.774 17.930 265 H ALA 34 HN ALA 34 -3.613 -2.244 17.322 266 HA ALA 34 HA ALA 34 -2.576 -0.321 16.801 267 HB1 ALA 34 1HB ALA 34 -3.633 0.557 18.836 268 HB2 ALA 34 2HB ALA 34 -2.220 0.056 19.769 269 HB3 ALA 34 3HB ALA 34 -2.063 1.303 18.530 270 H GLY 35 HN GLY 35 -0.359 0.895 17.120 271 HA2 GLY 35 2HA GLY 35 1.948 0.799 17.335 272 HA3 GLY 35 3HA GLY 35 1.800 -0.798 18.042 273 H LEU 36 HN LEU 36 0.033 -1.296 15.544 274 HA LEU 36 HA LEU 36 2.072 -2.542 13.978 275 HB2 LEU 36 2HB LEU 36 -0.914 -2.365 13.863 276 HB3 LEU 36 3HB LEU 36 -0.036 -2.964 12.473 277 HG LEU 36 HG LEU 36 0.737 -4.870 13.647 278 HD11 LEU 36 1HD1 LEU 36 -0.351 -3.629 16.172 279 HD12 LEU 36 2HD1 LEU 36 0.352 -5.240 16.035 280 HD13 LEU 36 3HD1 LEU 36 1.353 -3.815 15.762 281 HD21 LEU 36 3HD2 LEU 36 -2.098 -4.304 14.474 282 HD22 LEU 36 1HD2 LEU 36 -1.578 -4.968 12.923 283 HD23 LEU 36 2HD2 LEU 36 -1.342 -5.896 14.406 284 H TRP 37 HN TRP 37 2.388 -2.202 11.703 285 HA TRP 37 HA TRP 37 1.914 0.597 10.899 286 HB2 TRP 37 2HB TRP 37 4.192 -1.220 10.073 287 HB3 TRP 37 3HB TRP 37 3.977 0.462 9.597 288 HD1 TRP 37 1HD TRP 37 4.824 -1.668 12.690 289 HE1 TRP 37 1HE TRP 37 6.071 -0.186 14.382 290 HE3 TRP 37 3HE TRP 37 4.415 2.827 10.292 291 HZ2 TRP 37 2HZ TRP 37 6.797 2.528 14.663 292 HZ3 TRP 37 3HZ TRP 37 5.412 4.817 11.337 293 HH2 TRP 37 2HH TRP 37 6.578 4.670 13.477 294 H GLU 38 HN GLU 38 1.244 1.002 8.797 295 HA GLU 38 HA GLU 38 0.654 -1.325 7.106 296 HB2 GLU 38 2HB GLU 38 -1.528 -0.300 6.496 297 HB3 GLU 38 3HB GLU 38 -1.451 -0.776 8.186 298 HG2 GLU 38 2HG GLU 38 -1.136 1.484 8.881 299 HG3 GLU 38 3HG GLU 38 -0.963 2.025 7.215 300 H PHE 39 HN PHE 39 0.462 -0.820 4.845 301 HA PHE 39 HA PHE 39 2.133 1.409 4.067 302 HB2 PHE 39 2HB PHE 39 0.848 -0.854 2.563 303 HB3 PHE 39 3HB PHE 39 1.582 0.499 1.710 304 HD1 PHE 39 2HD PHE 39 2.537 -1.540 4.665 305 HD2 PHE 39 1HD PHE 39 3.587 -0.038 0.839 306 HE1 PHE 39 2HE PHE 39 4.725 -2.624 4.851 307 HE2 PHE 39 1HE PHE 39 5.776 -1.107 1.015 308 HZ PHE 39 HZ PHE 39 6.365 -2.411 3.024 309 H ALA 40 HN ALA 40 1.420 3.346 3.543 310 HA ALA 40 HA ALA 40 -1.234 4.120 3.900 311 HB1 ALA 40 1HB ALA 40 -0.561 6.285 3.074 312 HB2 ALA 40 2HB ALA 40 0.710 5.624 4.103 313 HB3 ALA 40 3HB ALA 40 0.891 5.591 2.348 314 H GLY 41 HN GLY 41 -2.856 4.763 2.455 315 HA2 GLY 41 2HA GLY 41 -2.833 4.745 -0.287 316 HA3 GLY 41 3HA GLY 41 -3.085 3.066 0.180 317 H GLY 42 HN GLY 42 -5.177 2.734 -0.301 318 HA2 GLY 42 2HA GLY 42 -7.213 3.486 1.381 319 HA3 GLY 42 3HA GLY 42 -7.191 4.730 0.141 320 H LYS 43 HN LYS 43 -9.180 4.181 -0.646 321 HA LYS 43 HA LYS 43 -9.411 1.499 -1.851 322 HB2 LYS 43 2HB LYS 43 -11.024 1.820 -0.026 323 HB3 LYS 43 3HB LYS 43 -11.654 3.256 -0.819 324 HG2 LYS 43 2HG LYS 43 -12.444 1.898 -2.672 325 HG3 LYS 43 3HG LYS 43 -11.754 0.458 -1.926 326 HD2 LYS 43 2HD LYS 43 -13.932 0.270 -1.241 327 HD3 LYS 43 3HD LYS 43 -13.255 1.178 0.109 328 HE2 LYS 43 2HE LYS 43 -14.751 2.347 -2.238 329 HE3 LYS 43 3HE LYS 43 -15.412 2.080 -0.628 330 HZ1 LYS 43 3HZ LYS 43 -13.604 3.615 0.186 331 HZ2 LYS 43 1HZ LYS 43 -14.823 4.342 -0.748 332 HZ3 LYS 43 2HZ LYS 43 -13.318 4.012 -1.440 333 H VAL 44 HN VAL 44 -10.477 1.358 -3.882 334 HA VAL 44 HA VAL 44 -10.102 3.789 -5.484 335 HB VAL 44 HB VAL 44 -10.466 0.930 -6.410 336 HG11 VAL 44 1HG1 VAL 44 -11.201 2.552 -8.071 337 HG12 VAL 44 2HG1 VAL 44 -9.661 3.403 -7.940 338 HG13 VAL 44 3HG1 VAL 44 -9.709 1.761 -8.584 339 HG21 VAL 44 3HG2 VAL 44 -7.956 2.588 -6.210 340 HG22 VAL 44 1HG2 VAL 44 -8.375 1.209 -5.194 341 HG23 VAL 44 2HG2 VAL 44 -8.075 0.977 -6.916 342 H GLU 45 HN GLU 45 -11.863 4.942 -5.915 343 HA GLU 45 HA GLU 45 -14.495 3.747 -5.766 344 HB2 GLU 45 2HB GLU 45 -13.393 6.395 -5.608 345 HB3 GLU 45 3HB GLU 45 -14.617 6.363 -6.869 346 HG2 GLU 45 2HG GLU 45 -15.494 7.025 -4.658 347 HG3 GLU 45 3HG GLU 45 -16.277 5.595 -5.326 348 HA PRO 46 HA PRO 46 -14.735 2.385 -9.885 349 HB2 PRO 46 2HB PRO 46 -17.368 2.951 -10.485 350 HB3 PRO 46 3HB PRO 46 -16.818 1.547 -9.567 351 HG2 PRO 46 2HG PRO 46 -17.921 4.144 -8.583 352 HG3 PRO 46 3HG PRO 46 -18.216 2.500 -7.986 353 HD2 PRO 46 2HD PRO 46 -16.556 4.181 -6.715 354 HD3 PRO 46 3HD PRO 46 -16.226 2.438 -6.805 355 H ASP 47 HN ASP 47 -15.024 5.679 -9.218 356 HA ASP 47 HA ASP 47 -15.187 6.302 -12.088 357 HB2 ASP 47 2HB ASP 47 -16.222 7.837 -9.718 358 HB3 ASP 47 3HB ASP 47 -15.933 8.620 -11.270 359 H GLU 48 HN GLU 48 -12.961 5.841 -9.920 360 HA GLU 48 HA GLU 48 -11.243 7.859 -11.170 361 HB2 GLU 48 2HB GLU 48 -9.994 8.185 -9.085 362 HB3 GLU 48 3HB GLU 48 -11.668 8.682 -8.922 363 HG2 GLU 48 2HG GLU 48 -12.111 6.467 -7.836 364 HG3 GLU 48 3HG GLU 48 -10.361 6.229 -7.809 365 H SER 49 HN SER 49 -8.959 7.245 -11.165 366 HA SER 49 HA SER 49 -8.768 4.445 -11.852 367 HB2 SER 49 2HB SER 49 -6.738 6.677 -12.083 368 HB3 SER 49 3HB SER 49 -6.588 5.068 -12.785 369 HG SER 49 HG SER 49 -8.232 5.497 -14.168 370 H GLN 50 HN GLN 50 -6.939 3.141 -11.169 371 HA GLN 50 HA GLN 50 -6.739 2.899 -8.399 372 HB2 GLN 50 2HB GLN 50 -4.806 1.875 -10.488 373 HB3 GLN 50 3HB GLN 50 -4.960 1.274 -8.841 374 HG2 GLN 50 2HG GLN 50 -7.116 0.396 -9.266 375 HG3 GLN 50 3HG GLN 50 -7.217 1.222 -10.820 376 HE21 GLN 50 1HE2 GLN 50 -7.541 -1.579 -10.260 377 HE22 GLN 50 2HE2 GLN 50 -6.337 -2.412 -11.189 378 H ARG 51 HN ARG 51 -4.500 4.397 -10.716 379 HA ARG 51 HA ARG 51 -2.553 5.097 -8.752 380 HB2 ARG 51 2HB ARG 51 -3.037 6.465 -11.403 381 HB3 ARG 51 3HB ARG 51 -1.568 6.520 -10.442 382 HG2 ARG 51 2HG ARG 51 -1.310 4.076 -10.807 383 HG3 ARG 51 3HG ARG 51 -2.690 4.144 -11.905 384 HD2 ARG 51 2HD ARG 51 -1.460 5.867 -13.225 385 HD3 ARG 51 3HD ARG 51 -0.064 5.593 -12.188 386 HE ARG 51 HE ARG 51 -1.217 3.341 -13.669 387 HH11 ARG 51 2HH1 ARG 51 1.443 5.549 -13.097 388 HH12 ARG 51 1HH1 ARG 51 2.560 4.659 -14.077 389 HH21 ARG 51 2HH2 ARG 51 0.248 2.170 -14.977 390 HH22 ARG 51 1HH2 ARG 51 1.889 2.735 -15.136 391 H GLN 52 HN GLN 52 -5.449 6.618 -9.982 392 HA GLN 52 HA GLN 52 -4.869 9.254 -9.075 393 HB2 GLN 52 2HB GLN 52 -6.495 8.781 -10.875 394 HB3 GLN 52 3HB GLN 52 -7.527 7.954 -9.717 395 HG2 GLN 52 2HG GLN 52 -8.416 10.129 -10.089 396 HG3 GLN 52 3HG GLN 52 -7.732 10.090 -8.466 397 HE21 GLN 52 1HE2 GLN 52 -7.424 11.341 -11.683 398 HE22 GLN 52 2HE2 GLN 52 -6.247 12.558 -11.314 399 H ALA 53 HN ALA 53 -6.717 6.526 -7.820 400 HA ALA 53 HA ALA 53 -7.765 7.747 -5.539 401 HB1 ALA 53 1HB ALA 53 -8.504 5.573 -6.400 402 HB2 ALA 53 2HB ALA 53 -6.976 4.854 -5.888 403 HB3 ALA 53 3HB ALA 53 -8.096 5.497 -4.685 404 H LEU 54 HN LEU 54 -4.707 5.947 -5.958 405 HA LEU 54 HA LEU 54 -3.800 6.203 -3.321 406 HB2 LEU 54 2HB LEU 54 -2.397 5.885 -5.952 407 HB3 LEU 54 3HB LEU 54 -1.478 6.127 -4.479 408 HG LEU 54 HG LEU 54 -3.376 3.850 -5.028 409 HD11 LEU 54 1HD1 LEU 54 -0.370 3.970 -4.827 410 HD12 LEU 54 2HD1 LEU 54 -1.322 2.490 -4.942 411 HD13 LEU 54 3HD1 LEU 54 -1.319 3.641 -6.275 412 HD21 LEU 54 3HD2 LEU 54 -1.713 4.527 -2.608 413 HD22 LEU 54 1HD2 LEU 54 -3.470 4.425 -2.703 414 HD23 LEU 54 2HD2 LEU 54 -2.493 2.968 -2.877 415 H VAL 55 HN VAL 55 -3.380 8.298 -6.123 416 HA VAL 55 HA VAL 55 -1.572 10.099 -4.964 417 HB VAL 55 HB VAL 55 -3.536 10.453 -7.230 418 HG11 VAL 55 1HG1 VAL 55 -3.130 12.638 -6.221 419 HG12 VAL 55 2HG1 VAL 55 -1.389 12.367 -6.308 420 HG13 VAL 55 3HG1 VAL 55 -2.333 12.518 -7.790 421 HG21 VAL 55 3HG2 VAL 55 -0.537 10.111 -7.144 422 HG22 VAL 55 1HG2 VAL 55 -1.711 8.893 -7.642 423 HG23 VAL 55 2HG2 VAL 55 -1.497 10.357 -8.603 424 H ARG 56 HN ARG 56 -5.134 10.151 -5.104 425 HA ARG 56 HA ARG 56 -5.234 12.670 -3.749 426 HB2 ARG 56 2HB ARG 56 -7.673 12.352 -3.711 427 HB3 ARG 56 3HB ARG 56 -6.986 12.154 -5.310 428 HG2 ARG 56 2HG ARG 56 -8.352 10.384 -5.374 429 HG3 ARG 56 3HG ARG 56 -7.030 9.591 -4.518 430 HD2 ARG 56 2HD ARG 56 -8.132 9.626 -2.502 431 HD3 ARG 56 3HD ARG 56 -9.098 11.038 -2.934 432 HE ARG 56 HE ARG 56 -9.818 8.901 -4.620 433 HH11 ARG 56 2HH1 ARG 56 -9.978 9.688 -1.202 434 HH12 ARG 56 1HH1 ARG 56 -11.523 8.931 -0.977 435 HH21 ARG 56 2HH2 ARG 56 -11.858 7.940 -4.332 436 HH22 ARG 56 1HH2 ARG 56 -12.591 7.927 -2.748 437 H GLU 57 HN GLU 57 -5.792 9.291 -2.759 438 HA GLU 57 HA GLU 57 -6.538 9.865 -0.121 439 HB2 GLU 57 2HB GLU 57 -5.158 7.444 -1.283 440 HB3 GLU 57 3HB GLU 57 -5.686 7.531 0.391 441 HG2 GLU 57 2HG GLU 57 -7.507 7.851 -1.984 442 HG3 GLU 57 3HG GLU 57 -7.249 6.338 -1.118 443 H LEU 58 HN LEU 58 -3.286 9.300 -1.478 444 HA LEU 58 HA LEU 58 -1.955 9.572 1.019 445 HB2 LEU 58 2HB LEU 58 -0.800 10.261 -1.668 446 HB3 LEU 58 3HB LEU 58 0.084 9.876 -0.212 447 HG LEU 58 HG LEU 58 -1.594 7.973 -1.825 448 HD11 LEU 58 1HD1 LEU 58 0.531 6.866 -2.278 449 HD12 LEU 58 2HD1 LEU 58 0.531 8.529 -2.865 450 HD13 LEU 58 3HD1 LEU 58 1.377 8.122 -1.374 451 HD21 LEU 58 3HD2 LEU 58 -0.016 7.492 0.691 452 HD22 LEU 58 1HD2 LEU 58 -1.773 7.451 0.533 453 HD23 LEU 58 2HD2 LEU 58 -0.784 6.250 -0.297 454 H ARG 59 HN ARG 59 -2.931 11.864 -1.465 455 HA ARG 59 HA ARG 59 -1.699 14.143 -0.430 456 HB2 ARG 59 2HB ARG 59 -2.715 14.133 -2.628 457 HB3 ARG 59 3HB ARG 59 -4.306 13.867 -1.929 458 HG2 ARG 59 2HG ARG 59 -4.286 16.042 -0.919 459 HG3 ARG 59 3HG ARG 59 -2.625 16.311 -1.445 460 HD2 ARG 59 2HD ARG 59 -3.402 16.098 -3.801 461 HD3 ARG 59 3HD ARG 59 -5.056 16.007 -3.197 462 HE ARG 59 HE ARG 59 -4.714 18.268 -2.287 463 HH11 ARG 59 2HH1 ARG 59 -2.660 17.130 -4.888 464 HH12 ARG 59 1HH1 ARG 59 -2.159 18.728 -5.364 465 HH21 ARG 59 2HH2 ARG 59 -4.116 20.376 -2.954 466 HH22 ARG 59 1HH2 ARG 59 -3.018 20.574 -4.296 467 H GLU 60 HN GLU 60 -4.662 12.520 0.515 468 HA GLU 60 HA GLU 60 -5.339 14.680 2.321 469 HB2 GLU 60 2HB GLU 60 -6.726 12.025 1.935 470 HB3 GLU 60 3HB GLU 60 -7.347 13.394 2.847 471 HG2 GLU 60 2HG GLU 60 -7.107 14.675 0.613 472 HG3 GLU 60 3HG GLU 60 -7.044 13.074 -0.105 473 H GLU 61 HN GLU 61 -4.155 11.368 2.508 474 HA GLU 61 HA GLU 61 -4.243 11.382 5.394 475 HB2 GLU 61 2HB GLU 61 -3.345 9.377 3.352 476 HB3 GLU 61 3HB GLU 61 -2.912 9.189 5.055 477 HG2 GLU 61 2HG GLU 61 -5.714 9.491 4.067 478 HG3 GLU 61 3HG GLU 61 -4.915 7.956 4.449 479 H LEU 62 HN LEU 62 -1.660 11.351 2.930 480 HA LEU 62 HA LEU 62 0.270 11.762 5.093 481 HB2 LEU 62 2HB LEU 62 0.809 11.255 2.171 482 HB3 LEU 62 3HB LEU 62 1.962 11.173 3.487 483 HG LEU 62 HG LEU 62 -0.368 9.290 3.063 484 HD11 LEU 62 1HD1 LEU 62 2.608 8.923 2.703 485 HD12 LEU 62 2HD1 LEU 62 1.401 7.643 2.596 486 HD13 LEU 62 3HD1 LEU 62 1.392 8.963 1.427 487 HD21 LEU 62 3HD2 LEU 62 1.829 9.266 5.139 488 HD22 LEU 62 1HD2 LEU 62 0.125 9.606 5.433 489 HD23 LEU 62 2HD2 LEU 62 0.624 8.002 4.899 490 H GLY 63 HN GLY 63 -1.211 13.400 2.392 491 HA2 GLY 63 2HA GLY 63 -1.359 15.727 2.205 492 HA3 GLY 63 3HA GLY 63 -0.093 15.886 3.420 493 H ILE 64 HN ILE 64 0.199 13.737 0.699 494 HA ILE 64 HA ILE 64 2.194 15.549 -0.472 495 HB ILE 64 HB ILE 64 3.584 13.610 -1.073 496 HG12 ILE 64 2HG1 ILE 64 1.703 12.025 0.702 497 HG13 ILE 64 3HG1 ILE 64 1.834 11.871 -1.046 498 HG21 ILE 64 1HG2 ILE 64 4.491 13.179 1.158 499 HG22 ILE 64 2HG2 ILE 64 4.119 14.885 0.907 500 HG23 ILE 64 3HG2 ILE 64 3.039 13.880 1.874 501 HD11 ILE 64 3HD1 ILE 64 4.118 11.083 -0.829 502 HD12 ILE 64 1HD1 ILE 64 4.042 11.287 0.921 503 HD13 ILE 64 2HD1 ILE 64 3.022 10.084 0.127 504 H GLU 65 HN GLU 65 2.374 15.587 -2.654 505 HA GLU 65 HA GLU 65 0.243 14.320 -4.195 506 HB2 GLU 65 2HB GLU 65 2.375 16.306 -5.007 507 HB3 GLU 65 3HB GLU 65 1.080 15.742 -6.045 508 HG2 GLU 65 2HG GLU 65 -0.567 16.778 -4.611 509 HG3 GLU 65 3HG GLU 65 0.692 17.253 -3.473 510 H ALA 66 HN ALA 66 0.820 12.200 -4.360 511 HA ALA 66 HA ALA 66 3.576 11.459 -4.808 512 HB1 ALA 66 1HB ALA 66 2.174 10.180 -3.260 513 HB2 ALA 66 2HB ALA 66 1.120 9.721 -4.598 514 HB3 ALA 66 3HB ALA 66 2.796 9.172 -4.567 515 H THR 67 HN THR 67 4.320 10.168 -6.512 516 HA THR 67 HA THR 67 2.742 10.371 -8.986 517 HB THR 67 HB THR 67 5.756 10.224 -8.685 518 HG1 THR 67 1HG THR 67 3.930 12.354 -9.126 519 HG21 THR 67 3HG2 THR 67 5.808 10.687 -11.090 520 HG22 THR 67 1HG2 THR 67 4.046 10.637 -11.142 521 HG23 THR 67 2HG2 THR 67 4.958 9.178 -10.754 522 H VAL 68 HN VAL 68 1.757 8.452 -9.190 523 HA VAL 68 HA VAL 68 2.981 6.009 -8.278 524 HB VAL 68 HB VAL 68 0.422 6.375 -9.836 525 HG11 VAL 68 1HG1 VAL 68 1.426 4.043 -8.212 526 HG12 VAL 68 2HG1 VAL 68 -0.153 4.156 -8.990 527 HG13 VAL 68 3HG1 VAL 68 1.312 4.115 -9.972 528 HG21 VAL 68 3HG2 VAL 68 0.834 6.110 -6.860 529 HG22 VAL 68 1HG2 VAL 68 0.378 7.587 -7.709 530 HG23 VAL 68 2HG2 VAL 68 -0.721 6.205 -7.688 531 H GLY 69 HN GLY 69 4.158 4.627 -9.477 532 HA2 GLY 69 2HA GLY 69 4.247 5.155 -12.378 533 HA3 GLY 69 3HA GLY 69 5.682 4.815 -11.430 534 H GLU 70 HN GLU 70 5.988 2.687 -10.609 535 HA GLU 70 HA GLU 70 4.938 0.747 -12.511 536 HB2 GLU 70 2HB GLU 70 6.852 -0.668 -11.557 537 HB3 GLU 70 3HB GLU 70 7.271 0.740 -12.522 538 HG2 GLU 70 2HG GLU 70 7.637 2.021 -10.449 539 HG3 GLU 70 3HG GLU 70 7.290 0.563 -9.524 540 H TYR 71 HN TYR 71 3.820 -0.992 -12.040 541 HA TYR 71 HA TYR 71 2.596 -1.284 -9.455 542 HB2 TYR 71 2HB TYR 71 1.133 -1.710 -11.203 543 HB3 TYR 71 3HB TYR 71 2.348 -2.550 -12.156 544 HD1 TYR 71 2HD TYR 71 0.273 -2.914 -9.080 545 HD2 TYR 71 1HD TYR 71 2.364 -4.861 -12.229 546 HE1 TYR 71 2HE TYR 71 -0.650 -5.079 -8.351 547 HE2 TYR 71 1HE TYR 71 1.450 -7.025 -11.516 548 HH TYR 71 HH TYR 71 0.511 -8.082 -9.626 549 H VAL 72 HN VAL 72 3.139 -2.681 -7.859 550 HA VAL 72 HA VAL 72 5.517 -4.333 -8.267 551 HB VAL 72 HB VAL 72 3.996 -3.723 -5.731 552 HG11 VAL 72 1HG1 VAL 72 6.673 -5.051 -6.121 553 HG12 VAL 72 2HG1 VAL 72 5.970 -4.592 -4.570 554 HG13 VAL 72 3HG1 VAL 72 5.190 -5.826 -5.558 555 HG21 VAL 72 3HG2 VAL 72 5.844 -2.211 -5.207 556 HG22 VAL 72 1HG2 VAL 72 6.566 -2.548 -6.780 557 HG23 VAL 72 2HG2 VAL 72 5.010 -1.726 -6.683 558 H ALA 73 HN ALA 73 2.545 -4.857 -6.355 559 HA ALA 73 HA ALA 73 2.008 -7.342 -7.743 560 HB1 ALA 73 1HB ALA 73 2.206 -8.771 -5.779 561 HB2 ALA 73 2HB ALA 73 3.755 -8.031 -6.178 562 HB3 ALA 73 3HB ALA 73 2.800 -7.409 -4.831 563 H SER 74 HN SER 74 0.103 -8.482 -6.750 564 HA SER 74 HA SER 74 -1.636 -6.671 -5.250 565 HB2 SER 74 2HB SER 74 -3.541 -7.570 -6.724 566 HB3 SER 74 3HB SER 74 -2.456 -6.383 -7.450 567 HG SER 74 HG SER 74 -1.496 -7.949 -8.634 568 H HIS 75 HN HIS 75 -3.119 -7.681 -3.895 569 HA HIS 75 HA HIS 75 -2.872 -10.595 -3.630 570 HB2 HIS 75 2HB HIS 75 -1.356 -9.542 -1.987 571 HB3 HIS 75 3HB HIS 75 -2.709 -8.624 -1.337 572 HD1 HIS 75 1HD HIS 75 -1.621 -12.242 -1.746 573 HD2 HIS 75 2HD HIS 75 -4.018 -9.870 0.694 574 HE1 HIS 75 1HE HIS 75 -2.416 -13.751 0.103 575 HE2 HIS 75 2HE HIS 75 -3.622 -12.221 1.701 576 H GLN 76 HN GLN 76 -4.774 -11.588 -3.293 577 HA GLN 76 HA GLN 76 -7.114 -9.889 -2.840 578 HB2 GLN 76 2HB GLN 76 -6.761 -12.555 -4.150 579 HB3 GLN 76 3HB GLN 76 -8.329 -12.108 -3.490 580 HG2 GLN 76 2HG GLN 76 -8.259 -10.052 -4.879 581 HG3 GLN 76 3HG GLN 76 -6.780 -10.660 -5.624 582 HE21 GLN 76 1HE2 GLN 76 -6.893 -12.342 -7.075 583 HE22 GLN 76 2HE2 GLN 76 -8.390 -12.930 -7.719 584 H ARG 77 HN ARG 77 -8.460 -10.169 -1.197 585 HA ARG 77 HA ARG 77 -8.353 -12.505 0.503 586 HB2 ARG 77 2HB ARG 77 -8.014 -11.249 2.572 587 HB3 ARG 77 3HB ARG 77 -6.631 -11.008 1.516 588 HG2 ARG 77 2HG ARG 77 -7.617 -8.842 0.812 589 HG3 ARG 77 3HG ARG 77 -8.891 -9.084 2.010 590 HD2 ARG 77 2HD ARG 77 -5.951 -9.025 2.661 591 HD3 ARG 77 3HD ARG 77 -7.000 -7.614 2.757 592 HE ARG 77 HE ARG 77 -7.664 -10.021 4.321 593 HH11 ARG 77 2HH1 ARG 77 -6.664 -6.652 4.213 594 HH12 ARG 77 1HH1 ARG 77 -6.909 -6.392 5.910 595 HH21 ARG 77 2HH2 ARG 77 -7.974 -9.675 6.566 596 HH22 ARG 77 1HH2 ARG 77 -7.650 -8.103 7.245 597 H GLU 78 HN GLU 78 -10.217 -12.117 2.247 598 HA GLU 78 HA GLU 78 -12.243 -10.466 0.887 599 HB2 GLU 78 2HB GLU 78 -13.952 -12.027 1.383 600 HB3 GLU 78 3HB GLU 78 -12.611 -12.965 0.738 601 HG2 GLU 78 2HG GLU 78 -11.990 -13.689 2.934 602 HG3 GLU 78 3HG GLU 78 -13.187 -12.622 3.661 603 H VAL 79 HN VAL 79 -13.735 -9.374 2.120 604 HA VAL 79 HA VAL 79 -13.203 -9.302 5.002 605 HB VAL 79 HB VAL 79 -12.562 -7.147 4.234 606 HG11 VAL 79 1HG1 VAL 79 -15.149 -7.077 2.700 607 HG12 VAL 79 2HG1 VAL 79 -14.109 -5.675 2.951 608 HG13 VAL 79 3HG1 VAL 79 -13.509 -7.060 2.042 609 HG21 VAL 79 3HG2 VAL 79 -13.863 -7.131 6.278 610 HG22 VAL 79 1HG2 VAL 79 -14.175 -5.669 5.340 611 HG23 VAL 79 2HG2 VAL 79 -15.355 -6.981 5.348 612 H SER 80 HN SER 80 -14.663 -10.796 5.554 613 HA SER 80 HA SER 80 -16.615 -11.921 5.784 614 HB2 SER 80 2HB SER 80 -17.641 -9.090 6.042 615 HB3 SER 80 3HB SER 80 -18.445 -10.542 6.645 616 HG SER 80 HG SER 80 -15.913 -10.531 7.508 617 H GLY 81 HN GLY 81 -16.419 -12.567 3.458 618 HA2 GLY 81 2HA GLY 81 -17.758 -13.292 1.729 619 HA3 GLY 81 3HA GLY 81 -18.991 -12.144 2.216 620 H ARG 82 HN ARG 82 -16.832 -9.958 2.068 621 HA ARG 82 HA ARG 82 -17.233 -9.475 -0.792 622 HB2 ARG 82 2HB ARG 82 -16.130 -7.583 1.288 623 HB3 ARG 82 3HB ARG 82 -16.688 -7.168 -0.327 624 HG2 ARG 82 2HG ARG 82 -18.956 -7.769 0.282 625 HG3 ARG 82 3HG ARG 82 -18.413 -8.251 1.889 626 HD2 ARG 82 2HD ARG 82 -17.550 -5.880 2.147 627 HD3 ARG 82 3HD ARG 82 -18.468 -5.500 0.689 628 HE ARG 82 HE ARG 82 -20.079 -6.829 2.630 629 HH11 ARG 82 2HH1 ARG 82 -18.748 -3.703 1.754 630 HH12 ARG 82 1HH1 ARG 82 -19.904 -2.804 2.691 631 HH21 ARG 82 2HH2 ARG 82 -21.609 -5.657 3.842 632 HH22 ARG 82 1HH2 ARG 82 -21.571 -3.920 3.841 633 H ILE 83 HN ILE 83 -15.568 -9.295 -2.249 634 HA ILE 83 HA ILE 83 -13.055 -10.436 -1.276 635 HB ILE 83 HB ILE 83 -14.260 -10.258 -4.034 636 HG12 ILE 83 2HG1 ILE 83 -13.870 -12.746 -3.942 637 HG13 ILE 83 3HG1 ILE 83 -13.373 -12.551 -2.267 638 HG21 ILE 83 1HG2 ILE 83 -11.453 -11.114 -3.334 639 HG22 ILE 83 2HG2 ILE 83 -12.222 -11.324 -4.908 640 HG23 ILE 83 3HG2 ILE 83 -11.914 -9.702 -4.285 641 HD11 ILE 83 3HD1 ILE 83 -16.095 -11.895 -3.378 642 HD12 ILE 83 1HD1 ILE 83 -15.668 -13.336 -2.453 643 HD13 ILE 83 2HD1 ILE 83 -15.591 -11.747 -1.692 644 H ILE 84 HN ILE 84 -11.475 -9.091 -0.796 645 HA ILE 84 HA ILE 84 -11.409 -6.455 -2.044 646 HB ILE 84 HB ILE 84 -9.233 -6.950 -0.194 647 HG12 ILE 84 2HG1 ILE 84 -12.036 -7.565 0.691 648 HG13 ILE 84 3HG1 ILE 84 -10.534 -8.385 1.113 649 HG21 ILE 84 1HG2 ILE 84 -10.167 -4.771 -1.038 650 HG22 ILE 84 2HG2 ILE 84 -11.544 -5.054 0.038 651 HG23 ILE 84 3HG2 ILE 84 -9.921 -4.877 0.708 652 HD11 ILE 84 3HD1 ILE 84 -11.341 -7.163 3.012 653 HD12 ILE 84 1HD1 ILE 84 -9.866 -6.402 2.421 654 HD13 ILE 84 2HD1 ILE 84 -11.442 -5.675 2.058 655 H HIS 85 HN HIS 85 -9.862 -5.736 -3.333 656 HA HIS 85 HA HIS 85 -7.774 -7.634 -4.194 657 HB2 HIS 85 2HB HIS 85 -9.748 -7.027 -5.784 658 HB3 HIS 85 3HB HIS 85 -8.952 -5.470 -5.923 659 HD1 HIS 85 1HD HIS 85 -8.428 -5.782 -8.399 660 HD2 HIS 85 2HD HIS 85 -6.792 -8.720 -5.944 661 HE1 HIS 85 1HE HIS 85 -6.858 -7.108 -9.864 662 HE2 HIS 85 2HE HIS 85 -6.049 -9.000 -8.411 663 H LEU 86 HN LEU 86 -6.014 -6.836 -3.067 664 HA LEU 86 HA LEU 86 -5.673 -3.953 -2.920 665 HB2 LEU 86 2HB LEU 86 -4.267 -6.256 -1.621 666 HB3 LEU 86 3HB LEU 86 -3.561 -4.652 -1.608 667 HG LEU 86 HG LEU 86 -5.920 -3.967 -0.655 668 HD11 LEU 86 1HD1 LEU 86 -6.957 -6.144 -0.879 669 HD12 LEU 86 2HD1 LEU 86 -5.712 -6.861 0.145 670 HD13 LEU 86 3HD1 LEU 86 -6.839 -5.685 0.818 671 HD21 LEU 86 3HD2 LEU 86 -3.759 -5.313 0.947 672 HD22 LEU 86 1HD2 LEU 86 -3.835 -3.609 0.495 673 HD23 LEU 86 2HD2 LEU 86 -5.023 -4.281 1.613 674 H HIS 87 HN HIS 87 -4.390 -2.801 -4.118 675 HA HIS 87 HA HIS 87 -2.490 -4.182 -5.896 676 HB2 HIS 87 2HB HIS 87 -4.227 -1.770 -6.275 677 HB3 HIS 87 3HB HIS 87 -2.722 -1.899 -7.178 678 HD1 HIS 87 1HD HIS 87 -6.226 -2.886 -7.301 679 HD2 HIS 87 2HD HIS 87 -2.618 -4.340 -8.800 680 HE1 HIS 87 1HE HIS 87 -6.835 -4.417 -9.197 681 HE2 HIS 87 2HE HIS 87 -4.633 -5.136 -10.201 682 H ALA 88 HN ALA 88 -0.469 -3.994 -5.173 683 HA ALA 88 HA ALA 88 0.316 -1.643 -3.644 684 HB1 ALA 88 1HB ALA 88 2.453 -2.835 -3.327 685 HB2 ALA 88 2HB ALA 88 1.059 -3.787 -2.809 686 HB3 ALA 88 3HB ALA 88 1.850 -4.144 -4.345 687 H TRP 89 HN TRP 89 0.827 0.095 -4.771 688 HA TRP 89 HA TRP 89 2.287 -0.223 -7.304 689 HB2 TRP 89 2HB TRP 89 0.641 2.060 -6.211 690 HB3 TRP 89 3HB TRP 89 1.646 2.201 -7.649 691 HD1 TRP 89 1HD TRP 89 -1.566 0.517 -6.395 692 HE1 TRP 89 1HE TRP 89 -2.939 -0.227 -8.440 693 HE3 TRP 89 3HE TRP 89 1.827 1.543 -10.079 694 HZ2 TRP 89 2HZ TRP 89 -2.629 -0.365 -11.235 695 HZ3 TRP 89 3HZ TRP 89 1.209 1.077 -12.415 696 HH2 TRP 89 2HH TRP 89 -0.976 0.142 -12.978 697 H HIS 90 HN HIS 90 4.297 0.629 -7.560 698 HA HIS 90 HA HIS 90 5.665 1.459 -5.149 699 HB2 HIS 90 2HB HIS 90 6.678 -0.180 -6.685 700 HB3 HIS 90 3HB HIS 90 6.648 1.009 -7.973 701 HD1 HIS 90 1HD HIS 90 9.225 0.763 -8.239 702 HD2 HIS 90 2HD HIS 90 7.995 2.172 -4.516 703 HE1 HIS 90 1HE HIS 90 11.287 1.678 -7.139 704 HE2 HIS 90 2HE HIS 90 10.576 2.195 -4.784 705 H VAL 91 HN VAL 91 5.610 3.514 -4.569 706 HA VAL 91 HA VAL 91 5.355 5.615 -6.590 707 HB VAL 91 HB VAL 91 5.264 5.816 -3.570 708 HG11 VAL 91 1HG1 VAL 91 4.571 7.835 -5.700 709 HG12 VAL 91 2HG1 VAL 91 4.323 8.046 -3.967 710 HG13 VAL 91 3HG1 VAL 91 5.958 7.895 -4.611 711 HG21 VAL 91 3HG2 VAL 91 2.842 6.085 -3.849 712 HG22 VAL 91 1HG2 VAL 91 3.010 5.782 -5.577 713 HG23 VAL 91 2HG2 VAL 91 3.395 4.512 -4.418 714 HA PRO 92 HA PRO 92 9.812 5.840 -5.947 715 HB2 PRO 92 2HB PRO 92 10.468 6.661 -8.397 716 HB3 PRO 92 3HB PRO 92 9.907 5.011 -8.112 717 HG2 PRO 92 2HG PRO 92 8.426 7.350 -9.231 718 HG3 PRO 92 3HG PRO 92 8.369 5.648 -9.722 719 HD2 PRO 92 2HD PRO 92 6.524 6.911 -8.067 720 HD3 PRO 92 3HD PRO 92 6.760 5.157 -8.193 721 H ASP 93 HN ASP 93 7.546 8.330 -6.532 722 HA ASP 93 HA ASP 93 9.343 10.301 -5.426 723 HB2 ASP 93 2HB ASP 93 9.787 10.341 -7.909 724 HB3 ASP 93 3HB ASP 93 8.113 10.839 -8.134 725 H PHE 94 HN PHE 94 8.282 11.991 -4.463 726 HA PHE 94 HA PHE 94 5.432 12.347 -4.923 727 HB2 PHE 94 2HB PHE 94 4.877 12.217 -2.534 728 HB3 PHE 94 3HB PHE 94 5.525 10.684 -3.110 729 HD1 PHE 94 2HD PHE 94 7.762 9.952 -2.433 730 HD2 PHE 94 1HD PHE 94 6.039 13.533 -0.908 731 HE1 PHE 94 2HE PHE 94 9.437 9.992 -0.635 732 HE2 PHE 94 1HE PHE 94 7.715 13.579 0.889 733 HZ PHE 94 HZ PHE 94 9.418 11.805 1.028 734 H HIS 95 HN HIS 95 4.675 14.407 -4.330 735 HA HIS 95 HA HIS 95 6.804 16.330 -3.691 736 HB2 HIS 95 2HB HIS 95 4.097 16.768 -4.969 737 HB3 HIS 95 3HB HIS 95 5.297 18.017 -4.688 738 HD1 HIS 95 1HD HIS 95 7.471 17.921 -6.164 739 HD2 HIS 95 2HD HIS 95 4.494 15.214 -7.222 740 HE1 HIS 95 1HE HIS 95 8.106 17.061 -8.446 741 HE2 HIS 95 2HE HIS 95 6.377 15.307 -8.993 742 H GLY 96 HN GLY 96 6.766 17.392 -1.799 743 HA2 GLY 96 2HA GLY 96 5.447 18.622 -0.137 744 HA3 GLY 96 3HA GLY 96 4.265 17.323 -0.229 745 H THR 97 HN THR 97 4.549 17.253 2.154 746 HA THR 97 HA THR 97 6.824 15.512 2.818 747 HB THR 97 HB THR 97 5.696 17.553 4.740 748 HG1 THR 97 1HG THR 97 7.104 18.115 2.608 749 HG21 THR 97 3HG2 THR 97 6.855 15.664 5.762 750 HG22 THR 97 1HG2 THR 97 7.812 17.136 5.935 751 HG23 THR 97 2HG2 THR 97 8.251 15.937 4.718 752 H LEU 98 HN LEU 98 6.329 13.860 4.314 753 HA LEU 98 HA LEU 98 3.552 13.125 4.114 754 HB2 LEU 98 2HB LEU 98 4.452 11.027 5.454 755 HB3 LEU 98 3HB LEU 98 4.593 11.182 3.723 756 HG LEU 98 HG LEU 98 6.588 10.258 4.948 757 HD11 LEU 98 1HD1 LEU 98 7.053 12.705 3.260 758 HD12 LEU 98 2HD1 LEU 98 8.201 11.399 3.547 759 HD13 LEU 98 3HD1 LEU 98 6.705 11.085 2.661 760 HD21 LEU 98 3HD2 LEU 98 6.630 11.724 6.866 761 HD22 LEU 98 1HD2 LEU 98 8.140 11.862 5.961 762 HD23 LEU 98 2HD2 LEU 98 6.912 13.122 5.826 763 H GLN 99 HN GLN 99 2.080 13.124 5.577 764 HA GLN 99 HA GLN 99 2.817 13.501 8.395 765 HB2 GLN 99 2HB GLN 99 1.117 15.131 8.694 766 HB3 GLN 99 3HB GLN 99 1.941 15.600 7.206 767 HG2 GLN 99 2HG GLN 99 0.160 14.643 5.881 768 HG3 GLN 99 3HG GLN 99 -0.649 14.067 7.336 769 HE21 GLN 99 1HE2 GLN 99 -1.606 15.872 5.256 770 HE22 GLN 99 2HE2 GLN 99 -2.044 17.334 6.062 771 H ALA 100 HN ALA 100 1.172 12.646 9.870 772 HA ALA 100 HA ALA 100 -0.293 10.429 8.610 773 HB1 ALA 100 1HB ALA 100 -0.255 9.337 10.784 774 HB2 ALA 100 2HB ALA 100 1.373 9.771 10.262 775 HB3 ALA 100 3HB ALA 100 0.550 10.741 11.487 776 H HIS 101 HN HIS 101 -2.242 11.275 8.050 777 HA HIS 101 HA HIS 101 -3.791 12.906 9.813 778 HB2 HIS 101 2HB HIS 101 -3.959 13.096 7.377 779 HB3 HIS 101 3HB HIS 101 -4.538 11.441 7.273 780 HD1 HIS 101 1HD HIS 101 -6.982 11.101 7.373 781 HD2 HIS 101 2HD HIS 101 -5.855 14.885 8.684 782 HE1 HIS 101 1HE HIS 101 -9.131 12.366 7.729 783 HE2 HIS 101 2HE HIS 101 -8.408 14.717 8.295 784 H GLU 102 HN GLU 102 -4.720 9.771 8.367 785 HA GLU 102 HA GLU 102 -6.335 9.144 10.693 786 HB2 GLU 102 2HB GLU 102 -5.967 8.064 7.948 787 HB3 GLU 102 3HB GLU 102 -6.477 6.911 9.186 788 HG2 GLU 102 2HG GLU 102 -8.375 8.445 9.731 789 HG3 GLU 102 3HG GLU 102 -7.902 9.431 8.348 790 H HIS 103 HN HIS 103 -3.184 9.024 10.195 791 HA HIS 103 HA HIS 103 -2.789 6.395 11.463 792 HB2 HIS 103 2HB HIS 103 -0.959 7.913 9.585 793 HB3 HIS 103 3HB HIS 103 -0.540 6.406 10.396 794 HD1 HIS 103 1HD HIS 103 -2.991 7.736 7.793 795 HD2 HIS 103 2HD HIS 103 -1.388 4.133 9.129 796 HE1 HIS 103 1HE HIS 103 -3.726 6.007 6.133 797 HE2 HIS 103 2HE HIS 103 -2.935 3.805 7.078 798 H GLN 104 HN GLN 104 -0.525 6.416 12.654 799 HA GLN 104 HA GLN 104 -0.675 8.729 14.442 800 HB2 GLN 104 2HB GLN 104 -0.889 6.483 15.433 801 HB3 GLN 104 3HB GLN 104 0.725 6.082 14.863 802 HG2 GLN 104 2HG GLN 104 1.703 7.742 16.292 803 HG3 GLN 104 3HG GLN 104 0.112 8.333 16.766 804 HE21 GLN 104 1HE2 GLN 104 -1.006 5.645 16.943 805 HE22 GLN 104 2HE2 GLN 104 -0.373 4.960 18.396 806 H ALA 105 HN ALA 105 1.877 6.772 12.859 807 HA ALA 105 HA ALA 105 3.502 9.180 12.622 808 HB1 ALA 105 1HB ALA 105 5.459 8.144 13.638 809 HB2 ALA 105 2HB ALA 105 4.132 8.256 14.793 810 HB3 ALA 105 3HB ALA 105 4.508 6.712 14.030 811 H LEU 106 HN LEU 106 5.590 8.671 11.411 812 HA LEU 106 HA LEU 106 5.114 6.605 9.368 813 HB2 LEU 106 2HB LEU 106 6.293 9.370 9.050 814 HB3 LEU 106 3HB LEU 106 6.449 8.124 7.834 815 HG LEU 106 HG LEU 106 4.729 9.533 7.095 816 HD11 LEU 106 1HD1 LEU 106 2.726 8.133 7.128 817 HD12 LEU 106 2HD1 LEU 106 4.193 7.205 6.816 818 HD13 LEU 106 3HD1 LEU 106 3.445 7.159 8.412 819 HD21 LEU 106 3HD2 LEU 106 4.299 10.766 9.126 820 HD22 LEU 106 1HD2 LEU 106 2.783 10.152 8.465 821 HD23 LEU 106 2HD2 LEU 106 3.528 9.354 9.852 822 H VAL 107 HN VAL 107 6.822 5.264 8.932 823 HA VAL 107 HA VAL 107 9.471 6.079 9.907 824 HB VAL 107 HB VAL 107 8.414 4.409 11.472 825 HG11 VAL 107 1HG1 VAL 107 8.795 2.521 9.159 826 HG12 VAL 107 2HG1 VAL 107 8.356 2.069 10.806 827 HG13 VAL 107 3HG1 VAL 107 7.252 3.042 9.835 828 HG21 VAL 107 3HG2 VAL 107 10.959 3.566 10.092 829 HG22 VAL 107 1HG2 VAL 107 10.818 4.741 11.401 830 HG23 VAL 107 2HG2 VAL 107 10.430 3.045 11.692 831 H TRP 108 HN TRP 108 11.196 5.486 8.649 832 HA TRP 108 HA TRP 108 10.551 4.227 6.077 833 HB2 TRP 108 2HB TRP 108 12.888 5.976 6.877 834 HB3 TRP 108 3HB TRP 108 12.714 5.204 5.306 835 HD1 TRP 108 1HD TRP 108 10.687 6.119 3.723 836 HE1 TRP 108 1HE TRP 108 9.620 8.456 3.595 837 HE3 TRP 108 3HE TRP 108 12.242 7.968 8.225 838 HZ2 TRP 108 2HZ TRP 108 9.457 10.779 5.193 839 HZ3 TRP 108 3HZ TRP 108 11.587 10.255 8.853 840 HH2 TRP 108 2HH TRP 108 10.223 11.630 7.366 841 H CYS 109 HN CYS 109 11.065 2.159 5.940 842 HA CYS 109 HA CYS 109 13.651 1.325 7.050 843 HB2 CYS 109 2HB CYS 109 12.636 -0.839 7.782 844 HB3 CYS 109 3HB CYS 109 12.094 0.560 8.702 845 HG CYS 109 HG CYS 109 10.020 -1.373 8.216 846 H SER 110 HN SER 110 14.514 -0.620 6.065 847 HA SER 110 HA SER 110 14.224 -0.476 3.228 848 HB2 SER 110 2HB SER 110 15.792 -2.492 4.858 849 HB3 SER 110 3HB SER 110 16.062 -2.044 3.173 850 HG SER 110 HG SER 110 17.259 -0.463 3.862 851 HA PRO 111 HA PRO 111 11.302 -3.647 2.250 852 HB2 PRO 111 2HB PRO 111 12.753 -5.326 0.576 853 HB3 PRO 111 3HB PRO 111 11.919 -3.852 0.076 854 HG2 PRO 111 2HG PRO 111 14.804 -4.274 0.730 855 HG3 PRO 111 3HG PRO 111 14.075 -3.284 -0.548 856 HD2 PRO 111 2HD PRO 111 15.048 -2.167 1.676 857 HD3 PRO 111 3HD PRO 111 13.563 -1.551 0.918 858 H GLU 112 HN GLU 112 14.284 -4.546 3.609 859 HA GLU 112 HA GLU 112 13.354 -7.264 4.220 860 HB2 GLU 112 2HB GLU 112 15.556 -7.659 5.250 861 HB3 GLU 112 3HB GLU 112 15.679 -7.165 3.570 862 HG2 GLU 112 2HG GLU 112 16.389 -4.976 4.196 863 HG3 GLU 112 3HG GLU 112 16.067 -5.307 5.900 864 H GLU 113 HN GLU 113 14.089 -4.214 5.743 865 HA GLU 113 HA GLU 113 13.671 -5.030 8.424 866 HB2 GLU 113 2HB GLU 113 13.485 -2.284 7.171 867 HB3 GLU 113 3HB GLU 113 13.591 -2.614 8.895 868 HG2 GLU 113 2HG GLU 113 15.707 -3.470 6.946 869 HG3 GLU 113 3HG GLU 113 15.717 -1.898 7.746 870 H ALA 114 HN ALA 114 11.606 -3.683 5.913 871 HA ALA 114 HA ALA 114 9.432 -2.859 7.442 872 HB1 ALA 114 1HB ALA 114 9.397 -3.974 4.640 873 HB2 ALA 114 2HB ALA 114 8.130 -2.999 5.387 874 HB3 ALA 114 3HB ALA 114 9.719 -2.298 5.084 875 H LEU 115 HN LEU 115 10.204 -6.063 6.200 876 HA LEU 115 HA LEU 115 7.643 -7.136 6.892 877 HB2 LEU 115 2HB LEU 115 9.765 -7.891 5.254 878 HB3 LEU 115 3HB LEU 115 9.736 -9.104 6.517 879 HG LEU 115 HG LEU 115 8.398 -9.514 4.340 880 HD11 LEU 115 1HD1 LEU 115 7.080 -9.882 7.026 881 HD12 LEU 115 2HD1 LEU 115 6.695 -10.767 5.548 882 HD13 LEU 115 3HD1 LEU 115 8.278 -10.957 6.303 883 HD21 LEU 115 3HD2 LEU 115 7.261 -7.276 4.443 884 HD22 LEU 115 1HD2 LEU 115 6.177 -8.651 4.246 885 HD23 LEU 115 2HD2 LEU 115 6.344 -7.876 5.822 886 H GLN 116 HN GLN 116 10.504 -6.484 8.664 887 HA GLN 116 HA GLN 116 9.967 -8.426 10.722 888 HB2 GLN 116 2HB GLN 116 11.854 -6.085 10.539 889 HB3 GLN 116 3HB GLN 116 11.714 -7.094 11.970 890 HG2 GLN 116 2HG GLN 116 12.433 -8.129 9.241 891 HG3 GLN 116 3HG GLN 116 13.601 -7.667 10.470 892 HE21 GLN 116 1HE2 GLN 116 14.481 -9.679 10.689 893 HE22 GLN 116 2HE2 GLN 116 13.634 -11.012 11.401 894 H TYR 117 HN TYR 117 8.675 -5.481 9.798 895 HA TYR 117 HA TYR 117 7.961 -4.596 12.476 896 HB2 TYR 117 2HB TYR 117 7.535 -3.479 9.712 897 HB3 TYR 117 3HB TYR 117 6.599 -2.871 11.072 898 HD1 TYR 117 1HD TYR 117 10.123 -3.459 10.012 899 HD2 TYR 117 2HD TYR 117 7.449 -1.128 12.349 900 HE1 TYR 117 1HE TYR 117 11.962 -1.931 10.577 901 HE2 TYR 117 2HE TYR 117 9.280 0.410 12.923 902 HH TYR 117 HH TYR 117 12.287 0.367 11.316 903 HA PRO 118 HA PRO 118 4.034 -6.641 12.484 904 HB2 PRO 118 2HB PRO 118 2.479 -4.880 13.845 905 HB3 PRO 118 3HB PRO 118 3.723 -5.861 14.629 906 HG2 PRO 118 2HG PRO 118 3.846 -3.008 13.739 907 HG3 PRO 118 3HG PRO 118 4.429 -3.731 15.248 908 HD2 PRO 118 2HD PRO 118 6.075 -3.158 13.172 909 HD3 PRO 118 3HD PRO 118 6.362 -4.528 14.263 910 H LEU 119 HN LEU 119 3.964 -6.304 10.125 911 HA LEU 119 HA LEU 119 2.290 -4.159 9.142 912 HB2 LEU 119 2HB LEU 119 3.576 -6.537 7.803 913 HB3 LEU 119 3HB LEU 119 2.556 -5.397 6.949 914 HG LEU 119 HG LEU 119 5.203 -4.775 8.277 915 HD11 LEU 119 1HD1 LEU 119 5.410 -6.045 6.211 916 HD12 LEU 119 2HD1 LEU 119 4.382 -4.879 5.378 917 HD13 LEU 119 3HD1 LEU 119 5.962 -4.384 5.990 918 HD21 LEU 119 3HD2 LEU 119 3.324 -2.985 6.735 919 HD22 LEU 119 1HD2 LEU 119 3.663 -2.892 8.462 920 HD23 LEU 119 2HD2 LEU 119 4.938 -2.547 7.294 921 H ALA 120 HN ALA 120 0.270 -4.483 8.100 922 HA ALA 120 HA ALA 120 -1.467 -6.306 9.384 923 HB1 ALA 120 1HB ALA 120 -1.886 -4.683 6.876 924 HB2 ALA 120 2HB ALA 120 -3.155 -5.483 7.803 925 HB3 ALA 120 3HB ALA 120 -2.236 -4.159 8.523 926 HA PRO 121 HA PRO 121 -1.208 -10.080 7.174 927 HB2 PRO 121 2HB PRO 121 -3.865 -10.562 6.544 928 HB3 PRO 121 3HB PRO 121 -3.095 -10.944 8.086 929 HG2 PRO 121 2HG PRO 121 -4.771 -8.589 7.333 930 HG3 PRO 121 3HG PRO 121 -4.746 -9.513 8.846 931 HD2 PRO 121 2HD PRO 121 -3.562 -7.124 8.666 932 HD3 PRO 121 3HD PRO 121 -2.832 -8.438 9.614 933 H ALA 122 HN ALA 122 -2.626 -7.363 5.590 934 HA ALA 122 HA ALA 122 -2.689 -8.743 3.011 935 HB1 ALA 122 1HB ALA 122 -3.813 -6.774 2.166 936 HB2 ALA 122 2HB ALA 122 -4.609 -7.340 3.635 937 HB3 ALA 122 3HB ALA 122 -3.543 -5.936 3.695 938 H ASP 123 HN ASP 123 -0.777 -6.582 4.857 939 HA ASP 123 HA ASP 123 0.545 -5.317 2.625 940 HB2 ASP 123 2HB ASP 123 1.116 -5.279 5.596 941 HB3 ASP 123 3HB ASP 123 1.959 -4.294 4.403 942 H ILE 124 HN ILE 124 0.982 -8.094 4.602 943 HA ILE 124 HA ILE 124 3.797 -8.312 4.462 944 HB ILE 124 HB ILE 124 1.736 -10.480 4.877 945 HG12 ILE 124 2HG1 ILE 124 3.375 -8.917 6.884 946 HG13 ILE 124 3HG1 ILE 124 1.670 -8.645 6.544 947 HG21 ILE 124 1HG2 ILE 124 3.567 -11.774 5.858 948 HG22 ILE 124 2HG2 ILE 124 3.881 -11.402 4.164 949 HG23 ILE 124 3HG2 ILE 124 4.701 -10.494 5.435 950 HD11 ILE 124 3HD1 ILE 124 1.172 -10.910 7.337 951 HD12 ILE 124 1HD1 ILE 124 2.881 -11.147 7.700 952 HD13 ILE 124 2HD1 ILE 124 1.955 -9.928 8.575 953 HA PRO 125 HA PRO 125 2.963 -11.553 0.840 954 HB2 PRO 125 2HB PRO 125 0.621 -10.919 -0.544 955 HB3 PRO 125 3HB PRO 125 0.830 -12.275 0.568 956 HG2 PRO 125 2HG PRO 125 -0.364 -9.587 1.059 957 HG3 PRO 125 3HG PRO 125 -0.871 -11.171 1.672 958 HD2 PRO 125 2HD PRO 125 0.448 -9.454 3.226 959 HD3 PRO 125 3HD PRO 125 0.773 -11.197 3.315 960 H LEU 126 HN LEU 126 1.786 -8.232 0.638 961 HA LEU 126 HA LEU 126 2.577 -7.834 -2.074 962 HB2 LEU 126 2HB LEU 126 2.001 -5.826 0.110 963 HB3 LEU 126 3HB LEU 126 2.169 -5.445 -1.593 964 HG LEU 126 HG LEU 126 0.017 -7.209 -0.423 965 HD11 LEU 126 1HD1 LEU 126 -0.090 -4.357 -1.391 966 HD12 LEU 126 2HD1 LEU 126 -1.486 -5.340 -0.951 967 HD13 LEU 126 3HD1 LEU 126 -0.289 -4.910 0.270 968 HD21 LEU 126 3HD2 LEU 126 -1.004 -7.020 -2.644 969 HD22 LEU 126 1HD2 LEU 126 0.411 -6.132 -3.211 970 HD23 LEU 126 2HD2 LEU 126 0.570 -7.816 -2.709 971 H LEU 127 HN LEU 127 4.051 -7.179 1.071 972 HA LEU 127 HA LEU 127 6.253 -5.731 -0.034 973 HB2 LEU 127 2HB LEU 127 5.327 -5.578 2.345 974 HB3 LEU 127 3HB LEU 127 6.180 -7.074 2.664 975 HG LEU 127 HG LEU 127 7.331 -4.926 3.379 976 HD11 LEU 127 1HD1 LEU 127 8.834 -6.730 1.495 977 HD12 LEU 127 2HD1 LEU 127 9.543 -5.687 2.728 978 HD13 LEU 127 3HD1 LEU 127 8.527 -7.049 3.202 979 HD21 LEU 127 3HD2 LEU 127 7.804 -4.699 0.415 980 HD22 LEU 127 1HD2 LEU 127 6.804 -3.619 1.387 981 HD23 LEU 127 2HD2 LEU 127 8.543 -3.698 1.664 982 H GLU 128 HN GLU 128 5.655 -9.070 0.942 983 HA GLU 128 HA GLU 128 8.183 -10.145 0.785 984 HB2 GLU 128 2HB GLU 128 5.667 -11.423 -0.299 985 HB3 GLU 128 3HB GLU 128 7.139 -12.264 0.160 986 HG2 GLU 128 2HG GLU 128 6.789 -11.497 2.485 987 HG3 GLU 128 3HG GLU 128 5.255 -10.794 1.979 988 H ALA 129 HN ALA 129 5.947 -9.437 -1.882 989 HA ALA 129 HA ALA 129 7.745 -10.539 -3.836 990 HB1 ALA 129 1HB ALA 129 5.298 -10.568 -4.140 991 HB2 ALA 129 2HB ALA 129 5.333 -8.809 -4.325 992 HB3 ALA 129 3HB ALA 129 6.179 -9.840 -5.485 993 H PHE 130 HN PHE 130 7.266 -7.398 -2.388 994 HA PHE 130 HA PHE 130 8.492 -5.928 -4.500 995 HB2 PHE 130 2HB PHE 130 7.002 -4.903 -2.779 996 HB3 PHE 130 3HB PHE 130 8.242 -5.211 -1.569 997 HD1 PHE 130 1HD PHE 130 7.669 -3.436 -4.785 998 HD2 PHE 130 2HD PHE 130 9.882 -3.626 -1.158 999 HE1 PHE 130 1HE PHE 130 8.705 -1.268 -5.310 1000 HE2 PHE 130 2HE PHE 130 10.916 -1.455 -1.674 1001 HZ PHE 130 HZ PHE 130 10.330 -0.274 -3.752 1002 H MET 131 HN MET 131 9.568 -7.227 -1.374 1003 HA MET 131 HA MET 131 12.302 -6.582 -1.790 1004 HB2 MET 131 2HB MET 131 12.783 -7.986 0.113 1005 HB3 MET 131 3HB MET 131 11.341 -7.042 0.454 1006 HG2 MET 131 2HG MET 131 9.959 -9.002 -0.078 1007 HG3 MET 131 3HG MET 131 11.425 -9.938 -0.355 1008 HE1 MET 131 3HE MET 131 13.052 -9.918 3.229 1009 HE2 MET 131 1HE MET 131 13.209 -10.497 1.571 1010 HE3 MET 131 2HE MET 131 13.337 -8.772 1.919 1011 H ALA 132 HN ALA 132 10.317 -9.446 -2.570 1012 HA ALA 132 HA ALA 132 12.282 -11.137 -3.511 1013 HB1 ALA 132 1HB ALA 132 9.478 -10.664 -4.560 1014 HB2 ALA 132 2HB ALA 132 10.505 -12.035 -5.002 1015 HB3 ALA 132 3HB ALA 132 9.976 -11.833 -3.333 1016 H LEU 133 HN LEU 133 10.653 -8.462 -5.154 1017 HA LEU 133 HA LEU 133 11.797 -8.924 -7.692 1018 HB2 LEU 133 2HB LEU 133 10.121 -6.912 -6.430 1019 HB3 LEU 133 3HB LEU 133 11.250 -6.206 -7.569 1020 HG LEU 133 HG LEU 133 10.395 -7.616 -9.354 1021 HD11 LEU 133 1HD1 LEU 133 8.531 -8.736 -7.264 1022 HD12 LEU 133 2HD1 LEU 133 8.437 -9.050 -8.999 1023 HD13 LEU 133 3HD1 LEU 133 9.839 -9.597 -8.079 1024 HD21 LEU 133 3HD2 LEU 133 8.191 -6.235 -7.829 1025 HD22 LEU 133 1HD2 LEU 133 9.318 -5.471 -8.952 1026 HD23 LEU 133 2HD2 LEU 133 8.158 -6.665 -9.539 1027 H ARG 134 HN ARG 134 12.851 -7.037 -4.903 1028 HA ARG 134 HA ARG 134 14.977 -5.792 -6.369 1029 HB2 ARG 134 2HB ARG 134 14.595 -5.977 -3.376 1030 HB3 ARG 134 3HB ARG 134 15.635 -4.846 -4.233 1031 HG2 ARG 134 2HG ARG 134 13.703 -3.785 -5.237 1032 HG3 ARG 134 3HG ARG 134 12.636 -4.957 -4.463 1033 HD2 ARG 134 2HD ARG 134 12.506 -3.065 -3.100 1034 HD3 ARG 134 3HD ARG 134 13.625 -4.136 -2.260 1035 HE ARG 134 HE ARG 134 15.419 -2.714 -2.907 1036 HH11 ARG 134 2HH1 ARG 134 12.286 -1.545 -3.873 1037 HH12 ARG 134 1HH1 ARG 134 12.770 0.123 -3.963 1038 HH21 ARG 134 2HH2 ARG 134 16.092 -0.514 -3.034 1039 HH22 ARG 134 1HH2 ARG 134 14.931 0.708 -3.500 1040 H ALA 135 HN ALA 135 14.545 -8.763 -4.675 1041 HA ALA 135 HA ALA 135 17.361 -9.151 -4.121 1042 HB1 ALA 135 1HB ALA 135 15.055 -11.071 -3.831 1043 HB2 ALA 135 2HB ALA 135 16.684 -11.290 -3.189 1044 HB3 ALA 135 3HB ALA 135 15.657 -9.995 -2.569 1045 H ALA 136 HN ALA 136 14.974 -10.262 -6.464 1046 HA ALA 136 HA ALA 136 17.032 -11.953 -7.723 1047 HB1 ALA 136 1HB ALA 136 14.974 -13.112 -7.098 1048 HB2 ALA 136 2HB ALA 136 14.039 -11.999 -8.094 1049 HB3 ALA 136 3HB ALA 136 15.191 -13.100 -8.848 1050 H ARG 137 HN ARG 137 15.548 -8.999 -8.012 1051 HA ARG 137 HA ARG 137 14.948 -7.581 -9.683 1052 HB2 ARG 137 2HB ARG 137 16.882 -6.844 -11.018 1053 HB3 ARG 137 3HB ARG 137 17.229 -6.988 -9.306 1054 HG2 ARG 137 2HG ARG 137 18.459 -9.016 -9.671 1055 HG3 ARG 137 3HG ARG 137 17.986 -9.042 -11.373 1056 HD2 ARG 137 2HD ARG 137 19.698 -6.965 -10.009 1057 HD3 ARG 137 3HD ARG 137 20.245 -8.189 -11.157 1058 HE ARG 137 HE ARG 137 18.409 -6.898 -12.605 1059 HH11 ARG 137 2HH1 ARG 137 21.034 -5.688 -10.624 1060 HH12 ARG 137 1HH1 ARG 137 21.241 -4.236 -11.565 1061 HH21 ARG 137 2HH2 ARG 137 18.661 -4.995 -13.829 1062 HH22 ARG 137 1HH2 ARG 137 19.902 -3.851 -13.402 1063 HA PRO 138 HA PRO 138 13.762 -10.471 -12.980 1064 HB2 PRO 138 2HB PRO 138 11.129 -10.055 -12.879 1065 HB3 PRO 138 3HB PRO 138 11.944 -11.072 -11.686 1066 HG2 PRO 138 2HG PRO 138 10.988 -8.256 -11.443 1067 HG3 PRO 138 3HG PRO 138 10.937 -9.567 -10.251 1068 HD2 PRO 138 2HD PRO 138 12.841 -7.544 -10.327 1069 HD3 PRO 138 3HD PRO 138 13.031 -9.098 -9.492 1070 H ALA 139 HN ALA 139 13.092 -10.091 -15.094 1071 HA ALA 139 HA ALA 139 12.722 -7.260 -15.837 1072 HB1 ALA 139 1HB ALA 139 13.523 -7.928 -18.079 1073 HB2 ALA 139 2HB ALA 139 14.721 -8.239 -16.820 1074 HB3 ALA 139 3HB ALA 139 13.770 -9.568 -17.481 1075 H ASP 140 HN ASP 140 10.991 -9.786 -15.101 1076 HA ASP 140 HA ASP 140 8.942 -9.290 -17.134 1077 HB2 ASP 140 2HB ASP 140 9.816 -11.405 -17.769 1078 HB3 ASP 140 3HB ASP 140 9.916 -11.951 -16.100 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -25.222 -16.048 5.479 2 H2 GLY 1 2H GLY 1 -26.821 -16.614 5.472 3 H3 GLY 1 3H GLY 1 -26.066 -16.230 6.941 4 HA2 GLY 1 3HA GLY 1 -27.573 -14.474 6.371 5 HA3 GLY 1 2HA GLY 1 -25.915 -13.898 6.242 6 HA PRO 2 HA PRO 2 -27.187 -12.763 2.133 7 HB2 PRO 2 2HB PRO 2 -24.676 -11.628 1.538 8 HB3 PRO 2 3HB PRO 2 -26.087 -10.791 2.182 9 HG2 PRO 2 2HG PRO 2 -23.652 -11.235 3.513 10 HG3 PRO 2 3HG PRO 2 -25.160 -10.652 4.235 11 HD2 PRO 2 2HD PRO 2 -23.972 -13.376 4.265 12 HD3 PRO 2 3HD PRO 2 -25.016 -12.578 5.462 13 H LEU 3 HN LEU 3 -27.259 -14.938 1.315 14 HA LEU 3 HA LEU 3 -24.773 -15.929 0.151 15 HB2 LEU 3 2HB LEU 3 -27.477 -17.238 0.425 16 HB3 LEU 3 3HB LEU 3 -26.094 -17.983 -0.351 17 HG LEU 3 HG LEU 3 -26.295 -17.206 2.560 18 HD11 LEU 3 1HD1 LEU 3 -27.592 -19.193 1.947 19 HD12 LEU 3 2HD1 LEU 3 -26.145 -19.912 1.241 20 HD13 LEU 3 3HD1 LEU 3 -26.216 -19.594 2.975 21 HD21 LEU 3 3HD2 LEU 3 -24.031 -18.492 1.037 22 HD22 LEU 3 1HD2 LEU 3 -24.029 -16.881 1.753 23 HD23 LEU 3 2HD2 LEU 3 -24.110 -18.305 2.788 24 H GLY 4 HN GLY 4 -24.689 -14.244 -1.410 25 HA2 GLY 4 2HA GLY 4 -26.432 -14.811 -3.731 26 HA3 GLY 4 3HA GLY 4 -25.815 -13.203 -3.365 27 H SER 5 HN SER 5 -23.557 -12.808 -3.566 28 HA SER 5 HA SER 5 -21.829 -14.855 -4.607 29 HB2 SER 5 2HB SER 5 -23.097 -13.973 -6.628 30 HB3 SER 5 3HB SER 5 -22.314 -12.421 -6.341 31 HG SER 5 HG SER 5 -21.368 -14.484 -7.676 32 H MET 6 HN MET 6 -19.618 -14.154 -4.634 33 HA MET 6 HA MET 6 -19.080 -12.332 -2.487 34 HB2 MET 6 2HB MET 6 -17.172 -13.790 -4.325 35 HB3 MET 6 3HB MET 6 -16.729 -12.948 -2.849 36 HG2 MET 6 2HG MET 6 -18.024 -14.511 -1.532 37 HG3 MET 6 3HG MET 6 -18.554 -15.333 -2.999 38 HE1 MET 6 3HE MET 6 -16.855 -16.597 -4.659 39 HE2 MET 6 1HE MET 6 -15.796 -15.187 -4.708 40 HE3 MET 6 2HE MET 6 -15.131 -16.777 -4.331 41 H LYS 7 HN LYS 7 -18.909 -10.199 -2.723 42 HA LYS 7 HA LYS 7 -18.322 -9.076 -5.339 43 HB2 LYS 7 2HB LYS 7 -19.166 -7.823 -2.722 44 HB3 LYS 7 3HB LYS 7 -18.761 -6.883 -4.154 45 HG2 LYS 7 2HG LYS 7 -20.555 -8.063 -5.385 46 HG3 LYS 7 3HG LYS 7 -20.994 -8.889 -3.888 47 HD2 LYS 7 2HD LYS 7 -21.570 -6.802 -2.844 48 HD3 LYS 7 3HD LYS 7 -20.962 -5.891 -4.229 49 HE2 LYS 7 2HE LYS 7 -22.685 -6.932 -5.645 50 HE3 LYS 7 3HE LYS 7 -23.304 -7.794 -4.237 51 HZ1 LYS 7 3HZ LYS 7 -24.424 -5.616 -4.950 52 HZ2 LYS 7 1HZ LYS 7 -23.101 -4.850 -4.228 53 HZ3 LYS 7 2HZ LYS 7 -24.111 -5.852 -3.301 54 H MET 8 HN MET 8 -16.695 -7.345 -5.529 55 HA MET 8 HA MET 8 -14.377 -8.019 -3.858 56 HB2 MET 8 2HB MET 8 -14.510 -7.246 -6.769 57 HB3 MET 8 3HB MET 8 -13.012 -7.299 -5.850 58 HG2 MET 8 2HG MET 8 -13.305 -9.660 -5.432 59 HG3 MET 8 3HG MET 8 -14.861 -9.641 -6.256 60 HE1 MET 8 3HE MET 8 -12.577 -11.699 -8.686 61 HE2 MET 8 1HE MET 8 -12.563 -11.706 -6.923 62 HE3 MET 8 2HE MET 8 -14.097 -11.677 -7.792 63 H ILE 9 HN ILE 9 -13.126 -6.474 -3.066 64 HA ILE 9 HA ILE 9 -14.040 -3.678 -3.321 65 HB ILE 9 HB ILE 9 -12.629 -5.066 -1.036 66 HG12 ILE 9 2HG1 ILE 9 -15.442 -4.010 -1.312 67 HG13 ILE 9 3HG1 ILE 9 -14.953 -5.686 -1.099 68 HG21 ILE 9 1HG2 ILE 9 -12.564 -3.080 0.178 69 HG22 ILE 9 2HG2 ILE 9 -12.002 -2.637 -1.437 70 HG23 ILE 9 3HG2 ILE 9 -13.656 -2.250 -0.947 71 HD11 ILE 9 3HD1 ILE 9 -14.062 -5.088 1.135 72 HD12 ILE 9 1HD1 ILE 9 -14.718 -3.464 0.910 73 HD13 ILE 9 2HD1 ILE 9 -15.806 -4.851 0.973 74 H GLU 10 HN GLU 10 -12.561 -2.303 -4.222 75 HA GLU 10 HA GLU 10 -9.933 -3.453 -4.820 76 HB2 GLU 10 2HB GLU 10 -11.477 -1.182 -6.094 77 HB3 GLU 10 3HB GLU 10 -9.813 -1.569 -6.505 78 HG2 GLU 10 2HG GLU 10 -12.002 -3.608 -6.709 79 HG3 GLU 10 3HG GLU 10 -11.652 -2.478 -8.018 80 H VAL 11 HN VAL 11 -8.181 -2.720 -3.802 81 HA VAL 11 HA VAL 11 -8.274 -0.040 -2.602 82 HB VAL 11 HB VAL 11 -7.220 -2.542 -1.255 83 HG11 VAL 11 1HG1 VAL 11 -5.797 -0.636 -0.755 84 HG12 VAL 11 2HG1 VAL 11 -7.207 0.321 -0.303 85 HG13 VAL 11 3HG1 VAL 11 -6.747 -1.081 0.664 86 HG21 VAL 11 3HG2 VAL 11 -8.944 -2.129 0.423 87 HG22 VAL 11 1HG2 VAL 11 -9.523 -0.743 -0.502 88 HG23 VAL 11 2HG2 VAL 11 -9.657 -2.369 -1.172 89 H VAL 12 HN VAL 12 -6.435 1.113 -2.862 90 HA VAL 12 HA VAL 12 -4.196 -0.272 -4.176 91 HB VAL 12 HB VAL 12 -3.529 2.115 -4.880 92 HG11 VAL 12 1HG1 VAL 12 -4.312 0.435 -6.448 93 HG12 VAL 12 2HG1 VAL 12 -5.985 0.813 -6.046 94 HG13 VAL 12 3HG1 VAL 12 -4.983 2.013 -6.858 95 HG21 VAL 12 3HG2 VAL 12 -5.055 3.325 -3.421 96 HG22 VAL 12 1HG2 VAL 12 -5.399 3.688 -5.112 97 HG23 VAL 12 2HG2 VAL 12 -6.439 2.576 -4.220 98 H ALA 13 HN ALA 13 -2.180 -0.093 -3.385 99 HA ALA 13 HA ALA 13 -1.857 1.380 -0.856 100 HB1 ALA 13 1HB ALA 13 -1.877 -1.067 -0.519 101 HB2 ALA 13 2HB ALA 13 -0.533 -1.222 -1.653 102 HB3 ALA 13 3HB ALA 13 -0.311 -0.356 -0.130 103 H ALA 14 HN ALA 14 -0.207 2.788 -0.780 104 HA ALA 14 HA ALA 14 1.489 2.960 -3.173 105 HB1 ALA 14 1HB ALA 14 1.922 5.284 -2.424 106 HB2 ALA 14 2HB ALA 14 0.220 4.967 -2.750 107 HB3 ALA 14 3HB ALA 14 0.802 5.028 -1.087 108 H ILE 15 HN ILE 15 3.439 2.126 -2.964 109 HA ILE 15 HA ILE 15 4.628 1.886 -0.317 110 HB ILE 15 HB ILE 15 5.402 0.764 -3.014 111 HG12 ILE 15 2HG1 ILE 15 4.214 -0.356 -0.485 112 HG13 ILE 15 3HG1 ILE 15 3.592 -0.462 -2.128 113 HG21 ILE 15 1HG2 ILE 15 7.424 1.342 -1.726 114 HG22 ILE 15 2HG2 ILE 15 6.832 0.352 -0.395 115 HG23 ILE 15 3HG2 ILE 15 7.235 -0.399 -1.937 116 HD11 ILE 15 3HD1 ILE 15 5.391 -1.994 -2.711 117 HD12 ILE 15 1HD1 ILE 15 6.029 -1.861 -1.059 118 HD13 ILE 15 2HD1 ILE 15 4.443 -2.595 -1.346 119 H ILE 16 HN ILE 16 5.418 3.853 0.278 120 HA ILE 16 HA ILE 16 6.700 5.594 -1.619 121 HB ILE 16 HB ILE 16 6.812 5.910 1.368 122 HG12 ILE 16 2HG1 ILE 16 4.433 5.339 0.502 123 HG13 ILE 16 3HG1 ILE 16 4.640 6.732 1.554 124 HG21 ILE 16 1HG2 ILE 16 6.669 8.310 0.794 125 HG22 ILE 16 2HG2 ILE 16 8.067 7.503 0.080 126 HG23 ILE 16 3HG2 ILE 16 6.657 7.868 -0.914 127 HD11 ILE 16 3HD1 ILE 16 4.373 6.807 -1.441 128 HD12 ILE 16 1HD1 ILE 16 3.125 7.218 -0.261 129 HD13 ILE 16 2HD1 ILE 16 4.582 8.200 -0.379 130 H GLU 17 HN GLU 17 8.671 4.834 -2.298 131 HA GLU 17 HA GLU 17 10.454 3.789 -0.209 132 HB2 GLU 17 2HB GLU 17 9.896 2.150 -1.961 133 HB3 GLU 17 3HB GLU 17 10.540 3.245 -3.179 134 HG2 GLU 17 2HG GLU 17 12.740 3.127 -1.995 135 HG3 GLU 17 3HG GLU 17 12.051 1.861 -0.980 136 H ARG 18 HN ARG 18 11.998 5.100 0.361 137 HA ARG 18 HA ARG 18 13.324 6.701 -1.708 138 HB2 ARG 18 2HB ARG 18 11.572 7.926 -0.088 139 HB3 ARG 18 3HB ARG 18 12.980 7.963 0.965 140 HG2 ARG 18 2HG ARG 18 12.814 10.014 -0.314 141 HG3 ARG 18 3HG ARG 18 14.254 9.109 -0.786 142 HD2 ARG 18 2HD ARG 18 13.165 8.298 -2.770 143 HD3 ARG 18 3HD ARG 18 11.631 9.003 -2.268 144 HE ARG 18 HE ARG 18 13.789 10.909 -2.582 145 HH11 ARG 18 2HH1 ARG 18 11.177 9.209 -4.181 146 HH12 ARG 18 1HH1 ARG 18 10.970 10.414 -5.410 147 HH21 ARG 18 2HH2 ARG 18 13.491 12.523 -4.199 148 HH22 ARG 18 1HH2 ARG 18 12.262 12.301 -5.418 149 H ASP 19 HN ASP 19 15.406 6.368 -1.673 150 HA ASP 19 HA ASP 19 17.542 5.999 -0.991 151 HB2 ASP 19 2HB ASP 19 16.445 6.241 1.818 152 HB3 ASP 19 3HB ASP 19 18.151 6.108 1.408 153 H GLY 20 HN GLY 20 15.162 3.862 -0.861 154 HA2 GLY 20 2HA GLY 20 15.545 1.535 -0.987 155 HA3 GLY 20 3HA GLY 20 16.945 1.736 0.062 156 H LYS 21 HN LYS 21 14.327 3.567 1.117 157 HA LYS 21 HA LYS 21 13.517 1.448 2.990 158 HB2 LYS 21 2HB LYS 21 13.678 4.398 3.615 159 HB3 LYS 21 3HB LYS 21 13.252 3.113 4.729 160 HG2 LYS 21 2HG LYS 21 15.688 2.288 3.863 161 HG3 LYS 21 3HG LYS 21 15.870 4.038 3.830 162 HD2 LYS 21 2HD LYS 21 15.822 4.220 6.067 163 HD3 LYS 21 3HD LYS 21 14.529 3.033 6.231 164 HE2 LYS 21 2HE LYS 21 16.099 1.222 6.025 165 HE3 LYS 21 3HE LYS 21 17.410 2.343 5.683 166 HZ1 LYS 21 3HZ LYS 21 17.124 3.265 7.920 167 HZ2 LYS 21 1HZ LYS 21 17.486 1.606 7.975 168 HZ3 LYS 21 2HZ LYS 21 15.899 2.144 8.238 169 H ILE 22 HN ILE 22 11.369 1.343 3.564 170 HA ILE 22 HA ILE 22 9.555 2.698 1.689 171 HB ILE 22 HB ILE 22 9.006 0.215 3.322 172 HG12 ILE 22 2HG1 ILE 22 9.949 0.417 0.452 173 HG13 ILE 22 3HG1 ILE 22 10.916 -0.148 1.809 174 HG21 ILE 22 1HG2 ILE 22 7.291 -0.126 1.467 175 HG22 ILE 22 2HG2 ILE 22 6.966 1.171 2.627 176 HG23 ILE 22 3HG2 ILE 22 7.603 1.560 1.032 177 HD11 ILE 22 3HD1 ILE 22 10.099 -2.013 0.526 178 HD12 ILE 22 1HD1 ILE 22 9.351 -2.007 2.125 179 HD13 ILE 22 2HD1 ILE 22 8.435 -1.453 0.720 180 H LEU 23 HN LEU 23 7.587 3.560 2.454 181 HA LEU 23 HA LEU 23 7.741 4.592 5.163 182 HB2 LEU 23 2HB LEU 23 7.278 6.059 3.212 183 HB3 LEU 23 3HB LEU 23 5.770 5.203 2.965 184 HG LEU 23 HG LEU 23 5.041 5.965 5.241 185 HD11 LEU 23 1HD1 LEU 23 6.249 7.810 6.273 186 HD12 LEU 23 2HD1 LEU 23 7.251 6.362 6.185 187 HD13 LEU 23 3HD1 LEU 23 7.509 7.683 5.045 188 HD21 LEU 23 3HD2 LEU 23 4.471 8.199 4.512 189 HD22 LEU 23 1HD2 LEU 23 5.749 8.165 3.299 190 HD23 LEU 23 2HD2 LEU 23 4.359 7.089 3.144 191 H LEU 24 HN LEU 24 6.721 3.728 6.769 192 HA LEU 24 HA LEU 24 4.266 2.163 6.273 193 HB2 LEU 24 2HB LEU 24 6.313 1.777 8.457 194 HB3 LEU 24 3HB LEU 24 4.765 0.970 8.415 195 HG LEU 24 HG LEU 24 5.483 -0.043 6.203 196 HD11 LEU 24 1HD1 LEU 24 7.290 1.484 5.666 197 HD12 LEU 24 2HD1 LEU 24 8.173 0.959 7.099 198 HD13 LEU 24 3HD1 LEU 24 7.879 -0.174 5.779 199 HD21 LEU 24 3HD2 LEU 24 7.065 -0.717 8.674 200 HD22 LEU 24 1HD2 LEU 24 5.443 -1.293 8.292 201 HD23 LEU 24 2HD2 LEU 24 6.809 -1.777 7.287 202 H ALA 25 HN ALA 25 2.482 2.636 7.441 203 HA ALA 25 HA ALA 25 2.737 4.849 9.375 204 HB1 ALA 25 1HB ALA 25 1.668 5.498 7.231 205 HB2 ALA 25 2HB ALA 25 0.367 4.362 7.584 206 HB3 ALA 25 3HB ALA 25 0.643 5.746 8.646 207 H GLN 26 HN GLN 26 2.187 4.385 11.353 208 HA GLN 26 HA GLN 26 0.936 1.881 12.020 209 HB2 GLN 26 2HB GLN 26 2.772 2.757 13.370 210 HB3 GLN 26 3HB GLN 26 1.830 4.187 13.760 211 HG2 GLN 26 2HG GLN 26 0.229 2.810 14.976 212 HG3 GLN 26 3HG GLN 26 1.156 1.366 14.564 213 HE21 GLN 26 1HE2 GLN 26 0.492 2.539 17.180 214 HE22 GLN 26 2HE2 GLN 26 2.013 2.802 17.969 215 H ARG 27 HN ARG 27 -1.136 1.829 11.457 216 HA ARG 27 HA ARG 27 -3.202 2.511 13.040 217 HB2 ARG 27 2HB ARG 27 -2.664 4.907 12.714 218 HB3 ARG 27 3HB ARG 27 -2.840 4.714 10.980 219 HG2 ARG 27 2HG ARG 27 -5.159 4.045 12.721 220 HG3 ARG 27 3HG ARG 27 -4.751 5.741 12.460 221 HD2 ARG 27 2HD ARG 27 -4.701 5.081 9.951 222 HD3 ARG 27 3HD ARG 27 -5.626 3.675 10.475 223 HE ARG 27 HE ARG 27 -6.645 6.274 11.293 224 HH11 ARG 27 2HH1 ARG 27 -6.855 3.560 9.089 225 HH12 ARG 27 1HH1 ARG 27 -8.386 4.053 8.436 226 HH21 ARG 27 2HH2 ARG 27 -8.679 6.919 10.425 227 HH22 ARG 27 1HH2 ARG 27 -9.427 5.921 9.203 228 HA PRO 28 HA PRO 28 -4.415 0.096 9.414 229 HB2 PRO 28 2HB PRO 28 -5.850 -1.753 10.656 230 HB3 PRO 28 3HB PRO 28 -4.098 -1.707 10.892 231 HG2 PRO 28 2HG PRO 28 -6.271 -0.641 12.658 232 HG3 PRO 28 3HG PRO 28 -4.851 -1.607 13.094 233 HD2 PRO 28 2HD PRO 28 -4.985 1.141 13.304 234 HD3 PRO 28 3HD PRO 28 -3.470 0.229 13.137 235 H ALA 29 HN ALA 29 -7.065 -1.077 9.648 236 HA ALA 29 HA ALA 29 -8.739 1.327 9.799 237 HB1 ALA 29 1HB ALA 29 -8.731 -0.611 7.492 238 HB2 ALA 29 2HB ALA 29 -9.823 0.759 7.691 239 HB3 ALA 29 3HB ALA 29 -8.096 1.035 7.471 240 H GLN 30 HN GLN 30 -9.286 -2.020 8.767 241 HA GLN 30 HA GLN 30 -11.653 -2.056 10.498 242 HB2 GLN 30 2HB GLN 30 -10.916 -3.792 8.129 243 HB3 GLN 30 3HB GLN 30 -12.403 -3.931 9.058 244 HG2 GLN 30 2HG GLN 30 -13.103 -1.739 8.366 245 HG3 GLN 30 3HG GLN 30 -11.565 -1.465 7.551 246 HE21 GLN 30 1HE2 GLN 30 -14.611 -3.133 7.446 247 HE22 GLN 30 2HE2 GLN 30 -14.523 -3.600 5.781 248 H SER 31 HN SER 31 -8.713 -2.687 11.121 249 HA SER 31 HA SER 31 -8.836 -5.495 11.829 250 HB2 SER 31 2HB SER 31 -6.605 -3.540 12.396 251 HB3 SER 31 3HB SER 31 -6.503 -5.299 12.299 252 HG SER 31 HG SER 31 -6.803 -5.203 10.105 253 H ASP 32 HN ASP 32 -9.461 -2.459 13.238 254 HA ASP 32 HA ASP 32 -10.198 -1.803 15.274 255 HB2 ASP 32 2HB ASP 32 -11.576 -3.723 15.494 256 HB3 ASP 32 3HB ASP 32 -10.195 -4.769 15.806 257 H GLN 33 HN GLN 33 -7.869 -4.425 15.861 258 HA GLN 33 HA GLN 33 -6.605 -3.253 18.065 259 HB2 GLN 33 2HB GLN 33 -4.688 -4.806 17.403 260 HB3 GLN 33 3HB GLN 33 -6.246 -5.551 17.735 261 HG2 GLN 33 2HG GLN 33 -6.686 -5.621 15.304 262 HG3 GLN 33 3HG GLN 33 -5.067 -4.984 15.020 263 HE21 GLN 33 1HE2 GLN 33 -6.936 -7.698 16.111 264 HE22 GLN 33 2HE2 GLN 33 -5.668 -8.875 16.031 265 H ALA 34 HN ALA 34 -4.661 -2.123 18.286 266 HA ALA 34 HA ALA 34 -3.919 -0.575 15.888 267 HB1 ALA 34 1HB ALA 34 -5.005 0.743 17.664 268 HB2 ALA 34 2HB ALA 34 -3.734 0.256 18.782 269 HB3 ALA 34 3HB ALA 34 -3.340 1.253 17.382 270 H GLY 35 HN GLY 35 -1.617 0.533 16.475 271 HA2 GLY 35 2HA GLY 35 0.610 0.185 17.089 272 HA3 GLY 35 3HA GLY 35 0.199 -1.432 17.623 273 H LEU 36 HN LEU 36 -1.236 -1.724 14.978 274 HA LEU 36 HA LEU 36 0.943 -2.913 13.568 275 HB2 LEU 36 2HB LEU 36 -2.016 -2.718 13.131 276 HB3 LEU 36 3HB LEU 36 -0.971 -3.351 11.877 277 HG LEU 36 HG LEU 36 -0.333 -5.218 13.240 278 HD11 LEU 36 1HD1 LEU 36 -1.939 -3.981 15.473 279 HD12 LEU 36 2HD1 LEU 36 -1.152 -5.559 15.507 280 HD13 LEU 36 3HD1 LEU 36 -0.180 -4.089 15.412 281 HD21 LEU 36 3HD2 LEU 36 -2.469 -5.368 12.075 282 HD22 LEU 36 1HD2 LEU 36 -2.487 -6.289 13.579 283 HD23 LEU 36 2HD2 LEU 36 -3.285 -4.717 13.497 284 H TRP 37 HN TRP 37 1.568 -2.477 11.429 285 HA TRP 37 HA TRP 37 1.165 0.329 10.617 286 HB2 TRP 37 2HB TRP 37 3.475 -1.505 9.914 287 HB3 TRP 37 3HB TRP 37 3.345 0.207 9.537 288 HD1 TRP 37 1HD TRP 37 3.717 -2.100 12.621 289 HE1 TRP 37 1HE TRP 37 4.972 -0.802 14.452 290 HE3 TRP 37 3HE TRP 37 4.057 2.446 10.305 291 HZ2 TRP 37 2HZ TRP 37 5.980 1.797 14.858 292 HZ3 TRP 37 3HZ TRP 37 5.185 4.284 11.485 293 HH2 TRP 37 2HH TRP 37 6.127 3.965 13.713 294 H GLU 38 HN GLU 38 0.703 0.747 8.431 295 HA GLU 38 HA GLU 38 0.350 -1.586 6.684 296 HB2 GLU 38 2HB GLU 38 -1.788 -0.606 5.847 297 HB3 GLU 38 3HB GLU 38 -1.868 -1.147 7.518 298 HG2 GLU 38 2HG GLU 38 -1.715 1.100 8.322 299 HG3 GLU 38 3HG GLU 38 -1.407 1.709 6.697 300 H PHE 39 HN PHE 39 0.166 -0.994 4.387 301 HA PHE 39 HA PHE 39 1.936 1.194 3.706 302 HB2 PHE 39 2HB PHE 39 0.432 -0.803 1.998 303 HB3 PHE 39 3HB PHE 39 1.488 0.444 1.343 304 HD1 PHE 39 1HD PHE 39 3.880 0.361 1.732 305 HD2 PHE 39 2HD PHE 39 1.289 -2.748 3.003 306 HE1 PHE 39 1HE PHE 39 5.802 -1.128 1.980 307 HE2 PHE 39 2HE PHE 39 3.204 -4.245 3.261 308 HZ PHE 39 HZ PHE 39 5.479 -3.446 2.753 309 H ALA 40 HN ALA 40 1.277 3.200 3.437 310 HA ALA 40 HA ALA 40 -1.350 4.051 3.736 311 HB1 ALA 40 1HB ALA 40 -0.565 6.244 3.060 312 HB2 ALA 40 2HB ALA 40 0.603 5.473 4.134 313 HB3 ALA 40 3HB ALA 40 0.907 5.533 2.397 314 H GLY 41 HN GLY 41 -2.914 4.810 2.306 315 HA2 GLY 41 2HA GLY 41 -2.831 4.996 -0.423 316 HA3 GLY 41 3HA GLY 41 -3.084 3.285 -0.095 317 H GLY 42 HN GLY 42 -5.173 2.997 -0.660 318 HA2 GLY 42 2HA GLY 42 -7.227 3.708 1.069 319 HA3 GLY 42 3HA GLY 42 -7.199 4.939 -0.180 320 H LYS 43 HN LYS 43 -9.410 3.496 0.154 321 HA LYS 43 HA LYS 43 -9.525 1.281 -1.663 322 HB2 LYS 43 2HB LYS 43 -11.062 1.179 0.110 323 HB3 LYS 43 3HB LYS 43 -11.556 2.850 -0.098 324 HG2 LYS 43 2HG LYS 43 -12.877 2.333 -1.972 325 HG3 LYS 43 3HG LYS 43 -12.141 0.738 -2.150 326 HD2 LYS 43 2HD LYS 43 -13.234 -0.098 -0.244 327 HD3 LYS 43 3HD LYS 43 -13.666 1.517 0.317 328 HE2 LYS 43 2HE LYS 43 -14.717 0.383 -2.260 329 HE3 LYS 43 3HE LYS 43 -15.517 0.102 -0.715 330 HZ1 LYS 43 3HZ LYS 43 -15.632 2.543 -0.441 331 HZ2 LYS 43 1HZ LYS 43 -16.525 1.970 -1.761 332 HZ3 LYS 43 2HZ LYS 43 -15.031 2.731 -2.020 333 H VAL 44 HN VAL 44 -10.577 1.227 -3.670 334 HA VAL 44 HA VAL 44 -10.294 3.766 -5.124 335 HB VAL 44 HB VAL 44 -10.439 0.945 -6.214 336 HG11 VAL 44 1HG1 VAL 44 -9.749 3.549 -7.566 337 HG12 VAL 44 2HG1 VAL 44 -9.638 1.952 -8.303 338 HG13 VAL 44 3HG1 VAL 44 -11.207 2.592 -7.820 339 HG21 VAL 44 3HG2 VAL 44 -8.043 1.159 -6.617 340 HG22 VAL 44 1HG2 VAL 44 -8.048 2.737 -5.833 341 HG23 VAL 44 2HG2 VAL 44 -8.417 1.287 -4.899 342 H GLU 45 HN GLU 45 -12.063 4.784 -5.785 343 HA GLU 45 HA GLU 45 -14.624 3.416 -5.701 344 HB2 GLU 45 2HB GLU 45 -13.964 6.292 -6.384 345 HB3 GLU 45 3HB GLU 45 -15.577 5.636 -6.127 346 HG2 GLU 45 2HG GLU 45 -13.391 5.791 -4.060 347 HG3 GLU 45 3HG GLU 45 -14.780 6.869 -4.182 348 HA PRO 46 HA PRO 46 -14.596 2.363 -9.956 349 HB2 PRO 46 2HB PRO 46 -17.259 2.526 -10.558 350 HB3 PRO 46 3HB PRO 46 -16.534 1.196 -9.649 351 HG2 PRO 46 2HG PRO 46 -18.012 3.594 -8.646 352 HG3 PRO 46 3HG PRO 46 -18.117 1.907 -8.108 353 HD2 PRO 46 2HD PRO 46 -16.714 3.772 -6.751 354 HD3 PRO 46 3HD PRO 46 -16.206 2.073 -6.819 355 H ASP 47 HN ASP 47 -15.147 5.441 -8.940 356 HA ASP 47 HA ASP 47 -15.764 6.456 -11.623 357 HB2 ASP 47 2HB ASP 47 -15.967 7.855 -8.948 358 HB3 ASP 47 3HB ASP 47 -16.364 8.576 -10.503 359 H GLU 48 HN GLU 48 -13.180 5.829 -9.714 360 HA GLU 48 HA GLU 48 -11.633 7.996 -10.958 361 HB2 GLU 48 2HB GLU 48 -10.291 8.288 -8.941 362 HB3 GLU 48 3HB GLU 48 -11.987 8.616 -8.626 363 HG2 GLU 48 2HG GLU 48 -12.160 6.312 -7.678 364 HG3 GLU 48 3HG GLU 48 -10.401 6.206 -7.811 365 H SER 49 HN SER 49 -9.200 7.539 -10.716 366 HA SER 49 HA SER 49 -8.799 4.885 -11.822 367 HB2 SER 49 2HB SER 49 -8.024 6.825 -13.111 368 HB3 SER 49 3HB SER 49 -6.994 7.310 -11.767 369 HG SER 49 HG SER 49 -5.728 6.212 -13.214 370 H GLN 50 HN GLN 50 -6.952 3.586 -11.180 371 HA GLN 50 HA GLN 50 -6.779 3.210 -8.407 372 HB2 GLN 50 2HB GLN 50 -4.840 2.247 -10.519 373 HB3 GLN 50 3HB GLN 50 -5.031 1.579 -8.904 374 HG2 GLN 50 2HG GLN 50 -7.325 0.903 -9.475 375 HG3 GLN 50 3HG GLN 50 -7.088 1.538 -11.102 376 HE21 GLN 50 1HE2 GLN 50 -7.738 -1.159 -10.329 377 HE22 GLN 50 2HE2 GLN 50 -6.457 -2.165 -10.925 378 H ARG 51 HN ARG 51 -4.392 4.556 -10.688 379 HA ARG 51 HA ARG 51 -2.474 5.309 -8.764 380 HB2 ARG 51 2HB ARG 51 -3.081 6.734 -11.358 381 HB3 ARG 51 3HB ARG 51 -1.590 6.829 -10.440 382 HG2 ARG 51 2HG ARG 51 -1.153 4.462 -10.909 383 HG3 ARG 51 3HG ARG 51 -2.637 4.393 -11.869 384 HD2 ARG 51 2HD ARG 51 -1.767 6.097 -13.366 385 HD3 ARG 51 3HD ARG 51 -0.305 6.233 -12.393 386 HE ARG 51 HE ARG 51 -0.890 3.620 -13.544 387 HH11 ARG 51 2HH1 ARG 51 0.916 6.609 -13.680 388 HH12 ARG 51 1HH1 ARG 51 2.107 5.988 -14.780 389 HH21 ARG 51 2HH2 ARG 51 0.683 2.795 -14.996 390 HH22 ARG 51 1HH2 ARG 51 1.993 3.826 -15.507 391 H GLN 52 HN GLN 52 -5.360 6.868 -9.962 392 HA GLN 52 HA GLN 52 -4.756 9.468 -8.996 393 HB2 GLN 52 2HB GLN 52 -6.287 9.209 -10.829 394 HB3 GLN 52 3HB GLN 52 -7.328 8.160 -9.880 395 HG2 GLN 52 2HG GLN 52 -8.065 9.938 -8.537 396 HG3 GLN 52 3HG GLN 52 -6.814 11.023 -9.145 397 HE21 GLN 52 1HE2 GLN 52 -9.882 9.557 -9.746 398 HE22 GLN 52 2HE2 GLN 52 -10.277 10.470 -11.162 399 H ALA 53 HN ALA 53 -6.616 6.736 -7.792 400 HA ALA 53 HA ALA 53 -7.702 7.940 -5.514 401 HB1 ALA 53 1HB ALA 53 -8.035 5.686 -4.679 402 HB2 ALA 53 2HB ALA 53 -8.422 5.766 -6.399 403 HB3 ALA 53 3HB ALA 53 -6.896 5.055 -5.869 404 H LEU 54 HN LEU 54 -4.626 6.197 -5.978 405 HA LEU 54 HA LEU 54 -3.698 6.416 -3.345 406 HB2 LEU 54 2HB LEU 54 -2.292 6.196 -5.986 407 HB3 LEU 54 3HB LEU 54 -1.390 6.363 -4.493 408 HG LEU 54 HG LEU 54 -3.284 4.116 -5.175 409 HD11 LEU 54 1HD1 LEU 54 -1.189 3.999 -6.403 410 HD12 LEU 54 2HD1 LEU 54 -0.284 4.190 -4.902 411 HD13 LEU 54 3HD1 LEU 54 -1.258 2.745 -5.165 412 HD21 LEU 54 3HD2 LEU 54 -3.383 4.590 -2.817 413 HD22 LEU 54 1HD2 LEU 54 -2.441 3.121 -3.073 414 HD23 LEU 54 2HD2 LEU 54 -1.626 4.640 -2.717 415 H VAL 55 HN VAL 55 -3.318 8.548 -6.121 416 HA VAL 55 HA VAL 55 -1.548 10.366 -4.919 417 HB VAL 55 HB VAL 55 -3.517 10.781 -7.175 418 HG11 VAL 55 1HG1 VAL 55 -1.238 12.558 -6.296 419 HG12 VAL 55 2HG1 VAL 55 -2.238 12.787 -7.730 420 HG13 VAL 55 3HG1 VAL 55 -2.955 12.923 -6.125 421 HG21 VAL 55 3HG2 VAL 55 -1.804 9.124 -7.632 422 HG22 VAL 55 1HG2 VAL 55 -1.520 10.582 -8.584 423 HG23 VAL 55 2HG2 VAL 55 -0.546 10.262 -7.149 424 H ARG 56 HN ARG 56 -5.109 10.429 -5.146 425 HA ARG 56 HA ARG 56 -5.269 12.921 -3.785 426 HB2 ARG 56 2HB ARG 56 -7.697 12.516 -3.680 427 HB3 ARG 56 3HB ARG 56 -7.040 12.328 -5.293 428 HG2 ARG 56 2HG ARG 56 -8.315 10.492 -5.324 429 HG3 ARG 56 3HG ARG 56 -6.968 9.767 -4.443 430 HD2 ARG 56 2HD ARG 56 -8.074 9.862 -2.416 431 HD3 ARG 56 3HD ARG 56 -9.139 11.165 -2.943 432 HE ARG 56 HE ARG 56 -9.773 8.996 -4.538 433 HH11 ARG 56 2HH1 ARG 56 -9.701 9.598 -1.075 434 HH12 ARG 56 1HH1 ARG 56 -11.083 8.602 -0.757 435 HH21 ARG 56 2HH2 ARG 56 -11.613 7.718 -4.111 436 HH22 ARG 56 1HH2 ARG 56 -12.163 7.530 -2.470 437 H GLU 57 HN GLU 57 -5.610 9.552 -2.721 438 HA GLU 57 HA GLU 57 -6.305 10.116 -0.068 439 HB2 GLU 57 2HB GLU 57 -4.877 7.765 -1.291 440 HB3 GLU 57 3HB GLU 57 -5.298 7.835 0.415 441 HG2 GLU 57 2HG GLU 57 -7.248 8.014 -1.871 442 HG3 GLU 57 3HG GLU 57 -6.931 6.574 -0.903 443 H LEU 58 HN LEU 58 -3.071 9.720 -1.524 444 HA LEU 58 HA LEU 58 -1.706 9.906 0.955 445 HB2 LEU 58 2HB LEU 58 -0.629 10.632 -1.756 446 HB3 LEU 58 3HB LEU 58 0.317 10.307 -0.323 447 HG LEU 58 HG LEU 58 -1.289 8.347 -1.937 448 HD11 LEU 58 1HD1 LEU 58 0.884 7.232 -2.180 449 HD12 LEU 58 2HD1 LEU 58 0.879 8.863 -2.851 450 HD13 LEU 58 3HD1 LEU 58 1.641 8.553 -1.291 451 HD21 LEU 58 3HD2 LEU 58 0.081 7.907 0.710 452 HD22 LEU 58 1HD2 LEU 58 -1.654 7.838 0.400 453 HD23 LEU 58 2HD2 LEU 58 -0.583 6.638 -0.322 454 H ARG 59 HN ARG 59 -2.783 12.343 -1.373 455 HA ARG 59 HA ARG 59 -1.521 14.525 -0.175 456 HB2 ARG 59 2HB ARG 59 -2.598 14.763 -2.326 457 HB3 ARG 59 3HB ARG 59 -4.169 14.395 -1.625 458 HG2 ARG 59 2HG ARG 59 -4.147 16.435 -0.364 459 HG3 ARG 59 3HG ARG 59 -2.500 16.786 -0.885 460 HD2 ARG 59 2HD ARG 59 -3.228 17.053 -3.167 461 HD3 ARG 59 3HD ARG 59 -4.864 16.546 -2.740 462 HE ARG 59 HE ARG 59 -4.841 18.602 -1.244 463 HH11 ARG 59 2HH1 ARG 59 -3.044 18.396 -4.254 464 HH12 ARG 59 1HH1 ARG 59 -3.075 20.104 -4.538 465 HH21 ARG 59 2HH2 ARG 59 -4.893 20.851 -1.619 466 HH22 ARG 59 1HH2 ARG 59 -4.134 21.509 -3.045 467 H GLU 60 HN GLU 60 -4.367 12.736 0.773 468 HA GLU 60 HA GLU 60 -5.123 14.747 2.718 469 HB2 GLU 60 2HB GLU 60 -6.313 12.017 2.195 470 HB3 GLU 60 3HB GLU 60 -6.982 13.231 3.274 471 HG2 GLU 60 2HG GLU 60 -7.030 14.737 1.180 472 HG3 GLU 60 3HG GLU 60 -6.849 13.232 0.291 473 H GLU 61 HN GLU 61 -3.684 11.524 2.677 474 HA GLU 61 HA GLU 61 -3.615 11.520 5.584 475 HB2 GLU 61 2HB GLU 61 -2.875 9.395 3.582 476 HB3 GLU 61 3HB GLU 61 -2.604 9.245 5.322 477 HG2 GLU 61 2HG GLU 61 -5.287 9.753 4.111 478 HG3 GLU 61 3HG GLU 61 -4.657 8.155 4.542 479 H LEU 62 HN LEU 62 -1.327 11.570 2.878 480 HA LEU 62 HA LEU 62 0.845 11.680 4.858 481 HB2 LEU 62 2HB LEU 62 0.989 11.037 1.916 482 HB3 LEU 62 3HB LEU 62 2.323 10.980 3.051 483 HG LEU 62 HG LEU 62 -0.096 9.172 3.024 484 HD11 LEU 62 1HD1 LEU 62 1.559 7.432 2.563 485 HD12 LEU 62 2HD1 LEU 62 1.557 8.672 1.309 486 HD13 LEU 62 3HD1 LEU 62 2.833 8.651 2.526 487 HD21 LEU 62 3HD2 LEU 62 0.974 8.000 4.887 488 HD22 LEU 62 1HD2 LEU 62 2.236 9.230 4.943 489 HD23 LEU 62 2HD2 LEU 62 0.569 9.660 5.323 490 H GLY 63 HN GLY 63 -0.982 13.845 3.344 491 HA2 GLY 63 2HA GLY 63 -0.726 15.946 2.499 492 HA3 GLY 63 3HA GLY 63 0.662 16.011 3.566 493 H ILE 64 HN ILE 64 0.627 13.775 0.845 494 HA ILE 64 HA ILE 64 2.443 15.618 -0.553 495 HB ILE 64 HB ILE 64 3.820 13.719 -1.304 496 HG12 ILE 64 2HG1 ILE 64 2.247 12.129 0.744 497 HG13 ILE 64 3HG1 ILE 64 2.232 11.889 -0.999 498 HG21 ILE 64 1HG2 ILE 64 3.673 14.132 1.670 499 HG22 ILE 64 2HG2 ILE 64 5.036 13.413 0.812 500 HG23 ILE 64 3HG2 ILE 64 4.587 15.092 0.508 501 HD11 ILE 64 3HD1 ILE 64 3.631 10.236 0.114 502 HD12 ILE 64 1HD1 ILE 64 4.583 11.270 -0.953 503 HD13 ILE 64 2HD1 ILE 64 4.625 11.527 0.793 504 H GLU 65 HN GLU 65 2.417 15.647 -2.724 505 HA GLU 65 HA GLU 65 0.213 14.263 -4.059 506 HB2 GLU 65 2HB GLU 65 2.130 16.345 -5.133 507 HB3 GLU 65 3HB GLU 65 0.691 15.743 -5.944 508 HG2 GLU 65 2HG GLU 65 -0.717 16.737 -4.269 509 HG3 GLU 65 3HG GLU 65 0.691 17.245 -3.339 510 H ALA 66 HN ALA 66 0.902 12.186 -4.343 511 HA ALA 66 HA ALA 66 3.638 11.641 -5.086 512 HB1 ALA 66 1HB ALA 66 2.479 10.215 -3.469 513 HB2 ALA 66 2HB ALA 66 1.332 9.738 -4.721 514 HB3 ALA 66 3HB ALA 66 3.034 9.301 -4.872 515 H THR 67 HN THR 67 4.253 10.381 -6.898 516 HA THR 67 HA THR 67 2.421 10.597 -9.190 517 HB THR 67 HB THR 67 5.448 10.511 -9.239 518 HG1 THR 67 1HG THR 67 3.567 12.635 -9.430 519 HG21 THR 67 3HG2 THR 67 3.425 10.952 -11.439 520 HG22 THR 67 1HG2 THR 67 4.462 9.539 -11.240 521 HG23 THR 67 2HG2 THR 67 5.173 11.108 -11.616 522 H VAL 68 HN VAL 68 1.489 8.651 -9.365 523 HA VAL 68 HA VAL 68 2.884 6.251 -8.560 524 HB VAL 68 HB VAL 68 0.130 6.526 -9.781 525 HG11 VAL 68 1HG1 VAL 68 -0.274 4.337 -8.738 526 HG12 VAL 68 2HG1 VAL 68 0.999 4.279 -9.956 527 HG13 VAL 68 3HG1 VAL 68 1.417 4.278 -8.244 528 HG21 VAL 68 3HG2 VAL 68 0.928 6.399 -6.874 529 HG22 VAL 68 1HG2 VAL 68 0.313 7.820 -7.718 530 HG23 VAL 68 2HG2 VAL 68 -0.722 6.409 -7.497 531 H GLY 69 HN GLY 69 3.785 4.745 -9.913 532 HA2 GLY 69 2HA GLY 69 3.435 5.163 -12.801 533 HA3 GLY 69 3HA GLY 69 5.050 5.154 -12.118 534 H GLU 70 HN GLU 70 5.649 3.136 -10.896 535 HA GLU 70 HA GLU 70 5.007 0.945 -12.698 536 HB2 GLU 70 2HB GLU 70 7.022 -0.110 -11.757 537 HB3 GLU 70 3HB GLU 70 7.346 1.500 -12.387 538 HG2 GLU 70 2HG GLU 70 7.160 2.373 -10.068 539 HG3 GLU 70 3HG GLU 70 7.018 0.705 -9.514 540 H TYR 71 HN TYR 71 3.903 -0.799 -12.180 541 HA TYR 71 HA TYR 71 2.657 -1.047 -9.595 542 HB2 TYR 71 2HB TYR 71 1.587 -1.462 -11.861 543 HB3 TYR 71 3HB TYR 71 2.535 -2.937 -11.949 544 HD1 TYR 71 1HD TYR 71 0.584 -1.406 -9.154 545 HD2 TYR 71 2HD TYR 71 1.097 -4.709 -11.776 546 HE1 TYR 71 1HE TYR 71 -1.248 -2.587 -8.019 547 HE2 TYR 71 2HE TYR 71 -0.723 -5.903 -10.641 548 HH TYR 71 HH TYR 71 -1.888 -5.911 -8.536 549 H VAL 72 HN VAL 72 3.184 -2.485 -7.984 550 HA VAL 72 HA VAL 72 5.613 -4.071 -8.382 551 HB VAL 72 HB VAL 72 4.088 -3.424 -5.855 552 HG11 VAL 72 1HG1 VAL 72 6.685 -4.910 -6.223 553 HG12 VAL 72 2HG1 VAL 72 6.057 -4.344 -4.676 554 HG13 VAL 72 3HG1 VAL 72 5.172 -5.565 -5.594 555 HG21 VAL 72 3HG2 VAL 72 6.012 -2.006 -5.328 556 HG22 VAL 72 1HG2 VAL 72 6.716 -2.383 -6.900 557 HG23 VAL 72 2HG2 VAL 72 5.200 -1.488 -6.806 558 H ALA 73 HN ALA 73 2.647 -4.643 -6.479 559 HA ALA 73 HA ALA 73 2.127 -7.125 -7.882 560 HB1 ALA 73 1HB ALA 73 2.379 -8.574 -5.950 561 HB2 ALA 73 2HB ALA 73 3.909 -7.780 -6.322 562 HB3 ALA 73 3HB ALA 73 2.925 -7.210 -4.974 563 H SER 74 HN SER 74 0.311 -8.350 -6.695 564 HA SER 74 HA SER 74 -1.465 -6.514 -5.257 565 HB2 SER 74 2HB SER 74 -3.094 -8.236 -6.808 566 HB3 SER 74 3HB SER 74 -2.934 -6.486 -6.941 567 HG SER 74 HG SER 74 -1.310 -8.431 -8.251 568 H HIS 75 HN HIS 75 -2.969 -7.540 -3.866 569 HA HIS 75 HA HIS 75 -2.771 -10.436 -3.582 570 HB2 HIS 75 2HB HIS 75 -1.120 -9.423 -1.985 571 HB3 HIS 75 3HB HIS 75 -2.464 -8.605 -1.197 572 HD1 HIS 75 1HD HIS 75 -1.277 -12.141 -1.939 573 HD2 HIS 75 2HD HIS 75 -3.745 -10.080 0.701 574 HE1 HIS 75 1HE HIS 75 -2.007 -13.831 -0.225 575 HE2 HIS 75 2HE HIS 75 -3.372 -12.524 1.450 576 H GLN 76 HN GLN 76 -4.629 -11.370 -2.800 577 HA GLN 76 HA GLN 76 -6.858 -9.514 -2.306 578 HB2 GLN 76 2HB GLN 76 -6.748 -12.134 -3.739 579 HB3 GLN 76 3HB GLN 76 -8.247 -11.638 -2.959 580 HG2 GLN 76 2HG GLN 76 -8.325 -9.629 -4.258 581 HG3 GLN 76 3HG GLN 76 -6.743 -9.969 -4.957 582 HE21 GLN 76 1HE2 GLN 76 -9.342 -9.548 -6.255 583 HE22 GLN 76 2HE2 GLN 76 -9.611 -10.959 -7.217 584 H ARG 77 HN ARG 77 -8.039 -9.681 -0.537 585 HA ARG 77 HA ARG 77 -7.702 -11.979 1.246 586 HB2 ARG 77 2HB ARG 77 -7.306 -10.598 3.187 587 HB3 ARG 77 3HB ARG 77 -6.101 -10.178 1.978 588 HG2 ARG 77 2HG ARG 77 -7.448 -8.201 1.369 589 HG3 ARG 77 3HG ARG 77 -8.586 -8.609 2.654 590 HD2 ARG 77 2HD ARG 77 -6.688 -8.463 4.276 591 HD3 ARG 77 3HD ARG 77 -5.680 -7.883 2.962 592 HE ARG 77 HE ARG 77 -8.117 -6.388 3.530 593 HH11 ARG 77 2HH1 ARG 77 -4.623 -6.591 3.758 594 HH12 ARG 77 1HH1 ARG 77 -4.408 -4.916 4.155 595 HH21 ARG 77 2HH2 ARG 77 -7.841 -4.166 4.059 596 HH22 ARG 77 1HH2 ARG 77 -6.245 -3.540 4.329 597 H GLU 78 HN GLU 78 -9.556 -12.029 2.864 598 HA GLU 78 HA GLU 78 -11.863 -10.833 1.506 599 HB2 GLU 78 2HB GLU 78 -13.198 -12.625 2.194 600 HB3 GLU 78 3HB GLU 78 -11.670 -13.363 1.745 601 HG2 GLU 78 2HG GLU 78 -11.069 -13.325 4.189 602 HG3 GLU 78 3HG GLU 78 -12.747 -12.860 4.495 603 H VAL 79 HN VAL 79 -13.274 -9.556 2.487 604 HA VAL 79 HA VAL 79 -12.941 -9.079 5.363 605 HB VAL 79 HB VAL 79 -12.214 -7.098 4.272 606 HG11 VAL 79 1HG1 VAL 79 -13.542 -5.847 2.675 607 HG12 VAL 79 2HG1 VAL 79 -13.237 -7.478 2.083 608 HG13 VAL 79 3HG1 VAL 79 -14.816 -7.066 2.757 609 HG21 VAL 79 3HG2 VAL 79 -13.781 -5.443 5.137 610 HG22 VAL 79 1HG2 VAL 79 -15.027 -6.685 5.267 611 HG23 VAL 79 2HG2 VAL 79 -13.577 -6.783 6.266 612 H SER 80 HN SER 80 -14.507 -10.428 6.093 613 HA SER 80 HA SER 80 -16.536 -11.392 6.437 614 HB2 SER 80 2HB SER 80 -17.462 -8.548 5.973 615 HB3 SER 80 3HB SER 80 -18.351 -9.799 6.842 616 HG SER 80 HG SER 80 -17.335 -8.976 8.505 617 H GLY 81 HN GLY 81 -16.183 -12.490 4.251 618 HA2 GLY 81 2HA GLY 81 -17.344 -13.453 2.531 619 HA3 GLY 81 3HA GLY 81 -18.638 -12.296 2.787 620 H ARG 82 HN ARG 82 -16.255 -10.214 2.445 621 HA ARG 82 HA ARG 82 -16.646 -10.081 -0.469 622 HB2 ARG 82 2HB ARG 82 -15.646 -7.881 1.342 623 HB3 ARG 82 3HB ARG 82 -16.196 -7.729 -0.319 624 HG2 ARG 82 2HG ARG 82 -18.461 -8.283 0.358 625 HG3 ARG 82 3HG ARG 82 -17.920 -8.485 2.028 626 HD2 ARG 82 2HD ARG 82 -17.117 -6.105 1.939 627 HD3 ARG 82 3HD ARG 82 -17.933 -5.961 0.387 628 HE ARG 82 HE ARG 82 -19.804 -6.920 2.202 629 HH11 ARG 82 2HH1 ARG 82 -17.832 -4.056 1.817 630 HH12 ARG 82 1HH1 ARG 82 -18.980 -2.992 2.566 631 HH21 ARG 82 2HH2 ARG 82 -21.342 -5.529 3.186 632 HH22 ARG 82 1HH2 ARG 82 -20.988 -3.830 3.331 633 H ILE 83 HN ILE 83 -14.857 -9.685 -1.855 634 HA ILE 83 HA ILE 83 -12.292 -10.489 -0.649 635 HB ILE 83 HB ILE 83 -13.340 -10.769 -3.462 636 HG12 ILE 83 2HG1 ILE 83 -12.581 -13.141 -3.104 637 HG13 ILE 83 3HG1 ILE 83 -12.228 -12.718 -1.433 638 HG21 ILE 83 1HG2 ILE 83 -11.140 -11.560 -4.166 639 HG22 ILE 83 2HG2 ILE 83 -11.075 -9.879 -3.639 640 HG23 ILE 83 3HG2 ILE 83 -10.484 -11.158 -2.579 641 HD11 ILE 83 3HD1 ILE 83 -14.568 -12.228 -1.048 642 HD12 ILE 83 1HD1 ILE 83 -14.933 -12.580 -2.736 643 HD13 ILE 83 2HD1 ILE 83 -14.365 -13.866 -1.672 644 H ILE 84 HN ILE 84 -10.925 -8.887 -0.264 645 HA ILE 84 HA ILE 84 -11.117 -6.412 -1.793 646 HB ILE 84 HB ILE 84 -8.908 -6.431 0.065 647 HG12 ILE 84 2HG1 ILE 84 -11.578 -7.340 1.098 648 HG13 ILE 84 3HG1 ILE 84 -9.969 -7.941 1.506 649 HG21 ILE 84 1HG2 ILE 84 -10.100 -4.474 -0.890 650 HG22 ILE 84 2HG2 ILE 84 -11.475 -4.881 0.145 651 HG23 ILE 84 3HG2 ILE 84 -9.929 -4.439 0.866 652 HD11 ILE 84 3HD1 ILE 84 -11.190 -5.308 2.311 653 HD12 ILE 84 1HD1 ILE 84 -10.821 -6.694 3.357 654 HD13 ILE 84 2HD1 ILE 84 -9.511 -5.778 2.623 655 H HIS 85 HN HIS 85 -9.590 -5.652 -3.118 656 HA HIS 85 HA HIS 85 -7.417 -7.505 -3.857 657 HB2 HIS 85 2HB HIS 85 -9.397 -7.177 -5.469 658 HB3 HIS 85 3HB HIS 85 -8.775 -5.553 -5.710 659 HD1 HIS 85 1HD HIS 85 -8.586 -6.432 -8.239 660 HD2 HIS 85 2HD HIS 85 -5.946 -8.114 -5.504 661 HE1 HIS 85 1HE HIS 85 -6.779 -7.507 -9.617 662 HE2 HIS 85 2HE HIS 85 -5.359 -8.753 -7.947 663 H LEU 86 HN LEU 86 -5.669 -6.596 -2.887 664 HA LEU 86 HA LEU 86 -5.395 -3.702 -2.843 665 HB2 LEU 86 2HB LEU 86 -3.985 -5.969 -1.505 666 HB3 LEU 86 3HB LEU 86 -3.185 -4.415 -1.616 667 HG LEU 86 HG LEU 86 -5.311 -3.462 -0.517 668 HD11 LEU 86 1HD1 LEU 86 -5.653 -6.377 0.185 669 HD12 LEU 86 2HD1 LEU 86 -6.560 -5.033 0.878 670 HD13 LEU 86 3HD1 LEU 86 -6.730 -5.422 -0.834 671 HD21 LEU 86 3HD2 LEU 86 -4.453 -3.968 1.714 672 HD22 LEU 86 1HD2 LEU 86 -3.488 -5.288 1.050 673 HD23 LEU 86 2HD2 LEU 86 -3.139 -3.622 0.589 674 H HIS 87 HN HIS 87 -4.169 -2.576 -4.146 675 HA HIS 87 HA HIS 87 -2.326 -4.000 -5.962 676 HB2 HIS 87 2HB HIS 87 -3.613 -1.279 -6.331 677 HB3 HIS 87 3HB HIS 87 -2.619 -2.129 -7.506 678 HD1 HIS 87 1HD HIS 87 -3.700 -4.228 -8.660 679 HD2 HIS 87 2HD HIS 87 -6.278 -1.978 -6.295 680 HE1 HIS 87 1HE HIS 87 -6.024 -4.930 -9.325 681 HE2 HIS 87 2HE HIS 87 -7.574 -3.453 -7.989 682 H ALA 88 HN ALA 88 -0.240 -3.775 -5.320 683 HA ALA 88 HA ALA 88 0.487 -1.419 -3.750 684 HB1 ALA 88 1HB ALA 88 2.077 -3.916 -4.343 685 HB2 ALA 88 2HB ALA 88 2.553 -2.619 -3.249 686 HB3 ALA 88 3HB ALA 88 1.140 -3.608 -2.878 687 H TRP 89 HN TRP 89 1.261 0.288 -4.757 688 HA TRP 89 HA TRP 89 2.741 -0.091 -7.279 689 HB2 TRP 89 2HB TRP 89 1.270 2.346 -6.243 690 HB3 TRP 89 3HB TRP 89 2.193 2.290 -7.739 691 HD1 TRP 89 1HD TRP 89 -1.016 0.813 -6.180 692 HE1 TRP 89 1HE TRP 89 -2.624 0.209 -8.096 693 HE3 TRP 89 3HE TRP 89 2.049 1.770 -10.163 694 HZ2 TRP 89 2HZ TRP 89 -2.602 0.142 -10.915 695 HZ3 TRP 89 3HZ TRP 89 1.174 1.412 -12.436 696 HH2 TRP 89 2HH TRP 89 -1.104 0.615 -12.801 697 H HIS 90 HN HIS 90 4.787 0.771 -7.497 698 HA HIS 90 HA HIS 90 6.100 1.650 -5.060 699 HB2 HIS 90 2HB HIS 90 7.258 0.055 -6.509 700 HB3 HIS 90 3HB HIS 90 7.143 1.167 -7.860 701 HD1 HIS 90 1HD HIS 90 9.241 2.400 -8.313 702 HD2 HIS 90 2HD HIS 90 8.909 1.308 -4.308 703 HE1 HIS 90 1HE HIS 90 11.364 3.164 -7.219 704 HE2 HIS 90 2HE HIS 90 11.269 2.205 -4.894 705 H VAL 91 HN VAL 91 6.281 3.732 -4.519 706 HA VAL 91 HA VAL 91 5.574 5.761 -6.480 707 HB VAL 91 HB VAL 91 6.223 6.066 -3.541 708 HG11 VAL 91 1HG1 VAL 91 5.190 8.268 -3.737 709 HG12 VAL 91 2HG1 VAL 91 6.586 8.127 -4.805 710 HG13 VAL 91 3HG1 VAL 91 4.954 8.011 -5.465 711 HG21 VAL 91 3HG2 VAL 91 3.563 5.913 -4.954 712 HG22 VAL 91 1HG2 VAL 91 4.239 4.708 -3.855 713 HG23 VAL 91 2HG2 VAL 91 3.792 6.303 -3.249 714 HA PRO 92 HA PRO 92 9.996 6.210 -7.161 715 HB2 PRO 92 2HB PRO 92 9.802 7.502 -9.510 716 HB3 PRO 92 3HB PRO 92 9.503 5.768 -9.373 717 HG2 PRO 92 2HG PRO 92 7.540 8.023 -9.513 718 HG3 PRO 92 3HG PRO 92 7.498 6.449 -10.331 719 HD2 PRO 92 2HD PRO 92 6.088 7.013 -8.057 720 HD3 PRO 92 3HD PRO 92 6.633 5.383 -8.499 721 H ASP 93 HN ASP 93 7.560 8.734 -7.130 722 HA ASP 93 HA ASP 93 9.343 10.482 -5.725 723 HB2 ASP 93 2HB ASP 93 9.828 10.818 -8.253 724 HB3 ASP 93 3HB ASP 93 8.283 11.666 -8.270 725 H PHE 94 HN PHE 94 8.300 12.326 -4.839 726 HA PHE 94 HA PHE 94 5.422 12.565 -5.188 727 HB2 PHE 94 2HB PHE 94 5.100 12.493 -2.681 728 HB3 PHE 94 3HB PHE 94 5.481 10.945 -3.426 729 HD1 PHE 94 2HD PHE 94 7.628 9.875 -3.046 730 HD2 PHE 94 1HD PHE 94 6.666 13.594 -1.210 731 HE1 PHE 94 2HE PHE 94 9.521 9.596 -1.499 732 HE2 PHE 94 1HE PHE 94 8.556 13.321 0.339 733 HZ PHE 94 HZ PHE 94 9.987 11.323 0.196 734 H HIS 95 HN HIS 95 4.638 14.603 -4.732 735 HA HIS 95 HA HIS 95 6.685 16.637 -4.239 736 HB2 HIS 95 2HB HIS 95 5.295 16.849 -6.259 737 HB3 HIS 95 3HB HIS 95 3.846 16.875 -5.265 738 HD1 HIS 95 1HD HIS 95 6.606 19.010 -6.516 739 HD2 HIS 95 2HD HIS 95 3.412 19.310 -3.863 740 HE1 HIS 95 1HE HIS 95 6.347 21.465 -6.034 741 HE2 HIS 95 2HE HIS 95 4.252 21.629 -4.645 742 H GLY 96 HN GLY 96 6.891 17.437 -2.248 743 HA2 GLY 96 2HA GLY 96 5.621 18.933 -0.688 744 HA3 GLY 96 3HA GLY 96 4.466 17.615 -0.572 745 H THR 97 HN THR 97 4.840 17.742 1.729 746 HA THR 97 HA THR 97 7.272 16.273 2.508 747 HB THR 97 HB THR 97 5.772 18.274 4.217 748 HG1 THR 97 1HG THR 97 7.462 18.733 2.258 749 HG21 THR 97 3HG2 THR 97 8.408 16.858 4.658 750 HG22 THR 97 1HG2 THR 97 6.898 16.496 5.493 751 HG23 THR 97 2HG2 THR 97 7.685 18.056 5.730 752 H LEU 98 HN LEU 98 6.915 14.406 3.554 753 HA LEU 98 HA LEU 98 4.200 13.463 3.525 754 HB2 LEU 98 2HB LEU 98 5.232 11.274 4.256 755 HB3 LEU 98 3HB LEU 98 5.684 11.880 2.677 756 HG LEU 98 HG LEU 98 7.481 12.458 4.998 757 HD11 LEU 98 1HD1 LEU 98 7.002 10.084 5.216 758 HD12 LEU 98 2HD1 LEU 98 7.342 9.845 3.501 759 HD13 LEU 98 3HD1 LEU 98 8.635 10.329 4.597 760 HD21 LEU 98 3HD2 LEU 98 9.111 11.914 3.024 761 HD22 LEU 98 1HD2 LEU 98 7.677 12.190 2.029 762 HD23 LEU 98 2HD2 LEU 98 8.283 13.470 3.077 763 H GLN 99 HN GLN 99 2.868 13.464 5.107 764 HA GLN 99 HA GLN 99 3.870 13.570 7.864 765 HB2 GLN 99 2HB GLN 99 2.265 15.254 8.429 766 HB3 GLN 99 3HB GLN 99 3.108 15.815 6.988 767 HG2 GLN 99 2HG GLN 99 1.242 15.150 5.600 768 HG3 GLN 99 3HG GLN 99 0.399 14.505 7.007 769 HE21 GLN 99 1HE2 GLN 99 1.312 16.717 8.724 770 HE22 GLN 99 2HE2 GLN 99 0.338 18.078 8.273 771 H ALA 100 HN ALA 100 1.987 13.022 9.421 772 HA ALA 100 HA ALA 100 0.365 10.895 8.184 773 HB1 ALA 100 1HB ALA 100 2.082 10.126 9.798 774 HB2 ALA 100 2HB ALA 100 1.249 11.032 11.061 775 HB3 ALA 100 3HB ALA 100 0.439 9.684 10.256 776 H HIS 101 HN HIS 101 -1.707 11.329 8.012 777 HA HIS 101 HA HIS 101 -2.933 13.423 9.616 778 HB2 HIS 101 2HB HIS 101 -3.327 13.466 7.224 779 HB3 HIS 101 3HB HIS 101 -3.887 11.804 7.251 780 HD1 HIS 101 1HD HIS 101 -6.316 11.540 7.174 781 HD2 HIS 101 2HD HIS 101 -5.216 15.201 8.830 782 HE1 HIS 101 1HE HIS 101 -8.466 12.770 7.603 783 HE2 HIS 101 2HE HIS 101 -7.769 15.041 8.420 784 H GLU 102 HN GLU 102 -4.338 10.366 8.480 785 HA GLU 102 HA GLU 102 -5.829 10.085 10.941 786 HB2 GLU 102 2HB GLU 102 -5.816 8.852 8.239 787 HB3 GLU 102 3HB GLU 102 -6.412 7.848 9.567 788 HG2 GLU 102 2HG GLU 102 -7.459 10.579 8.841 789 HG3 GLU 102 3HG GLU 102 -8.227 9.041 8.438 790 H HIS 103 HN HIS 103 -2.939 8.954 9.594 791 HA HIS 103 HA HIS 103 -2.828 6.582 11.264 792 HB2 HIS 103 2HB HIS 103 -0.921 7.701 9.195 793 HB3 HIS 103 3HB HIS 103 -0.626 6.229 10.110 794 HD1 HIS 103 1HD HIS 103 -3.251 7.605 7.674 795 HD2 HIS 103 2HD HIS 103 -1.630 3.985 8.957 796 HE1 HIS 103 1HE HIS 103 -4.265 5.837 6.204 797 HE2 HIS 103 2HE HIS 103 -3.382 3.639 7.078 798 H GLN 104 HN GLN 104 -1.327 6.320 12.950 799 HA GLN 104 HA GLN 104 -0.956 8.777 14.392 800 HB2 GLN 104 2HB GLN 104 -1.753 6.705 15.479 801 HB3 GLN 104 3HB GLN 104 -0.193 5.957 15.166 802 HG2 GLN 104 2HG GLN 104 -0.317 6.707 17.453 803 HG3 GLN 104 3HG GLN 104 0.888 7.647 16.576 804 HE21 GLN 104 1HE2 GLN 104 0.767 9.345 18.037 805 HE22 GLN 104 2HE2 GLN 104 -0.594 10.415 18.101 806 H ALA 105 HN ALA 105 1.265 6.169 13.411 807 HA ALA 105 HA ALA 105 3.460 8.116 13.676 808 HB1 ALA 105 1HB ALA 105 3.551 5.142 14.166 809 HB2 ALA 105 2HB ALA 105 4.920 6.248 14.277 810 HB3 ALA 105 3HB ALA 105 3.570 6.401 15.401 811 H LEU 106 HN LEU 106 5.243 7.887 12.215 812 HA LEU 106 HA LEU 106 4.676 6.335 9.779 813 HB2 LEU 106 2HB LEU 106 4.564 9.134 9.998 814 HB3 LEU 106 3HB LEU 106 6.114 8.798 9.256 815 HG LEU 106 HG LEU 106 4.955 7.502 7.490 816 HD11 LEU 106 1HD1 LEU 106 2.463 8.574 8.806 817 HD12 LEU 106 2HD1 LEU 106 2.533 7.729 7.260 818 HD13 LEU 106 3HD1 LEU 106 2.960 6.882 8.748 819 HD21 LEU 106 3HD2 LEU 106 5.553 9.828 7.129 820 HD22 LEU 106 1HD2 LEU 106 4.020 9.455 6.340 821 HD23 LEU 106 2HD2 LEU 106 4.035 10.349 7.861 822 H VAL 107 HN VAL 107 6.391 5.089 9.238 823 HA VAL 107 HA VAL 107 9.051 5.914 10.193 824 HB VAL 107 HB VAL 107 8.079 4.148 11.693 825 HG11 VAL 107 1HG1 VAL 107 8.354 2.396 9.255 826 HG12 VAL 107 2HG1 VAL 107 7.985 1.846 10.891 827 HG13 VAL 107 3HG1 VAL 107 6.842 2.875 10.027 828 HG21 VAL 107 3HG2 VAL 107 10.096 2.763 11.740 829 HG22 VAL 107 1HG2 VAL 107 10.551 3.376 10.149 830 HG23 VAL 107 2HG2 VAL 107 10.482 4.471 11.530 831 H TRP 108 HN TRP 108 10.744 5.450 8.863 832 HA TRP 108 HA TRP 108 10.071 4.089 6.351 833 HB2 TRP 108 2HB TRP 108 11.936 5.334 5.298 834 HB3 TRP 108 3HB TRP 108 10.667 6.390 5.896 835 HD1 TRP 108 1HD TRP 108 14.350 5.668 6.233 836 HE1 TRP 108 1HE TRP 108 15.421 7.388 7.822 837 HE3 TRP 108 3HE TRP 108 10.099 7.839 8.082 838 HZ2 TRP 108 2HZ TRP 108 14.581 9.384 9.617 839 HZ3 TRP 108 3HZ TRP 108 10.329 9.651 9.729 840 HH2 TRP 108 2HH TRP 108 12.525 10.407 10.479 841 H CYS 109 HN CYS 109 10.875 2.177 6.138 842 HA CYS 109 HA CYS 109 13.444 1.525 7.393 843 HB2 CYS 109 2HB CYS 109 12.533 -0.612 8.269 844 HB3 CYS 109 3HB CYS 109 11.834 0.804 9.044 845 HG CYS 109 HG CYS 109 9.427 0.668 7.638 846 H SER 110 HN SER 110 14.379 -0.495 6.553 847 HA SER 110 HA SER 110 14.263 -0.494 3.722 848 HB2 SER 110 2HB SER 110 15.489 -2.631 5.479 849 HB3 SER 110 3HB SER 110 15.982 -2.153 3.852 850 HG SER 110 HG SER 110 17.242 -0.740 4.755 851 HA PRO 111 HA PRO 111 11.017 -3.265 2.608 852 HB2 PRO 111 2HB PRO 111 12.521 -5.265 1.275 853 HB3 PRO 111 3HB PRO 111 11.699 -3.880 0.553 854 HG2 PRO 111 2HG PRO 111 14.556 -4.219 1.276 855 HG3 PRO 111 3HG PRO 111 13.826 -3.256 -0.020 856 HD2 PRO 111 2HD PRO 111 14.832 -2.105 2.182 857 HD3 PRO 111 3HD PRO 111 13.370 -1.471 1.393 858 H GLU 112 HN GLU 112 13.901 -5.150 3.577 859 HA GLU 112 HA GLU 112 12.331 -7.377 4.437 860 HB2 GLU 112 2HB GLU 112 14.475 -8.242 5.332 861 HB3 GLU 112 3HB GLU 112 14.586 -7.737 3.652 862 HG2 GLU 112 2HG GLU 112 15.569 -5.591 4.422 863 HG3 GLU 112 3HG GLU 112 15.576 -6.237 6.063 864 H GLU 113 HN GLU 113 13.465 -4.479 5.978 865 HA GLU 113 HA GLU 113 13.093 -5.378 8.661 866 HB2 GLU 113 2HB GLU 113 13.056 -2.538 7.619 867 HB3 GLU 113 3HB GLU 113 13.309 -3.042 9.283 868 HG2 GLU 113 2HG GLU 113 15.155 -3.600 6.972 869 HG3 GLU 113 3HG GLU 113 15.389 -2.372 8.212 870 H ALA 114 HN ALA 114 11.121 -3.775 6.243 871 HA ALA 114 HA ALA 114 8.965 -2.927 7.788 872 HB1 ALA 114 1HB ALA 114 7.684 -2.908 5.720 873 HB2 ALA 114 2HB ALA 114 9.314 -2.295 5.441 874 HB3 ALA 114 3HB ALA 114 8.891 -3.934 4.944 875 H LEU 115 HN LEU 115 9.696 -6.102 6.518 876 HA LEU 115 HA LEU 115 7.087 -7.163 7.092 877 HB2 LEU 115 2HB LEU 115 9.660 -8.324 6.132 878 HB3 LEU 115 3HB LEU 115 8.412 -9.394 6.732 879 HG LEU 115 HG LEU 115 8.209 -7.499 4.406 880 HD11 LEU 115 1HD1 LEU 115 7.815 -9.540 3.127 881 HD12 LEU 115 2HD1 LEU 115 9.385 -9.569 3.930 882 HD13 LEU 115 3HD1 LEU 115 8.038 -10.497 4.592 883 HD21 LEU 115 3HD2 LEU 115 5.928 -8.403 4.104 884 HD22 LEU 115 1HD2 LEU 115 6.069 -9.194 5.674 885 HD23 LEU 115 2HD2 LEU 115 6.102 -7.433 5.567 886 H GLN 116 HN GLN 116 9.812 -6.487 8.976 887 HA GLN 116 HA GLN 116 9.265 -8.504 10.978 888 HB2 GLN 116 2HB GLN 116 11.084 -6.091 11.043 889 HB3 GLN 116 3HB GLN 116 11.043 -7.378 12.240 890 HG2 GLN 116 2HG GLN 116 11.795 -8.979 10.586 891 HG3 GLN 116 3HG GLN 116 11.745 -7.740 9.332 892 HE21 GLN 116 1HE2 GLN 116 13.900 -7.902 8.833 893 HE22 GLN 116 2HE2 GLN 116 15.156 -7.369 9.898 894 H TYR 117 HN TYR 117 7.876 -5.680 10.030 895 HA TYR 117 HA TYR 117 7.055 -4.845 12.702 896 HB2 TYR 117 2HB TYR 117 6.686 -3.671 9.946 897 HB3 TYR 117 3HB TYR 117 5.759 -3.086 11.320 898 HD1 TYR 117 1HD TYR 117 9.297 -3.717 10.298 899 HD2 TYR 117 2HD TYR 117 6.603 -1.318 12.546 900 HE1 TYR 117 1HE TYR 117 11.139 -2.190 10.864 901 HE2 TYR 117 2HE TYR 117 8.436 0.217 13.122 902 HH TYR 117 HH TYR 117 10.870 0.196 13.286 903 HA PRO 118 HA PRO 118 3.122 -6.896 12.307 904 HB2 PRO 118 2HB PRO 118 1.433 -5.207 13.575 905 HB3 PRO 118 3HB PRO 118 2.627 -6.182 14.440 906 HG2 PRO 118 2HG PRO 118 2.754 -3.301 13.640 907 HG3 PRO 118 3HG PRO 118 3.235 -4.060 15.168 908 HD2 PRO 118 2HD PRO 118 5.012 -3.384 13.218 909 HD3 PRO 118 3HD PRO 118 5.272 -4.745 14.327 910 H LEU 119 HN LEU 119 3.314 -6.424 9.939 911 HA LEU 119 HA LEU 119 1.676 -4.286 8.897 912 HB2 LEU 119 2HB LEU 119 3.097 -6.597 7.585 913 HB3 LEU 119 3HB LEU 119 2.126 -5.445 6.693 914 HG LEU 119 HG LEU 119 4.643 -4.815 8.254 915 HD11 LEU 119 1HD1 LEU 119 5.599 -4.377 6.046 916 HD12 LEU 119 2HD1 LEU 119 5.066 -6.051 6.197 917 HD13 LEU 119 3HD1 LEU 119 4.093 -4.896 5.287 918 HD21 LEU 119 3HD2 LEU 119 4.438 -2.586 7.261 919 HD22 LEU 119 1HD2 LEU 119 2.886 -3.042 6.558 920 HD23 LEU 119 2HD2 LEU 119 3.068 -2.955 8.310 921 H ALA 120 HN ALA 120 -0.219 -4.602 7.637 922 HA ALA 120 HA ALA 120 -2.105 -6.356 8.768 923 HB1 ALA 120 1HB ALA 120 -2.687 -4.208 7.737 924 HB2 ALA 120 2HB ALA 120 -2.263 -4.856 6.152 925 HB3 ALA 120 3HB ALA 120 -3.621 -5.536 7.049 926 HA PRO 121 HA PRO 121 -1.909 -10.268 6.919 927 HB2 PRO 121 2HB PRO 121 -4.359 -10.496 5.583 928 HB3 PRO 121 3HB PRO 121 -4.043 -10.912 7.268 929 HG2 PRO 121 2HG PRO 121 -5.225 -8.432 6.115 930 HG3 PRO 121 3HG PRO 121 -5.625 -9.274 7.624 931 HD2 PRO 121 2HD PRO 121 -4.195 -7.021 7.650 932 HD3 PRO 121 3HD PRO 121 -3.809 -8.357 8.759 933 H ALA 122 HN ALA 122 -3.122 -7.851 4.612 934 HA ALA 122 HA ALA 122 -2.216 -9.517 2.393 935 HB1 ALA 122 1HB ALA 122 -3.806 -6.968 2.467 936 HB2 ALA 122 2HB ALA 122 -3.228 -7.710 0.974 937 HB3 ALA 122 3HB ALA 122 -4.350 -8.583 2.011 938 H ASP 123 HN ASP 123 -1.072 -7.069 4.358 939 HA ASP 123 HA ASP 123 0.453 -5.627 2.397 940 HB2 ASP 123 2HB ASP 123 0.416 -5.565 5.419 941 HB3 ASP 123 3HB ASP 123 1.437 -4.517 4.437 942 H ILE 124 HN ILE 124 0.905 -8.312 4.534 943 HA ILE 124 HA ILE 124 3.721 -8.410 4.529 944 HB ILE 124 HB ILE 124 1.765 -10.713 4.722 945 HG12 ILE 124 2HG1 ILE 124 1.469 -8.988 6.480 946 HG13 ILE 124 3HG1 ILE 124 2.032 -10.524 7.133 947 HG21 ILE 124 1HG2 ILE 124 3.601 -11.943 5.774 948 HG22 ILE 124 2HG2 ILE 124 4.000 -11.474 4.122 949 HG23 ILE 124 3HG2 ILE 124 4.684 -10.582 5.482 950 HD11 ILE 124 3HD1 ILE 124 4.286 -9.647 7.305 951 HD12 ILE 124 1HD1 ILE 124 3.763 -8.122 6.586 952 HD13 ILE 124 2HD1 ILE 124 3.146 -8.612 8.165 953 HA PRO 125 HA PRO 125 3.287 -11.477 0.691 954 HB2 PRO 125 2HB PRO 125 0.899 -11.032 -0.691 955 HB3 PRO 125 3HB PRO 125 1.258 -12.421 0.342 956 HG2 PRO 125 2HG PRO 125 -0.244 -9.926 0.965 957 HG3 PRO 125 3HG PRO 125 -0.564 -11.591 1.484 958 HD2 PRO 125 2HD PRO 125 0.528 -9.811 3.146 959 HD3 PRO 125 3HD PRO 125 1.051 -11.509 3.150 960 H LEU 126 HN LEU 126 1.801 -8.255 0.671 961 HA LEU 126 HA LEU 126 2.504 -7.633 -2.019 962 HB2 LEU 126 2HB LEU 126 1.856 -5.888 0.354 963 HB3 LEU 126 3HB LEU 126 2.206 -5.241 -1.237 964 HG LEU 126 HG LEU 126 -0.096 -7.070 -0.559 965 HD11 LEU 126 1HD1 LEU 126 -0.027 -4.128 -1.213 966 HD12 LEU 126 2HD1 LEU 126 -1.481 -5.099 -0.981 967 HD13 LEU 126 3HD1 LEU 126 -0.373 -4.835 0.366 968 HD21 LEU 126 3HD2 LEU 126 0.689 -7.423 -2.831 969 HD22 LEU 126 1HD2 LEU 126 -0.857 -6.574 -2.837 970 HD23 LEU 126 2HD2 LEU 126 0.638 -5.687 -3.134 971 H LEU 127 HN LEU 127 4.045 -7.172 1.107 972 HA LEU 127 HA LEU 127 6.259 -5.707 0.042 973 HB2 LEU 127 2HB LEU 127 5.383 -5.718 2.459 974 HB3 LEU 127 3HB LEU 127 6.247 -7.231 2.638 975 HG LEU 127 HG LEU 127 7.473 -5.215 3.489 976 HD11 LEU 127 1HD1 LEU 127 9.608 -5.854 2.682 977 HD12 LEU 127 2HD1 LEU 127 8.629 -7.318 2.741 978 HD13 LEU 127 3HD1 LEU 127 8.922 -6.519 1.199 979 HD21 LEU 127 3HD2 LEU 127 6.751 -3.635 1.803 980 HD22 LEU 127 1HD2 LEU 127 8.511 -3.740 1.834 981 HD23 LEU 127 2HD2 LEU 127 7.602 -4.550 0.560 982 H GLU 128 HN GLU 128 5.545 -9.075 0.772 983 HA GLU 128 HA GLU 128 8.121 -10.106 0.583 984 HB2 GLU 128 2HB GLU 128 5.515 -11.424 -0.208 985 HB3 GLU 128 3HB GLU 128 7.034 -12.264 0.061 986 HG2 GLU 128 2HG GLU 128 6.989 -11.365 2.410 987 HG3 GLU 128 3HG GLU 128 5.349 -10.815 2.081 988 H ALA 129 HN ALA 129 5.720 -9.472 -1.960 989 HA ALA 129 HA ALA 129 7.460 -10.444 -4.021 990 HB1 ALA 129 1HB ALA 129 5.109 -8.621 -4.417 991 HB2 ALA 129 2HB ALA 129 5.862 -9.717 -5.581 992 HB3 ALA 129 3HB ALA 129 4.967 -10.373 -4.207 993 H PHE 130 HN PHE 130 7.015 -7.384 -2.406 994 HA PHE 130 HA PHE 130 8.208 -5.794 -4.439 995 HB2 PHE 130 2HB PHE 130 6.774 -4.860 -2.632 996 HB3 PHE 130 3HB PHE 130 8.021 -5.272 -1.461 997 HD1 PHE 130 2HD PHE 130 7.250 -3.157 -4.379 998 HD2 PHE 130 1HD PHE 130 9.893 -3.871 -1.124 999 HE1 PHE 130 2HE PHE 130 8.328 -0.987 -4.785 1000 HE2 PHE 130 1HE PHE 130 10.971 -1.700 -1.523 1001 HZ PHE 130 HZ PHE 130 10.190 -0.256 -3.355 1002 H MET 131 HN MET 131 9.370 -7.299 -1.446 1003 HA MET 131 HA MET 131 12.086 -6.600 -1.872 1004 HB2 MET 131 2HB MET 131 12.611 -8.120 -0.074 1005 HB3 MET 131 3HB MET 131 11.161 -7.225 0.350 1006 HG2 MET 131 2HG MET 131 9.811 -9.181 -0.356 1007 HG3 MET 131 3HG MET 131 11.309 -10.069 -0.619 1008 HE1 MET 131 3HE MET 131 12.799 -10.160 3.024 1009 HE2 MET 131 1HE MET 131 13.047 -10.636 1.343 1010 HE3 MET 131 2HE MET 131 13.092 -8.932 1.792 1011 H ALA 132 HN ALA 132 10.105 -9.432 -2.800 1012 HA ALA 132 HA ALA 132 12.059 -10.956 -4.006 1013 HB1 ALA 132 1HB ALA 132 9.752 -11.700 -3.750 1014 HB2 ALA 132 2HB ALA 132 9.207 -10.480 -4.908 1015 HB3 ALA 132 3HB ALA 132 10.248 -11.808 -5.438 1016 H LEU 133 HN LEU 133 10.295 -8.157 -5.266 1017 HA LEU 133 HA LEU 133 11.297 -8.287 -7.896 1018 HB2 LEU 133 2HB LEU 133 9.710 -6.468 -6.291 1019 HB3 LEU 133 3HB LEU 133 10.804 -5.596 -7.349 1020 HG LEU 133 HG LEU 133 9.870 -6.816 -9.286 1021 HD11 LEU 133 1HD1 LEU 133 9.158 -8.852 -8.176 1022 HD12 LEU 133 2HD1 LEU 133 7.947 -7.956 -7.259 1023 HD13 LEU 133 3HD1 LEU 133 7.798 -8.101 -9.010 1024 HD21 LEU 133 3HD2 LEU 133 7.725 -5.665 -9.337 1025 HD22 LEU 133 1HD2 LEU 133 7.810 -5.413 -7.594 1026 HD23 LEU 133 2HD2 LEU 133 8.983 -4.634 -8.655 1027 H ARG 134 HN ARG 134 12.399 -6.582 -5.001 1028 HA ARG 134 HA ARG 134 14.509 -5.237 -6.350 1029 HB2 ARG 134 2HB ARG 134 13.944 -5.705 -3.429 1030 HB3 ARG 134 3HB ARG 134 15.332 -4.787 -3.994 1031 HG2 ARG 134 2HG ARG 134 13.803 -3.225 -5.127 1032 HG3 ARG 134 3HG ARG 134 12.433 -4.127 -4.473 1033 HD2 ARG 134 2HD ARG 134 13.047 -2.076 -3.170 1034 HD3 ARG 134 3HD ARG 134 13.046 -3.568 -2.230 1035 HE ARG 134 HE ARG 134 15.448 -3.549 -2.282 1036 HH11 ARG 134 2HH1 ARG 134 13.881 -0.552 -3.240 1037 HH12 ARG 134 1HH1 ARG 134 15.353 0.370 -3.144 1038 HH21 ARG 134 2HH2 ARG 134 17.353 -2.307 -2.118 1039 HH22 ARG 134 1HH2 ARG 134 17.299 -0.608 -2.484 1040 H ALA 135 HN ALA 135 14.194 -8.416 -5.051 1041 HA ALA 135 HA ALA 135 17.077 -8.751 -4.763 1042 HB1 ALA 135 1HB ALA 135 16.556 -10.940 -3.850 1043 HB2 ALA 135 2HB ALA 135 15.594 -9.697 -3.051 1044 HB3 ALA 135 3HB ALA 135 14.857 -10.732 -4.274 1045 H ALA 136 HN ALA 136 14.420 -9.899 -6.790 1046 HA ALA 136 HA ALA 136 16.225 -11.588 -8.331 1047 HB1 ALA 136 1HB ALA 136 13.993 -12.425 -7.788 1048 HB2 ALA 136 2HB ALA 136 13.271 -11.085 -8.680 1049 HB3 ALA 136 3HB ALA 136 14.228 -12.299 -9.530 1050 H ARG 137 HN ARG 137 14.572 -8.551 -8.561 1051 HA ARG 137 HA ARG 137 14.611 -6.826 -9.994 1052 HB2 ARG 137 2HB ARG 137 17.037 -6.939 -9.825 1053 HB3 ARG 137 3HB ARG 137 17.087 -8.146 -11.110 1054 HG2 ARG 137 2HG ARG 137 16.164 -6.528 -12.678 1055 HG3 ARG 137 3HG ARG 137 16.086 -5.321 -11.396 1056 HD2 ARG 137 2HD ARG 137 18.536 -5.452 -11.166 1057 HD3 ARG 137 3HD ARG 137 18.581 -6.605 -12.505 1058 HE ARG 137 HE ARG 137 17.543 -4.752 -13.852 1059 HH11 ARG 137 2HH1 ARG 137 19.623 -4.117 -11.099 1060 HH12 ARG 137 1HH1 ARG 137 20.015 -2.500 -11.619 1061 HH21 ARG 137 2HH2 ARG 137 18.031 -2.646 -14.523 1062 HH22 ARG 137 1HH2 ARG 137 19.106 -1.659 -13.569 1063 HA PRO 138 HA PRO 138 12.488 -8.796 -13.456 1064 HB2 PRO 138 2HB PRO 138 10.466 -7.030 -13.579 1065 HB3 PRO 138 3HB PRO 138 10.497 -8.323 -12.374 1066 HG2 PRO 138 2HG PRO 138 11.177 -5.430 -12.069 1067 HG3 PRO 138 3HG PRO 138 10.292 -6.496 -10.964 1068 HD2 PRO 138 2HD PRO 138 12.950 -5.827 -10.688 1069 HD3 PRO 138 3HD PRO 138 12.210 -7.294 -10.017 1070 H ALA 139 HN ALA 139 13.026 -8.358 -15.522 1071 HA ALA 139 HA ALA 139 14.402 -5.928 -16.174 1072 HB1 ALA 139 1HB ALA 139 15.067 -8.056 -17.171 1073 HB2 ALA 139 2HB ALA 139 13.498 -8.181 -17.967 1074 HB3 ALA 139 3HB ALA 139 14.613 -6.890 -18.414 1075 H ASP 140 HN ASP 140 11.307 -7.389 -17.026 1076 HA ASP 140 HA ASP 140 10.088 -4.799 -17.298 1077 HB2 ASP 140 2HB ASP 140 10.990 -5.023 -19.548 1078 HB3 ASP 140 3HB ASP 140 10.295 -6.636 -19.697 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -19.075 -12.523 -20.186 2 H2 GLY 1 2H GLY 1 -18.763 -11.685 -18.742 3 H3 GLY 1 3H GLY 1 -20.201 -11.399 -19.593 4 HA2 GLY 1 3HA GLY 1 -20.917 -13.679 -19.180 5 HA3 GLY 1 2HA GLY 1 -19.441 -13.939 -18.260 6 HA PRO 2 HA PRO 2 -22.913 -11.887 -15.694 7 HB2 PRO 2 2HB PRO 2 -23.987 -14.439 -14.850 8 HB3 PRO 2 3HB PRO 2 -24.803 -13.132 -15.706 9 HG2 PRO 2 2HG PRO 2 -24.252 -15.554 -16.830 10 HG3 PRO 2 3HG PRO 2 -24.393 -14.052 -17.761 11 HD2 PRO 2 2HD PRO 2 -21.927 -15.479 -16.827 12 HD3 PRO 2 3HD PRO 2 -22.256 -14.703 -18.392 13 H LEU 3 HN LEU 3 -20.155 -13.138 -15.215 14 HA LEU 3 HA LEU 3 -20.345 -14.230 -12.558 15 HB2 LEU 3 2HB LEU 3 -17.947 -13.393 -14.190 16 HB3 LEU 3 3HB LEU 3 -17.860 -14.187 -12.628 17 HG LEU 3 HG LEU 3 -19.053 -15.380 -15.137 18 HD11 LEU 3 1HD1 LEU 3 -17.119 -16.854 -15.108 19 HD12 LEU 3 2HD1 LEU 3 -16.618 -15.167 -15.242 20 HD13 LEU 3 3HD1 LEU 3 -16.479 -16.009 -13.697 21 HD21 LEU 3 3HD2 LEU 3 -18.581 -16.598 -12.415 22 HD22 LEU 3 1HD2 LEU 3 -20.151 -16.171 -13.093 23 HD23 LEU 3 2HD2 LEU 3 -19.185 -17.443 -13.840 24 H GLY 4 HN GLY 4 -21.448 -12.500 -11.555 25 HA2 GLY 4 2HA GLY 4 -19.605 -10.567 -10.399 26 HA3 GLY 4 3HA GLY 4 -20.966 -9.891 -11.287 27 H SER 5 HN SER 5 -20.669 -12.691 -9.154 28 HA SER 5 HA SER 5 -23.190 -12.262 -7.939 29 HB2 SER 5 2HB SER 5 -22.180 -14.052 -6.317 30 HB3 SER 5 3HB SER 5 -22.512 -14.490 -7.995 31 HG SER 5 HG SER 5 -20.267 -14.844 -6.861 32 H MET 6 HN MET 6 -19.928 -12.168 -6.499 33 HA MET 6 HA MET 6 -20.974 -10.531 -4.323 34 HB2 MET 6 2HB MET 6 -18.347 -11.959 -4.722 35 HB3 MET 6 3HB MET 6 -18.635 -10.857 -3.382 36 HG2 MET 6 2HG MET 6 -20.143 -13.395 -3.965 37 HG3 MET 6 3HG MET 6 -18.961 -13.142 -2.681 38 HE1 MET 6 3HE MET 6 -22.342 -13.442 -0.716 39 HE2 MET 6 1HE MET 6 -21.902 -14.317 -2.182 40 HE3 MET 6 2HE MET 6 -20.709 -14.076 -0.905 41 H LYS 7 HN LYS 7 -19.021 -8.961 -3.545 42 HA LYS 7 HA LYS 7 -18.450 -7.248 -5.869 43 HB2 LYS 7 2HB LYS 7 -19.356 -6.549 -3.088 44 HB3 LYS 7 3HB LYS 7 -18.503 -5.380 -4.083 45 HG2 LYS 7 2HG LYS 7 -21.037 -6.757 -4.931 46 HG3 LYS 7 3HG LYS 7 -20.990 -5.191 -4.118 47 HD2 LYS 7 2HD LYS 7 -19.546 -4.343 -5.957 48 HD3 LYS 7 3HD LYS 7 -19.765 -5.886 -6.786 49 HE2 LYS 7 2HE LYS 7 -22.159 -5.514 -6.901 50 HE3 LYS 7 3HE LYS 7 -21.991 -4.013 -5.993 51 HZ1 LYS 7 3HZ LYS 7 -20.641 -3.124 -7.813 52 HZ2 LYS 7 1HZ LYS 7 -22.193 -3.562 -8.337 53 HZ3 LYS 7 2HZ LYS 7 -20.867 -4.559 -8.690 54 H MET 8 HN MET 8 -16.416 -6.401 -6.024 55 HA MET 8 HA MET 8 -14.504 -7.263 -3.987 56 HB2 MET 8 2HB MET 8 -14.158 -6.428 -6.853 57 HB3 MET 8 3HB MET 8 -12.801 -6.383 -5.736 58 HG2 MET 8 2HG MET 8 -13.353 -8.823 -5.238 59 HG3 MET 8 3HG MET 8 -14.365 -8.757 -6.681 60 HE1 MET 8 3HE MET 8 -11.681 -7.832 -9.432 61 HE2 MET 8 1HE MET 8 -13.378 -8.221 -9.149 62 HE3 MET 8 2HE MET 8 -12.695 -6.736 -8.493 63 H ILE 9 HN ILE 9 -13.322 -5.901 -2.847 64 HA ILE 9 HA ILE 9 -13.986 -3.039 -3.032 65 HB ILE 9 HB ILE 9 -12.804 -4.639 -0.759 66 HG12 ILE 9 2HG1 ILE 9 -15.542 -3.439 -1.153 67 HG13 ILE 9 3HG1 ILE 9 -15.136 -5.145 -1.003 68 HG21 ILE 9 1HG2 ILE 9 -12.048 -2.228 -0.966 69 HG22 ILE 9 2HG2 ILE 9 -13.708 -1.790 -0.562 70 HG23 ILE 9 3HG2 ILE 9 -12.738 -2.736 0.581 71 HD11 ILE 9 3HD1 ILE 9 -16.102 -4.389 1.048 72 HD12 ILE 9 1HD1 ILE 9 -14.387 -4.715 1.318 73 HD13 ILE 9 2HD1 ILE 9 -14.954 -3.051 1.149 74 H GLU 10 HN GLU 10 -12.423 -1.864 -4.007 75 HA GLU 10 HA GLU 10 -9.851 -3.161 -4.425 76 HB2 GLU 10 2HB GLU 10 -11.339 -0.964 -5.783 77 HB3 GLU 10 3HB GLU 10 -9.583 -0.899 -5.826 78 HG2 GLU 10 2HG GLU 10 -11.172 -3.292 -6.705 79 HG3 GLU 10 3HG GLU 10 -10.666 -2.001 -7.793 80 H VAL 11 HN VAL 11 -8.091 -2.613 -3.357 81 HA VAL 11 HA VAL 11 -8.062 -0.039 -1.972 82 HB VAL 11 HB VAL 11 -7.181 -2.675 -0.768 83 HG11 VAL 11 1HG1 VAL 11 -6.638 -1.367 1.227 84 HG12 VAL 11 2HG1 VAL 11 -5.670 -0.865 -0.159 85 HG13 VAL 11 3HG1 VAL 11 -7.043 0.116 0.361 86 HG21 VAL 11 3HG2 VAL 11 -9.592 -2.401 -0.698 87 HG22 VAL 11 1HG2 VAL 11 -8.910 -2.226 0.919 88 HG23 VAL 11 2HG2 VAL 11 -9.408 -0.797 0.011 89 H VAL 12 HN VAL 12 -6.417 1.049 -2.670 90 HA VAL 12 HA VAL 12 -4.215 -0.384 -3.948 91 HB VAL 12 HB VAL 12 -3.586 1.970 -4.760 92 HG11 VAL 12 1HG1 VAL 12 -6.166 0.690 -5.666 93 HG12 VAL 12 2HG1 VAL 12 -5.242 1.872 -6.592 94 HG13 VAL 12 3HG1 VAL 12 -4.545 0.292 -6.230 95 HG21 VAL 12 3HG2 VAL 12 -5.488 3.562 -4.861 96 HG22 VAL 12 1HG2 VAL 12 -6.400 2.498 -3.792 97 HG23 VAL 12 2HG2 VAL 12 -4.926 3.271 -3.214 98 H ALA 13 HN ALA 13 -2.189 -0.333 -3.166 99 HA ALA 13 HA ALA 13 -1.789 1.187 -0.684 100 HB1 ALA 13 1HB ALA 13 -0.333 -0.607 0.076 101 HB2 ALA 13 2HB ALA 13 -1.933 -1.247 -0.301 102 HB3 ALA 13 3HB ALA 13 -0.598 -1.491 -1.428 103 H ALA 14 HN ALA 14 -0.168 2.592 -0.735 104 HA ALA 14 HA ALA 14 1.606 2.530 -3.069 105 HB1 ALA 14 1HB ALA 14 0.425 4.607 -2.880 106 HB2 ALA 14 2HB ALA 14 0.890 4.771 -1.188 107 HB3 ALA 14 3HB ALA 14 2.110 4.891 -2.454 108 H ILE 15 HN ILE 15 3.492 1.632 -2.722 109 HA ILE 15 HA ILE 15 4.572 1.531 -0.034 110 HB ILE 15 HB ILE 15 5.500 0.330 -2.646 111 HG12 ILE 15 2HG1 ILE 15 4.147 -0.737 -0.178 112 HG13 ILE 15 3HG1 ILE 15 3.642 -0.885 -1.859 113 HG21 ILE 15 1HG2 ILE 15 6.727 -0.048 0.070 114 HG22 ILE 15 2HG2 ILE 15 7.262 -0.780 -1.442 115 HG23 ILE 15 3HG2 ILE 15 7.408 0.963 -1.204 116 HD11 ILE 15 3HD1 ILE 15 6.069 -2.207 -0.674 117 HD12 ILE 15 1HD1 ILE 15 4.488 -2.987 -0.887 118 HD13 ILE 15 2HD1 ILE 15 5.406 -2.454 -2.302 119 H ILE 16 HN ILE 16 5.444 3.447 0.569 120 HA ILE 16 HA ILE 16 6.626 5.187 -1.399 121 HB ILE 16 HB ILE 16 6.860 5.631 1.555 122 HG12 ILE 16 2HG1 ILE 16 4.480 4.875 1.024 123 HG13 ILE 16 3HG1 ILE 16 4.650 6.434 1.816 124 HG21 ILE 16 1HG2 ILE 16 6.381 7.472 -0.786 125 HG22 ILE 16 2HG2 ILE 16 6.526 7.986 0.894 126 HG23 ILE 16 3HG2 ILE 16 7.900 7.239 0.079 127 HD11 ILE 16 3HD1 ILE 16 4.329 7.548 -0.325 128 HD12 ILE 16 1HD1 ILE 16 4.135 5.979 -1.110 129 HD13 ILE 16 2HD1 ILE 16 2.967 6.515 0.101 130 H GLU 17 HN GLU 17 8.566 4.401 -2.099 131 HA GLU 17 HA GLU 17 10.470 3.554 -0.027 132 HB2 GLU 17 2HB GLU 17 9.929 1.738 -1.608 133 HB3 GLU 17 3HB GLU 17 10.440 2.759 -2.947 134 HG2 GLU 17 2HG GLU 17 12.653 2.859 -1.436 135 HG3 GLU 17 3HG GLU 17 12.043 1.271 -0.971 136 H ARG 18 HN ARG 18 11.721 5.174 0.418 137 HA ARG 18 HA ARG 18 12.937 6.664 -1.808 138 HB2 ARG 18 2HB ARG 18 11.083 7.903 -0.444 139 HB3 ARG 18 3HB ARG 18 12.312 8.003 0.809 140 HG2 ARG 18 2HG ARG 18 12.361 10.031 -0.432 141 HG3 ARG 18 3HG ARG 18 13.810 9.110 -0.847 142 HD2 ARG 18 2HD ARG 18 12.689 8.298 -2.880 143 HD3 ARG 18 3HD ARG 18 11.272 9.266 -2.474 144 HE ARG 18 HE ARG 18 13.925 10.449 -3.016 145 HH11 ARG 18 2HH1 ARG 18 10.444 10.403 -3.432 146 HH12 ARG 18 1HH1 ARG 18 10.410 11.843 -4.406 147 HH21 ARG 18 2HH2 ARG 18 13.887 12.323 -4.317 148 HH22 ARG 18 1HH2 ARG 18 12.368 12.927 -4.909 149 H ASP 19 HN ASP 19 15.083 6.751 -1.702 150 HA ASP 19 HA ASP 19 17.222 6.470 -1.000 151 HB2 ASP 19 2HB ASP 19 16.104 6.891 1.786 152 HB3 ASP 19 3HB ASP 19 17.803 6.965 1.332 153 H GLY 20 HN GLY 20 15.112 4.232 -0.943 154 HA2 GLY 20 2HA GLY 20 15.550 1.929 -0.852 155 HA3 GLY 20 3HA GLY 20 16.906 2.245 0.218 156 H LYS 21 HN LYS 21 14.308 4.006 1.326 157 HA LYS 21 HA LYS 21 13.611 1.863 3.233 158 HB2 LYS 21 2HB LYS 21 13.268 4.812 3.720 159 HB3 LYS 21 3HB LYS 21 13.268 3.516 4.899 160 HG2 LYS 21 2HG LYS 21 15.711 3.868 3.290 161 HG3 LYS 21 3HG LYS 21 15.359 5.102 4.498 162 HD2 LYS 21 2HD LYS 21 15.883 3.734 6.183 163 HD3 LYS 21 3HD LYS 21 15.014 2.373 5.468 164 HE2 LYS 21 2HE LYS 21 16.842 1.699 4.211 165 HE3 LYS 21 3HE LYS 21 17.613 3.277 4.303 166 HZ1 LYS 21 3HZ LYS 21 18.143 2.900 6.592 167 HZ2 LYS 21 1HZ LYS 21 18.698 1.575 5.688 168 HZ3 LYS 21 2HZ LYS 21 17.279 1.439 6.608 169 H ILE 22 HN ILE 22 11.488 1.487 3.729 170 HA ILE 22 HA ILE 22 9.530 2.665 1.887 171 HB ILE 22 HB ILE 22 9.283 0.125 3.512 172 HG12 ILE 22 2HG1 ILE 22 9.968 0.500 0.590 173 HG13 ILE 22 3HG1 ILE 22 11.071 -0.060 1.843 174 HG21 ILE 22 1HG2 ILE 22 7.449 -0.334 1.811 175 HG22 ILE 22 2HG2 ILE 22 7.115 0.923 3.014 176 HG23 ILE 22 3HG2 ILE 22 7.580 1.376 1.374 177 HD11 ILE 22 3HD1 ILE 22 9.636 -2.028 2.185 178 HD12 ILE 22 1HD1 ILE 22 8.607 -1.478 0.858 179 HD13 ILE 22 2HD1 ILE 22 10.286 -1.922 0.548 180 H LEU 23 HN LEU 23 7.584 3.455 2.676 181 HA LEU 23 HA LEU 23 7.692 4.438 5.403 182 HB2 LEU 23 2HB LEU 23 7.198 5.978 3.573 183 HB3 LEU 23 3HB LEU 23 5.796 5.025 3.131 184 HG LEU 23 HG LEU 23 4.760 5.592 5.310 185 HD11 LEU 23 1HD1 LEU 23 6.827 5.978 6.567 186 HD12 LEU 23 2HD1 LEU 23 7.138 7.424 5.606 187 HD13 LEU 23 3HD1 LEU 23 5.733 7.358 6.672 188 HD21 LEU 23 3HD2 LEU 23 4.141 7.820 4.706 189 HD22 LEU 23 1HD2 LEU 23 5.616 8.033 3.764 190 HD23 LEU 23 2HD2 LEU 23 4.372 6.902 3.215 191 H LEU 24 HN LEU 24 6.741 3.468 6.986 192 HA LEU 24 HA LEU 24 4.295 1.886 6.476 193 HB2 LEU 24 2HB LEU 24 6.153 1.633 8.843 194 HB3 LEU 24 3HB LEU 24 4.712 0.691 8.566 195 HG LEU 24 HG LEU 24 5.840 -0.201 6.471 196 HD11 LEU 24 1HD1 LEU 24 8.276 0.984 7.785 197 HD12 LEU 24 2HD1 LEU 24 8.269 -0.108 6.400 198 HD13 LEU 24 3HD1 LEU 24 7.569 1.503 6.255 199 HD21 LEU 24 3HD2 LEU 24 5.598 -1.483 8.544 200 HD22 LEU 24 1HD2 LEU 24 7.109 -1.855 7.713 201 HD23 LEU 24 2HD2 LEU 24 7.117 -0.804 9.130 202 H ALA 25 HN ALA 25 2.472 2.338 7.633 203 HA ALA 25 HA ALA 25 2.636 4.675 9.414 204 HB1 ALA 25 1HB ALA 25 0.494 4.188 7.357 205 HB2 ALA 25 2HB ALA 25 0.653 5.599 8.415 206 HB3 ALA 25 3HB ALA 25 1.856 5.294 7.158 207 H GLN 26 HN GLN 26 1.866 4.301 11.339 208 HA GLN 26 HA GLN 26 0.500 1.864 11.963 209 HB2 GLN 26 2HB GLN 26 2.159 2.862 13.473 210 HB3 GLN 26 3HB GLN 26 1.104 4.248 13.716 211 HG2 GLN 26 2HG GLN 26 -0.559 2.821 14.765 212 HG3 GLN 26 3HG GLN 26 0.463 1.409 14.483 213 HE21 GLN 26 1HE2 GLN 26 0.041 4.319 16.336 214 HE22 GLN 26 2HE2 GLN 26 1.225 3.959 17.546 215 H ARG 27 HN ARG 27 -1.478 1.691 11.251 216 HA ARG 27 HA ARG 27 -3.755 2.455 12.425 217 HB2 ARG 27 2HB ARG 27 -3.169 4.842 11.958 218 HB3 ARG 27 3HB ARG 27 -3.168 4.489 10.243 219 HG2 ARG 27 2HG ARG 27 -5.628 4.069 11.907 220 HG3 ARG 27 3HG ARG 27 -5.207 5.659 11.269 221 HD2 ARG 27 2HD ARG 27 -4.970 4.330 9.017 222 HD3 ARG 27 3HD ARG 27 -6.033 3.185 9.828 223 HE ARG 27 HE ARG 27 -7.126 5.770 10.058 224 HH11 ARG 27 2HH1 ARG 27 -6.660 3.180 7.746 225 HH12 ARG 27 1HH1 ARG 27 -7.831 3.800 6.627 226 HH21 ARG 27 2HH2 ARG 27 -8.696 6.576 8.578 227 HH22 ARG 27 1HH2 ARG 27 -8.992 5.719 7.097 228 HA PRO 28 HA PRO 28 -4.223 -0.431 9.073 229 HB2 PRO 28 2HB PRO 28 -6.158 -1.924 10.100 230 HB3 PRO 28 3HB PRO 28 -4.582 -1.858 10.893 231 HG2 PRO 28 2HG PRO 28 -7.114 -0.432 11.598 232 HG3 PRO 28 3HG PRO 28 -5.952 -1.245 12.653 233 HD2 PRO 28 2HD PRO 28 -6.028 1.482 12.149 234 HD3 PRO 28 3HD PRO 28 -4.618 0.607 12.783 235 H ALA 29 HN ALA 29 -6.811 -1.523 8.575 236 HA ALA 29 HA ALA 29 -8.050 0.762 7.241 237 HB1 ALA 29 1HB ALA 29 -8.539 -2.185 6.859 238 HB2 ALA 29 2HB ALA 29 -9.233 -0.883 5.894 239 HB3 ALA 29 3HB ALA 29 -7.494 -1.175 5.864 240 H GLN 30 HN GLN 30 -9.782 -2.154 8.179 241 HA GLN 30 HA GLN 30 -11.455 -0.474 9.927 242 HB2 GLN 30 2HB GLN 30 -12.317 -2.832 8.239 243 HB3 GLN 30 3HB GLN 30 -13.358 -1.923 9.328 244 HG2 GLN 30 2HG GLN 30 -12.831 0.117 7.966 245 HG3 GLN 30 3HG GLN 30 -12.047 -0.954 6.806 246 HE21 GLN 30 1HE2 GLN 30 -13.317 -2.366 5.583 247 HE22 GLN 30 2HE2 GLN 30 -15.023 -2.146 5.412 248 H SER 31 HN SER 31 -9.081 -2.429 10.252 249 HA SER 31 HA SER 31 -9.986 -4.644 11.722 250 HB2 SER 31 2HB SER 31 -7.322 -3.226 11.939 251 HB3 SER 31 3HB SER 31 -7.671 -4.881 12.437 252 HG SER 31 HG SER 31 -7.137 -5.398 10.483 253 H ASP 32 HN ASP 32 -9.419 -1.330 12.617 254 HA ASP 32 HA ASP 32 -9.712 -0.141 14.524 255 HB2 ASP 32 2HB ASP 32 -11.319 -2.568 15.334 256 HB3 ASP 32 3HB ASP 32 -11.203 -1.112 16.313 257 H GLN 33 HN GLN 33 -7.420 -1.903 14.205 258 HA GLN 33 HA GLN 33 -6.789 -2.426 17.031 259 HB2 GLN 33 2HB GLN 33 -5.605 -3.754 14.586 260 HB3 GLN 33 3HB GLN 33 -5.246 -4.149 16.262 261 HG2 GLN 33 2HG GLN 33 -7.537 -4.873 16.601 262 HG3 GLN 33 3HG GLN 33 -7.932 -4.430 14.944 263 HE21 GLN 33 1HE2 GLN 33 -6.255 -6.704 16.975 264 HE22 GLN 33 2HE2 GLN 33 -5.991 -7.901 15.748 265 H ALA 34 HN ALA 34 -5.229 -1.254 17.900 266 HA ALA 34 HA ALA 34 -3.654 0.487 16.150 267 HB1 ALA 34 1HB ALA 34 -3.991 0.588 19.148 268 HB2 ALA 34 2HB ALA 34 -3.194 1.795 18.139 269 HB3 ALA 34 3HB ALA 34 -4.929 1.523 17.983 270 H GLY 35 HN GLY 35 -1.440 0.497 16.128 271 HA2 GLY 35 2HA GLY 35 0.662 -0.084 17.228 272 HA3 GLY 35 3HA GLY 35 -0.098 -1.584 17.735 273 H LEU 36 HN LEU 36 -1.386 -1.938 15.131 274 HA LEU 36 HA LEU 36 0.744 -3.230 13.739 275 HB2 LEU 36 2HB LEU 36 -2.094 -2.815 12.818 276 HB3 LEU 36 3HB LEU 36 -0.974 -4.057 12.290 277 HG LEU 36 HG LEU 36 -2.105 -3.861 15.083 278 HD11 LEU 36 1HD1 LEU 36 -2.903 -5.618 12.772 279 HD12 LEU 36 2HD1 LEU 36 -3.475 -5.788 14.433 280 HD13 LEU 36 3HD1 LEU 36 -3.868 -4.339 13.508 281 HD21 LEU 36 3HD2 LEU 36 0.064 -4.975 14.962 282 HD22 LEU 36 1HD2 LEU 36 -1.224 -6.121 15.334 283 HD23 LEU 36 2HD2 LEU 36 -0.553 -6.047 13.706 284 H TRP 37 HN TRP 37 1.318 -2.857 11.542 285 HA TRP 37 HA TRP 37 0.889 -0.083 10.637 286 HB2 TRP 37 2HB TRP 37 3.336 -1.809 10.158 287 HB3 TRP 37 3HB TRP 37 3.143 -0.119 9.700 288 HD1 TRP 37 1HD TRP 37 3.387 -2.267 12.917 289 HE1 TRP 37 1HE TRP 37 4.442 -0.825 14.762 290 HE3 TRP 37 3HE TRP 37 3.732 2.167 10.392 291 HZ2 TRP 37 2HZ TRP 37 5.308 1.826 15.108 292 HZ3 TRP 37 3HZ TRP 37 4.692 4.106 11.559 293 HH2 TRP 37 2HH TRP 37 5.464 3.938 13.868 294 H GLU 38 HN GLU 38 0.639 0.207 8.402 295 HA GLU 38 HA GLU 38 0.656 -2.094 6.637 296 HB2 GLU 38 2HB GLU 38 -1.826 -0.407 7.032 297 HB3 GLU 38 3HB GLU 38 -1.548 -1.365 5.597 298 HG2 GLU 38 2HG GLU 38 -1.519 -3.388 7.004 299 HG3 GLU 38 3HG GLU 38 -1.897 -2.383 8.402 300 H PHE 39 HN PHE 39 0.447 -1.310 4.314 301 HA PHE 39 HA PHE 39 2.104 1.013 3.987 302 HB2 PHE 39 2HB PHE 39 0.650 -0.695 1.948 303 HB3 PHE 39 3HB PHE 39 1.739 0.623 1.533 304 HD1 PHE 39 1HD PHE 39 4.115 0.429 2.710 305 HD2 PHE 39 2HD PHE 39 1.467 -2.794 1.910 306 HE1 PHE 39 1HE PHE 39 5.997 -1.130 2.768 307 HE2 PHE 39 2HE PHE 39 3.341 -4.356 1.968 308 HZ PHE 39 HZ PHE 39 5.626 -3.537 2.400 309 H ALA 40 HN ALA 40 1.531 3.024 3.164 310 HA ALA 40 HA ALA 40 -1.099 3.889 3.838 311 HB1 ALA 40 1HB ALA 40 1.080 5.374 2.378 312 HB2 ALA 40 2HB ALA 40 -0.381 6.087 3.069 313 HB3 ALA 40 3HB ALA 40 0.829 5.353 4.124 314 H GLY 41 HN GLY 41 -2.628 4.896 2.393 315 HA2 GLY 41 2HA GLY 41 -2.785 5.021 -0.265 316 HA3 GLY 41 3HA GLY 41 -2.909 3.286 0.008 317 H GLY 42 HN GLY 42 -5.002 2.799 -0.319 318 HA2 GLY 42 2HA GLY 42 -6.962 3.257 1.515 319 HA3 GLY 42 3HA GLY 42 -7.082 4.651 0.456 320 H LYS 43 HN LYS 43 -9.118 4.104 -0.208 321 HA LYS 43 HA LYS 43 -9.443 1.491 -1.528 322 HB2 LYS 43 2HB LYS 43 -10.933 1.769 0.353 323 HB3 LYS 43 3HB LYS 43 -11.493 3.318 -0.258 324 HG2 LYS 43 2HG LYS 43 -12.448 2.103 -2.214 325 HG3 LYS 43 3HG LYS 43 -12.006 0.590 -1.418 326 HD2 LYS 43 2HD LYS 43 -13.374 1.256 0.533 327 HD3 LYS 43 3HD LYS 43 -13.865 2.708 -0.342 328 HE2 LYS 43 2HE LYS 43 -14.868 1.299 -2.089 329 HE3 LYS 43 3HE LYS 43 -14.400 -0.142 -1.183 330 HZ1 LYS 43 3HZ LYS 43 -15.760 0.818 0.698 331 HZ2 LYS 43 1HZ LYS 43 -16.635 0.267 -0.645 332 HZ3 LYS 43 2HZ LYS 43 -16.385 1.925 -0.428 333 H VAL 44 HN VAL 44 -10.522 1.365 -3.519 334 HA VAL 44 HA VAL 44 -10.420 3.866 -5.073 335 HB VAL 44 HB VAL 44 -10.387 1.034 -6.141 336 HG11 VAL 44 1HG1 VAL 44 -11.278 2.688 -7.700 337 HG12 VAL 44 2HG1 VAL 44 -9.832 3.677 -7.488 338 HG13 VAL 44 3HG1 VAL 44 -9.711 2.088 -8.242 339 HG21 VAL 44 3HG2 VAL 44 -8.361 1.484 -4.853 340 HG22 VAL 44 1HG2 VAL 44 -8.013 1.368 -6.579 341 HG23 VAL 44 2HG2 VAL 44 -8.084 2.947 -5.797 342 H GLU 45 HN GLU 45 -12.392 4.719 -5.197 343 HA GLU 45 HA GLU 45 -14.693 2.930 -5.298 344 HB2 GLU 45 2HB GLU 45 -14.542 5.940 -5.010 345 HB3 GLU 45 3HB GLU 45 -16.026 4.988 -4.952 346 HG2 GLU 45 2HG GLU 45 -15.013 3.717 -3.035 347 HG3 GLU 45 3HG GLU 45 -13.716 4.908 -3.028 348 HA PRO 46 HA PRO 46 -15.148 2.843 -9.526 349 HB2 PRO 46 2HB PRO 46 -17.827 3.002 -9.965 350 HB3 PRO 46 3HB PRO 46 -17.041 1.599 -9.232 351 HG2 PRO 46 2HG PRO 46 -18.484 3.868 -7.914 352 HG3 PRO 46 3HG PRO 46 -18.576 2.129 -7.569 353 HD2 PRO 46 2HD PRO 46 -17.100 3.807 -6.061 354 HD3 PRO 46 3HD PRO 46 -16.606 2.132 -6.367 355 H ASP 47 HN ASP 47 -15.215 5.760 -8.316 356 HA ASP 47 HA ASP 47 -15.998 6.975 -10.883 357 HB2 ASP 47 2HB ASP 47 -17.346 7.680 -8.851 358 HB3 ASP 47 3HB ASP 47 -15.881 8.450 -8.250 359 H GLU 48 HN GLU 48 -13.392 6.063 -9.111 360 HA GLU 48 HA GLU 48 -11.757 8.225 -10.255 361 HB2 GLU 48 2HB GLU 48 -10.314 8.203 -8.308 362 HB3 GLU 48 3HB GLU 48 -11.971 8.539 -7.830 363 HG2 GLU 48 2HG GLU 48 -12.189 6.129 -7.199 364 HG3 GLU 48 3HG GLU 48 -10.458 5.962 -7.500 365 H SER 49 HN SER 49 -9.444 7.643 -10.448 366 HA SER 49 HA SER 49 -9.208 5.035 -11.694 367 HB2 SER 49 2HB SER 49 -8.372 6.936 -12.943 368 HB3 SER 49 3HB SER 49 -7.351 7.423 -11.594 369 HG SER 49 HG SER 49 -6.796 5.735 -13.584 370 H GLN 50 HN GLN 50 -7.443 3.572 -11.231 371 HA GLN 50 HA GLN 50 -7.030 3.062 -8.500 372 HB2 GLN 50 2HB GLN 50 -5.556 2.094 -10.950 373 HB3 GLN 50 3HB GLN 50 -5.224 1.492 -9.333 374 HG2 GLN 50 2HG GLN 50 -7.360 0.521 -9.149 375 HG3 GLN 50 3HG GLN 50 -7.950 1.379 -10.570 376 HE21 GLN 50 1HE2 GLN 50 -7.328 0.689 -12.614 377 HE22 GLN 50 2HE2 GLN 50 -6.676 -0.897 -12.889 378 H ARG 51 HN ARG 51 -4.855 4.487 -10.929 379 HA ARG 51 HA ARG 51 -2.701 4.934 -9.131 380 HB2 ARG 51 2HB ARG 51 -3.361 6.435 -11.673 381 HB3 ARG 51 3HB ARG 51 -1.816 6.446 -10.839 382 HG2 ARG 51 2HG ARG 51 -1.537 4.067 -11.298 383 HG3 ARG 51 3HG ARG 51 -3.092 4.047 -12.133 384 HD2 ARG 51 2HD ARG 51 -0.707 5.719 -12.916 385 HD3 ARG 51 3HD ARG 51 -1.187 4.210 -13.687 386 HE ARG 51 HE ARG 51 -3.387 5.904 -13.765 387 HH11 ARG 51 2HH1 ARG 51 -0.147 5.754 -15.097 388 HH12 ARG 51 1HH1 ARG 51 -0.549 6.712 -16.490 389 HH21 ARG 51 2HH2 ARG 51 -3.909 7.177 -15.601 390 HH22 ARG 51 1HH2 ARG 51 -2.672 7.523 -16.777 391 H GLN 52 HN GLN 52 -5.459 6.836 -10.152 392 HA GLN 52 HA GLN 52 -4.570 9.267 -8.973 393 HB2 GLN 52 2HB GLN 52 -6.121 9.328 -10.822 394 HB3 GLN 52 3HB GLN 52 -7.287 8.359 -9.936 395 HG2 GLN 52 2HG GLN 52 -8.095 10.114 -8.825 396 HG3 GLN 52 3HG GLN 52 -6.503 10.835 -8.590 397 HE21 GLN 52 1HE2 GLN 52 -5.831 10.856 -11.393 398 HE22 GLN 52 2HE2 GLN 52 -6.785 12.114 -12.117 399 H ALA 53 HN ALA 53 -6.502 6.549 -7.927 400 HA ALA 53 HA ALA 53 -7.548 7.598 -5.553 401 HB1 ALA 53 1HB ALA 53 -7.743 5.283 -4.802 402 HB2 ALA 53 2HB ALA 53 -8.264 5.449 -6.480 403 HB3 ALA 53 3HB ALA 53 -6.682 4.761 -6.111 404 H LEU 54 HN LEU 54 -4.465 5.879 -6.157 405 HA LEU 54 HA LEU 54 -3.514 6.046 -3.513 406 HB2 LEU 54 2HB LEU 54 -2.233 5.658 -6.189 407 HB3 LEU 54 3HB LEU 54 -1.222 5.957 -4.791 408 HG LEU 54 HG LEU 54 -3.141 3.661 -5.148 409 HD11 LEU 54 1HD1 LEU 54 -1.132 3.381 -6.453 410 HD12 LEU 54 2HD1 LEU 54 -0.131 3.812 -5.066 411 HD13 LEU 54 3HD1 LEU 54 -1.065 2.316 -5.047 412 HD21 LEU 54 3HD2 LEU 54 -3.172 4.285 -2.852 413 HD22 LEU 54 1HD2 LEU 54 -2.116 2.877 -2.998 414 HD23 LEU 54 2HD2 LEU 54 -1.423 4.488 -2.821 415 H VAL 55 HN VAL 55 -3.093 8.100 -6.329 416 HA VAL 55 HA VAL 55 -1.307 9.948 -5.255 417 HB VAL 55 HB VAL 55 -3.452 10.343 -7.351 418 HG11 VAL 55 1HG1 VAL 55 -2.811 12.496 -6.397 419 HG12 VAL 55 2HG1 VAL 55 -1.108 12.119 -6.661 420 HG13 VAL 55 3HG1 VAL 55 -2.188 12.329 -8.040 421 HG21 VAL 55 3HG2 VAL 55 -0.501 9.750 -7.536 422 HG22 VAL 55 1HG2 VAL 55 -1.830 8.675 -7.969 423 HG23 VAL 55 2HG2 VAL 55 -1.539 10.139 -8.908 424 H ARG 56 HN ARG 56 -4.859 9.965 -5.259 425 HA ARG 56 HA ARG 56 -4.936 12.451 -3.833 426 HB2 ARG 56 2HB ARG 56 -7.336 12.233 -3.786 427 HB3 ARG 56 3HB ARG 56 -6.730 11.858 -5.387 428 HG2 ARG 56 2HG ARG 56 -8.173 10.151 -5.233 429 HG3 ARG 56 3HG ARG 56 -6.860 9.380 -4.342 430 HD2 ARG 56 2HD ARG 56 -7.839 9.986 -2.247 431 HD3 ARG 56 3HD ARG 56 -9.041 11.001 -3.040 432 HE ARG 56 HE ARG 56 -9.480 8.525 -4.098 433 HH11 ARG 56 2HH1 ARG 56 -9.349 9.851 -0.854 434 HH12 ARG 56 1HH1 ARG 56 -10.388 8.637 -0.181 435 HH21 ARG 56 2HH2 ARG 56 -10.903 6.956 -3.235 436 HH22 ARG 56 1HH2 ARG 56 -11.275 6.990 -1.535 437 H GLU 57 HN GLU 57 -5.370 9.048 -2.875 438 HA GLU 57 HA GLU 57 -6.113 9.516 -0.220 439 HB2 GLU 57 2HB GLU 57 -4.603 7.234 -1.484 440 HB3 GLU 57 3HB GLU 57 -5.019 7.243 0.223 441 HG2 GLU 57 2HG GLU 57 -7.086 7.575 -1.926 442 HG3 GLU 57 3HG GLU 57 -6.565 5.993 -1.357 443 H LEU 58 HN LEU 58 -2.831 9.166 -1.591 444 HA LEU 58 HA LEU 58 -1.523 9.562 0.913 445 HB2 LEU 58 2HB LEU 58 -0.357 10.237 -1.773 446 HB3 LEU 58 3HB LEU 58 0.502 9.823 -0.306 447 HG LEU 58 HG LEU 58 -1.117 7.973 -2.042 448 HD11 LEU 58 1HD1 LEU 58 1.113 8.538 -2.859 449 HD12 LEU 58 2HD1 LEU 58 1.803 8.016 -1.321 450 HD13 LEU 58 3HD1 LEU 58 1.002 6.848 -2.371 451 HD21 LEU 58 3HD2 LEU 58 -1.487 7.423 0.304 452 HD22 LEU 58 1HD2 LEU 58 -0.502 6.198 -0.492 453 HD23 LEU 58 2HD2 LEU 58 0.255 7.380 0.576 454 H ARG 59 HN ARG 59 -2.592 11.683 -1.659 455 HA ARG 59 HA ARG 59 -1.524 14.090 -0.772 456 HB2 ARG 59 2HB ARG 59 -2.513 13.962 -2.917 457 HB3 ARG 59 3HB ARG 59 -4.031 13.372 -2.269 458 HG2 ARG 59 2HG ARG 59 -4.360 15.606 -1.212 459 HG3 ARG 59 3HG ARG 59 -2.928 16.160 -2.089 460 HD2 ARG 59 2HD ARG 59 -4.694 14.730 -3.838 461 HD3 ARG 59 3HD ARG 59 -5.571 16.036 -3.034 462 HE ARG 59 HE ARG 59 -3.082 16.924 -4.112 463 HH11 ARG 59 2HH1 ARG 59 -6.396 16.152 -4.931 464 HH12 ARG 59 1HH1 ARG 59 -6.408 17.111 -6.382 465 HH21 ARG 59 2HH2 ARG 59 -3.079 18.193 -6.015 466 HH22 ARG 59 1HH2 ARG 59 -4.524 18.292 -6.983 467 H GLU 60 HN GLU 60 -4.379 12.324 0.302 468 HA GLU 60 HA GLU 60 -5.191 14.520 1.999 469 HB2 GLU 60 2HB GLU 60 -6.403 11.756 1.793 470 HB3 GLU 60 3HB GLU 60 -7.127 13.163 2.564 471 HG2 GLU 60 2HG GLU 60 -6.994 14.274 0.283 472 HG3 GLU 60 3HG GLU 60 -6.655 12.672 -0.352 473 H GLU 61 HN GLU 61 -3.789 11.280 2.409 474 HA GLU 61 HA GLU 61 -3.834 11.613 5.293 475 HB2 GLU 61 2HB GLU 61 -2.868 9.355 3.554 476 HB3 GLU 61 3HB GLU 61 -2.606 9.403 5.294 477 HG2 GLU 61 2HG GLU 61 -5.355 9.886 4.746 478 HG3 GLU 61 3HG GLU 61 -4.814 8.412 3.931 479 H LEU 62 HN LEU 62 -1.389 11.340 2.725 480 HA LEU 62 HA LEU 62 0.696 11.710 4.747 481 HB2 LEU 62 2HB LEU 62 1.008 10.977 1.843 482 HB3 LEU 62 3HB LEU 62 2.253 10.933 3.074 483 HG LEU 62 HG LEU 62 -0.172 9.138 2.912 484 HD11 LEU 62 1HD1 LEU 62 2.775 8.600 2.566 485 HD12 LEU 62 2HD1 LEU 62 1.495 7.388 2.539 486 HD13 LEU 62 3HD1 LEU 62 1.563 8.626 1.284 487 HD21 LEU 62 3HD2 LEU 62 2.057 9.210 4.949 488 HD22 LEU 62 1HD2 LEU 62 0.363 9.598 5.240 489 HD23 LEU 62 2HD2 LEU 62 0.830 7.952 4.818 490 H GLY 63 HN GLY 63 -1.113 13.785 3.123 491 HA2 GLY 63 2HA GLY 63 -0.864 15.813 2.121 492 HA3 GLY 63 3HA GLY 63 0.502 15.970 3.207 493 H ILE 64 HN ILE 64 0.467 13.568 0.623 494 HA ILE 64 HA ILE 64 2.266 15.319 -0.899 495 HB ILE 64 HB ILE 64 3.719 13.448 -1.501 496 HG12 ILE 64 2HG1 ILE 64 2.238 11.855 0.607 497 HG13 ILE 64 3HG1 ILE 64 2.088 11.608 -1.129 498 HG21 ILE 64 1HG2 ILE 64 4.895 13.245 0.630 499 HG22 ILE 64 2HG2 ILE 64 4.379 14.897 0.292 500 HG23 ILE 64 3HG2 ILE 64 3.489 13.917 1.455 501 HD11 ILE 64 3HD1 ILE 64 3.598 9.976 -0.162 502 HD12 ILE 64 1HD1 ILE 64 4.472 11.057 -1.253 503 HD13 ILE 64 2HD1 ILE 64 4.599 11.273 0.492 504 H GLU 65 HN GLU 65 2.009 15.370 -2.996 505 HA GLU 65 HA GLU 65 -0.143 13.784 -4.177 506 HB2 GLU 65 2HB GLU 65 1.466 15.956 -5.534 507 HB3 GLU 65 3HB GLU 65 -0.126 15.355 -5.968 508 HG2 GLU 65 2HG GLU 65 -1.033 16.288 -3.886 509 HG3 GLU 65 3HG GLU 65 0.558 16.931 -3.495 510 H ALA 66 HN ALA 66 0.675 11.802 -4.539 511 HA ALA 66 HA ALA 66 3.415 11.404 -5.369 512 HB1 ALA 66 1HB ALA 66 2.992 9.065 -4.987 513 HB2 ALA 66 2HB ALA 66 2.362 10.004 -3.634 514 HB3 ALA 66 3HB ALA 66 1.259 9.368 -4.855 515 H THR 67 HN THR 67 3.972 9.932 -7.142 516 HA THR 67 HA THR 67 1.967 9.937 -9.286 517 HB THR 67 HB THR 67 3.964 11.348 -9.843 518 HG1 THR 67 1HG THR 67 3.906 10.624 -11.904 519 HG21 THR 67 3HG2 THR 67 5.391 8.688 -9.778 520 HG22 THR 67 1HG2 THR 67 5.677 10.045 -8.688 521 HG23 THR 67 2HG2 THR 67 6.063 10.196 -10.403 522 H VAL 68 HN VAL 68 1.709 8.014 -10.412 523 HA VAL 68 HA VAL 68 2.831 5.668 -9.039 524 HB VAL 68 HB VAL 68 0.271 5.855 -10.642 525 HG11 VAL 68 1HG1 VAL 68 -0.201 3.627 -9.750 526 HG12 VAL 68 2HG1 VAL 68 1.271 3.640 -10.723 527 HG13 VAL 68 3HG1 VAL 68 1.377 3.609 -8.962 528 HG21 VAL 68 3HG2 VAL 68 0.686 5.716 -7.656 529 HG22 VAL 68 1HG2 VAL 68 0.088 7.103 -8.569 530 HG23 VAL 68 2HG2 VAL 68 -0.871 5.626 -8.482 531 H GLY 69 HN GLY 69 4.281 4.472 -10.205 532 HA2 GLY 69 2HA GLY 69 4.004 4.200 -13.045 533 HA3 GLY 69 3HA GLY 69 5.285 5.302 -12.605 534 H GLU 70 HN GLU 70 4.171 2.057 -11.508 535 HA GLU 70 HA GLU 70 5.945 0.397 -12.455 536 HB2 GLU 70 2HB GLU 70 7.797 0.102 -10.848 537 HB3 GLU 70 3HB GLU 70 7.893 1.615 -11.733 538 HG2 GLU 70 2HG GLU 70 7.020 2.795 -9.770 539 HG3 GLU 70 3HG GLU 70 6.972 1.264 -8.892 540 H TYR 71 HN TYR 71 4.688 -1.252 -12.105 541 HA TYR 71 HA TYR 71 3.123 -1.510 -9.709 542 HB2 TYR 71 2HB TYR 71 2.239 -2.025 -11.951 543 HB3 TYR 71 3HB TYR 71 3.402 -3.333 -12.102 544 HD1 TYR 71 1HD TYR 71 0.549 -2.187 -9.996 545 HD2 TYR 71 2HD TYR 71 2.825 -5.475 -11.444 546 HE1 TYR 71 1HE TYR 71 -1.093 -3.741 -9.033 547 HE2 TYR 71 2HE TYR 71 1.194 -7.034 -10.477 548 HH TYR 71 HH TYR 71 -0.506 -7.124 -8.812 549 H VAL 72 HN VAL 72 3.509 -2.756 -7.964 550 HA VAL 72 HA VAL 72 5.926 -4.408 -7.982 551 HB VAL 72 HB VAL 72 4.168 -3.571 -5.671 552 HG11 VAL 72 1HG1 VAL 72 6.856 -4.942 -5.661 553 HG12 VAL 72 2HG1 VAL 72 5.975 -4.378 -4.241 554 HG13 VAL 72 3HG1 VAL 72 5.313 -5.683 -5.229 555 HG21 VAL 72 3HG2 VAL 72 6.865 -2.544 -6.545 556 HG22 VAL 72 1HG2 VAL 72 5.330 -1.688 -6.699 557 HG23 VAL 72 2HG2 VAL 72 5.986 -2.044 -5.101 558 H ALA 73 HN ALA 73 2.797 -4.798 -6.295 559 HA ALA 73 HA ALA 73 2.292 -7.331 -7.594 560 HB1 ALA 73 1HB ALA 73 2.433 -8.707 -5.580 561 HB2 ALA 73 2HB ALA 73 3.999 -8.006 -5.985 562 HB3 ALA 73 3HB ALA 73 3.041 -7.325 -4.671 563 H SER 74 HN SER 74 0.464 -8.515 -6.211 564 HA SER 74 HA SER 74 -1.321 -6.569 -4.966 565 HB2 SER 74 2HB SER 74 -3.243 -7.565 -6.249 566 HB3 SER 74 3HB SER 74 -2.113 -6.648 -7.246 567 HG SER 74 HG SER 74 -1.102 -8.758 -7.687 568 H HIS 75 HN HIS 75 -2.873 -7.531 -3.547 569 HA HIS 75 HA HIS 75 -2.716 -10.417 -3.168 570 HB2 HIS 75 2HB HIS 75 -1.050 -9.445 -1.586 571 HB3 HIS 75 3HB HIS 75 -2.347 -8.518 -0.840 572 HD1 HIS 75 1HD HIS 75 -1.437 -12.162 -1.469 573 HD2 HIS 75 2HD HIS 75 -3.638 -9.821 1.163 574 HE1 HIS 75 1HE HIS 75 -2.232 -13.731 0.324 575 HE2 HIS 75 2HE HIS 75 -3.686 -12.324 1.829 576 H GLN 76 HN GLN 76 -4.562 -11.304 -2.304 577 HA GLN 76 HA GLN 76 -6.816 -9.429 -2.061 578 HB2 GLN 76 2HB GLN 76 -6.643 -12.223 -3.130 579 HB3 GLN 76 3HB GLN 76 -8.177 -11.565 -2.570 580 HG2 GLN 76 2HG GLN 76 -8.111 -9.824 -4.168 581 HG3 GLN 76 3HG GLN 76 -6.454 -10.219 -4.627 582 HE21 GLN 76 1HE2 GLN 76 -9.794 -11.153 -4.867 583 HE22 GLN 76 2HE2 GLN 76 -9.598 -12.282 -6.167 584 H ARG 77 HN ARG 77 -8.167 -9.513 -0.404 585 HA ARG 77 HA ARG 77 -8.055 -11.680 1.529 586 HB2 ARG 77 2HB ARG 77 -7.652 -10.302 3.443 587 HB3 ARG 77 3HB ARG 77 -6.379 -9.929 2.296 588 HG2 ARG 77 2HG ARG 77 -7.810 -7.926 1.610 589 HG3 ARG 77 3HG ARG 77 -8.749 -8.256 3.071 590 HD2 ARG 77 2HD ARG 77 -6.572 -8.149 4.356 591 HD3 ARG 77 3HD ARG 77 -5.817 -7.577 2.878 592 HE ARG 77 HE ARG 77 -8.042 -5.949 3.523 593 HH11 ARG 77 2HH1 ARG 77 -4.712 -6.543 4.499 594 HH12 ARG 77 1HH1 ARG 77 -4.482 -4.945 5.154 595 HH21 ARG 77 2HH2 ARG 77 -7.709 -3.845 4.408 596 HH22 ARG 77 1HH2 ARG 77 -6.162 -3.449 5.110 597 H GLU 78 HN GLU 78 -10.055 -11.516 2.963 598 HA GLU 78 HA GLU 78 -12.091 -10.055 1.416 599 HB2 GLU 78 2HB GLU 78 -13.645 -11.753 1.765 600 HB3 GLU 78 3HB GLU 78 -12.148 -12.633 1.494 601 HG2 GLU 78 2HG GLU 78 -11.883 -12.875 3.931 602 HG3 GLU 78 3HG GLU 78 -13.427 -12.051 4.151 603 H VAL 79 HN VAL 79 -13.785 -9.022 2.484 604 HA VAL 79 HA VAL 79 -13.493 -8.850 5.399 605 HB VAL 79 HB VAL 79 -12.892 -6.680 4.639 606 HG11 VAL 79 1HG1 VAL 79 -14.412 -5.324 3.190 607 HG12 VAL 79 2HG1 VAL 79 -13.629 -6.683 2.380 608 HG13 VAL 79 3HG1 VAL 79 -15.321 -6.802 2.873 609 HG21 VAL 79 3HG2 VAL 79 -14.645 -5.261 5.584 610 HG22 VAL 79 1HG2 VAL 79 -15.782 -6.607 5.493 611 HG23 VAL 79 2HG2 VAL 79 -14.383 -6.707 6.563 612 H SER 80 HN SER 80 -14.912 -10.405 5.867 613 HA SER 80 HA SER 80 -16.744 -11.754 5.777 614 HB2 SER 80 2HB SER 80 -17.941 -9.031 6.282 615 HB3 SER 80 3HB SER 80 -18.799 -10.556 6.527 616 HG SER 80 HG SER 80 -16.942 -11.136 7.914 617 H GLY 81 HN GLY 81 -16.456 -12.297 3.512 618 HA2 GLY 81 2HA GLY 81 -17.708 -13.047 1.723 619 HA3 GLY 81 3HA GLY 81 -18.969 -11.901 2.137 620 H ARG 82 HN ARG 82 -16.889 -9.683 2.112 621 HA ARG 82 HA ARG 82 -16.966 -9.279 -0.780 622 HB2 ARG 82 2HB ARG 82 -16.342 -7.420 1.514 623 HB3 ARG 82 3HB ARG 82 -16.202 -6.950 -0.174 624 HG2 ARG 82 2HG ARG 82 -18.580 -7.413 -0.484 625 HG3 ARG 82 3HG ARG 82 -18.717 -7.843 1.220 626 HD2 ARG 82 2HD ARG 82 -18.048 -5.602 1.860 627 HD3 ARG 82 3HD ARG 82 -17.818 -5.164 0.169 628 HE ARG 82 HE ARG 82 -20.186 -5.265 -0.139 629 HH11 ARG 82 2HH1 ARG 82 -19.133 -5.551 3.201 630 HH12 ARG 82 1HH1 ARG 82 -20.668 -5.053 3.851 631 HH21 ARG 82 2HH2 ARG 82 -22.205 -4.609 0.726 632 HH22 ARG 82 1HH2 ARG 82 -22.403 -4.509 2.452 633 H ILE 83 HN ILE 83 -15.173 -9.201 -2.051 634 HA ILE 83 HA ILE 83 -12.712 -10.112 -0.761 635 HB ILE 83 HB ILE 83 -13.579 -10.137 -3.656 636 HG12 ILE 83 2HG1 ILE 83 -13.130 -12.602 -3.393 637 HG13 ILE 83 3HG1 ILE 83 -12.885 -12.320 -1.675 638 HG21 ILE 83 1HG2 ILE 83 -10.880 -10.875 -2.536 639 HG22 ILE 83 2HG2 ILE 83 -11.414 -11.160 -4.193 640 HG23 ILE 83 3HG2 ILE 83 -11.235 -9.510 -3.593 641 HD11 ILE 83 3HD1 ILE 83 -15.433 -11.826 -3.196 642 HD12 ILE 83 1HD1 ILE 83 -15.102 -13.191 -2.128 643 HD13 ILE 83 2HD1 ILE 83 -15.189 -11.556 -1.472 644 H ILE 84 HN ILE 84 -11.309 -8.611 -0.199 645 HA ILE 84 HA ILE 84 -11.309 -6.039 -1.556 646 HB ILE 84 HB ILE 84 -9.214 -6.344 0.433 647 HG12 ILE 84 2HG1 ILE 84 -12.032 -7.082 1.182 648 HG13 ILE 84 3HG1 ILE 84 -10.521 -7.839 1.686 649 HG21 ILE 84 1HG2 ILE 84 -10.239 -4.251 -0.514 650 HG22 ILE 84 2HG2 ILE 84 -11.652 -4.602 0.494 651 HG23 ILE 84 3HG2 ILE 84 -10.082 -4.307 1.244 652 HD11 ILE 84 3HD1 ILE 84 -11.527 -6.614 3.517 653 HD12 ILE 84 1HD1 ILE 84 -10.000 -5.869 3.043 654 HD13 ILE 84 2HD1 ILE 84 -11.536 -5.134 2.543 655 H HIS 85 HN HIS 85 -9.829 -5.397 -2.948 656 HA HIS 85 HA HIS 85 -7.773 -7.366 -3.719 657 HB2 HIS 85 2HB HIS 85 -9.803 -6.665 -5.250 658 HB3 HIS 85 3HB HIS 85 -8.827 -5.238 -5.551 659 HD1 HIS 85 1HD HIS 85 -9.546 -8.311 -7.041 660 HD2 HIS 85 2HD HIS 85 -6.023 -6.214 -6.375 661 HE1 HIS 85 1HE HIS 85 -7.896 -9.231 -8.692 662 HE2 HIS 85 2HE HIS 85 -5.874 -7.749 -8.455 663 H LEU 86 HN LEU 86 -5.856 -6.655 -2.871 664 HA LEU 86 HA LEU 86 -5.411 -3.781 -2.713 665 HB2 LEU 86 2HB LEU 86 -4.021 -6.134 -1.482 666 HB3 LEU 86 3HB LEU 86 -3.272 -4.550 -1.504 667 HG LEU 86 HG LEU 86 -5.447 -3.737 -0.371 668 HD11 LEU 86 1HD1 LEU 86 -6.767 -5.750 -0.739 669 HD12 LEU 86 2HD1 LEU 86 -5.626 -6.685 0.227 670 HD13 LEU 86 3HD1 LEU 86 -6.587 -5.415 0.983 671 HD21 LEU 86 3HD2 LEU 86 -3.518 -5.517 1.109 672 HD22 LEU 86 1HD2 LEU 86 -3.269 -3.815 0.717 673 HD23 LEU 86 2HD2 LEU 86 -4.554 -4.286 1.831 674 H HIS 87 HN HIS 87 -4.323 -2.729 -4.152 675 HA HIS 87 HA HIS 87 -2.448 -4.160 -5.916 676 HB2 HIS 87 2HB HIS 87 -4.060 -1.644 -6.217 677 HB3 HIS 87 3HB HIS 87 -2.631 -1.900 -7.205 678 HD1 HIS 87 1HD HIS 87 -6.203 -2.828 -6.908 679 HD2 HIS 87 2HD HIS 87 -2.849 -4.066 -9.045 680 HE1 HIS 87 1HE HIS 87 -7.075 -4.210 -8.803 681 HE2 HIS 87 2HE HIS 87 -5.062 -4.665 -10.237 682 H ALA 88 HN ALA 88 -0.339 -3.960 -5.334 683 HA ALA 88 HA ALA 88 0.429 -1.638 -3.719 684 HB1 ALA 88 1HB ALA 88 2.477 -2.908 -3.216 685 HB2 ALA 88 2HB ALA 88 1.017 -3.797 -2.785 686 HB3 ALA 88 3HB ALA 88 1.905 -4.217 -4.249 687 H TRP 89 HN TRP 89 1.239 0.033 -4.739 688 HA TRP 89 HA TRP 89 2.986 -0.434 -7.066 689 HB2 TRP 89 2HB TRP 89 0.984 1.721 -6.503 690 HB3 TRP 89 3HB TRP 89 2.399 2.108 -7.471 691 HD1 TRP 89 1HD TRP 89 2.715 0.387 -9.703 692 HE1 TRP 89 1HE TRP 89 0.882 -0.384 -11.336 693 HE3 TRP 89 3HE TRP 89 -1.393 1.219 -6.774 694 HZ2 TRP 89 2HZ TRP 89 -1.926 -0.606 -11.382 695 HZ3 TRP 89 3HZ TRP 89 -3.616 0.709 -7.695 696 HH2 TRP 89 2HH TRP 89 -3.876 -0.183 -9.951 697 H HIS 90 HN HIS 90 4.862 0.824 -7.225 698 HA HIS 90 HA HIS 90 5.744 2.026 -4.692 699 HB2 HIS 90 2HB HIS 90 7.303 0.386 -5.542 700 HB3 HIS 90 3HB HIS 90 7.298 1.132 -7.133 701 HD1 HIS 90 1HD HIS 90 9.764 1.678 -7.258 702 HD2 HIS 90 2HD HIS 90 7.937 3.225 -3.852 703 HE1 HIS 90 1HE HIS 90 11.472 3.190 -6.196 704 HE2 HIS 90 2HE HIS 90 10.385 4.047 -4.095 705 H VAL 91 HN VAL 91 5.803 4.172 -4.508 706 HA VAL 91 HA VAL 91 5.356 5.795 -6.878 707 HB VAL 91 HB VAL 91 5.173 7.700 -5.247 708 HG11 VAL 91 1HG1 VAL 91 3.201 6.547 -6.071 709 HG12 VAL 91 2HG1 VAL 91 3.350 5.338 -4.797 710 HG13 VAL 91 3HG1 VAL 91 2.980 7.013 -4.385 711 HG21 VAL 91 3HG2 VAL 91 4.905 7.174 -2.869 712 HG22 VAL 91 1HG2 VAL 91 5.339 5.493 -3.189 713 HG23 VAL 91 2HG2 VAL 91 6.527 6.774 -3.437 714 HA PRO 92 HA PRO 92 9.818 6.285 -7.030 715 HB2 PRO 92 2HB PRO 92 9.879 7.411 -9.498 716 HB3 PRO 92 3HB PRO 92 9.685 5.673 -9.244 717 HG2 PRO 92 2HG PRO 92 7.621 7.744 -9.861 718 HG3 PRO 92 3HG PRO 92 7.774 6.095 -10.494 719 HD2 PRO 92 2HD PRO 92 6.034 6.785 -8.512 720 HD3 PRO 92 3HD PRO 92 6.745 5.166 -8.666 721 H ASP 93 HN ASP 93 7.342 8.699 -7.378 722 HA ASP 93 HA ASP 93 9.112 10.712 -6.274 723 HB2 ASP 93 2HB ASP 93 9.411 10.887 -8.741 724 HB3 ASP 93 3HB ASP 93 7.683 11.184 -8.899 725 H PHE 94 HN PHE 94 8.042 12.281 -5.152 726 HA PHE 94 HA PHE 94 5.126 12.390 -5.343 727 HB2 PHE 94 2HB PHE 94 5.023 12.570 -2.816 728 HB3 PHE 94 3HB PHE 94 5.377 10.973 -3.458 729 HD1 PHE 94 2HD PHE 94 7.172 14.013 -2.220 730 HD2 PHE 94 1HD PHE 94 7.068 9.772 -2.511 731 HE1 PHE 94 2HE PHE 94 9.169 13.872 -0.790 732 HE2 PHE 94 1HE PHE 94 9.067 9.620 -1.082 733 HZ PHE 94 HZ PHE 94 10.119 11.672 -0.217 734 H HIS 95 HN HIS 95 4.286 14.296 -4.020 735 HA HIS 95 HA HIS 95 6.087 16.596 -4.397 736 HB2 HIS 95 2HB HIS 95 4.440 16.511 -6.214 737 HB3 HIS 95 3HB HIS 95 3.135 16.361 -5.050 738 HD1 HIS 95 1HD HIS 95 4.828 18.789 -7.075 739 HD2 HIS 95 2HD HIS 95 2.897 18.830 -3.389 740 HE1 HIS 95 1HE HIS 95 4.274 21.200 -6.622 741 HE2 HIS 95 2HE HIS 95 2.900 21.161 -4.510 742 H GLY 96 HN GLY 96 6.422 17.576 -2.490 743 HA2 GLY 96 2HA GLY 96 5.468 18.866 -0.673 744 HA3 GLY 96 3HA GLY 96 4.200 17.656 -0.550 745 H THR 97 HN THR 97 4.681 17.467 1.702 746 HA THR 97 HA THR 97 7.101 15.867 2.220 747 HB THR 97 HB THR 97 5.841 17.899 4.080 748 HG1 THR 97 1HG THR 97 7.197 18.683 2.284 749 HG21 THR 97 3HG2 THR 97 8.272 16.143 4.466 750 HG22 THR 97 1HG2 THR 97 6.738 15.993 5.325 751 HG23 THR 97 2HG2 THR 97 7.747 17.418 5.564 752 H LEU 98 HN LEU 98 6.782 14.012 3.321 753 HA LEU 98 HA LEU 98 4.077 13.063 3.389 754 HB2 LEU 98 2HB LEU 98 5.226 10.948 4.338 755 HB3 LEU 98 3HB LEU 98 5.464 11.384 2.660 756 HG LEU 98 HG LEU 98 7.491 12.343 4.619 757 HD11 LEU 98 1HD1 LEU 98 8.683 10.204 4.495 758 HD12 LEU 98 2HD1 LEU 98 7.128 10.025 5.309 759 HD13 LEU 98 3HD1 LEU 98 7.314 9.491 3.639 760 HD21 LEU 98 3HD2 LEU 98 7.614 11.224 1.818 761 HD22 LEU 98 1HD2 LEU 98 7.642 12.931 2.250 762 HD23 LEU 98 2HD2 LEU 98 8.977 11.880 2.724 763 H GLN 99 HN GLN 99 2.744 13.170 4.982 764 HA GLN 99 HA GLN 99 3.747 13.308 7.739 765 HB2 GLN 99 2HB GLN 99 2.057 15.026 8.240 766 HB3 GLN 99 3HB GLN 99 3.186 15.579 7.008 767 HG2 GLN 99 2HG GLN 99 1.513 14.998 5.279 768 HG3 GLN 99 3HG GLN 99 0.375 14.600 6.567 769 HE21 GLN 99 1HE2 GLN 99 2.116 17.140 4.956 770 HE22 GLN 99 2HE2 GLN 99 1.201 18.462 5.605 771 H ALA 100 HN ALA 100 1.805 12.944 9.295 772 HA ALA 100 HA ALA 100 0.175 10.782 8.137 773 HB1 ALA 100 1HB ALA 100 0.377 9.533 10.064 774 HB2 ALA 100 2HB ALA 100 1.964 10.290 9.938 775 HB3 ALA 100 3HB ALA 100 0.770 10.940 11.063 776 H HIS 101 HN HIS 101 -1.813 11.461 7.777 777 HA HIS 101 HA HIS 101 -3.043 13.515 9.408 778 HB2 HIS 101 2HB HIS 101 -3.362 13.684 7.040 779 HB3 HIS 101 3HB HIS 101 -3.879 12.013 6.937 780 HD1 HIS 101 1HD HIS 101 -5.195 14.938 9.019 781 HD2 HIS 101 2HD HIS 101 -6.482 12.026 6.339 782 HE1 HIS 101 1HE HIS 101 -7.686 15.258 8.803 783 HE2 HIS 101 2HE HIS 101 -8.459 13.372 7.313 784 H GLU 102 HN GLU 102 -4.216 10.353 8.238 785 HA GLU 102 HA GLU 102 -5.863 10.130 10.637 786 HB2 GLU 102 2HB GLU 102 -5.839 8.810 7.952 787 HB3 GLU 102 3HB GLU 102 -6.624 7.992 9.309 788 HG2 GLU 102 2HG GLU 102 -7.849 10.249 9.640 789 HG3 GLU 102 3HG GLU 102 -7.346 10.570 7.980 790 H HIS 103 HN HIS 103 -3.262 8.493 8.938 791 HA HIS 103 HA HIS 103 -2.948 6.417 10.861 792 HB2 HIS 103 2HB HIS 103 -1.048 7.572 8.813 793 HB3 HIS 103 3HB HIS 103 -0.638 6.209 9.845 794 HD1 HIS 103 1HD HIS 103 -3.275 7.127 7.228 795 HD2 HIS 103 2HD HIS 103 -1.371 3.797 8.853 796 HE1 HIS 103 1HE HIS 103 -4.050 5.158 5.865 797 HE2 HIS 103 2HE HIS 103 -3.046 3.145 7.002 798 H GLN 104 HN GLN 104 -1.414 6.282 12.583 799 HA GLN 104 HA GLN 104 -1.242 8.866 13.885 800 HB2 GLN 104 2HB GLN 104 -2.113 6.735 14.976 801 HB3 GLN 104 3HB GLN 104 -0.435 6.219 15.065 802 HG2 GLN 104 2HG GLN 104 -1.137 7.195 17.164 803 HG3 GLN 104 3HG GLN 104 0.102 8.195 16.402 804 HE21 GLN 104 1HE2 GLN 104 -0.463 10.215 15.579 805 HE22 GLN 104 2HE2 GLN 104 -1.954 10.989 15.980 806 H ALA 105 HN ALA 105 1.070 6.146 13.718 807 HA ALA 105 HA ALA 105 3.227 8.149 13.734 808 HB1 ALA 105 1HB ALA 105 3.176 6.688 15.717 809 HB2 ALA 105 2HB ALA 105 3.343 5.280 14.668 810 HB3 ALA 105 3HB ALA 105 4.644 6.466 14.765 811 H LEU 106 HN LEU 106 5.042 7.809 12.366 812 HA LEU 106 HA LEU 106 4.649 5.866 10.195 813 HB2 LEU 106 2HB LEU 106 4.849 8.808 10.045 814 HB3 LEU 106 3HB LEU 106 5.899 7.946 8.941 815 HG LEU 106 HG LEU 106 3.968 6.838 7.932 816 HD11 LEU 106 1HD1 LEU 106 2.455 6.639 9.744 817 HD12 LEU 106 2HD1 LEU 106 2.417 8.384 9.986 818 HD13 LEU 106 3HD1 LEU 106 1.689 7.681 8.543 819 HD21 LEU 106 3HD2 LEU 106 2.966 8.803 6.879 820 HD22 LEU 106 1HD2 LEU 106 3.648 9.828 8.141 821 HD23 LEU 106 2HD2 LEU 106 4.714 8.974 7.028 822 H VAL 107 HN VAL 107 6.385 4.786 9.620 823 HA VAL 107 HA VAL 107 8.987 5.738 10.604 824 HB VAL 107 HB VAL 107 9.664 3.428 11.003 825 HG11 VAL 107 1HG1 VAL 107 8.420 3.045 13.060 826 HG12 VAL 107 2HG1 VAL 107 8.840 4.747 12.861 827 HG13 VAL 107 3HG1 VAL 107 7.197 4.199 12.528 828 HG21 VAL 107 3HG2 VAL 107 8.221 2.246 9.482 829 HG22 VAL 107 1HG2 VAL 107 7.981 1.630 11.118 830 HG23 VAL 107 2HG2 VAL 107 6.797 2.728 10.408 831 H TRP 108 HN TRP 108 10.700 5.510 9.237 832 HA TRP 108 HA TRP 108 10.148 4.275 6.643 833 HB2 TRP 108 2HB TRP 108 12.247 5.671 5.978 834 HB3 TRP 108 3HB TRP 108 10.699 6.488 6.146 835 HD1 TRP 108 1HD TRP 108 14.079 6.101 7.952 836 HE1 TRP 108 1HE TRP 108 14.373 8.092 9.565 837 HE3 TRP 108 3HE TRP 108 9.467 8.246 7.440 838 HZ2 TRP 108 2HZ TRP 108 12.848 10.282 10.486 839 HZ3 TRP 108 3HZ TRP 108 8.967 10.288 8.716 840 HH2 TRP 108 2HH TRP 108 10.622 11.284 10.207 841 H CYS 109 HN CYS 109 11.038 2.385 6.350 842 HA CYS 109 HA CYS 109 13.665 1.839 7.485 843 HB2 CYS 109 2HB CYS 109 12.964 -0.310 8.434 844 HB3 CYS 109 3HB CYS 109 12.108 1.026 9.191 845 HG CYS 109 HG CYS 109 10.327 -0.048 6.665 846 H SER 110 HN SER 110 14.656 -0.107 6.516 847 HA SER 110 HA SER 110 14.395 -0.072 3.698 848 HB2 SER 110 2HB SER 110 15.693 -2.278 5.304 849 HB3 SER 110 3HB SER 110 16.133 -1.697 3.699 850 HG SER 110 HG SER 110 17.443 -1.006 5.611 851 HA PRO 111 HA PRO 111 11.188 -3.046 2.737 852 HB2 PRO 111 2HB PRO 111 12.819 -4.897 1.316 853 HB3 PRO 111 3HB PRO 111 11.759 -3.656 0.648 854 HG2 PRO 111 2HG PRO 111 14.681 -3.619 1.046 855 HG3 PRO 111 3HG PRO 111 13.686 -2.704 -0.099 856 HD2 PRO 111 2HD PRO 111 14.846 -1.561 2.055 857 HD3 PRO 111 3HD PRO 111 13.287 -1.010 1.410 858 H GLU 112 HN GLU 112 14.300 -4.576 3.547 859 HA GLU 112 HA GLU 112 13.200 -6.990 4.492 860 HB2 GLU 112 2HB GLU 112 15.455 -7.286 5.573 861 HB3 GLU 112 3HB GLU 112 15.492 -6.960 3.846 862 HG2 GLU 112 2HG GLU 112 15.899 -4.543 4.432 863 HG3 GLU 112 3HG GLU 112 16.137 -5.075 6.095 864 H GLU 113 HN GLU 113 13.855 -3.933 6.082 865 HA GLU 113 HA GLU 113 13.485 -4.866 8.742 866 HB2 GLU 113 2HB GLU 113 13.203 -2.058 7.654 867 HB3 GLU 113 3HB GLU 113 13.394 -2.499 9.344 868 HG2 GLU 113 2HG GLU 113 15.430 -2.997 7.186 869 HG3 GLU 113 3HG GLU 113 15.459 -1.647 8.318 870 H ALA 114 HN ALA 114 11.361 -3.557 6.282 871 HA ALA 114 HA ALA 114 9.186 -2.794 7.857 872 HB1 ALA 114 1HB ALA 114 7.875 -2.870 5.829 873 HB2 ALA 114 2HB ALA 114 9.470 -2.200 5.488 874 HB3 ALA 114 3HB ALA 114 9.099 -3.865 5.042 875 H LEU 115 HN LEU 115 10.000 -5.968 6.553 876 HA LEU 115 HA LEU 115 7.461 -7.109 7.137 877 HB2 LEU 115 2HB LEU 115 9.718 -7.826 5.669 878 HB3 LEU 115 3HB LEU 115 9.626 -9.025 6.942 879 HG LEU 115 HG LEU 115 8.477 -9.554 4.710 880 HD11 LEU 115 1HD1 LEU 115 6.901 -9.750 7.270 881 HD12 LEU 115 2HD1 LEU 115 6.617 -10.694 5.805 882 HD13 LEU 115 3HD1 LEU 115 8.122 -10.891 6.704 883 HD21 LEU 115 3HD2 LEU 115 6.330 -7.795 5.874 884 HD22 LEU 115 1HD2 LEU 115 7.369 -7.330 4.526 885 HD23 LEU 115 2HD2 LEU 115 6.272 -8.703 4.366 886 H GLN 116 HN GLN 116 10.123 -6.328 9.104 887 HA GLN 116 HA GLN 116 9.656 -8.357 11.094 888 HB2 GLN 116 2HB GLN 116 11.202 -5.764 11.250 889 HB3 GLN 116 3HB GLN 116 11.237 -7.047 12.452 890 HG2 GLN 116 2HG GLN 116 12.266 -8.550 10.870 891 HG3 GLN 116 3HG GLN 116 12.135 -7.336 9.596 892 HE21 GLN 116 1HE2 GLN 116 13.795 -8.282 12.499 893 HE22 GLN 116 2HE2 GLN 116 15.104 -7.157 12.346 894 H TYR 117 HN TYR 117 8.052 -5.579 10.167 895 HA TYR 117 HA TYR 117 7.142 -4.903 12.862 896 HB2 TYR 117 2HB TYR 117 6.822 -3.575 10.174 897 HB3 TYR 117 3HB TYR 117 5.851 -3.092 11.560 898 HD1 TYR 117 1HD TYR 117 9.347 -3.458 10.395 899 HD2 TYR 117 2HD TYR 117 6.707 -1.573 13.132 900 HE1 TYR 117 1HE TYR 117 11.174 -1.973 11.117 901 HE2 TYR 117 2HE TYR 117 8.520 -0.087 13.873 902 HH TYR 117 HH TYR 117 11.093 -0.193 13.909 903 HA PRO 118 HA PRO 118 3.318 -7.050 12.399 904 HB2 PRO 118 2HB PRO 118 1.546 -5.444 13.650 905 HB3 PRO 118 3HB PRO 118 2.795 -6.331 14.532 906 HG2 PRO 118 2HG PRO 118 2.773 -3.469 13.643 907 HG3 PRO 118 3HG PRO 118 3.246 -4.140 15.214 908 HD2 PRO 118 2HD PRO 118 5.053 -3.453 13.308 909 HD3 PRO 118 3HD PRO 118 5.336 -4.796 14.430 910 H LEU 119 HN LEU 119 3.652 -6.422 10.022 911 HA LEU 119 HA LEU 119 1.839 -4.449 8.959 912 HB2 LEU 119 2HB LEU 119 3.488 -6.629 7.665 913 HB3 LEU 119 3HB LEU 119 2.460 -5.539 6.758 914 HG LEU 119 HG LEU 119 4.873 -4.728 8.400 915 HD11 LEU 119 1HD1 LEU 119 4.439 -4.887 5.421 916 HD12 LEU 119 2HD1 LEU 119 5.862 -4.216 6.218 917 HD13 LEU 119 3HD1 LEU 119 5.483 -5.930 6.385 918 HD21 LEU 119 3HD2 LEU 119 4.532 -2.524 7.362 919 HD22 LEU 119 1HD2 LEU 119 3.028 -3.102 6.645 920 HD23 LEU 119 2HD2 LEU 119 3.180 -2.981 8.397 921 H ALA 120 HN ALA 120 -0.065 -4.928 7.725 922 HA ALA 120 HA ALA 120 -1.688 -6.949 8.811 923 HB1 ALA 120 1HB ALA 120 -2.054 -5.564 6.161 924 HB2 ALA 120 2HB ALA 120 -3.300 -6.345 7.133 925 HB3 ALA 120 3HB ALA 120 -2.509 -4.879 7.722 926 HA PRO 121 HA PRO 121 -0.693 -10.672 6.665 927 HB2 PRO 121 2HB PRO 121 -3.194 -11.650 6.072 928 HB3 PRO 121 3HB PRO 121 -2.422 -11.776 7.656 929 HG2 PRO 121 2HG PRO 121 -4.442 -9.790 6.688 930 HG3 PRO 121 3HG PRO 121 -4.358 -10.631 8.248 931 HD2 PRO 121 2HD PRO 121 -3.563 -8.092 7.999 932 HD3 PRO 121 3HD PRO 121 -2.695 -9.226 9.055 933 H ALA 122 HN ALA 122 -2.227 -8.116 5.110 934 HA ALA 122 HA ALA 122 -2.161 -9.438 2.497 935 HB1 ALA 122 1HB ALA 122 -4.170 -8.186 2.973 936 HB2 ALA 122 2HB ALA 122 -3.221 -6.733 3.286 937 HB3 ALA 122 3HB ALA 122 -3.274 -7.420 1.663 938 H ASP 123 HN ASP 123 -0.608 -7.033 4.444 939 HA ASP 123 HA ASP 123 0.843 -5.805 2.291 940 HB2 ASP 123 2HB ASP 123 1.132 -5.560 5.293 941 HB3 ASP 123 3HB ASP 123 1.972 -4.558 4.112 942 H ILE 124 HN ILE 124 1.311 -8.414 4.493 943 HA ILE 124 HA ILE 124 4.122 -8.551 4.464 944 HB ILE 124 HB ILE 124 2.095 -10.767 4.821 945 HG12 ILE 124 2HG1 ILE 124 3.716 -9.215 6.852 946 HG13 ILE 124 3HG1 ILE 124 2.015 -8.937 6.497 947 HG21 ILE 124 1HG2 ILE 124 4.262 -11.664 4.119 948 HG22 ILE 124 2HG2 ILE 124 5.050 -10.782 5.426 949 HG23 ILE 124 3HG2 ILE 124 3.910 -12.074 5.798 950 HD11 ILE 124 3HD1 ILE 124 1.488 -11.185 7.289 951 HD12 ILE 124 1HD1 ILE 124 3.193 -11.457 7.642 952 HD13 ILE 124 2HD1 ILE 124 2.293 -10.227 8.530 953 HA PRO 125 HA PRO 125 3.597 -11.641 0.675 954 HB2 PRO 125 2HB PRO 125 1.196 -11.201 -0.677 955 HB3 PRO 125 3HB PRO 125 1.555 -12.581 0.367 956 HG2 PRO 125 2HG PRO 125 0.055 -10.085 0.972 957 HG3 PRO 125 3HG PRO 125 -0.243 -11.740 1.528 958 HD2 PRO 125 2HD PRO 125 0.869 -9.892 3.121 959 HD3 PRO 125 3HD PRO 125 1.348 -11.598 3.195 960 H LEU 126 HN LEU 126 2.285 -8.379 0.798 961 HA LEU 126 HA LEU 126 2.914 -7.743 -1.924 962 HB2 LEU 126 2HB LEU 126 2.349 -5.962 0.454 963 HB3 LEU 126 3HB LEU 126 2.529 -5.390 -1.192 964 HG LEU 126 HG LEU 126 0.363 -7.253 -0.219 965 HD11 LEU 126 1HD1 LEU 126 0.247 -4.348 -1.007 966 HD12 LEU 126 2HD1 LEU 126 -1.127 -5.361 -0.568 967 HD13 LEU 126 3HD1 LEU 126 0.105 -4.979 0.633 968 HD21 LEU 126 3HD2 LEU 126 -0.619 -6.848 -2.444 969 HD22 LEU 126 1HD2 LEU 126 0.844 -5.980 -2.907 970 HD23 LEU 126 2HD2 LEU 126 0.924 -7.699 -2.527 971 H LEU 127 HN LEU 127 4.392 -7.136 1.233 972 HA LEU 127 HA LEU 127 6.635 -5.736 0.189 973 HB2 LEU 127 2HB LEU 127 5.752 -5.644 2.560 974 HB3 LEU 127 3HB LEU 127 6.478 -7.216 2.815 975 HG LEU 127 HG LEU 127 7.781 -5.208 3.659 976 HD11 LEU 127 1HD1 LEU 127 9.945 -6.105 2.993 977 HD12 LEU 127 2HD1 LEU 127 8.820 -7.402 3.394 978 HD13 LEU 127 3HD1 LEU 127 9.174 -7.030 1.705 979 HD21 LEU 127 3HD2 LEU 127 7.408 -3.735 1.778 980 HD22 LEU 127 1HD2 LEU 127 9.135 -4.018 2.006 981 HD23 LEU 127 2HD2 LEU 127 8.266 -4.847 0.713 982 H GLU 128 HN GLU 128 5.996 -9.123 1.037 983 HA GLU 128 HA GLU 128 8.472 -10.269 0.716 984 HB2 GLU 128 2HB GLU 128 5.731 -11.228 -0.092 985 HB3 GLU 128 3HB GLU 128 7.158 -12.234 -0.273 986 HG2 GLU 128 2HG GLU 128 6.276 -11.047 2.341 987 HG3 GLU 128 3HG GLU 128 5.814 -12.655 1.783 988 H ALA 129 HN ALA 129 6.150 -9.375 -1.832 989 HA ALA 129 HA ALA 129 7.968 -10.288 -3.887 990 HB1 ALA 129 1HB ALA 129 5.415 -8.758 -4.307 991 HB2 ALA 129 2HB ALA 129 6.298 -9.758 -5.464 992 HB3 ALA 129 3HB ALA 129 5.486 -10.511 -4.089 993 H PHE 130 HN PHE 130 7.523 -7.389 -2.139 994 HA PHE 130 HA PHE 130 8.375 -5.636 -4.254 995 HB2 PHE 130 2HB PHE 130 7.020 -4.814 -2.333 996 HB3 PHE 130 3HB PHE 130 8.370 -5.170 -1.258 997 HD1 PHE 130 2HD PHE 130 7.217 -3.033 -4.019 998 HD2 PHE 130 1HD PHE 130 10.241 -3.703 -1.099 999 HE1 PHE 130 2HE PHE 130 8.143 -0.803 -4.475 1000 HE2 PHE 130 1HE PHE 130 11.173 -1.474 -1.554 1001 HZ PHE 130 HZ PHE 130 10.127 -0.022 -3.246 1002 H MET 131 HN MET 131 9.805 -7.069 -1.348 1003 HA MET 131 HA MET 131 12.452 -6.239 -1.973 1004 HB2 MET 131 2HB MET 131 13.164 -7.674 -0.171 1005 HB3 MET 131 3HB MET 131 11.696 -6.851 0.323 1006 HG2 MET 131 2HG MET 131 10.405 -8.873 -0.200 1007 HG3 MET 131 3HG MET 131 11.901 -9.699 -0.628 1008 HE1 MET 131 3HE MET 131 13.781 -9.810 2.804 1009 HE2 MET 131 1HE MET 131 13.840 -10.223 1.092 1010 HE3 MET 131 2HE MET 131 13.915 -8.534 1.595 1011 H ALA 132 HN ALA 132 10.493 -9.081 -2.798 1012 HA ALA 132 HA ALA 132 12.490 -10.552 -4.088 1013 HB1 ALA 132 1HB ALA 132 10.270 -11.454 -3.611 1014 HB2 ALA 132 2HB ALA 132 9.548 -10.326 -4.762 1015 HB3 ALA 132 3HB ALA 132 10.645 -11.590 -5.327 1016 H LEU 133 HN LEU 133 10.496 -7.847 -5.172 1017 HA LEU 133 HA LEU 133 11.189 -8.030 -7.914 1018 HB2 LEU 133 2HB LEU 133 9.515 -6.418 -6.283 1019 HB3 LEU 133 3HB LEU 133 10.566 -5.340 -7.183 1020 HG LEU 133 HG LEU 133 9.836 -6.458 -9.286 1021 HD11 LEU 133 1HD1 LEU 133 7.906 -7.861 -7.444 1022 HD12 LEU 133 2HD1 LEU 133 7.798 -7.839 -9.206 1023 HD13 LEU 133 3HD1 LEU 133 9.176 -8.605 -8.417 1024 HD21 LEU 133 3HD2 LEU 133 8.808 -4.375 -8.553 1025 HD22 LEU 133 1HD2 LEU 133 7.627 -5.413 -9.351 1026 HD23 LEU 133 2HD2 LEU 133 7.638 -5.279 -7.593 1027 H ARG 134 HN ARG 134 12.463 -6.208 -5.182 1028 HA ARG 134 HA ARG 134 14.384 -4.742 -6.668 1029 HB2 ARG 134 2HB ARG 134 14.053 -5.394 -3.753 1030 HB3 ARG 134 3HB ARG 134 15.443 -4.489 -4.338 1031 HG2 ARG 134 2HG ARG 134 14.041 -2.728 -5.142 1032 HG3 ARG 134 3HG ARG 134 12.587 -3.670 -4.804 1033 HD2 ARG 134 2HD ARG 134 13.186 -1.858 -3.130 1034 HD3 ARG 134 3HD ARG 134 12.867 -3.465 -2.477 1035 HE ARG 134 HE ARG 134 15.305 -3.747 -2.301 1036 HH11 ARG 134 2HH1 ARG 134 14.043 -0.480 -2.601 1037 HH12 ARG 134 1HH1 ARG 134 15.409 0.233 -1.789 1038 HH21 ARG 134 2HH2 ARG 134 17.062 -2.806 -1.228 1039 HH22 ARG 134 1HH2 ARG 134 17.130 -1.083 -1.007 1040 H ALA 135 HN ALA 135 14.299 -7.973 -5.444 1041 HA ALA 135 HA ALA 135 17.196 -8.252 -5.508 1042 HB1 ALA 135 1HB ALA 135 16.811 -10.491 -4.640 1043 HB2 ALA 135 2HB ALA 135 15.939 -9.292 -3.685 1044 HB3 ALA 135 3HB ALA 135 15.073 -10.289 -4.854 1045 H ALA 136 HN ALA 136 14.371 -9.260 -7.360 1046 HA ALA 136 HA ALA 136 16.050 -10.881 -9.118 1047 HB1 ALA 136 1HB ALA 136 13.958 -11.656 -10.099 1048 HB2 ALA 136 2HB ALA 136 13.934 -11.834 -8.344 1049 HB3 ALA 136 3HB ALA 136 13.060 -10.507 -9.109 1050 H ARG 137 HN ARG 137 14.020 -8.003 -9.195 1051 HA ARG 137 HA ARG 137 13.665 -6.369 -10.711 1052 HB2 ARG 137 2HB ARG 137 16.066 -6.008 -10.460 1053 HB3 ARG 137 3HB ARG 137 16.393 -7.204 -11.703 1054 HG2 ARG 137 2HG ARG 137 16.638 -4.924 -12.539 1055 HG3 ARG 137 3HG ARG 137 15.354 -5.792 -13.378 1056 HD2 ARG 137 2HD ARG 137 14.429 -4.313 -11.032 1057 HD3 ARG 137 3HD ARG 137 15.141 -3.289 -12.277 1058 HE ARG 137 HE ARG 137 13.297 -5.144 -13.401 1059 HH11 ARG 137 2HH1 ARG 137 13.421 -2.152 -11.565 1060 HH12 ARG 137 1HH1 ARG 137 11.928 -1.544 -12.224 1061 HH21 ARG 137 2HH2 ARG 137 11.336 -4.354 -14.246 1062 HH22 ARG 137 1HH2 ARG 137 10.741 -2.791 -13.748 1063 HA PRO 138 HA PRO 138 12.115 -9.200 -13.963 1064 HB2 PRO 138 2HB PRO 138 9.557 -8.376 -13.853 1065 HB3 PRO 138 3HB PRO 138 10.209 -9.545 -12.696 1066 HG2 PRO 138 2HG PRO 138 9.754 -6.605 -12.369 1067 HG3 PRO 138 3HG PRO 138 9.422 -7.923 -11.230 1068 HD2 PRO 138 2HD PRO 138 11.635 -6.322 -11.089 1069 HD3 PRO 138 3HD PRO 138 11.592 -7.991 -10.488 1070 H ALA 139 HN ALA 139 10.775 -8.575 -15.958 1071 HA ALA 139 HA ALA 139 11.574 -5.869 -16.811 1072 HB1 ALA 139 1HB ALA 139 12.596 -7.703 -18.091 1073 HB2 ALA 139 2HB ALA 139 10.989 -8.285 -18.524 1074 HB3 ALA 139 3HB ALA 139 11.541 -6.710 -19.095 1075 H ASP 140 HN ASP 140 9.149 -8.155 -18.034 1076 HA ASP 140 HA ASP 140 7.006 -6.302 -17.309 1077 HB2 ASP 140 2HB ASP 140 7.651 -7.212 -20.104 1078 HB3 ASP 140 3HB ASP 140 5.995 -6.831 -19.648 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -29.807 -5.577 -4.918 2 H2 GLY 1 2H GLY 1 -31.452 -5.231 -4.697 3 H3 GLY 1 3H GLY 1 -30.707 -4.905 -6.186 4 HA2 GLY 1 3HA GLY 1 -32.062 -6.901 -6.316 5 HA3 GLY 1 2HA GLY 1 -30.358 -7.246 -6.578 6 HA PRO 2 HA PRO 2 -31.751 -10.327 -3.443 7 HB2 PRO 2 2HB PRO 2 -29.537 -11.853 -4.653 8 HB3 PRO 2 3HB PRO 2 -31.219 -12.327 -4.401 9 HG2 PRO 2 2HG PRO 2 -30.277 -11.791 -6.850 10 HG3 PRO 2 3HG PRO 2 -31.930 -11.353 -6.375 11 HD2 PRO 2 2HD PRO 2 -29.490 -9.622 -6.566 12 HD3 PRO 2 3HD PRO 2 -31.157 -9.279 -7.076 13 H LEU 3 HN LEU 3 -30.607 -11.195 -1.608 14 HA LEU 3 HA LEU 3 -28.497 -9.422 -0.764 15 HB2 LEU 3 2HB LEU 3 -30.356 -10.057 0.742 16 HB3 LEU 3 3HB LEU 3 -29.778 -11.713 0.725 17 HG LEU 3 HG LEU 3 -27.671 -10.979 1.781 18 HD11 LEU 3 1HD1 LEU 3 -27.492 -8.727 2.698 19 HD12 LEU 3 2HD1 LEU 3 -27.616 -8.689 0.940 20 HD13 LEU 3 3HD1 LEU 3 -29.018 -8.284 1.932 21 HD21 LEU 3 3HD2 LEU 3 -29.495 -11.782 3.170 22 HD22 LEU 3 1HD2 LEU 3 -28.609 -10.494 3.986 23 HD23 LEU 3 2HD2 LEU 3 -30.171 -10.154 3.246 24 H GLY 4 HN GLY 4 -26.980 -10.177 -2.372 25 HA2 GLY 4 2HA GLY 4 -25.270 -12.237 -1.194 26 HA3 GLY 4 3HA GLY 4 -25.759 -12.458 -2.871 27 H SER 5 HN SER 5 -24.607 -9.751 -0.864 28 HA SER 5 HA SER 5 -23.293 -8.622 -3.175 29 HB2 SER 5 2HB SER 5 -24.545 -7.203 -1.545 30 HB3 SER 5 3HB SER 5 -23.322 -7.581 -0.333 31 HG SER 5 HG SER 5 -22.344 -5.893 -1.139 32 H MET 6 HN MET 6 -21.769 -10.361 -3.458 33 HA MET 6 HA MET 6 -19.489 -10.269 -1.628 34 HB2 MET 6 2HB MET 6 -19.998 -11.946 -4.093 35 HB3 MET 6 3HB MET 6 -18.527 -12.016 -3.132 36 HG2 MET 6 2HG MET 6 -19.840 -12.735 -1.193 37 HG3 MET 6 3HG MET 6 -21.302 -12.695 -2.180 38 HE1 MET 6 3HE MET 6 -17.781 -15.599 -2.881 39 HE2 MET 6 1HE MET 6 -17.681 -13.867 -3.200 40 HE3 MET 6 2HE MET 6 -17.852 -14.451 -1.543 41 H LYS 7 HN LYS 7 -19.856 -7.901 -2.573 42 HA LYS 7 HA LYS 7 -18.708 -7.293 -5.083 43 HB2 LYS 7 2HB LYS 7 -19.544 -5.774 -2.686 44 HB3 LYS 7 3HB LYS 7 -18.345 -5.001 -3.713 45 HG2 LYS 7 2HG LYS 7 -21.040 -5.997 -4.611 46 HG3 LYS 7 3HG LYS 7 -20.610 -4.315 -4.289 47 HD2 LYS 7 2HD LYS 7 -18.704 -4.783 -6.020 48 HD3 LYS 7 3HD LYS 7 -19.759 -6.102 -6.530 49 HE2 LYS 7 2HE LYS 7 -20.253 -4.208 -7.891 50 HE3 LYS 7 3HE LYS 7 -21.598 -4.425 -6.772 51 HZ1 LYS 7 3HZ LYS 7 -20.629 -2.684 -5.364 52 HZ2 LYS 7 1HZ LYS 7 -21.000 -2.110 -6.916 53 HZ3 LYS 7 2HZ LYS 7 -19.393 -2.454 -6.500 54 H MET 8 HN MET 8 -16.714 -6.166 -5.479 55 HA MET 8 HA MET 8 -14.575 -7.121 -3.742 56 HB2 MET 8 2HB MET 8 -14.620 -6.128 -6.581 57 HB3 MET 8 3HB MET 8 -13.118 -6.198 -5.674 58 HG2 MET 8 2HG MET 8 -13.538 -8.616 -5.285 59 HG3 MET 8 3HG MET 8 -14.934 -8.497 -6.352 60 HE1 MET 8 3HE MET 8 -13.942 -10.461 -7.859 61 HE2 MET 8 1HE MET 8 -12.307 -10.447 -8.521 62 HE3 MET 8 2HE MET 8 -12.551 -10.571 -6.779 63 H ILE 9 HN ILE 9 -13.349 -5.845 -2.598 64 HA ILE 9 HA ILE 9 -13.923 -2.957 -2.609 65 HB ILE 9 HB ILE 9 -12.711 -4.722 -0.484 66 HG12 ILE 9 2HG1 ILE 9 -15.393 -3.373 -0.724 67 HG13 ILE 9 3HG1 ILE 9 -15.062 -5.093 -0.562 68 HG21 ILE 9 1HG2 ILE 9 -11.788 -2.378 -0.601 69 HG22 ILE 9 2HG2 ILE 9 -13.396 -1.824 -0.136 70 HG23 ILE 9 3HG2 ILE 9 -12.477 -2.882 0.946 71 HD11 ILE 9 3HD1 ILE 9 -14.181 -4.648 1.718 72 HD12 ILE 9 1HD1 ILE 9 -14.714 -2.975 1.539 73 HD13 ILE 9 2HD1 ILE 9 -15.897 -4.281 1.516 74 H GLU 10 HN GLU 10 -12.408 -1.872 -3.721 75 HA GLU 10 HA GLU 10 -9.847 -3.225 -4.134 76 HB2 GLU 10 2HB GLU 10 -11.069 -0.894 -5.624 77 HB3 GLU 10 3HB GLU 10 -9.517 -1.634 -5.995 78 HG2 GLU 10 2HG GLU 10 -10.888 -3.819 -6.208 79 HG3 GLU 10 3HG GLU 10 -12.267 -2.733 -6.368 80 H VAL 11 HN VAL 11 -8.067 -2.532 -3.182 81 HA VAL 11 HA VAL 11 -8.063 0.166 -2.034 82 HB VAL 11 HB VAL 11 -7.026 -2.347 -0.690 83 HG11 VAL 11 1HG1 VAL 11 -5.589 -0.431 -0.245 84 HG12 VAL 11 2HG1 VAL 11 -6.989 0.520 0.251 85 HG13 VAL 11 3HG1 VAL 11 -6.493 -0.880 1.201 86 HG21 VAL 11 3HG2 VAL 11 -8.721 -1.898 1.019 87 HG22 VAL 11 1HG2 VAL 11 -9.314 -0.535 0.072 88 HG23 VAL 11 2HG2 VAL 11 -9.454 -2.174 -0.560 89 H VAL 12 HN VAL 12 -6.355 1.276 -2.678 90 HA VAL 12 HA VAL 12 -4.194 -0.185 -4.001 91 HB VAL 12 HB VAL 12 -3.519 2.192 -4.735 92 HG11 VAL 12 1HG1 VAL 12 -6.076 0.936 -5.724 93 HG12 VAL 12 2HG1 VAL 12 -5.132 2.145 -6.595 94 HG13 VAL 12 3HG1 VAL 12 -4.438 0.558 -6.263 95 HG21 VAL 12 3HG2 VAL 12 -6.366 2.718 -3.874 96 HG22 VAL 12 1HG2 VAL 12 -4.917 3.428 -3.164 97 HG23 VAL 12 2HG2 VAL 12 -5.363 3.811 -4.828 98 H ALA 13 HN ALA 13 -2.166 -0.233 -3.186 99 HA ALA 13 HA ALA 13 -1.818 1.121 -0.604 100 HB1 ALA 13 1HB ALA 13 -1.870 -1.334 -0.442 101 HB2 ALA 13 2HB ALA 13 -0.538 -1.429 -1.595 102 HB3 ALA 13 3HB ALA 13 -0.284 -0.688 -0.014 103 H ALA 14 HN ALA 14 -0.304 2.594 -0.496 104 HA ALA 14 HA ALA 14 1.490 2.908 -2.790 105 HB1 ALA 14 1HB ALA 14 0.752 4.866 -0.622 106 HB2 ALA 14 2HB ALA 14 1.766 5.197 -2.028 107 HB3 ALA 14 3HB ALA 14 0.062 4.806 -2.244 108 H ILE 15 HN ILE 15 3.413 2.082 -2.551 109 HA ILE 15 HA ILE 15 4.575 1.827 0.104 110 HB ILE 15 HB ILE 15 5.427 0.794 -2.605 111 HG12 ILE 15 2HG1 ILE 15 4.183 -0.438 -0.166 112 HG13 ILE 15 3HG1 ILE 15 3.661 -0.530 -1.844 113 HG21 ILE 15 1HG2 ILE 15 6.803 0.325 0.024 114 HG22 ILE 15 2HG2 ILE 15 7.254 -0.357 -1.534 115 HG23 ILE 15 3HG2 ILE 15 7.397 1.378 -1.258 116 HD11 ILE 15 3HD1 ILE 15 4.554 -2.651 -1.059 117 HD12 ILE 15 1HD1 ILE 15 5.538 -1.988 -2.364 118 HD13 ILE 15 2HD1 ILE 15 6.097 -1.868 -0.683 119 H ILE 16 HN ILE 16 5.337 3.804 0.722 120 HA ILE 16 HA ILE 16 6.618 5.539 -1.200 121 HB ILE 16 HB ILE 16 6.616 5.990 1.771 122 HG12 ILE 16 2HG1 ILE 16 4.289 5.286 0.938 123 HG13 ILE 16 3HG1 ILE 16 4.406 6.799 1.822 124 HG21 ILE 16 1HG2 ILE 16 6.421 8.350 1.084 125 HG22 ILE 16 2HG2 ILE 16 7.841 7.559 0.394 126 HG23 ILE 16 3HG2 ILE 16 6.414 7.839 -0.604 127 HD11 ILE 16 3HD1 ILE 16 2.927 7.010 -0.064 128 HD12 ILE 16 1HD1 ILE 16 4.352 8.022 -0.282 129 HD13 ILE 16 2HD1 ILE 16 4.211 6.499 -1.160 130 H GLU 17 HN GLU 17 8.601 4.782 -1.771 131 HA GLU 17 HA GLU 17 10.363 3.945 0.422 132 HB2 GLU 17 2HB GLU 17 9.688 2.031 -0.982 133 HB3 GLU 17 3HB GLU 17 10.320 2.852 -2.400 134 HG2 GLU 17 2HG GLU 17 12.093 2.250 -0.065 135 HG3 GLU 17 3HG GLU 17 11.730 1.017 -1.272 136 H ARG 18 HN ARG 18 11.978 5.199 0.707 137 HA ARG 18 HA ARG 18 13.372 6.423 -1.532 138 HB2 ARG 18 2HB ARG 18 11.459 7.943 -0.394 139 HB3 ARG 18 3HB ARG 18 12.768 8.256 0.737 140 HG2 ARG 18 2HG ARG 18 12.884 9.981 -0.841 141 HG3 ARG 18 3HG ARG 18 14.176 8.863 -1.284 142 HD2 ARG 18 2HD ARG 18 12.727 7.884 -3.009 143 HD3 ARG 18 3HD ARG 18 11.441 8.998 -2.555 144 HE ARG 18 HE ARG 18 13.866 10.350 -3.268 145 HH11 ARG 18 2HH1 ARG 18 11.015 8.787 -4.565 146 HH12 ARG 18 1HH1 ARG 18 11.010 9.712 -6.033 147 HH21 ARG 18 2HH2 ARG 18 13.862 11.582 -5.202 148 HH22 ARG 18 1HH2 ARG 18 12.608 11.320 -6.383 149 H ASP 19 HN ASP 19 15.530 6.557 -1.112 150 HA ASP 19 HA ASP 19 17.528 6.370 -0.045 151 HB2 ASP 19 2HB ASP 19 15.824 7.062 2.348 152 HB3 ASP 19 3HB ASP 19 17.555 6.772 2.480 153 H GLY 20 HN GLY 20 15.434 4.126 -0.242 154 HA2 GLY 20 2HA GLY 20 15.822 1.839 -0.066 155 HA3 GLY 20 3HA GLY 20 17.130 2.164 1.064 156 H LYS 21 HN LYS 21 14.352 3.872 1.920 157 HA LYS 21 HA LYS 21 13.513 1.696 3.738 158 HB2 LYS 21 2HB LYS 21 13.017 4.581 4.363 159 HB3 LYS 21 3HB LYS 21 13.075 3.216 5.452 160 HG2 LYS 21 2HG LYS 21 15.607 3.665 4.132 161 HG3 LYS 21 3HG LYS 21 15.061 5.073 5.047 162 HD2 LYS 21 2HD LYS 21 16.170 3.922 6.687 163 HD3 LYS 21 3HD LYS 21 14.554 3.248 6.876 164 HE2 LYS 21 2HE LYS 21 16.295 1.515 6.882 165 HE3 LYS 21 3HE LYS 21 15.144 1.324 5.559 166 HZ1 LYS 21 3HZ LYS 21 17.880 2.475 5.363 167 HZ2 LYS 21 1HZ LYS 21 16.771 2.390 4.087 168 HZ3 LYS 21 2HZ LYS 21 17.377 0.970 4.772 169 H ILE 22 HN ILE 22 11.315 1.436 4.124 170 HA ILE 22 HA ILE 22 9.543 2.727 2.167 171 HB ILE 22 HB ILE 22 9.009 0.198 3.733 172 HG12 ILE 22 2HG1 ILE 22 9.951 0.488 0.875 173 HG13 ILE 22 3HG1 ILE 22 10.941 -0.081 2.214 174 HG21 ILE 22 1HG2 ILE 22 6.965 1.154 3.033 175 HG22 ILE 22 2HG2 ILE 22 7.621 1.573 1.448 176 HG23 ILE 22 3HG2 ILE 22 7.320 -0.119 1.857 177 HD11 ILE 22 3HD1 ILE 22 8.485 -1.418 1.107 178 HD12 ILE 22 1HD1 ILE 22 10.159 -1.943 0.913 179 HD13 ILE 22 2HD1 ILE 22 9.406 -1.971 2.507 180 H LEU 23 HN LEU 23 7.762 3.784 2.829 181 HA LEU 23 HA LEU 23 7.654 4.706 5.535 182 HB2 LEU 23 2HB LEU 23 7.181 6.114 3.548 183 HB3 LEU 23 3HB LEU 23 5.746 5.162 3.239 184 HG LEU 23 HG LEU 23 4.822 5.929 5.425 185 HD11 LEU 23 1HD1 LEU 23 5.878 7.849 6.513 186 HD12 LEU 23 2HD1 LEU 23 6.918 6.425 6.549 187 HD13 LEU 23 3HD1 LEU 23 7.243 7.724 5.402 188 HD21 LEU 23 3HD2 LEU 23 4.307 7.038 3.247 189 HD22 LEU 23 1HD2 LEU 23 4.193 8.112 4.645 190 HD23 LEU 23 2HD2 LEU 23 5.601 8.188 3.584 191 H LEU 24 HN LEU 24 6.791 3.570 7.091 192 HA LEU 24 HA LEU 24 4.312 2.057 6.559 193 HB2 LEU 24 2HB LEU 24 6.391 1.669 8.700 194 HB3 LEU 24 3HB LEU 24 4.795 0.957 8.805 195 HG LEU 24 HG LEU 24 6.924 0.371 6.778 196 HD11 LEU 24 1HD1 LEU 24 5.545 -1.334 8.830 197 HD12 LEU 24 2HD1 LEU 24 6.710 -1.913 7.639 198 HD13 LEU 24 3HD1 LEU 24 7.214 -0.768 8.880 199 HD21 LEU 24 3HD2 LEU 24 5.369 -1.178 5.726 200 HD22 LEU 24 1HD2 LEU 24 4.087 -0.625 6.807 201 HD23 LEU 24 2HD2 LEU 24 4.785 0.484 5.626 202 H ALA 25 HN ALA 25 2.488 2.535 7.640 203 HA ALA 25 HA ALA 25 2.638 4.822 9.496 204 HB1 ALA 25 1HB ALA 25 0.508 5.576 8.633 205 HB2 ALA 25 2HB ALA 25 1.657 5.383 7.308 206 HB3 ALA 25 3HB ALA 25 0.408 4.167 7.576 207 H GLN 26 HN GLN 26 2.046 4.359 11.491 208 HA GLN 26 HA GLN 26 0.864 1.855 12.175 209 HB2 GLN 26 2HB GLN 26 2.509 3.324 13.549 210 HB3 GLN 26 3HB GLN 26 1.065 4.168 14.084 211 HG2 GLN 26 2HG GLN 26 1.524 1.205 14.413 212 HG3 GLN 26 3HG GLN 26 1.872 2.412 15.647 213 HE21 GLN 26 1HE2 GLN 26 -0.567 0.606 13.997 214 HE22 GLN 26 2HE2 GLN 26 -1.898 1.092 14.995 215 H ARG 27 HN ARG 27 -1.136 1.511 11.588 216 HA ARG 27 HA ARG 27 -3.294 2.207 13.100 217 HB2 ARG 27 2HB ARG 27 -2.903 4.520 12.012 218 HB3 ARG 27 3HB ARG 27 -3.452 3.780 10.519 219 HG2 ARG 27 2HG ARG 27 -5.124 3.777 13.009 220 HG3 ARG 27 3HG ARG 27 -5.139 5.117 11.867 221 HD2 ARG 27 2HD ARG 27 -5.702 3.404 10.085 222 HD3 ARG 27 3HD ARG 27 -5.979 2.266 11.404 223 HE ARG 27 HE ARG 27 -7.416 4.763 11.642 224 HH11 ARG 27 2HH1 ARG 27 -7.523 1.449 10.481 225 HH12 ARG 27 1HH1 ARG 27 -9.258 1.435 10.347 226 HH21 ARG 27 2HH2 ARG 27 -9.684 4.730 11.457 227 HH22 ARG 27 1HH2 ARG 27 -10.477 3.284 10.893 228 HA PRO 28 HA PRO 28 -3.772 -1.170 10.183 229 HB2 PRO 28 2HB PRO 28 -4.869 -2.947 11.818 230 HB3 PRO 28 3HB PRO 28 -3.197 -2.434 12.055 231 HG2 PRO 28 2HG PRO 28 -5.657 -1.606 13.525 232 HG3 PRO 28 3HG PRO 28 -4.036 -1.938 14.140 233 HD2 PRO 28 2HD PRO 28 -5.095 0.584 13.551 234 HD3 PRO 28 3HD PRO 28 -3.375 0.217 13.806 235 H ALA 29 HN ALA 29 -6.036 -2.881 10.597 236 HA ALA 29 HA ALA 29 -7.958 -1.212 9.207 237 HB1 ALA 29 1HB ALA 29 -7.295 -3.317 8.187 238 HB2 ALA 29 2HB ALA 29 -7.895 -4.197 9.592 239 HB3 ALA 29 3HB ALA 29 -9.018 -3.313 8.560 240 H GLN 30 HN GLN 30 -8.666 -3.978 11.296 241 HA GLN 30 HA GLN 30 -10.698 -2.313 12.631 242 HB2 GLN 30 2HB GLN 30 -10.814 -5.288 12.095 243 HB3 GLN 30 3HB GLN 30 -12.080 -4.308 12.825 244 HG2 GLN 30 2HG GLN 30 -12.256 -3.036 10.715 245 HG3 GLN 30 3HG GLN 30 -11.068 -4.125 9.995 246 HE21 GLN 30 1HE2 GLN 30 -11.655 -6.271 9.576 247 HE22 GLN 30 2HE2 GLN 30 -13.307 -6.771 9.528 248 H SER 31 HN SER 31 -7.844 -3.014 13.355 249 HA SER 31 HA SER 31 -8.233 -4.725 15.692 250 HB2 SER 31 2HB SER 31 -5.679 -3.704 14.427 251 HB3 SER 31 3HB SER 31 -5.791 -4.889 15.732 252 HG SER 31 HG SER 31 -7.232 -6.017 14.066 253 H ASP 32 HN ASP 32 -8.884 -3.625 17.438 254 HA ASP 32 HA ASP 32 -8.205 -0.904 17.957 255 HB2 ASP 32 2HB ASP 32 -9.380 -3.009 19.780 256 HB3 ASP 32 3HB ASP 32 -9.269 -1.297 20.168 257 H GLN 33 HN GLN 33 -6.298 -3.500 18.045 258 HA GLN 33 HA GLN 33 -5.068 -3.218 20.611 259 HB2 GLN 33 2HB GLN 33 -3.863 -4.658 18.271 260 HB3 GLN 33 3HB GLN 33 -3.684 -5.013 19.985 261 HG2 GLN 33 2HG GLN 33 -6.093 -5.641 20.032 262 HG3 GLN 33 3HG GLN 33 -6.121 -5.447 18.280 263 HE21 GLN 33 1HE2 GLN 33 -4.972 -6.904 16.988 264 HE22 GLN 33 2HE2 GLN 33 -4.441 -8.438 17.584 265 H ALA 34 HN ALA 34 -4.653 -1.873 17.501 266 HA ALA 34 HA ALA 34 -3.197 -0.424 16.579 267 HB1 ALA 34 1HB ALA 34 -2.495 0.273 19.423 268 HB2 ALA 34 2HB ALA 34 -2.205 1.269 17.997 269 HB3 ALA 34 3HB ALA 34 -3.856 0.937 18.521 270 H GLY 35 HN GLY 35 -0.657 0.436 17.136 271 HA2 GLY 35 2HA GLY 35 1.553 -0.199 17.493 272 HA3 GLY 35 3HA GLY 35 1.003 -1.800 17.949 273 H LEU 36 HN LEU 36 -0.585 -1.990 15.429 274 HA LEU 36 HA LEU 36 1.439 -3.209 13.847 275 HB2 LEU 36 2HB LEU 36 -1.417 -2.708 13.048 276 HB3 LEU 36 3HB LEU 36 -0.360 -4.003 12.520 277 HG LEU 36 HG LEU 36 -1.413 -3.709 15.335 278 HD11 LEU 36 1HD1 LEU 36 -2.880 -5.589 14.770 279 HD12 LEU 36 2HD1 LEU 36 -3.238 -4.147 13.820 280 HD13 LEU 36 3HD1 LEU 36 -2.349 -5.484 13.091 281 HD21 LEU 36 3HD2 LEU 36 0.013 -5.981 13.966 282 HD22 LEU 36 1HD2 LEU 36 0.697 -4.916 15.192 283 HD23 LEU 36 2HD2 LEU 36 -0.629 -6.003 15.607 284 H TRP 37 HN TRP 37 2.077 -2.687 11.746 285 HA TRP 37 HA TRP 37 1.498 0.082 10.917 286 HB2 TRP 37 2HB TRP 37 4.045 -1.448 10.303 287 HB3 TRP 37 3HB TRP 37 3.702 0.238 9.958 288 HD1 TRP 37 1HD TRP 37 4.338 -2.061 12.996 289 HE1 TRP 37 1HE TRP 37 5.312 -0.627 14.898 290 HE3 TRP 37 3HE TRP 37 3.974 2.545 10.800 291 HZ2 TRP 37 2HZ TRP 37 5.855 2.093 15.395 292 HZ3 TRP 37 3HZ TRP 37 4.746 4.513 12.061 293 HH2 TRP 37 2HH TRP 37 5.667 4.290 14.311 294 H GLU 38 HN GLU 38 1.359 0.455 8.647 295 HA GLU 38 HA GLU 38 1.334 -1.810 6.856 296 HB2 GLU 38 2HB GLU 38 -1.001 -1.298 6.070 297 HB3 GLU 38 3HB GLU 38 -0.906 -2.028 7.667 298 HG2 GLU 38 2HG GLU 38 -1.289 0.101 8.715 299 HG3 GLU 38 3HG GLU 38 -1.232 0.921 7.157 300 H PHE 39 HN PHE 39 0.498 -0.942 4.606 301 HA PHE 39 HA PHE 39 2.170 1.355 4.038 302 HB2 PHE 39 2HB PHE 39 0.537 -0.391 2.176 303 HB3 PHE 39 3HB PHE 39 1.708 0.825 1.676 304 HD1 PHE 39 1HD PHE 39 4.101 0.464 2.097 305 HD2 PHE 39 2HD PHE 39 1.187 -2.523 2.872 306 HE1 PHE 39 1HE PHE 39 5.862 -1.231 2.149 307 HE2 PHE 39 2HE PHE 39 2.940 -4.226 2.925 308 HZ PHE 39 HZ PHE 39 5.297 -3.593 2.565 309 H ALA 40 HN ALA 40 1.426 3.263 2.998 310 HA ALA 40 HA ALA 40 -1.158 4.124 3.926 311 HB1 ALA 40 1HB ALA 40 0.866 5.569 2.215 312 HB2 ALA 40 2HB ALA 40 -0.541 6.294 2.990 313 HB3 ALA 40 3HB ALA 40 0.767 5.638 3.973 314 H GLY 41 HN GLY 41 -2.751 5.169 2.446 315 HA2 GLY 41 2HA GLY 41 -2.951 5.232 -0.198 316 HA3 GLY 41 3HA GLY 41 -3.107 3.503 0.089 317 H GLY 42 HN GLY 42 -5.196 3.070 -0.263 318 HA2 GLY 42 2HA GLY 42 -7.180 3.538 1.543 319 HA3 GLY 42 3HA GLY 42 -7.266 4.936 0.483 320 H LYS 43 HN LYS 43 -9.464 3.724 0.480 321 HA LYS 43 HA LYS 43 -9.625 1.476 -1.312 322 HB2 LYS 43 2HB LYS 43 -11.189 1.780 0.595 323 HB3 LYS 43 3HB LYS 43 -11.845 3.205 -0.196 324 HG2 LYS 43 2HG LYS 43 -12.676 1.861 -2.016 325 HG3 LYS 43 3HG LYS 43 -11.915 0.420 -1.344 326 HD2 LYS 43 2HD LYS 43 -14.038 0.128 -0.554 327 HD3 LYS 43 3HD LYS 43 -13.357 1.069 0.770 328 HE2 LYS 43 2HE LYS 43 -15.007 2.160 -1.509 329 HE3 LYS 43 3HE LYS 43 -15.581 1.870 0.130 330 HZ1 LYS 43 3HZ LYS 43 -14.009 4.058 -0.926 331 HZ2 LYS 43 1HZ LYS 43 -13.474 3.465 0.577 332 HZ3 LYS 43 2HZ LYS 43 -15.063 4.011 0.402 333 H VAL 44 HN VAL 44 -10.622 1.451 -3.342 334 HA VAL 44 HA VAL 44 -10.361 3.993 -4.797 335 HB VAL 44 HB VAL 44 -10.497 1.188 -5.923 336 HG11 VAL 44 1HG1 VAL 44 -9.657 2.220 -7.978 337 HG12 VAL 44 2HG1 VAL 44 -11.203 2.915 -7.491 338 HG13 VAL 44 3HG1 VAL 44 -9.707 3.804 -7.204 339 HG21 VAL 44 3HG2 VAL 44 -8.083 2.916 -5.403 340 HG22 VAL 44 1HG2 VAL 44 -8.496 1.412 -4.578 341 HG23 VAL 44 2HG2 VAL 44 -8.079 1.393 -6.291 342 H GLU 45 HN GLU 45 -12.196 4.975 -5.418 343 HA GLU 45 HA GLU 45 -14.721 3.575 -5.270 344 HB2 GLU 45 2HB GLU 45 -14.186 6.356 -6.327 345 HB3 GLU 45 3HB GLU 45 -15.736 5.694 -5.834 346 HG2 GLU 45 2HG GLU 45 -13.397 6.367 -4.072 347 HG3 GLU 45 3HG GLU 45 -14.959 7.180 -4.140 348 HA PRO 46 HA PRO 46 -14.827 2.106 -9.416 349 HB2 PRO 46 2HB PRO 46 -17.481 2.505 -10.038 350 HB3 PRO 46 3HB PRO 46 -16.866 1.151 -9.084 351 HG2 PRO 46 2HG PRO 46 -18.105 3.713 -8.163 352 HG3 PRO 46 3HG PRO 46 -18.347 2.066 -7.550 353 HD2 PRO 46 2HD PRO 46 -16.774 3.817 -6.266 354 HD3 PRO 46 3HD PRO 46 -16.367 2.090 -6.342 355 H ASP 47 HN ASP 47 -15.300 5.350 -8.697 356 HA ASP 47 HA ASP 47 -15.673 6.086 -11.516 357 HB2 ASP 47 2HB ASP 47 -16.307 7.532 -8.960 358 HB3 ASP 47 3HB ASP 47 -16.161 8.399 -10.486 359 H GLU 48 HN GLU 48 -13.223 5.544 -9.518 360 HA GLU 48 HA GLU 48 -11.574 7.528 -10.909 361 HB2 GLU 48 2HB GLU 48 -10.239 7.963 -8.921 362 HB3 GLU 48 3HB GLU 48 -11.917 8.396 -8.644 363 HG2 GLU 48 2HG GLU 48 -12.190 6.190 -7.487 364 HG3 GLU 48 3HG GLU 48 -10.438 6.001 -7.602 365 H SER 49 HN SER 49 -9.316 6.900 -11.103 366 HA SER 49 HA SER 49 -9.181 4.031 -11.512 367 HB2 SER 49 2HB SER 49 -8.547 5.572 -13.352 368 HB3 SER 49 3HB SER 49 -7.221 6.172 -12.359 369 HG SER 49 HG SER 49 -6.447 4.584 -13.748 370 H GLN 50 HN GLN 50 -7.007 2.986 -11.102 371 HA GLN 50 HA GLN 50 -6.584 2.936 -8.335 372 HB2 GLN 50 2HB GLN 50 -4.900 1.838 -10.588 373 HB3 GLN 50 3HB GLN 50 -4.647 1.457 -8.889 374 HG2 GLN 50 2HG GLN 50 -6.885 0.480 -8.768 375 HG3 GLN 50 3HG GLN 50 -7.142 0.860 -10.470 376 HE21 GLN 50 1HE2 GLN 50 -7.494 -1.329 -10.932 377 HE22 GLN 50 2HE2 GLN 50 -6.178 -2.452 -11.018 378 H ARG 51 HN ARG 51 -4.645 4.394 -10.937 379 HA ARG 51 HA ARG 51 -2.548 5.318 -9.278 380 HB2 ARG 51 2HB ARG 51 -3.538 6.685 -11.780 381 HB3 ARG 51 3HB ARG 51 -1.939 6.789 -11.072 382 HG2 ARG 51 2HG ARG 51 -1.630 4.367 -11.582 383 HG3 ARG 51 3HG ARG 51 -3.157 4.424 -12.468 384 HD2 ARG 51 2HD ARG 51 -2.234 6.246 -13.863 385 HD3 ARG 51 3HD ARG 51 -0.698 6.076 -13.021 386 HE ARG 51 HE ARG 51 -1.657 3.641 -14.244 387 HH11 ARG 51 2HH1 ARG 51 0.218 6.572 -14.690 388 HH12 ARG 51 1HH1 ARG 51 1.155 5.922 -16.008 389 HH21 ARG 51 2HH2 ARG 51 -0.447 2.796 -15.979 390 HH22 ARG 51 1HH2 ARG 51 0.761 3.778 -16.754 391 H GLN 52 HN GLN 52 -5.605 6.681 -10.305 392 HA GLN 52 HA GLN 52 -5.181 9.307 -9.353 393 HB2 GLN 52 2HB GLN 52 -6.805 9.014 -11.036 394 HB3 GLN 52 3HB GLN 52 -7.603 7.714 -10.163 395 HG2 GLN 52 2HG GLN 52 -8.527 9.235 -8.593 396 HG3 GLN 52 3HG GLN 52 -7.559 10.569 -9.224 397 HE21 GLN 52 1HE2 GLN 52 -9.366 11.816 -9.667 398 HE22 GLN 52 2HE2 GLN 52 -10.428 11.469 -10.989 399 H ALA 53 HN ALA 53 -6.719 6.440 -8.002 400 HA ALA 53 HA ALA 53 -7.715 7.611 -5.650 401 HB1 ALA 53 1HB ALA 53 -8.436 5.417 -6.431 402 HB2 ALA 53 2HB ALA 53 -6.826 4.765 -6.115 403 HB3 ALA 53 3HB ALA 53 -7.829 5.329 -4.777 404 H LEU 54 HN LEU 54 -4.587 6.018 -6.334 405 HA LEU 54 HA LEU 54 -3.569 6.156 -3.721 406 HB2 LEU 54 2HB LEU 54 -2.267 6.050 -6.434 407 HB3 LEU 54 3HB LEU 54 -1.318 6.134 -4.960 408 HG LEU 54 HG LEU 54 -3.360 3.971 -5.391 409 HD11 LEU 54 1HD1 LEU 54 -1.816 3.833 -7.256 410 HD12 LEU 54 2HD1 LEU 54 -0.440 3.951 -6.157 411 HD13 LEU 54 3HD1 LEU 54 -1.491 2.535 -6.106 412 HD21 LEU 54 3HD2 LEU 54 -0.891 4.159 -3.673 413 HD22 LEU 54 1HD2 LEU 54 -2.544 4.402 -3.112 414 HD23 LEU 54 2HD2 LEU 54 -2.040 2.824 -3.714 415 H VAL 55 HN VAL 55 -3.294 8.363 -6.463 416 HA VAL 55 HA VAL 55 -1.562 10.221 -5.296 417 HB VAL 55 HB VAL 55 -3.642 10.575 -7.460 418 HG11 VAL 55 1HG1 VAL 55 -2.510 12.676 -8.021 419 HG12 VAL 55 2HG1 VAL 55 -3.211 12.738 -6.403 420 HG13 VAL 55 3HG1 VAL 55 -1.475 12.499 -6.604 421 HG21 VAL 55 3HG2 VAL 55 -1.812 9.051 -7.992 422 HG22 VAL 55 1HG2 VAL 55 -1.707 10.530 -8.949 423 HG23 VAL 55 2HG2 VAL 55 -0.638 10.298 -7.563 424 H ARG 56 HN ARG 56 -5.134 10.189 -5.401 425 HA ARG 56 HA ARG 56 -5.313 12.645 -3.973 426 HB2 ARG 56 2HB ARG 56 -7.715 12.221 -3.812 427 HB3 ARG 56 3HB ARG 56 -7.116 12.002 -5.443 428 HG2 ARG 56 2HG ARG 56 -8.434 10.187 -5.357 429 HG3 ARG 56 3HG ARG 56 -7.011 9.463 -4.608 430 HD2 ARG 56 2HD ARG 56 -7.926 9.554 -2.481 431 HD3 ARG 56 3HD ARG 56 -9.054 10.839 -2.914 432 HE ARG 56 HE ARG 56 -9.702 8.574 -4.429 433 HH11 ARG 56 2HH1 ARG 56 -9.646 9.504 -1.043 434 HH12 ARG 56 1HH1 ARG 56 -11.040 8.553 -0.637 435 HH21 ARG 56 2HH2 ARG 56 -11.556 7.354 -3.890 436 HH22 ARG 56 1HH2 ARG 56 -12.128 7.335 -2.241 437 H GLU 57 HN GLU 57 -5.572 9.247 -2.966 438 HA GLU 57 HA GLU 57 -6.284 9.726 -0.309 439 HB2 GLU 57 2HB GLU 57 -4.745 7.464 -1.573 440 HB3 GLU 57 3HB GLU 57 -5.166 7.478 0.133 441 HG2 GLU 57 2HG GLU 57 -7.147 7.658 -2.121 442 HG3 GLU 57 3HG GLU 57 -6.719 6.174 -1.272 443 H LEU 58 HN LEU 58 -3.021 9.397 -1.726 444 HA LEU 58 HA LEU 58 -1.683 9.771 0.751 445 HB2 LEU 58 2HB LEU 58 -0.584 10.487 -1.949 446 HB3 LEU 58 3HB LEU 58 0.322 10.099 -0.504 447 HG LEU 58 HG LEU 58 -1.303 8.204 -2.181 448 HD11 LEU 58 1HD1 LEU 58 0.883 8.809 -3.083 449 HD12 LEU 58 2HD1 LEU 58 1.642 8.331 -1.564 450 HD13 LEU 58 3HD1 LEU 58 0.837 7.123 -2.568 451 HD21 LEU 58 3HD2 LEU 58 -0.644 6.459 -0.641 452 HD22 LEU 58 1HD2 LEU 58 0.177 7.640 0.380 453 HD23 LEU 58 2HD2 LEU 58 -1.577 7.697 0.198 454 H ARG 59 HN ARG 59 -2.792 11.975 -1.758 455 HA ARG 59 HA ARG 59 -1.687 14.315 -0.754 456 HB2 ARG 59 2HB ARG 59 -2.813 14.155 -2.924 457 HB3 ARG 59 3HB ARG 59 -4.359 13.948 -2.108 458 HG2 ARG 59 2HG ARG 59 -4.291 16.144 -1.239 459 HG3 ARG 59 3HG ARG 59 -2.623 16.371 -1.765 460 HD2 ARG 59 2HD ARG 59 -3.721 15.771 -4.121 461 HD3 ARG 59 3HD ARG 59 -5.142 16.445 -3.326 462 HE ARG 59 HE ARG 59 -2.876 18.149 -3.029 463 HH11 ARG 59 2HH1 ARG 59 -5.418 17.183 -5.220 464 HH12 ARG 59 1HH1 ARG 59 -5.302 18.606 -6.212 465 HH21 ARG 59 2HH2 ARG 59 -2.704 20.047 -4.330 466 HH22 ARG 59 1HH2 ARG 59 -3.749 20.228 -5.718 467 H GLU 60 HN GLU 60 -4.536 12.538 0.273 468 HA GLU 60 HA GLU 60 -5.342 14.684 2.041 469 HB2 GLU 60 2HB GLU 60 -6.536 11.923 1.751 470 HB3 GLU 60 3HB GLU 60 -7.252 13.281 2.606 471 HG2 GLU 60 2HG GLU 60 -7.149 14.490 0.347 472 HG3 GLU 60 3HG GLU 60 -6.897 12.890 -0.336 473 H GLU 61 HN GLU 61 -3.870 11.485 2.279 474 HA GLU 61 HA GLU 61 -3.866 11.611 5.188 475 HB2 GLU 61 2HB GLU 61 -2.882 9.598 3.198 476 HB3 GLU 61 3HB GLU 61 -2.298 9.558 4.853 477 HG2 GLU 61 2HG GLU 61 -4.936 9.660 5.294 478 HG3 GLU 61 3HG GLU 61 -4.888 8.783 3.757 479 H LEU 62 HN LEU 62 -1.439 11.614 2.586 480 HA LEU 62 HA LEU 62 0.635 12.026 4.614 481 HB2 LEU 62 2HB LEU 62 0.972 11.325 1.704 482 HB3 LEU 62 3HB LEU 62 2.203 11.266 2.946 483 HG LEU 62 HG LEU 62 -0.205 9.449 2.743 484 HD11 LEU 62 1HD1 LEU 62 1.430 7.728 2.232 485 HD12 LEU 62 2HD1 LEU 62 1.523 9.037 1.055 486 HD13 LEU 62 3HD1 LEU 62 2.733 8.911 2.331 487 HD21 LEU 62 3HD2 LEU 62 0.409 9.855 5.073 488 HD22 LEU 62 1HD2 LEU 62 0.827 8.213 4.585 489 HD23 LEU 62 2HD2 LEU 62 2.085 9.442 4.711 490 H GLY 63 HN GLY 63 -1.247 14.009 2.938 491 HA2 GLY 63 2HA GLY 63 -1.064 15.990 1.811 492 HA3 GLY 63 3HA GLY 63 0.238 16.272 2.951 493 H ILE 64 HN ILE 64 0.407 13.786 0.430 494 HA ILE 64 HA ILE 64 2.397 15.493 -0.914 495 HB ILE 64 HB ILE 64 3.683 13.502 -1.556 496 HG12 ILE 64 2HG1 ILE 64 1.902 11.993 0.364 497 HG13 ILE 64 3HG1 ILE 64 1.837 11.851 -1.387 498 HG21 ILE 64 1HG2 ILE 64 4.329 14.796 0.408 499 HG22 ILE 64 2HG2 ILE 64 3.335 13.753 1.422 500 HG23 ILE 64 3HG2 ILE 64 4.741 13.088 0.588 501 HD11 ILE 64 3HD1 ILE 64 3.061 9.999 -0.440 502 HD12 ILE 64 1HD1 ILE 64 4.148 11.019 -1.383 503 HD13 ILE 64 2HD1 ILE 64 4.163 11.109 0.376 504 H GLU 65 HN GLU 65 2.428 15.563 -3.071 505 HA GLU 65 HA GLU 65 0.238 14.267 -4.507 506 HB2 GLU 65 2HB GLU 65 2.122 16.518 -5.202 507 HB3 GLU 65 3HB GLU 65 1.032 15.803 -6.380 508 HG2 GLU 65 2HG GLU 65 -0.880 16.450 -5.042 509 HG3 GLU 65 3HG GLU 65 0.188 17.104 -3.802 510 H ALA 66 HN ALA 66 0.841 12.226 -4.971 511 HA ALA 66 HA ALA 66 3.608 11.648 -5.605 512 HB1 ALA 66 1HB ALA 66 2.979 9.326 -5.392 513 HB2 ALA 66 2HB ALA 66 2.374 10.248 -4.015 514 HB3 ALA 66 3HB ALA 66 1.274 9.772 -5.310 515 H THR 67 HN THR 67 4.247 10.408 -7.415 516 HA THR 67 HA THR 67 2.497 10.708 -9.768 517 HB THR 67 HB THR 67 5.519 10.461 -9.711 518 HG1 THR 67 1HG THR 67 5.450 12.532 -9.270 519 HG21 THR 67 3HG2 THR 67 4.536 9.615 -11.774 520 HG22 THR 67 1HG2 THR 67 5.371 11.138 -12.073 521 HG23 THR 67 2HG2 THR 67 3.612 11.106 -11.965 522 H VAL 68 HN VAL 68 1.593 8.800 -10.347 523 HA VAL 68 HA VAL 68 2.784 6.324 -9.370 524 HB VAL 68 HB VAL 68 0.182 6.753 -10.854 525 HG11 VAL 68 1HG1 VAL 68 -0.406 4.529 -9.996 526 HG12 VAL 68 2HG1 VAL 68 0.997 4.477 -11.064 527 HG13 VAL 68 3HG1 VAL 68 1.214 4.371 -9.317 528 HG21 VAL 68 3HG2 VAL 68 0.173 7.926 -8.726 529 HG22 VAL 68 1HG2 VAL 68 -0.886 6.516 -8.660 530 HG23 VAL 68 2HG2 VAL 68 0.707 6.461 -7.900 531 H GLY 69 HN GLY 69 3.794 4.839 -10.632 532 HA2 GLY 69 2HA GLY 69 3.363 4.368 -13.334 533 HA3 GLY 69 3HA GLY 69 4.661 5.543 -13.226 534 H GLU 70 HN GLU 70 3.691 2.432 -11.738 535 HA GLU 70 HA GLU 70 5.448 0.676 -12.386 536 HB2 GLU 70 2HB GLU 70 7.426 0.702 -10.929 537 HB3 GLU 70 3HB GLU 70 7.406 2.068 -12.026 538 HG2 GLU 70 2HG GLU 70 6.754 3.548 -10.248 539 HG3 GLU 70 3HG GLU 70 6.598 2.191 -9.130 540 H TYR 71 HN TYR 71 4.014 -0.772 -11.638 541 HA TYR 71 HA TYR 71 3.200 -0.624 -8.837 542 HB2 TYR 71 2HB TYR 71 2.104 -1.998 -11.265 543 HB3 TYR 71 3HB TYR 71 1.629 -2.518 -9.657 544 HD1 TYR 71 1HD TYR 71 0.429 -0.954 -8.155 545 HD2 TYR 71 2HD TYR 71 1.250 0.030 -12.213 546 HE1 TYR 71 1HE TYR 71 -1.253 0.835 -8.054 547 HE2 TYR 71 2HE TYR 71 -0.437 1.819 -12.126 548 HH TYR 71 HH TYR 71 -1.808 2.904 -9.186 549 H VAL 72 HN VAL 72 3.393 -2.365 -7.418 550 HA VAL 72 HA VAL 72 5.769 -3.974 -7.960 551 HB VAL 72 HB VAL 72 4.249 -3.576 -5.380 552 HG11 VAL 72 1HG1 VAL 72 6.261 -4.482 -4.311 553 HG12 VAL 72 2HG1 VAL 72 5.512 -5.654 -5.394 554 HG13 VAL 72 3HG1 VAL 72 6.962 -4.786 -5.900 555 HG21 VAL 72 3HG2 VAL 72 6.782 -2.266 -6.362 556 HG22 VAL 72 1HG2 VAL 72 5.205 -1.491 -6.210 557 HG23 VAL 72 2HG2 VAL 72 6.055 -2.050 -4.769 558 H ALA 73 HN ALA 73 2.790 -4.676 -6.106 559 HA ALA 73 HA ALA 73 2.310 -7.062 -7.696 560 HB1 ALA 73 1HB ALA 73 4.005 -7.853 -6.137 561 HB2 ALA 73 2HB ALA 73 3.030 -7.300 -4.774 562 HB3 ALA 73 3HB ALA 73 2.447 -8.607 -5.805 563 H SER 74 HN SER 74 0.406 -8.334 -6.725 564 HA SER 74 HA SER 74 -1.439 -6.537 -5.298 565 HB2 SER 74 2HB SER 74 -2.208 -8.357 -7.591 566 HB3 SER 74 3HB SER 74 -3.286 -7.286 -6.704 567 HG SER 74 HG SER 74 -1.394 -6.708 -8.662 568 H HIS 75 HN HIS 75 -2.958 -7.583 -3.942 569 HA HIS 75 HA HIS 75 -2.830 -10.491 -3.735 570 HB2 HIS 75 2HB HIS 75 -1.133 -9.563 -2.124 571 HB3 HIS 75 3HB HIS 75 -2.454 -8.752 -1.290 572 HD1 HIS 75 1HD HIS 75 -1.265 -12.266 -2.129 573 HD2 HIS 75 2HD HIS 75 -3.793 -10.300 0.529 574 HE1 HIS 75 1HE HIS 75 -2.025 -14.015 -0.490 575 HE2 HIS 75 2HE HIS 75 -3.674 -12.840 1.013 576 H GLN 76 HN GLN 76 -4.685 -11.395 -2.826 577 HA GLN 76 HA GLN 76 -6.913 -9.506 -2.421 578 HB2 GLN 76 2HB GLN 76 -6.798 -12.253 -3.592 579 HB3 GLN 76 3HB GLN 76 -8.287 -11.701 -2.835 580 HG2 GLN 76 2HG GLN 76 -8.388 -9.816 -4.347 581 HG3 GLN 76 3HG GLN 76 -6.869 -10.303 -5.098 582 HE21 GLN 76 1HE2 GLN 76 -7.770 -10.594 -7.128 583 HE22 GLN 76 2HE2 GLN 76 -8.853 -11.887 -7.495 584 H ARG 77 HN ARG 77 -8.146 -9.596 -0.648 585 HA ARG 77 HA ARG 77 -7.953 -11.853 1.183 586 HB2 ARG 77 2HB ARG 77 -7.519 -10.518 3.133 587 HB3 ARG 77 3HB ARG 77 -6.267 -10.139 1.963 588 HG2 ARG 77 2HG ARG 77 -7.633 -8.104 1.344 589 HG3 ARG 77 3HG ARG 77 -8.621 -8.450 2.768 590 HD2 ARG 77 2HD ARG 77 -6.502 -8.425 4.121 591 HD3 ARG 77 3HD ARG 77 -5.673 -7.862 2.682 592 HE ARG 77 HE ARG 77 -7.914 -6.233 3.493 593 HH11 ARG 77 2HH1 ARG 77 -4.451 -6.753 3.694 594 HH12 ARG 77 1HH1 ARG 77 -4.084 -5.131 4.185 595 HH21 ARG 77 2HH2 ARG 77 -7.434 -4.070 4.173 596 HH22 ARG 77 1HH2 ARG 77 -5.786 -3.611 4.463 597 H GLU 78 HN GLU 78 -9.846 -11.582 2.868 598 HA GLU 78 HA GLU 78 -11.966 -10.083 1.464 599 HB2 GLU 78 2HB GLU 78 -13.547 -11.765 1.894 600 HB3 GLU 78 3HB GLU 78 -12.113 -12.602 1.324 601 HG2 GLU 78 2HG GLU 78 -11.536 -13.149 3.649 602 HG3 GLU 78 3HG GLU 78 -13.019 -12.347 4.176 603 H VAL 79 HN VAL 79 -13.562 -9.073 2.621 604 HA VAL 79 HA VAL 79 -13.167 -8.931 5.528 605 HB VAL 79 HB VAL 79 -12.502 -6.786 4.738 606 HG11 VAL 79 1HG1 VAL 79 -13.337 -6.735 2.514 607 HG12 VAL 79 2HG1 VAL 79 -15.010 -6.798 3.080 608 HG13 VAL 79 3HG1 VAL 79 -14.032 -5.359 3.368 609 HG21 VAL 79 3HG2 VAL 79 -14.195 -5.294 5.721 610 HG22 VAL 79 1HG2 VAL 79 -15.331 -6.641 5.757 611 HG23 VAL 79 2HG2 VAL 79 -13.859 -6.704 6.726 612 H SER 80 HN SER 80 -14.672 -10.366 6.115 613 HA SER 80 HA SER 80 -16.622 -11.523 6.240 614 HB2 SER 80 2HB SER 80 -18.586 -10.038 6.808 615 HB3 SER 80 3HB SER 80 -17.135 -9.781 7.774 616 HG SER 80 HG SER 80 -17.263 -8.234 5.503 617 H GLY 81 HN GLY 81 -16.306 -12.247 3.956 618 HA2 GLY 81 2HA GLY 81 -17.566 -13.044 2.196 619 HA3 GLY 81 3HA GLY 81 -18.826 -11.892 2.598 620 H ARG 82 HN ARG 82 -16.674 -9.694 2.454 621 HA ARG 82 HA ARG 82 -16.963 -9.308 -0.434 622 HB2 ARG 82 2HB ARG 82 -16.015 -7.376 1.694 623 HB3 ARG 82 3HB ARG 82 -16.335 -6.978 0.011 624 HG2 ARG 82 2HG ARG 82 -18.688 -7.547 0.331 625 HG3 ARG 82 3HG ARG 82 -18.365 -7.930 2.021 626 HD2 ARG 82 2HD ARG 82 -17.573 -5.601 2.340 627 HD3 ARG 82 3HD ARG 82 -18.051 -5.248 0.682 628 HE ARG 82 HE ARG 82 -20.327 -5.510 1.309 629 HH11 ARG 82 2HH1 ARG 82 -18.073 -5.598 3.987 630 HH12 ARG 82 1HH1 ARG 82 -19.284 -5.314 5.196 631 HH21 ARG 82 2HH2 ARG 82 -21.932 -5.117 2.897 632 HH22 ARG 82 1HH2 ARG 82 -21.490 -5.079 4.575 633 H ILE 83 HN ILE 83 -15.236 -9.095 -1.828 634 HA ILE 83 HA ILE 83 -12.716 -10.123 -0.748 635 HB ILE 83 HB ILE 83 -13.816 -10.030 -3.553 636 HG12 ILE 83 2HG1 ILE 83 -13.326 -12.499 -3.413 637 HG13 ILE 83 3HG1 ILE 83 -12.921 -12.264 -1.717 638 HG21 ILE 83 1HG2 ILE 83 -11.710 -11.019 -4.333 639 HG22 ILE 83 2HG2 ILE 83 -11.482 -9.385 -3.712 640 HG23 ILE 83 3HG2 ILE 83 -11.012 -10.773 -2.734 641 HD11 ILE 83 3HD1 ILE 83 -15.607 -11.731 -2.971 642 HD12 ILE 83 1HD1 ILE 83 -15.172 -13.147 -2.010 643 HD13 ILE 83 2HD1 ILE 83 -15.196 -11.548 -1.264 644 H ILE 84 HN ILE 84 -11.219 -8.719 -0.246 645 HA ILE 84 HA ILE 84 -11.224 -6.059 -1.421 646 HB ILE 84 HB ILE 84 -9.034 -6.666 0.432 647 HG12 ILE 84 2HG1 ILE 84 -11.887 -7.157 1.226 648 HG13 ILE 84 3HG1 ILE 84 -10.441 -8.065 1.665 649 HG21 ILE 84 1HG2 ILE 84 -11.247 -4.658 0.695 650 HG22 ILE 84 2HG2 ILE 84 -9.618 -4.583 1.367 651 HG23 ILE 84 3HG2 ILE 84 -9.857 -4.411 -0.376 652 HD11 ILE 84 3HD1 ILE 84 -11.311 -5.377 2.703 653 HD12 ILE 84 1HD1 ILE 84 -11.188 -6.905 3.595 654 HD13 ILE 84 2HD1 ILE 84 -9.726 -6.100 3.032 655 H HIS 85 HN HIS 85 -9.868 -5.389 -2.907 656 HA HIS 85 HA HIS 85 -7.775 -7.241 -3.838 657 HB2 HIS 85 2HB HIS 85 -9.397 -6.980 -5.559 658 HB3 HIS 85 3HB HIS 85 -9.525 -5.254 -5.287 659 HD1 HIS 85 1HD HIS 85 -8.609 -4.055 -7.242 660 HD2 HIS 85 2HD HIS 85 -6.422 -7.488 -6.368 661 HE1 HIS 85 1HE HIS 85 -6.715 -4.090 -8.885 662 HE2 HIS 85 2HE HIS 85 -5.595 -6.314 -8.526 663 H LEU 86 HN LEU 86 -5.860 -6.578 -3.013 664 HA LEU 86 HA LEU 86 -5.359 -3.702 -2.769 665 HB2 LEU 86 2HB LEU 86 -4.170 -6.130 -1.489 666 HB3 LEU 86 3HB LEU 86 -3.251 -4.641 -1.543 667 HG LEU 86 HG LEU 86 -5.318 -3.561 -0.435 668 HD11 LEU 86 1HD1 LEU 86 -5.842 -6.456 0.211 669 HD12 LEU 86 2HD1 LEU 86 -6.642 -5.068 0.948 670 HD13 LEU 86 3HD1 LEU 86 -6.867 -5.404 -0.768 671 HD21 LEU 86 3HD2 LEU 86 -4.527 -4.226 1.789 672 HD22 LEU 86 1HD2 LEU 86 -3.583 -5.521 1.052 673 HD23 LEU 86 2HD2 LEU 86 -3.202 -3.836 0.691 674 H HIS 87 HN HIS 87 -4.052 -2.702 -4.138 675 HA HIS 87 HA HIS 87 -2.124 -4.338 -5.673 676 HB2 HIS 87 2HB HIS 87 -4.072 -3.187 -6.949 677 HB3 HIS 87 3HB HIS 87 -3.205 -1.688 -6.637 678 HD1 HIS 87 1HD HIS 87 -3.408 -2.065 -9.465 679 HD2 HIS 87 2HD HIS 87 -0.490 -4.107 -7.322 680 HE1 HIS 87 1HE HIS 87 -1.724 -2.822 -11.166 681 HE2 HIS 87 2HE HIS 87 -0.136 -4.290 -9.878 682 H ALA 88 HN ALA 88 -0.115 -3.955 -5.040 683 HA ALA 88 HA ALA 88 0.509 -1.563 -3.504 684 HB1 ALA 88 1HB ALA 88 2.625 -2.652 -3.010 685 HB2 ALA 88 2HB ALA 88 1.281 -3.753 -2.705 686 HB3 ALA 88 3HB ALA 88 2.256 -3.933 -4.164 687 H TRP 89 HN TRP 89 1.697 0.096 -4.165 688 HA TRP 89 HA TRP 89 3.030 -0.057 -6.781 689 HB2 TRP 89 2HB TRP 89 1.174 1.173 -7.392 690 HB3 TRP 89 3HB TRP 89 0.970 1.860 -5.787 691 HD1 TRP 89 1HD TRP 89 3.304 2.291 -8.864 692 HE1 TRP 89 1HE TRP 89 4.057 4.752 -8.922 693 HE3 TRP 89 3HE TRP 89 1.097 3.931 -4.561 694 HZ2 TRP 89 2HZ TRP 89 3.735 7.081 -7.371 695 HZ3 TRP 89 3HZ TRP 89 1.360 6.288 -3.924 696 HH2 TRP 89 2HH TRP 89 2.652 7.829 -5.300 697 H HIS 90 HN HIS 90 5.027 0.817 -6.869 698 HA HIS 90 HA HIS 90 6.124 1.981 -4.419 699 HB2 HIS 90 2HB HIS 90 7.458 0.221 -5.426 700 HB3 HIS 90 3HB HIS 90 7.435 1.040 -6.983 701 HD1 HIS 90 1HD HIS 90 9.412 2.430 -7.481 702 HD2 HIS 90 2HD HIS 90 8.945 1.802 -3.398 703 HE1 HIS 90 1HE HIS 90 11.417 3.490 -6.395 704 HE2 HIS 90 2HE HIS 90 11.242 2.867 -3.963 705 H VAL 91 HN VAL 91 6.656 4.118 -4.253 706 HA VAL 91 HA VAL 91 5.689 5.795 -6.418 707 HB VAL 91 HB VAL 91 4.900 6.336 -4.207 708 HG11 VAL 91 1HG1 VAL 91 7.788 6.722 -3.454 709 HG12 VAL 91 2HG1 VAL 91 6.406 7.174 -2.453 710 HG13 VAL 91 3HG1 VAL 91 6.691 5.479 -2.850 711 HG21 VAL 91 3HG2 VAL 91 5.489 8.705 -4.094 712 HG22 VAL 91 1HG2 VAL 91 6.846 8.418 -5.183 713 HG23 VAL 91 2HG2 VAL 91 5.192 8.187 -5.752 714 HA PRO 92 HA PRO 92 9.940 6.395 -7.755 715 HB2 PRO 92 2HB PRO 92 9.288 7.586 -10.100 716 HB3 PRO 92 3HB PRO 92 9.238 5.833 -9.871 717 HG2 PRO 92 2HG PRO 92 7.000 7.818 -9.839 718 HG3 PRO 92 3HG PRO 92 7.044 6.189 -10.543 719 HD2 PRO 92 2HD PRO 92 5.882 6.765 -8.140 720 HD3 PRO 92 3HD PRO 92 6.577 5.182 -8.538 721 H ASP 93 HN ASP 93 7.341 8.728 -7.515 722 HA ASP 93 HA ASP 93 9.157 10.770 -6.600 723 HB2 ASP 93 2HB ASP 93 9.366 11.121 -9.001 724 HB3 ASP 93 3HB ASP 93 7.617 11.131 -9.173 725 H PHE 94 HN PHE 94 8.153 12.257 -5.363 726 HA PHE 94 HA PHE 94 5.267 12.565 -5.454 727 HB2 PHE 94 2HB PHE 94 5.007 12.252 -3.021 728 HB3 PHE 94 3HB PHE 94 5.538 10.776 -3.811 729 HD1 PHE 94 2HD PHE 94 7.927 10.068 -3.599 730 HD2 PHE 94 1HD PHE 94 6.279 13.262 -1.321 731 HE1 PHE 94 2HE PHE 94 9.804 9.903 -2.020 732 HE2 PHE 94 1HE PHE 94 8.152 13.101 0.266 733 HZ PHE 94 HZ PHE 94 9.916 11.418 -0.082 734 H HIS 95 HN HIS 95 4.588 14.585 -4.849 735 HA HIS 95 HA HIS 95 6.733 16.487 -4.175 736 HB2 HIS 95 2HB HIS 95 4.084 16.915 -5.582 737 HB3 HIS 95 3HB HIS 95 5.223 18.196 -5.196 738 HD1 HIS 95 1HD HIS 95 4.253 16.129 -7.913 739 HD2 HIS 95 2HD HIS 95 7.906 17.505 -6.470 740 HE1 HIS 95 1HE HIS 95 5.867 15.909 -9.826 741 HE2 HIS 95 2HE HIS 95 8.111 16.505 -8.846 742 H GLY 96 HN GLY 96 6.705 17.233 -2.144 743 HA2 GLY 96 2HA GLY 96 5.183 18.660 -0.687 744 HA3 GLY 96 3HA GLY 96 4.126 17.256 -0.715 745 H THR 97 HN THR 97 4.410 17.524 1.676 746 HA THR 97 HA THR 97 6.832 16.112 2.578 747 HB THR 97 HB THR 97 5.181 18.104 4.158 748 HG1 THR 97 1HG THR 97 6.596 18.940 2.398 749 HG21 THR 97 3HG2 THR 97 6.212 16.383 5.555 750 HG22 THR 97 1HG2 THR 97 6.989 17.946 5.806 751 HG23 THR 97 2HG2 THR 97 7.780 16.715 4.820 752 H LEU 98 HN LEU 98 6.446 14.189 3.496 753 HA LEU 98 HA LEU 98 3.704 13.301 3.442 754 HB2 LEU 98 2HB LEU 98 4.816 11.084 4.231 755 HB3 LEU 98 3HB LEU 98 4.983 11.639 2.577 756 HG LEU 98 HG LEU 98 7.195 12.738 3.612 757 HD11 LEU 98 1HD1 LEU 98 6.770 10.232 5.231 758 HD12 LEU 98 2HD1 LEU 98 8.252 11.186 5.157 759 HD13 LEU 98 3HD1 LEU 98 6.791 11.880 5.859 760 HD21 LEU 98 3HD2 LEU 98 8.396 10.857 2.662 761 HD22 LEU 98 1HD2 LEU 98 6.932 9.872 2.716 762 HD23 LEU 98 2HD2 LEU 98 7.008 11.282 1.655 763 H GLN 99 HN GLN 99 2.357 13.172 4.999 764 HA GLN 99 HA GLN 99 3.307 13.222 7.774 765 HB2 GLN 99 2HB GLN 99 1.725 14.931 8.348 766 HB3 GLN 99 3HB GLN 99 2.618 15.502 6.938 767 HG2 GLN 99 2HG GLN 99 0.749 14.868 5.500 768 HG3 GLN 99 3HG GLN 99 -0.149 14.309 6.912 769 HE21 GLN 99 1HE2 GLN 99 -1.814 15.796 6.545 770 HE22 GLN 99 2HE2 GLN 99 -1.610 17.480 6.875 771 H ALA 100 HN ALA 100 1.422 12.643 9.290 772 HA ALA 100 HA ALA 100 -0.212 10.563 7.977 773 HB1 ALA 100 1HB ALA 100 1.351 9.683 9.622 774 HB2 ALA 100 2HB ALA 100 0.663 10.736 10.855 775 HB3 ALA 100 3HB ALA 100 -0.314 9.452 10.147 776 H HIS 101 HN HIS 101 -2.290 11.009 7.767 777 HA HIS 101 HA HIS 101 -3.521 12.863 9.692 778 HB2 HIS 101 2HB HIS 101 -3.507 13.445 7.191 779 HB3 HIS 101 3HB HIS 101 -4.673 12.140 7.001 780 HD1 HIS 101 1HD HIS 101 -7.078 12.538 7.865 781 HD2 HIS 101 2HD HIS 101 -4.467 15.711 8.553 782 HE1 HIS 101 1HE HIS 101 -8.513 14.459 8.621 783 HE2 HIS 101 2HE HIS 101 -6.886 16.280 9.242 784 H GLU 102 HN GLU 102 -4.365 10.052 7.668 785 HA GLU 102 HA GLU 102 -6.537 9.357 9.444 786 HB2 GLU 102 2HB GLU 102 -5.417 7.942 7.015 787 HB3 GLU 102 3HB GLU 102 -6.895 7.484 7.865 788 HG2 GLU 102 2HG GLU 102 -6.372 10.002 6.306 789 HG3 GLU 102 3HG GLU 102 -7.487 8.699 5.899 790 H HIS 103 HN HIS 103 -3.449 7.924 8.407 791 HA HIS 103 HA HIS 103 -3.460 6.053 10.615 792 HB2 HIS 103 2HB HIS 103 -1.307 6.813 8.624 793 HB3 HIS 103 3HB HIS 103 -1.097 5.594 9.872 794 HD1 HIS 103 1HD HIS 103 -3.229 6.248 6.776 795 HD2 HIS 103 2HD HIS 103 -1.966 3.089 9.186 796 HE1 HIS 103 1HE HIS 103 -3.990 4.147 5.617 797 HE2 HIS 103 2HE HIS 103 -3.305 2.247 7.131 798 H GLN 104 HN GLN 104 -1.510 6.109 12.206 799 HA GLN 104 HA GLN 104 -1.741 8.731 13.423 800 HB2 GLN 104 2HB GLN 104 -2.172 6.608 14.684 801 HB3 GLN 104 3HB GLN 104 -0.449 6.271 14.590 802 HG2 GLN 104 2HG GLN 104 -0.985 7.233 16.733 803 HG3 GLN 104 3HG GLN 104 0.013 8.352 15.805 804 HE21 GLN 104 1HE2 GLN 104 -0.674 10.157 16.924 805 HE22 GLN 104 2HE2 GLN 104 -2.269 10.801 16.757 806 H ALA 105 HN ALA 105 1.058 6.502 13.060 807 HA ALA 105 HA ALA 105 2.756 8.904 12.811 808 HB1 ALA 105 1HB ALA 105 2.959 7.979 15.066 809 HB2 ALA 105 2HB ALA 105 3.410 6.414 14.390 810 HB3 ALA 105 3HB ALA 105 4.467 7.808 14.167 811 H LEU 106 HN LEU 106 4.985 8.382 11.869 812 HA LEU 106 HA LEU 106 4.710 6.297 9.803 813 HB2 LEU 106 2HB LEU 106 6.177 8.929 9.567 814 HB3 LEU 106 3HB LEU 106 6.083 7.695 8.335 815 HG LEU 106 HG LEU 106 4.618 9.306 7.585 816 HD11 LEU 106 1HD1 LEU 106 2.876 7.440 9.177 817 HD12 LEU 106 2HD1 LEU 106 2.366 8.420 7.803 818 HD13 LEU 106 3HD1 LEU 106 3.546 7.128 7.575 819 HD21 LEU 106 3HD2 LEU 106 3.503 9.611 10.364 820 HD22 LEU 106 1HD2 LEU 106 4.692 10.678 9.617 821 HD23 LEU 106 2HD2 LEU 106 3.068 10.556 8.939 822 H VAL 107 HN VAL 107 6.419 4.910 9.591 823 HA VAL 107 HA VAL 107 8.996 5.760 10.738 824 HB VAL 107 HB VAL 107 7.904 4.068 12.210 825 HG11 VAL 107 1HG1 VAL 107 7.797 1.741 11.493 826 HG12 VAL 107 2HG1 VAL 107 6.745 2.762 10.513 827 HG13 VAL 107 3HG1 VAL 107 8.293 2.212 9.868 828 HG21 VAL 107 3HG2 VAL 107 9.872 2.658 12.472 829 HG22 VAL 107 1HG2 VAL 107 10.448 3.152 10.880 830 HG23 VAL 107 2HG2 VAL 107 10.327 4.336 12.181 831 H TRP 108 HN TRP 108 10.797 5.348 9.506 832 HA TRP 108 HA TRP 108 10.342 4.178 6.866 833 HB2 TRP 108 2HB TRP 108 12.575 5.880 7.972 834 HB3 TRP 108 3HB TRP 108 12.616 5.147 6.374 835 HD1 TRP 108 1HD TRP 108 11.079 8.025 8.307 836 HE1 TRP 108 1HE TRP 108 9.891 9.606 6.657 837 HE3 TRP 108 3HE TRP 108 11.323 5.128 4.101 838 HZ2 TRP 108 2HZ TRP 108 9.152 9.610 3.933 839 HZ3 TRP 108 3HZ TRP 108 10.351 5.995 2.014 840 HH2 TRP 108 2HH TRP 108 9.287 8.191 1.935 841 H CYS 109 HN CYS 109 10.682 2.050 6.799 842 HA CYS 109 HA CYS 109 13.200 1.073 7.969 843 HB2 CYS 109 2HB CYS 109 12.015 -1.104 8.393 844 HB3 CYS 109 3HB CYS 109 11.465 0.236 9.393 845 HG CYS 109 HG CYS 109 9.683 -0.057 6.601 846 H SER 110 HN SER 110 14.236 -0.579 6.823 847 HA SER 110 HA SER 110 14.196 -0.352 4.021 848 HB2 SER 110 2HB SER 110 15.328 -2.706 5.534 849 HB3 SER 110 3HB SER 110 15.932 -1.962 4.055 850 HG SER 110 HG SER 110 17.222 -0.986 5.403 851 HA PRO 111 HA PRO 111 11.189 -3.260 2.457 852 HB2 PRO 111 2HB PRO 111 12.930 -5.016 1.086 853 HB3 PRO 111 3HB PRO 111 12.062 -3.637 0.410 854 HG2 PRO 111 2HG PRO 111 14.879 -3.834 1.342 855 HG3 PRO 111 3HG PRO 111 14.186 -2.847 0.041 856 HD2 PRO 111 2HD PRO 111 14.917 -1.758 2.375 857 HD3 PRO 111 3HD PRO 111 13.469 -1.198 1.506 858 H GLU 112 HN GLU 112 14.193 -5.028 3.340 859 HA GLU 112 HA GLU 112 12.742 -7.345 4.117 860 HB2 GLU 112 2HB GLU 112 14.899 -8.122 5.095 861 HB3 GLU 112 3HB GLU 112 14.999 -7.641 3.411 862 HG2 GLU 112 2HG GLU 112 15.735 -5.735 5.596 863 HG3 GLU 112 3HG GLU 112 16.875 -6.951 5.026 864 H GLU 113 HN GLU 113 13.699 -4.475 5.810 865 HA GLU 113 HA GLU 113 13.308 -5.503 8.442 866 HB2 GLU 113 2HB GLU 113 13.256 -2.651 7.443 867 HB3 GLU 113 3HB GLU 113 13.309 -3.131 9.132 868 HG2 GLU 113 2HG GLU 113 15.429 -3.633 7.059 869 HG3 GLU 113 3HG GLU 113 15.500 -2.473 8.385 870 H ALA 114 HN ALA 114 11.256 -3.944 6.067 871 HA ALA 114 HA ALA 114 9.099 -3.229 7.703 872 HB1 ALA 114 1HB ALA 114 7.799 -3.099 5.660 873 HB2 ALA 114 2HB ALA 114 9.410 -2.433 5.398 874 HB3 ALA 114 3HB ALA 114 9.013 -4.046 4.801 875 H LEU 115 HN LEU 115 9.837 -6.279 6.095 876 HA LEU 115 HA LEU 115 7.283 -7.430 6.636 877 HB2 LEU 115 2HB LEU 115 9.355 -8.028 4.960 878 HB3 LEU 115 3HB LEU 115 9.540 -9.261 6.190 879 HG LEU 115 HG LEU 115 8.148 -9.838 4.113 880 HD11 LEU 115 1HD1 LEU 115 8.184 -11.247 6.087 881 HD12 LEU 115 2HD1 LEU 115 6.947 -10.242 6.845 882 HD13 LEU 115 3HD1 LEU 115 6.561 -11.173 5.396 883 HD21 LEU 115 3HD2 LEU 115 6.862 -7.699 4.161 884 HD22 LEU 115 1HD2 LEU 115 5.860 -9.148 4.068 885 HD23 LEU 115 2HD2 LEU 115 6.032 -8.290 5.599 886 H GLN 116 HN GLN 116 10.065 -6.890 8.520 887 HA GLN 116 HA GLN 116 9.558 -9.010 10.410 888 HB2 GLN 116 2HB GLN 116 11.333 -6.570 10.628 889 HB3 GLN 116 3HB GLN 116 11.338 -7.948 11.719 890 HG2 GLN 116 2HG GLN 116 12.138 -9.391 9.974 891 HG3 GLN 116 3HG GLN 116 11.982 -8.102 8.782 892 HE21 GLN 116 1HE2 GLN 116 14.121 -8.121 8.206 893 HE22 GLN 116 2HE2 GLN 116 15.386 -7.579 9.252 894 H TYR 117 HN TYR 117 8.223 -6.034 9.705 895 HA TYR 117 HA TYR 117 7.469 -5.364 12.431 896 HB2 TYR 117 2HB TYR 117 7.188 -4.040 9.760 897 HB3 TYR 117 3HB TYR 117 6.063 -3.597 11.037 898 HD1 TYR 117 1HD TYR 117 9.661 -3.700 10.143 899 HD2 TYR 117 2HD TYR 117 6.699 -2.125 12.756 900 HE1 TYR 117 1HE TYR 117 11.310 -2.108 11.042 901 HE2 TYR 117 2HE TYR 117 8.333 -0.533 13.663 902 HH TYR 117 HH TYR 117 11.368 0.037 12.203 903 HA PRO 118 HA PRO 118 3.520 -7.352 12.189 904 HB2 PRO 118 2HB PRO 118 1.873 -5.642 13.490 905 HB3 PRO 118 3HB PRO 118 3.094 -6.612 14.323 906 HG2 PRO 118 2HG PRO 118 3.193 -3.736 13.500 907 HG3 PRO 118 3HG PRO 118 3.738 -4.489 15.009 908 HD2 PRO 118 2HD PRO 118 5.430 -3.822 12.986 909 HD3 PRO 118 3HD PRO 118 5.732 -5.173 14.096 910 H LEU 119 HN LEU 119 3.598 -6.965 9.825 911 HA LEU 119 HA LEU 119 1.876 -4.876 8.789 912 HB2 LEU 119 2HB LEU 119 3.348 -7.143 7.443 913 HB3 LEU 119 3HB LEU 119 2.347 -5.990 6.585 914 HG LEU 119 HG LEU 119 4.891 -5.360 8.098 915 HD11 LEU 119 1HD1 LEU 119 5.787 -4.855 5.894 916 HD12 LEU 119 2HD1 LEU 119 5.232 -6.527 5.973 917 HD13 LEU 119 3HD1 LEU 119 4.254 -5.311 5.150 918 HD21 LEU 119 3HD2 LEU 119 4.620 -3.096 7.228 919 HD22 LEU 119 1HD2 LEU 119 3.071 -3.546 6.512 920 HD23 LEU 119 2HD2 LEU 119 3.264 -3.538 8.265 921 H ALA 120 HN ALA 120 -0.024 -5.293 7.553 922 HA ALA 120 HA ALA 120 -1.771 -7.191 8.703 923 HB1 ALA 120 1HB ALA 120 -2.084 -5.625 6.143 924 HB2 ALA 120 2HB ALA 120 -3.375 -6.435 7.029 925 HB3 ALA 120 3HB ALA 120 -2.534 -5.063 7.753 926 HA PRO 121 HA PRO 121 -1.201 -10.997 6.662 927 HB2 PRO 121 2HB PRO 121 -3.762 -11.506 5.661 928 HB3 PRO 121 3HB PRO 121 -3.172 -11.911 7.275 929 HG2 PRO 121 2HG PRO 121 -4.784 -9.566 6.373 930 HG3 PRO 121 3HG PRO 121 -4.900 -10.499 7.877 931 HD2 PRO 121 2HD PRO 121 -3.751 -8.094 7.847 932 HD3 PRO 121 3HD PRO 121 -3.075 -9.408 8.833 933 H ALA 122 HN ALA 122 -2.812 -8.540 4.701 934 HA ALA 122 HA ALA 122 -2.176 -10.011 2.260 935 HB1 ALA 122 1HB ALA 122 -3.709 -7.464 2.696 936 HB2 ALA 122 2HB ALA 122 -3.399 -8.184 1.113 937 HB3 ALA 122 3HB ALA 122 -4.358 -9.060 2.307 938 H ASP 123 HN ASP 123 -0.907 -7.572 4.225 939 HA ASP 123 HA ASP 123 0.431 -6.105 2.139 940 HB2 ASP 123 2HB ASP 123 0.570 -5.973 5.155 941 HB3 ASP 123 3HB ASP 123 1.477 -4.906 4.086 942 H ILE 124 HN ILE 124 1.075 -8.762 4.223 943 HA ILE 124 HA ILE 124 3.881 -8.789 4.163 944 HB ILE 124 HB ILE 124 1.970 -11.129 4.322 945 HG12 ILE 124 2HG1 ILE 124 3.413 -9.616 6.515 946 HG13 ILE 124 3HG1 ILE 124 1.708 -9.432 6.116 947 HG21 ILE 124 1HG2 ILE 124 3.850 -12.359 5.306 948 HG22 ILE 124 2HG2 ILE 124 4.180 -11.870 3.644 949 HG23 ILE 124 3HG2 ILE 124 4.910 -10.986 4.987 950 HD11 ILE 124 3HD1 ILE 124 1.320 -11.766 6.717 951 HD12 ILE 124 1HD1 ILE 124 3.028 -11.944 7.119 952 HD13 ILE 124 2HD1 ILE 124 2.010 -10.852 8.059 953 HA PRO 125 HA PRO 125 3.486 -11.727 0.198 954 HB2 PRO 125 2HB PRO 125 1.108 -11.120 -1.177 955 HB3 PRO 125 3HB PRO 125 1.458 -12.606 -0.285 956 HG2 PRO 125 2HG PRO 125 -0.064 -10.196 0.558 957 HG3 PRO 125 3HG PRO 125 -0.340 -11.901 0.955 958 HD2 PRO 125 2HD PRO 125 0.726 -10.206 2.729 959 HD3 PRO 125 3HD PRO 125 1.265 -11.897 2.628 960 H LEU 126 HN LEU 126 2.136 -8.465 0.396 961 HA LEU 126 HA LEU 126 2.839 -7.727 -2.274 962 HB2 LEU 126 2HB LEU 126 2.251 -6.023 0.152 963 HB3 LEU 126 3HB LEU 126 2.411 -5.415 -1.485 964 HG LEU 126 HG LEU 126 0.275 -7.327 -0.536 965 HD11 LEU 126 1HD1 LEU 126 -0.042 -5.114 0.396 966 HD12 LEU 126 2HD1 LEU 126 0.153 -4.389 -1.200 967 HD13 LEU 126 3HD1 LEU 126 -1.237 -5.421 -0.863 968 HD21 LEU 126 3HD2 LEU 126 -0.736 -6.928 -2.719 969 HD22 LEU 126 1HD2 LEU 126 0.650 -5.944 -3.187 970 HD23 LEU 126 2HD2 LEU 126 0.856 -7.667 -2.877 971 H LEU 127 HN LEU 127 4.248 -7.195 0.925 972 HA LEU 127 HA LEU 127 6.484 -5.733 -0.071 973 HB2 LEU 127 2HB LEU 127 5.535 -5.544 2.242 974 HB3 LEU 127 3HB LEU 127 6.199 -7.124 2.591 975 HG LEU 127 HG LEU 127 7.521 -5.103 3.407 976 HD11 LEU 127 1HD1 LEU 127 8.918 -7.106 1.663 977 HD12 LEU 127 2HD1 LEU 127 9.674 -6.111 2.906 978 HD13 LEU 127 3HD1 LEU 127 8.477 -7.324 3.358 979 HD21 LEU 127 3HD2 LEU 127 8.990 -4.036 1.795 980 HD22 LEU 127 1HD2 LEU 127 8.237 -4.950 0.490 981 HD23 LEU 127 2HD2 LEU 127 7.299 -3.756 1.387 982 H GLU 128 HN GLU 128 5.893 -9.112 0.808 983 HA GLU 128 HA GLU 128 8.463 -10.119 0.638 984 HB2 GLU 128 2HB GLU 128 5.788 -11.303 -0.044 985 HB3 GLU 128 3HB GLU 128 7.269 -12.230 -0.240 986 HG2 GLU 128 2HG GLU 128 6.492 -10.930 2.354 987 HG3 GLU 128 3HG GLU 128 6.016 -12.570 1.917 988 H ALA 129 HN ALA 129 6.185 -9.421 -2.001 989 HA ALA 129 HA ALA 129 8.051 -10.365 -3.983 990 HB1 ALA 129 1HB ALA 129 6.517 -9.580 -5.638 991 HB2 ALA 129 2HB ALA 129 5.630 -10.461 -4.391 992 HB3 ALA 129 3HB ALA 129 5.590 -8.693 -4.425 993 H PHE 130 HN PHE 130 7.436 -7.333 -2.361 994 HA PHE 130 HA PHE 130 8.521 -5.635 -4.351 995 HB2 PHE 130 2HB PHE 130 7.105 -4.795 -2.519 996 HB3 PHE 130 3HB PHE 130 8.320 -5.285 -1.344 997 HD1 PHE 130 2HD PHE 130 7.617 -2.968 -4.124 998 HD2 PHE 130 1HD PHE 130 10.152 -3.885 -0.835 999 HE1 PHE 130 2HE PHE 130 8.659 -0.752 -4.317 1000 HE2 PHE 130 1HE PHE 130 11.201 -1.668 -1.023 1001 HZ PHE 130 HZ PHE 130 10.455 -0.099 -2.767 1002 H MET 131 HN MET 131 9.823 -7.182 -1.435 1003 HA MET 131 HA MET 131 12.491 -6.358 -1.919 1004 HB2 MET 131 2HB MET 131 13.130 -7.798 -0.142 1005 HB3 MET 131 3HB MET 131 11.546 -7.163 0.298 1006 HG2 MET 131 2HG MET 131 10.483 -9.208 -0.251 1007 HG3 MET 131 3HG MET 131 11.942 -9.840 -1.009 1008 HE1 MET 131 3HE MET 131 11.572 -9.133 3.538 1009 HE2 MET 131 1HE MET 131 11.726 -7.825 2.365 1010 HE3 MET 131 2HE MET 131 10.262 -8.809 2.401 1011 H ALA 132 HN ALA 132 10.616 -9.262 -2.843 1012 HA ALA 132 HA ALA 132 12.654 -10.799 -3.919 1013 HB1 ALA 132 1HB ALA 132 10.421 -11.664 -3.594 1014 HB2 ALA 132 2HB ALA 132 9.763 -10.529 -4.780 1015 HB3 ALA 132 3HB ALA 132 10.858 -11.817 -5.295 1016 H LEU 133 HN LEU 133 10.743 -8.231 -5.386 1017 HA LEU 133 HA LEU 133 11.674 -8.552 -8.030 1018 HB2 LEU 133 2HB LEU 133 10.372 -6.327 -6.500 1019 HB3 LEU 133 3HB LEU 133 10.875 -6.095 -8.160 1020 HG LEU 133 HG LEU 133 9.001 -8.297 -7.279 1021 HD11 LEU 133 1HD1 LEU 133 8.015 -6.103 -6.796 1022 HD12 LEU 133 2HD1 LEU 133 8.283 -5.625 -8.474 1023 HD13 LEU 133 3HD1 LEU 133 7.173 -6.944 -8.097 1024 HD21 LEU 133 3HD2 LEU 133 8.435 -8.390 -9.659 1025 HD22 LEU 133 1HD2 LEU 133 9.635 -7.141 -9.990 1026 HD23 LEU 133 2HD2 LEU 133 10.146 -8.714 -9.381 1027 H ARG 134 HN ARG 134 12.664 -6.460 -5.392 1028 HA ARG 134 HA ARG 134 14.680 -5.124 -6.921 1029 HB2 ARG 134 2HB ARG 134 14.107 -5.158 -3.959 1030 HB3 ARG 134 3HB ARG 134 15.295 -4.111 -4.729 1031 HG2 ARG 134 2HG ARG 134 13.625 -2.951 -5.937 1032 HG3 ARG 134 3HG ARG 134 12.390 -4.137 -5.507 1033 HD2 ARG 134 2HD ARG 134 12.118 -2.121 -4.190 1034 HD3 ARG 134 3HD ARG 134 12.589 -3.463 -3.154 1035 HE ARG 134 HE ARG 134 14.819 -2.506 -3.058 1036 HH11 ARG 134 2HH1 ARG 134 12.362 -0.426 -4.457 1037 HH12 ARG 134 1HH1 ARG 134 13.104 1.045 -3.880 1038 HH21 ARG 134 2HH2 ARG 134 15.812 -0.585 -2.352 1039 HH22 ARG 134 1HH2 ARG 134 15.078 0.950 -2.709 1040 H ALA 135 HN ALA 135 14.583 -8.067 -5.166 1041 HA ALA 135 HA ALA 135 17.477 -8.177 -4.876 1042 HB1 ALA 135 1HB ALA 135 16.038 -9.078 -3.105 1043 HB2 ALA 135 2HB ALA 135 15.410 -10.275 -4.235 1044 HB3 ALA 135 3HB ALA 135 17.112 -10.304 -3.776 1045 H ALA 136 HN ALA 136 14.948 -9.605 -6.876 1046 HA ALA 136 HA ALA 136 16.869 -11.411 -8.135 1047 HB1 ALA 136 1HB ALA 136 14.944 -12.416 -9.229 1048 HB2 ALA 136 2HB ALA 136 14.689 -12.302 -7.486 1049 HB3 ALA 136 3HB ALA 136 13.900 -11.156 -8.571 1050 H ARG 137 HN ARG 137 15.340 -8.407 -8.721 1051 HA ARG 137 HA ARG 137 14.995 -7.095 -10.540 1052 HB2 ARG 137 2HB ARG 137 17.065 -6.413 -11.650 1053 HB3 ARG 137 3HB ARG 137 17.262 -6.528 -9.912 1054 HG2 ARG 137 2HG ARG 137 18.438 -8.640 -10.166 1055 HG3 ARG 137 3HG ARG 137 18.191 -8.581 -11.912 1056 HD2 ARG 137 2HD ARG 137 19.788 -6.638 -10.250 1057 HD3 ARG 137 3HD ARG 137 20.430 -7.847 -11.358 1058 HE ARG 137 HE ARG 137 18.633 -6.011 -12.640 1059 HH11 ARG 137 2HH1 ARG 137 21.946 -6.524 -11.613 1060 HH12 ARG 137 1HH1 ARG 137 22.600 -5.341 -12.710 1061 HH21 ARG 137 2HH2 ARG 137 19.494 -4.470 -14.084 1062 HH22 ARG 137 1HH2 ARG 137 21.207 -4.172 -14.121 1063 HA PRO 138 HA PRO 138 14.103 -10.462 -13.572 1064 HB2 PRO 138 2HB PRO 138 11.592 -8.919 -13.766 1065 HB3 PRO 138 3HB PRO 138 11.833 -10.657 -13.548 1066 HG2 PRO 138 2HG PRO 138 10.971 -9.145 -11.540 1067 HG3 PRO 138 3HG PRO 138 12.130 -10.460 -11.264 1068 HD2 PRO 138 2HD PRO 138 12.641 -7.508 -11.479 1069 HD3 PRO 138 3HD PRO 138 13.289 -8.674 -10.304 1070 H ALA 139 HN ALA 139 14.352 -10.319 -15.705 1071 HA ALA 139 HA ALA 139 15.151 -7.920 -16.948 1072 HB1 ALA 139 1HB ALA 139 15.159 -9.234 -19.003 1073 HB2 ALA 139 2HB ALA 139 15.877 -10.144 -17.673 1074 HB3 ALA 139 3HB ALA 139 14.233 -10.505 -18.202 1075 H ASP 140 HN ASP 140 12.299 -9.922 -17.655 1076 HA ASP 140 HA ASP 140 10.752 -7.463 -18.087 1077 HB2 ASP 140 2HB ASP 140 10.849 -9.949 -19.776 1078 HB3 ASP 140 3HB ASP 140 9.399 -8.955 -19.736 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -31.141 -17.319 -5.851 2 H2 GLY 1 2H GLY 1 -32.474 -16.269 -5.847 3 H3 GLY 1 3H GLY 1 -32.714 -17.942 -5.716 4 HA2 GLY 1 3HA GLY 1 -32.991 -16.910 -3.571 5 HA3 GLY 1 2HA GLY 1 -31.578 -17.958 -3.580 6 HA PRO 2 HA PRO 2 -30.555 -13.411 -2.524 7 HB2 PRO 2 2HB PRO 2 -30.666 -13.396 0.165 8 HB3 PRO 2 3HB PRO 2 -32.088 -13.090 -0.837 9 HG2 PRO 2 2HG PRO 2 -31.266 -15.602 0.561 10 HG3 PRO 2 3HG PRO 2 -32.873 -14.864 0.444 11 HD2 PRO 2 2HD PRO 2 -32.054 -16.953 -1.114 12 HD3 PRO 2 3HD PRO 2 -33.266 -15.763 -1.631 13 H LEU 3 HN LEU 3 -29.449 -16.498 -1.802 14 HA LEU 3 HA LEU 3 -26.946 -15.577 -0.618 15 HB2 LEU 3 2HB LEU 3 -28.234 -17.643 0.174 16 HB3 LEU 3 3HB LEU 3 -27.708 -18.413 -1.305 17 HG LEU 3 HG LEU 3 -26.373 -18.967 0.760 18 HD11 LEU 3 1HD1 LEU 3 -25.481 -19.385 -1.461 19 HD12 LEU 3 2HD1 LEU 3 -24.208 -18.873 -0.355 20 HD13 LEU 3 3HD1 LEU 3 -24.858 -17.737 -1.535 21 HD21 LEU 3 3HD2 LEU 3 -25.377 -16.140 0.413 22 HD22 LEU 3 1HD2 LEU 3 -24.715 -17.347 1.516 23 HD23 LEU 3 2HD2 LEU 3 -26.354 -16.740 1.755 24 H GLY 4 HN GLY 4 -25.193 -15.231 -1.811 25 HA2 GLY 4 2HA GLY 4 -23.845 -16.292 -3.707 26 HA3 GLY 4 3HA GLY 4 -25.300 -15.999 -4.653 27 H SER 5 HN SER 5 -23.606 -14.037 -2.237 28 HA SER 5 HA SER 5 -23.381 -11.908 -4.264 29 HB2 SER 5 2HB SER 5 -23.912 -11.563 -1.300 30 HB3 SER 5 3HB SER 5 -23.745 -10.265 -2.480 31 HG SER 5 HG SER 5 -25.613 -12.156 -3.168 32 H MET 6 HN MET 6 -21.382 -11.187 -4.612 33 HA MET 6 HA MET 6 -19.498 -10.930 -2.471 34 HB2 MET 6 2HB MET 6 -17.709 -12.299 -3.416 35 HB3 MET 6 3HB MET 6 -19.105 -13.284 -3.018 36 HG2 MET 6 2HG MET 6 -19.738 -13.345 -5.369 37 HG3 MET 6 3HG MET 6 -18.348 -12.335 -5.767 38 HE1 MET 6 3HE MET 6 -17.177 -15.700 -7.276 39 HE2 MET 6 1HE MET 6 -17.368 -13.965 -7.527 40 HE3 MET 6 2HE MET 6 -18.789 -14.988 -7.319 41 H LYS 7 HN LYS 7 -19.448 -8.815 -2.916 42 HA LYS 7 HA LYS 7 -18.786 -7.896 -5.594 43 HB2 LYS 7 2HB LYS 7 -19.328 -6.414 -3.017 44 HB3 LYS 7 3HB LYS 7 -18.925 -5.622 -4.534 45 HG2 LYS 7 2HG LYS 7 -20.919 -6.557 -5.571 46 HG3 LYS 7 3HG LYS 7 -21.320 -7.386 -4.066 47 HD2 LYS 7 2HD LYS 7 -21.642 -5.298 -2.932 48 HD3 LYS 7 3HD LYS 7 -21.029 -4.396 -4.320 49 HE2 LYS 7 2HE LYS 7 -23.520 -6.097 -4.317 50 HE3 LYS 7 3HE LYS 7 -23.491 -4.341 -4.152 51 HZ1 LYS 7 3HZ LYS 7 -23.953 -5.005 -6.427 52 HZ2 LYS 7 1HZ LYS 7 -22.497 -5.874 -6.498 53 HZ3 LYS 7 2HZ LYS 7 -22.471 -4.187 -6.334 54 H MET 8 HN MET 8 -16.956 -6.417 -5.937 55 HA MET 8 HA MET 8 -14.674 -7.296 -4.325 56 HB2 MET 8 2HB MET 8 -14.851 -6.280 -7.151 57 HB3 MET 8 3HB MET 8 -13.324 -6.353 -6.284 58 HG2 MET 8 2HG MET 8 -13.729 -8.782 -5.921 59 HG3 MET 8 3HG MET 8 -15.136 -8.651 -6.971 60 HE1 MET 8 3HE MET 8 -14.996 -7.983 -9.547 61 HE2 MET 8 1HE MET 8 -13.486 -7.633 -10.386 62 HE3 MET 8 2HE MET 8 -14.080 -6.532 -9.144 63 H ILE 9 HN ILE 9 -13.381 -5.959 -3.322 64 HA ILE 9 HA ILE 9 -14.056 -3.086 -3.286 65 HB ILE 9 HB ILE 9 -12.806 -4.823 -1.154 66 HG12 ILE 9 2HG1 ILE 9 -15.538 -3.562 -1.347 67 HG13 ILE 9 3HG1 ILE 9 -15.161 -5.281 -1.343 68 HG21 ILE 9 1HG2 ILE 9 -12.026 -2.407 -1.251 69 HG22 ILE 9 2HG2 ILE 9 -12.651 -3.009 0.288 70 HG23 ILE 9 3HG2 ILE 9 -13.666 -1.980 -0.740 71 HD11 ILE 9 3HD1 ILE 9 -14.268 -4.996 0.969 72 HD12 ILE 9 1HD1 ILE 9 -16.003 -4.703 0.800 73 HD13 ILE 9 2HD1 ILE 9 -14.890 -3.343 0.936 74 H GLU 10 HN GLU 10 -12.514 -1.860 -4.209 75 HA GLU 10 HA GLU 10 -9.940 -3.124 -4.785 76 HB2 GLU 10 2HB GLU 10 -11.294 -0.662 -5.891 77 HB3 GLU 10 3HB GLU 10 -9.626 -1.077 -6.255 78 HG2 GLU 10 2HG GLU 10 -11.475 -3.276 -6.700 79 HG3 GLU 10 3HG GLU 10 -11.822 -1.856 -7.685 80 H VAL 11 HN VAL 11 -8.157 -2.613 -3.703 81 HA VAL 11 HA VAL 11 -8.167 -0.127 -2.144 82 HB VAL 11 HB VAL 11 -7.223 -2.855 -1.244 83 HG11 VAL 11 1HG1 VAL 11 -6.445 -1.749 0.815 84 HG12 VAL 11 2HG1 VAL 11 -6.786 -0.181 0.082 85 HG13 VAL 11 3HG1 VAL 11 -5.542 -1.226 -0.606 86 HG21 VAL 11 3HG2 VAL 11 -8.762 -2.485 0.623 87 HG22 VAL 11 1HG2 VAL 11 -9.601 -2.437 -0.928 88 HG23 VAL 11 2HG2 VAL 11 -9.233 -0.937 -0.076 89 H VAL 12 HN VAL 12 -6.446 1.097 -2.511 90 HA VAL 12 HA VAL 12 -4.244 -0.094 -4.046 91 HB VAL 12 HB VAL 12 -3.711 2.356 -4.604 92 HG11 VAL 12 1HG1 VAL 12 -5.341 2.365 -6.454 93 HG12 VAL 12 2HG1 VAL 12 -6.209 1.044 -5.667 94 HG13 VAL 12 3HG1 VAL 12 -4.561 0.797 -6.244 95 HG21 VAL 12 3HG2 VAL 12 -6.581 2.681 -3.723 96 HG22 VAL 12 1HG2 VAL 12 -5.602 3.901 -4.542 97 HG23 VAL 12 2HG2 VAL 12 -5.172 3.370 -2.914 98 H ALA 13 HN ALA 13 -2.256 -0.146 -3.213 99 HA ALA 13 HA ALA 13 -1.858 1.185 -0.625 100 HB1 ALA 13 1HB ALA 13 -0.592 -1.375 -1.611 101 HB2 ALA 13 2HB ALA 13 -1.943 -1.283 -0.479 102 HB3 ALA 13 3HB ALA 13 -0.365 -0.635 -0.026 103 H ALA 14 HN ALA 14 -0.347 2.664 -0.571 104 HA ALA 14 HA ALA 14 1.447 2.923 -2.874 105 HB1 ALA 14 1HB ALA 14 0.731 4.950 -0.762 106 HB2 ALA 14 2HB ALA 14 -0.007 4.840 -2.360 107 HB3 ALA 14 3HB ALA 14 1.704 5.239 -2.203 108 H ILE 15 HN ILE 15 3.367 2.088 -2.591 109 HA ILE 15 HA ILE 15 4.543 1.973 0.075 110 HB ILE 15 HB ILE 15 5.372 0.749 -2.562 111 HG12 ILE 15 2HG1 ILE 15 4.162 -0.305 -0.018 112 HG13 ILE 15 3HG1 ILE 15 3.579 -0.485 -1.669 113 HG21 ILE 15 1HG2 ILE 15 7.186 -0.355 -1.387 114 HG22 ILE 15 2HG2 ILE 15 6.745 0.479 0.100 115 HG23 ILE 15 3HG2 ILE 15 7.359 1.398 -1.274 116 HD11 ILE 15 3HD1 ILE 15 5.429 -1.997 -2.162 117 HD12 ILE 15 1HD1 ILE 15 4.467 -2.571 -0.794 118 HD13 ILE 15 2HD1 ILE 15 6.030 -1.788 -0.506 119 H ILE 16 HN ILE 16 5.332 3.965 0.581 120 HA ILE 16 HA ILE 16 6.649 5.586 -1.417 121 HB ILE 16 HB ILE 16 6.806 6.144 1.521 122 HG12 ILE 16 2HG1 ILE 16 4.394 5.469 0.782 123 HG13 ILE 16 3HG1 ILE 16 4.633 6.912 1.757 124 HG21 ILE 16 1HG2 ILE 16 7.973 7.648 0.070 125 HG22 ILE 16 2HG2 ILE 16 6.563 8.486 0.727 126 HG23 ILE 16 3HG2 ILE 16 6.533 7.874 -0.926 127 HD11 ILE 16 3HD1 ILE 16 3.034 7.251 -0.041 128 HD12 ILE 16 1HD1 ILE 16 4.283 6.871 -1.228 129 HD13 ILE 16 2HD1 ILE 16 4.444 8.296 -0.197 130 H GLU 17 HN GLU 17 8.597 4.777 -2.021 131 HA GLU 17 HA GLU 17 10.381 3.888 0.128 132 HB2 GLU 17 2HB GLU 17 9.460 1.971 -1.142 133 HB3 GLU 17 3HB GLU 17 10.129 2.646 -2.618 134 HG2 GLU 17 2HG GLU 17 11.903 2.033 -0.296 135 HG3 GLU 17 3HG GLU 17 11.383 0.754 -1.390 136 H ARG 18 HN ARG 18 12.186 4.938 0.223 137 HA ARG 18 HA ARG 18 13.379 6.073 -2.179 138 HB2 ARG 18 2HB ARG 18 11.814 7.774 -1.085 139 HB3 ARG 18 3HB ARG 18 12.941 7.789 0.265 140 HG2 ARG 18 2HG ARG 18 13.609 9.600 -1.003 141 HG3 ARG 18 3HG ARG 18 14.725 8.329 -1.501 142 HD2 ARG 18 2HD ARG 18 12.979 7.892 -3.389 143 HD3 ARG 18 3HD ARG 18 12.410 9.511 -2.992 144 HE ARG 18 HE ARG 18 15.200 9.573 -3.318 145 HH11 ARG 18 1HH1 ARG 18 12.286 9.189 -5.222 146 HH12 ARG 18 2HH1 ARG 18 12.993 9.836 -6.672 147 HH21 ARG 18 1HH2 ARG 18 16.142 10.388 -5.219 148 HH22 ARG 18 2HH2 ARG 18 15.195 10.497 -6.676 149 H ASP 19 HN ASP 19 15.565 6.078 -2.085 150 HA ASP 19 HA ASP 19 17.685 5.727 -1.379 151 HB2 ASP 19 2HB ASP 19 16.528 6.297 1.358 152 HB3 ASP 19 3HB ASP 19 18.242 6.051 1.041 153 H GLY 20 HN GLY 20 15.268 3.634 -0.902 154 HA2 GLY 20 2HA GLY 20 15.677 1.280 -0.844 155 HA3 GLY 20 3HA GLY 20 17.116 1.589 0.118 156 H LYS 21 HN LYS 21 14.552 3.495 1.182 157 HA LYS 21 HA LYS 21 13.775 1.448 3.152 158 HB2 LYS 21 2HB LYS 21 13.915 4.395 3.778 159 HB3 LYS 21 3HB LYS 21 13.670 3.070 4.896 160 HG2 LYS 21 2HG LYS 21 16.089 2.471 3.703 161 HG3 LYS 21 3HG LYS 21 16.135 4.220 3.908 162 HD2 LYS 21 2HD LYS 21 15.823 4.075 6.229 163 HD3 LYS 21 3HD LYS 21 15.285 2.398 6.136 164 HE2 LYS 21 2HE LYS 21 17.516 2.477 7.041 165 HE3 LYS 21 3HE LYS 21 17.558 1.739 5.443 166 HZ1 LYS 21 3HZ LYS 21 19.353 3.374 5.896 167 HZ2 LYS 21 1HZ LYS 21 18.182 4.597 5.940 168 HZ3 LYS 21 2HZ LYS 21 18.439 3.716 4.511 169 H ILE 22 HN ILE 22 11.649 1.423 3.820 170 HA ILE 22 HA ILE 22 9.809 2.727 1.931 171 HB ILE 22 HB ILE 22 9.313 0.272 3.622 172 HG12 ILE 22 2HG1 ILE 22 10.130 0.460 0.714 173 HG13 ILE 22 3HG1 ILE 22 11.133 -0.137 2.032 174 HG21 ILE 22 1HG2 ILE 22 7.503 -0.094 1.875 175 HG22 ILE 22 2HG2 ILE 22 7.786 1.588 1.396 176 HG23 ILE 22 3HG2 ILE 22 7.240 1.218 3.032 177 HD11 ILE 22 3HD1 ILE 22 8.569 -1.378 1.066 178 HD12 ILE 22 1HD1 ILE 22 9.580 -1.977 2.385 179 HD13 ILE 22 2HD1 ILE 22 10.204 -1.959 0.735 180 H LEU 23 HN LEU 23 7.914 3.659 2.670 181 HA LEU 23 HA LEU 23 7.968 4.711 5.364 182 HB2 LEU 23 2HB LEU 23 7.346 5.870 3.107 183 HB3 LEU 23 3HB LEU 23 5.771 5.155 3.372 184 HG LEU 23 HG LEU 23 7.167 7.192 5.094 185 HD11 LEU 23 1HD1 LEU 23 4.622 7.311 3.481 186 HD12 LEU 23 2HD1 LEU 23 6.151 8.084 3.069 187 HD13 LEU 23 3HD1 LEU 23 5.261 8.603 4.501 188 HD21 LEU 23 3HD2 LEU 23 5.141 7.200 6.478 189 HD22 LEU 23 1HD2 LEU 23 6.000 5.661 6.555 190 HD23 LEU 23 2HD2 LEU 23 4.537 5.809 5.575 191 H LEU 24 HN LEU 24 7.058 3.697 6.971 192 HA LEU 24 HA LEU 24 4.597 2.123 6.501 193 HB2 LEU 24 2HB LEU 24 6.768 1.684 8.546 194 HB3 LEU 24 3HB LEU 24 5.194 0.932 8.657 195 HG LEU 24 HG LEU 24 5.652 -0.135 6.416 196 HD11 LEU 24 1HD1 LEU 24 8.447 0.836 6.947 197 HD12 LEU 24 2HD1 LEU 24 7.397 1.341 5.621 198 HD13 LEU 24 3HD1 LEU 24 7.975 -0.325 5.704 199 HD21 LEU 24 3HD2 LEU 24 5.833 -1.370 8.494 200 HD22 LEU 24 1HD2 LEU 24 7.489 -0.799 8.706 201 HD23 LEU 24 2HD2 LEU 24 7.091 -1.871 7.365 202 H ALA 25 HN ALA 25 2.815 2.673 7.625 203 HA ALA 25 HA ALA 25 3.105 4.856 9.586 204 HB1 ALA 25 1HB ALA 25 0.673 4.088 7.993 205 HB2 ALA 25 2HB ALA 25 1.773 5.413 7.604 206 HB3 ALA 25 3HB ALA 25 0.817 5.461 9.090 207 H GLN 26 HN GLN 26 2.698 4.407 11.646 208 HA GLN 26 HA GLN 26 1.479 1.912 12.391 209 HB2 GLN 26 2HB GLN 26 3.293 2.963 13.744 210 HB3 GLN 26 3HB GLN 26 2.175 4.250 14.178 211 HG2 GLN 26 2HG GLN 26 0.736 2.675 15.309 212 HG3 GLN 26 3HG GLN 26 1.750 1.330 14.788 213 HE21 GLN 26 1HE2 GLN 26 1.414 3.989 16.992 214 HE22 GLN 26 2HE2 GLN 26 2.748 3.573 18.013 215 H ARG 27 HN ARG 27 -0.456 1.581 13.299 216 HA ARG 27 HA ARG 27 -2.582 1.931 14.077 217 HB2 ARG 27 2HB ARG 27 -1.844 4.141 14.992 218 HB3 ARG 27 3HB ARG 27 -2.198 4.867 13.436 219 HG2 ARG 27 2HG ARG 27 -4.305 3.443 15.030 220 HG3 ARG 27 3HG ARG 27 -3.909 5.139 15.306 221 HD2 ARG 27 2HD ARG 27 -4.293 5.426 12.782 222 HD3 ARG 27 3HD ARG 27 -5.078 3.851 12.861 223 HE ARG 27 HE ARG 27 -6.095 5.659 14.830 224 HH11 ARG 27 1HH1 ARG 27 -6.359 4.631 11.496 225 HH12 ARG 27 2HH1 ARG 27 -7.910 5.383 11.249 226 HH21 ARG 27 1HH2 ARG 27 -8.142 6.657 14.506 227 HH22 ARG 27 2HH2 ARG 27 -8.902 6.548 12.948 228 HA PRO 28 HA PRO 28 -3.638 1.346 9.837 229 HB2 PRO 28 2HB PRO 28 -5.279 -0.710 10.179 230 HB3 PRO 28 3HB PRO 28 -3.569 -0.863 10.593 231 HG2 PRO 28 2HG PRO 28 -5.919 -0.419 12.378 232 HG3 PRO 28 3HG PRO 28 -4.523 -1.480 12.601 233 HD2 PRO 28 2HD PRO 28 -4.815 1.066 13.686 234 HD3 PRO 28 3HD PRO 28 -3.275 0.193 13.523 235 H ALA 29 HN ALA 29 -6.265 0.323 9.291 236 HA ALA 29 HA ALA 29 -7.789 2.814 9.661 237 HB1 ALA 29 1HB ALA 29 -7.048 2.429 7.373 238 HB2 ALA 29 2HB ALA 29 -8.807 2.384 7.501 239 HB3 ALA 29 3HB ALA 29 -7.894 0.882 7.358 240 H GLN 30 HN GLN 30 -8.386 -0.643 8.948 241 HA GLN 30 HA GLN 30 -11.040 -0.356 10.123 242 HB2 GLN 30 2HB GLN 30 -9.802 -2.636 8.575 243 HB3 GLN 30 3HB GLN 30 -11.448 -2.623 9.190 244 HG2 GLN 30 2HG GLN 30 -11.905 -0.626 7.806 245 HG3 GLN 30 3HG GLN 30 -10.284 -0.768 7.129 246 HE21 GLN 30 1HE2 GLN 30 -9.820 -2.482 5.731 247 HE22 GLN 30 2HE2 GLN 30 -11.064 -3.416 4.979 248 H SER 31 HN SER 31 -8.000 -1.300 11.134 249 HA SER 31 HA SER 31 -9.038 -3.294 13.008 250 HB2 SER 31 2HB SER 31 -6.181 -2.556 12.331 251 HB3 SER 31 3HB SER 31 -6.674 -3.848 13.427 252 HG SER 31 HG SER 31 -8.000 -4.219 11.186 253 H ASP 32 HN ASP 32 -9.125 -2.974 15.140 254 HA ASP 32 HA ASP 32 -8.752 -0.246 16.107 255 HB2 ASP 32 2HB ASP 32 -10.140 -0.893 17.944 256 HB3 ASP 32 3HB ASP 32 -10.859 -1.561 16.487 257 H GLN 33 HN GLN 33 -6.808 -2.730 15.804 258 HA GLN 33 HA GLN 33 -5.647 -2.705 18.480 259 HB2 GLN 33 2HB GLN 33 -4.163 -4.526 17.237 260 HB3 GLN 33 3HB GLN 33 -5.754 -4.911 17.881 261 HG2 GLN 33 2HG GLN 33 -6.716 -4.468 15.640 262 HG3 GLN 33 3HG GLN 33 -5.072 -4.252 15.027 263 HE21 GLN 33 1HE2 GLN 33 -6.038 -6.615 17.448 264 HE22 GLN 33 2HE2 GLN 33 -5.742 -8.009 16.460 265 H ALA 34 HN ALA 34 -3.586 -1.993 18.890 266 HA ALA 34 HA ALA 34 -2.582 -0.149 16.836 267 HB1 ALA 34 1HB ALA 34 -2.158 -0.106 19.819 268 HB2 ALA 34 2HB ALA 34 -3.328 0.871 18.931 269 HB3 ALA 34 3HB ALA 34 -1.600 1.110 18.671 270 H GLY 35 HN GLY 35 -0.167 0.357 17.155 271 HA2 GLY 35 2HA GLY 35 2.027 -0.354 17.560 272 HA3 GLY 35 3HA GLY 35 1.415 -1.942 17.992 273 H LEU 36 HN LEU 36 -0.239 -2.033 15.532 274 HA LEU 36 HA LEU 36 1.666 -3.208 13.799 275 HB2 LEU 36 2HB LEU 36 -1.189 -2.523 13.135 276 HB3 LEU 36 3HB LEU 36 -0.212 -3.819 12.473 277 HG LEU 36 HG LEU 36 -1.124 -3.707 15.347 278 HD11 LEU 36 1HD1 LEU 36 -2.298 -5.225 13.024 279 HD12 LEU 36 2HD1 LEU 36 -3.043 -3.863 13.864 280 HD13 LEU 36 3HD1 LEU 36 -2.777 -5.386 14.714 281 HD21 LEU 36 3HD2 LEU 36 0.865 -5.051 15.016 282 HD22 LEU 36 1HD2 LEU 36 0.088 -5.917 13.690 283 HD23 LEU 36 2HD2 LEU 36 -0.524 -6.091 15.334 284 H TRP 37 HN TRP 37 2.209 -2.628 11.697 285 HA TRP 37 HA TRP 37 1.736 0.194 10.973 286 HB2 TRP 37 2HB TRP 37 4.046 -1.577 10.125 287 HB3 TRP 37 3HB TRP 37 3.860 0.138 9.783 288 HD1 TRP 37 1HD TRP 37 4.594 -2.240 12.726 289 HE1 TRP 37 1HE TRP 37 5.847 -0.923 14.551 290 HE3 TRP 37 3HE TRP 37 4.345 2.432 10.666 291 HZ2 TRP 37 2HZ TRP 37 6.628 1.738 15.042 292 HZ3 TRP 37 3HZ TRP 37 5.372 4.308 11.880 293 HH2 TRP 37 2HH TRP 37 6.490 3.968 14.023 294 H GLU 38 HN GLU 38 1.197 0.633 8.806 295 HA GLU 38 HA GLU 38 0.919 -1.635 6.982 296 HB2 GLU 38 2HB GLU 38 -1.325 -0.858 6.260 297 HB3 GLU 38 3HB GLU 38 -1.309 -1.420 7.925 298 HG2 GLU 38 2HG GLU 38 -1.375 0.816 8.756 299 HG3 GLU 38 3HG GLU 38 -1.133 1.477 7.139 300 H PHE 39 HN PHE 39 0.607 -0.917 4.710 301 HA PHE 39 HA PHE 39 2.225 1.396 4.121 302 HB2 PHE 39 2HB PHE 39 0.625 -0.422 2.298 303 HB3 PHE 39 3HB PHE 39 1.686 0.862 1.736 304 HD1 PHE 39 1HD PHE 39 4.141 0.710 2.705 305 HD2 PHE 39 2HD PHE 39 1.419 -2.525 2.342 306 HE1 PHE 39 1HE PHE 39 6.016 -0.862 2.701 307 HE2 PHE 39 2HE PHE 39 3.278 -4.103 2.344 308 HZ PHE 39 HZ PHE 39 5.596 -3.287 2.524 309 H ALA 40 HN ALA 40 1.439 3.180 2.726 310 HA ALA 40 HA ALA 40 -1.060 4.170 3.793 311 HB1 ALA 40 1HB ALA 40 -0.477 6.258 2.685 312 HB2 ALA 40 2HB ALA 40 0.869 5.463 1.871 313 HB3 ALA 40 3HB ALA 40 0.885 5.650 3.624 314 H GLY 41 HN GLY 41 -2.681 5.185 2.302 315 HA2 GLY 41 2HA GLY 41 -3.086 5.150 -0.271 316 HA3 GLY 41 3HA GLY 41 -3.110 3.413 0.017 317 H GLY 42 HN GLY 42 -5.171 2.813 -0.186 318 HA2 GLY 42 2HA GLY 42 -7.084 3.114 1.703 319 HA3 GLY 42 3HA GLY 42 -7.320 4.538 0.699 320 H LYS 43 HN LYS 43 -9.253 4.015 -0.154 321 HA LYS 43 HA LYS 43 -9.452 1.438 -1.572 322 HB2 LYS 43 2HB LYS 43 -11.054 1.579 0.273 323 HB3 LYS 43 3HB LYS 43 -11.687 3.091 -0.370 324 HG2 LYS 43 2HG LYS 43 -12.192 1.710 -2.488 325 HG3 LYS 43 3HG LYS 43 -11.979 0.312 -1.434 326 HD2 LYS 43 2HD LYS 43 -13.769 1.002 -0.030 327 HD3 LYS 43 3HD LYS 43 -13.870 2.570 -0.831 328 HE2 LYS 43 2HE LYS 43 -14.336 1.215 -2.965 329 HE3 LYS 43 3HE LYS 43 -14.659 -0.129 -1.871 330 HZ1 LYS 43 3HZ LYS 43 -16.070 2.482 -1.958 331 HZ2 LYS 43 1HZ LYS 43 -16.316 1.305 -0.758 332 HZ3 LYS 43 2HZ LYS 43 -16.697 0.960 -2.373 333 H VAL 44 HN VAL 44 -10.574 1.411 -3.562 334 HA VAL 44 HA VAL 44 -10.527 3.992 -4.980 335 HB VAL 44 HB VAL 44 -10.521 1.214 -6.179 336 HG11 VAL 44 1HG1 VAL 44 -9.868 2.349 -8.237 337 HG12 VAL 44 2HG1 VAL 44 -9.964 3.906 -7.413 338 HG13 VAL 44 3HG1 VAL 44 -11.421 2.938 -7.645 339 HG21 VAL 44 3HG2 VAL 44 -8.471 1.555 -4.922 340 HG22 VAL 44 1HG2 VAL 44 -8.203 3.089 -5.747 341 HG23 VAL 44 2HG2 VAL 44 -8.144 1.580 -6.656 342 H GLU 45 HN GLU 45 -12.554 4.826 -4.844 343 HA GLU 45 HA GLU 45 -14.908 3.219 -4.792 344 HB2 GLU 45 2HB GLU 45 -14.612 6.147 -5.510 345 HB3 GLU 45 3HB GLU 45 -16.121 5.333 -5.125 346 HG2 GLU 45 2HG GLU 45 -13.800 5.783 -3.265 347 HG3 GLU 45 3HG GLU 45 -15.347 6.622 -3.237 348 HA PRO 46 HA PRO 46 -15.386 1.967 -8.905 349 HB2 PRO 46 2HB PRO 46 -18.074 2.358 -9.366 350 HB3 PRO 46 3HB PRO 46 -17.392 1.002 -8.463 351 HG2 PRO 46 2HG PRO 46 -18.582 3.550 -7.445 352 HG3 PRO 46 3HG PRO 46 -18.781 1.898 -6.832 353 HD2 PRO 46 2HD PRO 46 -17.146 3.645 -5.632 354 HD3 PRO 46 3HD PRO 46 -16.726 1.923 -5.750 355 H ASP 47 HN ASP 47 -15.684 5.224 -8.251 356 HA ASP 47 HA ASP 47 -16.240 5.864 -11.062 357 HB2 ASP 47 2HB ASP 47 -17.747 6.924 -9.431 358 HB3 ASP 47 3HB ASP 47 -16.361 7.686 -8.656 359 H GLU 48 HN GLU 48 -13.750 5.683 -8.841 360 HA GLU 48 HA GLU 48 -12.153 7.689 -10.305 361 HB2 GLU 48 2HB GLU 48 -10.743 7.932 -8.367 362 HB3 GLU 48 3HB GLU 48 -12.419 8.150 -7.887 363 HG2 GLU 48 2HG GLU 48 -12.413 5.781 -7.093 364 HG3 GLU 48 3HG GLU 48 -10.680 5.744 -7.416 365 H SER 49 HN SER 49 -9.838 7.190 -10.599 366 HA SER 49 HA SER 49 -9.568 4.416 -11.447 367 HB2 SER 49 2HB SER 49 -9.073 6.134 -13.113 368 HB3 SER 49 3HB SER 49 -7.878 6.862 -12.041 369 HG SER 49 HG SER 49 -7.726 4.550 -13.597 370 H GLN 50 HN GLN 50 -7.359 3.415 -11.168 371 HA GLN 50 HA GLN 50 -6.771 3.125 -8.444 372 HB2 GLN 50 2HB GLN 50 -5.121 2.418 -10.874 373 HB3 GLN 50 3HB GLN 50 -4.759 1.884 -9.238 374 HG2 GLN 50 2HG GLN 50 -6.808 0.627 -9.148 375 HG3 GLN 50 3HG GLN 50 -7.299 1.257 -10.721 376 HE21 GLN 50 1HE2 GLN 50 -3.998 0.407 -10.045 377 HE22 GLN 50 2HE2 GLN 50 -3.940 -0.999 -11.058 378 H ARG 51 HN ARG 51 -4.821 4.696 -10.996 379 HA ARG 51 HA ARG 51 -2.829 5.646 -9.250 380 HB2 ARG 51 2HB ARG 51 -3.678 6.868 -11.882 381 HB3 ARG 51 3HB ARG 51 -2.163 7.162 -11.041 382 HG2 ARG 51 2HG ARG 51 -1.632 4.735 -11.304 383 HG3 ARG 51 3HG ARG 51 -3.057 4.603 -12.340 384 HD2 ARG 51 2HD ARG 51 -2.142 6.180 -13.900 385 HD3 ARG 51 3HD ARG 51 -0.794 6.535 -12.821 386 HE ARG 51 HE ARG 51 -0.993 3.769 -13.643 387 HH11 ARG 51 1HH1 ARG 51 0.317 6.933 -14.411 388 HH12 ARG 51 2HH1 ARG 51 1.664 6.292 -15.305 389 HH21 ARG 51 1HH2 ARG 51 0.784 2.937 -14.817 390 HH22 ARG 51 2HH2 ARG 51 1.936 4.028 -15.529 391 H GLN 52 HN GLN 52 -5.902 6.980 -10.278 392 HA GLN 52 HA GLN 52 -5.447 9.601 -9.287 393 HB2 GLN 52 2HB GLN 52 -7.115 9.296 -10.973 394 HB3 GLN 52 3HB GLN 52 -7.965 8.101 -10.006 395 HG2 GLN 52 2HG GLN 52 -8.999 9.656 -8.737 396 HG3 GLN 52 3HG GLN 52 -7.656 10.795 -8.832 397 HE21 GLN 52 1HE2 GLN 52 -7.482 10.654 -11.714 398 HE22 GLN 52 2HE2 GLN 52 -8.826 11.542 -12.340 399 H ALA 53 HN ALA 53 -6.947 6.693 -7.982 400 HA ALA 53 HA ALA 53 -7.864 7.786 -5.564 401 HB1 ALA 53 1HB ALA 53 -8.563 5.591 -6.411 402 HB2 ALA 53 2HB ALA 53 -7.965 5.501 -4.756 403 HB3 ALA 53 3HB ALA 53 -6.946 4.963 -6.092 404 H LEU 54 HN LEU 54 -4.764 6.190 -6.367 405 HA LEU 54 HA LEU 54 -3.695 6.317 -3.765 406 HB2 LEU 54 2HB LEU 54 -2.449 6.122 -6.491 407 HB3 LEU 54 3HB LEU 54 -1.469 6.202 -5.036 408 HG LEU 54 HG LEU 54 -3.595 4.103 -5.340 409 HD11 LEU 54 1HD1 LEU 54 -2.189 3.880 -7.303 410 HD12 LEU 54 2HD1 LEU 54 -1.839 2.584 -6.158 411 HD13 LEU 54 3HD1 LEU 54 -0.741 3.955 -6.302 412 HD21 LEU 54 3HD2 LEU 54 -2.162 2.918 -3.758 413 HD22 LEU 54 1HD2 LEU 54 -2.647 4.491 -3.127 414 HD23 LEU 54 2HD2 LEU 54 -1.023 4.262 -3.778 415 H VAL 55 HN VAL 55 -3.472 8.528 -6.520 416 HA VAL 55 HA VAL 55 -1.675 10.335 -5.351 417 HB VAL 55 HB VAL 55 -3.752 10.716 -7.510 418 HG11 VAL 55 1HG1 VAL 55 -1.671 12.694 -6.574 419 HG12 VAL 55 2HG1 VAL 55 -3.419 12.871 -6.418 420 HG13 VAL 55 3HG1 VAL 55 -2.672 12.863 -8.015 421 HG21 VAL 55 3HG2 VAL 55 -0.746 10.486 -7.536 422 HG22 VAL 55 1HG2 VAL 55 -1.749 10.825 -8.947 423 HG23 VAL 55 2HG2 VAL 55 -1.906 9.285 -8.104 424 H ARG 56 HN ARG 56 -5.236 10.279 -5.339 425 HA ARG 56 HA ARG 56 -5.350 12.753 -3.915 426 HB2 ARG 56 2HB ARG 56 -7.753 12.458 -3.845 427 HB3 ARG 56 3HB ARG 56 -7.136 12.142 -5.453 428 HG2 ARG 56 2HG ARG 56 -8.568 10.410 -5.312 429 HG3 ARG 56 3HG ARG 56 -7.191 9.635 -4.526 430 HD2 ARG 56 2HD ARG 56 -8.070 10.082 -2.368 431 HD3 ARG 56 3HD ARG 56 -9.306 11.151 -3.025 432 HE ARG 56 HE ARG 56 -9.646 8.592 -4.138 433 HH11 ARG 56 1HH1 ARG 56 -9.957 10.306 -1.107 434 HH12 ARG 56 2HH1 ARG 56 -11.170 9.237 -0.476 435 HH21 ARG 56 1HH2 ARG 56 -11.269 7.180 -3.328 436 HH22 ARG 56 2HH2 ARG 56 -11.898 7.449 -1.724 437 H GLU 57 HN GLU 57 -5.706 9.348 -2.947 438 HA GLU 57 HA GLU 57 -6.421 9.784 -0.289 439 HB2 GLU 57 2HB GLU 57 -4.857 7.564 -1.593 440 HB3 GLU 57 3HB GLU 57 -5.239 7.545 0.123 441 HG2 GLU 57 2HG GLU 57 -7.309 7.773 -2.046 442 HG3 GLU 57 3HG GLU 57 -6.791 6.243 -1.345 443 H LEU 58 HN LEU 58 -3.123 9.258 -1.555 444 HA LEU 58 HA LEU 58 -1.763 9.815 0.814 445 HB2 LEU 58 2HB LEU 58 -1.024 10.081 -2.057 446 HB3 LEU 58 3HB LEU 58 0.087 10.586 -0.813 447 HG LEU 58 HG LEU 58 0.152 8.339 0.083 448 HD11 LEU 58 1HD1 LEU 58 -0.881 6.462 -1.017 449 HD12 LEU 58 2HD1 LEU 58 -1.658 7.546 -2.170 450 HD13 LEU 58 3HD1 LEU 58 -2.100 7.607 -0.464 451 HD21 LEU 58 3HD2 LEU 58 0.624 8.445 -2.883 452 HD22 LEU 58 1HD2 LEU 58 1.309 7.252 -1.780 453 HD23 LEU 58 2HD2 LEU 58 1.754 8.950 -1.627 454 H ARG 59 HN ARG 59 -2.950 12.002 -1.696 455 HA ARG 59 HA ARG 59 -1.799 14.345 -0.730 456 HB2 ARG 59 2HB ARG 59 -2.836 14.247 -2.899 457 HB3 ARG 59 3HB ARG 59 -4.399 13.879 -2.187 458 HG2 ARG 59 2HG ARG 59 -4.588 16.065 -1.284 459 HG3 ARG 59 3HG ARG 59 -2.924 16.456 -1.736 460 HD2 ARG 59 2HD ARG 59 -3.471 16.300 -4.074 461 HD3 ARG 59 3HD ARG 59 -5.098 15.736 -3.696 462 HE ARG 59 HE ARG 59 -5.245 18.040 -2.526 463 HH11 ARG 59 1HH1 ARG 59 -3.496 17.367 -5.490 464 HH12 ARG 59 2HH1 ARG 59 -3.780 18.938 -6.170 465 HH21 ARG 59 1HH2 ARG 59 -5.637 20.098 -3.429 466 HH22 ARG 59 2HH2 ARG 59 -4.999 20.492 -5.001 467 H GLU 60 HN GLU 60 -4.652 12.602 0.328 468 HA GLU 60 HA GLU 60 -5.433 14.744 2.123 469 HB2 GLU 60 2HB GLU 60 -6.627 11.975 1.886 470 HB3 GLU 60 3HB GLU 60 -7.347 13.371 2.676 471 HG2 GLU 60 2HG GLU 60 -7.349 14.501 0.436 472 HG3 GLU 60 3HG GLU 60 -6.881 12.958 -0.261 473 H GLU 61 HN GLU 61 -4.039 11.510 2.299 474 HA GLU 61 HA GLU 61 -4.033 11.601 5.202 475 HB2 GLU 61 2HB GLU 61 -3.111 9.468 3.271 476 HB3 GLU 61 3HB GLU 61 -2.971 9.337 5.028 477 HG2 GLU 61 2HG GLU 61 -5.543 9.686 3.527 478 HG3 GLU 61 3HG GLU 61 -4.916 8.171 4.191 479 H LEU 62 HN LEU 62 -1.589 11.469 2.592 480 HA LEU 62 HA LEU 62 0.465 11.783 4.669 481 HB2 LEU 62 2HB LEU 62 0.804 11.113 1.751 482 HB3 LEU 62 3HB LEU 62 2.061 11.102 2.971 483 HG LEU 62 HG LEU 62 -0.292 9.215 2.803 484 HD11 LEU 62 1HD1 LEU 62 1.509 8.835 1.169 485 HD12 LEU 62 2HD1 LEU 62 1.413 7.539 2.363 486 HD13 LEU 62 3HD1 LEU 62 2.676 8.762 2.488 487 HD21 LEU 62 3HD2 LEU 62 1.943 9.336 4.832 488 HD22 LEU 62 1HD2 LEU 62 0.712 8.076 4.716 489 HD23 LEU 62 2HD2 LEU 62 0.248 9.726 5.134 490 H GLY 63 HN GLY 63 -1.347 13.882 3.031 491 HA2 GLY 63 2HA GLY 63 -1.093 15.930 2.061 492 HA3 GLY 63 3HA GLY 63 0.246 16.083 3.179 493 H ILE 64 HN ILE 64 0.349 13.689 0.603 494 HA ILE 64 HA ILE 64 2.329 15.414 -0.730 495 HB ILE 64 HB ILE 64 3.563 13.417 -1.446 496 HG12 ILE 64 2HG1 ILE 64 1.778 11.895 0.464 497 HG13 ILE 64 3HG1 ILE 64 1.683 11.801 -1.291 498 HG21 ILE 64 1HG2 ILE 64 3.249 13.665 1.534 499 HG22 ILE 64 2HG2 ILE 64 4.304 14.633 0.503 500 HG23 ILE 64 3HG2 ILE 64 4.608 12.906 0.702 501 HD11 ILE 64 3HD1 ILE 64 4.000 10.944 0.430 502 HD12 ILE 64 1HD1 ILE 64 3.986 10.922 -1.334 503 HD13 ILE 64 2HD1 ILE 64 2.869 9.896 -0.432 504 H GLU 65 HN GLU 65 2.396 15.506 -2.886 505 HA GLU 65 HA GLU 65 0.175 14.285 -4.360 506 HB2 GLU 65 2HB GLU 65 1.948 16.663 -4.864 507 HB3 GLU 65 3HB GLU 65 0.982 15.957 -6.152 508 HG2 GLU 65 2HG GLU 65 -1.034 16.325 -4.863 509 HG3 GLU 65 3HG GLU 65 -0.087 16.984 -3.536 510 H ALA 66 HN ALA 66 0.743 12.337 -5.057 511 HA ALA 66 HA ALA 66 3.550 11.818 -5.647 512 HB1 ALA 66 1HB ALA 66 2.986 9.478 -5.381 513 HB2 ALA 66 2HB ALA 66 1.279 9.895 -5.218 514 HB3 ALA 66 3HB ALA 66 2.436 10.416 -3.993 515 H THR 67 HN THR 67 4.166 10.494 -7.415 516 HA THR 67 HA THR 67 2.412 10.750 -9.769 517 HB THR 67 HB THR 67 5.431 10.500 -9.630 518 HG1 THR 67 1HG THR 67 5.358 12.609 -9.486 519 HG21 THR 67 3HG2 THR 67 5.381 10.912 -12.050 520 HG22 THR 67 1HG2 THR 67 3.618 10.880 -12.017 521 HG23 THR 67 2HG2 THR 67 4.534 9.423 -11.630 522 H VAL 68 HN VAL 68 1.418 8.851 -10.209 523 HA VAL 68 HA VAL 68 2.521 6.389 -9.138 524 HB VAL 68 HB VAL 68 -0.017 6.769 -10.738 525 HG11 VAL 68 1HG1 VAL 68 -0.697 4.652 -9.729 526 HG12 VAL 68 2HG1 VAL 68 0.859 4.539 -8.905 527 HG13 VAL 68 3HG1 VAL 68 0.786 4.465 -10.666 528 HG21 VAL 68 3HG2 VAL 68 0.391 6.784 -7.751 529 HG22 VAL 68 1HG2 VAL 68 -1.172 6.768 -8.566 530 HG23 VAL 68 2HG2 VAL 68 -0.097 8.152 -8.748 531 H GLY 69 HN GLY 69 3.332 4.697 -10.329 532 HA2 GLY 69 2HA GLY 69 3.127 4.721 -13.212 533 HA3 GLY 69 3HA GLY 69 4.738 5.002 -12.583 534 H GLU 70 HN GLU 70 5.482 3.351 -10.953 535 HA GLU 70 HA GLU 70 5.150 0.778 -12.265 536 HB2 GLU 70 2HB GLU 70 7.232 0.221 -10.916 537 HB3 GLU 70 3HB GLU 70 7.399 1.457 -12.153 538 HG2 GLU 70 2HG GLU 70 7.148 3.184 -10.387 539 HG3 GLU 70 3HG GLU 70 7.133 1.892 -9.188 540 H TYR 71 HN TYR 71 3.956 -0.771 -11.448 541 HA TYR 71 HA TYR 71 3.150 -0.711 -8.654 542 HB2 TYR 71 2HB TYR 71 2.235 -2.227 -11.081 543 HB3 TYR 71 3HB TYR 71 1.745 -2.710 -9.466 544 HD1 TYR 71 2HD TYR 71 0.308 -1.258 -8.114 545 HD2 TYR 71 1HD TYR 71 1.347 -0.238 -12.109 546 HE1 TYR 71 2HE TYR 71 -1.518 0.391 -8.160 547 HE2 TYR 71 1HE TYR 71 -0.472 1.415 -12.167 548 HH TYR 71 HH TYR 71 -2.549 1.904 -11.074 549 H VAL 72 HN VAL 72 3.504 -2.398 -7.227 550 HA VAL 72 HA VAL 72 5.915 -3.955 -7.789 551 HB VAL 72 HB VAL 72 4.395 -3.643 -5.197 552 HG11 VAL 72 1HG1 VAL 72 7.148 -4.723 -5.776 553 HG12 VAL 72 2HG1 VAL 72 5.749 -5.641 -5.209 554 HG13 VAL 72 3HG1 VAL 72 6.494 -4.428 -4.164 555 HG21 VAL 72 3HG2 VAL 72 6.116 -2.030 -4.571 556 HG22 VAL 72 1HG2 VAL 72 5.218 -1.496 -5.992 557 HG23 VAL 72 2HG2 VAL 72 6.837 -2.173 -6.174 558 H ALA 73 HN ALA 73 2.944 -4.653 -5.953 559 HA ALA 73 HA ALA 73 2.554 -7.105 -7.492 560 HB1 ALA 73 1HB ALA 73 2.859 -7.133 -4.488 561 HB2 ALA 73 2HB ALA 73 4.030 -7.765 -5.646 562 HB3 ALA 73 3HB ALA 73 2.439 -8.511 -5.505 563 H SER 74 HN SER 74 0.502 -8.264 -6.575 564 HA SER 74 HA SER 74 -1.372 -6.380 -5.372 565 HB2 SER 74 2HB SER 74 -1.961 -7.905 -7.922 566 HB3 SER 74 3HB SER 74 -3.106 -6.903 -7.034 567 HG SER 74 HG SER 74 -0.819 -5.552 -7.559 568 H HIS 75 HN HIS 75 -3.035 -7.377 -4.209 569 HA HIS 75 HA HIS 75 -2.802 -10.277 -3.850 570 HB2 HIS 75 2HB HIS 75 -1.301 -9.326 -2.195 571 HB3 HIS 75 3HB HIS 75 -2.553 -8.217 -1.650 572 HD1 HIS 75 1HD HIS 75 -3.479 -8.940 0.511 573 HD2 HIS 75 2HD HIS 75 -2.434 -12.182 -1.866 574 HE1 HIS 75 1HE HIS 75 -4.060 -10.979 1.862 575 HE2 HIS 75 2HE HIS 75 -3.604 -12.922 0.322 576 H GLN 76 HN GLN 76 -4.707 -11.258 -3.418 577 HA GLN 76 HA GLN 76 -7.029 -9.509 -2.943 578 HB2 GLN 76 2HB GLN 76 -6.764 -12.146 -4.347 579 HB3 GLN 76 3HB GLN 76 -8.320 -11.599 -3.735 580 HG2 GLN 76 2HG GLN 76 -8.199 -9.618 -5.097 581 HG3 GLN 76 3HG GLN 76 -6.593 -10.075 -5.664 582 HE21 GLN 76 1HE2 GLN 76 -6.371 -11.766 -7.110 583 HE22 GLN 76 2HE2 GLN 76 -7.709 -12.376 -8.031 584 H ARG 77 HN ARG 77 -8.476 -9.952 -1.384 585 HA ARG 77 HA ARG 77 -8.337 -12.342 0.229 586 HB2 ARG 77 2HB ARG 77 -8.024 -11.180 2.352 587 HB3 ARG 77 3HB ARG 77 -6.636 -10.896 1.315 588 HG2 ARG 77 2HG ARG 77 -7.475 -8.685 0.757 589 HG3 ARG 77 3HG ARG 77 -8.914 -8.974 1.739 590 HD2 ARG 77 2HD ARG 77 -7.542 -9.175 3.729 591 HD3 ARG 77 3HD ARG 77 -6.085 -8.973 2.767 592 HE ARG 77 HE ARG 77 -7.491 -6.719 2.249 593 HH11 ARG 77 1HH1 ARG 77 -6.541 -8.329 5.204 594 HH12 ARG 77 2HH1 ARG 77 -6.338 -6.846 6.101 595 HH21 ARG 77 1HH2 ARG 77 -7.184 -4.752 3.423 596 HH22 ARG 77 2HH2 ARG 77 -6.672 -4.820 5.076 597 H GLU 78 HN GLU 78 -10.187 -12.022 2.029 598 HA GLU 78 HA GLU 78 -12.264 -10.392 0.732 599 HB2 GLU 78 2HB GLU 78 -13.921 -11.984 1.217 600 HB3 GLU 78 3HB GLU 78 -12.557 -12.904 0.596 601 HG2 GLU 78 2HG GLU 78 -11.945 -13.597 2.804 602 HG3 GLU 78 3HG GLU 78 -13.171 -12.549 3.514 603 H VAL 79 HN VAL 79 -13.761 -9.334 1.973 604 HA VAL 79 HA VAL 79 -13.272 -9.271 4.864 605 HB VAL 79 HB VAL 79 -12.553 -7.129 4.110 606 HG11 VAL 79 1HG1 VAL 79 -13.983 -5.627 2.770 607 HG12 VAL 79 2HG1 VAL 79 -15.129 -6.952 2.559 608 HG13 VAL 79 3HG1 VAL 79 -13.498 -7.079 1.895 609 HG21 VAL 79 3HG2 VAL 79 -14.130 -5.611 5.202 610 HG22 VAL 79 1HG2 VAL 79 -13.903 -7.092 6.133 611 HG23 VAL 79 2HG2 VAL 79 -15.363 -6.871 5.170 612 H SER 80 HN SER 80 -14.827 -10.663 5.456 613 HA SER 80 HA SER 80 -16.810 -11.751 5.601 614 HB2 SER 80 2HB SER 80 -18.761 -10.231 6.099 615 HB3 SER 80 3HB SER 80 -17.323 -9.947 7.079 616 HG SER 80 HG SER 80 -17.265 -8.463 4.813 617 H GLY 81 HN GLY 81 -16.432 -12.505 3.306 618 HA2 GLY 81 2HA GLY 81 -17.668 -13.307 1.532 619 HA3 GLY 81 3HA GLY 81 -18.940 -12.166 1.925 620 H ARG 82 HN ARG 82 -16.809 -9.947 1.795 621 HA ARG 82 HA ARG 82 -17.099 -9.573 -1.095 622 HB2 ARG 82 2HB ARG 82 -16.289 -7.604 1.058 623 HB3 ARG 82 3HB ARG 82 -16.569 -7.211 -0.634 624 HG2 ARG 82 2HG ARG 82 -18.904 -7.983 -0.372 625 HG3 ARG 82 3HG ARG 82 -18.596 -8.223 1.346 626 HD2 ARG 82 2HD ARG 82 -18.131 -5.859 1.621 627 HD3 ARG 82 3HD ARG 82 -18.318 -5.598 -0.113 628 HE ARG 82 HE ARG 82 -20.670 -6.776 0.817 629 HH11 ARG 82 1HH1 ARG 82 -18.918 -3.767 1.321 630 HH12 ARG 82 2HH1 ARG 82 -20.365 -2.838 1.565 631 HH21 ARG 82 1HH2 ARG 82 -22.552 -5.528 1.143 632 HH22 ARG 82 2HH2 ARG 82 -22.415 -3.822 1.448 633 H ILE 83 HN ILE 83 -15.364 -9.279 -2.471 634 HA ILE 83 HA ILE 83 -12.837 -10.274 -1.373 635 HB ILE 83 HB ILE 83 -13.902 -10.164 -4.194 636 HG12 ILE 83 2HG1 ILE 83 -13.367 -12.627 -4.082 637 HG13 ILE 83 3HG1 ILE 83 -13.011 -12.411 -2.375 638 HG21 ILE 83 1HG2 ILE 83 -11.771 -11.097 -4.966 639 HG22 ILE 83 2HG2 ILE 83 -11.100 -10.893 -3.349 640 HG23 ILE 83 3HG2 ILE 83 -11.569 -9.480 -4.293 641 HD11 ILE 83 3HD1 ILE 83 -15.673 -11.910 -3.687 642 HD12 ILE 83 1HD1 ILE 83 -15.311 -11.743 -1.968 643 HD13 ILE 83 2HD1 ILE 83 -15.234 -13.329 -2.736 644 H ILE 84 HN ILE 84 -11.335 -8.865 -0.868 645 HA ILE 84 HA ILE 84 -11.335 -6.218 -2.091 646 HB ILE 84 HB ILE 84 -9.160 -6.629 -0.243 647 HG12 ILE 84 2HG1 ILE 84 -11.903 -7.473 0.636 648 HG13 ILE 84 3HG1 ILE 84 -10.343 -8.208 1.008 649 HG21 ILE 84 1HG2 ILE 84 -11.601 -4.900 0.008 650 HG22 ILE 84 2HG2 ILE 84 -10.195 -4.484 -0.981 651 HG23 ILE 84 3HG2 ILE 84 -10.029 -4.656 0.769 652 HD11 ILE 84 3HD1 ILE 84 -11.392 -5.588 2.061 653 HD12 ILE 84 1HD1 ILE 84 -9.792 -6.268 2.409 654 HD13 ILE 84 2HD1 ILE 84 -11.240 -7.111 2.957 655 H HIS 85 HN HIS 85 -9.816 -5.468 -3.380 656 HA HIS 85 HA HIS 85 -7.723 -7.342 -4.286 657 HB2 HIS 85 2HB HIS 85 -9.667 -6.876 -5.857 658 HB3 HIS 85 3HB HIS 85 -9.105 -5.215 -5.931 659 HD1 HIS 85 1HD HIS 85 -8.509 -5.215 -8.364 660 HD2 HIS 85 2HD HIS 85 -6.620 -8.251 -6.241 661 HE1 HIS 85 1HE HIS 85 -6.832 -6.214 -9.954 662 HE2 HIS 85 2HE HIS 85 -5.836 -8.165 -8.713 663 H LEU 86 HN LEU 86 -5.872 -6.579 -3.329 664 HA LEU 86 HA LEU 86 -5.542 -3.688 -3.060 665 HB2 LEU 86 2HB LEU 86 -4.152 -6.041 -1.820 666 HB3 LEU 86 3HB LEU 86 -3.462 -4.436 -1.730 667 HG LEU 86 HG LEU 86 -5.799 -3.793 -0.740 668 HD11 LEU 86 1HD1 LEU 86 -6.888 -5.918 -1.141 669 HD12 LEU 86 2HD1 LEU 86 -6.788 -5.589 0.590 670 HD13 LEU 86 3HD1 LEU 86 -5.680 -6.743 -0.155 671 HD21 LEU 86 3HD2 LEU 86 -3.699 -3.597 0.445 672 HD22 LEU 86 1HD2 LEU 86 -3.716 -5.324 0.803 673 HD23 LEU 86 2HD2 LEU 86 -4.940 -4.269 1.506 674 H HIS 87 HN HIS 87 -4.214 -2.533 -4.239 675 HA HIS 87 HA HIS 87 -2.320 -3.921 -6.040 676 HB2 HIS 87 2HB HIS 87 -3.420 -1.111 -6.332 677 HB3 HIS 87 3HB HIS 87 -2.459 -1.994 -7.507 678 HD1 HIS 87 1HD HIS 87 -3.694 -3.384 -9.186 679 HD2 HIS 87 2HD HIS 87 -6.126 -2.065 -6.073 680 HE1 HIS 87 1HE HIS 87 -6.056 -3.890 -9.900 681 HE2 HIS 87 2HE HIS 87 -7.513 -3.170 -7.962 682 H ALA 88 HN ALA 88 -0.249 -3.776 -5.283 683 HA ALA 88 HA ALA 88 0.462 -1.542 -3.543 684 HB1 ALA 88 1HB ALA 88 2.568 -2.768 -3.177 685 HB2 ALA 88 2HB ALA 88 2.026 -4.007 -4.310 686 HB3 ALA 88 3HB ALA 88 1.147 -3.743 -2.803 687 H TRP 89 HN TRP 89 1.306 0.229 -4.360 688 HA TRP 89 HA TRP 89 2.738 0.070 -6.925 689 HB2 TRP 89 2HB TRP 89 0.943 1.407 -7.440 690 HB3 TRP 89 3HB TRP 89 0.783 2.016 -5.800 691 HD1 TRP 89 1HD TRP 89 3.345 2.440 -8.706 692 HE1 TRP 89 1HE TRP 89 4.075 4.911 -8.735 693 HE3 TRP 89 3HE TRP 89 0.632 4.133 -4.729 694 HZ2 TRP 89 2HZ TRP 89 3.540 7.271 -7.281 695 HZ3 TRP 89 3HZ TRP 89 0.789 6.506 -4.115 696 HH2 TRP 89 2HH TRP 89 2.212 8.038 -5.365 697 H HIS 90 HN HIS 90 4.783 0.761 -7.022 698 HA HIS 90 HA HIS 90 6.068 1.751 -4.603 699 HB2 HIS 90 2HB HIS 90 7.240 0.010 -5.841 700 HB3 HIS 90 3HB HIS 90 7.153 0.954 -7.322 701 HD1 HIS 90 1HD HIS 90 9.441 1.713 -7.873 702 HD2 HIS 90 2HD HIS 90 8.688 1.915 -3.782 703 HE1 HIS 90 1HE HIS 90 11.510 2.701 -6.845 704 HE2 HIS 90 2HE HIS 90 11.138 2.547 -4.360 705 H VAL 91 HN VAL 91 6.496 3.853 -4.268 706 HA VAL 91 HA VAL 91 5.529 5.728 -6.265 707 HB VAL 91 HB VAL 91 6.665 6.330 -3.524 708 HG11 VAL 91 1HG1 VAL 91 6.543 8.255 -5.014 709 HG12 VAL 91 2HG1 VAL 91 5.373 8.395 -3.701 710 HG13 VAL 91 3HG1 VAL 91 4.836 7.925 -5.314 711 HG21 VAL 91 3HG2 VAL 91 3.796 5.816 -4.294 712 HG22 VAL 91 1HG2 VAL 91 4.352 6.382 -2.719 713 HG23 VAL 91 2HG2 VAL 91 4.807 4.777 -3.291 714 HA PRO 92 HA PRO 92 9.848 6.289 -7.451 715 HB2 PRO 92 2HB PRO 92 9.369 7.209 -9.922 716 HB3 PRO 92 3HB PRO 92 9.161 5.501 -9.524 717 HG2 PRO 92 2HG PRO 92 7.099 7.641 -9.823 718 HG3 PRO 92 3HG PRO 92 7.034 5.946 -10.347 719 HD2 PRO 92 2HD PRO 92 5.876 6.948 -8.037 720 HD3 PRO 92 3HD PRO 92 6.285 5.244 -8.310 721 H ASP 93 HN ASP 93 7.237 8.543 -7.281 722 HA ASP 93 HA ASP 93 9.014 10.733 -6.689 723 HB2 ASP 93 2HB ASP 93 9.036 10.897 -9.104 724 HB3 ASP 93 3HB ASP 93 7.289 10.736 -9.162 725 H PHE 94 HN PHE 94 8.057 12.162 -5.408 726 HA PHE 94 HA PHE 94 5.179 12.471 -5.318 727 HB2 PHE 94 2HB PHE 94 5.045 12.111 -2.874 728 HB3 PHE 94 3HB PHE 94 5.487 10.642 -3.732 729 HD1 PHE 94 1HD PHE 94 7.936 9.956 -3.744 730 HD2 PHE 94 2HD PHE 94 6.373 12.957 -1.162 731 HE1 PHE 94 1HE PHE 94 9.894 9.706 -2.276 732 HE2 PHE 94 2HE PHE 94 8.333 12.717 0.307 733 HZ PHE 94 HZ PHE 94 10.095 11.092 -0.248 734 H HIS 95 HN HIS 95 4.540 14.492 -4.614 735 HA HIS 95 HA HIS 95 6.761 16.349 -4.029 736 HB2 HIS 95 2HB HIS 95 4.127 16.872 -5.427 737 HB3 HIS 95 3HB HIS 95 5.360 18.086 -5.110 738 HD1 HIS 95 1HD HIS 95 7.579 17.912 -6.537 739 HD2 HIS 95 2HD HIS 95 4.600 15.197 -7.568 740 HE1 HIS 95 1HE HIS 95 8.277 16.931 -8.746 741 HE2 HIS 95 2HE HIS 95 6.615 15.087 -9.172 742 H GLY 96 HN GLY 96 6.586 17.744 -2.331 743 HA2 GLY 96 2HA GLY 96 5.250 18.918 -0.678 744 HA3 GLY 96 3HA GLY 96 4.112 17.575 -0.720 745 H THR 97 HN THR 97 4.398 17.579 1.648 746 HA THR 97 HA THR 97 6.822 16.094 2.394 747 HB THR 97 HB THR 97 5.308 18.029 4.160 748 HG1 THR 97 1HG THR 97 7.155 18.461 2.248 749 HG21 THR 97 3HG2 THR 97 7.239 17.780 5.654 750 HG22 THR 97 1HG2 THR 97 7.944 16.602 4.550 751 HG23 THR 97 2HG2 THR 97 6.437 16.233 5.387 752 H LEU 98 HN LEU 98 6.482 14.209 3.393 753 HA LEU 98 HA LEU 98 3.758 13.281 3.454 754 HB2 LEU 98 2HB LEU 98 5.002 11.117 4.288 755 HB3 LEU 98 3HB LEU 98 4.979 11.585 2.600 756 HG LEU 98 HG LEU 98 7.237 12.801 3.266 757 HD11 LEU 98 1HD1 LEU 98 8.517 11.483 4.869 758 HD12 LEU 98 2HD1 LEU 98 7.088 10.518 5.229 759 HD13 LEU 98 3HD1 LEU 98 7.118 12.232 5.635 760 HD21 LEU 98 3HD2 LEU 98 7.014 9.838 2.786 761 HD22 LEU 98 1HD2 LEU 98 8.416 10.851 2.440 762 HD23 LEU 98 2HD2 LEU 98 6.911 11.088 1.545 763 H GLN 99 HN GLN 99 2.496 13.245 5.062 764 HA GLN 99 HA GLN 99 3.540 13.233 7.798 765 HB2 GLN 99 2HB GLN 99 2.043 15.026 8.432 766 HB3 GLN 99 3HB GLN 99 3.014 15.568 7.061 767 HG2 GLN 99 2HG GLN 99 1.154 15.128 5.556 768 HG3 GLN 99 3HG GLN 99 0.171 14.587 6.916 769 HE21 GLN 99 1HE2 GLN 99 -1.370 16.150 6.580 770 HE22 GLN 99 2HE2 GLN 99 -1.091 17.824 6.943 771 H ALA 100 HN ALA 100 1.645 12.749 9.363 772 HA ALA 100 HA ALA 100 -0.046 10.710 8.069 773 HB1 ALA 100 1HB ALA 100 0.833 10.896 10.946 774 HB2 ALA 100 2HB ALA 100 1.479 9.803 9.721 775 HB3 ALA 100 3HB ALA 100 -0.189 9.631 10.263 776 H HIS 101 HN HIS 101 -2.139 11.084 7.891 777 HA HIS 101 HA HIS 101 -3.403 13.149 9.517 778 HB2 HIS 101 2HB HIS 101 -3.818 13.360 7.167 779 HB3 HIS 101 3HB HIS 101 -4.234 11.660 7.019 780 HD1 HIS 101 1HD HIS 101 -6.658 11.256 6.799 781 HD2 HIS 101 2HD HIS 101 -5.852 14.735 8.951 782 HE1 HIS 101 1HE HIS 101 -8.896 12.273 7.326 783 HE2 HIS 101 2HE HIS 101 -8.381 14.452 8.477 784 H GLU 102 HN GLU 102 -4.561 10.018 8.270 785 HA GLU 102 HA GLU 102 -6.161 9.596 10.620 786 HB2 GLU 102 2HB GLU 102 -5.685 8.146 8.044 787 HB3 GLU 102 3HB GLU 102 -6.487 7.306 9.380 788 HG2 GLU 102 2HG GLU 102 -7.397 9.832 8.017 789 HG3 GLU 102 3HG GLU 102 -8.140 8.238 7.907 790 H HIS 103 HN HIS 103 -3.118 8.406 9.379 791 HA HIS 103 HA HIS 103 -2.949 6.302 11.354 792 HB2 HIS 103 2HB HIS 103 -0.825 7.307 9.436 793 HB3 HIS 103 3HB HIS 103 -0.720 5.860 10.426 794 HD1 HIS 103 1HD HIS 103 -2.738 7.220 7.500 795 HD2 HIS 103 2HD HIS 103 -1.742 3.603 9.286 796 HE1 HIS 103 1HE HIS 103 -3.569 5.444 5.934 797 HE2 HIS 103 2HE HIS 103 -3.107 3.257 7.114 798 H GLN 104 HN GLN 104 -0.872 6.220 12.716 799 HA GLN 104 HA GLN 104 -0.982 8.622 14.324 800 HB2 GLN 104 2HB GLN 104 -1.105 6.385 15.355 801 HB3 GLN 104 3HB GLN 104 0.524 6.044 14.785 802 HG2 GLN 104 2HG GLN 104 1.326 7.977 16.134 803 HG3 GLN 104 3HG GLN 104 -0.304 8.119 16.795 804 HE21 GLN 104 1HE2 GLN 104 2.235 7.528 18.122 805 HE22 GLN 104 2HE2 GLN 104 2.012 6.001 18.924 806 H ALA 105 HN ALA 105 1.790 6.625 13.282 807 HA ALA 105 HA ALA 105 3.291 9.090 12.767 808 HB1 ALA 105 1HB ALA 105 5.228 8.229 13.984 809 HB2 ALA 105 2HB ALA 105 4.301 6.808 14.468 810 HB3 ALA 105 3HB ALA 105 3.834 8.407 15.051 811 H LEU 106 HN LEU 106 5.425 8.578 11.668 812 HA LEU 106 HA LEU 106 5.005 6.371 9.750 813 HB2 LEU 106 2HB LEU 106 6.458 8.977 9.245 814 HB3 LEU 106 3HB LEU 106 6.167 7.709 8.078 815 HG LEU 106 HG LEU 106 4.661 9.376 7.498 816 HD11 LEU 106 1HD1 LEU 106 3.578 7.208 7.598 817 HD12 LEU 106 2HD1 LEU 106 2.441 8.503 7.969 818 HD13 LEU 106 3HD1 LEU 106 3.100 7.508 9.269 819 HD21 LEU 106 3HD2 LEU 106 4.924 10.793 9.445 820 HD22 LEU 106 1HD2 LEU 106 3.948 9.683 10.407 821 HD23 LEU 106 2HD2 LEU 106 3.216 10.567 9.067 822 H VAL 107 HN VAL 107 6.724 5.002 9.411 823 HA VAL 107 HA VAL 107 9.332 5.861 10.469 824 HB VAL 107 HB VAL 107 8.226 4.136 11.959 825 HG11 VAL 107 1HG1 VAL 107 8.307 1.795 11.234 826 HG12 VAL 107 2HG1 VAL 107 8.770 2.321 9.616 827 HG13 VAL 107 3HG1 VAL 107 7.188 2.751 10.263 828 HG21 VAL 107 3HG2 VAL 107 10.279 2.833 12.255 829 HG22 VAL 107 1HG2 VAL 107 10.620 4.547 12.019 830 HG23 VAL 107 2HG2 VAL 107 10.864 3.408 10.694 831 H TRP 108 HN TRP 108 11.047 5.498 9.158 832 HA TRP 108 HA TRP 108 10.532 4.214 6.583 833 HB2 TRP 108 2HB TRP 108 12.763 6.028 7.520 834 HB3 TRP 108 3HB TRP 108 12.725 5.260 5.937 835 HD1 TRP 108 1HD TRP 108 10.967 7.988 7.982 836 HE1 TRP 108 1HE TRP 108 9.701 9.529 6.357 837 HE3 TRP 108 3HE TRP 108 11.659 5.342 3.668 838 HZ2 TRP 108 2HZ TRP 108 9.081 9.607 3.594 839 HZ3 TRP 108 3HZ TRP 108 10.702 6.214 1.577 840 HH2 TRP 108 2HH TRP 108 9.439 8.304 1.542 841 H CYS 109 HN CYS 109 11.040 2.130 6.482 842 HA CYS 109 HA CYS 109 13.616 1.309 7.622 843 HB2 CYS 109 2HB CYS 109 12.625 -0.838 8.372 844 HB3 CYS 109 3HB CYS 109 11.979 0.549 9.237 845 HG CYS 109 HG CYS 109 10.038 0.002 6.677 846 H SER 110 HN SER 110 14.536 -0.558 6.602 847 HA SER 110 HA SER 110 14.222 -0.390 3.767 848 HB2 SER 110 2HB SER 110 15.903 -2.316 5.389 849 HB3 SER 110 3HB SER 110 16.130 -1.877 3.693 850 HG SER 110 HG SER 110 16.957 -0.585 5.942 851 HA PRO 111 HA PRO 111 11.449 -3.577 2.602 852 HB2 PRO 111 2HB PRO 111 13.159 -5.407 1.294 853 HB3 PRO 111 3HB PRO 111 12.229 -4.101 0.557 854 HG2 PRO 111 2HG PRO 111 15.088 -4.166 1.368 855 HG3 PRO 111 3HG PRO 111 14.317 -3.302 0.025 856 HD2 PRO 111 2HD PRO 111 15.121 -2.014 2.220 857 HD3 PRO 111 3HD PRO 111 13.620 -1.557 1.390 858 H GLU 112 HN GLU 112 14.509 -5.206 3.541 859 HA GLU 112 HA GLU 112 13.113 -7.518 4.450 860 HB2 GLU 112 2HB GLU 112 15.299 -8.216 5.425 861 HB3 GLU 112 3HB GLU 112 15.360 -7.829 3.714 862 HG2 GLU 112 2HG GLU 112 16.143 -5.846 5.819 863 HG3 GLU 112 3HG GLU 112 17.274 -7.035 5.179 864 H GLU 113 HN GLU 113 14.013 -4.538 5.969 865 HA GLU 113 HA GLU 113 13.595 -5.398 8.653 866 HB2 GLU 113 2HB GLU 113 13.694 -2.723 7.298 867 HB3 GLU 113 3HB GLU 113 13.171 -2.850 8.972 868 HG2 GLU 113 2HG GLU 113 15.813 -3.828 7.915 869 HG3 GLU 113 3HG GLU 113 15.554 -2.287 8.731 870 H ALA 114 HN ALA 114 11.551 -3.989 6.154 871 HA ALA 114 HA ALA 114 9.386 -3.236 7.753 872 HB1 ALA 114 1HB ALA 114 9.320 -4.070 4.861 873 HB2 ALA 114 2HB ALA 114 9.736 -2.460 5.450 874 HB3 ALA 114 3HB ALA 114 8.112 -3.100 5.702 875 H LEU 115 HN LEU 115 10.094 -6.307 6.177 876 HA LEU 115 HA LEU 115 7.502 -7.391 6.729 877 HB2 LEU 115 2HB LEU 115 9.479 -8.006 4.964 878 HB3 LEU 115 3HB LEU 115 9.702 -9.264 6.162 879 HG LEU 115 HG LEU 115 8.179 -9.725 4.111 880 HD11 LEU 115 1HD1 LEU 115 6.700 -11.152 5.447 881 HD12 LEU 115 2HD1 LEU 115 7.224 -10.315 6.910 882 HD13 LEU 115 3HD1 LEU 115 8.379 -11.267 5.974 883 HD21 LEU 115 3HD2 LEU 115 6.873 -7.601 4.449 884 HD22 LEU 115 1HD2 LEU 115 6.158 -8.350 5.874 885 HD23 LEU 115 2HD2 LEU 115 5.900 -9.062 4.283 886 H GLN 116 HN GLN 116 10.222 -6.858 8.620 887 HA GLN 116 HA GLN 116 9.592 -9.016 10.483 888 HB2 GLN 116 2HB GLN 116 11.677 -6.834 10.616 889 HB3 GLN 116 3HB GLN 116 11.466 -8.094 11.822 890 HG2 GLN 116 2HG GLN 116 11.928 -9.769 10.027 891 HG3 GLN 116 3HG GLN 116 12.333 -8.419 8.964 892 HE21 GLN 116 1HE2 GLN 116 13.297 -10.290 11.708 893 HE22 GLN 116 2HE2 GLN 116 14.900 -9.650 11.853 894 H TYR 117 HN TYR 117 8.393 -6.070 9.748 895 HA TYR 117 HA TYR 117 7.748 -5.331 12.501 896 HB2 TYR 117 2HB TYR 117 7.450 -3.954 9.846 897 HB3 TYR 117 3HB TYR 117 6.491 -3.427 11.223 898 HD1 TYR 117 1HD TYR 117 9.975 -3.957 10.075 899 HD2 TYR 117 2HD TYR 117 7.421 -1.994 12.845 900 HE1 TYR 117 1HE TYR 117 11.872 -2.595 10.844 901 HE2 TYR 117 2HE TYR 117 9.309 -0.627 13.625 902 HH TYR 117 HH TYR 117 11.770 -0.766 13.688 903 HA PRO 118 HA PRO 118 3.726 -7.125 12.306 904 HB2 PRO 118 2HB PRO 118 2.225 -5.366 13.718 905 HB3 PRO 118 3HB PRO 118 3.406 -6.439 14.477 906 HG2 PRO 118 2HG PRO 118 3.661 -3.551 13.743 907 HG3 PRO 118 3HG PRO 118 4.199 -4.383 15.214 908 HD2 PRO 118 2HD PRO 118 5.877 -3.752 13.170 909 HD3 PRO 118 3HD PRO 118 6.118 -5.168 14.210 910 H LEU 119 HN LEU 119 3.822 -6.573 9.932 911 HA LEU 119 HA LEU 119 2.177 -4.383 9.030 912 HB2 LEU 119 2HB LEU 119 3.431 -6.737 7.621 913 HB3 LEU 119 3HB LEU 119 2.440 -5.554 6.792 914 HG LEU 119 HG LEU 119 5.065 -5.002 8.192 915 HD11 LEU 119 1HD1 LEU 119 5.917 -4.609 5.947 916 HD12 LEU 119 2HD1 LEU 119 4.348 -5.031 5.262 917 HD13 LEU 119 3HD1 LEU 119 5.300 -6.255 6.102 918 HD21 LEU 119 3HD2 LEU 119 3.276 -3.167 6.597 919 HD22 LEU 119 1HD2 LEU 119 4.867 -2.762 7.241 920 HD23 LEU 119 2HD2 LEU 119 3.532 -3.104 8.341 921 H ALA 120 HN ALA 120 0.153 -4.611 7.964 922 HA ALA 120 HA ALA 120 -1.651 -6.433 9.124 923 HB1 ALA 120 1HB ALA 120 -2.362 -4.280 8.218 924 HB2 ALA 120 2HB ALA 120 -3.263 -5.604 7.475 925 HB3 ALA 120 3HB ALA 120 -1.955 -4.821 6.588 926 HA PRO 121 HA PRO 121 -1.222 -10.207 6.956 927 HB2 PRO 121 2HB PRO 121 -3.863 -10.785 6.315 928 HB3 PRO 121 3HB PRO 121 -3.079 -11.133 7.858 929 HG2 PRO 121 2HG PRO 121 -4.848 -8.849 7.102 930 HG3 PRO 121 3HG PRO 121 -4.773 -9.757 8.623 931 HD2 PRO 121 2HD PRO 121 -3.694 -7.315 8.394 932 HD3 PRO 121 3HD PRO 121 -2.920 -8.579 9.375 933 H ALA 122 HN ALA 122 -2.826 -7.586 5.334 934 HA ALA 122 HA ALA 122 -2.729 -8.939 2.754 935 HB1 ALA 122 1HB ALA 122 -3.601 -6.134 3.432 936 HB2 ALA 122 2HB ALA 122 -4.661 -7.532 3.260 937 HB3 ALA 122 3HB ALA 122 -3.769 -6.925 1.863 938 H ASP 123 HN ASP 123 -0.872 -6.791 4.667 939 HA ASP 123 HA ASP 123 0.536 -5.522 2.492 940 HB2 ASP 123 2HB ASP 123 0.958 -5.475 5.488 941 HB3 ASP 123 3HB ASP 123 1.899 -4.524 4.347 942 H ILE 124 HN ILE 124 0.851 -8.346 4.399 943 HA ILE 124 HA ILE 124 3.649 -8.642 4.425 944 HB ILE 124 HB ILE 124 1.505 -10.766 4.516 945 HG12 ILE 124 2HG1 ILE 124 1.370 -9.130 6.350 946 HG13 ILE 124 3HG1 ILE 124 1.855 -10.717 6.937 947 HG21 ILE 124 1HG2 ILE 124 3.647 -11.718 3.845 948 HG22 ILE 124 2HG2 ILE 124 3.217 -12.225 5.477 949 HG23 ILE 124 3HG2 ILE 124 4.427 -10.965 5.237 950 HD11 ILE 124 3HD1 ILE 124 3.124 -8.976 8.027 951 HD12 ILE 124 1HD1 ILE 124 3.668 -8.363 6.466 952 HD13 ILE 124 2HD1 ILE 124 4.183 -9.958 7.015 953 HA PRO 125 HA PRO 125 3.145 -11.489 0.483 954 HB2 PRO 125 2HB PRO 125 0.863 -10.963 -1.001 955 HB3 PRO 125 3HB PRO 125 1.065 -12.330 0.102 956 HG2 PRO 125 2HG PRO 125 -0.294 -9.715 0.552 957 HG3 PRO 125 3HG PRO 125 -0.771 -11.336 1.089 958 HD2 PRO 125 2HD PRO 125 0.365 -9.572 2.762 959 HD3 PRO 125 3HD PRO 125 0.697 -11.312 2.876 960 H LEU 126 HN LEU 126 1.985 -8.196 0.630 961 HA LEU 126 HA LEU 126 2.772 -7.520 -2.049 962 HB2 LEU 126 2HB LEU 126 2.134 -5.741 0.311 963 HB3 LEU 126 3HB LEU 126 2.321 -5.201 -1.346 964 HG LEU 126 HG LEU 126 0.162 -7.063 -0.349 965 HD11 LEU 126 1HD1 LEU 126 -1.340 -5.174 -0.776 966 HD12 LEU 126 2HD1 LEU 126 0.053 -4.161 -1.161 967 HD13 LEU 126 3HD1 LEU 126 -0.148 -4.802 0.471 968 HD21 LEU 126 3HD2 LEU 126 -0.820 -6.740 -2.574 969 HD22 LEU 126 1HD2 LEU 126 0.755 -7.530 -2.659 970 HD23 LEU 126 2HD2 LEU 126 0.603 -5.820 -3.062 971 H LEU 127 HN LEU 127 4.089 -6.975 1.204 972 HA LEU 127 HA LEU 127 6.420 -5.626 0.259 973 HB2 LEU 127 2HB LEU 127 5.415 -5.470 2.585 974 HB3 LEU 127 3HB LEU 127 6.114 -7.042 2.903 975 HG LEU 127 HG LEU 127 7.409 -5.027 3.752 976 HD11 LEU 127 1HD1 LEU 127 8.848 -6.920 1.901 977 HD12 LEU 127 2HD1 LEU 127 8.453 -7.219 3.594 978 HD13 LEU 127 3HD1 LEU 127 9.595 -5.945 3.167 979 HD21 LEU 127 3HD2 LEU 127 7.994 -4.741 0.813 980 HD22 LEU 127 1HD2 LEU 127 8.844 -3.901 2.109 981 HD23 LEU 127 2HD2 LEU 127 7.132 -3.587 1.832 982 H GLU 128 HN GLU 128 5.608 -8.968 1.045 983 HA GLU 128 HA GLU 128 8.054 -10.210 0.966 984 HB2 GLU 128 2HB GLU 128 5.302 -10.995 0.082 985 HB3 GLU 128 3HB GLU 128 6.649 -12.063 -0.281 986 HG2 GLU 128 2HG GLU 128 6.316 -11.102 2.510 987 HG3 GLU 128 3HG GLU 128 5.216 -12.339 1.901 988 H ALA 129 HN ALA 129 5.990 -9.313 -1.792 989 HA ALA 129 HA ALA 129 7.928 -10.303 -3.670 990 HB1 ALA 129 1HB ALA 129 6.451 -9.511 -5.391 991 HB2 ALA 129 2HB ALA 129 5.478 -8.641 -4.198 992 HB3 ALA 129 3HB ALA 129 5.541 -10.406 -4.172 993 H PHE 130 HN PHE 130 7.539 -7.357 -1.962 994 HA PHE 130 HA PHE 130 8.742 -5.687 -3.965 995 HB2 PHE 130 2HB PHE 130 7.247 -4.821 -2.139 996 HB3 PHE 130 3HB PHE 130 8.523 -5.201 -0.986 997 HD1 PHE 130 2HD PHE 130 7.518 -3.031 -3.745 998 HD2 PHE 130 1HD PHE 130 10.504 -3.849 -0.835 999 HE1 PHE 130 2HE PHE 130 8.526 -0.833 -4.175 1000 HE2 PHE 130 1HE PHE 130 11.529 -1.651 -1.263 1001 HZ PHE 130 HZ PHE 130 10.536 -0.140 -2.937 1002 H MET 131 HN MET 131 9.755 -7.204 -0.918 1003 HA MET 131 HA MET 131 12.498 -6.585 -1.259 1004 HB2 MET 131 2HB MET 131 12.921 -8.160 0.541 1005 HB3 MET 131 3HB MET 131 11.537 -7.153 0.941 1006 HG2 MET 131 2HG MET 131 10.043 -8.990 0.288 1007 HG3 MET 131 3HG MET 131 11.451 -9.997 -0.043 1008 HE1 MET 131 3HE MET 131 13.401 -9.023 2.339 1009 HE2 MET 131 1HE MET 131 13.220 -10.709 1.851 1010 HE3 MET 131 2HE MET 131 13.056 -10.261 3.548 1011 H ALA 132 HN ALA 132 10.503 -9.416 -2.183 1012 HA ALA 132 HA ALA 132 12.460 -10.956 -3.365 1013 HB1 ALA 132 1HB ALA 132 10.143 -11.676 -3.132 1014 HB2 ALA 132 2HB ALA 132 10.660 -11.805 -4.813 1015 HB3 ALA 132 3HB ALA 132 9.622 -10.462 -4.309 1016 H LEU 133 HN LEU 133 10.727 -8.157 -4.672 1017 HA LEU 133 HA LEU 133 11.739 -8.373 -7.297 1018 HB2 LEU 133 2HB LEU 133 9.929 -6.715 -5.905 1019 HB3 LEU 133 3HB LEU 133 11.126 -5.653 -6.622 1020 HG LEU 133 HG LEU 133 10.665 -6.628 -8.835 1021 HD11 LEU 133 1HD1 LEU 133 9.981 -8.850 -8.180 1022 HD12 LEU 133 2HD1 LEU 133 8.699 -8.086 -9.118 1023 HD13 LEU 133 3HD1 LEU 133 8.557 -8.206 -7.361 1024 HD21 LEU 133 3HD2 LEU 133 8.206 -5.648 -7.392 1025 HD22 LEU 133 1HD2 LEU 133 8.451 -5.651 -9.139 1026 HD23 LEU 133 2HD2 LEU 133 9.460 -4.636 -8.110 1027 H ARG 134 HN ARG 134 12.956 -6.772 -4.397 1028 HA ARG 134 HA ARG 134 15.028 -5.449 -5.906 1029 HB2 ARG 134 2HB ARG 134 14.592 -5.652 -2.926 1030 HB3 ARG 134 3HB ARG 134 15.823 -4.664 -3.701 1031 HG2 ARG 134 2HG ARG 134 13.955 -3.492 -4.913 1032 HG3 ARG 134 3HG ARG 134 12.841 -4.346 -3.845 1033 HD2 ARG 134 2HD ARG 134 13.258 -2.176 -2.924 1034 HD3 ARG 134 3HD ARG 134 14.051 -3.377 -1.906 1035 HE ARG 134 HE ARG 134 16.106 -2.736 -3.364 1036 HH11 ARG 134 1HH1 ARG 134 13.605 -0.558 -2.257 1037 HH12 ARG 134 2HH1 ARG 134 14.633 0.836 -2.232 1038 HH21 ARG 134 1HH2 ARG 134 17.486 -0.921 -3.306 1039 HH22 ARG 134 2HH2 ARG 134 16.860 0.618 -2.803 1040 H ALA 135 HN ALA 135 14.634 -8.510 -4.404 1041 HA ALA 135 HA ALA 135 17.505 -8.903 -4.068 1042 HB1 ALA 135 1HB ALA 135 16.900 -11.069 -3.124 1043 HB2 ALA 135 2HB ALA 135 15.212 -10.800 -3.561 1044 HB3 ALA 135 3HB ALA 135 15.985 -9.775 -2.352 1045 H ALA 136 HN ALA 136 14.820 -10.030 -6.060 1046 HA ALA 136 HA ALA 136 16.570 -11.707 -7.663 1047 HB1 ALA 136 1HB ALA 136 14.556 -12.265 -8.923 1048 HB2 ALA 136 2HB ALA 136 13.648 -11.046 -8.029 1049 HB3 ALA 136 3HB ALA 136 14.289 -12.460 -7.191 1050 H ARG 137 HN ARG 137 15.146 -8.590 -7.684 1051 HA ARG 137 HA ARG 137 15.097 -6.832 -9.069 1052 HB2 ARG 137 2HB ARG 137 17.250 -6.063 -9.860 1053 HB3 ARG 137 3HB ARG 137 17.379 -6.728 -8.242 1054 HG2 ARG 137 2HG ARG 137 18.346 -8.771 -9.152 1055 HG3 ARG 137 3HG ARG 137 18.196 -8.118 -10.784 1056 HD2 ARG 137 2HD ARG 137 19.622 -6.183 -9.988 1057 HD3 ARG 137 3HD ARG 137 19.944 -7.141 -8.543 1058 HE ARG 137 HE ARG 137 20.464 -8.605 -10.937 1059 HH11 ARG 137 1HH1 ARG 137 21.811 -6.235 -8.728 1060 HH12 ARG 137 2HH1 ARG 137 23.454 -6.545 -9.213 1061 HH21 ARG 137 1HH2 ARG 137 22.610 -9.029 -11.543 1062 HH22 ARG 137 2HH2 ARG 137 23.911 -8.150 -10.795 1063 HA PRO 138 HA PRO 138 14.016 -8.574 -13.106 1064 HB2 PRO 138 2HB PRO 138 11.936 -6.883 -13.492 1065 HB3 PRO 138 3HB PRO 138 11.784 -8.369 -12.546 1066 HG2 PRO 138 2HG PRO 138 12.174 -5.556 -11.605 1067 HG3 PRO 138 3HG PRO 138 11.079 -6.802 -10.976 1068 HD2 PRO 138 2HD PRO 138 13.450 -6.214 -9.805 1069 HD3 PRO 138 3HD PRO 138 12.750 -7.844 -9.781 1070 H ALA 139 HN ALA 139 15.107 -7.842 -14.828 1071 HA ALA 139 HA ALA 139 16.534 -5.401 -14.724 1072 HB1 ALA 139 1HB ALA 139 17.365 -5.986 -16.921 1073 HB2 ALA 139 2HB ALA 139 16.115 -7.217 -17.093 1074 HB3 ALA 139 3HB ALA 139 17.372 -7.402 -15.872 1075 H ASP 140 HN ASP 140 14.271 -6.414 -17.281 1076 HA ASP 140 HA ASP 140 12.868 -3.896 -17.108 1077 HB2 ASP 140 2HB ASP 140 14.846 -3.404 -18.567 1078 HB3 ASP 140 3HB ASP 140 14.270 -4.638 -19.685 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -18.833 -22.355 -0.536 2 H2 GLY 1 2H GLY 1 -19.815 -23.603 0.059 3 H3 GLY 1 3H GLY 1 -19.306 -22.361 1.096 4 HA2 GLY 1 3HA GLY 1 -21.579 -21.977 0.522 5 HA3 GLY 1 2HA GLY 1 -20.569 -20.749 -0.230 6 HA PRO 2 HA PRO 2 -22.852 -23.605 -3.388 7 HB2 PRO 2 2HB PRO 2 -25.443 -22.796 -3.329 8 HB3 PRO 2 3HB PRO 2 -24.835 -24.150 -2.373 9 HG2 PRO 2 2HG PRO 2 -25.390 -21.339 -1.537 10 HG3 PRO 2 3HG PRO 2 -25.698 -22.851 -0.666 11 HD2 PRO 2 2HD PRO 2 -23.577 -21.216 -0.147 12 HD3 PRO 2 3HD PRO 2 -23.553 -22.968 0.133 13 H LEU 3 HN LEU 3 -23.604 -20.252 -2.535 14 HA LEU 3 HA LEU 3 -23.922 -19.507 -5.316 15 HB2 LEU 3 2HB LEU 3 -23.995 -17.891 -2.765 16 HB3 LEU 3 3HB LEU 3 -24.125 -17.171 -4.355 17 HG LEU 3 HG LEU 3 -26.326 -17.326 -3.543 18 HD11 LEU 3 1HD1 LEU 3 -27.415 -18.905 -5.065 19 HD12 LEU 3 2HD1 LEU 3 -25.856 -19.666 -5.375 20 HD13 LEU 3 3HD1 LEU 3 -26.130 -17.991 -5.853 21 HD21 LEU 3 3HD2 LEU 3 -27.319 -19.406 -2.684 22 HD22 LEU 3 1HD2 LEU 3 -25.976 -18.839 -1.691 23 HD23 LEU 3 2HD2 LEU 3 -25.743 -20.189 -2.802 24 H GLY 4 HN GLY 4 -21.917 -18.127 -2.713 25 HA2 GLY 4 2HA GLY 4 -19.633 -17.651 -2.760 26 HA3 GLY 4 3HA GLY 4 -19.570 -18.222 -4.424 27 H SER 5 HN SER 5 -22.082 -16.051 -3.629 28 HA SER 5 HA SER 5 -21.202 -14.115 -5.500 29 HB2 SER 5 2HB SER 5 -23.336 -13.784 -3.380 30 HB3 SER 5 3HB SER 5 -23.205 -12.917 -4.912 31 HG SER 5 HG SER 5 -23.429 -15.065 -5.917 32 H MET 6 HN MET 6 -19.285 -13.188 -4.960 33 HA MET 6 HA MET 6 -19.187 -11.721 -2.417 34 HB2 MET 6 2HB MET 6 -16.918 -13.193 -3.772 35 HB3 MET 6 3HB MET 6 -16.763 -12.202 -2.327 36 HG2 MET 6 2HG MET 6 -18.172 -13.710 -1.089 37 HG3 MET 6 3HG MET 6 -18.479 -14.666 -2.537 38 HE1 MET 6 3HE MET 6 -16.633 -16.128 -3.759 39 HE2 MET 6 1HE MET 6 -14.951 -16.225 -3.232 40 HE3 MET 6 2HE MET 6 -15.584 -14.715 -3.887 41 H LYS 7 HN LYS 7 -18.916 -9.613 -2.680 42 HA LYS 7 HA LYS 7 -18.157 -8.627 -5.322 43 HB2 LYS 7 2HB LYS 7 -19.375 -7.262 -2.912 44 HB3 LYS 7 3HB LYS 7 -18.918 -6.415 -4.387 45 HG2 LYS 7 2HG LYS 7 -20.479 -7.734 -5.675 46 HG3 LYS 7 3HG LYS 7 -20.891 -8.684 -4.249 47 HD2 LYS 7 2HD LYS 7 -21.323 -5.711 -4.503 48 HD3 LYS 7 3HD LYS 7 -22.562 -6.929 -4.816 49 HE2 LYS 7 2HE LYS 7 -22.152 -7.764 -2.468 50 HE3 LYS 7 3HE LYS 7 -21.187 -6.309 -2.214 51 HZ1 LYS 7 3HZ LYS 7 -23.174 -5.006 -2.872 52 HZ2 LYS 7 1HZ LYS 7 -23.385 -5.898 -1.445 53 HZ3 LYS 7 2HZ LYS 7 -24.068 -6.446 -2.892 54 H MET 8 HN MET 8 -16.684 -6.666 -5.361 55 HA MET 8 HA MET 8 -14.428 -7.343 -3.615 56 HB2 MET 8 2HB MET 8 -14.504 -6.461 -6.485 57 HB3 MET 8 3HB MET 8 -13.042 -6.323 -5.519 58 HG2 MET 8 2HG MET 8 -13.101 -8.736 -5.100 59 HG3 MET 8 3HG MET 8 -14.544 -8.869 -6.103 60 HE1 MET 8 3HE MET 8 -11.944 -10.622 -6.541 61 HE2 MET 8 1HE MET 8 -11.759 -10.553 -8.294 62 HE3 MET 8 2HE MET 8 -13.362 -10.745 -7.582 63 H ILE 9 HN ILE 9 -13.344 -5.890 -2.575 64 HA ILE 9 HA ILE 9 -14.148 -3.062 -2.766 65 HB ILE 9 HB ILE 9 -12.780 -4.563 -0.527 66 HG12 ILE 9 2HG1 ILE 9 -15.588 -3.506 -0.818 67 HG13 ILE 9 3HG1 ILE 9 -15.093 -5.180 -0.603 68 HG21 ILE 9 1HG2 ILE 9 -13.772 -1.731 -0.384 69 HG22 ILE 9 2HG2 ILE 9 -12.110 -2.150 -0.803 70 HG23 ILE 9 3HG2 ILE 9 -12.758 -2.611 0.777 71 HD11 ILE 9 3HD1 ILE 9 -14.945 -2.965 1.425 72 HD12 ILE 9 1HD1 ILE 9 -14.241 -4.569 1.651 73 HD13 ILE 9 2HD1 ILE 9 -15.987 -4.388 1.455 74 H GLU 10 HN GLU 10 -12.652 -1.798 -3.767 75 HA GLU 10 HA GLU 10 -10.101 -3.080 -4.418 76 HB2 GLU 10 2HB GLU 10 -11.438 -0.644 -5.637 77 HB3 GLU 10 3HB GLU 10 -9.947 -1.378 -6.205 78 HG2 GLU 10 2HG GLU 10 -12.269 -3.178 -6.032 79 HG3 GLU 10 3HG GLU 10 -12.372 -1.897 -7.238 80 H VAL 11 HN VAL 11 -8.266 -2.414 -3.453 81 HA VAL 11 HA VAL 11 -8.218 0.275 -2.282 82 HB VAL 11 HB VAL 11 -7.287 -2.247 -0.888 83 HG11 VAL 11 1HG1 VAL 11 -7.100 0.622 0.020 84 HG12 VAL 11 2HG1 VAL 11 -5.751 -0.379 -0.514 85 HG13 VAL 11 3HG1 VAL 11 -6.631 -0.798 0.955 86 HG21 VAL 11 3HG2 VAL 11 -8.953 -1.671 0.809 87 HG22 VAL 11 1HG2 VAL 11 -9.704 -1.924 -0.766 88 HG23 VAL 11 2HG2 VAL 11 -9.463 -0.287 -0.157 89 H VAL 12 HN VAL 12 -6.518 1.349 -2.954 90 HA VAL 12 HA VAL 12 -4.321 -0.142 -4.186 91 HB VAL 12 HB VAL 12 -3.666 2.182 -5.041 92 HG11 VAL 12 1HG1 VAL 12 -5.330 2.091 -6.864 93 HG12 VAL 12 2HG1 VAL 12 -6.265 0.929 -5.924 94 HG13 VAL 12 3HG1 VAL 12 -4.648 0.509 -6.489 95 HG21 VAL 12 3HG2 VAL 12 -5.018 3.497 -3.482 96 HG22 VAL 12 1HG2 VAL 12 -6.489 2.790 -4.150 97 HG23 VAL 12 2HG2 VAL 12 -5.481 3.834 -5.151 98 H ALA 13 HN ALA 13 -2.257 -0.041 -3.414 99 HA ALA 13 HA ALA 13 -1.933 1.444 -0.896 100 HB1 ALA 13 1HB ALA 13 -0.607 -0.389 -0.025 101 HB2 ALA 13 2HB ALA 13 -0.788 -1.276 -1.539 102 HB3 ALA 13 3HB ALA 13 -2.196 -0.980 -0.515 103 H ALA 14 HN ALA 14 -0.195 2.657 -0.686 104 HA ALA 14 HA ALA 14 1.621 2.811 -2.982 105 HB1 ALA 14 1HB ALA 14 1.019 4.841 -0.832 106 HB2 ALA 14 2HB ALA 14 0.353 4.833 -2.464 107 HB3 ALA 14 3HB ALA 14 2.079 5.087 -2.220 108 H ILE 15 HN ILE 15 3.586 2.025 -2.759 109 HA ILE 15 HA ILE 15 4.721 1.760 -0.075 110 HB ILE 15 HB ILE 15 5.552 0.555 -2.720 111 HG12 ILE 15 2HG1 ILE 15 4.220 -0.473 -0.230 112 HG13 ILE 15 3HG1 ILE 15 3.727 -0.671 -1.908 113 HG21 ILE 15 1HG2 ILE 15 6.869 0.186 -0.038 114 HG22 ILE 15 2HG2 ILE 15 7.522 1.148 -1.361 115 HG23 ILE 15 3HG2 ILE 15 7.328 -0.595 -1.548 116 HD11 ILE 15 3HD1 ILE 15 4.542 -2.750 -0.921 117 HD12 ILE 15 1HD1 ILE 15 6.108 -1.982 -0.613 118 HD13 ILE 15 2HD1 ILE 15 5.542 -2.232 -2.282 119 H ILE 16 HN ILE 16 5.592 3.683 0.486 120 HA ILE 16 HA ILE 16 6.897 5.359 -1.482 121 HB ILE 16 HB ILE 16 7.068 5.919 1.449 122 HG12 ILE 16 2HG1 ILE 16 4.678 5.147 0.916 123 HG13 ILE 16 3HG1 ILE 16 4.865 6.713 1.685 124 HG21 ILE 16 1HG2 ILE 16 6.706 8.242 0.662 125 HG22 ILE 16 2HG2 ILE 16 6.605 7.631 -0.989 126 HG23 ILE 16 3HG2 ILE 16 8.107 7.464 -0.078 127 HD11 ILE 16 3HD1 ILE 16 4.330 6.222 -1.233 128 HD12 ILE 16 1HD1 ILE 16 4.563 7.802 -0.480 129 HD13 ILE 16 2HD1 ILE 16 3.183 6.805 -0.024 130 H GLU 17 HN GLU 17 8.868 4.569 -2.078 131 HA GLU 17 HA GLU 17 10.624 3.592 0.070 132 HB2 GLU 17 2HB GLU 17 10.040 1.812 -1.497 133 HB3 GLU 17 3HB GLU 17 10.559 2.799 -2.851 134 HG2 GLU 17 2HG GLU 17 12.459 1.991 -0.673 135 HG3 GLU 17 3HG GLU 17 12.115 0.943 -2.046 136 H ARG 18 HN ARG 18 12.222 4.880 0.526 137 HA ARG 18 HA ARG 18 13.694 6.141 -1.637 138 HB2 ARG 18 2HB ARG 18 11.851 7.714 -0.544 139 HB3 ARG 18 3HB ARG 18 13.081 7.900 0.699 140 HG2 ARG 18 2HG ARG 18 13.508 9.674 -0.718 141 HG3 ARG 18 3HG ARG 18 14.658 8.456 -1.267 142 HD2 ARG 18 2HD ARG 18 12.006 9.141 -2.529 143 HD3 ARG 18 3HD ARG 18 13.602 9.498 -3.180 144 HE ARG 18 HE ARG 18 12.894 6.692 -2.744 145 HH11 ARG 18 1HH1 ARG 18 13.303 9.333 -5.007 146 HH12 ARG 18 2HH1 ARG 18 13.452 8.290 -6.383 147 HH21 ARG 18 1HH2 ARG 18 13.063 5.323 -4.558 148 HH22 ARG 18 2HH2 ARG 18 13.307 6.014 -6.136 149 H ASP 19 HN ASP 19 15.824 6.250 -1.230 150 HA ASP 19 HA ASP 19 17.832 5.838 -0.268 151 HB2 ASP 19 2HB ASP 19 16.374 6.331 2.348 152 HB3 ASP 19 3HB ASP 19 18.121 6.198 2.160 153 H GLY 20 HN GLY 20 15.665 3.683 -0.564 154 HA2 GLY 20 2HA GLY 20 15.926 1.380 -0.436 155 HA3 GLY 20 3HA GLY 20 17.246 1.609 0.704 156 H LYS 21 HN LYS 21 14.582 3.464 1.550 157 HA LYS 21 HA LYS 21 13.690 1.417 3.469 158 HB2 LYS 21 2HB LYS 21 13.728 4.388 3.955 159 HB3 LYS 21 3HB LYS 21 13.475 3.113 5.130 160 HG2 LYS 21 2HG LYS 21 16.032 3.044 3.665 161 HG3 LYS 21 3HG LYS 21 15.809 4.371 4.802 162 HD2 LYS 21 2HD LYS 21 15.412 2.872 6.589 163 HD3 LYS 21 3HD LYS 21 15.330 1.485 5.504 164 HE2 LYS 21 2HE LYS 21 17.453 1.429 6.590 165 HE3 LYS 21 3HE LYS 21 17.732 1.934 4.923 166 HZ1 LYS 21 3HZ LYS 21 18.990 3.249 6.536 167 HZ2 LYS 21 1HZ LYS 21 17.542 3.769 7.252 168 HZ3 LYS 21 2HZ LYS 21 17.910 4.206 5.652 169 H ILE 22 HN ILE 22 11.515 1.332 3.950 170 HA ILE 22 HA ILE 22 9.760 2.631 1.980 171 HB ILE 22 HB ILE 22 9.145 0.205 3.678 172 HG12 ILE 22 2HG1 ILE 22 10.175 0.317 0.833 173 HG13 ILE 22 3HG1 ILE 22 11.080 -0.246 2.234 174 HG21 ILE 22 1HG2 ILE 22 7.139 1.184 2.891 175 HG22 ILE 22 2HG2 ILE 22 7.462 -0.185 1.820 176 HG23 ILE 22 3HG2 ILE 22 7.818 1.460 1.289 177 HD11 ILE 22 3HD1 ILE 22 8.603 -1.510 1.088 178 HD12 ILE 22 1HD1 ILE 22 9.461 -2.058 2.532 179 HD13 ILE 22 2HD1 ILE 22 10.257 -2.114 0.958 180 H LEU 23 HN LEU 23 7.808 3.573 2.666 181 HA LEU 23 HA LEU 23 7.839 4.602 5.378 182 HB2 LEU 23 2HB LEU 23 7.421 6.103 3.481 183 HB3 LEU 23 3HB LEU 23 5.995 5.176 3.059 184 HG LEU 23 HG LEU 23 4.974 5.832 5.235 185 HD11 LEU 23 1HD1 LEU 23 5.980 7.673 6.489 186 HD12 LEU 23 2HD1 LEU 23 7.400 7.607 5.444 187 HD13 LEU 23 3HD1 LEU 23 7.010 6.243 6.491 188 HD21 LEU 23 3HD2 LEU 23 4.526 7.050 3.128 189 HD22 LEU 23 1HD2 LEU 23 5.851 8.150 3.514 190 HD23 LEU 23 2HD2 LEU 23 4.429 8.090 4.553 191 H LEU 24 HN LEU 24 6.866 3.600 6.940 192 HA LEU 24 HA LEU 24 4.408 2.050 6.381 193 HB2 LEU 24 2HB LEU 24 6.416 1.688 8.608 194 HB3 LEU 24 3HB LEU 24 4.864 0.888 8.562 195 HG LEU 24 HG LEU 24 5.570 -0.190 6.402 196 HD11 LEU 24 1HD1 LEU 24 7.316 1.320 5.723 197 HD12 LEU 24 2HD1 LEU 24 7.979 -0.299 5.936 198 HD13 LEU 24 3HD1 LEU 24 8.253 0.936 7.165 199 HD21 LEU 24 3HD2 LEU 24 6.973 -1.864 7.503 200 HD22 LEU 24 1HD2 LEU 24 5.612 -1.383 8.515 201 HD23 LEU 24 2HD2 LEU 24 7.226 -0.758 8.853 202 H ALA 25 HN ALA 25 2.581 2.476 7.530 203 HA ALA 25 HA ALA 25 2.746 4.760 9.389 204 HB1 ALA 25 1HB ALA 25 0.458 4.142 7.525 205 HB2 ALA 25 2HB ALA 25 1.729 5.321 7.202 206 HB3 ALA 25 3HB ALA 25 0.636 5.560 8.566 207 H GLN 26 HN GLN 26 2.194 4.285 11.377 208 HA GLN 26 HA GLN 26 1.128 1.765 12.105 209 HB2 GLN 26 2HB GLN 26 2.685 3.151 13.495 210 HB3 GLN 26 3HB GLN 26 1.334 4.222 13.848 211 HG2 GLN 26 2HG GLN 26 0.126 2.247 14.792 212 HG3 GLN 26 3HG GLN 26 1.615 1.324 14.599 213 HE21 GLN 26 1HE2 GLN 26 0.010 3.835 16.355 214 HE22 GLN 26 2HE2 GLN 26 1.158 3.956 17.646 215 H ARG 27 HN ARG 27 -0.857 1.169 11.814 216 HA ARG 27 HA ARG 27 -3.032 2.143 13.229 217 HB2 ARG 27 2HB ARG 27 -3.048 4.058 11.683 218 HB3 ARG 27 3HB ARG 27 -3.080 2.963 10.308 219 HG2 ARG 27 2HG ARG 27 -5.278 3.830 10.644 220 HG3 ARG 27 3HG ARG 27 -5.279 2.123 11.087 221 HD2 ARG 27 2HD ARG 27 -6.142 2.688 13.052 222 HD3 ARG 27 3HD ARG 27 -4.633 3.520 13.427 223 HE ARG 27 HE ARG 27 -6.650 4.999 11.902 224 HH11 ARG 27 1HH1 ARG 27 -5.057 4.427 14.977 225 HH12 ARG 27 2HH1 ARG 27 -5.584 5.935 15.672 226 HH21 ARG 27 1HH2 ARG 27 -7.352 6.966 12.818 227 HH22 ARG 27 2HH2 ARG 27 -6.885 7.374 14.446 228 HA PRO 28 HA PRO 28 -3.623 -2.065 11.767 229 HB2 PRO 28 2HB PRO 28 -5.490 -2.776 13.575 230 HB3 PRO 28 3HB PRO 28 -3.786 -2.636 13.987 231 HG2 PRO 28 2HG PRO 28 -6.013 -0.728 14.470 232 HG3 PRO 28 3HG PRO 28 -4.696 -1.199 15.557 233 HD2 PRO 28 2HD PRO 28 -4.683 1.122 14.119 234 HD3 PRO 28 3HD PRO 28 -3.206 0.259 14.593 235 H ALA 29 HN ALA 29 -6.162 0.207 12.433 236 HA ALA 29 HA ALA 29 -8.049 0.836 11.360 237 HB1 ALA 29 1HB ALA 29 -7.055 -0.861 9.075 238 HB2 ALA 29 2HB ALA 29 -6.635 0.830 9.350 239 HB3 ALA 29 3HB ALA 29 -8.304 0.381 8.994 240 H GLN 30 HN GLN 30 -7.738 -2.432 10.025 241 HA GLN 30 HA GLN 30 -10.503 -2.951 10.858 242 HB2 GLN 30 2HB GLN 30 -8.740 -4.484 8.932 243 HB3 GLN 30 3HB GLN 30 -10.448 -4.780 9.229 244 HG2 GLN 30 2HG GLN 30 -10.986 -2.566 8.361 245 HG3 GLN 30 3HG GLN 30 -9.278 -2.264 8.063 246 HE21 GLN 30 1HE2 GLN 30 -11.526 -2.276 6.242 247 HE22 GLN 30 2HE2 GLN 30 -11.166 -3.451 5.021 248 H SER 31 HN SER 31 -7.700 -3.250 12.257 249 HA SER 31 HA SER 31 -8.216 -5.926 13.359 250 HB2 SER 31 2HB SER 31 -5.649 -4.385 13.048 251 HB3 SER 31 3HB SER 31 -5.780 -5.819 14.054 252 HG SER 31 HG SER 31 -6.619 -6.866 12.072 253 H ASP 32 HN ASP 32 -7.786 -2.563 14.106 254 HA ASP 32 HA ASP 32 -8.051 -1.327 15.980 255 HB2 ASP 32 2HB ASP 32 -9.590 -3.775 16.810 256 HB3 ASP 32 3HB ASP 32 -9.478 -2.340 17.824 257 H GLN 33 HN GLN 33 -5.873 -3.563 15.810 258 HA GLN 33 HA GLN 33 -5.101 -3.502 18.633 259 HB2 GLN 33 2HB GLN 33 -3.834 -5.042 16.356 260 HB3 GLN 33 3HB GLN 33 -3.480 -5.222 18.071 261 HG2 GLN 33 2HG GLN 33 -5.880 -5.897 18.385 262 HG3 GLN 33 3HG GLN 33 -6.015 -5.939 16.630 263 HE21 GLN 33 1HE2 GLN 33 -6.489 -8.147 16.674 264 HE22 GLN 33 2HE2 GLN 33 -5.263 -9.330 16.959 265 H ALA 34 HN ALA 34 -4.165 -1.596 19.047 266 HA ALA 34 HA ALA 34 -2.819 0.005 17.183 267 HB1 ALA 34 1HB ALA 34 -3.808 0.892 19.229 268 HB2 ALA 34 2HB ALA 34 -2.106 1.340 19.098 269 HB3 ALA 34 3HB ALA 34 -2.597 0.044 20.188 270 H GLY 35 HN GLY 35 -0.723 0.261 16.640 271 HA2 GLY 35 2HA GLY 35 1.627 0.007 17.237 272 HA3 GLY 35 3HA GLY 35 1.223 -1.568 17.889 273 H LEU 36 HN LEU 36 -0.611 -1.987 15.501 274 HA LEU 36 HA LEU 36 1.316 -3.191 13.809 275 HB2 LEU 36 2HB LEU 36 -1.664 -2.880 13.754 276 HB3 LEU 36 3HB LEU 36 -0.818 -3.548 12.376 277 HG LEU 36 HG LEU 36 -0.138 -5.470 13.582 278 HD11 LEU 36 1HD1 LEU 36 0.539 -4.380 15.676 279 HD12 LEU 36 2HD1 LEU 36 -0.483 -5.787 15.967 280 HD13 LEU 36 3HD1 LEU 36 -1.158 -4.164 16.104 281 HD21 LEU 36 3HD2 LEU 36 -2.259 -6.371 14.398 282 HD22 LEU 36 1HD2 LEU 36 -2.459 -5.482 12.887 283 HD23 LEU 36 2HD2 LEU 36 -2.933 -4.739 14.414 284 H TRP 37 HN TRP 37 1.752 -2.768 11.647 285 HA TRP 37 HA TRP 37 1.310 0.036 10.837 286 HB2 TRP 37 2HB TRP 37 3.656 -1.742 10.130 287 HB3 TRP 37 3HB TRP 37 3.472 -0.038 9.728 288 HD1 TRP 37 1HD TRP 37 4.068 -2.323 12.777 289 HE1 TRP 37 1HE TRP 37 5.242 -0.946 14.606 290 HE3 TRP 37 3HE TRP 37 3.941 2.275 10.539 291 HZ2 TRP 37 2HZ TRP 37 6.015 1.727 15.038 292 HZ3 TRP 37 3HZ TRP 37 4.925 4.189 11.730 293 HH2 TRP 37 2HH TRP 37 5.940 3.918 13.933 294 H GLU 38 HN GLU 38 0.887 0.430 8.640 295 HA GLU 38 HA GLU 38 0.654 -1.860 6.852 296 HB2 GLU 38 2HB GLU 38 -1.583 -1.066 6.064 297 HB3 GLU 38 3HB GLU 38 -1.592 -1.700 7.704 298 HG2 GLU 38 2HG GLU 38 -1.672 0.513 8.622 299 HG3 GLU 38 3HG GLU 38 -1.456 1.229 7.025 300 H PHE 39 HN PHE 39 0.316 -1.137 4.568 301 HA PHE 39 HA PHE 39 2.002 1.144 4.021 302 HB2 PHE 39 2HB PHE 39 0.530 -0.764 2.192 303 HB3 PHE 39 3HB PHE 39 1.553 0.546 1.615 304 HD1 PHE 39 2HD PHE 39 3.971 0.493 2.061 305 HD2 PHE 39 1HD PHE 39 1.420 -2.774 2.970 306 HE1 PHE 39 2HE PHE 39 5.915 -0.981 2.193 307 HE2 PHE 39 1HE PHE 39 3.356 -4.258 3.100 308 HZ PHE 39 HZ PHE 39 5.624 -3.374 2.712 309 H ALA 40 HN ALA 40 1.388 3.025 2.914 310 HA ALA 40 HA ALA 40 -1.179 4.012 3.689 311 HB1 ALA 40 1HB ALA 40 -0.463 6.094 2.604 312 HB2 ALA 40 2HB ALA 40 0.954 5.261 1.960 313 HB3 ALA 40 3HB ALA 40 0.768 5.464 3.702 314 H GLY 41 HN GLY 41 -2.699 5.046 2.143 315 HA2 GLY 41 2HA GLY 41 -2.834 5.011 -0.509 316 HA3 GLY 41 3HA GLY 41 -3.121 3.314 -0.143 317 H GLY 42 HN GLY 42 -5.216 3.115 -0.655 318 HA2 GLY 42 2HA GLY 42 -7.208 3.859 1.123 319 HA3 GLY 42 3HA GLY 42 -7.168 5.124 -0.093 320 H LYS 43 HN LYS 43 -9.439 3.905 0.143 321 HA LYS 43 HA LYS 43 -9.668 1.604 -1.585 322 HB2 LYS 43 2HB LYS 43 -11.151 1.980 0.389 323 HB3 LYS 43 3HB LYS 43 -11.849 3.363 -0.440 324 HG2 LYS 43 2HG LYS 43 -12.570 1.819 -2.254 325 HG3 LYS 43 3HG LYS 43 -12.002 0.474 -1.264 326 HD2 LYS 43 2HD LYS 43 -14.224 0.531 -0.682 327 HD3 LYS 43 3HD LYS 43 -13.532 1.573 0.560 328 HE2 LYS 43 2HE LYS 43 -14.811 2.509 -2.004 329 HE3 LYS 43 3HE LYS 43 -15.582 2.508 -0.422 330 HZ1 LYS 43 3HZ LYS 43 -14.131 4.173 0.351 331 HZ2 LYS 43 1HZ LYS 43 -14.619 4.681 -1.194 332 HZ3 LYS 43 2HZ LYS 43 -13.084 4.003 -0.969 333 H VAL 44 HN VAL 44 -10.775 1.577 -3.596 334 HA VAL 44 HA VAL 44 -10.471 4.105 -5.059 335 HB VAL 44 HB VAL 44 -10.758 1.300 -6.157 336 HG11 VAL 44 1HG1 VAL 44 -9.951 3.868 -7.518 337 HG12 VAL 44 2HG1 VAL 44 -11.492 3.033 -7.713 338 HG13 VAL 44 3HG1 VAL 44 -10.001 2.270 -8.264 339 HG21 VAL 44 3HG2 VAL 44 -8.692 1.510 -4.904 340 HG22 VAL 44 1HG2 VAL 44 -8.286 2.983 -5.787 341 HG23 VAL 44 2HG2 VAL 44 -8.357 1.438 -6.634 342 H GLU 45 HN GLU 45 -12.277 5.232 -5.414 343 HA GLU 45 HA GLU 45 -14.891 4.048 -5.355 344 HB2 GLU 45 2HB GLU 45 -13.933 6.758 -6.312 345 HB3 GLU 45 3HB GLU 45 -15.624 6.284 -6.234 346 HG2 GLU 45 2HG GLU 45 -13.757 6.403 -3.876 347 HG3 GLU 45 3HG GLU 45 -14.905 7.663 -4.325 348 HA PRO 46 HA PRO 46 -15.012 2.403 -9.409 349 HB2 PRO 46 2HB PRO 46 -17.648 2.691 -10.041 350 HB3 PRO 46 3HB PRO 46 -17.045 1.483 -8.901 351 HG2 PRO 46 2HG PRO 46 -18.252 4.168 -8.351 352 HG3 PRO 46 3HG PRO 46 -18.567 2.618 -7.549 353 HD2 PRO 46 2HD PRO 46 -16.958 4.473 -6.457 354 HD3 PRO 46 3HD PRO 46 -16.626 2.736 -6.288 355 H ASP 47 HN ASP 47 -15.378 5.666 -8.908 356 HA ASP 47 HA ASP 47 -15.747 6.213 -11.772 357 HB2 ASP 47 2HB ASP 47 -17.417 7.204 -10.210 358 HB3 ASP 47 3HB ASP 47 -16.118 8.126 -9.462 359 H GLU 48 HN GLU 48 -13.371 5.871 -9.583 360 HA GLU 48 HA GLU 48 -11.697 7.884 -10.935 361 HB2 GLU 48 2HB GLU 48 -10.362 8.167 -8.951 362 HB3 GLU 48 3HB GLU 48 -12.049 8.433 -8.543 363 HG2 GLU 48 2HG GLU 48 -12.118 6.095 -7.666 364 HG3 GLU 48 3HG GLU 48 -10.373 6.020 -7.914 365 H SER 49 HN SER 49 -9.375 7.312 -11.037 366 HA SER 49 HA SER 49 -9.158 4.529 -11.887 367 HB2 SER 49 2HB SER 49 -8.520 6.380 -13.439 368 HB3 SER 49 3HB SER 49 -7.228 6.821 -12.328 369 HG SER 49 HG SER 49 -7.340 4.815 -14.188 370 H GLN 50 HN GLN 50 -6.979 3.444 -11.480 371 HA GLN 50 HA GLN 50 -6.634 3.156 -8.703 372 HB2 GLN 50 2HB GLN 50 -4.882 2.246 -10.988 373 HB3 GLN 50 3HB GLN 50 -4.639 1.769 -9.313 374 HG2 GLN 50 2HG GLN 50 -6.879 0.750 -9.306 375 HG3 GLN 50 3HG GLN 50 -7.056 1.182 -11.006 376 HE21 GLN 50 1HE2 GLN 50 -7.272 -0.952 -11.636 377 HE22 GLN 50 2HE2 GLN 50 -5.943 -2.052 -11.664 378 H ARG 51 HN ARG 51 -4.408 4.560 -11.127 379 HA ARG 51 HA ARG 51 -2.494 5.526 -9.318 380 HB2 ARG 51 2HB ARG 51 -3.310 6.883 -11.890 381 HB3 ARG 51 3HB ARG 51 -1.774 7.040 -11.056 382 HG2 ARG 51 2HG ARG 51 -1.314 4.662 -11.509 383 HG3 ARG 51 3HG ARG 51 -2.818 4.577 -12.433 384 HD2 ARG 51 2HD ARG 51 -1.974 6.368 -13.905 385 HD3 ARG 51 3HD ARG 51 -0.457 6.362 -13.012 386 HE ARG 51 HE ARG 51 -1.116 3.775 -14.028 387 HH11 ARG 51 1HH1 ARG 51 0.289 6.872 -14.839 388 HH12 ARG 51 2HH1 ARG 51 1.175 6.273 -16.206 389 HH21 ARG 51 1HH2 ARG 51 0.061 2.960 -15.840 390 HH22 ARG 51 2HH2 ARG 51 1.040 4.053 -16.769 391 H GLN 52 HN GLN 52 -5.527 6.830 -10.422 392 HA GLN 52 HA GLN 52 -5.138 9.488 -9.509 393 HB2 GLN 52 2HB GLN 52 -6.675 8.988 -11.307 394 HB3 GLN 52 3HB GLN 52 -7.609 7.927 -10.263 395 HG2 GLN 52 2HG GLN 52 -8.426 9.745 -9.000 396 HG3 GLN 52 3HG GLN 52 -7.292 10.867 -9.756 397 HE21 GLN 52 1HE2 GLN 52 -7.646 11.529 -11.873 398 HE22 GLN 52 2HE2 GLN 52 -9.190 11.364 -12.643 399 H ALA 53 HN ALA 53 -6.792 6.645 -8.223 400 HA ALA 53 HA ALA 53 -7.819 7.841 -5.896 401 HB1 ALA 53 1HB ALA 53 -8.071 5.582 -5.044 402 HB2 ALA 53 2HB ALA 53 -6.994 4.967 -6.297 403 HB3 ALA 53 3HB ALA 53 -8.558 5.651 -6.739 404 H LEU 54 HN LEU 54 -4.729 6.197 -6.548 405 HA LEU 54 HA LEU 54 -3.740 6.244 -3.924 406 HB2 LEU 54 2HB LEU 54 -2.389 6.221 -6.615 407 HB3 LEU 54 3HB LEU 54 -1.478 6.200 -5.115 408 HG LEU 54 HG LEU 54 -3.573 4.122 -5.642 409 HD11 LEU 54 1HD1 LEU 54 -2.102 4.081 -7.577 410 HD12 LEU 54 2HD1 LEU 54 -1.852 2.670 -6.548 411 HD13 LEU 54 3HD1 LEU 54 -0.698 4.004 -6.512 412 HD21 LEU 54 3HD2 LEU 54 -2.688 4.371 -3.379 413 HD22 LEU 54 1HD2 LEU 54 -1.049 4.167 -3.999 414 HD23 LEU 54 2HD2 LEU 54 -2.201 2.836 -4.097 415 H VAL 55 HN VAL 55 -3.376 8.526 -6.593 416 HA VAL 55 HA VAL 55 -1.593 10.272 -5.303 417 HB VAL 55 HB VAL 55 -3.534 10.760 -7.565 418 HG11 VAL 55 1HG1 VAL 55 -3.082 12.884 -6.443 419 HG12 VAL 55 2HG1 VAL 55 -2.284 12.827 -8.014 420 HG13 VAL 55 3HG1 VAL 55 -1.347 12.579 -6.541 421 HG21 VAL 55 3HG2 VAL 55 -1.753 9.182 -8.051 422 HG22 VAL 55 1HG2 VAL 55 -0.547 10.344 -7.498 423 HG23 VAL 55 2HG2 VAL 55 -1.505 10.686 -8.938 424 H ARG 56 HN ARG 56 -5.147 10.314 -5.500 425 HA ARG 56 HA ARG 56 -5.281 12.775 -4.045 426 HB2 ARG 56 2HB ARG 56 -7.684 12.530 -4.110 427 HB3 ARG 56 3HB ARG 56 -6.998 12.193 -5.687 428 HG2 ARG 56 2HG ARG 56 -8.447 10.479 -5.618 429 HG3 ARG 56 3HG ARG 56 -7.140 9.695 -4.729 430 HD2 ARG 56 2HD ARG 56 -8.156 10.201 -2.637 431 HD3 ARG 56 3HD ARG 56 -9.343 11.258 -3.400 432 HE ARG 56 HE ARG 56 -9.696 8.755 -4.530 433 HH11 ARG 56 1HH1 ARG 56 -9.881 10.210 -1.347 434 HH12 ARG 56 2HH1 ARG 56 -11.083 9.092 -0.770 435 HH21 ARG 56 1HH2 ARG 56 -11.283 7.286 -3.784 436 HH22 ARG 56 2HH2 ARG 56 -11.863 7.422 -2.142 437 H GLU 57 HN GLU 57 -5.786 9.356 -3.196 438 HA GLU 57 HA GLU 57 -6.539 9.776 -0.528 439 HB2 GLU 57 2HB GLU 57 -5.190 7.455 -1.889 440 HB3 GLU 57 3HB GLU 57 -5.553 7.432 -0.169 441 HG2 GLU 57 2HG GLU 57 -7.647 7.941 -2.263 442 HG3 GLU 57 3HG GLU 57 -7.234 6.325 -1.698 443 H LEU 58 HN LEU 58 -3.291 9.447 -1.954 444 HA LEU 58 HA LEU 58 -1.962 9.551 0.561 445 HB2 LEU 58 2HB LEU 58 -0.836 10.358 -2.107 446 HB3 LEU 58 3HB LEU 58 0.076 9.978 -0.666 447 HG LEU 58 HG LEU 58 -1.528 8.060 -2.343 448 HD11 LEU 58 1HD1 LEU 58 1.418 8.243 -1.763 449 HD12 LEU 58 2HD1 LEU 58 0.630 8.695 -3.274 450 HD13 LEU 58 3HD1 LEU 58 0.629 7.012 -2.748 451 HD21 LEU 58 3HD2 LEU 58 -0.033 7.547 0.218 452 HD22 LEU 58 1HD2 LEU 58 -0.758 6.319 -0.820 453 HD23 LEU 58 2HD2 LEU 58 -1.783 7.493 0.003 454 H ARG 59 HN ARG 59 -3.030 12.032 -1.722 455 HA ARG 59 HA ARG 59 -1.810 14.192 -0.424 456 HB2 ARG 59 2HB ARG 59 -2.854 14.452 -2.611 457 HB3 ARG 59 3HB ARG 59 -4.440 14.139 -1.909 458 HG2 ARG 59 2HG ARG 59 -4.360 16.154 -0.648 459 HG3 ARG 59 3HG ARG 59 -2.676 16.429 -1.085 460 HD2 ARG 59 2HD ARG 59 -3.482 16.510 -3.498 461 HD3 ARG 59 3HD ARG 59 -5.114 16.611 -2.833 462 HE ARG 59 HE ARG 59 -4.443 18.681 -1.734 463 HH11 ARG 59 1HH1 ARG 59 -2.457 17.489 -4.346 464 HH12 ARG 59 2HH1 ARG 59 -1.681 19.010 -4.653 465 HH21 ARG 59 1HH2 ARG 59 -3.427 20.712 -2.110 466 HH22 ARG 59 2HH2 ARG 59 -2.228 20.850 -3.364 467 H GLU 60 HN GLU 60 -4.731 12.421 0.291 468 HA GLU 60 HA GLU 60 -5.607 14.326 2.258 469 HB2 GLU 60 2HB GLU 60 -6.622 11.525 1.731 470 HB3 GLU 60 3HB GLU 60 -7.444 12.776 2.655 471 HG2 GLU 60 2HG GLU 60 -7.529 14.152 0.586 472 HG3 GLU 60 3HG GLU 60 -6.860 12.786 -0.295 473 H GLU 61 HN GLU 61 -4.070 11.145 2.263 474 HA GLU 61 HA GLU 61 -4.060 11.126 5.172 475 HB2 GLU 61 2HB GLU 61 -3.145 9.073 3.158 476 HB3 GLU 61 3HB GLU 61 -2.946 8.891 4.902 477 HG2 GLU 61 2HG GLU 61 -5.603 9.324 3.599 478 HG3 GLU 61 3HG GLU 61 -4.916 7.734 3.960 479 H LEU 62 HN LEU 62 -1.674 11.225 2.526 480 HA LEU 62 HA LEU 62 0.430 11.471 4.566 481 HB2 LEU 62 2HB LEU 62 0.717 10.900 1.621 482 HB3 LEU 62 3HB LEU 62 1.994 10.861 2.818 483 HG LEU 62 HG LEU 62 -0.334 8.948 2.610 484 HD11 LEU 62 1HD1 LEU 62 1.456 7.318 2.173 485 HD12 LEU 62 2HD1 LEU 62 2.640 8.625 2.201 486 HD13 LEU 62 3HD1 LEU 62 1.397 8.586 0.950 487 HD21 LEU 62 3HD2 LEU 62 0.715 7.755 4.468 488 HD22 LEU 62 1HD2 LEU 62 0.217 9.375 4.954 489 HD23 LEU 62 2HD2 LEU 62 1.916 9.037 4.623 490 H GLY 63 HN GLY 63 -1.448 13.573 2.972 491 HA2 GLY 63 2HA GLY 63 -1.216 15.572 1.882 492 HA3 GLY 63 3HA GLY 63 0.004 15.826 3.111 493 H ILE 64 HN ILE 64 0.337 13.487 0.441 494 HA ILE 64 HA ILE 64 2.322 15.334 -0.711 495 HB ILE 64 HB ILE 64 3.682 13.404 -1.438 496 HG12 ILE 64 2HG1 ILE 64 1.911 11.797 0.421 497 HG13 ILE 64 3HG1 ILE 64 1.955 11.652 -1.333 498 HG21 ILE 64 1HG2 ILE 64 4.698 12.966 0.746 499 HG22 ILE 64 2HG2 ILE 64 3.286 13.677 1.530 500 HG23 ILE 64 3HG2 ILE 64 4.319 14.671 0.502 501 HD11 ILE 64 3HD1 ILE 64 4.268 10.896 -1.228 502 HD12 ILE 64 1HD1 ILE 64 3.226 9.869 -0.244 503 HD13 ILE 64 2HD1 ILE 64 4.259 11.073 0.526 504 H GLU 65 HN GLU 65 2.555 15.431 -2.882 505 HA GLU 65 HA GLU 65 0.344 14.364 -4.471 506 HB2 GLU 65 2HB GLU 65 2.522 16.329 -5.211 507 HB3 GLU 65 3HB GLU 65 1.141 15.920 -6.207 508 HG2 GLU 65 2HG GLU 65 -0.334 16.819 -4.427 509 HG3 GLU 65 3HG GLU 65 1.108 17.345 -3.562 510 H ALA 66 HN ALA 66 0.788 12.287 -4.983 511 HA ALA 66 HA ALA 66 3.518 11.461 -5.497 512 HB1 ALA 66 1HB ALA 66 2.039 10.102 -4.078 513 HB2 ALA 66 2HB ALA 66 2.650 9.206 -5.470 514 HB3 ALA 66 3HB ALA 66 0.994 9.815 -5.469 515 H THR 67 HN THR 67 4.255 10.481 -7.369 516 HA THR 67 HA THR 67 2.573 10.850 -9.759 517 HB THR 67 HB THR 67 5.591 10.643 -9.674 518 HG1 THR 67 1HG THR 67 5.600 12.713 -9.210 519 HG21 THR 67 3HG2 THR 67 3.670 11.476 -11.852 520 HG22 THR 67 1HG2 THR 67 4.607 9.984 -11.799 521 HG23 THR 67 2HG2 THR 67 5.429 11.536 -11.968 522 H VAL 68 HN VAL 68 1.657 8.946 -10.256 523 HA VAL 68 HA VAL 68 2.919 6.473 -9.398 524 HB VAL 68 HB VAL 68 0.285 6.824 -10.837 525 HG11 VAL 68 1HG1 VAL 68 -0.261 4.648 -9.859 526 HG12 VAL 68 2HG1 VAL 68 1.355 4.561 -9.159 527 HG13 VAL 68 3HG1 VAL 68 1.151 4.553 -10.911 528 HG21 VAL 68 3HG2 VAL 68 0.809 6.705 -7.872 529 HG22 VAL 68 1HG2 VAL 68 -0.778 6.729 -8.643 530 HG23 VAL 68 2HG2 VAL 68 0.290 8.128 -8.775 531 H GLY 69 HN GLY 69 3.957 5.058 -10.711 532 HA2 GLY 69 2HA GLY 69 3.407 4.715 -13.449 533 HA3 GLY 69 3HA GLY 69 4.778 5.792 -13.278 534 H GLU 70 HN GLU 70 3.608 2.636 -12.048 535 HA GLU 70 HA GLU 70 5.262 0.810 -12.664 536 HB2 GLU 70 2HB GLU 70 7.249 0.699 -11.263 537 HB3 GLU 70 3HB GLU 70 7.285 2.140 -12.263 538 HG2 GLU 70 2HG GLU 70 6.841 3.545 -10.430 539 HG3 GLU 70 3HG GLU 70 6.364 2.186 -9.409 540 H TYR 71 HN TYR 71 4.006 -0.758 -11.863 541 HA TYR 71 HA TYR 71 3.071 -0.550 -9.104 542 HB2 TYR 71 2HB TYR 71 2.283 -2.476 -11.291 543 HB3 TYR 71 3HB TYR 71 1.489 -2.271 -9.744 544 HD1 TYR 71 1HD TYR 71 0.713 0.267 -9.278 545 HD2 TYR 71 2HD TYR 71 1.320 -1.476 -13.109 546 HE1 TYR 71 1HE TYR 71 -0.774 1.956 -10.276 547 HE2 TYR 71 2HE TYR 71 -0.161 0.201 -14.116 548 HH TYR 71 HH TYR 71 -2.040 1.678 -13.385 549 H VAL 72 HN VAL 72 3.354 -2.254 -7.600 550 HA VAL 72 HA VAL 72 5.734 -3.880 -8.118 551 HB VAL 72 HB VAL 72 4.232 -3.384 -5.540 552 HG11 VAL 72 1HG1 VAL 72 6.189 -4.387 -4.435 553 HG12 VAL 72 2HG1 VAL 72 6.854 -4.803 -6.016 554 HG13 VAL 72 3HG1 VAL 72 5.348 -5.544 -5.470 555 HG21 VAL 72 3HG2 VAL 72 5.341 -1.393 -6.416 556 HG22 VAL 72 1HG2 VAL 72 6.862 -2.282 -6.513 557 HG23 VAL 72 2HG2 VAL 72 6.118 -1.972 -4.943 558 H ALA 73 HN ALA 73 2.791 -4.524 -6.207 559 HA ALA 73 HA ALA 73 2.202 -6.884 -7.785 560 HB1 ALA 73 1HB ALA 73 2.396 -8.455 -5.930 561 HB2 ALA 73 2HB ALA 73 3.009 -7.166 -4.892 562 HB3 ALA 73 3HB ALA 73 3.953 -7.702 -6.282 563 H SER 74 HN SER 74 0.369 -8.158 -6.538 564 HA SER 74 HA SER 74 -1.421 -6.268 -5.193 565 HB2 SER 74 2HB SER 74 -2.341 -8.170 -7.360 566 HB3 SER 74 3HB SER 74 -3.286 -6.913 -6.564 567 HG SER 74 HG SER 74 -1.827 -6.715 -8.760 568 H HIS 75 HN HIS 75 -2.907 -7.252 -3.759 569 HA HIS 75 HA HIS 75 -2.796 -10.153 -3.473 570 HB2 HIS 75 2HB HIS 75 -1.028 -9.160 -1.962 571 HB3 HIS 75 3HB HIS 75 -2.336 -8.387 -1.070 572 HD1 HIS 75 1HD HIS 75 -3.546 -9.786 0.627 573 HD2 HIS 75 2HD HIS 75 -1.161 -12.062 -1.895 574 HE1 HIS 75 1HE HIS 75 -3.586 -12.108 1.580 575 HE2 HIS 75 2HE HIS 75 -1.978 -13.419 0.153 576 H GLN 76 HN GLN 76 -4.618 -11.020 -2.479 577 HA GLN 76 HA GLN 76 -6.772 -9.070 -1.978 578 HB2 GLN 76 2HB GLN 76 -6.867 -11.748 -3.341 579 HB3 GLN 76 3HB GLN 76 -8.313 -10.973 -2.701 580 HG2 GLN 76 2HG GLN 76 -7.993 -9.070 -4.108 581 HG3 GLN 76 3HG GLN 76 -6.449 -9.700 -4.684 582 HE21 GLN 76 1HE2 GLN 76 -6.424 -11.414 -6.141 583 HE22 GLN 76 2HE2 GLN 76 -7.837 -11.893 -7.025 584 H ARG 77 HN ARG 77 -8.116 -9.345 -0.314 585 HA ARG 77 HA ARG 77 -7.923 -11.690 1.406 586 HB2 ARG 77 2HB ARG 77 -7.411 -10.513 3.406 587 HB3 ARG 77 3HB ARG 77 -6.238 -9.938 2.232 588 HG2 ARG 77 2HG ARG 77 -7.693 -7.934 1.873 589 HG3 ARG 77 3HG ARG 77 -8.696 -8.500 3.213 590 HD2 ARG 77 2HD ARG 77 -6.575 -8.519 4.606 591 HD3 ARG 77 3HD ARG 77 -5.811 -7.651 3.284 592 HE ARG 77 HE ARG 77 -8.219 -6.513 4.509 593 HH11 ARG 77 1HH1 ARG 77 -4.768 -6.327 3.899 594 HH12 ARG 77 2HH1 ARG 77 -4.596 -4.736 4.567 595 HH21 ARG 77 1HH2 ARG 77 -7.991 -4.413 5.419 596 HH22 ARG 77 2HH2 ARG 77 -6.428 -3.647 5.419 597 H GLU 78 HN GLU 78 -9.856 -11.645 2.980 598 HA GLU 78 HA GLU 78 -11.972 -10.145 1.602 599 HB2 GLU 78 2HB GLU 78 -13.518 -11.820 2.035 600 HB3 GLU 78 3HB GLU 78 -12.052 -12.720 1.689 601 HG2 GLU 78 2HG GLU 78 -11.698 -13.165 4.006 602 HG3 GLU 78 3HG GLU 78 -13.013 -12.085 4.464 603 H VAL 79 HN VAL 79 -13.505 -9.022 2.688 604 HA VAL 79 HA VAL 79 -13.175 -8.793 5.593 605 HB VAL 79 HB VAL 79 -12.518 -6.681 4.720 606 HG11 VAL 79 1HG1 VAL 79 -13.412 -6.851 2.477 607 HG12 VAL 79 2HG1 VAL 79 -13.915 -5.337 3.225 608 HG13 VAL 79 3HG1 VAL 79 -15.055 -6.681 3.099 609 HG21 VAL 79 3HG2 VAL 79 -14.230 -5.169 5.625 610 HG22 VAL 79 1HG2 VAL 79 -13.907 -6.540 6.685 611 HG23 VAL 79 2HG2 VAL 79 -15.362 -6.520 5.688 612 H SER 80 HN SER 80 -14.662 -10.299 6.123 613 HA SER 80 HA SER 80 -16.622 -11.417 6.325 614 HB2 SER 80 2HB SER 80 -17.000 -9.226 7.550 615 HB3 SER 80 3HB SER 80 -17.895 -8.685 6.130 616 HG SER 80 HG SER 80 -19.025 -10.883 6.546 617 H GLY 81 HN GLY 81 -16.271 -12.313 4.094 618 HA2 GLY 81 2HA GLY 81 -17.392 -13.158 2.291 619 HA3 GLY 81 3HA GLY 81 -18.750 -12.121 2.684 620 H ARG 82 HN ARG 82 -16.386 -9.942 2.470 621 HA ARG 82 HA ARG 82 -16.768 -9.610 -0.435 622 HB2 ARG 82 2HB ARG 82 -16.148 -7.494 1.638 623 HB3 ARG 82 3HB ARG 82 -16.432 -7.214 -0.076 624 HG2 ARG 82 2HG ARG 82 -18.711 -8.106 0.200 625 HG3 ARG 82 3HG ARG 82 -18.415 -8.262 1.928 626 HD2 ARG 82 2HD ARG 82 -17.990 -5.831 2.038 627 HD3 ARG 82 3HD ARG 82 -18.389 -5.709 0.327 628 HE ARG 82 HE ARG 82 -20.631 -6.717 1.078 629 HH11 ARG 82 1HH1 ARG 82 -18.682 -4.534 3.012 630 HH12 ARG 82 2HH1 ARG 82 -20.035 -3.911 3.901 631 HH21 ARG 82 1HH2 ARG 82 -22.410 -5.888 2.243 632 HH22 ARG 82 2HH2 ARG 82 -22.154 -4.684 3.468 633 H ILE 83 HN ILE 83 -14.953 -9.151 -1.736 634 HA ILE 83 HA ILE 83 -12.450 -9.956 -0.425 635 HB ILE 83 HB ILE 83 -13.418 -10.220 -3.256 636 HG12 ILE 83 2HG1 ILE 83 -12.546 -12.535 -2.958 637 HG13 ILE 83 3HG1 ILE 83 -12.096 -12.126 -1.308 638 HG21 ILE 83 1HG2 ILE 83 -11.149 -10.873 -3.953 639 HG22 ILE 83 2HG2 ILE 83 -10.533 -10.352 -2.384 640 HG23 ILE 83 3HG2 ILE 83 -11.251 -9.175 -3.484 641 HD11 ILE 83 3HD1 ILE 83 -14.423 -11.783 -0.738 642 HD12 ILE 83 1HD1 ILE 83 -14.180 -13.389 -1.424 643 HD13 ILE 83 2HD1 ILE 83 -14.896 -12.111 -2.406 644 H ILE 84 HN ILE 84 -11.123 -8.374 0.081 645 HA ILE 84 HA ILE 84 -11.214 -5.856 -1.359 646 HB ILE 84 HB ILE 84 -9.019 -6.010 0.503 647 HG12 ILE 84 2HG1 ILE 84 -11.697 -6.972 1.458 648 HG13 ILE 84 3HG1 ILE 84 -10.089 -7.546 1.894 649 HG21 ILE 84 1HG2 ILE 84 -9.972 -4.024 1.363 650 HG22 ILE 84 2HG2 ILE 84 -11.556 -4.424 0.701 651 HG23 ILE 84 3HG2 ILE 84 -10.224 -3.999 -0.387 652 HD11 ILE 84 3HD1 ILE 84 -11.361 -4.946 2.739 653 HD12 ILE 84 1HD1 ILE 84 -9.713 -5.460 3.143 654 HD13 ILE 84 2HD1 ILE 84 -11.089 -6.377 3.751 655 H HIS 85 HN HIS 85 -9.814 -5.222 -2.823 656 HA HIS 85 HA HIS 85 -7.712 -7.128 -3.613 657 HB2 HIS 85 2HB HIS 85 -9.607 -6.781 -5.219 658 HB3 HIS 85 3HB HIS 85 -9.166 -5.084 -5.319 659 HD1 HIS 85 1HD HIS 85 -8.442 -8.359 -6.763 660 HD2 HIS 85 2HD HIS 85 -6.601 -4.639 -6.603 661 HE1 HIS 85 1HE HIS 85 -6.691 -8.398 -8.561 662 HE2 HIS 85 2HE HIS 85 -5.758 -6.060 -8.596 663 H LEU 86 HN LEU 86 -5.861 -6.365 -2.694 664 HA LEU 86 HA LEU 86 -5.409 -3.478 -2.631 665 HB2 LEU 86 2HB LEU 86 -4.183 -5.811 -1.213 666 HB3 LEU 86 3HB LEU 86 -3.310 -4.298 -1.311 667 HG LEU 86 HG LEU 86 -5.401 -3.226 -0.287 668 HD11 LEU 86 1HD1 LEU 86 -5.954 -6.106 0.404 669 HD12 LEU 86 2HD1 LEU 86 -6.942 -5.066 -0.626 670 HD13 LEU 86 3HD1 LEU 86 -6.773 -4.702 1.092 671 HD21 LEU 86 3HD2 LEU 86 -3.720 -5.144 1.317 672 HD22 LEU 86 1HD2 LEU 86 -4.671 -3.814 1.978 673 HD23 LEU 86 2HD2 LEU 86 -3.312 -3.477 0.906 674 H HIS 87 HN HIS 87 -4.187 -2.518 -4.083 675 HA HIS 87 HA HIS 87 -2.270 -4.175 -5.597 676 HB2 HIS 87 2HB HIS 87 -4.276 -3.075 -6.809 677 HB3 HIS 87 3HB HIS 87 -3.395 -1.565 -6.588 678 HD1 HIS 87 1HD HIS 87 -0.589 -2.220 -7.338 679 HD2 HIS 87 2HD HIS 87 -3.834 -3.879 -9.334 680 HE1 HIS 87 1HE HIS 87 0.295 -2.970 -9.562 681 HE2 HIS 87 2HE HIS 87 -1.620 -4.185 -10.642 682 H ALA 88 HN ALA 88 -0.257 -3.809 -4.953 683 HA ALA 88 HA ALA 88 0.447 -1.277 -3.686 684 HB1 ALA 88 1HB ALA 88 2.530 -2.366 -3.078 685 HB2 ALA 88 2HB ALA 88 2.125 -3.755 -4.085 686 HB3 ALA 88 3HB ALA 88 1.164 -3.396 -2.648 687 H TRP 89 HN TRP 89 1.954 0.150 -4.451 688 HA TRP 89 HA TRP 89 3.312 -0.465 -6.971 689 HB2 TRP 89 2HB TRP 89 2.682 1.581 -8.020 690 HB3 TRP 89 3HB TRP 89 1.188 0.896 -7.388 691 HD1 TRP 89 1HD TRP 89 0.463 1.967 -4.878 692 HE1 TRP 89 1HE TRP 89 0.501 4.437 -4.181 693 HE3 TRP 89 3HE TRP 89 3.758 3.737 -8.334 694 HZ2 TRP 89 2HZ TRP 89 1.756 6.826 -4.978 695 HZ3 TRP 89 3HZ TRP 89 4.333 6.127 -8.299 696 HH2 TRP 89 2HH TRP 89 3.354 7.639 -6.655 697 H HIS 90 HN HIS 90 5.274 0.689 -7.266 698 HA HIS 90 HA HIS 90 6.444 1.679 -4.782 699 HB2 HIS 90 2HB HIS 90 7.792 0.100 -6.049 700 HB3 HIS 90 3HB HIS 90 7.645 1.079 -7.501 701 HD1 HIS 90 1HD HIS 90 9.343 2.920 -7.843 702 HD2 HIS 90 2HD HIS 90 9.529 1.210 -4.052 703 HE1 HIS 90 1HE HIS 90 11.428 3.837 -6.782 704 HE2 HIS 90 2HE HIS 90 11.626 2.646 -4.571 705 H VAL 91 HN VAL 91 6.899 3.794 -4.429 706 HA VAL 91 HA VAL 91 5.787 5.688 -6.346 707 HB VAL 91 HB VAL 91 6.977 6.245 -3.613 708 HG11 VAL 91 1HG1 VAL 91 5.122 7.867 -5.350 709 HG12 VAL 91 2HG1 VAL 91 6.824 8.207 -5.041 710 HG13 VAL 91 3HG1 VAL 91 5.655 8.303 -3.726 711 HG21 VAL 91 3HG2 VAL 91 4.686 6.231 -2.769 712 HG22 VAL 91 1HG2 VAL 91 5.139 4.658 -3.426 713 HG23 VAL 91 2HG2 VAL 91 4.101 5.737 -4.360 714 HA PRO 92 HA PRO 92 10.057 6.343 -7.695 715 HB2 PRO 92 2HB PRO 92 9.441 7.446 -10.074 716 HB3 PRO 92 3HB PRO 92 9.337 5.704 -9.798 717 HG2 PRO 92 2HG PRO 92 7.161 7.751 -9.854 718 HG3 PRO 92 3HG PRO 92 7.161 6.099 -10.501 719 HD2 PRO 92 2HD PRO 92 6.023 6.828 -8.107 720 HD3 PRO 92 3HD PRO 92 6.582 5.189 -8.489 721 H ASP 93 HN ASP 93 7.400 8.610 -7.526 722 HA ASP 93 HA ASP 93 9.193 10.735 -6.726 723 HB2 ASP 93 2HB ASP 93 9.225 11.008 -9.143 724 HB3 ASP 93 3HB ASP 93 7.468 10.952 -9.187 725 H PHE 94 HN PHE 94 8.253 12.110 -5.391 726 HA PHE 94 HA PHE 94 5.369 12.414 -5.278 727 HB2 PHE 94 2HB PHE 94 5.297 11.995 -2.818 728 HB3 PHE 94 3HB PHE 94 5.665 10.551 -3.750 729 HD1 PHE 94 1HD PHE 94 8.050 9.745 -3.842 730 HD2 PHE 94 2HD PHE 94 6.750 12.785 -1.163 731 HE1 PHE 94 1HE PHE 94 10.056 9.380 -2.464 732 HE2 PHE 94 2HE PHE 94 8.754 12.429 0.215 733 HZ PHE 94 HZ PHE 94 10.409 10.726 -0.431 734 H HIS 95 HN HIS 95 4.760 14.416 -4.649 735 HA HIS 95 HA HIS 95 6.938 16.285 -3.995 736 HB2 HIS 95 2HB HIS 95 4.209 16.849 -5.168 737 HB3 HIS 95 3HB HIS 95 5.482 18.028 -4.932 738 HD1 HIS 95 1HD HIS 95 4.073 17.089 -7.696 739 HD2 HIS 95 2HD HIS 95 7.875 16.095 -6.324 740 HE1 HIS 95 1HE HIS 95 5.394 16.472 -9.742 741 HE2 HIS 95 2HE HIS 95 7.589 15.631 -8.851 742 H GLY 96 HN GLY 96 6.800 17.614 -2.221 743 HA2 GLY 96 2HA GLY 96 5.498 18.752 -0.531 744 HA3 GLY 96 3HA GLY 96 4.354 17.417 -0.590 745 H THR 97 HN THR 97 4.620 17.401 1.767 746 HA THR 97 HA THR 97 6.969 15.798 2.512 747 HB THR 97 HB THR 97 5.564 17.813 4.282 748 HG1 THR 97 1HG THR 97 7.425 18.172 2.427 749 HG21 THR 97 3HG2 THR 97 7.400 17.357 5.851 750 HG22 THR 97 1HG2 THR 97 8.037 16.136 4.752 751 HG23 THR 97 2HG2 THR 97 6.467 15.896 5.520 752 H LEU 98 HN LEU 98 6.546 13.977 3.635 753 HA LEU 98 HA LEU 98 3.847 13.044 3.496 754 HB2 LEU 98 2HB LEU 98 5.030 11.009 4.788 755 HB3 LEU 98 3HB LEU 98 5.010 11.192 3.053 756 HG LEU 98 HG LEU 98 7.192 10.479 4.063 757 HD11 LEU 98 1HD1 LEU 98 8.570 11.896 2.627 758 HD12 LEU 98 2HD1 LEU 98 7.215 13.003 2.424 759 HD13 LEU 98 3HD1 LEU 98 7.100 11.353 1.822 760 HD21 LEU 98 3HD2 LEU 98 7.258 11.835 6.043 761 HD22 LEU 98 1HD2 LEU 98 7.259 13.312 5.083 762 HD23 LEU 98 2HD2 LEU 98 8.642 12.224 5.023 763 H GLN 99 HN GLN 99 2.365 13.118 4.955 764 HA GLN 99 HA GLN 99 3.146 13.341 7.779 765 HB2 GLN 99 2HB GLN 99 1.414 14.942 8.192 766 HB3 GLN 99 3HB GLN 99 2.347 15.526 6.816 767 HG2 GLN 99 2HG GLN 99 0.640 14.851 5.285 768 HG3 GLN 99 3HG GLN 99 -0.258 14.038 6.569 769 HE21 GLN 99 1HE2 GLN 99 -1.100 16.180 4.774 770 HE22 GLN 99 2HE2 GLN 99 -1.591 17.492 5.793 771 H ALA 100 HN ALA 100 1.282 12.719 9.233 772 HA ALA 100 HA ALA 100 -0.180 10.468 8.005 773 HB1 ALA 100 1HB ALA 100 0.434 10.817 10.931 774 HB2 ALA 100 2HB ALA 100 1.485 9.962 9.804 775 HB3 ALA 100 3HB ALA 100 -0.145 9.366 10.109 776 H HIS 101 HN HIS 101 -2.320 10.677 7.753 777 HA HIS 101 HA HIS 101 -3.762 12.745 9.219 778 HB2 HIS 101 2HB HIS 101 -4.038 12.565 6.761 779 HB3 HIS 101 3HB HIS 101 -4.617 10.913 6.963 780 HD1 HIS 101 1HD HIS 101 -7.018 10.779 6.641 781 HD2 HIS 101 2HD HIS 101 -5.916 14.351 8.484 782 HE1 HIS 101 1HE HIS 101 -9.167 12.040 7.038 783 HE2 HIS 101 2HE HIS 101 -8.460 14.249 8.023 784 H GLU 102 HN GLU 102 -4.754 9.545 8.108 785 HA GLU 102 HA GLU 102 -6.359 9.058 10.431 786 HB2 GLU 102 2HB GLU 102 -6.163 8.083 7.807 787 HB3 GLU 102 3HB GLU 102 -5.725 6.721 8.834 788 HG2 GLU 102 2HG GLU 102 -8.240 8.345 9.059 789 HG3 GLU 102 3HG GLU 102 -8.104 6.736 8.349 790 H HIS 103 HN HIS 103 -3.378 7.839 9.087 791 HA HIS 103 HA HIS 103 -2.908 5.917 11.134 792 HB2 HIS 103 2HB HIS 103 -1.036 7.104 9.068 793 HB3 HIS 103 3HB HIS 103 -0.716 5.664 10.030 794 HD1 HIS 103 1HD HIS 103 -3.053 6.881 7.276 795 HD2 HIS 103 2HD HIS 103 -1.744 3.335 9.020 796 HE1 HIS 103 1HE HIS 103 -3.962 5.034 5.834 797 HE2 HIS 103 2HE HIS 103 -3.326 2.896 7.020 798 H GLN 104 HN GLN 104 -1.192 6.030 12.735 799 HA GLN 104 HA GLN 104 -1.098 8.733 13.835 800 HB2 GLN 104 2HB GLN 104 -1.863 6.760 15.195 801 HB3 GLN 104 3HB GLN 104 -0.212 6.157 15.139 802 HG2 GLN 104 2HG GLN 104 0.559 8.185 16.274 803 HG3 GLN 104 3HG GLN 104 -1.104 8.764 16.348 804 HE21 GLN 104 1HE2 GLN 104 1.215 6.538 17.608 805 HE22 GLN 104 2HE2 GLN 104 0.269 5.983 18.951 806 H ALA 105 HN ALA 105 1.251 6.048 13.696 807 HA ALA 105 HA ALA 105 3.397 8.035 13.707 808 HB1 ALA 105 1HB ALA 105 3.538 5.061 14.173 809 HB2 ALA 105 2HB ALA 105 3.456 6.293 15.432 810 HB3 ALA 105 3HB ALA 105 4.859 6.211 14.367 811 H LEU 106 HN LEU 106 5.181 7.858 12.261 812 HA LEU 106 HA LEU 106 4.718 6.246 9.847 813 HB2 LEU 106 2HB LEU 106 4.677 9.099 10.062 814 HB3 LEU 106 3HB LEU 106 6.107 8.635 9.165 815 HG LEU 106 HG LEU 106 4.712 7.407 7.563 816 HD11 LEU 106 1HD1 LEU 106 2.407 8.503 9.159 817 HD12 LEU 106 2HD1 LEU 106 2.865 6.808 9.022 818 HD13 LEU 106 3HD1 LEU 106 2.283 7.683 7.605 819 HD21 LEU 106 3HD2 LEU 106 3.704 9.354 6.496 820 HD22 LEU 106 1HD2 LEU 106 5.298 9.740 7.143 821 HD23 LEU 106 2HD2 LEU 106 3.848 10.262 8.000 822 H VAL 107 HN VAL 107 6.461 5.003 9.418 823 HA VAL 107 HA VAL 107 9.064 5.871 10.488 824 HB VAL 107 HB VAL 107 8.024 4.135 11.960 825 HG11 VAL 107 1HG1 VAL 107 7.962 1.809 11.167 826 HG12 VAL 107 2HG1 VAL 107 8.349 2.367 9.540 827 HG13 VAL 107 3HG1 VAL 107 6.829 2.843 10.297 828 HG21 VAL 107 3HG2 VAL 107 10.564 3.369 10.531 829 HG22 VAL 107 1HG2 VAL 107 10.020 2.675 12.058 830 HG23 VAL 107 2HG2 VAL 107 10.416 4.390 11.960 831 H TRP 108 HN TRP 108 10.846 5.416 9.245 832 HA TRP 108 HA TRP 108 10.327 4.136 6.645 833 HB2 TRP 108 2HB TRP 108 12.615 5.929 7.495 834 HB3 TRP 108 3HB TRP 108 12.413 5.223 5.897 835 HD1 TRP 108 1HD TRP 108 10.275 6.162 4.433 836 HE1 TRP 108 1HE TRP 108 9.186 8.494 4.443 837 HE3 TRP 108 3HE TRP 108 12.058 7.879 8.912 838 HZ2 TRP 108 2HZ TRP 108 9.100 10.764 6.123 839 HZ3 TRP 108 3HZ TRP 108 11.425 10.142 9.643 840 HH2 TRP 108 2HH TRP 108 9.976 11.553 8.275 841 H CYS 109 HN CYS 109 10.926 2.095 6.527 842 HA CYS 109 HA CYS 109 13.481 1.328 7.727 843 HB2 CYS 109 2HB CYS 109 12.520 -0.798 8.567 844 HB3 CYS 109 3HB CYS 109 11.858 0.614 9.380 845 HG CYS 109 HG CYS 109 9.994 -0.250 6.785 846 H SER 110 HN SER 110 14.353 -0.645 6.818 847 HA SER 110 HA SER 110 14.194 -0.592 3.977 848 HB2 SER 110 2HB SER 110 15.525 -2.712 5.674 849 HB3 SER 110 3HB SER 110 15.981 -2.164 4.060 850 HG SER 110 HG SER 110 17.289 -0.876 5.088 851 HA PRO 111 HA PRO 111 11.148 -3.509 2.780 852 HB2 PRO 111 2HB PRO 111 13.296 -5.225 1.660 853 HB3 PRO 111 3HB PRO 111 11.838 -4.596 0.900 854 HG2 PRO 111 2HG PRO 111 14.297 -3.573 0.444 855 HG3 PRO 111 3HG PRO 111 12.812 -2.614 0.343 856 HD2 PRO 111 2HD PRO 111 14.954 -2.551 2.349 857 HD3 PRO 111 3HD PRO 111 13.725 -1.331 1.974 858 H GLU 112 HN GLU 112 14.104 -5.287 3.764 859 HA GLU 112 HA GLU 112 12.568 -7.528 4.660 860 HB2 GLU 112 2HB GLU 112 14.763 -8.298 5.671 861 HB3 GLU 112 3HB GLU 112 14.740 -8.075 3.931 862 HG2 GLU 112 2HG GLU 112 15.765 -5.970 5.803 863 HG3 GLU 112 3HG GLU 112 16.784 -7.270 5.190 864 H GLU 113 HN GLU 113 13.813 -4.656 6.169 865 HA GLU 113 HA GLU 113 13.426 -5.404 8.869 866 HB2 GLU 113 2HB GLU 113 13.300 -2.674 7.569 867 HB3 GLU 113 3HB GLU 113 13.373 -2.961 9.301 868 HG2 GLU 113 2HG GLU 113 15.499 -3.820 7.357 869 HG3 GLU 113 3HG GLU 113 15.531 -2.310 8.264 870 H ALA 114 HN ALA 114 11.353 -3.905 6.445 871 HA ALA 114 HA ALA 114 9.191 -3.184 8.074 872 HB1 ALA 114 1HB ALA 114 9.116 -3.972 5.163 873 HB2 ALA 114 2HB ALA 114 9.530 -2.372 5.778 874 HB3 ALA 114 3HB ALA 114 7.908 -3.020 6.026 875 H LEU 115 HN LEU 115 9.956 -6.255 6.531 876 HA LEU 115 HA LEU 115 7.376 -7.366 7.072 877 HB2 LEU 115 2HB LEU 115 9.506 -8.016 5.429 878 HB3 LEU 115 3HB LEU 115 9.515 -9.294 6.627 879 HG LEU 115 HG LEU 115 8.188 -9.669 4.453 880 HD11 LEU 115 1HD1 LEU 115 6.470 -10.944 5.601 881 HD12 LEU 115 2HD1 LEU 115 6.825 -10.089 7.104 882 HD13 LEU 115 3HD1 LEU 115 8.039 -11.146 6.382 883 HD21 LEU 115 3HD2 LEU 115 5.961 -8.813 4.355 884 HD22 LEU 115 1HD2 LEU 115 7.058 -7.448 4.542 885 HD23 LEU 115 2HD2 LEU 115 6.130 -8.031 5.924 886 H GLN 116 HN GLN 116 10.104 -6.784 8.983 887 HA GLN 116 HA GLN 116 9.467 -8.851 10.912 888 HB2 GLN 116 2HB GLN 116 11.418 -6.545 10.989 889 HB3 GLN 116 3HB GLN 116 11.216 -7.708 12.292 890 HG2 GLN 116 2HG GLN 116 11.896 -9.508 10.783 891 HG3 GLN 116 3HG GLN 116 12.106 -8.334 9.484 892 HE21 GLN 116 1HE2 GLN 116 13.340 -9.506 12.524 893 HE22 GLN 116 2HE2 GLN 116 14.885 -8.732 12.416 894 H TYR 117 HN TYR 117 8.171 -5.949 10.032 895 HA TYR 117 HA TYR 117 7.357 -5.128 12.706 896 HB2 TYR 117 2HB TYR 117 7.049 -3.961 9.956 897 HB3 TYR 117 3HB TYR 117 5.979 -3.436 11.249 898 HD1 TYR 117 1HD TYR 117 9.545 -3.643 10.247 899 HD2 TYR 117 2HD TYR 117 6.686 -1.865 12.837 900 HE1 TYR 117 1HE TYR 117 11.240 -2.025 10.999 901 HE2 TYR 117 2HE TYR 117 8.366 -0.239 13.593 902 HH TYR 117 HH TYR 117 10.761 0.004 13.718 903 HA PRO 118 HA PRO 118 3.429 -7.183 12.412 904 HB2 PRO 118 2HB PRO 118 1.800 -5.492 13.767 905 HB3 PRO 118 3HB PRO 118 2.994 -6.519 14.566 906 HG2 PRO 118 2HG PRO 118 3.126 -3.610 13.915 907 HG3 PRO 118 3HG PRO 118 3.714 -4.470 15.349 908 HD2 PRO 118 2HD PRO 118 5.314 -3.664 13.269 909 HD3 PRO 118 3HD PRO 118 5.699 -5.016 14.349 910 H LEU 119 HN LEU 119 3.501 -6.730 10.067 911 HA LEU 119 HA LEU 119 1.892 -4.531 9.091 912 HB2 LEU 119 2HB LEU 119 3.257 -6.835 7.695 913 HB3 LEU 119 3HB LEU 119 2.307 -5.626 6.855 914 HG LEU 119 HG LEU 119 4.858 -5.111 8.404 915 HD11 LEU 119 1HD1 LEU 119 4.278 -5.057 5.444 916 HD12 LEU 119 2HD1 LEU 119 5.222 -6.281 6.296 917 HD13 LEU 119 3HD1 LEU 119 5.804 -4.617 6.211 918 HD21 LEU 119 3HD2 LEU 119 3.300 -3.226 8.546 919 HD22 LEU 119 1HD2 LEU 119 3.139 -3.223 6.790 920 HD23 LEU 119 2HD2 LEU 119 4.691 -2.838 7.534 921 H ALA 120 HN ALA 120 -0.051 -4.798 7.889 922 HA ALA 120 HA ALA 120 -1.906 -6.633 8.930 923 HB1 ALA 120 1HB ALA 120 -2.046 -5.038 6.371 924 HB2 ALA 120 2HB ALA 120 -2.560 -4.489 7.966 925 HB3 ALA 120 3HB ALA 120 -3.409 -5.815 7.174 926 HA PRO 121 HA PRO 121 -1.381 -10.451 6.936 927 HB2 PRO 121 2HB PRO 121 -3.924 -10.983 5.958 928 HB3 PRO 121 3HB PRO 121 -3.359 -11.306 7.600 929 HG2 PRO 121 2HG PRO 121 -4.952 -9.004 6.556 930 HG3 PRO 121 3HG PRO 121 -5.094 -9.864 8.103 931 HD2 PRO 121 2HD PRO 121 -3.926 -7.463 7.954 932 HD3 PRO 121 3HD PRO 121 -3.305 -8.720 9.045 933 H ALA 122 HN ALA 122 -2.753 -7.919 4.955 934 HA ALA 122 HA ALA 122 -2.218 -9.484 2.530 935 HB1 ALA 122 1HB ALA 122 -3.375 -7.636 1.344 936 HB2 ALA 122 2HB ALA 122 -3.671 -6.872 2.906 937 HB3 ALA 122 3HB ALA 122 -4.378 -8.447 2.544 938 H ASP 123 HN ASP 123 -0.883 -7.090 4.499 939 HA ASP 123 HA ASP 123 0.551 -5.674 2.443 940 HB2 ASP 123 2HB ASP 123 0.671 -5.593 5.462 941 HB3 ASP 123 3HB ASP 123 1.639 -4.553 4.419 942 H ILE 124 HN ILE 124 1.055 -8.366 4.540 943 HA ILE 124 HA ILE 124 3.877 -8.450 4.506 944 HB ILE 124 HB ILE 124 1.907 -10.730 4.799 945 HG12 ILE 124 2HG1 ILE 124 3.431 -9.163 6.893 946 HG13 ILE 124 3HG1 ILE 124 1.731 -8.930 6.504 947 HG21 ILE 124 1HG2 ILE 124 4.864 -10.623 5.383 948 HG22 ILE 124 2HG2 ILE 124 4.070 -11.583 4.134 949 HG23 ILE 124 3HG2 ILE 124 3.787 -11.944 5.837 950 HD11 ILE 124 3HD1 ILE 124 1.248 -11.200 7.245 951 HD12 ILE 124 1HD1 ILE 124 2.019 -10.256 8.520 952 HD13 ILE 124 2HD1 ILE 124 2.955 -11.447 7.615 953 HA PRO 125 HA PRO 125 3.339 -11.560 0.692 954 HB2 PRO 125 2HB PRO 125 0.948 -10.950 -0.661 955 HB3 PRO 125 3HB PRO 125 1.278 -12.403 0.293 956 HG2 PRO 125 2HG PRO 125 -0.154 -9.914 1.059 957 HG3 PRO 125 3HG PRO 125 -0.472 -11.590 1.539 958 HD2 PRO 125 2HD PRO 125 0.685 -9.861 3.211 959 HD3 PRO 125 3HD PRO 125 1.178 -11.565 3.164 960 H LEU 126 HN LEU 126 2.000 -8.285 0.721 961 HA LEU 126 HA LEU 126 2.749 -7.635 -1.950 962 HB2 LEU 126 2HB LEU 126 2.136 -5.904 0.447 963 HB3 LEU 126 3HB LEU 126 2.479 -5.258 -1.146 964 HG LEU 126 HG LEU 126 0.158 -7.057 -0.452 965 HD11 LEU 126 1HD1 LEU 126 -0.134 -4.867 0.510 966 HD12 LEU 126 2HD1 LEU 126 -1.192 -5.037 -0.891 967 HD13 LEU 126 3HD1 LEU 126 0.298 -4.103 -1.019 968 HD21 LEU 126 3HD2 LEU 126 0.869 -5.653 -3.022 969 HD22 LEU 126 1HD2 LEU 126 -0.622 -6.543 -2.713 970 HD23 LEU 126 2HD2 LEU 126 0.924 -7.392 -2.737 971 H LEU 127 HN LEU 127 4.255 -7.241 1.212 972 HA LEU 127 HA LEU 127 6.489 -5.780 0.191 973 HB2 LEU 127 2HB LEU 127 5.603 -5.681 2.549 974 HB3 LEU 127 3HB LEU 127 6.289 -7.271 2.808 975 HG LEU 127 HG LEU 127 7.633 -5.293 3.661 976 HD11 LEU 127 1HD1 LEU 127 8.982 -7.172 1.733 977 HD12 LEU 127 2HD1 LEU 127 8.626 -7.498 3.429 978 HD13 LEU 127 3HD1 LEU 127 9.782 -6.237 2.996 979 HD21 LEU 127 3HD2 LEU 127 8.157 -4.947 0.718 980 HD22 LEU 127 1HD2 LEU 127 9.027 -4.133 2.017 981 HD23 LEU 127 2HD2 LEU 127 7.312 -3.812 1.770 982 H GLU 128 HN GLU 128 5.787 -9.171 0.922 983 HA GLU 128 HA GLU 128 8.324 -10.258 0.667 984 HB2 GLU 128 2HB GLU 128 5.710 -11.435 -0.300 985 HB3 GLU 128 3HB GLU 128 7.203 -12.332 -0.062 986 HG2 GLU 128 2HG GLU 128 7.089 -11.577 2.358 987 HG3 GLU 128 3HG GLU 128 5.440 -11.067 2.003 988 H ALA 129 HN ALA 129 5.985 -9.401 -1.866 989 HA ALA 129 HA ALA 129 7.773 -10.291 -3.941 990 HB1 ALA 129 1HB ALA 129 6.150 -9.645 -5.500 991 HB2 ALA 129 2HB ALA 129 5.329 -8.597 -4.338 992 HB3 ALA 129 3HB ALA 129 5.275 -10.354 -4.140 993 H PHE 130 HN PHE 130 7.295 -7.344 -2.190 994 HA PHE 130 HA PHE 130 8.325 -5.616 -4.218 995 HB2 PHE 130 2HB PHE 130 6.947 -4.763 -2.349 996 HB3 PHE 130 3HB PHE 130 8.213 -5.220 -1.215 997 HD1 PHE 130 1HD PHE 130 7.433 -3.005 -4.068 998 HD2 PHE 130 2HD PHE 130 10.039 -3.801 -0.801 999 HE1 PHE 130 1HE PHE 130 8.500 -0.813 -4.389 1000 HE2 PHE 130 2HE PHE 130 11.110 -1.610 -1.116 1001 HZ PHE 130 HZ PHE 130 10.343 -0.114 -2.913 1002 H MET 131 HN MET 131 9.657 -7.198 -1.340 1003 HA MET 131 HA MET 131 12.327 -6.383 -1.867 1004 HB2 MET 131 2HB MET 131 12.994 -7.952 -0.155 1005 HB3 MET 131 3HB MET 131 11.545 -7.111 0.378 1006 HG2 MET 131 2HG MET 131 10.189 -9.041 -0.184 1007 HG3 MET 131 3HG MET 131 11.613 -9.884 -0.794 1008 HE1 MET 131 3HE MET 131 10.800 -11.855 2.496 1009 HE2 MET 131 1HE MET 131 11.071 -11.971 0.758 1010 HE3 MET 131 2HE MET 131 9.638 -11.150 1.374 1011 H ALA 132 HN ALA 132 10.374 -9.181 -2.858 1012 HA ALA 132 HA ALA 132 12.383 -10.611 -4.157 1013 HB1 ALA 132 1HB ALA 132 9.451 -10.334 -4.871 1014 HB2 ALA 132 2HB ALA 132 10.151 -11.510 -3.753 1015 HB3 ALA 132 3HB ALA 132 10.546 -11.586 -5.470 1016 H LEU 133 HN LEU 133 10.387 -7.894 -5.234 1017 HA LEU 133 HA LEU 133 11.167 -8.042 -7.957 1018 HB2 LEU 133 2HB LEU 133 9.376 -6.498 -6.382 1019 HB3 LEU 133 3HB LEU 133 10.407 -5.383 -7.258 1020 HG LEU 133 HG LEU 133 9.781 -6.496 -9.377 1021 HD11 LEU 133 1HD1 LEU 133 9.275 -8.705 -8.521 1022 HD12 LEU 133 2HD1 LEU 133 7.885 -8.050 -9.387 1023 HD13 LEU 133 3HD1 LEU 133 7.897 -8.066 -7.621 1024 HD21 LEU 133 3HD2 LEU 133 8.578 -4.513 -8.583 1025 HD22 LEU 133 1HD2 LEU 133 7.433 -5.554 -7.736 1026 HD23 LEU 133 2HD2 LEU 133 7.529 -5.596 -9.498 1027 H ARG 134 HN ARG 134 12.423 -6.334 -5.155 1028 HA ARG 134 HA ARG 134 14.283 -4.812 -6.739 1029 HB2 ARG 134 2HB ARG 134 14.033 -5.185 -3.752 1030 HB3 ARG 134 3HB ARG 134 15.193 -4.111 -4.520 1031 HG2 ARG 134 2HG ARG 134 13.381 -2.821 -5.498 1032 HG3 ARG 134 3HG ARG 134 12.203 -3.915 -4.775 1033 HD2 ARG 134 2HD ARG 134 12.398 -1.894 -3.458 1034 HD3 ARG 134 3HD ARG 134 12.989 -3.280 -2.546 1035 HE ARG 134 HE ARG 134 15.131 -2.406 -2.615 1036 HH11 ARG 134 1HH1 ARG 134 13.010 -0.556 -4.704 1037 HH12 ARG 134 2HH1 ARG 134 14.086 0.810 -4.801 1038 HH21 ARG 134 1HH2 ARG 134 16.537 -0.577 -2.714 1039 HH22 ARG 134 2HH2 ARG 134 16.072 0.795 -3.683 1040 H ALA 135 HN ALA 135 14.203 -7.940 -5.393 1041 HA ALA 135 HA ALA 135 17.094 -8.220 -5.289 1042 HB1 ALA 135 1HB ALA 135 14.932 -10.289 -4.895 1043 HB2 ALA 135 2HB ALA 135 15.721 -9.362 -3.618 1044 HB3 ALA 135 3HB ALA 135 16.654 -10.509 -4.579 1045 H ALA 136 HN ALA 136 14.408 -9.116 -7.366 1046 HA ALA 136 HA ALA 136 16.185 -10.612 -9.141 1047 HB1 ALA 136 1HB ALA 136 14.172 -11.210 -10.369 1048 HB2 ALA 136 2HB ALA 136 13.219 -10.111 -9.370 1049 HB3 ALA 136 3HB ALA 136 13.963 -11.537 -8.647 1050 H ARG 137 HN ARG 137 14.395 -7.659 -8.943 1051 HA ARG 137 HA ARG 137 14.411 -5.709 -10.019 1052 HB2 ARG 137 2HB ARG 137 16.368 -4.878 -10.798 1053 HB3 ARG 137 3HB ARG 137 17.008 -6.328 -10.044 1054 HG2 ARG 137 2HG ARG 137 17.123 -7.450 -12.161 1055 HG3 ARG 137 3HG ARG 137 16.291 -6.116 -12.960 1056 HD2 ARG 137 2HD ARG 137 18.688 -6.029 -13.382 1057 HD3 ARG 137 3HD ARG 137 18.158 -4.633 -12.445 1058 HE ARG 137 HE ARG 137 19.040 -5.864 -10.457 1059 HH11 ARG 137 1HH1 ARG 137 20.237 -6.601 -13.664 1060 HH12 ARG 137 2HH1 ARG 137 21.810 -7.075 -13.101 1061 HH21 ARG 137 1HH2 ARG 137 21.095 -6.503 -9.711 1062 HH22 ARG 137 2HH2 ARG 137 22.302 -7.025 -10.849 1063 HA PRO 138 HA PRO 138 12.224 -6.472 -13.845 1064 HB2 PRO 138 2HB PRO 138 11.791 -3.833 -14.423 1065 HB3 PRO 138 3HB PRO 138 10.790 -4.754 -13.292 1066 HG2 PRO 138 2HG PRO 138 13.058 -2.885 -12.730 1067 HG3 PRO 138 3HG PRO 138 11.496 -3.028 -11.901 1068 HD2 PRO 138 2HD PRO 138 13.746 -4.098 -10.880 1069 HD3 PRO 138 3HD PRO 138 12.167 -4.886 -10.693 1070 H ALA 139 HN ALA 139 13.105 -6.744 -15.802 1071 HA ALA 139 HA ALA 139 15.798 -5.766 -16.232 1072 HB1 ALA 139 1HB ALA 139 15.248 -8.121 -16.635 1073 HB2 ALA 139 2HB ALA 139 15.852 -7.330 -18.091 1074 HB3 ALA 139 3HB ALA 139 14.124 -7.635 -17.904 1075 H ASP 140 HN ASP 140 13.222 -4.122 -16.519 1076 HA ASP 140 HA ASP 140 13.834 -3.022 -19.174 1077 HB2 ASP 140 2HB ASP 140 11.096 -3.239 -17.893 1078 HB3 ASP 140 3HB ASP 140 11.447 -2.427 -19.416
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