NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522074 | 2l59 | 17268 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -19.844 -2.365 0.194 2 HA MET 1 HA MET 1 -19.276 -2.105 -2.127 3 HB2 MET 1 2HB MET 1 -18.101 -4.554 -0.759 4 HB3 MET 1 3HB MET 1 -17.488 -3.887 -2.280 5 HG2 MET 1 2HG MET 1 -17.003 -1.752 -1.249 6 HG3 MET 1 3HG MET 1 -17.718 -2.265 0.282 7 HE1 MET 1 3HE MET 1 -13.850 -1.799 0.950 8 HE2 MET 1 1HE MET 1 -14.865 -0.901 -0.196 9 HE3 MET 1 2HE MET 1 -15.481 -1.283 1.430 10 H THR 2 H THR 2 -19.321 -2.807 -4.219 11 HA THR 2 HA THR 2 -20.916 -5.184 -5.009 12 HB THR 2 HB THR 2 -22.450 -3.876 -6.362 13 HG1 THR 2 HG1 THR 2 -22.479 -1.630 -6.197 14 HG21 THR 2 3HG2 THR 2 -23.143 -4.291 -3.990 15 HG22 THR 2 1HG2 THR 2 -23.884 -2.867 -4.738 16 HG23 THR 2 2HG2 THR 2 -22.556 -2.659 -3.582 17 H ASP 3 H ASP 3 -21.195 -4.602 -7.734 18 HA ASP 3 HA ASP 3 -18.460 -4.642 -8.731 19 HB2 ASP 3 2HB ASP 3 -20.312 -5.933 -9.753 20 HB3 ASP 3 3HB ASP 3 -21.092 -4.421 -10.229 21 H SER 4 H SER 4 -20.867 -2.088 -8.257 22 HA SER 4 HA SER 4 -19.276 -0.122 -9.817 23 HB2 SER 4 2HB SER 4 -21.134 1.424 -9.280 24 HB3 SER 4 3HB SER 4 -21.625 -0.009 -10.197 25 HG SER 4 HG SER 4 -23.063 0.451 -8.463 26 H GLU 5 H GLU 5 -20.331 -0.729 -6.460 27 HA GLU 5 HA GLU 5 -18.354 1.202 -5.374 28 HB2 GLU 5 2HB GLU 5 -20.679 0.987 -4.439 29 HB3 GLU 5 3HB GLU 5 -20.272 -0.638 -3.901 30 HG2 GLU 5 2HG GLU 5 -18.411 0.367 -2.554 31 HG3 GLU 5 3HG GLU 5 -18.968 1.953 -3.070 32 H LYS 6 H LYS 6 -16.805 -0.141 -6.688 33 HA LYS 6 HA LYS 6 -16.364 -2.815 -6.546 34 HB2 LYS 6 2HB LYS 6 -15.366 -1.258 -8.169 35 HB3 LYS 6 3HB LYS 6 -14.269 -0.652 -6.938 36 HG2 LYS 6 2HG LYS 6 -13.147 -2.185 -8.467 37 HG3 LYS 6 3HG LYS 6 -13.103 -2.780 -6.818 38 HD2 LYS 6 2HD LYS 6 -13.463 -4.569 -8.469 39 HD3 LYS 6 3HD LYS 6 -14.793 -4.473 -7.317 40 HE2 LYS 6 2HE LYS 6 -16.186 -3.289 -8.955 41 HE3 LYS 6 3HE LYS 6 -14.849 -3.236 -10.108 42 HZ1 LYS 6 3HZ LYS 6 -16.019 -5.774 -9.099 43 HZ2 LYS 6 1HZ LYS 6 -14.943 -5.614 -10.317 44 HZ3 LYS 6 2HZ LYS 6 -16.482 -5.080 -10.498 45 H SER 7 H SER 7 -15.683 -4.290 -5.213 46 HA SER 7 HA SER 7 -15.026 -3.881 -2.547 47 HB2 SER 7 2HB SER 7 -14.338 -6.310 -4.233 48 HB3 SER 7 3HB SER 7 -14.493 -6.259 -2.466 49 HG SER 7 HG SER 7 -16.411 -7.016 -3.499 50 H ALA 8 H ALA 8 -13.211 -4.015 -1.279 51 HA ALA 8 HA ALA 8 -10.810 -2.930 -2.405 52 HB1 ALA 8 3HB ALA 8 -10.056 -2.891 -0.101 53 HB2 ALA 8 1HB ALA 8 -11.710 -2.272 -0.221 54 HB3 ALA 8 2HB ALA 8 -11.414 -3.917 0.402 55 H THR 9 H THR 9 -8.435 -5.687 -2.290 56 HA THR 9 HA THR 9 -8.643 -2.737 -2.015 57 HB THR 9 HB THR 9 -6.134 -2.904 -2.280 58 HG1 THR 9 HG1 THR 9 -5.489 -5.161 -1.625 59 HG21 THR 9 3HG2 THR 9 -7.307 -2.758 -0.108 60 HG22 THR 9 1HG2 THR 9 -5.766 -3.607 -0.007 61 HG23 THR 9 2HG2 THR 9 -7.295 -4.530 0.015 62 H ILE 10 H ILE 10 -7.629 -1.356 -3.596 63 HA ILE 10 HA ILE 10 -8.006 -2.228 -6.407 64 HB ILE 10 HB ILE 10 -7.508 0.074 -7.007 65 HG12 ILE 10 2HG1 ILE 10 -7.223 0.670 -4.029 66 HG13 ILE 10 3HG1 ILE 10 -5.896 0.593 -5.194 67 HG21 ILE 10 1HG2 ILE 10 -9.821 -0.682 -6.402 68 HG22 ILE 10 2HG2 ILE 10 -9.578 -0.020 -4.771 69 HG23 ILE 10 3HG2 ILE 10 -9.563 1.049 -6.188 70 HD11 ILE 10 3HD1 ILE 10 -6.921 2.470 -6.475 71 HD12 ILE 10 1HD1 ILE 10 -8.169 2.613 -5.210 72 HD13 ILE 10 2HD1 ILE 10 -6.471 2.905 -4.815 73 H LYS 11 H LYS 11 -6.296 -1.614 -7.972 74 HA LYS 11 HA LYS 11 -3.526 -2.143 -7.012 75 HB2 LYS 11 2HB LYS 11 -4.521 -4.222 -7.929 76 HB3 LYS 11 3HB LYS 11 -4.856 -3.389 -9.453 77 HG2 LYS 11 2HG LYS 11 -2.435 -3.006 -9.794 78 HG3 LYS 11 3HG LYS 11 -2.073 -3.791 -8.250 79 HD2 LYS 11 2HD LYS 11 -3.477 -5.142 -10.591 80 HD3 LYS 11 3HD LYS 11 -1.729 -5.212 -10.282 81 HE2 LYS 11 2HE LYS 11 -2.314 -6.138 -7.961 82 HE3 LYS 11 3HE LYS 11 -3.974 -6.342 -8.565 83 HZ1 LYS 11 3HZ LYS 11 -1.502 -7.583 -9.633 84 HZ2 LYS 11 1HZ LYS 11 -2.968 -7.733 -10.373 85 HZ3 LYS 11 2HZ LYS 11 -2.719 -8.376 -8.886 86 H VAL 12 H VAL 12 -1.956 -0.984 -8.036 87 HA VAL 12 HA VAL 12 -2.848 1.141 -9.956 88 HB VAL 12 HB VAL 12 -1.197 2.643 -8.797 89 HG11 VAL 12 1HG1 VAL 12 -2.786 3.288 -7.050 90 HG12 VAL 12 2HG1 VAL 12 -3.642 2.837 -8.534 91 HG13 VAL 12 3HG1 VAL 12 -3.598 1.714 -7.164 92 HG21 VAL 12 3HG2 VAL 12 -0.583 2.240 -6.498 93 HG22 VAL 12 1HG2 VAL 12 -1.472 0.712 -6.450 94 HG23 VAL 12 2HG2 VAL 12 -0.014 0.849 -7.441 95 H THR 13 H THR 13 -1.278 2.054 -11.327 96 HA THR 13 HA THR 13 1.121 0.402 -11.942 97 HB THR 13 HB THR 13 0.539 0.492 -14.344 98 HG1 THR 13 HG1 THR 13 -1.606 1.007 -14.894 99 HG21 THR 13 3HG2 THR 13 -0.054 -1.530 -12.999 100 HG22 THR 13 1HG2 THR 13 -1.125 -1.263 -14.385 101 HG23 THR 13 2HG2 THR 13 -1.679 -0.854 -12.748 102 H ASP 14 H ASP 14 2.651 1.507 -13.426 103 HA ASP 14 HA ASP 14 3.302 3.971 -12.314 104 HB2 ASP 14 2HB ASP 14 4.816 2.274 -13.442 105 HB3 ASP 14 3HB ASP 14 4.316 2.921 -14.990 106 H ALA 15 H ALA 15 1.380 3.472 -15.222 107 HA ALA 15 HA ALA 15 1.526 6.244 -16.121 108 HB1 ALA 15 3HB ALA 15 1.246 4.346 -17.673 109 HB2 ALA 15 1HB ALA 15 -0.317 3.950 -16.915 110 HB3 ALA 15 2HB ALA 15 -0.111 5.482 -17.790 111 H SER 16 H SER 16 -0.372 4.625 -13.719 112 HA SER 16 HA SER 16 -2.504 6.733 -13.773 113 HB2 SER 16 2HB SER 16 -2.722 3.815 -12.970 114 HB3 SER 16 3HB SER 16 -4.027 5.021 -12.938 115 HG SER 16 HG SER 16 -4.026 3.720 -14.856 116 H PHE 17 H PHE 17 -0.093 5.264 -11.754 117 HA PHE 17 HA PHE 17 -1.085 5.331 -9.206 118 HB2 PHE 17 2HB PHE 17 1.197 4.609 -10.073 119 HB3 PHE 17 3HB PHE 17 1.696 6.287 -10.013 120 HD1 PHE 17 HD1 PHE 17 1.646 7.474 -7.670 121 HD2 PHE 17 HD2 PHE 17 1.323 3.207 -8.218 122 HE1 PHE 17 HE1 PHE 17 2.298 7.114 -5.302 123 HE2 PHE 17 HE2 PHE 17 2.050 2.852 -5.887 124 HZ PHE 17 HZ PHE 17 2.515 4.811 -4.405 125 H ALA 18 H ALA 18 0.201 8.185 -10.969 126 HA ALA 18 HA ALA 18 -0.006 9.930 -8.734 127 HB1 ALA 18 3HB ALA 18 0.067 10.578 -11.709 128 HB2 ALA 18 1HB ALA 18 0.377 11.721 -10.383 129 HB3 ALA 18 2HB ALA 18 1.478 10.357 -10.643 130 H THR 19 H THR 19 -2.426 8.991 -11.141 131 HA THR 19 HA THR 19 -4.373 11.012 -10.234 132 HB THR 19 HB THR 19 -4.810 8.558 -11.983 133 HG1 THR 19 HG1 THR 19 -4.527 9.997 -13.694 134 HG21 THR 19 3HG2 THR 19 -6.693 9.908 -12.908 135 HG22 THR 19 1HG2 THR 19 -6.379 11.163 -11.687 136 HG23 THR 19 2HG2 THR 19 -6.924 9.543 -11.196 137 H ASP 20 H ASP 20 -3.659 7.573 -9.616 138 HA ASP 20 HA ASP 20 -6.140 7.166 -8.119 139 HB2 ASP 20 2HB ASP 20 -3.663 5.454 -8.516 140 HB3 ASP 20 3HB ASP 20 -5.067 4.942 -7.581 141 H VAL 21 H VAL 21 -2.715 7.502 -7.165 142 HA VAL 21 HA VAL 21 -3.466 7.450 -4.285 143 HB VAL 21 HB VAL 21 -0.711 7.413 -5.565 144 HG11 VAL 21 1HG1 VAL 21 -0.716 8.191 -3.200 145 HG12 VAL 21 2HG1 VAL 21 -1.584 6.715 -2.731 146 HG13 VAL 21 3HG1 VAL 21 0.058 6.622 -3.394 147 HG21 VAL 21 3HG2 VAL 21 -2.410 5.098 -4.535 148 HG22 VAL 21 1HG2 VAL 21 -1.903 5.378 -6.217 149 HG23 VAL 21 2HG2 VAL 21 -0.697 4.994 -4.997 150 H LEU 22 H LEU 22 -1.505 9.481 -6.520 151 HA LEU 22 HA LEU 22 -1.113 11.430 -4.417 152 HB2 LEU 22 2HB LEU 22 -0.261 11.718 -7.293 153 HB3 LEU 22 3HB LEU 22 0.369 12.562 -5.891 154 HG LEU 22 HG LEU 22 0.660 9.581 -6.438 155 HD11 LEU 22 1HD1 LEU 22 3.020 10.092 -6.811 156 HD12 LEU 22 2HD1 LEU 22 2.715 11.819 -6.520 157 HD13 LEU 22 3HD1 LEU 22 2.006 11.013 -7.933 158 HD21 LEU 22 3HD2 LEU 22 2.246 9.543 -4.570 159 HD22 LEU 22 1HD2 LEU 22 0.649 10.026 -3.993 160 HD23 LEU 22 2HD2 LEU 22 1.915 11.252 -4.225 161 H SER 23 H SER 23 -3.574 11.174 -6.783 162 HA SER 23 HA SER 23 -4.352 14.017 -6.487 163 HB2 SER 23 2HB SER 23 -4.426 12.642 -8.679 164 HB3 SER 23 3HB SER 23 -5.949 12.002 -8.023 165 HG SER 23 HG SER 23 -6.245 13.888 -9.318 166 H SER 24 H SER 24 -4.802 11.220 -4.677 167 HA SER 24 HA SER 24 -7.614 11.368 -4.056 168 HB2 SER 24 2HB SER 24 -6.284 9.326 -3.779 169 HB3 SER 24 3HB SER 24 -5.385 10.101 -2.453 170 HG SER 24 HG SER 24 -7.328 8.773 -1.912 171 H ASN 25 H ASN 25 -8.684 12.230 -2.340 172 HA ASN 25 HA ASN 25 -7.452 14.418 -0.805 173 HB2 ASN 25 2HB ASN 25 -9.682 14.972 -0.197 174 HB3 ASN 25 3HB ASN 25 -9.740 14.542 -1.898 175 HD21 ASN 25 1HD2 ASN 25 -11.080 13.925 1.197 176 HD22 ASN 25 2HD2 ASN 25 -12.026 12.519 0.738 177 H LYS 26 H LYS 26 -7.512 11.128 -0.394 178 HA LYS 26 HA LYS 26 -8.306 11.048 2.462 179 HB2 LYS 26 2HB LYS 26 -7.796 8.775 0.487 180 HB3 LYS 26 3HB LYS 26 -8.582 8.645 2.061 181 HG2 LYS 26 2HG LYS 26 -10.393 10.150 1.270 182 HG3 LYS 26 3HG LYS 26 -9.614 10.182 -0.330 183 HD2 LYS 26 2HD LYS 26 -9.939 7.775 -0.600 184 HD3 LYS 26 3HD LYS 26 -10.652 7.670 1.019 185 HE2 LYS 26 2HE LYS 26 -12.422 7.676 -0.637 186 HE3 LYS 26 3HE LYS 26 -12.505 9.146 0.335 187 HZ1 LYS 26 3HZ LYS 26 -11.458 10.365 -1.501 188 HZ2 LYS 26 1HZ LYS 26 -12.779 9.586 -2.059 189 HZ3 LYS 26 2HZ LYS 26 -11.296 8.989 -2.382 190 HA PRO 27 HA PRO 27 -4.242 9.186 3.580 191 HB2 PRO 27 2HB PRO 27 -5.742 7.152 5.114 192 HB3 PRO 27 3HB PRO 27 -4.438 8.239 5.658 193 HG2 PRO 27 2HG PRO 27 -7.048 8.613 6.420 194 HG3 PRO 27 3HG PRO 27 -5.936 9.988 6.097 195 HD2 PRO 27 2HD PRO 27 -7.994 8.781 4.232 196 HD3 PRO 27 3HD PRO 27 -7.710 10.507 4.630 197 H VAL 28 H VAL 28 -3.350 7.888 2.099 198 HA VAL 28 HA VAL 28 -4.834 5.525 1.031 199 HB VAL 28 HB VAL 28 -2.976 7.235 -0.645 200 HG11 VAL 28 1HG1 VAL 28 -4.758 4.833 -1.286 201 HG12 VAL 28 2HG1 VAL 28 -3.884 5.801 -2.488 202 HG13 VAL 28 3HG1 VAL 28 -2.981 4.854 -1.303 203 HG21 VAL 28 3HG2 VAL 28 -5.053 8.469 -0.312 204 HG22 VAL 28 1HG2 VAL 28 -5.035 7.773 -1.936 205 HG23 VAL 28 2HG2 VAL 28 -6.016 7.015 -0.661 206 H LEU 29 H LEU 29 -3.924 3.744 1.641 207 HA LEU 29 HA LEU 29 -1.051 3.596 2.420 208 HB2 LEU 29 2HB LEU 29 -3.320 2.761 3.676 209 HB3 LEU 29 3HB LEU 29 -3.016 1.339 2.722 210 HG LEU 29 HG LEU 29 -0.925 2.556 4.561 211 HD11 LEU 29 1HD1 LEU 29 -1.603 0.987 6.255 212 HD12 LEU 29 2HD1 LEU 29 -2.846 0.281 5.186 213 HD13 LEU 29 3HD1 LEU 29 -3.007 1.942 5.800 214 HD21 LEU 29 3HD2 LEU 29 -1.178 -0.231 3.364 215 HD22 LEU 29 1HD2 LEU 29 0.075 0.318 4.501 216 HD23 LEU 29 2HD2 LEU 29 -0.001 1.016 2.886 217 H VAL 30 H VAL 30 0.406 2.738 0.987 218 HA VAL 30 HA VAL 30 -0.640 1.044 -1.256 219 HB VAL 30 HB VAL 30 1.757 2.877 -1.402 220 HG11 VAL 30 1HG1 VAL 30 0.195 1.322 -3.523 221 HG12 VAL 30 2HG1 VAL 30 1.565 2.413 -3.810 222 HG13 VAL 30 3HG1 VAL 30 1.822 0.913 -2.931 223 HG21 VAL 30 3HG2 VAL 30 -1.066 3.278 -2.490 224 HG22 VAL 30 1HG2 VAL 30 -0.262 4.273 -1.260 225 HG23 VAL 30 2HG2 VAL 30 0.351 4.260 -2.914 226 H ASP 31 H ASP 31 0.081 -0.945 -1.371 227 HA ASP 31 HA ASP 31 2.580 -1.701 0.084 228 HB2 ASP 31 2HB ASP 31 0.503 -2.843 0.760 229 HB3 ASP 31 3HB ASP 31 0.301 -3.447 -0.886 230 H PHE 32 H PHE 32 4.321 -1.782 -1.112 231 HA PHE 32 HA PHE 32 4.291 -2.484 -4.002 232 HB2 PHE 32 2HB PHE 32 6.424 -1.401 -2.136 233 HB3 PHE 32 3HB PHE 32 6.732 -1.929 -3.780 234 HD1 PHE 32 HD1 PHE 32 4.645 0.504 -1.791 235 HD2 PHE 32 HD2 PHE 32 6.524 -0.411 -5.567 236 HE1 PHE 32 HE1 PHE 32 4.001 2.737 -2.663 237 HE2 PHE 32 HE2 PHE 32 5.914 1.837 -6.404 238 HZ PHE 32 HZ PHE 32 4.612 3.396 -4.971 239 H TRP 33 H TRP 33 4.339 -4.594 -4.414 240 HA TRP 33 HA TRP 33 5.848 -6.473 -2.674 241 HB2 TRP 33 2HB TRP 33 3.979 -7.579 -1.904 242 HB3 TRP 33 3HB TRP 33 3.535 -5.906 -1.728 243 HD1 TRP 33 HD1 TRP 33 2.693 -5.961 -5.088 244 HE1 TRP 33 HE1 TRP 33 0.467 -6.951 -5.710 245 HE3 TRP 33 HE3 TRP 33 1.664 -8.258 -0.643 246 HZ2 TRP 33 HZ2 TRP 33 -1.526 -8.719 -4.439 247 HZ3 TRP 33 HZ3 TRP 33 -0.436 -9.517 -0.346 248 HH2 TRP 33 HH2 TRP 33 -2.048 -9.754 -2.216 249 H ALA 34 H ALA 34 5.426 -8.803 -3.351 250 HA ALA 34 HA ALA 34 4.763 -9.126 -6.219 251 HB1 ALA 34 3HB ALA 34 7.079 -10.540 -4.831 252 HB2 ALA 34 1HB ALA 34 6.516 -10.797 -6.493 253 HB3 ALA 34 2HB ALA 34 7.234 -9.241 -6.038 254 H THR 35 H THR 35 3.511 -10.951 -6.663 255 HA THR 35 HA THR 35 1.860 -11.820 -4.490 256 HB THR 35 HB THR 35 0.772 -13.246 -6.266 257 HG1 THR 35 HG1 THR 35 1.507 -12.928 -8.376 258 HG21 THR 35 3HG2 THR 35 -0.112 -11.360 -7.547 259 HG22 THR 35 1HG2 THR 35 1.247 -10.330 -7.047 260 HG23 THR 35 2HG2 THR 35 0.066 -10.897 -5.846 261 H TRP 36 H TRP 36 4.734 -13.255 -5.776 262 HA TRP 36 HA TRP 36 4.212 -15.909 -4.586 263 HB2 TRP 36 2HB TRP 36 6.472 -16.405 -5.536 264 HB3 TRP 36 3HB TRP 36 5.259 -15.921 -6.702 265 HD1 TRP 36 HD1 TRP 36 5.828 -14.038 -8.295 266 HE1 TRP 36 HE1 TRP 36 7.770 -12.390 -8.630 267 HE3 TRP 36 HE3 TRP 36 8.452 -14.973 -3.979 268 HZ2 TRP 36 HZ2 TRP 36 10.020 -11.431 -7.111 269 HZ3 TRP 36 HZ3 TRP 36 10.469 -13.634 -3.434 270 HH2 TRP 36 HH2 TRP 36 11.256 -11.856 -4.979 271 H CYS 37 H CYS 37 5.404 -12.949 -3.377 272 HA CYS 37 HA CYS 37 7.610 -14.022 -1.810 273 HB2 CYS 37 2HB CYS 37 8.141 -11.919 -2.316 274 HB3 CYS 37 3HB CYS 37 6.485 -11.411 -2.514 275 H GLY 38 H GLY 38 7.637 -14.792 0.209 276 HA2 GLY 38 2HA GLY 38 5.387 -15.768 1.511 277 HA3 GLY 38 3HA GLY 38 6.957 -15.528 2.277 278 HA PRO 39 HA PRO 39 5.254 -12.284 4.779 279 HB2 PRO 39 2HB PRO 39 6.806 -10.028 4.561 280 HB3 PRO 39 3HB PRO 39 7.307 -11.522 5.400 281 HG2 PRO 39 2HG PRO 39 7.969 -10.682 2.564 282 HG3 PRO 39 3HG PRO 39 9.081 -11.298 3.825 283 HD2 PRO 39 2HD PRO 39 8.080 -12.923 1.913 284 HD3 PRO 39 3HD PRO 39 8.267 -13.509 3.589 285 H CYS 40 H CYS 40 5.489 -11.522 1.356 286 HA CYS 40 HA CYS 40 3.652 -9.275 1.379 287 HB2 CYS 40 2HB CYS 40 4.286 -11.156 -0.918 288 HB3 CYS 40 3HB CYS 40 3.575 -9.569 -0.999 289 H LYS 41 H LYS 41 3.292 -12.808 0.696 290 HA LYS 41 HA LYS 41 0.407 -12.775 0.535 291 HB2 LYS 41 2HB LYS 41 2.360 -15.014 1.218 292 HB3 LYS 41 3HB LYS 41 0.619 -15.226 0.992 293 HG2 LYS 41 2HG LYS 41 0.843 -14.259 -1.334 294 HG3 LYS 41 3HG LYS 41 2.589 -14.204 -1.103 295 HD2 LYS 41 2HD LYS 41 2.163 -16.190 -2.321 296 HD3 LYS 41 3HD LYS 41 2.530 -16.715 -0.673 297 HE2 LYS 41 2HE LYS 41 0.088 -16.919 -0.207 298 HE3 LYS 41 3HE LYS 41 -0.274 -16.325 -1.831 299 HZ1 LYS 41 3HZ LYS 41 1.184 -18.848 -1.228 300 HZ2 LYS 41 1HZ LYS 41 0.841 -18.300 -2.730 301 HZ3 LYS 41 2HZ LYS 41 -0.365 -18.753 -1.730 302 H MET 42 H MET 42 2.602 -13.051 3.322 303 HA MET 42 HA MET 42 0.654 -13.605 5.303 304 HB2 MET 42 2HB MET 42 3.130 -13.659 5.599 305 HB3 MET 42 3HB MET 42 3.146 -11.888 5.593 306 HG2 MET 42 2HG MET 42 1.725 -11.844 7.595 307 HG3 MET 42 3HG MET 42 1.659 -13.613 7.598 308 HE1 MET 42 3HE MET 42 2.496 -11.677 10.056 309 HE2 MET 42 1HE MET 42 2.360 -13.447 10.182 310 HE3 MET 42 2HE MET 42 3.830 -12.624 10.752 311 H VAL 43 H VAL 43 1.460 -10.407 3.822 312 HA VAL 43 HA VAL 43 -0.483 -9.088 5.606 313 HB VAL 43 HB VAL 43 0.117 -7.007 4.510 314 HG11 VAL 43 1HG1 VAL 43 1.261 -7.800 6.519 315 HG12 VAL 43 2HG1 VAL 43 2.505 -8.585 5.513 316 HG13 VAL 43 3HG1 VAL 43 2.323 -6.812 5.490 317 HG21 VAL 43 3HG2 VAL 43 0.813 -7.862 2.268 318 HG22 VAL 43 1HG2 VAL 43 1.997 -6.787 3.022 319 HG23 VAL 43 2HG2 VAL 43 2.272 -8.534 3.026 320 H ALA 44 H ALA 44 -0.758 -10.669 2.577 321 HA ALA 44 HA ALA 44 -2.654 -9.159 1.233 322 HB1 ALA 44 3HB ALA 44 -3.369 -11.230 0.187 323 HB2 ALA 44 1HB ALA 44 -1.609 -11.238 0.385 324 HB3 ALA 44 2HB ALA 44 -2.621 -12.194 1.471 325 HA PRO 45 HA PRO 45 -6.368 -10.857 3.757 326 HB2 PRO 45 2HB PRO 45 -5.990 -11.909 6.265 327 HB3 PRO 45 3HB PRO 45 -6.008 -12.890 4.769 328 HG2 PRO 45 2HG PRO 45 -3.590 -11.802 6.249 329 HG3 PRO 45 3HG PRO 45 -3.871 -13.474 5.665 330 HD2 PRO 45 2HD PRO 45 -2.406 -11.742 4.231 331 HD3 PRO 45 3HD PRO 45 -3.546 -12.844 3.413 332 H VAL 46 H VAL 46 -3.597 -9.483 5.567 333 HA VAL 46 HA VAL 46 -5.193 -7.905 7.381 334 HB VAL 46 HB VAL 46 -2.290 -7.643 6.474 335 HG11 VAL 46 1HG1 VAL 46 -1.919 -6.284 8.505 336 HG12 VAL 46 2HG1 VAL 46 -2.958 -5.484 7.324 337 HG13 VAL 46 3HG1 VAL 46 -3.681 -6.235 8.750 338 HG21 VAL 46 3HG2 VAL 46 -1.751 -8.667 8.641 339 HG22 VAL 46 1HG2 VAL 46 -3.482 -8.849 9.001 340 HG23 VAL 46 2HG2 VAL 46 -2.740 -9.745 7.663 341 H LEU 47 H LEU 47 -3.506 -7.020 4.317 342 HA LEU 47 HA LEU 47 -4.530 -4.322 4.291 343 HB2 LEU 47 2HB LEU 47 -3.618 -4.147 2.092 344 HB3 LEU 47 3HB LEU 47 -2.502 -4.968 3.156 345 HG LEU 47 HG LEU 47 -3.543 -7.143 2.021 346 HD11 LEU 47 1HD1 LEU 47 -5.180 -5.934 0.573 347 HD12 LEU 47 2HD1 LEU 47 -3.976 -6.813 -0.368 348 HD13 LEU 47 3HD1 LEU 47 -3.825 -5.052 -0.173 349 HD21 LEU 47 3HD2 LEU 47 -1.176 -6.472 1.954 350 HD22 LEU 47 1HD2 LEU 47 -1.529 -5.315 0.658 351 HD23 LEU 47 2HD2 LEU 47 -1.705 -7.058 0.374 352 H GLU 48 H GLU 48 -5.775 -7.372 2.786 353 HA GLU 48 HA GLU 48 -8.040 -6.167 1.540 354 HB2 GLU 48 2HB GLU 48 -7.241 -8.491 1.181 355 HB3 GLU 48 3HB GLU 48 -7.823 -8.940 2.787 356 HG2 GLU 48 2HG GLU 48 -10.138 -8.373 2.101 357 HG3 GLU 48 3HG GLU 48 -9.550 -7.845 0.523 358 H GLU 49 H GLU 49 -7.701 -7.473 4.891 359 HA GLU 49 HA GLU 49 -10.438 -6.999 5.511 360 HB2 GLU 49 2HB GLU 49 -8.002 -7.576 7.225 361 HB3 GLU 49 3HB GLU 49 -9.578 -7.235 7.944 362 HG2 GLU 49 2HG GLU 49 -10.618 -9.060 6.716 363 HG3 GLU 49 3HG GLU 49 -9.121 -9.454 5.901 364 H ILE 50 H ILE 50 -7.531 -4.984 6.400 365 HA ILE 50 HA ILE 50 -9.123 -2.978 7.731 366 HB ILE 50 HB ILE 50 -6.487 -2.667 6.266 367 HG12 ILE 50 2HG1 ILE 50 -6.215 -4.232 8.131 368 HG13 ILE 50 3HG1 ILE 50 -5.452 -2.708 8.536 369 HG21 ILE 50 1HG2 ILE 50 -6.180 -0.624 7.715 370 HG22 ILE 50 2HG2 ILE 50 -7.412 -0.468 6.468 371 HG23 ILE 50 3HG2 ILE 50 -7.900 -0.742 8.149 372 HD11 ILE 50 3HD1 ILE 50 -7.487 -2.127 9.932 373 HD12 ILE 50 1HD1 ILE 50 -8.102 -3.765 9.604 374 HD13 ILE 50 2HD1 ILE 50 -6.582 -3.540 10.483 375 H ALA 51 H ALA 51 -8.175 -3.334 4.263 376 HA ALA 51 HA ALA 51 -9.319 -0.799 3.529 377 HB1 ALA 51 3HB ALA 51 -8.838 -3.249 1.805 378 HB2 ALA 51 1HB ALA 51 -8.866 -1.528 1.299 379 HB3 ALA 51 2HB ALA 51 -7.572 -2.147 2.347 380 H THR 52 H THR 52 -10.740 -4.070 3.765 381 HA THR 52 HA THR 52 -13.230 -3.339 2.424 382 HB THR 52 HB THR 52 -12.620 -5.653 4.307 383 HG1 THR 52 HG1 THR 52 -11.384 -5.825 2.528 384 HG21 THR 52 3HG2 THR 52 -14.539 -6.751 3.146 385 HG22 THR 52 1HG2 THR 52 -14.913 -5.209 2.343 386 HG23 THR 52 2HG2 THR 52 -15.045 -5.360 4.111 387 H GLU 53 H GLU 53 -12.008 -3.379 5.806 388 HA GLU 53 HA GLU 53 -14.676 -2.911 6.933 389 HB2 GLU 53 2HB GLU 53 -11.883 -3.053 8.109 390 HB3 GLU 53 3HB GLU 53 -13.320 -2.785 9.085 391 HG2 GLU 53 2HG GLU 53 -13.162 -5.198 7.234 392 HG3 GLU 53 3HG GLU 53 -12.385 -5.209 8.803 393 H ARG 54 H ARG 54 -11.847 -0.886 6.287 394 HA ARG 54 HA ARG 54 -13.182 1.483 7.547 395 HB2 ARG 54 2HB ARG 54 -10.221 0.935 7.185 396 HB3 ARG 54 3HB ARG 54 -10.942 2.285 8.054 397 HG2 ARG 54 2HG ARG 54 -11.004 -0.647 8.857 398 HG3 ARG 54 3HG ARG 54 -10.086 0.643 9.617 399 HD2 ARG 54 2HD ARG 54 -13.130 0.450 9.568 400 HD3 ARG 54 3HD ARG 54 -12.102 -0.015 10.908 401 HE ARG 54 HE ARG 54 -12.530 2.791 9.896 402 HH11 ARG 54 1HH2 ARG 54 -11.413 0.787 12.597 403 HH12 ARG 54 2HH2 ARG 54 -11.271 2.225 13.602 404 HH21 ARG 54 1HH1 ARG 54 -12.363 4.384 11.221 405 HH22 ARG 54 2HH1 ARG 54 -11.774 4.160 12.888 406 H ALA 55 H ALA 55 -13.484 0.599 4.711 407 HA ALA 55 HA ALA 55 -12.096 2.147 2.878 408 HB1 ALA 55 3HB ALA 55 -14.043 1.785 1.419 409 HB2 ALA 55 1HB ALA 55 -13.690 0.328 2.362 410 HB3 ALA 55 2HB ALA 55 -15.047 1.376 2.827 411 H THR 56 H THR 56 -14.622 3.326 5.051 412 HA THR 56 HA THR 56 -15.021 5.882 3.689 413 HB THR 56 HB THR 56 -16.319 6.404 5.802 414 HG1 THR 56 HG1 THR 56 -16.717 4.651 7.163 415 HG21 THR 56 3HG2 THR 56 -17.093 3.815 4.378 416 HG22 THR 56 1HG2 THR 56 -17.416 5.458 3.784 417 HG23 THR 56 2HG2 THR 56 -18.176 4.897 5.282 418 H ASP 57 H ASP 57 -12.675 4.694 5.923 419 HA ASP 57 HA ASP 57 -11.919 7.436 6.852 420 HB2 ASP 57 2HB ASP 57 -11.025 4.677 7.764 421 HB3 ASP 57 3HB ASP 57 -10.410 6.199 8.392 422 H LEU 58 H LEU 58 -10.607 4.556 5.157 423 HA LEU 58 HA LEU 58 -8.667 6.255 3.769 424 HB2 LEU 58 2HB LEU 58 -6.698 5.182 4.426 425 HB3 LEU 58 3HB LEU 58 -7.525 5.691 5.868 426 HG LEU 58 HG LEU 58 -6.401 3.690 6.272 427 HD11 LEU 58 1HD1 LEU 58 -9.282 2.848 6.025 428 HD12 LEU 58 2HD1 LEU 58 -8.645 3.881 7.326 429 HD13 LEU 58 3HD1 LEU 58 -8.061 2.215 7.147 430 HD21 LEU 58 3HD2 LEU 58 -6.239 2.826 3.957 431 HD22 LEU 58 1HD2 LEU 58 -7.881 2.155 4.145 432 HD23 LEU 58 2HD2 LEU 58 -6.575 1.616 5.202 433 H THR 59 H THR 59 -7.472 5.209 2.092 434 HA THR 59 HA THR 59 -8.877 2.850 0.857 435 HB THR 59 HB THR 59 -7.305 5.084 -0.475 436 HG1 THR 59 HG1 THR 59 -9.480 5.485 0.280 437 HG21 THR 59 3HG2 THR 59 -6.989 3.043 -1.789 438 HG22 THR 59 1HG2 THR 59 -8.152 4.090 -2.605 439 HG23 THR 59 2HG2 THR 59 -8.731 2.677 -1.697 440 H VAL 60 H VAL 60 -7.633 1.062 0.269 441 HA VAL 60 HA VAL 60 -4.683 1.303 0.616 442 HB VAL 60 HB VAL 60 -6.165 -1.250 1.069 443 HG11 VAL 60 1HG1 VAL 60 -3.992 -1.947 2.115 444 HG12 VAL 60 2HG1 VAL 60 -3.919 -1.694 0.368 445 HG13 VAL 60 3HG1 VAL 60 -3.264 -0.471 1.469 446 HG21 VAL 60 3HG2 VAL 60 -6.774 0.195 2.917 447 HG22 VAL 60 1HG2 VAL 60 -5.598 -0.986 3.490 448 HG23 VAL 60 2HG2 VAL 60 -5.086 0.682 3.151 449 H ALA 61 H ALA 61 -3.474 0.751 -1.020 450 HA ALA 61 HA ALA 61 -4.618 -0.574 -3.433 451 HB1 ALA 61 3HB ALA 61 -4.479 1.917 -3.687 452 HB2 ALA 61 1HB ALA 61 -2.746 1.835 -3.329 453 HB3 ALA 61 2HB ALA 61 -3.384 1.060 -4.793 454 H LYS 62 H LYS 62 -2.977 -1.565 -4.821 455 HA LYS 62 HA LYS 62 -0.344 -2.078 -3.511 456 HB2 LYS 62 2HB LYS 62 -0.432 -4.447 -4.010 457 HB3 LYS 62 3HB LYS 62 -1.734 -3.931 -2.940 458 HG2 LYS 62 2HG LYS 62 -3.163 -3.777 -5.145 459 HG3 LYS 62 3HG LYS 62 -1.897 -4.772 -5.856 460 HD2 LYS 62 2HD LYS 62 -2.273 -6.512 -4.222 461 HD3 LYS 62 3HD LYS 62 -3.373 -5.511 -3.278 462 HE2 LYS 62 2HE LYS 62 -3.910 -6.346 -6.160 463 HE3 LYS 62 3HE LYS 62 -4.476 -7.258 -4.757 464 HZ1 LYS 62 3HZ LYS 62 -5.175 -4.401 -5.210 465 HZ2 LYS 62 1HZ LYS 62 -5.746 -5.368 -4.032 466 HZ3 LYS 62 2HZ LYS 62 -6.168 -5.667 -5.576 467 H LEU 63 H LEU 63 1.383 -2.429 -4.673 468 HA LEU 63 HA LEU 63 1.277 -1.907 -7.614 469 HB2 LEU 63 2HB LEU 63 2.116 0.014 -6.194 470 HB3 LEU 63 3HB LEU 63 3.441 -1.001 -5.677 471 HG LEU 63 HG LEU 63 4.079 0.587 -7.380 472 HD11 LEU 63 1HD1 LEU 63 5.379 -0.720 -8.830 473 HD12 LEU 63 2HD1 LEU 63 4.255 -2.072 -8.787 474 HD13 LEU 63 3HD1 LEU 63 5.208 -1.668 -7.345 475 HD21 LEU 63 3HD2 LEU 63 1.896 0.729 -8.545 476 HD22 LEU 63 1HD2 LEU 63 2.301 -0.787 -9.383 477 HD23 LEU 63 2HD2 LEU 63 3.300 0.676 -9.587 478 H ASP 64 H ASP 64 2.144 -3.445 -8.791 479 HA ASP 64 HA ASP 64 3.241 -5.853 -7.412 480 HB2 ASP 64 2HB ASP 64 2.039 -5.438 -10.164 481 HB3 ASP 64 3HB ASP 64 2.832 -6.928 -9.655 482 H VAL 65 H VAL 65 5.402 -5.321 -7.044 483 HA VAL 65 HA VAL 65 7.032 -3.981 -8.984 484 HB VAL 65 HB VAL 65 8.870 -4.235 -7.568 485 HG11 VAL 65 1HG1 VAL 65 8.068 -3.451 -5.418 486 HG12 VAL 65 2HG1 VAL 65 7.101 -2.747 -6.718 487 HG13 VAL 65 3HG1 VAL 65 6.445 -4.078 -5.742 488 HG21 VAL 65 3HG2 VAL 65 9.005 -5.687 -5.611 489 HG22 VAL 65 1HG2 VAL 65 7.455 -6.440 -6.032 490 HG23 VAL 65 2HG2 VAL 65 8.867 -6.637 -7.086 491 H ASP 66 H ASP 66 6.202 -7.284 -8.691 492 HA ASP 66 HA ASP 66 8.345 -8.568 -10.075 493 HB2 ASP 66 2HB ASP 66 6.601 -9.655 -8.673 494 HB3 ASP 66 3HB ASP 66 5.383 -9.264 -9.886 495 H THR 67 H THR 67 5.644 -6.651 -11.278 496 HA THR 67 HA THR 67 6.468 -7.236 -14.107 497 HB THR 67 HB THR 67 4.298 -8.245 -13.489 498 HG1 THR 67 HG1 THR 67 3.284 -7.531 -15.338 499 HG21 THR 67 3HG2 THR 67 3.265 -5.376 -13.338 500 HG22 THR 67 1HG2 THR 67 3.420 -6.492 -11.965 501 HG23 THR 67 2HG2 THR 67 2.300 -6.865 -13.277 502 H ASN 68 H ASN 68 5.730 -4.736 -11.754 503 HA ASN 68 HA ASN 68 6.458 -2.649 -13.776 504 HB2 ASN 68 2HB ASN 68 4.145 -2.460 -13.085 505 HB3 ASN 68 3HB ASN 68 4.615 -2.488 -11.381 506 HD21 ASN 68 1HD2 ASN 68 3.293 -0.446 -11.547 507 HD22 ASN 68 2HD2 ASN 68 4.269 1.009 -11.749 508 HA PRO 69 HA PRO 69 9.850 -2.391 -10.680 509 HB2 PRO 69 2HB PRO 69 11.936 -2.079 -12.388 510 HB3 PRO 69 3HB PRO 69 11.210 -3.682 -12.056 511 HG2 PRO 69 2HG PRO 69 10.630 -1.829 -14.394 512 HG3 PRO 69 3HG PRO 69 11.037 -3.575 -14.444 513 HD2 PRO 69 2HD PRO 69 8.463 -2.665 -14.517 514 HD3 PRO 69 3HD PRO 69 8.895 -4.191 -13.688 515 H GLU 70 H GLU 70 8.428 -0.283 -13.072 516 HA GLU 70 HA GLU 70 10.377 1.852 -12.827 517 HB2 GLU 70 2HB GLU 70 7.612 1.965 -14.078 518 HB3 GLU 70 3HB GLU 70 8.956 3.093 -14.296 519 HG2 GLU 70 2HG GLU 70 10.168 0.717 -15.001 520 HG3 GLU 70 3HG GLU 70 8.514 0.383 -15.486 521 H THR 71 H THR 71 7.075 1.357 -11.483 522 HA THR 71 HA THR 71 7.311 3.738 -9.806 523 HB THR 71 HB THR 71 5.462 1.570 -9.079 524 HG1 THR 71 HG1 THR 71 5.298 3.282 -11.314 525 HG21 THR 71 3HG2 THR 71 3.947 3.445 -8.639 526 HG22 THR 71 1HG2 THR 71 5.157 4.595 -9.249 527 HG23 THR 71 2HG2 THR 71 5.469 3.668 -7.767 528 H ALA 72 H ALA 72 8.276 0.355 -9.481 529 HA ALA 72 HA ALA 72 8.695 0.355 -6.650 530 HB1 ALA 72 3HB ALA 72 9.940 -1.665 -7.041 531 HB2 ALA 72 1HB ALA 72 8.584 -1.655 -8.184 532 HB3 ALA 72 2HB ALA 72 10.222 -1.249 -8.736 533 H ARG 73 H ARG 73 10.940 1.242 -9.358 534 HA ARG 73 HA ARG 73 13.005 2.135 -7.502 535 HB2 ARG 73 2HB ARG 73 14.187 3.008 -9.352 536 HB3 ARG 73 3HB ARG 73 13.551 1.428 -9.799 537 HG2 ARG 73 2HG ARG 73 11.822 2.449 -11.171 538 HG3 ARG 73 3HG ARG 73 12.249 4.070 -10.604 539 HD2 ARG 73 2HD ARG 73 14.537 3.741 -11.609 540 HD3 ARG 73 3HD ARG 73 13.959 2.237 -12.327 541 HE ARG 73 HE ARG 73 13.084 5.026 -12.965 542 HH11 ARG 73 1HH2 ARG 73 12.909 1.636 -13.968 543 HH12 ARG 73 2HH2 ARG 73 11.945 2.096 -15.376 544 HH21 ARG 73 1HH1 ARG 73 11.884 5.390 -14.842 545 HH22 ARG 73 2HH1 ARG 73 11.412 3.988 -15.803 546 H ASN 74 H ASN 74 10.149 3.711 -8.791 547 HA ASN 74 HA ASN 74 10.843 6.407 -8.371 548 HB2 ASN 74 2HB ASN 74 8.691 5.329 -9.459 549 HB3 ASN 74 3HB ASN 74 8.054 5.320 -7.830 550 HD21 ASN 74 1HD2 ASN 74 7.347 7.287 -6.880 551 HD22 ASN 74 2HD2 ASN 74 7.422 8.799 -7.767 552 H PHE 75 H PHE 75 9.497 4.063 -6.060 553 HA PHE 75 HA PHE 75 9.912 5.972 -3.808 554 HB2 PHE 75 2HB PHE 75 8.074 3.578 -4.028 555 HB3 PHE 75 3HB PHE 75 8.271 4.582 -2.595 556 HD1 PHE 75 HD2 PHE 75 7.679 7.048 -2.673 557 HD2 PHE 75 HD1 PHE 75 6.684 4.332 -5.862 558 HE1 PHE 75 HE2 PHE 75 6.038 8.690 -3.558 559 HE2 PHE 75 HE1 PHE 75 5.003 5.956 -6.722 560 HZ PHE 75 HZ PHE 75 4.692 8.142 -5.577 561 H GLN 76 H GLN 76 11.903 4.044 -5.155 562 HA GLN 76 HA GLN 76 13.636 2.730 -4.609 563 HB2 GLN 76 2HB GLN 76 14.059 4.972 -3.532 564 HB3 GLN 76 3HB GLN 76 13.637 4.237 -1.980 565 HG2 GLN 76 2HG GLN 76 15.496 2.574 -2.314 566 HG3 GLN 76 3HG GLN 76 15.869 3.327 -3.864 567 HE21 GLN 76 1HE2 GLN 76 18.028 3.273 -2.419 568 HE22 GLN 76 2HE2 GLN 76 18.326 4.790 -1.581 569 H VAL 77 H VAL 77 11.743 1.043 -4.523 570 HA VAL 77 HA VAL 77 11.538 -0.520 -2.072 571 HB VAL 77 HB VAL 77 11.108 -1.335 -4.963 572 HG11 VAL 77 1HG1 VAL 77 10.343 -2.719 -2.346 573 HG12 VAL 77 2HG1 VAL 77 9.790 -3.206 -3.957 574 HG13 VAL 77 3HG1 VAL 77 11.499 -3.320 -3.560 575 HG21 VAL 77 3HG2 VAL 77 9.077 -0.598 -2.803 576 HG22 VAL 77 1HG2 VAL 77 9.521 0.448 -4.162 577 HG23 VAL 77 2HG2 VAL 77 8.733 -1.095 -4.477 578 H VAL 78 H VAL 78 12.879 -2.048 -1.341 579 HA VAL 78 HA VAL 78 15.180 -2.991 -2.963 580 HB VAL 78 HB VAL 78 16.011 -1.043 -1.775 581 HG11 VAL 78 1HG1 VAL 78 16.290 -0.943 0.625 582 HG12 VAL 78 2HG1 VAL 78 14.571 -1.067 0.249 583 HG13 VAL 78 3HG1 VAL 78 15.462 -2.491 0.847 584 HG21 VAL 78 3HG2 VAL 78 17.188 -3.603 -0.632 585 HG22 VAL 78 1HG2 VAL 78 17.518 -2.941 -2.250 586 HG23 VAL 78 2HG2 VAL 78 17.997 -2.034 -0.806 587 H SER 79 H SER 79 13.337 -3.354 0.067 588 HA SER 79 HA SER 79 13.303 -6.290 -0.431 589 HB2 SER 79 2HB SER 79 13.284 -4.903 2.274 590 HB3 SER 79 3HB SER 79 12.943 -6.621 2.001 591 HG SER 79 HG SER 79 15.141 -6.239 2.574 592 H ILE 80 H ILE 80 11.292 -7.306 0.150 593 HA ILE 80 HA ILE 80 8.945 -5.493 0.152 594 HB ILE 80 HB ILE 80 7.785 -7.136 -1.341 595 HG12 ILE 80 2HG1 ILE 80 10.595 -8.116 -2.009 596 HG13 ILE 80 3HG1 ILE 80 9.416 -9.027 -1.065 597 HG21 ILE 80 1HG2 ILE 80 8.564 -6.057 -3.338 598 HG22 ILE 80 2HG2 ILE 80 8.683 -4.893 -2.023 599 HG23 ILE 80 3HG2 ILE 80 10.148 -5.706 -2.610 600 HD11 ILE 80 3HD1 ILE 80 9.385 -9.830 -3.339 601 HD12 ILE 80 1HD1 ILE 80 7.857 -8.988 -3.020 602 HD13 ILE 80 2HD1 ILE 80 9.131 -8.201 -3.983 603 HA PRO 81 HA PRO 81 6.550 -5.928 0.108 604 HB2 PRO 81 2HB PRO 81 4.666 -5.441 1.997 605 HB3 PRO 81 3HB PRO 81 4.714 -6.965 1.058 606 HG2 PRO 81 2HG PRO 81 5.805 -6.426 3.839 607 HG3 PRO 81 3HG PRO 81 4.763 -7.781 3.310 608 HD2 PRO 81 2HD PRO 81 7.480 -8.023 3.494 609 HD3 PRO 81 3HD PRO 81 6.554 -8.846 2.205 610 H THR 82 H THR 82 6.642 -3.738 -0.025 611 HA THR 82 HA THR 82 7.714 -2.114 2.274 612 HB THR 82 HB THR 82 7.985 -1.842 -0.707 613 HG1 THR 82 HG1 THR 82 9.741 -2.512 0.486 614 HG21 THR 82 3HG2 THR 82 6.969 0.307 -0.278 615 HG22 THR 82 1HG2 THR 82 8.704 0.550 -0.373 616 HG23 THR 82 2HG2 THR 82 7.896 0.511 1.221 617 H LEU 83 H LEU 83 6.097 -1.211 3.413 618 HA LEU 83 HA LEU 83 3.540 -0.511 2.025 619 HB2 LEU 83 2HB LEU 83 4.029 -1.028 4.982 620 HB3 LEU 83 3HB LEU 83 2.543 -0.430 4.256 621 HG LEU 83 HG LEU 83 2.605 -2.619 2.807 622 HD11 LEU 83 1HD1 LEU 83 4.321 -3.452 5.204 623 HD12 LEU 83 2HD1 LEU 83 4.826 -3.482 3.504 624 HD13 LEU 83 3HD1 LEU 83 3.551 -4.563 4.053 625 HD21 LEU 83 3HD2 LEU 83 1.990 -2.674 5.789 626 HD22 LEU 83 1HD2 LEU 83 1.365 -3.817 4.577 627 HD23 LEU 83 2HD2 LEU 83 0.903 -2.114 4.497 628 H ILE 84 H ILE 84 3.082 1.585 1.755 629 HA ILE 84 HA ILE 84 4.436 3.608 3.455 630 HB ILE 84 HB ILE 84 5.782 3.193 1.462 631 HG12 ILE 84 2HG1 ILE 84 5.769 5.380 2.652 632 HG13 ILE 84 3HG1 ILE 84 6.412 5.351 1.028 633 HG21 ILE 84 1HG2 ILE 84 5.114 3.966 -0.758 634 HG22 ILE 84 2HG2 ILE 84 4.114 2.618 -0.192 635 HG23 ILE 84 3HG2 ILE 84 3.467 4.268 -0.169 636 HD11 ILE 84 3HD1 ILE 84 3.632 6.408 1.687 637 HD12 ILE 84 1HD1 ILE 84 5.098 7.382 1.536 638 HD13 ILE 84 2HD1 ILE 84 4.491 6.493 0.134 639 H LEU 85 H LEU 85 3.180 5.124 4.173 640 HA LEU 85 HA LEU 85 0.347 5.198 3.220 641 HB2 LEU 85 2HB LEU 85 0.643 4.405 5.486 642 HB3 LEU 85 3HB LEU 85 1.612 5.816 5.896 643 HG LEU 85 HG LEU 85 -0.335 7.290 5.670 644 HD11 LEU 85 1HD1 LEU 85 -1.920 4.750 5.066 645 HD12 LEU 85 2HD1 LEU 85 -1.651 6.111 3.953 646 HD13 LEU 85 3HD1 LEU 85 -2.609 6.354 5.406 647 HD21 LEU 85 3HD2 LEU 85 -0.937 4.830 7.372 648 HD22 LEU 85 1HD2 LEU 85 -1.577 6.473 7.611 649 HD23 LEU 85 2HD2 LEU 85 0.150 6.154 7.829 650 H PHE 86 H PHE 86 -0.258 6.834 2.082 651 HA PHE 86 HA PHE 86 1.029 9.508 2.282 652 HB2 PHE 86 2HB PHE 86 -0.962 8.409 0.260 653 HB3 PHE 86 3HB PHE 86 -0.234 9.999 0.218 654 HD1 PHE 86 HD2 PHE 86 0.455 6.355 -0.179 655 HD2 PHE 86 HD1 PHE 86 1.914 10.363 -0.801 656 HE1 PHE 86 HE2 PHE 86 2.214 5.485 -1.693 657 HE2 PHE 86 HE1 PHE 86 3.698 9.482 -2.279 658 HZ PHE 86 HZ PHE 86 3.839 7.038 -2.740 659 H LYS 87 H LYS 87 -0.323 11.362 2.536 660 HA LYS 87 HA LYS 87 -3.221 10.980 3.056 661 HB2 LYS 87 2HB LYS 87 -1.947 11.203 5.262 662 HB3 LYS 87 3HB LYS 87 -1.499 12.834 4.747 663 HG2 LYS 87 2HG LYS 87 -4.025 13.300 4.509 664 HG3 LYS 87 3HG LYS 87 -4.288 11.716 5.263 665 HD2 LYS 87 2HD LYS 87 -2.823 12.568 7.206 666 HD3 LYS 87 3HD LYS 87 -2.917 14.165 6.457 667 HE2 LYS 87 2HE LYS 87 -5.390 14.095 6.617 668 HE3 LYS 87 3HE LYS 87 -5.305 12.466 7.315 669 HZ1 LYS 87 3HZ LYS 87 -5.539 14.265 8.993 670 HZ2 LYS 87 1HZ LYS 87 -4.058 14.831 8.601 671 HZ3 LYS 87 2HZ LYS 87 -4.230 13.322 9.241 672 H ASP 88 H ASP 88 -4.366 12.295 1.780 673 HA ASP 88 HA ASP 88 -4.858 13.798 0.168 674 HB2 ASP 88 2HB ASP 88 -4.718 15.269 2.162 675 HB3 ASP 88 3HB ASP 88 -3.068 15.691 1.716 676 H GLY 89 H GLY 89 -2.750 11.990 -0.464 677 HA2 GLY 89 2HA GLY 89 -1.402 11.520 -2.227 678 HA3 GLY 89 3HA GLY 89 -1.628 13.150 -2.858 679 H GLN 90 H GLN 90 -0.439 13.234 0.371 680 HA GLN 90 HA GLN 90 2.367 13.534 -0.585 681 HB2 GLN 90 2HB GLN 90 0.941 14.851 1.751 682 HB3 GLN 90 3HB GLN 90 2.665 15.011 1.393 683 HG2 GLN 90 2HG GLN 90 2.155 16.046 -0.787 684 HG3 GLN 90 3HG GLN 90 0.422 15.863 -0.497 685 HE21 GLN 90 1HE2 GLN 90 -0.596 17.177 1.206 686 HE22 GLN 90 2HE2 GLN 90 0.219 18.633 1.761 687 HA PRO 91 HA PRO 91 3.130 9.912 1.877 688 HB2 PRO 91 2HB PRO 91 5.853 9.885 2.051 689 HB3 PRO 91 3HB PRO 91 4.957 9.565 0.533 690 HG2 PRO 91 2HG PRO 91 6.196 12.185 1.433 691 HG3 PRO 91 3HG PRO 91 6.370 11.363 -0.151 692 HD2 PRO 91 2HD PRO 91 4.565 13.362 0.230 693 HD3 PRO 91 3HD PRO 91 4.177 11.952 -0.804 694 H VAL 92 H VAL 92 3.162 9.378 4.008 695 HA VAL 92 HA VAL 92 4.038 11.437 6.000 696 HB VAL 92 HB VAL 92 2.097 9.202 6.668 697 HG11 VAL 92 1HG1 VAL 92 3.132 10.419 8.531 698 HG12 VAL 92 2HG1 VAL 92 2.633 11.969 7.820 699 HG13 VAL 92 3HG1 VAL 92 1.416 10.819 8.400 700 HG21 VAL 92 3HG2 VAL 92 1.396 11.961 5.558 701 HG22 VAL 92 1HG2 VAL 92 1.011 10.394 4.812 702 HG23 VAL 92 2HG2 VAL 92 0.256 10.842 6.340 703 H LYS 93 H LYS 93 4.031 7.899 5.389 704 HA LYS 93 HA LYS 93 6.585 7.565 6.798 705 HB2 LYS 93 2HB LYS 93 5.714 5.989 8.482 706 HB3 LYS 93 3HB LYS 93 5.063 7.611 8.684 707 HG2 LYS 93 2HG LYS 93 2.944 6.858 7.513 708 HG3 LYS 93 3HG LYS 93 3.621 5.226 7.419 709 HD2 LYS 93 2HD LYS 93 2.096 5.337 9.272 710 HD3 LYS 93 3HD LYS 93 3.741 5.163 9.910 711 HE2 LYS 93 2HE LYS 93 3.836 7.612 10.341 712 HE3 LYS 93 3HE LYS 93 2.222 7.808 9.641 713 HZ1 LYS 93 3HZ LYS 93 1.336 6.437 11.411 714 HZ2 LYS 93 1HZ LYS 93 2.185 7.690 12.075 715 HZ3 LYS 93 2HZ LYS 93 2.842 6.195 12.053 716 H ARG 94 H ARG 94 7.543 5.560 6.573 717 HA ARG 94 HA ARG 94 6.295 3.529 4.774 718 HB2 ARG 94 2HB ARG 94 7.912 4.880 3.462 719 HB3 ARG 94 3HB ARG 94 9.166 4.547 4.659 720 HG2 ARG 94 2HG ARG 94 9.015 2.108 4.132 721 HG3 ARG 94 3HG ARG 94 7.772 2.461 2.913 722 HD2 ARG 94 2HD ARG 94 9.384 3.802 1.641 723 HD3 ARG 94 3HD ARG 94 10.599 3.601 2.923 724 HE ARG 94 HE ARG 94 9.746 1.019 2.039 725 HH11 ARG 94 1HH1 ARG 94 11.706 3.673 0.835 726 HH12 ARG 94 2HH1 ARG 94 12.557 2.609 -0.264 727 HH21 ARG 94 1HH2 ARG 94 10.878 -0.217 0.570 728 HH22 ARG 94 2HH2 ARG 94 12.199 0.560 -0.317 729 H ILE 95 H ILE 95 6.522 1.486 5.392 730 HA ILE 95 HA ILE 95 8.653 0.679 7.311 731 HB ILE 95 HB ILE 95 5.758 -0.247 7.448 732 HG12 ILE 95 2HG1 ILE 95 6.095 1.955 8.543 733 HG13 ILE 95 3HG1 ILE 95 5.640 0.686 9.651 734 HG21 ILE 95 1HG2 ILE 95 8.223 -1.255 8.919 735 HG22 ILE 95 2HG2 ILE 95 6.574 -1.544 9.486 736 HG23 ILE 95 3HG2 ILE 95 7.074 -2.179 7.921 737 HD11 ILE 95 3HD1 ILE 95 8.498 1.699 9.341 738 HD12 ILE 95 1HD1 ILE 95 7.351 2.198 10.593 739 HD13 ILE 95 2HD1 ILE 95 7.911 0.522 10.535 740 H VAL 96 H VAL 96 9.520 -1.385 6.908 741 HA VAL 96 HA VAL 96 8.606 -2.754 4.414 742 HB VAL 96 HB VAL 96 11.521 -2.484 5.212 743 HG11 VAL 96 1HG1 VAL 96 11.878 -3.280 2.882 744 HG12 VAL 96 2HG1 VAL 96 11.045 -4.485 3.871 745 HG13 VAL 96 3HG1 VAL 96 10.130 -3.508 2.698 746 HG21 VAL 96 3HG2 VAL 96 10.783 -0.265 4.533 747 HG22 VAL 96 1HG2 VAL 96 11.683 -0.981 3.197 748 HG23 VAL 96 2HG2 VAL 96 9.904 -0.941 3.146 749 H GLY 97 H GLY 97 8.379 -4.886 4.510 750 HA2 GLY 97 2HA GLY 97 8.638 -7.097 5.471 751 HA3 GLY 97 3HA GLY 97 9.029 -6.380 7.030 752 H ALA 98 H ALA 98 7.193 -8.254 7.131 753 HA ALA 98 HA ALA 98 4.545 -7.568 6.378 754 HB1 ALA 98 3HB ALA 98 3.924 -9.621 7.598 755 HB2 ALA 98 1HB ALA 98 5.344 -9.874 6.577 756 HB3 ALA 98 2HB ALA 98 5.538 -9.678 8.335 757 H LYS 99 H LYS 99 2.674 -7.406 7.660 758 HA LYS 99 HA LYS 99 2.877 -6.008 10.293 759 HB2 LYS 99 2HB LYS 99 1.737 -5.033 7.734 760 HB3 LYS 99 3HB LYS 99 0.516 -5.119 8.979 761 HG2 LYS 99 2HG LYS 99 1.313 -2.976 9.201 762 HG3 LYS 99 3HG LYS 99 2.108 -3.830 10.515 763 HD2 LYS 99 2HD LYS 99 4.221 -3.876 9.254 764 HD3 LYS 99 3HD LYS 99 3.399 -3.323 7.790 765 HE2 LYS 99 2HE LYS 99 4.514 -1.423 8.699 766 HE3 LYS 99 3HE LYS 99 2.789 -1.201 8.953 767 HZ1 LYS 99 3HZ LYS 99 3.145 -2.002 11.270 768 HZ2 LYS 99 1HZ LYS 99 3.918 -0.614 10.932 769 HZ3 LYS 99 2HZ LYS 99 4.766 -2.032 11.018 770 H GLY 100 H GLY 100 0.973 -6.116 11.584 771 HA2 GLY 100 2HA GLY 100 -1.077 -8.185 10.896 772 HA3 GLY 100 3HA GLY 100 -0.671 -7.743 12.556 773 H LYS 101 H LYS 101 -3.283 -7.503 11.479 774 HA LYS 101 HA LYS 101 -4.093 -4.992 10.458 775 HB2 LYS 101 2HB LYS 101 -5.443 -6.887 12.428 776 HB3 LYS 101 3HB LYS 101 -6.249 -5.480 11.727 777 HG2 LYS 101 2HG LYS 101 -5.867 -6.395 9.449 778 HG3 LYS 101 3HG LYS 101 -5.176 -7.859 10.169 779 HD2 LYS 101 2HD LYS 101 -8.007 -6.818 10.598 780 HD3 LYS 101 3HD LYS 101 -7.531 -8.122 9.502 781 HE2 LYS 101 2HE LYS 101 -6.723 -9.476 11.388 782 HE3 LYS 101 3HE LYS 101 -7.159 -8.194 12.527 783 HZ1 LYS 101 3HZ LYS 101 -9.469 -8.483 11.933 784 HZ2 LYS 101 1HZ LYS 101 -8.878 -9.958 12.314 785 HZ3 LYS 101 2HZ LYS 101 -9.118 -9.544 10.742 786 H ALA 102 H ALA 102 -3.389 -5.820 13.808 787 HA ALA 102 HA ALA 102 -4.443 -3.393 14.947 788 HB1 ALA 102 3HB ALA 102 -3.261 -4.130 16.982 789 HB2 ALA 102 1HB ALA 102 -4.143 -5.473 16.231 790 HB3 ALA 102 2HB ALA 102 -2.377 -5.355 16.046 791 H ALA 103 H ALA 103 -1.099 -4.310 13.990 792 HA ALA 103 HA ALA 103 0.081 -1.805 14.811 793 HB1 ALA 103 3HB ALA 103 2.051 -2.655 13.609 794 HB2 ALA 103 1HB ALA 103 1.343 -3.920 14.628 795 HB3 ALA 103 2HB ALA 103 1.069 -3.943 12.872 796 H LEU 104 H LEU 104 -1.073 -3.046 11.642 797 HA LEU 104 HA LEU 104 -0.319 -0.797 10.072 798 HB2 LEU 104 2HB LEU 104 -1.062 -3.131 9.316 799 HB3 LEU 104 3HB LEU 104 -2.714 -2.637 9.649 800 HG LEU 104 HG LEU 104 -2.436 -0.764 7.968 801 HD11 LEU 104 1HD1 LEU 104 0.015 -0.508 7.932 802 HD12 LEU 104 2HD1 LEU 104 -0.535 -1.022 6.334 803 HD13 LEU 104 3HD1 LEU 104 0.203 -2.202 7.410 804 HD21 LEU 104 3HD2 LEU 104 -3.433 -2.974 7.353 805 HD22 LEU 104 1HD2 LEU 104 -1.815 -3.534 6.866 806 HD23 LEU 104 2HD2 LEU 104 -2.598 -2.197 6.002 807 H LEU 105 H LEU 105 -3.453 -1.537 11.703 808 HA LEU 105 HA LEU 105 -4.673 0.949 10.970 809 HB2 LEU 105 2HB LEU 105 -5.884 -1.142 11.511 810 HB3 LEU 105 3HB LEU 105 -5.349 -0.994 13.185 811 HG LEU 105 HG LEU 105 -6.665 1.083 13.448 812 HD11 LEU 105 1HD1 LEU 105 -7.564 0.555 10.577 813 HD12 LEU 105 2HD1 LEU 105 -6.655 1.969 11.162 814 HD13 LEU 105 3HD1 LEU 105 -8.317 1.720 11.692 815 HD21 LEU 105 3HD2 LEU 105 -7.692 -1.104 13.941 816 HD22 LEU 105 1HD2 LEU 105 -8.274 -1.218 12.266 817 HD23 LEU 105 2HD2 LEU 105 -8.890 0.054 13.346 818 H ARG 106 H ARG 106 -2.726 0.040 13.871 819 HA ARG 106 HA ARG 106 -3.258 2.499 15.289 820 HB2 ARG 106 2HB ARG 106 -2.372 0.473 16.349 821 HB3 ARG 106 3HB ARG 106 -0.863 0.626 15.433 822 HG2 ARG 106 2HG ARG 106 -0.356 2.748 16.591 823 HG3 ARG 106 3HG ARG 106 -1.936 2.710 17.391 824 HD2 ARG 106 2HD ARG 106 -0.229 1.990 18.942 825 HD3 ARG 106 3HD ARG 106 -1.300 0.645 18.589 826 HE ARG 106 HE ARG 106 1.505 1.031 17.589 827 HH11 ARG 106 1HH2 ARG 106 -1.138 -1.228 18.062 828 HH12 ARG 106 2HH2 ARG 106 -0.124 -2.608 17.750 829 HH21 ARG 106 1HH1 ARG 106 2.716 -0.765 17.168 830 HH22 ARG 106 2HH1 ARG 106 1.996 -2.345 17.242 831 H GLU 107 H GLU 107 -0.567 1.634 13.032 832 HA GLU 107 HA GLU 107 0.476 4.330 13.180 833 HB2 GLU 107 2HB GLU 107 2.057 3.764 11.566 834 HB3 GLU 107 3HB GLU 107 1.854 2.374 12.619 835 HG2 GLU 107 2HG GLU 107 0.479 1.311 10.873 836 HG3 GLU 107 3HG GLU 107 0.737 2.718 9.843 837 H LEU 108 H LEU 108 -2.070 2.934 11.185 838 HA LEU 108 HA LEU 108 -2.455 5.325 9.607 839 HB2 LEU 108 2HB LEU 108 -3.325 2.981 9.148 840 HB3 LEU 108 3HB LEU 108 -4.437 3.167 10.470 841 HG LEU 108 HG LEU 108 -5.318 3.408 8.148 842 HD11 LEU 108 1HD1 LEU 108 -6.959 5.094 8.656 843 HD12 LEU 108 2HD1 LEU 108 -5.956 5.771 9.937 844 HD13 LEU 108 3HD1 LEU 108 -6.622 4.137 10.105 845 HD21 LEU 108 3HD2 LEU 108 -5.171 5.559 7.003 846 HD22 LEU 108 1HD2 LEU 108 -3.558 4.859 7.212 847 HD23 LEU 108 2HD2 LEU 108 -4.102 6.197 8.257 848 H SER 109 H SER 109 -3.702 4.294 12.784 849 HA SER 109 HA SER 109 -5.523 6.464 13.189 850 HB2 SER 109 2HB SER 109 -4.077 4.776 15.265 851 HB3 SER 109 3HB SER 109 -5.487 5.807 15.547 852 HG SER 109 HG SER 109 -5.338 3.541 13.822 853 H ASP 110 H ASP 110 -2.059 6.196 13.579 854 HA ASP 110 HA ASP 110 -1.597 8.638 15.010 855 HB2 ASP 110 2HB ASP 110 0.056 6.786 14.482 856 HB3 ASP 110 3HB ASP 110 0.060 7.377 12.815 857 H VAL 111 H VAL 111 -2.742 8.146 11.753 858 HA VAL 111 HA VAL 111 -1.854 10.824 10.795 859 HB VAL 111 HB VAL 111 -2.691 8.325 9.274 860 HG11 VAL 111 1HG1 VAL 111 -3.217 10.324 7.949 861 HG12 VAL 111 2HG1 VAL 111 -1.567 10.949 8.234 862 HG13 VAL 111 3HG1 VAL 111 -1.829 9.472 7.277 863 HG21 VAL 111 3HG2 VAL 111 -0.518 7.989 10.284 864 HG22 VAL 111 1HG2 VAL 111 -0.237 8.389 8.586 865 HG23 VAL 111 2HG2 VAL 111 0.010 9.623 9.838 866 H VAL 112 H VAL 112 -4.768 8.831 11.260 867 HA VAL 112 HA VAL 112 -6.330 11.337 11.191 868 HB VAL 112 HB VAL 112 -8.297 10.106 10.195 869 HG11 VAL 112 1HG1 VAL 112 -7.021 11.831 9.000 870 HG12 VAL 112 2HG1 VAL 112 -5.923 10.578 8.371 871 HG13 VAL 112 3HG1 VAL 112 -7.645 10.584 7.914 872 HG21 VAL 112 3HG2 VAL 112 -7.902 8.232 8.700 873 HG22 VAL 112 1HG2 VAL 112 -6.181 8.185 9.131 874 HG23 VAL 112 2HG2 VAL 112 -7.421 7.779 10.339 875 HA PRO 113 HA PRO 113 -7.775 10.015 15.081 876 HB2 PRO 113 2HB PRO 113 -10.514 11.013 14.274 877 HB3 PRO 113 3HB PRO 113 -9.598 11.335 15.779 878 HG2 PRO 113 2HG PRO 113 -9.658 13.195 13.827 879 HG3 PRO 113 3HG PRO 113 -8.103 12.816 14.641 880 HD2 PRO 113 2HD PRO 113 -9.118 11.810 11.967 881 HD3 PRO 113 3HD PRO 113 -7.510 12.460 12.407 882 H ASN 114 H ASN 114 -8.520 8.211 16.040 883 HA ASN 114 HA ASN 114 -10.747 6.600 15.115 884 HB2 ASN 114 2HB ASN 114 -9.150 5.904 13.387 885 HB3 ASN 114 3HB ASN 114 -7.911 5.620 14.596 886 HD21 ASN 114 1HD2 ASN 114 -7.576 3.449 14.599 887 HD22 ASN 114 2HD2 ASN 114 -8.857 2.244 14.740 888 H LEU 115 H LEU 115 -7.623 6.180 16.875 889 HA LEU 115 HA LEU 115 -8.932 4.565 18.957 890 HB2 LEU 115 2HB LEU 115 -6.024 5.329 18.521 891 HB3 LEU 115 3HB LEU 115 -6.604 4.218 19.760 892 HG LEU 115 HG LEU 115 -6.881 3.769 16.767 893 HD11 LEU 115 1HD1 LEU 115 -5.145 2.069 17.058 894 HD12 LEU 115 2HD1 LEU 115 -5.009 2.472 18.786 895 HD13 LEU 115 3HD1 LEU 115 -4.539 3.658 17.547 896 HD21 LEU 115 3HD2 LEU 115 -7.451 1.438 17.410 897 HD22 LEU 115 1HD2 LEU 115 -8.661 2.596 17.963 898 HD23 LEU 115 2HD2 LEU 115 -7.481 1.929 19.118 899 H ASN 116 H ASN 116 -10.156 6.797 19.193 900 HA ASN 116 HA ASN 116 -9.175 8.178 21.628 901 HB2 ASN 116 2HB ASN 116 -9.673 10.406 20.403 902 HB3 ASN 116 3HB ASN 116 -8.152 9.583 20.081 903 HD21 ASN 116 1HD2 ASN 116 -11.470 9.410 18.763 904 HD22 ASN 116 2HD2 ASN 116 -10.968 9.571 17.070 Start of MODEL 2 1 H1 MET 1 1H MET 1 -10.622 -12.385 -1.899 2 HA MET 1 HA MET 1 -12.970 -11.819 -1.991 3 HB2 MET 1 2HB MET 1 -11.979 -9.065 -1.117 4 HB3 MET 1 3HB MET 1 -13.580 -9.401 -1.775 5 HG2 MET 1 2HG MET 1 -14.016 -10.971 0.112 6 HG3 MET 1 3HG MET 1 -12.460 -10.512 0.818 7 HE1 MET 1 3HE MET 1 -14.908 -8.765 3.277 8 HE2 MET 1 1HE MET 1 -15.046 -10.370 2.526 9 HE3 MET 1 2HE MET 1 -13.467 -9.791 3.111 10 H THR 2 H THR 2 -13.816 -11.168 -3.981 11 HA THR 2 HA THR 2 -11.875 -10.182 -6.022 12 HB THR 2 HB THR 2 -13.610 -11.006 -7.632 13 HG1 THR 2 HG1 THR 2 -15.216 -12.346 -6.791 14 HG21 THR 2 3HG2 THR 2 -11.677 -12.429 -6.975 15 HG22 THR 2 1HG2 THR 2 -13.126 -13.378 -7.344 16 HG23 THR 2 2HG2 THR 2 -12.645 -13.119 -5.653 17 H ASP 3 H ASP 3 -14.396 -8.944 -4.114 18 HA ASP 3 HA ASP 3 -15.398 -7.040 -6.137 19 HB2 ASP 3 2HB ASP 3 -16.921 -8.389 -4.719 20 HB3 ASP 3 3HB ASP 3 -16.290 -7.581 -3.284 21 H SER 4 H SER 4 -14.645 -5.036 -6.330 22 HA SER 4 HA SER 4 -12.850 -3.857 -4.296 23 HB2 SER 4 2HB SER 4 -12.157 -2.378 -6.157 24 HB3 SER 4 3HB SER 4 -11.920 -4.101 -6.486 25 HG SER 4 HG SER 4 -12.888 -2.986 -8.264 26 H GLU 5 H GLU 5 -16.067 -3.692 -4.666 27 HA GLU 5 HA GLU 5 -16.361 -0.772 -4.092 28 HB2 GLU 5 2HB GLU 5 -17.891 -1.686 -5.766 29 HB3 GLU 5 3HB GLU 5 -18.349 -2.988 -4.682 30 HG2 GLU 5 2HG GLU 5 -19.280 -1.237 -3.127 31 HG3 GLU 5 3HG GLU 5 -19.001 -0.070 -4.419 32 H LYS 6 H LYS 6 -17.015 -3.978 -2.808 33 HA LYS 6 HA LYS 6 -17.920 -2.997 -0.200 34 HB2 LYS 6 2HB LYS 6 -17.510 -5.721 -1.452 35 HB3 LYS 6 3HB LYS 6 -18.270 -5.478 0.138 36 HG2 LYS 6 2HG LYS 6 -20.116 -4.227 -0.880 37 HG3 LYS 6 3HG LYS 6 -19.324 -4.261 -2.458 38 HD2 LYS 6 2HD LYS 6 -19.442 -6.816 -2.351 39 HD3 LYS 6 3HD LYS 6 -20.472 -6.621 -0.933 40 HE2 LYS 6 2HE LYS 6 -21.839 -6.967 -2.900 41 HE3 LYS 6 3HE LYS 6 -22.107 -5.328 -2.296 42 HZ1 LYS 6 3HZ LYS 6 -21.755 -5.599 -4.786 43 HZ2 LYS 6 1HZ LYS 6 -20.166 -5.884 -4.478 44 HZ3 LYS 6 2HZ LYS 6 -20.859 -4.437 -4.090 45 H SER 7 H SER 7 -14.951 -3.951 -1.485 46 HA SER 7 HA SER 7 -13.648 -3.513 1.146 47 HB2 SER 7 2HB SER 7 -13.393 -5.928 0.534 48 HB3 SER 7 3HB SER 7 -12.613 -5.426 -0.982 49 HG SER 7 HG SER 7 -11.711 -5.358 1.643 50 H ALA 8 H ALA 8 -12.108 -1.855 1.047 51 HA ALA 8 HA ALA 8 -12.145 -0.406 -1.440 52 HB1 ALA 8 3HB ALA 8 -10.886 0.402 1.189 53 HB2 ALA 8 1HB ALA 8 -11.187 1.444 -0.211 54 HB3 ALA 8 2HB ALA 8 -12.556 0.737 0.658 55 H THR 9 H THR 9 -10.886 -2.300 -2.467 56 HA THR 9 HA THR 9 -7.943 -1.839 -2.299 57 HB THR 9 HB THR 9 -7.690 -4.039 -3.383 58 HG1 THR 9 HG1 THR 9 -9.488 -5.425 -3.334 59 HG21 THR 9 3HG2 THR 9 -7.546 -3.766 -0.902 60 HG22 THR 9 1HG2 THR 9 -8.117 -5.369 -1.397 61 HG23 THR 9 2HG2 THR 9 -9.275 -4.171 -0.786 62 H ILE 10 H ILE 10 -6.751 -1.296 -4.010 63 HA ILE 10 HA ILE 10 -7.853 -1.369 -6.764 64 HB ILE 10 HB ILE 10 -7.066 0.872 -7.283 65 HG12 ILE 10 2HG1 ILE 10 -6.470 1.217 -4.314 66 HG13 ILE 10 3HG1 ILE 10 -5.282 1.107 -5.618 67 HG21 ILE 10 1HG2 ILE 10 -9.432 0.475 -6.568 68 HG22 ILE 10 2HG2 ILE 10 -8.993 1.045 -4.942 69 HG23 ILE 10 3HG2 ILE 10 -8.874 2.131 -6.341 70 HD11 ILE 10 3HD1 ILE 10 -6.247 3.174 -6.639 71 HD12 ILE 10 1HD1 ILE 10 -7.273 3.360 -5.197 72 HD13 ILE 10 2HD1 ILE 10 -5.512 3.418 -5.042 73 H LYS 11 H LYS 11 -6.093 -0.969 -8.411 74 HA LYS 11 HA LYS 11 -3.367 -1.653 -7.434 75 HB2 LYS 11 2HB LYS 11 -2.914 -3.219 -9.067 76 HB3 LYS 11 3HB LYS 11 -4.454 -3.698 -8.383 77 HG2 LYS 11 2HG LYS 11 -4.012 -2.319 -11.071 78 HG3 LYS 11 3HG LYS 11 -4.335 -4.029 -10.809 79 HD2 LYS 11 2HD LYS 11 -6.562 -3.425 -9.809 80 HD3 LYS 11 3HD LYS 11 -6.285 -1.742 -10.284 81 HE2 LYS 11 2HE LYS 11 -6.326 -4.116 -12.199 82 HE3 LYS 11 3HE LYS 11 -7.704 -3.063 -11.876 83 HZ1 LYS 11 3HZ LYS 11 -6.392 -1.185 -12.725 84 HZ2 LYS 11 1HZ LYS 11 -6.547 -2.343 -13.861 85 HZ3 LYS 11 2HZ LYS 11 -5.133 -2.172 -13.070 86 H VAL 12 H VAL 12 -1.641 -0.747 -8.458 87 HA VAL 12 HA VAL 12 -2.237 1.482 -10.366 88 HB VAL 12 HB VAL 12 -0.769 2.966 -9.090 89 HG11 VAL 12 1HG1 VAL 12 -3.067 1.920 -7.387 90 HG12 VAL 12 2HG1 VAL 12 -2.340 3.536 -7.339 91 HG13 VAL 12 3HG1 VAL 12 -3.229 3.009 -8.781 92 HG21 VAL 12 3HG2 VAL 12 -0.157 2.512 -6.769 93 HG22 VAL 12 1HG2 VAL 12 -0.843 0.882 -6.864 94 HG23 VAL 12 2HG2 VAL 12 0.587 1.306 -7.831 95 H THR 13 H THR 13 -0.540 2.345 -11.502 96 HA THR 13 HA THR 13 2.038 0.885 -11.745 97 HB THR 13 HB THR 13 1.891 1.048 -14.202 98 HG1 THR 13 HG1 THR 13 -0.137 1.504 -15.136 99 HG21 THR 13 3HG2 THR 13 1.142 -1.065 -13.092 100 HG22 THR 13 1HG2 THR 13 0.364 -0.765 -14.657 101 HG23 THR 13 2HG2 THR 13 -0.531 -0.467 -13.152 102 H ASP 14 H ASP 14 3.633 2.270 -13.008 103 HA ASP 14 HA ASP 14 3.917 4.700 -11.772 104 HB2 ASP 14 2HB ASP 14 5.656 3.324 -12.917 105 HB3 ASP 14 3HB ASP 14 5.094 3.942 -14.470 106 H ALA 15 H ALA 15 2.145 4.202 -14.773 107 HA ALA 15 HA ALA 15 1.909 7.058 -15.405 108 HB1 ALA 15 3HB ALA 15 2.121 5.348 -17.167 109 HB2 ALA 15 1HB ALA 15 0.605 4.589 -16.624 110 HB3 ALA 15 2HB ALA 15 0.589 6.230 -17.304 111 H SER 16 H SER 16 0.137 4.874 -13.367 112 HA SER 16 HA SER 16 -2.330 6.566 -13.448 113 HB2 SER 16 2HB SER 16 -3.501 4.604 -12.557 114 HB3 SER 16 3HB SER 16 -2.785 4.316 -14.147 115 HG SER 16 HG SER 16 -1.350 2.969 -13.309 116 H PHE 17 H PHE 17 0.199 5.374 -11.350 117 HA PHE 17 HA PHE 17 -0.786 5.525 -8.806 118 HB2 PHE 17 2HB PHE 17 1.522 4.906 -9.618 119 HB3 PHE 17 3HB PHE 17 1.906 6.610 -9.746 120 HD1 PHE 17 HD2 PHE 17 1.761 8.026 -7.506 121 HD2 PHE 17 HD1 PHE 17 1.907 3.719 -7.670 122 HE1 PHE 17 HE2 PHE 17 2.543 7.956 -5.153 123 HE2 PHE 17 HE1 PHE 17 2.803 3.668 -5.362 124 HZ PHE 17 HZ PHE 17 3.080 5.779 -4.082 125 H ALA 18 H ALA 18 0.267 8.378 -10.753 126 HA ALA 18 HA ALA 18 -0.025 10.183 -8.582 127 HB1 ALA 18 3HB ALA 18 1.375 10.648 -10.547 128 HB2 ALA 18 1HB ALA 18 -0.077 10.735 -11.578 129 HB3 ALA 18 2HB ALA 18 0.189 11.941 -10.297 130 H THR 19 H THR 19 -2.470 9.012 -10.878 131 HA THR 19 HA THR 19 -4.458 10.990 -9.911 132 HB THR 19 HB THR 19 -4.898 8.548 -11.679 133 HG1 THR 19 HG1 THR 19 -4.301 11.220 -12.434 134 HG21 THR 19 3HG2 THR 19 -6.467 11.146 -11.353 135 HG22 THR 19 1HG2 THR 19 -7.002 9.515 -10.892 136 HG23 THR 19 2HG2 THR 19 -6.775 9.913 -12.599 137 H ASP 20 H ASP 20 -3.596 7.600 -9.317 138 HA ASP 20 HA ASP 20 -6.061 7.113 -7.766 139 HB2 ASP 20 2HB ASP 20 -3.661 5.454 -8.545 140 HB3 ASP 20 3HB ASP 20 -4.800 4.892 -7.326 141 H VAL 21 H VAL 21 -2.623 7.601 -7.001 142 HA VAL 21 HA VAL 21 -3.174 7.398 -4.092 143 HB VAL 21 HB VAL 21 -0.490 7.647 -5.480 144 HG11 VAL 21 1HG1 VAL 21 0.427 6.814 -3.409 145 HG12 VAL 21 2HG1 VAL 21 -0.533 8.246 -3.048 146 HG13 VAL 21 3HG1 VAL 21 -1.188 6.627 -2.707 147 HG21 VAL 21 3HG2 VAL 21 -1.971 5.134 -4.576 148 HG22 VAL 21 1HG2 VAL 21 -1.527 5.560 -6.246 149 HG23 VAL 21 2HG2 VAL 21 -0.266 5.197 -5.075 150 H LEU 22 H LEU 22 -1.565 9.689 -6.389 151 HA LEU 22 HA LEU 22 -1.314 11.628 -4.224 152 HB2 LEU 22 2HB LEU 22 -0.538 12.057 -7.101 153 HB3 LEU 22 3HB LEU 22 -0.026 12.969 -5.694 154 HG LEU 22 HG LEU 22 0.661 10.057 -6.271 155 HD11 LEU 22 1HD1 LEU 22 1.802 11.675 -7.741 156 HD12 LEU 22 2HD1 LEU 22 2.931 10.891 -6.625 157 HD13 LEU 22 3HD1 LEU 22 2.392 12.556 -6.315 158 HD21 LEU 22 3HD2 LEU 22 1.624 11.863 -4.013 159 HD22 LEU 22 1HD2 LEU 22 2.254 10.249 -4.389 160 HD23 LEU 22 2HD2 LEU 22 0.590 10.428 -3.829 161 H SER 23 H SER 23 -3.677 11.176 -6.704 162 HA SER 23 HA SER 23 -4.995 13.732 -5.952 163 HB2 SER 23 2HB SER 23 -5.587 11.972 -8.315 164 HB3 SER 23 3HB SER 23 -6.455 13.446 -7.873 165 HG SER 23 HG SER 23 -4.836 13.893 -9.404 166 H SER 24 H SER 24 -4.938 11.196 -4.230 167 HA SER 24 HA SER 24 -7.341 9.774 -4.302 168 HB2 SER 24 2HB SER 24 -6.745 9.122 -2.055 169 HB3 SER 24 3HB SER 24 -5.304 9.139 -3.072 170 HG SER 24 HG SER 24 -5.208 10.205 -0.898 171 H ASN 25 H ASN 25 -6.678 12.815 -2.631 172 HA ASN 25 HA ASN 25 -7.759 14.038 -1.106 173 HB2 ASN 25 2HB ASN 25 -9.221 14.441 -3.145 174 HB3 ASN 25 3HB ASN 25 -10.361 13.280 -2.465 175 HD21 ASN 25 1HD2 ASN 25 -12.033 14.827 -2.158 176 HD22 ASN 25 2HD2 ASN 25 -11.877 16.123 -0.982 177 H LYS 26 H LYS 26 -7.316 11.149 -0.564 178 HA LYS 26 HA LYS 26 -8.482 11.308 2.119 179 HB2 LYS 26 2HB LYS 26 -9.265 8.985 2.180 180 HB3 LYS 26 3HB LYS 26 -10.192 9.932 1.031 181 HG2 LYS 26 2HG LYS 26 -9.287 8.819 -0.833 182 HG3 LYS 26 3HG LYS 26 -7.829 8.334 0.025 183 HD2 LYS 26 2HD LYS 26 -9.096 6.388 -0.316 184 HD3 LYS 26 3HD LYS 26 -9.151 6.750 1.409 185 HE2 LYS 26 2HE LYS 26 -11.438 7.714 1.123 186 HE3 LYS 26 3HE LYS 26 -11.361 7.330 -0.604 187 HZ1 LYS 26 3HZ LYS 26 -12.511 5.550 0.516 188 HZ2 LYS 26 1HZ LYS 26 -11.343 5.358 1.625 189 HZ3 LYS 26 2HZ LYS 26 -11.048 4.955 0.069 190 HA PRO 27 HA PRO 27 -4.651 9.084 3.426 191 HB2 PRO 27 2HB PRO 27 -6.786 7.346 4.707 192 HB3 PRO 27 3HB PRO 27 -5.174 7.753 5.353 193 HG2 PRO 27 2HG PRO 27 -7.324 9.118 6.209 194 HG3 PRO 27 3HG PRO 27 -5.862 10.048 5.735 195 HD2 PRO 27 2HD PRO 27 -8.401 9.600 4.152 196 HD3 PRO 27 3HD PRO 27 -7.419 11.081 4.311 197 H VAL 28 H VAL 28 -3.561 7.532 2.270 198 HA VAL 28 HA VAL 28 -5.014 5.216 1.153 199 HB VAL 28 HB VAL 28 -5.260 6.734 -0.630 200 HG11 VAL 28 1HG1 VAL 28 -3.412 8.319 -0.159 201 HG12 VAL 28 2HG1 VAL 28 -2.259 7.093 -0.745 202 HG13 VAL 28 3HG1 VAL 28 -3.463 7.793 -1.841 203 HG21 VAL 28 3HG2 VAL 28 -3.039 4.784 -1.354 204 HG22 VAL 28 1HG2 VAL 28 -4.768 4.395 -1.235 205 HG23 VAL 28 2HG2 VAL 28 -4.204 5.536 -2.460 206 H LEU 29 H LEU 29 -4.011 3.429 1.446 207 HA LEU 29 HA LEU 29 -1.182 3.369 2.351 208 HB2 LEU 29 2HB LEU 29 -3.409 2.133 3.373 209 HB3 LEU 29 3HB LEU 29 -2.988 0.970 2.158 210 HG LEU 29 HG LEU 29 -0.740 0.683 3.209 211 HD11 LEU 29 1HD1 LEU 29 -1.900 2.460 5.405 212 HD12 LEU 29 2HD1 LEU 29 -0.499 2.844 4.375 213 HD13 LEU 29 3HD1 LEU 29 -0.404 1.508 5.525 214 HD21 LEU 29 3HD2 LEU 29 -2.638 -0.802 3.724 215 HD22 LEU 29 1HD2 LEU 29 -3.180 0.306 5.009 216 HD23 LEU 29 2HD2 LEU 29 -1.638 -0.551 5.154 217 H VAL 30 H VAL 30 0.407 2.565 0.927 218 HA VAL 30 HA VAL 30 -0.531 1.060 -1.489 219 HB VAL 30 HB VAL 30 1.914 2.811 -1.613 220 HG11 VAL 30 1HG1 VAL 30 0.093 1.521 -3.691 221 HG12 VAL 30 2HG1 VAL 30 1.475 2.563 -4.046 222 HG13 VAL 30 3HG1 VAL 30 1.739 1.007 -3.260 223 HG21 VAL 30 3HG2 VAL 30 0.611 4.459 -2.891 224 HG22 VAL 30 1HG2 VAL 30 -0.894 3.619 -2.464 225 HG23 VAL 30 2HG2 VAL 30 0.090 4.393 -1.207 226 H ASP 31 H ASP 31 0.267 -0.883 -1.672 227 HA ASP 31 HA ASP 31 2.646 -1.667 -0.033 228 HB2 ASP 31 2HB ASP 31 0.598 -2.762 0.632 229 HB3 ASP 31 3HB ASP 31 0.268 -3.245 -1.034 230 H PHE 32 H PHE 32 4.439 -2.024 -1.038 231 HA PHE 32 HA PHE 32 4.605 -2.636 -3.948 232 HB2 PHE 32 2HB PHE 32 6.635 -1.625 -1.913 233 HB3 PHE 32 3HB PHE 32 7.029 -2.105 -3.550 234 HD1 PHE 32 HD1 PHE 32 4.698 0.277 -1.725 235 HD2 PHE 32 HD2 PHE 32 7.197 -0.450 -5.169 236 HE1 PHE 32 HE1 PHE 32 4.228 2.562 -2.557 237 HE2 PHE 32 HE2 PHE 32 6.757 1.850 -5.962 238 HZ PHE 32 HZ PHE 32 5.249 3.356 -4.674 239 H TRP 33 H TRP 33 4.727 -4.781 -4.381 240 HA TRP 33 HA TRP 33 6.176 -6.624 -2.569 241 HB2 TRP 33 2HB TRP 33 4.340 -7.833 -1.875 242 HB3 TRP 33 3HB TRP 33 3.817 -6.186 -1.686 243 HD1 TRP 33 HD1 TRP 33 3.124 -6.331 -5.114 244 HE1 TRP 33 HE1 TRP 33 0.868 -7.293 -5.728 245 HE3 TRP 33 HE3 TRP 33 1.969 -8.438 -0.617 246 HZ2 TRP 33 HZ2 TRP 33 -1.221 -8.877 -4.416 247 HZ3 TRP 33 HZ3 TRP 33 -0.203 -9.575 -0.285 248 HH2 TRP 33 HH2 TRP 33 -1.821 -9.773 -2.148 249 H ALA 34 H ALA 34 5.646 -9.024 -3.346 250 HA ALA 34 HA ALA 34 4.934 -9.120 -6.198 251 HB1 ALA 34 3HB ALA 34 7.159 -10.860 -5.069 252 HB2 ALA 34 1HB ALA 34 6.521 -10.842 -6.726 253 HB3 ALA 34 2HB ALA 34 7.412 -9.439 -6.115 254 H THR 35 H THR 35 3.392 -10.670 -6.617 255 HA THR 35 HA THR 35 1.776 -11.462 -4.452 256 HB THR 35 HB THR 35 0.524 -12.826 -6.142 257 HG1 THR 35 HG1 THR 35 1.252 -12.709 -8.282 258 HG21 THR 35 3HG2 THR 35 1.295 -10.032 -7.086 259 HG22 THR 35 1HG2 THR 35 0.046 -10.426 -5.887 260 HG23 THR 35 2HG2 THR 35 -0.150 -10.948 -7.566 261 H TRP 36 H TRP 36 4.401 -13.277 -5.875 262 HA TRP 36 HA TRP 36 3.583 -15.845 -4.726 263 HB2 TRP 36 2HB TRP 36 5.748 -16.597 -5.725 264 HB3 TRP 36 3HB TRP 36 4.617 -15.880 -6.855 265 HD1 TRP 36 HD1 TRP 36 5.422 -13.950 -8.301 266 HE1 TRP 36 HE1 TRP 36 7.562 -12.551 -8.516 267 HE3 TRP 36 HE3 TRP 36 7.929 -15.621 -4.143 268 HZ2 TRP 36 HZ2 TRP 36 9.957 -12.069 -6.988 269 HZ3 TRP 36 HZ3 TRP 36 10.121 -14.633 -3.527 270 HH2 TRP 36 HH2 TRP 36 11.138 -12.853 -4.929 271 H CYS 37 H CYS 37 5.193 -13.135 -3.365 272 HA CYS 37 HA CYS 37 7.247 -14.638 -1.989 273 HB2 CYS 37 2HB CYS 37 8.217 -12.707 -2.031 274 HB3 CYS 37 3HB CYS 37 6.791 -11.935 -2.661 275 H GLY 38 H GLY 38 7.511 -15.167 0.160 276 HA2 GLY 38 2HA GLY 38 5.319 -16.255 1.502 277 HA3 GLY 38 3HA GLY 38 6.891 -15.942 2.236 278 HA PRO 39 HA PRO 39 5.112 -12.785 4.773 279 HB2 PRO 39 2HB PRO 39 6.597 -10.471 4.500 280 HB3 PRO 39 3HB PRO 39 7.126 -11.928 5.384 281 HG2 PRO 39 2HG PRO 39 7.768 -11.113 2.548 282 HG3 PRO 39 3HG PRO 39 8.893 -11.684 3.817 283 HD2 PRO 39 2HD PRO 39 7.951 -13.369 1.915 284 HD3 PRO 39 3HD PRO 39 8.138 -13.927 3.602 285 H CYS 40 H CYS 40 5.407 -11.912 1.353 286 HA CYS 40 HA CYS 40 3.491 -9.781 1.293 287 HB2 CYS 40 2HB CYS 40 4.103 -11.776 -0.922 288 HB3 CYS 40 3HB CYS 40 3.388 -10.202 -1.081 289 H LYS 41 H LYS 41 3.118 -13.338 0.770 290 HA LYS 41 HA LYS 41 0.229 -13.325 0.696 291 HB2 LYS 41 2HB LYS 41 2.282 -15.482 1.352 292 HB3 LYS 41 3HB LYS 41 0.561 -15.800 1.301 293 HG2 LYS 41 2HG LYS 41 2.235 -14.785 -1.040 294 HG3 LYS 41 3HG LYS 41 1.728 -16.447 -0.781 295 HD2 LYS 41 2HD LYS 41 -0.087 -14.076 -1.388 296 HD3 LYS 41 3HD LYS 41 0.345 -15.404 -2.465 297 HE2 LYS 41 2HE LYS 41 -0.753 -17.018 -0.897 298 HE3 LYS 41 3HE LYS 41 -1.274 -15.657 0.107 299 HZ1 LYS 41 3HZ LYS 41 -2.530 -14.815 -1.813 300 HZ2 LYS 41 1HZ LYS 41 -3.016 -16.329 -1.443 301 HZ3 LYS 41 2HZ LYS 41 -2.050 -16.079 -2.732 302 H MET 42 H MET 42 2.493 -13.517 3.458 303 HA MET 42 HA MET 42 0.430 -14.026 5.399 304 HB2 MET 42 2HB MET 42 3.131 -12.680 5.742 305 HB3 MET 42 3HB MET 42 2.069 -13.120 7.066 306 HG2 MET 42 2HG MET 42 3.285 -15.057 5.069 307 HG3 MET 42 3HG MET 42 3.829 -14.799 6.718 308 HE1 MET 42 3HE MET 42 2.576 -15.599 8.870 309 HE2 MET 42 1HE MET 42 1.091 -14.713 8.444 310 HE3 MET 42 2HE MET 42 1.007 -16.432 8.874 311 H VAL 43 H VAL 43 1.516 -10.896 4.024 312 HA VAL 43 HA VAL 43 -0.338 -9.476 5.843 313 HB VAL 43 HB VAL 43 1.899 -8.618 5.458 314 HG11 VAL 43 1HG1 VAL 43 2.208 -9.017 3.064 315 HG12 VAL 43 2HG1 VAL 43 0.918 -7.885 2.666 316 HG13 VAL 43 3HG1 VAL 43 2.406 -7.299 3.427 317 HG21 VAL 43 3HG2 VAL 43 1.348 -6.280 5.357 318 HG22 VAL 43 1HG2 VAL 43 -0.236 -6.631 4.654 319 HG23 VAL 43 2HG2 VAL 43 0.140 -7.152 6.311 320 H ALA 44 H ALA 44 -0.580 -10.833 2.681 321 HA ALA 44 HA ALA 44 -2.447 -9.256 1.413 322 HB1 ALA 44 3HB ALA 44 -1.459 -11.308 0.486 323 HB2 ALA 44 1HB ALA 44 -2.461 -12.294 1.558 324 HB3 ALA 44 2HB ALA 44 -3.222 -11.289 0.312 325 HA PRO 45 HA PRO 45 -6.241 -10.888 3.855 326 HB2 PRO 45 2HB PRO 45 -5.931 -12.039 6.327 327 HB3 PRO 45 3HB PRO 45 -5.959 -12.969 4.798 328 HG2 PRO 45 2HG PRO 45 -3.526 -12.002 6.339 329 HG3 PRO 45 3HG PRO 45 -3.854 -13.649 5.709 330 HD2 PRO 45 2HD PRO 45 -2.316 -11.931 4.332 331 HD3 PRO 45 3HD PRO 45 -3.487 -12.969 3.474 332 H VAL 46 H VAL 46 -3.429 -9.609 5.627 333 HA VAL 46 HA VAL 46 -4.960 -8.039 7.529 334 HB VAL 46 HB VAL 46 -2.030 -8.050 6.695 335 HG11 VAL 46 1HG1 VAL 46 -2.430 -5.772 7.332 336 HG12 VAL 46 2HG1 VAL 46 -3.415 -6.271 8.722 337 HG13 VAL 46 3HG1 VAL 46 -1.658 -6.575 8.693 338 HG21 VAL 46 3HG2 VAL 46 -3.487 -8.844 9.256 339 HG22 VAL 46 1HG2 VAL 46 -2.854 -9.967 8.033 340 HG23 VAL 46 2HG2 VAL 46 -1.738 -8.964 8.957 341 H LEU 47 H LEU 47 -3.243 -7.156 4.504 342 HA LEU 47 HA LEU 47 -4.207 -4.403 4.470 343 HB2 LEU 47 2HB LEU 47 -3.053 -4.237 2.444 344 HB3 LEU 47 3HB LEU 47 -2.121 -5.257 3.492 345 HG LEU 47 HG LEU 47 -3.335 -7.218 2.184 346 HD11 LEU 47 1HD1 LEU 47 -4.791 -5.735 0.782 347 HD12 LEU 47 2HD1 LEU 47 -3.683 -6.694 -0.188 348 HD13 LEU 47 3HD1 LEU 47 -3.343 -4.964 0.130 349 HD21 LEU 47 3HD2 LEU 47 -0.928 -6.744 2.289 350 HD22 LEU 47 1HD2 LEU 47 -1.089 -5.548 1.005 351 HD23 LEU 47 2HD2 LEU 47 -1.411 -7.294 0.695 352 H GLU 48 H GLU 48 -5.552 -7.459 3.055 353 HA GLU 48 HA GLU 48 -7.766 -6.101 1.800 354 HB2 GLU 48 2HB GLU 48 -7.092 -8.432 1.342 355 HB3 GLU 48 3HB GLU 48 -7.666 -8.927 2.936 356 HG2 GLU 48 2HG GLU 48 -9.954 -8.325 2.356 357 HG3 GLU 48 3HG GLU 48 -9.423 -7.542 0.864 358 H GLU 49 H GLU 49 -7.407 -7.454 5.149 359 HA GLU 49 HA GLU 49 -10.099 -6.808 5.818 360 HB2 GLU 49 2HB GLU 49 -7.661 -7.446 7.497 361 HB3 GLU 49 3HB GLU 49 -9.178 -6.919 8.239 362 HG2 GLU 49 2HG GLU 49 -10.420 -8.735 7.213 363 HG3 GLU 49 3HG GLU 49 -9.001 -9.289 6.338 364 H ILE 50 H ILE 50 -7.066 -4.887 6.347 365 HA ILE 50 HA ILE 50 -8.368 -2.622 7.542 366 HB ILE 50 HB ILE 50 -5.945 -2.889 5.750 367 HG12 ILE 50 2HG1 ILE 50 -5.678 -3.939 7.959 368 HG13 ILE 50 3HG1 ILE 50 -4.586 -2.589 7.732 369 HG21 ILE 50 1HG2 ILE 50 -6.894 -0.360 7.139 370 HG22 ILE 50 2HG2 ILE 50 -5.226 -0.600 6.567 371 HG23 ILE 50 3HG2 ILE 50 -6.555 -0.617 5.414 372 HD11 ILE 50 3HD1 ILE 50 -5.460 -2.630 9.993 373 HD12 ILE 50 1HD1 ILE 50 -6.010 -1.162 9.176 374 HD13 ILE 50 2HD1 ILE 50 -7.129 -2.531 9.408 375 H ALA 51 H ALA 51 -7.859 -3.429 4.061 376 HA ALA 51 HA ALA 51 -9.025 -1.059 2.992 377 HB1 ALA 51 3HB ALA 51 -9.265 -2.420 0.958 378 HB2 ALA 51 1HB ALA 51 -7.691 -2.728 1.709 379 HB3 ALA 51 2HB ALA 51 -9.002 -3.903 1.874 380 H THR 52 H THR 52 -10.526 -4.100 4.137 381 HA THR 52 HA THR 52 -13.166 -3.358 3.169 382 HB THR 52 HB THR 52 -12.361 -5.453 5.252 383 HG1 THR 52 HG1 THR 52 -11.285 -5.953 3.437 384 HG21 THR 52 3HG2 THR 52 -14.799 -5.278 3.424 385 HG22 THR 52 1HG2 THR 52 -14.805 -5.087 5.194 386 HG23 THR 52 2HG2 THR 52 -14.391 -6.650 4.477 387 H GLU 53 H GLU 53 -11.452 -3.185 6.336 388 HA GLU 53 HA GLU 53 -13.915 -2.467 7.746 389 HB2 GLU 53 2HB GLU 53 -11.025 -2.722 8.674 390 HB3 GLU 53 3HB GLU 53 -12.399 -2.335 9.716 391 HG2 GLU 53 2HG GLU 53 -13.476 -4.501 8.684 392 HG3 GLU 53 3HG GLU 53 -11.854 -4.939 8.257 393 H ARG 54 H ARG 54 -11.191 -0.649 6.461 394 HA ARG 54 HA ARG 54 -12.299 1.867 7.656 395 HB2 ARG 54 2HB ARG 54 -9.502 1.268 6.659 396 HB3 ARG 54 3HB ARG 54 -10.011 2.802 7.320 397 HG2 ARG 54 2HG ARG 54 -10.358 0.356 9.064 398 HG3 ARG 54 3HG ARG 54 -8.751 1.015 8.815 399 HD2 ARG 54 2HD ARG 54 -9.860 1.897 10.854 400 HD3 ARG 54 3HD ARG 54 -9.327 3.136 9.724 401 HE ARG 54 HE ARG 54 -11.532 3.792 9.339 402 HH11 ARG 54 1HH2 ARG 54 -11.721 0.847 11.257 403 HH12 ARG 54 2HH2 ARG 54 -13.424 1.085 11.535 404 HH21 ARG 54 1HH1 ARG 54 -13.515 4.035 9.722 405 HH22 ARG 54 2HH1 ARG 54 -14.462 2.893 10.683 406 H ALA 55 H ALA 55 -13.137 0.471 5.078 407 HA ALA 55 HA ALA 55 -12.306 1.734 2.791 408 HB1 ALA 55 3HB ALA 55 -15.152 0.931 3.567 409 HB2 ALA 55 1HB ALA 55 -14.570 1.170 1.908 410 HB3 ALA 55 2HB ALA 55 -13.904 -0.143 2.897 411 H THR 56 H THR 56 -14.520 3.160 5.164 412 HA THR 56 HA THR 56 -15.324 5.443 3.566 413 HB THR 56 HB THR 56 -15.382 5.267 6.595 414 HG1 THR 56 HG1 THR 56 -17.251 4.144 4.779 415 HG21 THR 56 3HG2 THR 56 -17.566 6.436 6.316 416 HG22 THR 56 1HG2 THR 56 -17.279 6.531 4.562 417 HG23 THR 56 2HG2 THR 56 -16.217 7.391 5.696 418 H ASP 57 H ASP 57 -12.531 4.774 5.518 419 HA ASP 57 HA ASP 57 -11.739 7.644 5.788 420 HB2 ASP 57 2HB ASP 57 -10.708 5.100 7.117 421 HB3 ASP 57 3HB ASP 57 -10.150 6.722 7.466 422 H LEU 58 H LEU 58 -10.742 4.547 4.433 423 HA LEU 58 HA LEU 58 -8.191 5.606 3.336 424 HB2 LEU 58 2HB LEU 58 -7.875 4.974 5.637 425 HB3 LEU 58 3HB LEU 58 -8.717 3.467 5.427 426 HG LEU 58 HG LEU 58 -6.303 3.310 5.785 427 HD11 LEU 58 1HD1 LEU 58 -7.560 1.470 4.718 428 HD12 LEU 58 2HD1 LEU 58 -5.832 1.528 4.324 429 HD13 LEU 58 3HD1 LEU 58 -7.023 2.059 3.135 430 HD21 LEU 58 3HD2 LEU 58 -4.680 3.819 4.123 431 HD22 LEU 58 1HD2 LEU 58 -5.639 5.274 4.382 432 HD23 LEU 58 2HD2 LEU 58 -5.925 4.276 2.945 433 H THR 59 H THR 59 -7.493 4.592 1.524 434 HA THR 59 HA THR 59 -8.844 2.087 0.560 435 HB THR 59 HB THR 59 -7.753 4.396 -1.078 436 HG1 THR 59 HG1 THR 59 -9.969 4.241 -1.861 437 HG21 THR 59 3HG2 THR 59 -7.250 2.272 -2.253 438 HG22 THR 59 1HG2 THR 59 -8.530 3.174 -3.062 439 HG23 THR 59 2HG2 THR 59 -8.948 1.771 -2.063 440 H VAL 60 H VAL 60 -7.499 0.408 -0.077 441 HA VAL 60 HA VAL 60 -4.564 0.794 0.391 442 HB VAL 60 HB VAL 60 -6.123 -1.785 0.478 443 HG11 VAL 60 1HG1 VAL 60 -3.807 -2.130 -0.284 444 HG12 VAL 60 2HG1 VAL 60 -3.201 -1.213 1.118 445 HG13 VAL 60 3HG1 VAL 60 -4.063 -2.752 1.338 446 HG21 VAL 60 3HG2 VAL 60 -5.573 -1.773 2.911 447 HG22 VAL 60 1HG2 VAL 60 -4.917 -0.134 2.738 448 HG23 VAL 60 2HG2 VAL 60 -6.641 -0.443 2.460 449 H ALA 61 H ALA 61 -3.255 0.702 -1.269 450 HA ALA 61 HA ALA 61 -4.258 -0.160 -3.925 451 HB1 ALA 61 3HB ALA 61 -2.223 1.960 -3.179 452 HB2 ALA 61 1HB ALA 61 -2.769 1.573 -4.824 453 HB3 ALA 61 2HB ALA 61 -3.904 2.264 -3.642 454 H LYS 62 H LYS 62 -3.058 -1.411 -5.223 455 HA LYS 62 HA LYS 62 -0.711 -2.828 -4.037 456 HB2 LYS 62 2HB LYS 62 -2.669 -3.648 -6.229 457 HB3 LYS 62 3HB LYS 62 -1.403 -4.659 -5.559 458 HG2 LYS 62 2HG LYS 62 -3.872 -3.599 -4.097 459 HG3 LYS 62 3HG LYS 62 -3.589 -5.247 -4.630 460 HD2 LYS 62 2HD LYS 62 -2.031 -3.778 -2.446 461 HD3 LYS 62 3HD LYS 62 -3.264 -5.030 -2.235 462 HE2 LYS 62 2HE LYS 62 -1.873 -6.607 -3.568 463 HE3 LYS 62 3HE LYS 62 -0.586 -5.398 -3.668 464 HZ1 LYS 62 3HZ LYS 62 -0.397 -7.107 -1.845 465 HZ2 LYS 62 1HZ LYS 62 -1.619 -6.355 -1.066 466 HZ3 LYS 62 2HZ LYS 62 -0.178 -5.599 -1.349 467 H LEU 63 H LEU 63 1.231 -2.649 -4.831 468 HA LEU 63 HA LEU 63 1.579 -2.200 -7.751 469 HB2 LEU 63 2HB LEU 63 2.190 -0.165 -6.525 470 HB3 LEU 63 3HB LEU 63 3.299 -1.063 -5.509 471 HG LEU 63 HG LEU 63 4.315 0.310 -7.303 472 HD11 LEU 63 1HD1 LEU 63 5.472 -1.727 -6.303 473 HD12 LEU 63 2HD1 LEU 63 6.096 -1.089 -7.838 474 HD13 LEU 63 3HD1 LEU 63 5.105 -2.542 -7.832 475 HD21 LEU 63 3HD2 LEU 63 4.392 -0.485 -9.623 476 HD22 LEU 63 1HD2 LEU 63 2.758 -0.021 -9.127 477 HD23 LEU 63 2HD2 LEU 63 3.212 -1.737 -9.252 478 H ASP 64 H ASP 64 2.599 -3.771 -8.721 479 HA ASP 64 HA ASP 64 3.976 -5.869 -7.102 480 HB2 ASP 64 2HB ASP 64 2.070 -6.707 -8.347 481 HB3 ASP 64 3HB ASP 64 2.781 -6.125 -9.850 482 H VAL 65 H VAL 65 6.059 -5.817 -7.083 483 HA VAL 65 HA VAL 65 7.474 -3.837 -8.606 484 HB VAL 65 HB VAL 65 9.427 -4.424 -7.377 485 HG11 VAL 65 1HG1 VAL 65 7.705 -3.131 -6.198 486 HG12 VAL 65 2HG1 VAL 65 7.042 -4.631 -5.521 487 HG13 VAL 65 3HG1 VAL 65 8.683 -4.120 -5.099 488 HG21 VAL 65 3HG2 VAL 65 9.557 -6.302 -5.806 489 HG22 VAL 65 1HG2 VAL 65 7.987 -6.907 -6.372 490 HG23 VAL 65 2HG2 VAL 65 9.382 -6.874 -7.465 491 H ASP 66 H ASP 66 6.761 -7.060 -9.480 492 HA ASP 66 HA ASP 66 9.105 -7.286 -11.303 493 HB2 ASP 66 2HB ASP 66 8.536 -9.220 -9.875 494 HB3 ASP 66 3HB ASP 66 6.941 -9.303 -10.625 495 H THR 67 H THR 67 5.497 -7.071 -11.387 496 HA THR 67 HA THR 67 5.563 -7.011 -14.339 497 HB THR 67 HB THR 67 3.195 -6.915 -14.333 498 HG1 THR 67 HG1 THR 67 2.029 -6.822 -12.431 499 HG21 THR 67 3HG2 THR 67 4.251 -9.135 -13.928 500 HG22 THR 67 1HG2 THR 67 2.630 -8.999 -13.225 501 HG23 THR 67 2HG2 THR 67 4.061 -8.889 -12.178 502 H ASN 68 H ASN 68 5.447 -4.575 -11.795 503 HA ASN 68 HA ASN 68 5.929 -2.636 -13.989 504 HB2 ASN 68 2HB ASN 68 3.568 -2.351 -13.177 505 HB3 ASN 68 3HB ASN 68 4.208 -1.920 -11.591 506 HD21 ASN 68 1HD2 ASN 68 4.246 -1.015 -15.059 507 HD22 ASN 68 2HD2 ASN 68 4.682 0.660 -14.773 508 HA PRO 69 HA PRO 69 9.454 -2.509 -11.021 509 HB2 PRO 69 2HB PRO 69 10.840 -2.093 -13.660 510 HB3 PRO 69 3HB PRO 69 11.367 -3.056 -12.246 511 HG2 PRO 69 2HG PRO 69 10.361 -4.290 -14.438 512 HG3 PRO 69 3HG PRO 69 9.855 -4.828 -12.802 513 HD2 PRO 69 2HD PRO 69 8.397 -2.951 -14.692 514 HD3 PRO 69 3HD PRO 69 7.769 -4.367 -13.800 515 H GLU 70 H GLU 70 8.170 -0.417 -13.527 516 HA GLU 70 HA GLU 70 9.890 1.814 -13.254 517 HB2 GLU 70 2HB GLU 70 6.978 1.662 -14.118 518 HB3 GLU 70 3HB GLU 70 8.006 3.083 -14.311 519 HG2 GLU 70 2HG GLU 70 8.513 0.372 -15.586 520 HG3 GLU 70 3HG GLU 70 7.810 1.769 -16.388 521 H THR 71 H THR 71 6.774 1.207 -11.495 522 HA THR 71 HA THR 71 7.107 3.615 -9.881 523 HB THR 71 HB THR 71 5.598 1.259 -8.931 524 HG1 THR 71 HG1 THR 71 4.843 1.560 -11.038 525 HG21 THR 71 3HG2 THR 71 4.061 2.921 -8.024 526 HG22 THR 71 1HG2 THR 71 5.016 4.235 -8.750 527 HG23 THR 71 2HG2 THR 71 5.694 3.235 -7.449 528 H ALA 72 H ALA 72 8.137 0.221 -9.555 529 HA ALA 72 HA ALA 72 8.895 0.289 -6.803 530 HB1 ALA 72 3HB ALA 72 10.036 -1.404 -9.070 531 HB2 ALA 72 1HB ALA 72 10.101 -1.771 -7.346 532 HB3 ALA 72 2HB ALA 72 8.539 -1.761 -8.183 533 H ARG 73 H ARG 73 10.794 1.072 -9.765 534 HA ARG 73 HA ARG 73 13.065 2.028 -8.175 535 HB2 ARG 73 2HB ARG 73 14.126 2.617 -10.187 536 HB3 ARG 73 3HB ARG 73 13.355 1.051 -10.425 537 HG2 ARG 73 2HG ARG 73 11.500 2.185 -11.653 538 HG3 ARG 73 3HG ARG 73 12.324 3.739 -11.446 539 HD2 ARG 73 2HD ARG 73 14.306 2.764 -12.679 540 HD3 ARG 73 3HD ARG 73 13.364 1.296 -12.940 541 HE ARG 73 HE ARG 73 12.069 2.351 -14.561 542 HH11 ARG 73 1HH1 ARG 73 14.139 4.799 -13.108 543 HH12 ARG 73 2HH1 ARG 73 13.701 5.989 -14.303 544 HH21 ARG 73 2HH2 ARG 73 11.471 3.941 -15.953 545 HH22 ARG 73 1HH2 ARG 73 12.260 5.502 -15.893 546 H ASN 74 H ASN 74 10.129 3.569 -9.380 547 HA ASN 74 HA ASN 74 10.885 6.279 -9.089 548 HB2 ASN 74 2HB ASN 74 8.610 5.139 -9.919 549 HB3 ASN 74 3HB ASN 74 8.137 5.284 -8.253 550 HD21 ASN 74 1HD2 ASN 74 7.142 6.692 -10.751 551 HD22 ASN 74 2HD2 ASN 74 7.234 8.387 -10.274 552 H PHE 75 H PHE 75 9.555 4.037 -6.642 553 HA PHE 75 HA PHE 75 10.308 5.892 -4.443 554 HB2 PHE 75 2HB PHE 75 8.465 3.495 -4.529 555 HB3 PHE 75 3HB PHE 75 8.890 4.355 -3.053 556 HD1 PHE 75 HD1 PHE 75 8.146 6.642 -2.603 557 HD2 PHE 75 HD2 PHE 75 7.028 4.607 -6.230 558 HE1 PHE 75 HE1 PHE 75 6.459 8.404 -3.072 559 HE2 PHE 75 HE2 PHE 75 5.333 6.366 -6.698 560 HZ PHE 75 HZ PHE 75 5.062 8.275 -5.127 561 H GLN 76 H GLN 76 12.098 3.882 -6.048 562 HA GLN 76 HA GLN 76 13.827 2.467 -5.689 563 HB2 GLN 76 2HB GLN 76 14.479 4.855 -5.117 564 HB3 GLN 76 3HB GLN 76 14.442 4.376 -3.416 565 HG2 GLN 76 2HG GLN 76 16.175 2.614 -3.936 566 HG3 GLN 76 3HG GLN 76 16.168 3.136 -5.619 567 HE21 GLN 76 1HE2 GLN 76 18.606 3.199 -4.678 568 HE22 GLN 76 2HE2 GLN 76 19.091 4.813 -4.175 569 H VAL 77 H VAL 77 11.887 0.976 -4.811 570 HA VAL 77 HA VAL 77 12.164 0.219 -2.007 571 HB VAL 77 HB VAL 77 10.004 0.186 -3.284 572 HG11 VAL 77 1HG1 VAL 77 9.381 -1.685 -4.633 573 HG12 VAL 77 2HG1 VAL 77 10.863 -1.001 -5.327 574 HG13 VAL 77 3HG1 VAL 77 10.940 -2.494 -4.376 575 HG21 VAL 77 3HG2 VAL 77 9.133 -1.760 -2.119 576 HG22 VAL 77 1HG2 VAL 77 10.758 -2.426 -1.920 577 HG23 VAL 77 2HG2 VAL 77 10.302 -0.922 -1.085 578 H VAL 78 H VAL 78 13.153 -1.421 -1.108 579 HA VAL 78 HA VAL 78 15.000 -3.093 -2.779 580 HB VAL 78 HB VAL 78 16.609 -2.933 -0.930 581 HG11 VAL 78 1HG1 VAL 78 17.383 -0.685 -1.393 582 HG12 VAL 78 2HG1 VAL 78 16.740 -1.411 -2.875 583 HG13 VAL 78 3HG1 VAL 78 15.782 -0.207 -1.988 584 HG21 VAL 78 3HG2 VAL 78 16.400 -1.259 0.823 585 HG22 VAL 78 1HG2 VAL 78 14.788 -0.792 0.258 586 HG23 VAL 78 2HG2 VAL 78 15.064 -2.408 0.952 587 H SER 79 H SER 79 12.522 -3.307 -0.433 588 HA SER 79 HA SER 79 13.044 -6.215 -0.036 589 HB2 SER 79 2HB SER 79 12.173 -4.240 2.114 590 HB3 SER 79 3HB SER 79 12.214 -6.004 2.288 591 HG SER 79 HG SER 79 14.110 -5.017 3.125 592 H ILE 80 H ILE 80 11.152 -7.491 0.194 593 HA ILE 80 HA ILE 80 8.571 -6.091 -0.212 594 HB ILE 80 HB ILE 80 7.768 -7.951 -1.612 595 HG12 ILE 80 2HG1 ILE 80 10.706 -8.692 -1.966 596 HG13 ILE 80 3HG1 ILE 80 9.534 -9.637 -1.044 597 HG21 ILE 80 1HG2 ILE 80 8.496 -5.698 -2.457 598 HG22 ILE 80 2HG2 ILE 80 10.081 -6.396 -2.835 599 HG23 ILE 80 3HG2 ILE 80 8.621 -6.987 -3.655 600 HD11 ILE 80 3HD1 ILE 80 9.439 -9.102 -4.035 601 HD12 ILE 80 1HD1 ILE 80 9.761 -10.636 -3.214 602 HD13 ILE 80 2HD1 ILE 80 8.150 -9.903 -3.103 603 HA PRO 81 HA PRO 81 6.419 -6.306 0.018 604 HB2 PRO 81 2HB PRO 81 4.521 -5.929 1.902 605 HB3 PRO 81 3HB PRO 81 4.552 -7.397 0.873 606 HG2 PRO 81 2HG PRO 81 5.611 -7.056 3.691 607 HG3 PRO 81 3HG PRO 81 4.580 -8.373 3.060 608 HD2 PRO 81 2HD PRO 81 7.310 -8.587 3.279 609 HD3 PRO 81 3HD PRO 81 6.382 -9.404 1.988 610 H THR 82 H THR 82 6.306 -4.038 0.295 611 HA THR 82 HA THR 82 7.211 -2.830 2.866 612 HB THR 82 HB THR 82 8.265 -2.046 0.128 613 HG1 THR 82 HG1 THR 82 9.664 -3.407 0.921 614 HG21 THR 82 3HG2 THR 82 8.510 -0.581 2.794 615 HG22 THR 82 1HG2 THR 82 7.754 0.036 1.308 616 HG23 THR 82 2HG2 THR 82 9.501 -0.250 1.358 617 H LEU 83 H LEU 83 5.783 -1.420 3.578 618 HA LEU 83 HA LEU 83 3.618 -0.511 1.749 619 HB2 LEU 83 2HB LEU 83 3.600 -1.001 4.750 620 HB3 LEU 83 3HB LEU 83 2.309 -0.233 3.837 621 HG LEU 83 HG LEU 83 2.251 -2.390 2.403 622 HD11 LEU 83 1HD1 LEU 83 3.703 -3.453 4.877 623 HD12 LEU 83 2HD1 LEU 83 4.246 -3.580 3.190 624 HD13 LEU 83 3HD1 LEU 83 2.825 -4.463 3.708 625 HD21 LEU 83 3HD2 LEU 83 0.498 -1.701 4.005 626 HD22 LEU 83 1HD2 LEU 83 1.396 -2.500 5.320 627 HD23 LEU 83 2HD2 LEU 83 0.713 -3.455 3.986 628 H ILE 84 H ILE 84 2.978 1.596 1.711 629 HA ILE 84 HA ILE 84 4.267 3.558 3.527 630 HB ILE 84 HB ILE 84 5.512 3.847 1.504 631 HG12 ILE 84 2HG1 ILE 84 3.398 6.042 1.575 632 HG13 ILE 84 3HG1 ILE 84 4.674 5.857 2.779 633 HG21 ILE 84 1HG2 ILE 84 2.872 4.096 0.021 634 HG22 ILE 84 2HG2 ILE 84 4.484 4.362 -0.683 635 HG23 ILE 84 3HG2 ILE 84 4.031 2.758 -0.121 636 HD11 ILE 84 3HD1 ILE 84 5.258 7.563 1.254 637 HD12 ILE 84 1HD1 ILE 84 6.384 6.202 1.049 638 HD13 ILE 84 2HD1 ILE 84 5.086 6.490 -0.145 639 H LEU 85 H LEU 85 2.975 5.181 4.227 640 HA LEU 85 HA LEU 85 0.126 5.189 3.315 641 HB2 LEU 85 2HB LEU 85 0.378 4.608 5.690 642 HB3 LEU 85 3HB LEU 85 1.362 6.047 5.940 643 HG LEU 85 HG LEU 85 -0.548 7.488 5.369 644 HD11 LEU 85 1HD1 LEU 85 -2.121 4.881 5.216 645 HD12 LEU 85 2HD1 LEU 85 -1.900 6.079 3.928 646 HD13 LEU 85 3HD1 LEU 85 -2.853 6.498 5.342 647 HD21 LEU 85 3HD2 LEU 85 -1.850 7.034 7.440 648 HD22 LEU 85 1HD2 LEU 85 -0.109 6.852 7.720 649 HD23 LEU 85 2HD2 LEU 85 -1.131 5.413 7.536 650 H PHE 86 H PHE 86 -0.530 6.867 2.221 651 HA PHE 86 HA PHE 86 0.844 9.508 2.483 652 HB2 PHE 86 2HB PHE 86 -1.004 8.537 0.291 653 HB3 PHE 86 3HB PHE 86 -0.327 10.139 0.408 654 HD1 PHE 86 HD2 PHE 86 0.640 6.526 -0.010 655 HD2 PHE 86 HD1 PHE 86 1.672 10.648 -0.734 656 HE1 PHE 86 HE2 PHE 86 2.516 5.813 -1.470 657 HE2 PHE 86 HE1 PHE 86 3.574 9.927 -2.146 658 HZ PHE 86 HZ PHE 86 3.999 7.505 -2.515 659 H LYS 87 H LYS 87 -0.398 11.261 3.015 660 HA LYS 87 HA LYS 87 -3.256 10.840 3.824 661 HB2 LYS 87 2HB LYS 87 -1.674 11.506 5.672 662 HB3 LYS 87 3HB LYS 87 -1.309 12.985 4.769 663 HG2 LYS 87 2HG LYS 87 -3.843 13.431 4.771 664 HG3 LYS 87 3HG LYS 87 -3.987 12.102 5.928 665 HD2 LYS 87 2HD LYS 87 -2.368 13.362 7.422 666 HD3 LYS 87 3HD LYS 87 -2.419 14.709 6.281 667 HE2 LYS 87 2HE LYS 87 -4.857 13.498 7.656 668 HE3 LYS 87 3HE LYS 87 -3.986 14.899 8.275 669 HZ1 LYS 87 3HZ LYS 87 -5.304 14.834 5.585 670 HZ2 LYS 87 1HZ LYS 87 -4.560 16.115 6.266 671 HZ3 LYS 87 2HZ LYS 87 -5.934 15.531 6.922 672 H ASP 88 H ASP 88 -4.558 11.562 2.273 673 HA ASP 88 HA ASP 88 -5.412 12.701 0.510 674 HB2 ASP 88 2HB ASP 88 -4.221 15.105 1.929 675 HB3 ASP 88 3HB ASP 88 -5.575 15.110 0.795 676 H GLY 89 H GLY 89 -2.942 11.527 -0.160 677 HA2 GLY 89 2HA GLY 89 -1.643 11.411 -2.023 678 HA3 GLY 89 3HA GLY 89 -2.222 12.984 -2.559 679 H GLN 90 H GLN 90 -0.774 12.979 0.627 680 HA GLN 90 HA GLN 90 1.949 13.505 -0.485 681 HB2 GLN 90 2HB GLN 90 0.558 14.951 1.795 682 HB3 GLN 90 3HB GLN 90 2.273 15.108 1.423 683 HG2 GLN 90 2HG GLN 90 0.041 15.843 -0.529 684 HG3 GLN 90 3HG GLN 90 0.828 16.972 0.562 685 HE21 GLN 90 1HE2 GLN 90 1.422 14.865 -2.298 686 HE22 GLN 90 2HE2 GLN 90 2.860 15.759 -2.793 687 HA PRO 91 HA PRO 91 2.896 10.042 2.023 688 HB2 PRO 91 2HB PRO 91 5.620 10.113 2.190 689 HB3 PRO 91 3HB PRO 91 4.730 9.771 0.673 690 HG2 PRO 91 2HG PRO 91 5.874 12.430 1.584 691 HG3 PRO 91 3HG PRO 91 6.075 11.623 -0.005 692 HD2 PRO 91 2HD PRO 91 4.196 13.550 0.384 693 HD3 PRO 91 3HD PRO 91 3.858 12.126 -0.647 694 H VAL 92 H VAL 92 2.963 9.489 4.152 695 HA VAL 92 HA VAL 92 3.942 11.519 6.139 696 HB VAL 92 HB VAL 92 2.184 10.569 7.713 697 HG11 VAL 92 1HG1 VAL 92 1.252 12.155 5.278 698 HG12 VAL 92 2HG1 VAL 92 0.482 12.116 6.881 699 HG13 VAL 92 3HG1 VAL 92 2.091 12.825 6.693 700 HG21 VAL 92 3HG2 VAL 92 1.493 8.602 6.333 701 HG22 VAL 92 1HG2 VAL 92 0.152 9.676 6.761 702 HG23 VAL 92 2HG2 VAL 92 0.821 9.720 5.126 703 H LYS 93 H LYS 93 3.791 8.011 5.472 704 HA LYS 93 HA LYS 93 6.197 7.617 7.072 705 HB2 LYS 93 2HB LYS 93 5.200 5.978 8.661 706 HB3 LYS 93 3HB LYS 93 4.655 7.630 8.915 707 HG2 LYS 93 2HG LYS 93 2.523 7.108 7.710 708 HG3 LYS 93 3HG LYS 93 3.084 5.446 7.468 709 HD2 LYS 93 2HD LYS 93 1.515 5.553 9.291 710 HD3 LYS 93 3HD LYS 93 3.120 5.098 9.895 711 HE2 LYS 93 2HE LYS 93 3.493 7.422 10.670 712 HE3 LYS 93 3HE LYS 93 1.925 7.914 10.005 713 HZ1 LYS 93 3HZ LYS 93 0.856 6.408 11.538 714 HZ2 LYS 93 1HZ LYS 93 1.824 7.425 12.402 715 HZ3 LYS 93 2HZ LYS 93 2.301 5.858 12.112 716 H ARG 94 H ARG 94 7.195 5.630 6.802 717 HA ARG 94 HA ARG 94 6.026 3.708 4.835 718 HB2 ARG 94 2HB ARG 94 7.637 5.356 3.801 719 HB3 ARG 94 3HB ARG 94 8.914 4.671 4.812 720 HG2 ARG 94 2HG ARG 94 8.612 2.467 3.706 721 HG3 ARG 94 3HG ARG 94 7.243 3.118 2.785 722 HD2 ARG 94 2HD ARG 94 8.828 4.866 1.843 723 HD3 ARG 94 3HD ARG 94 10.157 3.966 2.601 724 HE ARG 94 HE ARG 94 8.586 2.180 1.009 725 HH11 ARG 94 1HH2 ARG 94 10.877 4.808 0.509 726 HH12 ARG 94 2HH2 ARG 94 11.239 4.254 -1.119 727 HH21 ARG 94 1HH1 ARG 94 9.130 1.614 -1.117 728 HH22 ARG 94 2HH1 ARG 94 10.350 2.571 -1.941 729 H ILE 95 H ILE 95 6.437 1.600 5.134 730 HA ILE 95 HA ILE 95 8.037 0.696 7.472 731 HB ILE 95 HB ILE 95 5.820 -0.986 7.524 732 HG12 ILE 95 2HG1 ILE 95 4.662 1.826 7.413 733 HG13 ILE 95 3HG1 ILE 95 4.552 0.674 6.079 734 HG21 ILE 95 1HG2 ILE 95 5.435 0.008 9.722 735 HG22 ILE 95 2HG2 ILE 95 7.164 -0.146 9.394 736 HG23 ILE 95 3HG2 ILE 95 6.376 1.442 9.257 737 HD11 ILE 95 3HD1 ILE 95 3.299 -0.900 7.479 738 HD12 ILE 95 1HD1 ILE 95 3.362 0.247 8.843 739 HD13 ILE 95 2HD1 ILE 95 2.496 0.673 7.359 740 H VAL 96 H VAL 96 9.359 -0.886 6.981 741 HA VAL 96 HA VAL 96 8.954 -2.496 4.521 742 HB VAL 96 HB VAL 96 11.222 -3.321 4.896 743 HG11 VAL 96 1HG1 VAL 96 12.399 -1.255 4.328 744 HG12 VAL 96 2HG1 VAL 96 10.839 -1.331 3.502 745 HG13 VAL 96 3HG1 VAL 96 11.039 -0.280 4.921 746 HG21 VAL 96 3HG2 VAL 96 11.395 -1.335 7.207 747 HG22 VAL 96 1HG2 VAL 96 11.388 -3.106 7.367 748 HG23 VAL 96 2HG2 VAL 96 12.719 -2.300 6.531 749 H GLY 97 H GLY 97 8.853 -4.720 4.464 750 HA2 GLY 97 2HA GLY 97 8.713 -6.910 5.232 751 HA3 GLY 97 3HA GLY 97 8.826 -6.366 6.906 752 H ALA 98 H ALA 98 7.078 -8.177 6.706 753 HA ALA 98 HA ALA 98 4.405 -7.236 5.985 754 HB1 ALA 98 3HB ALA 98 4.924 -9.550 5.576 755 HB2 ALA 98 1HB ALA 98 5.391 -9.818 7.275 756 HB3 ALA 98 2HB ALA 98 3.699 -9.499 6.843 757 H LYS 99 H LYS 99 2.586 -7.348 7.398 758 HA LYS 99 HA LYS 99 3.114 -6.133 10.081 759 HB2 LYS 99 2HB LYS 99 1.109 -5.160 7.993 760 HB3 LYS 99 3HB LYS 99 1.472 -4.392 9.535 761 HG2 LYS 99 2HG LYS 99 3.385 -4.634 7.163 762 HG3 LYS 99 3HG LYS 99 2.463 -3.215 7.586 763 HD2 LYS 99 2HD LYS 99 3.938 -2.543 9.118 764 HD3 LYS 99 3HD LYS 99 4.023 -4.106 9.905 765 HE2 LYS 99 2HE LYS 99 5.529 -4.834 7.957 766 HE3 LYS 99 3HE LYS 99 5.581 -3.148 7.462 767 HZ1 LYS 99 3HZ LYS 99 6.539 -4.280 10.041 768 HZ2 LYS 99 1HZ LYS 99 6.516 -2.672 9.729 769 HZ3 LYS 99 2HZ LYS 99 7.468 -3.672 8.839 770 H GLY 100 H GLY 100 1.412 -6.256 11.591 771 HA2 GLY 100 2HA GLY 100 -0.751 -8.249 11.088 772 HA3 GLY 100 3HA GLY 100 -0.210 -7.688 12.674 773 H LYS 101 H LYS 101 -2.935 -7.549 11.543 774 HA LYS 101 HA LYS 101 -3.626 -5.038 10.524 775 HB2 LYS 101 2HB LYS 101 -4.946 -7.218 10.729 776 HB3 LYS 101 3HB LYS 101 -5.306 -6.756 12.401 777 HG2 LYS 101 2HG LYS 101 -6.448 -4.708 11.592 778 HG3 LYS 101 3HG LYS 101 -5.906 -5.061 9.939 779 HD2 LYS 101 2HD LYS 101 -8.177 -5.731 10.086 780 HD3 LYS 101 3HD LYS 101 -7.167 -7.197 9.994 781 HE2 LYS 101 2HE LYS 101 -7.446 -7.642 12.344 782 HE3 LYS 101 3HE LYS 101 -8.153 -6.045 12.631 783 HZ1 LYS 101 3HZ LYS 101 -9.862 -7.795 12.491 784 HZ2 LYS 101 1HZ LYS 101 -9.400 -8.161 10.955 785 HZ3 LYS 101 2HZ LYS 101 -10.060 -6.694 11.288 786 H ALA 102 H ALA 102 -2.972 -5.867 13.874 787 HA ALA 102 HA ALA 102 -4.202 -3.508 15.031 788 HB1 ALA 102 3HB ALA 102 -2.965 -4.181 17.056 789 HB2 ALA 102 1HB ALA 102 -3.791 -5.566 16.320 790 HB3 ALA 102 2HB ALA 102 -2.035 -5.366 16.115 791 H ALA 103 H ALA 103 -0.849 -4.277 13.993 792 HA ALA 103 HA ALA 103 0.267 -1.729 14.766 793 HB1 ALA 103 3HB ALA 103 2.194 -2.479 13.424 794 HB2 ALA 103 1HB ALA 103 1.623 -3.770 14.497 795 HB3 ALA 103 2HB ALA 103 1.236 -3.818 12.761 796 H LEU 104 H LEU 104 -0.871 -3.032 11.603 797 HA LEU 104 HA LEU 104 -0.343 -0.689 10.061 798 HB2 LEU 104 2HB LEU 104 -0.849 -3.138 9.414 799 HB3 LEU 104 3HB LEU 104 -2.547 -2.694 9.518 800 HG LEU 104 HG LEU 104 -2.269 -1.077 7.694 801 HD11 LEU 104 1HD1 LEU 104 0.016 -0.999 6.501 802 HD12 LEU 104 2HD1 LEU 104 0.696 -1.730 7.961 803 HD13 LEU 104 3HD1 LEU 104 -0.084 -0.130 8.021 804 HD21 LEU 104 3HD2 LEU 104 -2.579 -3.476 7.123 805 HD22 LEU 104 1HD2 LEU 104 -0.817 -3.698 7.087 806 HD23 LEU 104 2HD2 LEU 104 -1.612 -2.658 5.896 807 H LEU 105 H LEU 105 -3.368 -1.664 11.785 808 HA LEU 105 HA LEU 105 -4.814 0.722 11.133 809 HB2 LEU 105 2HB LEU 105 -5.862 -1.390 11.874 810 HB3 LEU 105 3HB LEU 105 -5.091 -1.206 13.447 811 HG LEU 105 HG LEU 105 -6.453 0.780 13.930 812 HD11 LEU 105 1HD1 LEU 105 -6.775 1.709 11.669 813 HD12 LEU 105 2HD1 LEU 105 -8.326 1.408 12.449 814 HD13 LEU 105 3HD1 LEU 105 -7.730 0.279 11.204 815 HD21 LEU 105 3HD2 LEU 105 -7.317 -1.460 14.490 816 HD22 LEU 105 1HD2 LEU 105 -8.116 -1.556 12.905 817 HD23 LEU 105 2HD2 LEU 105 -8.628 -0.337 14.095 818 H ARG 106 H ARG 106 -2.592 -0.003 13.916 819 HA ARG 106 HA ARG 106 -3.184 2.475 15.252 820 HB2 ARG 106 2HB ARG 106 -2.104 0.569 16.378 821 HB3 ARG 106 3HB ARG 106 -0.656 0.800 15.397 822 HG2 ARG 106 2HG ARG 106 -0.384 1.770 17.639 823 HG3 ARG 106 3HG ARG 106 -0.277 3.009 16.399 824 HD2 ARG 106 2HD ARG 106 -1.542 3.850 18.280 825 HD3 ARG 106 3HD ARG 106 -2.609 3.729 16.893 826 HE ARG 106 HE ARG 106 -2.471 1.699 19.113 827 HH11 ARG 106 1HH2 ARG 106 -4.598 3.517 16.912 828 HH12 ARG 106 2HH2 ARG 106 -6.003 2.833 17.661 829 HH21 ARG 106 1HH1 ARG 106 -4.335 0.885 19.921 830 HH22 ARG 106 2HH1 ARG 106 -5.867 1.391 19.277 831 H GLU 107 H GLU 107 -0.633 1.633 12.893 832 HA GLU 107 HA GLU 107 0.525 4.232 12.684 833 HB2 GLU 107 2HB GLU 107 0.127 2.084 10.548 834 HB3 GLU 107 3HB GLU 107 1.129 3.501 10.322 835 HG2 GLU 107 2HG GLU 107 1.597 1.440 12.427 836 HG3 GLU 107 3HG GLU 107 2.330 1.435 10.829 837 H LEU 108 H LEU 108 -2.342 2.854 11.115 838 HA LEU 108 HA LEU 108 -2.798 5.143 9.475 839 HB2 LEU 108 2HB LEU 108 -3.468 2.697 9.146 840 HB3 LEU 108 3HB LEU 108 -4.721 2.925 10.335 841 HG LEU 108 HG LEU 108 -5.294 2.975 7.857 842 HD11 LEU 108 1HD1 LEU 108 -6.290 5.355 9.459 843 HD12 LEU 108 2HD1 LEU 108 -6.861 3.681 9.642 844 HD13 LEU 108 3HD1 LEU 108 -7.098 4.540 8.113 845 HD21 LEU 108 3HD2 LEU 108 -5.155 5.109 6.677 846 HD22 LEU 108 1HD2 LEU 108 -3.533 4.531 7.099 847 HD23 LEU 108 2HD2 LEU 108 -4.299 5.852 8.018 848 H SER 109 H SER 109 -4.255 4.156 12.582 849 HA SER 109 HA SER 109 -6.041 6.436 12.741 850 HB2 SER 109 2HB SER 109 -6.394 5.708 15.092 851 HB3 SER 109 3HB SER 109 -6.699 4.454 13.882 852 HG SER 109 HG SER 109 -4.814 3.476 14.371 853 H ASP 110 H ASP 110 -2.663 6.046 13.464 854 HA ASP 110 HA ASP 110 -2.295 8.395 15.065 855 HB2 ASP 110 2HB ASP 110 -0.603 6.595 14.511 856 HB3 ASP 110 3HB ASP 110 -0.523 7.277 12.881 857 H VAL 111 H VAL 111 -3.484 8.151 11.836 858 HA VAL 111 HA VAL 111 -2.831 10.984 11.177 859 HB VAL 111 HB VAL 111 -3.354 8.716 9.229 860 HG11 VAL 111 1HG1 VAL 111 -2.378 10.266 7.570 861 HG12 VAL 111 2HG1 VAL 111 -3.869 10.895 8.252 862 HG13 VAL 111 3HG1 VAL 111 -2.296 11.533 8.814 863 HG21 VAL 111 3HG2 VAL 111 -1.209 8.261 10.321 864 HG22 VAL 111 1HG2 VAL 111 -0.889 8.914 8.719 865 HG23 VAL 111 2HG2 VAL 111 -0.715 9.961 10.139 866 H VAL 112 H VAL 112 -4.443 12.199 10.160 867 HA VAL 112 HA VAL 112 -7.132 11.580 11.209 868 HB VAL 112 HB VAL 112 -6.095 14.194 10.069 869 HG11 VAL 112 1HG1 VAL 112 -7.940 15.214 11.335 870 HG12 VAL 112 2HG1 VAL 112 -8.578 14.063 10.166 871 HG13 VAL 112 3HG1 VAL 112 -8.482 13.616 11.884 872 HG21 VAL 112 3HG2 VAL 112 -5.878 14.902 12.452 873 HG22 VAL 112 1HG2 VAL 112 -6.221 13.236 12.964 874 HG23 VAL 112 2HG2 VAL 112 -4.749 13.614 12.043 875 HA PRO 113 HA PRO 113 -8.639 10.782 7.007 876 HB2 PRO 113 2HB PRO 113 -11.334 10.703 7.436 877 HB3 PRO 113 3HB PRO 113 -10.221 9.411 7.978 878 HG2 PRO 113 2HG PRO 113 -11.275 11.753 9.602 879 HG3 PRO 113 3HG PRO 113 -11.289 10.012 10.041 880 HD2 PRO 113 2HD PRO 113 -9.351 11.680 10.929 881 HD3 PRO 113 3HD PRO 113 -8.959 10.004 10.447 882 H ASN 114 H ASN 114 -10.100 11.799 5.373 883 HA ASN 114 HA ASN 114 -9.321 14.503 5.111 884 HB2 ASN 114 2HB ASN 114 -9.647 12.853 3.281 885 HB3 ASN 114 3HB ASN 114 -11.395 12.931 3.514 886 HD21 ASN 114 2HD2 ASN 114 -8.552 14.620 2.371 887 HD22 ASN 114 1HD2 ASN 114 -9.453 15.785 1.406 888 H LEU 115 H LEU 115 -12.578 13.202 5.790 889 HA LEU 115 HA LEU 115 -13.517 15.899 6.652 890 HB2 LEU 115 2HB LEU 115 -13.904 15.457 4.201 891 HB3 LEU 115 3HB LEU 115 -14.894 14.070 4.636 892 HG LEU 115 HG LEU 115 -16.576 15.558 5.656 893 HD11 LEU 115 1HD1 LEU 115 -14.705 17.822 4.820 894 HD12 LEU 115 2HD1 LEU 115 -15.175 17.402 6.484 895 HD13 LEU 115 3HD1 LEU 115 -16.386 18.028 5.364 896 HD21 LEU 115 3HD2 LEU 115 -15.714 16.492 2.894 897 HD22 LEU 115 1HD2 LEU 115 -17.332 16.662 3.612 898 HD23 LEU 115 2HD2 LEU 115 -16.692 15.051 3.251 899 H ASN 116 H ASN 116 -13.361 12.641 7.455 900 HA ASN 116 HA ASN 116 -16.059 12.217 8.428 901 HB2 ASN 116 2HB ASN 116 -13.532 10.568 8.825 902 HB3 ASN 116 3HB ASN 116 -15.161 10.044 9.201 903 HD21 ASN 116 1HD2 ASN 116 -13.518 8.552 7.540 904 HD22 ASN 116 2HD2 ASN 116 -14.157 8.639 5.894 Start of MODEL 3 1 H1 MET 1 1H MET 1 -6.924 -12.806 -1.307 2 HA MET 1 HA MET 1 -8.268 -14.760 -0.921 3 HB2 MET 1 2HB MET 1 -9.026 -12.367 0.819 4 HB3 MET 1 3HB MET 1 -9.387 -14.046 1.217 5 HG2 MET 1 2HG MET 1 -6.614 -12.850 0.900 6 HG3 MET 1 3HG MET 1 -7.402 -13.347 2.393 7 HE1 MET 1 3HE MET 1 -5.175 -14.712 3.014 8 HE2 MET 1 1HE MET 1 -4.450 -15.935 1.950 9 HE3 MET 1 2HE MET 1 -4.446 -14.227 1.462 10 H THR 2 H THR 2 -10.539 -15.491 -0.249 11 HA THR 2 HA THR 2 -12.371 -14.716 -2.399 12 HB THR 2 HB THR 2 -13.748 -16.647 -1.485 13 HG1 THR 2 HG1 THR 2 -12.827 -16.787 0.576 14 HG21 THR 2 3HG2 THR 2 -12.276 -18.349 -2.459 15 HG22 THR 2 1HG2 THR 2 -10.890 -17.240 -2.372 16 HG23 THR 2 2HG2 THR 2 -12.261 -16.877 -3.445 17 H ASP 3 H ASP 3 -15.000 -13.199 -0.468 18 HA ASP 3 HA ASP 3 -14.426 -14.526 -3.022 19 HB2 ASP 3 2HB ASP 3 -16.724 -14.150 -2.215 20 HB3 ASP 3 3HB ASP 3 -16.457 -12.409 -2.283 21 H SER 4 H SER 4 -13.408 -13.629 -4.789 22 HA SER 4 HA SER 4 -11.539 -11.541 -4.287 23 HB2 SER 4 2HB SER 4 -10.893 -11.906 -6.662 24 HB3 SER 4 3HB SER 4 -10.965 -13.386 -5.693 25 HG SER 4 HG SER 4 -11.983 -13.625 -7.751 26 H GLU 5 H GLU 5 -14.800 -11.248 -5.433 27 HA GLU 5 HA GLU 5 -14.251 -8.517 -6.507 28 HB2 GLU 5 2HB GLU 5 -16.772 -10.201 -6.661 29 HB3 GLU 5 3HB GLU 5 -16.561 -8.589 -7.335 30 HG2 GLU 5 2HG GLU 5 -14.705 -9.457 -8.730 31 HG3 GLU 5 3HG GLU 5 -15.086 -11.082 -8.164 32 H LYS 6 H LYS 6 -14.921 -9.859 -3.545 33 HA LYS 6 HA LYS 6 -16.496 -7.502 -2.604 34 HB2 LYS 6 2HB LYS 6 -15.892 -10.188 -1.339 35 HB3 LYS 6 3HB LYS 6 -16.726 -8.863 -0.507 36 HG2 LYS 6 2HG LYS 6 -18.461 -8.864 -2.327 37 HG3 LYS 6 3HG LYS 6 -17.689 -10.307 -3.013 38 HD2 LYS 6 2HD LYS 6 -18.038 -11.472 -0.803 39 HD3 LYS 6 3HD LYS 6 -18.933 -10.065 -0.229 40 HE2 LYS 6 2HE LYS 6 -19.667 -11.741 -2.678 41 HE3 LYS 6 3HE LYS 6 -20.359 -11.961 -1.070 42 HZ1 LYS 6 3HZ LYS 6 -21.233 -9.687 -1.198 43 HZ2 LYS 6 1HZ LYS 6 -21.800 -10.589 -2.431 44 HZ3 LYS 6 2HZ LYS 6 -20.624 -9.494 -2.705 45 H SER 7 H SER 7 -13.307 -8.746 -2.464 46 HA SER 7 HA SER 7 -12.368 -7.128 -0.236 47 HB2 SER 7 2HB SER 7 -10.838 -8.347 -2.565 48 HB3 SER 7 3HB SER 7 -10.109 -7.551 -1.158 49 HG SER 7 HG SER 7 -10.139 -9.732 -0.804 50 H ALA 8 H ALA 8 -12.055 -4.981 -0.187 51 HA ALA 8 HA ALA 8 -12.509 -3.464 -2.650 52 HB1 ALA 8 3HB ALA 8 -12.396 -2.531 0.222 53 HB2 ALA 8 1HB ALA 8 -13.085 -1.656 -1.156 54 HB3 ALA 8 2HB ALA 8 -13.850 -3.154 -0.592 55 H THR 9 H THR 9 -9.676 -4.564 -1.972 56 HA THR 9 HA THR 9 -8.064 -2.085 -1.923 57 HB THR 9 HB THR 9 -7.249 -4.083 -0.751 58 HG1 THR 9 HG1 THR 9 -5.165 -3.905 -1.584 59 HG21 THR 9 3HG2 THR 9 -6.269 -5.953 -1.973 60 HG22 THR 9 1HG2 THR 9 -6.778 -5.264 -3.525 61 HG23 THR 9 2HG2 THR 9 -7.990 -5.850 -2.369 62 H ILE 10 H ILE 10 -6.605 -1.483 -3.624 63 HA ILE 10 HA ILE 10 -7.555 -2.259 -6.357 64 HB ILE 10 HB ILE 10 -7.243 0.034 -7.105 65 HG12 ILE 10 2HG1 ILE 10 -6.855 0.740 -4.161 66 HG13 ILE 10 3HG1 ILE 10 -5.640 0.857 -5.437 67 HG21 ILE 10 1HG2 ILE 10 -9.215 -0.148 -4.789 68 HG22 ILE 10 2HG2 ILE 10 -9.358 0.841 -6.258 69 HG23 ILE 10 3HG2 ILE 10 -9.451 -0.915 -6.373 70 HD11 ILE 10 3HD1 ILE 10 -7.057 2.549 -6.598 71 HD12 ILE 10 1HD1 ILE 10 -8.163 2.527 -5.201 72 HD13 ILE 10 2HD1 ILE 10 -6.486 3.049 -4.992 73 H LYS 11 H LYS 11 -6.165 -2.682 -7.889 74 HA LYS 11 HA LYS 11 -3.266 -2.789 -7.343 75 HB2 LYS 11 2HB LYS 11 -4.277 -4.733 -8.388 76 HB3 LYS 11 3HB LYS 11 -5.043 -3.744 -9.623 77 HG2 LYS 11 2HG LYS 11 -3.167 -4.959 -10.548 78 HG3 LYS 11 3HG LYS 11 -2.892 -3.222 -10.640 79 HD2 LYS 11 2HD LYS 11 -1.340 -3.355 -8.705 80 HD3 LYS 11 3HD LYS 11 -1.705 -5.073 -8.519 81 HE2 LYS 11 2HE LYS 11 0.415 -4.852 -9.633 82 HE3 LYS 11 3HE LYS 11 -0.754 -5.510 -10.777 83 HZ1 LYS 11 3HZ LYS 11 -0.950 -3.341 -11.792 84 HZ2 LYS 11 1HZ LYS 11 0.637 -3.701 -11.720 85 HZ3 LYS 11 2HZ LYS 11 -0.010 -2.619 -10.660 86 H VAL 12 H VAL 12 -1.914 -1.242 -7.947 87 HA VAL 12 HA VAL 12 -2.820 0.828 -9.920 88 HB VAL 12 HB VAL 12 -1.390 2.437 -8.761 89 HG11 VAL 12 1HG1 VAL 12 -3.520 1.169 -6.993 90 HG12 VAL 12 2HG1 VAL 12 -2.897 2.828 -6.875 91 HG13 VAL 12 3HG1 VAL 12 -3.802 2.323 -8.312 92 HG21 VAL 12 3HG2 VAL 12 0.169 0.877 -7.601 93 HG22 VAL 12 1HG2 VAL 12 -0.590 2.035 -6.493 94 HG23 VAL 12 2HG2 VAL 12 -1.162 0.364 -6.537 95 H THR 13 H THR 13 -1.282 1.885 -11.167 96 HA THR 13 HA THR 13 1.110 0.301 -12.003 97 HB THR 13 HB THR 13 0.486 0.638 -14.339 98 HG1 THR 13 HG1 THR 13 -1.587 1.460 -14.817 99 HG21 THR 13 3HG2 THR 13 -1.430 -0.827 -14.569 100 HG22 THR 13 1HG2 THR 13 -1.903 -0.558 -12.879 101 HG23 THR 13 2HG2 THR 13 -0.385 -1.413 -13.266 102 H ASP 14 H ASP 14 2.418 1.622 -13.668 103 HA ASP 14 HA ASP 14 3.166 4.189 -12.630 104 HB2 ASP 14 2HB ASP 14 4.632 2.717 -13.905 105 HB3 ASP 14 3HB ASP 14 3.632 2.896 -15.342 106 H ALA 15 H ALA 15 0.624 3.356 -14.925 107 HA ALA 15 HA ALA 15 0.215 6.144 -15.774 108 HB1 ALA 15 3HB ALA 15 -1.623 5.179 -17.082 109 HB2 ALA 15 1HB ALA 15 -0.121 4.273 -17.337 110 HB3 ALA 15 2HB ALA 15 -1.393 3.608 -16.285 111 H SER 16 H SER 16 -1.249 3.891 -13.423 112 HA SER 16 HA SER 16 -3.492 5.761 -12.916 113 HB2 SER 16 2HB SER 16 -4.529 3.886 -11.749 114 HB3 SER 16 3HB SER 16 -4.108 3.502 -13.422 115 HG SER 16 HG SER 16 -2.471 2.246 -12.773 116 H PHE 17 H PHE 17 -0.600 4.682 -11.227 117 HA PHE 17 HA PHE 17 -1.301 4.980 -8.554 118 HB2 PHE 17 2HB PHE 17 0.829 4.107 -9.370 119 HB3 PHE 17 3HB PHE 17 1.299 5.690 -9.974 120 HD1 PHE 17 HD1 PHE 17 1.821 7.550 -8.316 121 HD2 PHE 17 HD2 PHE 17 1.189 3.458 -7.111 122 HE1 PHE 17 HE1 PHE 17 2.899 8.018 -6.134 123 HE2 PHE 17 HE2 PHE 17 2.301 3.931 -4.940 124 HZ PHE 17 HZ PHE 17 3.126 6.217 -4.438 125 H ALA 18 H ALA 18 -0.380 7.645 -10.803 126 HA ALA 18 HA ALA 18 -0.411 9.633 -8.760 127 HB1 ALA 18 3HB ALA 18 0.766 9.913 -10.901 128 HB2 ALA 18 1HB ALA 18 -0.791 9.925 -11.770 129 HB3 ALA 18 2HB ALA 18 -0.387 11.234 -10.636 130 H THR 19 H THR 19 -3.053 8.294 -10.699 131 HA THR 19 HA THR 19 -4.993 10.313 -9.789 132 HB THR 19 HB THR 19 -5.486 7.648 -11.181 133 HG1 THR 19 HG1 THR 19 -5.467 8.880 -13.069 134 HG21 THR 19 3HG2 THR 19 -7.523 8.803 -12.046 135 HG22 THR 19 1HG2 THR 19 -7.149 10.205 -11.015 136 HG23 THR 19 2HG2 THR 19 -7.556 8.633 -10.289 137 H ASP 20 H ASP 20 -4.012 7.026 -8.848 138 HA ASP 20 HA ASP 20 -6.289 6.791 -6.975 139 HB2 ASP 20 2HB ASP 20 -4.150 4.882 -7.922 140 HB3 ASP 20 3HB ASP 20 -5.260 4.485 -6.615 141 H VAL 21 H VAL 21 -2.870 7.479 -6.698 142 HA VAL 21 HA VAL 21 -3.070 7.344 -3.712 143 HB VAL 21 HB VAL 21 -0.541 7.223 -5.385 144 HG11 VAL 21 1HG1 VAL 21 -0.217 8.017 -3.062 145 HG12 VAL 21 2HG1 VAL 21 -1.065 6.577 -2.454 146 HG13 VAL 21 3HG1 VAL 21 0.480 6.421 -3.314 147 HG21 VAL 21 3HG2 VAL 21 -0.498 4.804 -4.809 148 HG22 VAL 21 1HG2 VAL 21 -2.133 4.940 -4.131 149 HG23 VAL 21 2HG2 VAL 21 -1.846 5.200 -5.865 150 H LEU 22 H LEU 22 -1.488 9.286 -6.307 151 HA LEU 22 HA LEU 22 -0.819 11.358 -4.399 152 HB2 LEU 22 2HB LEU 22 -0.615 11.478 -7.415 153 HB3 LEU 22 3HB LEU 22 0.159 12.549 -6.263 154 HG LEU 22 HG LEU 22 0.748 9.577 -6.590 155 HD11 LEU 22 1HD1 LEU 22 2.416 12.037 -7.246 156 HD12 LEU 22 2HD1 LEU 22 1.587 11.005 -8.429 157 HD13 LEU 22 3HD1 LEU 22 2.908 10.342 -7.455 158 HD21 LEU 22 3HD2 LEU 22 2.683 10.044 -5.061 159 HD22 LEU 22 1HD2 LEU 22 1.127 10.209 -4.249 160 HD23 LEU 22 2HD2 LEU 22 2.021 11.659 -4.761 161 H SER 23 H SER 23 -3.635 10.912 -6.386 162 HA SER 23 HA SER 23 -4.462 13.685 -6.427 163 HB2 SER 23 2HB SER 23 -5.150 11.808 -8.002 164 HB3 SER 23 3HB SER 23 -6.255 11.272 -6.717 165 HG SER 23 HG SER 23 -7.261 12.699 -8.223 166 H SER 24 H SER 24 -4.758 11.145 -4.024 167 HA SER 24 HA SER 24 -7.264 11.889 -2.935 168 HB2 SER 24 2HB SER 24 -5.059 10.020 -2.043 169 HB3 SER 24 3HB SER 24 -6.672 10.095 -1.314 170 HG SER 24 HG SER 24 -6.463 8.496 -3.026 171 H ASN 25 H ASN 25 -7.722 13.482 -1.571 172 HA ASN 25 HA ASN 25 -5.874 14.662 0.349 173 HB2 ASN 25 2HB ASN 25 -7.836 15.815 -0.719 174 HB3 ASN 25 3HB ASN 25 -8.914 14.765 0.204 175 HD21 ASN 25 2HD2 ASN 25 -9.723 16.959 0.906 176 HD22 ASN 25 1HD2 ASN 25 -8.906 17.703 2.273 177 H LYS 26 H LYS 26 -8.094 11.947 0.349 178 HA LYS 26 HA LYS 26 -8.022 11.471 3.230 179 HB2 LYS 26 2HB LYS 26 -9.248 9.455 2.762 180 HB3 LYS 26 3HB LYS 26 -9.933 10.767 1.814 181 HG2 LYS 26 2HG LYS 26 -8.667 9.954 -0.190 182 HG3 LYS 26 3HG LYS 26 -8.049 8.601 0.764 183 HD2 LYS 26 2HD LYS 26 -10.971 9.137 0.069 184 HD3 LYS 26 3HD LYS 26 -9.903 7.933 -0.661 185 HE2 LYS 26 2HE LYS 26 -9.615 7.034 1.772 186 HE3 LYS 26 3HE LYS 26 -11.065 7.979 2.148 187 HZ1 LYS 26 3HZ LYS 26 -10.806 5.782 0.168 188 HZ2 LYS 26 1HZ LYS 26 -12.163 6.708 0.294 189 HZ3 LYS 26 2HZ LYS 26 -11.713 5.738 1.531 190 HA PRO 27 HA PRO 27 -4.201 9.252 3.478 191 HB2 PRO 27 2HB PRO 27 -5.312 7.007 5.034 192 HB3 PRO 27 3HB PRO 27 -4.146 8.260 5.538 193 HG2 PRO 27 2HG PRO 27 -6.776 8.150 6.422 194 HG3 PRO 27 3HG PRO 27 -5.814 9.658 6.316 195 HD2 PRO 27 2HD PRO 27 -7.883 8.589 4.415 196 HD3 PRO 27 3HD PRO 27 -7.589 10.272 4.944 197 H VAL 28 H VAL 28 -3.116 7.745 2.250 198 HA VAL 28 HA VAL 28 -4.648 5.463 1.096 199 HB VAL 28 HB VAL 28 -2.652 7.041 -0.543 200 HG11 VAL 28 1HG1 VAL 28 -4.552 4.725 -1.164 201 HG12 VAL 28 2HG1 VAL 28 -3.617 5.612 -2.374 202 HG13 VAL 28 3HG1 VAL 28 -2.776 4.660 -1.152 203 HG21 VAL 28 3HG2 VAL 28 -4.620 7.691 -1.909 204 HG22 VAL 28 1HG2 VAL 28 -5.697 7.024 -0.660 205 HG23 VAL 28 2HG2 VAL 28 -4.648 8.410 -0.295 206 H LEU 29 H LEU 29 -3.821 3.654 1.759 207 HA LEU 29 HA LEU 29 -0.955 3.409 2.522 208 HB2 LEU 29 2HB LEU 29 -3.088 2.505 3.848 209 HB3 LEU 29 3HB LEU 29 -3.099 1.284 2.611 210 HG LEU 29 HG LEU 29 -0.743 0.645 3.248 211 HD11 LEU 29 1HD1 LEU 29 -0.021 2.708 4.394 212 HD12 LEU 29 2HD1 LEU 29 0.053 1.333 5.499 213 HD13 LEU 29 3HD1 LEU 29 -1.290 2.490 5.620 214 HD21 LEU 29 3HD2 LEU 29 -2.748 -0.572 4.039 215 HD22 LEU 29 1HD2 LEU 29 -2.854 0.516 5.444 216 HD23 LEU 29 2HD2 LEU 29 -1.456 -0.555 5.240 217 H VAL 30 H VAL 30 0.500 2.525 1.087 218 HA VAL 30 HA VAL 30 -0.556 0.862 -1.169 219 HB VAL 30 HB VAL 30 1.927 2.568 -1.381 220 HG11 VAL 30 1HG1 VAL 30 0.256 1.042 -3.431 221 HG12 VAL 30 2HG1 VAL 30 1.668 2.054 -3.794 222 HG13 VAL 30 3HG1 VAL 30 1.873 0.583 -2.851 223 HG21 VAL 30 3HG2 VAL 30 0.004 4.098 -1.242 224 HG22 VAL 30 1HG2 VAL 30 0.643 4.029 -2.884 225 HG23 VAL 30 2HG2 VAL 30 -0.852 3.154 -2.481 226 H ASP 31 H ASP 31 0.129 -1.163 -1.170 227 HA ASP 31 HA ASP 31 2.605 -1.870 0.337 228 HB2 ASP 31 2HB ASP 31 0.503 -3.143 0.797 229 HB3 ASP 31 3HB ASP 31 0.529 -3.721 -0.867 230 H PHE 32 H PHE 32 4.405 -1.786 -0.766 231 HA PHE 32 HA PHE 32 4.598 -2.359 -3.676 232 HB2 PHE 32 2HB PHE 32 6.574 -1.422 -1.562 233 HB3 PHE 32 3HB PHE 32 7.040 -1.904 -3.181 234 HD1 PHE 32 HD2 PHE 32 4.490 0.448 -1.602 235 HD2 PHE 32 HD1 PHE 32 7.501 -0.181 -4.629 236 HE1 PHE 32 HE2 PHE 32 4.107 2.736 -2.469 237 HE2 PHE 32 HE1 PHE 32 7.167 2.146 -5.425 238 HZ PHE 32 HZ PHE 32 5.414 3.570 -4.404 239 H TRP 33 H TRP 33 4.609 -4.493 -4.156 240 HA TRP 33 HA TRP 33 5.992 -6.430 -2.376 241 HB2 TRP 33 2HB TRP 33 4.113 -7.590 -1.768 242 HB3 TRP 33 3HB TRP 33 3.615 -5.933 -1.587 243 HD1 TRP 33 HD1 TRP 33 3.004 -5.976 -5.007 244 HE1 TRP 33 HE1 TRP 33 0.793 -7.021 -5.748 245 HE3 TRP 33 HE3 TRP 33 1.760 -8.340 -0.653 246 HZ2 TRP 33 HZ2 TRP 33 -1.268 -8.695 -4.590 247 HZ3 TRP 33 HZ3 TRP 33 -0.343 -9.624 -0.489 248 HH2 TRP 33 HH2 TRP 33 -1.886 -9.788 -2.420 249 H ALA 34 H ALA 34 5.508 -8.778 -3.218 250 HA ALA 34 HA ALA 34 4.825 -8.839 -6.060 251 HB1 ALA 34 3HB ALA 34 6.512 -10.418 -6.692 252 HB2 ALA 34 1HB ALA 34 7.327 -8.997 -6.018 253 HB3 ALA 34 2HB ALA 34 7.173 -10.481 -5.043 254 H THR 35 H THR 35 3.456 -10.516 -6.552 255 HA THR 35 HA THR 35 1.826 -11.383 -4.437 256 HB THR 35 HB THR 35 0.690 -12.799 -6.175 257 HG1 THR 35 HG1 THR 35 1.475 -12.622 -8.288 258 HG21 THR 35 3HG2 THR 35 -0.039 -10.936 -7.587 259 HG22 THR 35 1HG2 THR 35 1.359 -9.963 -7.078 260 HG23 THR 35 2HG2 THR 35 0.106 -10.414 -5.902 261 H TRP 36 H TRP 36 4.604 -13.054 -5.696 262 HA TRP 36 HA TRP 36 3.828 -15.685 -4.672 263 HB2 TRP 36 2HB TRP 36 6.070 -16.326 -5.509 264 HB3 TRP 36 3HB TRP 36 5.043 -15.576 -6.715 265 HD1 TRP 36 HD1 TRP 36 5.888 -13.462 -7.900 266 HE1 TRP 36 HE1 TRP 36 8.042 -12.063 -7.846 267 HE3 TRP 36 HE3 TRP 36 8.116 -15.528 -3.763 268 HZ2 TRP 36 HZ2 TRP 36 10.330 -11.738 -6.125 269 HZ3 TRP 36 HZ3 TRP 36 10.268 -14.619 -2.919 270 HH2 TRP 36 HH2 TRP 36 11.376 -12.722 -4.079 271 H CYS 37 H CYS 37 5.317 -12.922 -3.198 272 HA CYS 37 HA CYS 37 7.278 -14.415 -1.699 273 HB2 CYS 37 2HB CYS 37 8.260 -12.492 -1.711 274 HB3 CYS 37 3HB CYS 37 6.872 -11.724 -2.426 275 H GLY 38 H GLY 38 7.473 -14.878 0.477 276 HA2 GLY 38 2HA GLY 38 5.251 -16.019 1.716 277 HA3 GLY 38 3HA GLY 38 6.775 -15.658 2.526 278 HA PRO 39 HA PRO 39 4.713 -12.539 4.902 279 HB2 PRO 39 2HB PRO 39 6.199 -10.223 4.813 280 HB3 PRO 39 3HB PRO 39 6.638 -11.687 5.741 281 HG2 PRO 39 2HG PRO 39 7.607 -10.839 3.012 282 HG3 PRO 39 3HG PRO 39 8.564 -11.446 4.390 283 HD2 PRO 39 2HD PRO 39 7.808 -13.061 2.318 284 HD3 PRO 39 3HD PRO 39 7.862 -13.680 3.995 285 H CYS 40 H CYS 40 5.287 -11.697 1.513 286 HA CYS 40 HA CYS 40 3.407 -9.530 1.322 287 HB2 CYS 40 2HB CYS 40 4.113 -11.545 -0.841 288 HB3 CYS 40 3HB CYS 40 3.397 -9.972 -1.045 289 H LYS 41 H LYS 41 3.038 -13.089 0.820 290 HA LYS 41 HA LYS 41 0.154 -13.051 0.614 291 HB2 LYS 41 2HB LYS 41 2.147 -15.242 1.326 292 HB3 LYS 41 3HB LYS 41 0.400 -15.508 1.197 293 HG2 LYS 41 2HG LYS 41 0.415 -14.680 -1.131 294 HG3 LYS 41 3HG LYS 41 2.168 -14.431 -1.046 295 HD2 LYS 41 2HD LYS 41 2.516 -16.843 -0.660 296 HD3 LYS 41 3HD LYS 41 0.755 -17.111 -0.676 297 HE2 LYS 41 2HE LYS 41 0.654 -16.183 -2.988 298 HE3 LYS 41 3HE LYS 41 2.402 -15.964 -2.968 299 HZ1 LYS 41 3HZ LYS 41 2.646 -18.384 -2.725 300 HZ2 LYS 41 1HZ LYS 41 1.773 -18.055 -4.066 301 HZ3 LYS 41 2HZ LYS 41 1.026 -18.592 -2.722 302 H MET 42 H MET 42 2.308 -13.244 3.453 303 HA MET 42 HA MET 42 0.242 -13.686 5.371 304 HB2 MET 42 2HB MET 42 2.735 -13.819 5.753 305 HB3 MET 42 3HB MET 42 2.756 -12.047 5.821 306 HG2 MET 42 2HG MET 42 1.181 -12.094 7.719 307 HG3 MET 42 3HG MET 42 1.157 -13.862 7.653 308 HE1 MET 42 3HE MET 42 3.083 -13.058 10.983 309 HE2 MET 42 1HE MET 42 1.747 -12.125 10.272 310 HE3 MET 42 2HE MET 42 1.703 -13.904 10.248 311 H VAL 43 H VAL 43 1.334 -10.559 3.902 312 HA VAL 43 HA VAL 43 -0.662 -9.106 5.505 313 HB VAL 43 HB VAL 43 0.119 -7.089 4.508 314 HG11 VAL 43 1HG1 VAL 43 2.472 -8.779 5.412 315 HG12 VAL 43 2HG1 VAL 43 2.324 -7.010 5.470 316 HG13 VAL 43 3HG1 VAL 43 1.275 -8.024 6.482 317 HG21 VAL 43 3HG2 VAL 43 0.734 -7.884 2.233 318 HG22 VAL 43 1HG2 VAL 43 2.007 -6.935 3.009 319 HG23 VAL 43 2HG2 VAL 43 2.143 -8.695 2.931 320 H ALA 44 H ALA 44 -0.786 -10.725 2.469 321 HA ALA 44 HA ALA 44 -2.573 -9.180 1.030 322 HB1 ALA 44 3HB ALA 44 -2.623 -12.218 1.271 323 HB2 ALA 44 1HB ALA 44 -3.299 -11.241 -0.043 324 HB3 ALA 44 2HB ALA 44 -1.550 -11.287 0.228 325 HA PRO 45 HA PRO 45 -6.475 -10.837 3.305 326 HB2 PRO 45 2HB PRO 45 -6.264 -11.898 5.830 327 HB3 PRO 45 3HB PRO 45 -6.205 -12.883 4.341 328 HG2 PRO 45 2HG PRO 45 -3.872 -11.833 5.969 329 HG3 PRO 45 3HG PRO 45 -4.135 -13.496 5.352 330 HD2 PRO 45 2HD PRO 45 -2.562 -11.747 4.043 331 HD3 PRO 45 3HD PRO 45 -3.624 -12.858 3.142 332 H VAL 46 H VAL 46 -3.773 -9.540 5.253 333 HA VAL 46 HA VAL 46 -5.380 -7.891 6.978 334 HB VAL 46 HB VAL 46 -2.451 -7.605 6.175 335 HG11 VAL 46 1HG1 VAL 46 -2.285 -6.305 8.316 336 HG12 VAL 46 2HG1 VAL 46 -3.229 -5.496 7.065 337 HG13 VAL 46 3HG1 VAL 46 -4.072 -6.324 8.383 338 HG21 VAL 46 3HG2 VAL 46 -3.731 -8.886 8.631 339 HG22 VAL 46 1HG2 VAL 46 -2.921 -9.758 7.312 340 HG23 VAL 46 2HG2 VAL 46 -1.986 -8.677 8.340 341 H LEU 47 H LEU 47 -3.553 -7.056 3.967 342 HA LEU 47 HA LEU 47 -4.487 -4.338 3.981 343 HB2 LEU 47 2HB LEU 47 -3.300 -4.058 1.978 344 HB3 LEU 47 3HB LEU 47 -2.388 -5.181 2.955 345 HG LEU 47 HG LEU 47 -3.617 -7.012 1.483 346 HD11 LEU 47 1HD1 LEU 47 -3.961 -6.287 -0.832 347 HD12 LEU 47 2HD1 LEU 47 -3.571 -4.607 -0.396 348 HD13 LEU 47 3HD1 LEU 47 -5.054 -5.374 0.211 349 HD21 LEU 47 3HD2 LEU 47 -1.191 -6.634 1.536 350 HD22 LEU 47 1HD2 LEU 47 -1.363 -5.273 0.414 351 HD23 LEU 47 2HD2 LEU 47 -1.743 -6.924 -0.117 352 H GLU 48 H GLU 48 -5.763 -7.296 2.384 353 HA GLU 48 HA GLU 48 -7.926 -5.965 1.020 354 HB2 GLU 48 2HB GLU 48 -7.565 -8.807 2.048 355 HB3 GLU 48 3HB GLU 48 -9.004 -8.268 1.177 356 HG2 GLU 48 2HG GLU 48 -7.689 -7.649 -0.773 357 HG3 GLU 48 3HG GLU 48 -6.181 -8.049 0.043 358 H GLU 49 H GLU 49 -7.757 -7.368 4.354 359 HA GLU 49 HA GLU 49 -10.489 -6.716 4.970 360 HB2 GLU 49 2HB GLU 49 -8.088 -7.380 6.698 361 HB3 GLU 49 3HB GLU 49 -9.645 -6.901 7.384 362 HG2 GLU 49 2HG GLU 49 -10.806 -8.715 6.282 363 HG3 GLU 49 3HG GLU 49 -9.356 -9.220 5.433 364 H ILE 50 H ILE 50 -7.450 -4.830 5.726 365 HA ILE 50 HA ILE 50 -8.859 -2.670 6.976 366 HB ILE 50 HB ILE 50 -6.346 -2.677 5.290 367 HG12 ILE 50 2HG1 ILE 50 -6.178 -4.015 7.403 368 HG13 ILE 50 3HG1 ILE 50 -5.033 -2.694 7.292 369 HG21 ILE 50 1HG2 ILE 50 -5.746 -0.501 6.422 370 HG22 ILE 50 2HG2 ILE 50 -7.101 -0.387 5.306 371 HG23 ILE 50 3HG2 ILE 50 -7.416 -0.423 7.040 372 HD11 ILE 50 3HD1 ILE 50 -5.951 -2.908 9.549 373 HD12 ILE 50 1HD1 ILE 50 -6.389 -1.350 8.862 374 HD13 ILE 50 2HD1 ILE 50 -7.600 -2.657 8.941 375 H ALA 51 H ALA 51 -8.127 -3.239 3.480 376 HA ALA 51 HA ALA 51 -9.209 -0.801 2.502 377 HB1 ALA 51 3HB ALA 51 -9.365 -3.510 1.105 378 HB2 ALA 51 1HB ALA 51 -9.258 -1.892 0.377 379 HB3 ALA 51 2HB ALA 51 -7.869 -2.588 1.223 380 H THR 52 H THR 52 -10.784 -3.938 3.193 381 HA THR 52 HA THR 52 -13.380 -3.094 2.181 382 HB THR 52 HB THR 52 -12.618 -5.562 3.773 383 HG1 THR 52 HG1 THR 52 -11.401 -5.614 2.019 384 HG21 THR 52 3HG2 THR 52 -14.927 -5.001 1.854 385 HG22 THR 52 1HG2 THR 52 -15.063 -5.308 3.603 386 HG23 THR 52 2HG2 THR 52 -14.512 -6.595 2.519 387 H GLU 53 H GLU 53 -11.878 -3.192 5.417 388 HA GLU 53 HA GLU 53 -14.486 -2.812 6.734 389 HB2 GLU 53 2HB GLU 53 -11.657 -2.953 7.852 390 HB3 GLU 53 3HB GLU 53 -13.130 -2.751 8.804 391 HG2 GLU 53 2HG GLU 53 -13.937 -4.907 7.497 392 HG3 GLU 53 3HG GLU 53 -12.241 -5.194 7.254 393 H ARG 54 H ARG 54 -11.795 -0.706 5.819 394 HA ARG 54 HA ARG 54 -13.183 1.617 7.116 395 HB2 ARG 54 2HB ARG 54 -10.205 1.010 7.025 396 HB3 ARG 54 3HB ARG 54 -10.907 2.501 7.636 397 HG2 ARG 54 2HG ARG 54 -11.454 -0.204 8.903 398 HG3 ARG 54 3HG ARG 54 -10.188 0.915 9.384 399 HD2 ARG 54 2HD ARG 54 -11.945 1.327 10.887 400 HD3 ARG 54 3HD ARG 54 -11.951 2.688 9.759 401 HE ARG 54 HE ARG 54 -13.736 0.422 9.113 402 HH11 ARG 54 1HH1 ARG 54 -13.711 3.788 10.182 403 HH12 ARG 54 2HH1 ARG 54 -15.448 3.813 10.242 404 HH21 ARG 54 1HH2 ARG 54 -15.815 0.663 8.937 405 HH22 ARG 54 2HH2 ARG 54 -16.625 2.110 9.485 406 H ALA 55 H ALA 55 -13.344 0.763 4.294 407 HA ALA 55 HA ALA 55 -12.042 2.470 2.524 408 HB1 ALA 55 3HB ALA 55 -13.600 0.654 1.890 409 HB2 ALA 55 1HB ALA 55 -14.970 1.605 2.503 410 HB3 ALA 55 2HB ALA 55 -14.040 2.176 1.102 411 H THR 56 H THR 56 -14.604 3.374 4.798 412 HA THR 56 HA THR 56 -15.192 5.980 3.659 413 HB THR 56 HB THR 56 -16.391 6.275 5.876 414 HG1 THR 56 HG1 THR 56 -16.586 4.407 7.129 415 HG21 THR 56 3HG2 THR 56 -18.161 4.666 5.370 416 HG22 THR 56 1HG2 THR 56 -17.062 3.722 4.341 417 HG23 THR 56 2HG2 THR 56 -17.539 5.367 3.867 418 H ASP 57 H ASP 57 -12.686 4.834 5.797 419 HA ASP 57 HA ASP 57 -12.042 7.619 6.703 420 HB2 ASP 57 2HB ASP 57 -11.158 4.890 7.682 421 HB3 ASP 57 3HB ASP 57 -10.418 6.392 8.213 422 H LEU 58 H LEU 58 -10.683 4.835 4.921 423 HA LEU 58 HA LEU 58 -8.647 6.583 3.701 424 HB2 LEU 58 2HB LEU 58 -6.801 5.139 4.249 425 HB3 LEU 58 3HB LEU 58 -7.490 5.867 5.660 426 HG LEU 58 HG LEU 58 -6.610 3.499 5.766 427 HD11 LEU 58 1HD1 LEU 58 -7.932 4.542 7.563 428 HD12 LEU 58 2HD1 LEU 58 -8.206 2.795 7.446 429 HD13 LEU 58 3HD1 LEU 58 -9.408 3.923 6.795 430 HD21 LEU 58 3HD2 LEU 58 -7.679 2.497 3.819 431 HD22 LEU 58 1HD2 LEU 58 -9.274 2.690 4.597 432 HD23 LEU 58 2HD2 LEU 58 -8.062 1.640 5.320 433 H THR 59 H THR 59 -7.268 5.296 2.112 434 HA THR 59 HA THR 59 -8.817 3.117 0.748 435 HB THR 59 HB THR 59 -7.108 5.265 -0.549 436 HG1 THR 59 HG1 THR 59 -9.105 5.706 -1.579 437 HG21 THR 59 3HG2 THR 59 -7.891 4.266 -2.701 438 HG22 THR 59 1HG2 THR 59 -8.574 2.896 -1.798 439 HG23 THR 59 2HG2 THR 59 -6.815 3.186 -1.819 440 H VAL 60 H VAL 60 -7.596 1.323 0.058 441 HA VAL 60 HA VAL 60 -4.680 1.348 0.669 442 HB VAL 60 HB VAL 60 -6.465 -1.026 1.098 443 HG11 VAL 60 1HG1 VAL 60 -3.484 -0.676 1.546 444 HG12 VAL 60 2HG1 VAL 60 -4.445 -2.045 2.144 445 HG13 VAL 60 3HG1 VAL 60 -4.281 -1.784 0.411 446 HG21 VAL 60 3HG2 VAL 60 -5.197 0.813 3.137 447 HG22 VAL 60 1HG2 VAL 60 -6.914 0.434 2.910 448 HG23 VAL 60 2HG2 VAL 60 -5.812 -0.814 3.500 449 H ALA 61 H ALA 61 -3.401 0.580 -0.865 450 HA ALA 61 HA ALA 61 -4.537 -0.646 -3.312 451 HB1 ALA 61 3HB ALA 61 -2.571 1.684 -3.144 452 HB2 ALA 61 1HB ALA 61 -3.134 0.909 -4.637 453 HB3 ALA 61 2HB ALA 61 -4.276 1.811 -3.621 454 H LYS 62 H LYS 62 -2.949 -1.709 -4.678 455 HA LYS 62 HA LYS 62 -0.401 -2.493 -3.318 456 HB2 LYS 62 2HB LYS 62 -0.721 -4.820 -3.947 457 HB3 LYS 62 3HB LYS 62 -1.942 -4.223 -2.829 458 HG2 LYS 62 2HG LYS 62 -3.486 -3.908 -4.880 459 HG3 LYS 62 3HG LYS 62 -2.277 -4.833 -5.795 460 HD2 LYS 62 2HD LYS 62 -2.525 -6.694 -4.125 461 HD3 LYS 62 3HD LYS 62 -3.699 -5.719 -3.247 462 HE2 LYS 62 2HE LYS 62 -5.045 -7.177 -4.470 463 HE3 LYS 62 3HE LYS 62 -5.122 -5.655 -5.359 464 HZ1 LYS 62 3HZ LYS 62 -4.786 -7.520 -6.861 465 HZ2 LYS 62 1HZ LYS 62 -3.454 -8.019 -6.071 466 HZ3 LYS 62 2HZ LYS 62 -3.433 -6.607 -6.901 467 H LEU 63 H LEU 63 1.320 -2.773 -4.444 468 HA LEU 63 HA LEU 63 1.359 -2.081 -7.362 469 HB2 LEU 63 2HB LEU 63 1.739 -0.162 -5.892 470 HB3 LEU 63 3HB LEU 63 3.008 -1.013 -5.038 471 HG LEU 63 HG LEU 63 3.200 -0.133 -7.964 472 HD11 LEU 63 1HD1 LEU 63 2.999 1.815 -6.665 473 HD12 LEU 63 2HD1 LEU 63 4.757 1.584 -6.791 474 HD13 LEU 63 3HD1 LEU 63 3.909 1.117 -5.319 475 HD21 LEU 63 3HD2 LEU 63 4.811 -1.921 -7.552 476 HD22 LEU 63 1HD2 LEU 63 5.271 -1.199 -5.990 477 HD23 LEU 63 2HD2 LEU 63 5.678 -0.395 -7.521 478 H ASP 64 H ASP 64 2.141 -3.837 -8.385 479 HA ASP 64 HA ASP 64 3.884 -5.747 -6.968 480 HB2 ASP 64 2HB ASP 64 2.003 -6.642 -8.160 481 HB3 ASP 64 3HB ASP 64 2.565 -5.933 -9.666 482 H VAL 65 H VAL 65 5.946 -5.426 -6.892 483 HA VAL 65 HA VAL 65 7.235 -3.419 -8.472 484 HB VAL 65 HB VAL 65 9.209 -3.844 -7.197 485 HG11 VAL 65 1HG1 VAL 65 8.417 -3.522 -4.941 486 HG12 VAL 65 2HG1 VAL 65 7.345 -2.665 -6.061 487 HG13 VAL 65 3HG1 VAL 65 6.833 -4.203 -5.346 488 HG21 VAL 65 3HG2 VAL 65 9.423 -5.671 -5.562 489 HG22 VAL 65 1HG2 VAL 65 7.922 -6.401 -6.167 490 HG23 VAL 65 2HG2 VAL 65 9.348 -6.283 -7.215 491 H ASP 66 H ASP 66 6.797 -6.734 -9.204 492 HA ASP 66 HA ASP 66 9.223 -6.932 -10.893 493 HB2 ASP 66 2HB ASP 66 8.550 -8.837 -9.486 494 HB3 ASP 66 3HB ASP 66 7.009 -8.933 -10.336 495 H THR 67 H THR 67 5.651 -6.785 -11.271 496 HA THR 67 HA THR 67 5.934 -6.806 -14.216 497 HB THR 67 HB THR 67 4.155 -8.038 -12.823 498 HG1 THR 67 HG1 THR 67 2.772 -7.894 -14.568 499 HG21 THR 67 3HG2 THR 67 2.587 -5.461 -13.227 500 HG22 THR 67 1HG2 THR 67 3.352 -5.875 -11.682 501 HG23 THR 67 2HG2 THR 67 2.104 -6.939 -12.362 502 H ASN 68 H ASN 68 5.471 -4.399 -11.717 503 HA ASN 68 HA ASN 68 5.511 -2.279 -13.818 504 HB2 ASN 68 2HB ASN 68 3.222 -2.638 -12.805 505 HB3 ASN 68 3HB ASN 68 3.885 -2.109 -11.256 506 HD21 ASN 68 1HD2 ASN 68 4.857 0.144 -11.239 507 HD22 ASN 68 2HD2 ASN 68 4.140 1.324 -12.326 508 HA PRO 69 HA PRO 69 9.012 -2.037 -10.737 509 HB2 PRO 69 2HB PRO 69 11.118 -1.850 -12.473 510 HB3 PRO 69 3HB PRO 69 10.358 -3.407 -12.030 511 HG2 PRO 69 2HG PRO 69 9.786 -1.697 -14.476 512 HG3 PRO 69 3HG PRO 69 10.165 -3.451 -14.417 513 HD2 PRO 69 2HD PRO 69 7.606 -2.577 -14.538 514 HD3 PRO 69 3HD PRO 69 8.045 -3.973 -13.510 515 H GLU 70 H GLU 70 7.917 0.053 -13.322 516 HA GLU 70 HA GLU 70 9.750 2.204 -13.007 517 HB2 GLU 70 2HB GLU 70 6.862 2.205 -13.955 518 HB3 GLU 70 3HB GLU 70 7.998 3.539 -14.168 519 HG2 GLU 70 2HG GLU 70 8.294 0.762 -15.364 520 HG3 GLU 70 3HG GLU 70 7.743 2.199 -16.214 521 H THR 71 H THR 71 6.691 1.553 -11.258 522 HA THR 71 HA THR 71 6.909 3.994 -9.626 523 HB THR 71 HB THR 71 5.106 3.036 -8.317 524 HG1 THR 71 HG1 THR 71 4.083 1.217 -9.202 525 HG21 THR 71 3HG2 THR 71 3.368 3.264 -10.070 526 HG22 THR 71 1HG2 THR 71 4.645 3.208 -11.311 527 HG23 THR 71 2HG2 THR 71 4.586 4.549 -10.151 528 H ALA 72 H ALA 72 7.773 0.549 -9.257 529 HA ALA 72 HA ALA 72 8.549 0.683 -6.532 530 HB1 ALA 72 3HB ALA 72 9.765 -1.363 -6.980 531 HB2 ALA 72 1HB ALA 72 8.230 -1.389 -7.878 532 HB3 ALA 72 2HB ALA 72 9.754 -1.049 -8.726 533 H ARG 73 H ARG 73 10.520 1.326 -9.475 534 HA ARG 73 HA ARG 73 12.829 2.158 -7.902 535 HB2 ARG 73 2HB ARG 73 13.962 2.521 -9.905 536 HB3 ARG 73 3HB ARG 73 12.967 1.089 -10.153 537 HG2 ARG 73 2HG ARG 73 11.301 2.541 -11.375 538 HG3 ARG 73 3HG ARG 73 12.412 3.906 -11.197 539 HD2 ARG 73 2HD ARG 73 14.170 2.572 -12.413 540 HD3 ARG 73 3HD ARG 73 12.989 1.278 -12.629 541 HE ARG 73 HE ARG 73 11.949 2.450 -14.322 542 HH11 ARG 73 1HH1 ARG 73 14.248 4.662 -12.839 543 HH12 ARG 73 2HH1 ARG 73 13.988 5.874 -14.062 544 HH21 ARG 73 1HH2 ARG 73 11.575 4.071 -15.745 545 HH22 ARG 73 2HH2 ARG 73 12.542 5.531 -15.690 546 H ASN 74 H ASN 74 10.033 3.927 -9.084 547 HA ASN 74 HA ASN 74 11.060 6.570 -8.922 548 HB2 ASN 74 2HB ASN 74 8.759 5.880 -9.770 549 HB3 ASN 74 3HB ASN 74 8.268 5.633 -8.100 550 HD21 ASN 74 1HD2 ASN 74 7.712 7.462 -6.821 551 HD22 ASN 74 2HD2 ASN 74 7.787 9.083 -7.482 552 H PHE 75 H PHE 75 9.743 4.463 -6.369 553 HA PHE 75 HA PHE 75 10.637 6.343 -4.246 554 HB2 PHE 75 2HB PHE 75 8.830 3.911 -4.149 555 HB3 PHE 75 3HB PHE 75 9.256 4.916 -2.769 556 HD1 PHE 75 HD2 PHE 75 8.522 7.299 -2.624 557 HD2 PHE 75 HD1 PHE 75 7.166 4.685 -5.769 558 HE1 PHE 75 HE2 PHE 75 6.688 8.887 -3.160 559 HE2 PHE 75 HE1 PHE 75 5.338 6.270 -6.306 560 HZ PHE 75 HZ PHE 75 5.090 8.373 -4.994 561 H GLN 76 H GLN 76 12.217 4.128 -5.941 562 HA GLN 76 HA GLN 76 13.925 2.686 -5.669 563 HB2 GLN 76 2HB GLN 76 14.624 4.589 -3.410 564 HB3 GLN 76 3HB GLN 76 15.735 3.467 -4.208 565 HG2 GLN 76 2HG GLN 76 15.333 4.613 -6.384 566 HG3 GLN 76 3HG GLN 76 14.300 5.790 -5.564 567 HE21 GLN 76 1HE2 GLN 76 15.345 7.181 -3.846 568 HE22 GLN 76 2HE2 GLN 76 17.063 7.509 -4.012 569 H VAL 77 H VAL 77 11.699 1.494 -4.627 570 HA VAL 77 HA VAL 77 12.359 0.282 -2.016 571 HB VAL 77 HB VAL 77 10.085 -0.303 -3.956 572 HG11 VAL 77 1HG1 VAL 77 10.528 -2.310 -2.604 573 HG12 VAL 77 2HG1 VAL 77 10.591 -1.326 -1.120 574 HG13 VAL 77 3HG1 VAL 77 9.076 -1.511 -2.020 575 HG21 VAL 77 3HG2 VAL 77 9.910 1.920 -2.902 576 HG22 VAL 77 1HG2 VAL 77 8.720 0.826 -2.189 577 HG23 VAL 77 2HG2 VAL 77 10.207 1.201 -1.300 578 H VAL 78 H VAL 78 13.462 -1.411 -1.653 579 HA VAL 78 HA VAL 78 14.178 -3.326 -3.841 580 HB VAL 78 HB VAL 78 16.386 -3.510 -2.787 581 HG11 VAL 78 1HG1 VAL 78 15.730 -0.646 -3.558 582 HG12 VAL 78 2HG1 VAL 78 17.316 -1.437 -3.619 583 HG13 VAL 78 3HG1 VAL 78 16.018 -1.982 -4.695 584 HG21 VAL 78 3HG2 VAL 78 15.824 -2.764 -0.477 585 HG22 VAL 78 1HG2 VAL 78 17.196 -1.890 -1.169 586 HG23 VAL 78 2HG2 VAL 78 15.611 -1.104 -1.084 587 H SER 79 H SER 79 12.590 -3.150 -0.914 588 HA SER 79 HA SER 79 12.976 -6.058 -0.333 589 HB2 SER 79 2HB SER 79 12.468 -3.809 1.651 590 HB3 SER 79 3HB SER 79 12.477 -5.543 2.032 591 HG SER 79 HG SER 79 14.506 -4.562 2.478 592 H ILE 80 H ILE 80 11.086 -7.201 0.305 593 HA ILE 80 HA ILE 80 8.499 -5.796 0.005 594 HB ILE 80 HB ILE 80 7.611 -7.599 -1.397 595 HG12 ILE 80 2HG1 ILE 80 10.512 -8.448 -1.834 596 HG13 ILE 80 3HG1 ILE 80 9.325 -9.358 -0.900 597 HG21 ILE 80 1HG2 ILE 80 9.920 -6.163 -2.749 598 HG22 ILE 80 2HG2 ILE 80 8.390 -6.688 -3.477 599 HG23 ILE 80 3HG2 ILE 80 8.396 -5.385 -2.288 600 HD11 ILE 80 3HD1 ILE 80 9.205 -8.803 -3.885 601 HD12 ILE 80 1HD1 ILE 80 9.489 -10.350 -3.074 602 HD13 ILE 80 2HD1 ILE 80 7.904 -9.568 -2.938 603 HA PRO 81 HA PRO 81 6.278 -6.154 0.298 604 HB2 PRO 81 2HB PRO 81 4.517 -5.825 2.341 605 HB3 PRO 81 3HB PRO 81 4.497 -7.280 1.293 606 HG2 PRO 81 2HG PRO 81 5.782 -6.940 4.027 607 HG3 PRO 81 3HG PRO 81 4.700 -8.254 3.472 608 HD2 PRO 81 2HD PRO 81 7.422 -8.500 3.444 609 HD3 PRO 81 3HD PRO 81 6.397 -9.228 2.169 610 H THR 82 H THR 82 6.298 -3.932 0.450 611 HA THR 82 HA THR 82 7.414 -2.630 2.909 612 HB THR 82 HB THR 82 8.023 -1.961 0.020 613 HG1 THR 82 HG1 THR 82 9.626 -3.146 0.658 614 HG21 THR 82 3HG2 THR 82 8.534 -0.301 2.526 615 HG22 THR 82 1HG2 THR 82 7.578 0.179 1.103 616 HG23 THR 82 2HG2 THR 82 9.326 -0.043 0.954 617 H LEU 83 H LEU 83 5.907 -1.548 3.870 618 HA LEU 83 HA LEU 83 3.451 -0.702 2.403 619 HB2 LEU 83 2HB LEU 83 4.094 -1.359 5.297 620 HB3 LEU 83 3HB LEU 83 2.606 -0.536 4.849 621 HG LEU 83 HG LEU 83 3.350 -3.155 3.490 622 HD11 LEU 83 1HD1 LEU 83 1.862 -2.877 6.127 623 HD12 LEU 83 2HD1 LEU 83 3.458 -3.618 5.894 624 HD13 LEU 83 3HD1 LEU 83 2.024 -4.362 5.168 625 HD21 LEU 83 3HD2 LEU 83 0.916 -3.339 3.236 626 HD22 LEU 83 1HD2 LEU 83 1.469 -1.790 2.580 627 HD23 LEU 83 2HD2 LEU 83 0.675 -1.843 4.163 628 H ILE 84 H ILE 84 3.181 1.381 1.944 629 HA ILE 84 HA ILE 84 4.416 3.429 3.721 630 HB ILE 84 HB ILE 84 5.764 3.564 1.792 631 HG12 ILE 84 2HG1 ILE 84 3.658 5.745 1.485 632 HG13 ILE 84 3HG1 ILE 84 4.808 5.682 2.817 633 HG21 ILE 84 1HG2 ILE 84 3.238 3.646 0.112 634 HG22 ILE 84 2HG2 ILE 84 4.889 3.888 -0.500 635 HG23 ILE 84 3HG2 ILE 84 4.422 2.324 0.164 636 HD11 ILE 84 3HD1 ILE 84 6.679 5.928 1.276 637 HD12 ILE 84 1HD1 ILE 84 5.534 6.033 -0.091 638 HD13 ILE 84 2HD1 ILE 84 5.496 7.252 1.198 639 H LEU 85 H LEU 85 3.230 5.031 4.350 640 HA LEU 85 HA LEU 85 0.384 5.184 3.450 641 HB2 LEU 85 2HB LEU 85 0.695 4.610 5.791 642 HB3 LEU 85 3HB LEU 85 1.757 6.000 6.027 643 HG LEU 85 HG LEU 85 -0.060 7.546 5.617 644 HD11 LEU 85 1HD1 LEU 85 -1.505 6.346 4.048 645 HD12 LEU 85 2HD1 LEU 85 -2.432 6.689 5.499 646 HD13 LEU 85 3HD1 LEU 85 -1.792 5.052 5.232 647 HD21 LEU 85 3HD2 LEU 85 -0.815 5.304 7.564 648 HD22 LEU 85 1HD2 LEU 85 -1.419 6.971 7.637 649 HD23 LEU 85 2HD2 LEU 85 0.303 6.633 7.909 650 H PHE 86 H PHE 86 -0.201 6.813 2.253 651 HA PHE 86 HA PHE 86 1.307 9.382 2.209 652 HB2 PHE 86 2HB PHE 86 -0.605 8.154 0.187 653 HB3 PHE 86 3HB PHE 86 0.079 9.762 0.063 654 HD1 PHE 86 HD1 PHE 86 0.856 6.134 -0.112 655 HD2 PHE 86 HD2 PHE 86 2.318 10.141 -0.739 656 HE1 PHE 86 HE1 PHE 86 2.748 5.245 -1.457 657 HE2 PHE 86 HE2 PHE 86 4.233 9.243 -2.032 658 HZ PHE 86 HZ PHE 86 4.452 6.791 -2.390 659 H LYS 87 H LYS 87 0.149 11.334 2.319 660 HA LYS 87 HA LYS 87 -2.782 11.340 2.737 661 HB2 LYS 87 2HB LYS 87 -1.635 11.170 5.003 662 HB3 LYS 87 3HB LYS 87 -0.833 12.699 4.658 663 HG2 LYS 87 2HG LYS 87 -2.676 13.120 6.108 664 HG3 LYS 87 3HG LYS 87 -3.082 13.806 4.530 665 HD2 LYS 87 2HD LYS 87 -4.562 11.888 4.051 666 HD3 LYS 87 3HD LYS 87 -3.991 11.062 5.507 667 HE2 LYS 87 2HE LYS 87 -6.155 11.975 5.991 668 HE3 LYS 87 3HE LYS 87 -4.953 12.865 6.921 669 HZ1 LYS 87 3HZ LYS 87 -5.105 14.669 5.294 670 HZ2 LYS 87 1HZ LYS 87 -6.613 14.325 5.806 671 HZ3 LYS 87 2HZ LYS 87 -6.114 13.814 4.331 672 H ASP 88 H ASP 88 -3.691 13.048 1.653 673 HA ASP 88 HA ASP 88 -3.811 14.640 0.055 674 HB2 ASP 88 2HB ASP 88 -3.480 16.016 2.096 675 HB3 ASP 88 3HB ASP 88 -1.767 16.145 1.695 676 H GLY 89 H GLY 89 -2.134 12.500 -0.585 677 HA2 GLY 89 2HA GLY 89 -0.781 11.776 -2.262 678 HA3 GLY 89 3HA GLY 89 -0.676 13.425 -2.893 679 H GLN 90 H GLN 90 0.317 13.549 0.332 680 HA GLN 90 HA GLN 90 3.142 13.560 -0.490 681 HB2 GLN 90 2HB GLN 90 2.049 14.513 2.168 682 HB3 GLN 90 3HB GLN 90 3.591 14.900 1.417 683 HG2 GLN 90 2HG GLN 90 0.824 15.890 0.645 684 HG3 GLN 90 3HG GLN 90 2.165 16.831 1.265 685 HE21 GLN 90 1HE2 GLN 90 0.494 16.147 -1.546 686 HE22 GLN 90 2HE2 GLN 90 1.773 16.553 -2.697 687 HA PRO 91 HA PRO 91 3.726 9.707 1.779 688 HB2 PRO 91 2HB PRO 91 6.440 9.631 2.049 689 HB3 PRO 91 3HB PRO 91 5.616 9.407 0.473 690 HG2 PRO 91 2HG PRO 91 6.854 11.952 1.558 691 HG3 PRO 91 3HG PRO 91 7.084 11.204 -0.055 692 HD2 PRO 91 2HD PRO 91 5.290 13.217 0.368 693 HD3 PRO 91 3HD PRO 91 4.949 11.888 -0.784 694 H VAL 92 H VAL 92 3.550 9.226 3.927 695 HA VAL 92 HA VAL 92 4.348 11.324 5.920 696 HB VAL 92 HB VAL 92 2.168 9.244 6.262 697 HG11 VAL 92 1HG1 VAL 92 3.022 10.106 8.385 698 HG12 VAL 92 2HG1 VAL 92 2.945 11.777 7.780 699 HG13 VAL 92 3HG1 VAL 92 1.459 10.863 8.061 700 HG21 VAL 92 3HG2 VAL 92 1.936 12.163 5.406 701 HG22 VAL 92 1HG2 VAL 92 1.479 10.737 4.447 702 HG23 VAL 92 2HG2 VAL 92 0.586 11.123 5.919 703 H LYS 93 H LYS 93 4.111 7.752 5.573 704 HA LYS 93 HA LYS 93 6.693 7.447 6.892 705 HB2 LYS 93 2HB LYS 93 5.990 5.945 8.656 706 HB3 LYS 93 3HB LYS 93 5.269 7.532 8.879 707 HG2 LYS 93 2HG LYS 93 3.082 6.714 8.117 708 HG3 LYS 93 3HG LYS 93 3.785 5.159 7.648 709 HD2 LYS 93 2HD LYS 93 2.714 4.777 9.722 710 HD3 LYS 93 3HD LYS 93 4.452 4.766 10.024 711 HE2 LYS 93 2HE LYS 93 4.073 7.326 10.632 712 HE3 LYS 93 3HE LYS 93 2.373 6.853 10.741 713 HZ1 LYS 93 3HZ LYS 93 3.249 5.018 12.289 714 HZ2 LYS 93 1HZ LYS 93 3.258 6.577 12.888 715 HZ3 LYS 93 2HZ LYS 93 4.637 5.856 12.362 716 H ARG 94 H ARG 94 7.682 5.476 6.523 717 HA ARG 94 HA ARG 94 6.232 3.413 4.942 718 HB2 ARG 94 2HB ARG 94 7.438 4.846 3.351 719 HB3 ARG 94 3HB ARG 94 8.953 4.577 4.218 720 HG2 ARG 94 2HG ARG 94 8.939 2.198 3.625 721 HG3 ARG 94 3HG ARG 94 7.301 2.330 2.979 722 HD2 ARG 94 2HD ARG 94 8.758 2.301 1.110 723 HD3 ARG 94 3HD ARG 94 8.166 3.959 1.260 724 HE ARG 94 HE ARG 94 10.630 3.767 2.684 725 HH11 ARG 94 1HH1 ARG 94 9.529 3.615 -0.622 726 HH12 ARG 94 2HH1 ARG 94 11.079 4.099 -1.271 727 HH21 ARG 94 1HH2 ARG 94 12.592 4.429 1.786 728 HH22 ARG 94 2HH2 ARG 94 12.732 4.565 0.056 729 H ILE 95 H ILE 95 6.669 1.383 5.417 730 HA ILE 95 HA ILE 95 9.025 0.742 7.123 731 HB ILE 95 HB ILE 95 6.524 -0.871 7.550 732 HG12 ILE 95 2HG1 ILE 95 6.157 0.577 9.670 733 HG13 ILE 95 3HG1 ILE 95 6.949 1.873 8.790 734 HG21 ILE 95 1HG2 ILE 95 8.716 -1.597 8.426 735 HG22 ILE 95 2HG2 ILE 95 8.917 -0.037 9.261 736 HG23 ILE 95 3HG2 ILE 95 7.660 -1.165 9.766 737 HD11 ILE 95 3HD1 ILE 95 5.127 1.758 7.068 738 HD12 ILE 95 1HD1 ILE 95 4.435 0.356 7.909 739 HD13 ILE 95 2HD1 ILE 95 4.458 1.949 8.687 740 H VAL 96 H VAL 96 10.251 -0.859 6.405 741 HA VAL 96 HA VAL 96 9.526 -2.168 3.881 742 HB VAL 96 HB VAL 96 11.907 -2.783 3.743 743 HG11 VAL 96 1HG1 VAL 96 11.080 -0.693 2.762 744 HG12 VAL 96 2HG1 VAL 96 11.406 0.172 4.280 745 HG13 VAL 96 3HG1 VAL 96 12.741 -0.528 3.342 746 HG21 VAL 96 3HG2 VAL 96 12.439 -2.874 6.195 747 HG22 VAL 96 1HG2 VAL 96 13.545 -1.847 5.275 748 HG23 VAL 96 2HG2 VAL 96 12.281 -1.106 6.271 749 H GLY 97 H GLY 97 8.007 -3.204 5.949 750 HA2 GLY 97 2HA GLY 97 8.565 -6.039 5.713 751 HA3 GLY 97 3HA GLY 97 8.840 -5.452 7.354 752 H ALA 98 H ALA 98 7.073 -7.342 7.200 753 HA ALA 98 HA ALA 98 4.411 -6.668 6.457 754 HB1 ALA 98 3HB ALA 98 3.855 -8.825 7.548 755 HB2 ALA 98 1HB ALA 98 5.237 -8.943 6.449 756 HB3 ALA 98 2HB ALA 98 5.499 -8.899 8.209 757 H LYS 99 H LYS 99 2.527 -6.426 7.786 758 HA LYS 99 HA LYS 99 2.776 -6.145 10.717 759 HB2 LYS 99 2HB LYS 99 1.607 -4.000 8.897 760 HB3 LYS 99 3HB LYS 99 0.931 -4.284 10.488 761 HG2 LYS 99 2HG LYS 99 2.374 -2.729 11.152 762 HG3 LYS 99 3HG LYS 99 3.469 -4.102 11.282 763 HD2 LYS 99 2HD LYS 99 4.145 -3.488 8.820 764 HD3 LYS 99 3HD LYS 99 3.326 -1.957 9.124 765 HE2 LYS 99 2HE LYS 99 5.657 -3.167 10.678 766 HE3 LYS 99 3HE LYS 99 5.751 -1.821 9.545 767 HZ1 LYS 99 3HZ LYS 99 5.726 -1.126 11.910 768 HZ2 LYS 99 1HZ LYS 99 4.230 -1.722 12.103 769 HZ3 LYS 99 2HZ LYS 99 4.499 -0.437 11.117 770 H GLY 100 H GLY 100 0.852 -6.575 11.867 771 HA2 GLY 100 2HA GLY 100 -1.228 -8.180 10.492 772 HA3 GLY 100 3HA GLY 100 -1.017 -7.979 12.233 773 H LYS 101 H LYS 101 -3.521 -7.611 11.132 774 HA LYS 101 HA LYS 101 -4.166 -5.093 10.117 775 HB2 LYS 101 2HB LYS 101 -5.472 -7.320 10.278 776 HB3 LYS 101 3HB LYS 101 -5.964 -6.800 11.896 777 HG2 LYS 101 2HG LYS 101 -7.058 -4.802 10.922 778 HG3 LYS 101 3HG LYS 101 -6.381 -5.213 9.333 779 HD2 LYS 101 2HD LYS 101 -8.666 -5.873 9.342 780 HD3 LYS 101 3HD LYS 101 -7.639 -7.326 9.321 781 HE2 LYS 101 2HE LYS 101 -8.069 -7.767 11.651 782 HE3 LYS 101 3HE LYS 101 -8.815 -6.179 11.884 783 HZ1 LYS 101 3HZ LYS 101 -9.918 -8.295 10.110 784 HZ2 LYS 101 1HZ LYS 101 -10.626 -6.854 10.436 785 HZ3 LYS 101 2HZ LYS 101 -10.477 -7.975 11.627 786 H ALA 102 H ALA 102 -3.770 -5.941 13.489 787 HA ALA 102 HA ALA 102 -5.030 -3.530 14.537 788 HB1 ALA 102 3HB ALA 102 -4.846 -5.595 15.863 789 HB2 ALA 102 1HB ALA 102 -3.071 -5.479 15.834 790 HB3 ALA 102 2HB ALA 102 -4.032 -4.244 16.676 791 H ALA 103 H ALA 103 -1.624 -4.490 13.952 792 HA ALA 103 HA ALA 103 -0.464 -1.996 14.774 793 HB1 ALA 103 3HB ALA 103 0.781 -4.116 14.707 794 HB2 ALA 103 1HB ALA 103 0.594 -4.194 12.941 795 HB3 ALA 103 2HB ALA 103 1.558 -2.897 13.681 796 H LEU 104 H LEU 104 -1.412 -3.245 11.517 797 HA LEU 104 HA LEU 104 -0.478 -0.915 10.115 798 HB2 LEU 104 2HB LEU 104 -0.928 -3.308 9.297 799 HB3 LEU 104 3HB LEU 104 -2.621 -2.843 9.183 800 HG LEU 104 HG LEU 104 -2.067 -1.135 7.509 801 HD11 LEU 104 1HD1 LEU 104 0.095 -0.298 8.143 802 HD12 LEU 104 2HD1 LEU 104 0.319 -1.070 6.581 803 HD13 LEU 104 3HD1 LEU 104 0.826 -1.918 8.054 804 HD21 LEU 104 3HD2 LEU 104 -2.451 -3.400 6.723 805 HD22 LEU 104 1HD2 LEU 104 -0.752 -3.847 7.011 806 HD23 LEU 104 2HD2 LEU 104 -1.172 -2.697 5.736 807 H LEU 105 H LEU 105 -3.746 -1.709 11.439 808 HA LEU 105 HA LEU 105 -4.889 0.775 10.546 809 HB2 LEU 105 2HB LEU 105 -6.198 -1.239 11.257 810 HB3 LEU 105 3HB LEU 105 -5.704 -0.915 12.915 811 HG LEU 105 HG LEU 105 -6.926 1.205 12.926 812 HD11 LEU 105 1HD1 LEU 105 -8.446 1.799 11.037 813 HD12 LEU 105 2HD1 LEU 105 -7.681 0.533 10.048 814 HD13 LEU 105 3HD1 LEU 105 -6.747 1.944 10.600 815 HD21 LEU 105 3HD2 LEU 105 -8.116 -0.872 13.512 816 HD22 LEU 105 1HD2 LEU 105 -8.607 -1.077 11.815 817 HD23 LEU 105 2HD2 LEU 105 -9.205 0.305 12.759 818 H ARG 106 H ARG 106 -3.033 -0.078 13.526 819 HA ARG 106 HA ARG 106 -3.414 2.522 14.742 820 HB2 ARG 106 2HB ARG 106 -2.758 0.581 16.070 821 HB3 ARG 106 3HB ARG 106 -1.267 0.403 15.148 822 HG2 ARG 106 2HG ARG 106 -0.829 1.411 17.326 823 HG3 ARG 106 3HG ARG 106 -0.404 2.516 16.026 824 HD2 ARG 106 2HD ARG 106 -2.687 3.655 16.411 825 HD3 ARG 106 3HD ARG 106 -2.864 2.617 17.822 826 HE ARG 106 HE ARG 106 -1.302 3.909 18.967 827 HH11 ARG 106 1HH1 ARG 106 -1.117 4.883 15.560 828 HH12 ARG 106 2HH1 ARG 106 -0.102 6.259 15.986 829 HH21 ARG 106 1HH2 ARG 106 -0.002 5.717 19.310 830 HH22 ARG 106 2HH2 ARG 106 0.474 6.690 17.940 831 H GLU 107 H GLU 107 -0.890 1.304 12.544 832 HA GLU 107 HA GLU 107 0.671 3.706 12.395 833 HB2 GLU 107 2HB GLU 107 0.108 1.532 10.334 834 HB3 GLU 107 3HB GLU 107 1.317 2.784 10.121 835 HG2 GLU 107 2HG GLU 107 1.448 1.018 12.540 836 HG3 GLU 107 3HG GLU 107 1.999 0.427 10.978 837 H LEU 108 H LEU 108 -2.252 2.689 10.607 838 HA LEU 108 HA LEU 108 -2.550 5.122 9.094 839 HB2 LEU 108 2HB LEU 108 -4.057 2.639 9.716 840 HB3 LEU 108 3HB LEU 108 -5.111 3.986 9.440 841 HG LEU 108 HG LEU 108 -2.835 3.270 7.526 842 HD11 LEU 108 1HD1 LEU 108 -5.716 2.295 7.541 843 HD12 LEU 108 2HD1 LEU 108 -4.245 1.317 7.702 844 HD13 LEU 108 3HD1 LEU 108 -4.594 2.128 6.166 845 HD21 LEU 108 3HD2 LEU 108 -3.747 5.541 7.250 846 HD22 LEU 108 1HD2 LEU 108 -5.395 4.902 7.206 847 HD23 LEU 108 2HD2 LEU 108 -4.251 4.518 5.897 848 H SER 109 H SER 109 -3.868 4.153 12.251 849 HA SER 109 HA SER 109 -5.424 6.530 12.690 850 HB2 SER 109 2HB SER 109 -4.276 4.629 14.765 851 HB3 SER 109 3HB SER 109 -5.606 5.772 14.998 852 HG SER 109 HG SER 109 -5.564 3.573 13.177 853 H ASP 110 H ASP 110 -2.027 5.872 13.029 854 HA ASP 110 HA ASP 110 -1.290 8.110 14.629 855 HB2 ASP 110 2HB ASP 110 0.035 6.000 13.538 856 HB3 ASP 110 3HB ASP 110 0.455 7.217 12.345 857 H VAL 111 H VAL 111 -2.723 8.105 11.522 858 HA VAL 111 HA VAL 111 -1.845 10.902 10.913 859 HB VAL 111 HB VAL 111 -2.456 8.629 8.983 860 HG11 VAL 111 1HG1 VAL 111 -3.094 10.807 8.007 861 HG12 VAL 111 2HG1 VAL 111 -1.504 11.479 8.438 862 HG13 VAL 111 3HG1 VAL 111 -1.640 10.177 7.235 863 HG21 VAL 111 3HG2 VAL 111 -0.004 8.956 8.373 864 HG22 VAL 111 1HG2 VAL 111 0.153 9.966 9.825 865 HG23 VAL 111 2HG2 VAL 111 -0.279 8.248 9.966 866 H VAL 112 H VAL 112 -4.539 8.522 10.576 867 HA VAL 112 HA VAL 112 -6.403 10.775 10.092 868 HB VAL 112 HB VAL 112 -6.316 8.814 8.566 869 HG11 VAL 112 1HG1 VAL 112 -6.292 6.966 10.252 870 HG12 VAL 112 2HG1 VAL 112 -7.969 7.368 10.667 871 HG13 VAL 112 3HG1 VAL 112 -7.565 6.812 9.033 872 HG21 VAL 112 3HG2 VAL 112 -8.165 10.444 8.585 873 HG22 VAL 112 1HG2 VAL 112 -8.713 8.820 8.154 874 HG23 VAL 112 2HG2 VAL 112 -9.028 9.447 9.782 875 HA PRO 113 HA PRO 113 -7.946 10.551 14.304 876 HB2 PRO 113 2HB PRO 113 -10.516 11.516 13.044 877 HB3 PRO 113 3HB PRO 113 -9.695 12.096 14.526 878 HG2 PRO 113 2HG PRO 113 -9.469 13.496 12.224 879 HG3 PRO 113 3HG PRO 113 -8.014 13.218 13.237 880 HD2 PRO 113 2HD PRO 113 -8.894 11.704 10.761 881 HD3 PRO 113 3HD PRO 113 -7.276 12.348 11.184 882 H ASN 114 H ASN 114 -8.643 8.767 15.359 883 HA ASN 114 HA ASN 114 -10.880 7.118 14.464 884 HB2 ASN 114 2HB ASN 114 -8.868 6.386 13.078 885 HB3 ASN 114 3HB ASN 114 -8.041 5.989 14.580 886 HD21 ASN 114 1HD2 ASN 114 -7.891 3.850 13.540 887 HD22 ASN 114 2HD2 ASN 114 -9.282 2.760 13.648 888 H LEU 115 H LEU 115 -11.537 5.657 16.061 889 HA LEU 115 HA LEU 115 -10.856 6.214 18.849 890 HB2 LEU 115 2HB LEU 115 -13.148 5.683 18.058 891 HB3 LEU 115 3HB LEU 115 -12.603 4.089 17.539 892 HG LEU 115 HG LEU 115 -12.138 3.465 19.897 893 HD11 LEU 115 1HD1 LEU 115 -13.007 4.910 21.729 894 HD12 LEU 115 2HD1 LEU 115 -13.309 6.209 20.552 895 HD13 LEU 115 3HD1 LEU 115 -11.649 5.663 20.893 896 HD21 LEU 115 3HD2 LEU 115 -14.341 3.010 18.890 897 HD22 LEU 115 1HD2 LEU 115 -14.931 4.591 19.449 898 HD23 LEU 115 2HD2 LEU 115 -14.475 3.337 20.625 899 H ASN 116 H ASN 116 -9.949 3.858 16.442 900 HA ASN 116 HA ASN 116 -8.603 2.072 16.316 901 HB2 ASN 116 2HB ASN 116 -6.982 3.948 16.750 902 HB3 ASN 116 3HB ASN 116 -6.913 3.439 18.436 903 HD21 ASN 116 1HD2 ASN 116 -6.260 2.434 15.088 904 HD22 ASN 116 2HD2 ASN 116 -5.124 1.157 15.527 Start of MODEL 4 1 H1 MET 1 1H MET 1 -25.039 -1.522 -3.104 2 HA MET 1 HA MET 1 -23.131 -2.597 -4.099 3 HB2 MET 1 2HB MET 1 -23.271 -2.919 -1.066 4 HB3 MET 1 3HB MET 1 -21.797 -3.068 -2.019 5 HG2 MET 1 2HG MET 1 -23.509 -0.578 -1.730 6 HG3 MET 1 3HG MET 1 -21.929 -0.860 -1.023 7 HE1 MET 1 3HE MET 1 -20.087 -2.040 -3.312 8 HE2 MET 1 1HE MET 1 -19.461 -0.531 -4.004 9 HE3 MET 1 2HE MET 1 -19.655 -0.683 -2.245 10 H THR 2 H THR 2 -21.800 -4.455 -4.358 11 HA THR 2 HA THR 2 -23.195 -6.928 -4.663 12 HB THR 2 HB THR 2 -20.185 -6.496 -4.628 13 HG1 THR 2 HG1 THR 2 -20.439 -6.074 -6.828 14 HG21 THR 2 3HG2 THR 2 -20.818 -8.880 -4.776 15 HG22 THR 2 1HG2 THR 2 -20.192 -8.316 -6.326 16 HG23 THR 2 2HG2 THR 2 -21.945 -8.514 -6.103 17 H ASP 3 H ASP 3 -23.287 -8.771 -3.430 18 HA ASP 3 HA ASP 3 -22.447 -8.576 -0.642 19 HB2 ASP 3 2HB ASP 3 -24.722 -9.297 -1.360 20 HB3 ASP 3 3HB ASP 3 -24.013 -10.780 -2.001 21 H SER 4 H SER 4 -20.228 -8.725 -2.345 22 HA SER 4 HA SER 4 -18.787 -11.051 -1.312 23 HB2 SER 4 2HB SER 4 -19.882 -11.847 -3.458 24 HB3 SER 4 3HB SER 4 -18.919 -10.633 -4.325 25 HG SER 4 HG SER 4 -17.924 -12.733 -4.241 26 H GLU 5 H GLU 5 -16.516 -10.895 -1.701 27 HA GLU 5 HA GLU 5 -14.543 -9.897 -1.361 28 HB2 GLU 5 2HB GLU 5 -15.405 -7.939 -3.503 29 HB3 GLU 5 3HB GLU 5 -13.768 -8.175 -2.896 30 HG2 GLU 5 2HG GLU 5 -13.856 -10.526 -3.629 31 HG3 GLU 5 3HG GLU 5 -15.448 -10.232 -4.326 32 H LYS 6 H LYS 6 -16.710 -7.105 -1.641 33 HA LYS 6 HA LYS 6 -17.053 -5.219 -0.447 34 HB2 LYS 6 2HB LYS 6 -16.657 -7.090 1.910 35 HB3 LYS 6 3HB LYS 6 -17.518 -5.547 1.930 36 HG2 LYS 6 2HG LYS 6 -19.111 -6.435 0.212 37 HG3 LYS 6 3HG LYS 6 -18.305 -8.010 0.317 38 HD2 LYS 6 2HD LYS 6 -18.876 -8.149 2.729 39 HD3 LYS 6 3HD LYS 6 -19.732 -6.589 2.603 40 HE2 LYS 6 2HE LYS 6 -21.195 -7.545 0.837 41 HE3 LYS 6 3HE LYS 6 -20.345 -9.092 0.964 42 HZ1 LYS 6 3HZ LYS 6 -22.393 -9.137 2.213 43 HZ2 LYS 6 1HZ LYS 6 -21.957 -7.844 3.125 44 HZ3 LYS 6 2HZ LYS 6 -21.143 -9.260 3.264 45 H SER 7 H SER 7 -13.894 -6.200 -0.377 46 HA SER 7 HA SER 7 -12.835 -4.275 1.489 47 HB2 SER 7 2HB SER 7 -10.649 -4.957 0.503 48 HB3 SER 7 3HB SER 7 -11.638 -6.291 1.097 49 HG SER 7 HG SER 7 -10.898 -5.658 -1.510 50 H ALA 8 H ALA 8 -12.064 -2.234 1.221 51 HA ALA 8 HA ALA 8 -12.537 -0.850 -1.265 52 HB1 ALA 8 3HB ALA 8 -11.202 0.119 1.287 53 HB2 ALA 8 1HB ALA 8 -11.771 1.127 -0.056 54 HB3 ALA 8 2HB ALA 8 -12.938 0.206 0.908 55 H THR 9 H THR 9 -11.021 -2.655 -2.257 56 HA THR 9 HA THR 9 -8.159 -1.849 -2.188 57 HB THR 9 HB THR 9 -7.771 -4.239 -3.005 58 HG1 THR 9 HG1 THR 9 -9.894 -4.802 -3.465 59 HG21 THR 9 3HG2 THR 9 -8.867 -3.749 -0.217 60 HG22 THR 9 1HG2 THR 9 -7.190 -3.506 -0.744 61 HG23 THR 9 2HG2 THR 9 -7.879 -5.140 -0.712 62 H ILE 10 H ILE 10 -6.951 -1.579 -3.951 63 HA ILE 10 HA ILE 10 -7.995 -2.146 -6.683 64 HB ILE 10 HB ILE 10 -7.280 0.059 -7.482 65 HG12 ILE 10 2HG1 ILE 10 -6.867 0.856 -4.566 66 HG13 ILE 10 3HG1 ILE 10 -5.577 0.547 -5.732 67 HG21 ILE 10 1HG2 ILE 10 -9.294 0.438 -5.241 68 HG22 ILE 10 2HG2 ILE 10 -9.173 1.338 -6.765 69 HG23 ILE 10 3HG2 ILE 10 -9.651 -0.359 -6.789 70 HD11 ILE 10 3HD1 ILE 10 -5.876 2.918 -5.545 71 HD12 ILE 10 1HD1 ILE 10 -6.428 2.412 -7.154 72 HD13 ILE 10 2HD1 ILE 10 -7.610 2.800 -5.876 73 H LYS 11 H LYS 11 -6.298 -1.862 -8.356 74 HA LYS 11 HA LYS 11 -3.501 -2.151 -7.340 75 HB2 LYS 11 2HB LYS 11 -4.278 -4.267 -8.400 76 HB3 LYS 11 3HB LYS 11 -4.607 -3.372 -9.896 77 HG2 LYS 11 2HG LYS 11 -2.193 -2.685 -9.956 78 HG3 LYS 11 3HG LYS 11 -1.896 -3.678 -8.517 79 HD2 LYS 11 2HD LYS 11 -2.586 -5.675 -9.806 80 HD3 LYS 11 3HD LYS 11 -2.879 -4.665 -11.230 81 HE2 LYS 11 2HE LYS 11 -0.201 -4.997 -9.785 82 HE3 LYS 11 3HE LYS 11 -0.649 -5.807 -11.285 83 HZ1 LYS 11 3HZ LYS 11 -0.797 -3.617 -12.351 84 HZ2 LYS 11 1HZ LYS 11 0.701 -3.859 -11.746 85 HZ3 LYS 11 2HZ LYS 11 -0.339 -2.853 -10.973 86 H VAL 12 H VAL 12 -1.979 -0.882 -8.253 87 HA VAL 12 HA VAL 12 -2.800 1.063 -10.371 88 HB VAL 12 HB VAL 12 -1.265 2.712 -9.388 89 HG11 VAL 12 1HG1 VAL 12 -3.437 1.798 -7.461 90 HG12 VAL 12 2HG1 VAL 12 -2.742 3.422 -7.599 91 HG13 VAL 12 3HG1 VAL 12 -3.697 2.754 -8.935 92 HG21 VAL 12 3HG2 VAL 12 -1.168 0.910 -6.931 93 HG22 VAL 12 1HG2 VAL 12 0.190 1.189 -8.039 94 HG23 VAL 12 2HG2 VAL 12 -0.478 2.530 -7.095 95 H THR 13 H THR 13 -0.973 2.015 -11.514 96 HA THR 13 HA THR 13 1.344 0.236 -12.079 97 HB THR 13 HB THR 13 1.148 0.809 -14.459 98 HG1 THR 13 HG1 THR 13 -0.721 1.819 -15.204 99 HG21 THR 13 3HG2 THR 13 -0.758 -0.535 -15.103 100 HG22 THR 13 1HG2 THR 13 -1.508 -0.335 -13.506 101 HG23 THR 13 2HG2 THR 13 0.005 -1.261 -13.678 102 H ASP 14 H ASP 14 3.040 1.623 -13.354 103 HA ASP 14 HA ASP 14 3.758 3.974 -11.916 104 HB2 ASP 14 2HB ASP 14 5.355 2.671 -13.167 105 HB3 ASP 14 3HB ASP 14 4.505 2.975 -14.683 106 H ALA 15 H ALA 15 1.712 3.648 -14.816 107 HA ALA 15 HA ALA 15 1.518 6.531 -15.271 108 HB1 ALA 15 3HB ALA 15 -0.115 5.861 -16.982 109 HB2 ALA 15 1HB ALA 15 1.371 4.902 -17.112 110 HB3 ALA 15 2HB ALA 15 -0.088 4.190 -16.382 111 H SER 16 H SER 16 -0.490 4.063 -13.635 112 HA SER 16 HA SER 16 -2.735 5.873 -13.215 113 HB2 SER 16 2HB SER 16 -2.267 3.181 -11.908 114 HB3 SER 16 3HB SER 16 -3.789 4.060 -12.066 115 HG SER 16 HG SER 16 -2.252 2.777 -14.072 116 H PHE 17 H PHE 17 0.119 5.057 -11.332 117 HA PHE 17 HA PHE 17 -0.733 5.321 -8.728 118 HB2 PHE 17 2HB PHE 17 1.592 4.766 -9.761 119 HB3 PHE 17 3HB PHE 17 1.907 6.485 -9.689 120 HD1 PHE 17 HD1 PHE 17 1.783 7.620 -7.354 121 HD2 PHE 17 HD2 PHE 17 1.840 3.348 -7.922 122 HE1 PHE 17 HE1 PHE 17 2.399 7.305 -4.963 123 HE2 PHE 17 HE2 PHE 17 2.517 3.045 -5.561 124 HZ PHE 17 HZ PHE 17 2.775 5.025 -4.073 125 H ALA 18 H ALA 18 0.183 8.037 -10.894 126 HA ALA 18 HA ALA 18 -0.151 10.023 -8.873 127 HB1 ALA 18 3HB ALA 18 1.278 10.347 -10.825 128 HB2 ALA 18 1HB ALA 18 -0.143 10.289 -11.902 129 HB3 ALA 18 2HB ALA 18 0.047 11.618 -10.734 130 H THR 19 H THR 19 -2.451 8.536 -11.089 131 HA THR 19 HA THR 19 -4.555 10.537 -10.563 132 HB THR 19 HB THR 19 -4.786 7.895 -12.057 133 HG1 THR 19 HG1 THR 19 -4.014 10.428 -13.084 134 HG21 THR 19 3HG2 THR 19 -6.952 8.966 -11.753 135 HG22 THR 19 1HG2 THR 19 -6.452 9.163 -13.433 136 HG23 THR 19 2HG2 THR 19 -6.308 10.530 -12.302 137 H ASP 20 H ASP 20 -3.652 7.379 -9.315 138 HA ASP 20 HA ASP 20 -6.243 7.164 -7.840 139 HB2 ASP 20 2HB ASP 20 -4.125 5.176 -8.635 140 HB3 ASP 20 3HB ASP 20 -5.315 4.811 -7.390 141 H VAL 21 H VAL 21 -2.763 7.505 -7.158 142 HA VAL 21 HA VAL 21 -3.342 7.309 -4.226 143 HB VAL 21 HB VAL 21 -0.636 7.163 -5.585 144 HG11 VAL 21 1HG1 VAL 21 -1.524 6.461 -2.761 145 HG12 VAL 21 2HG1 VAL 21 0.102 6.252 -3.445 146 HG13 VAL 21 3HG1 VAL 21 -0.548 7.872 -3.229 147 HG21 VAL 21 3HG2 VAL 21 -0.707 4.743 -5.146 148 HG22 VAL 21 1HG2 VAL 21 -2.391 4.878 -4.585 149 HG23 VAL 21 2HG2 VAL 21 -1.965 5.211 -6.280 150 H LEU 22 H LEU 22 -1.297 9.254 -6.475 151 HA LEU 22 HA LEU 22 -0.847 11.259 -4.450 152 HB2 LEU 22 2HB LEU 22 -0.329 11.578 -7.405 153 HB3 LEU 22 3HB LEU 22 0.386 12.488 -6.091 154 HG LEU 22 HG LEU 22 0.853 9.536 -6.647 155 HD11 LEU 22 1HD1 LEU 22 1.942 11.067 -8.259 156 HD12 LEU 22 2HD1 LEU 22 3.124 10.233 -7.238 157 HD13 LEU 22 3HD1 LEU 22 2.710 11.931 -6.911 158 HD21 LEU 22 3HD2 LEU 22 1.035 9.931 -4.231 159 HD22 LEU 22 1HD2 LEU 22 2.085 11.337 -4.524 160 HD23 LEU 22 2HD2 LEU 22 2.642 9.702 -4.927 161 H SER 23 H SER 23 -3.507 10.794 -6.484 162 HA SER 23 HA SER 23 -4.425 13.515 -6.792 163 HB2 SER 23 2HB SER 23 -6.503 12.393 -7.515 164 HB3 SER 23 3HB SER 23 -5.062 11.742 -8.317 165 HG SER 23 HG SER 23 -6.286 10.026 -7.619 166 H SER 24 H SER 24 -4.563 11.235 -4.139 167 HA SER 24 HA SER 24 -7.263 11.991 -3.390 168 HB2 SER 24 2HB SER 24 -6.423 9.655 -3.566 169 HB3 SER 24 3HB SER 24 -5.535 9.929 -2.045 170 HG SER 24 HG SER 24 -7.737 9.069 -1.843 171 H ASN 25 H ASN 25 -7.935 13.287 -1.872 172 HA ASN 25 HA ASN 25 -6.296 14.425 0.272 173 HB2 ASN 25 2HB ASN 25 -8.028 15.777 -0.683 174 HB3 ASN 25 3HB ASN 25 -9.232 14.498 -0.520 175 HD21 ASN 25 1HD2 ASN 25 -7.084 16.563 1.559 176 HD22 ASN 25 2HD2 ASN 25 -8.337 16.755 2.789 177 H LYS 26 H LYS 26 -8.221 11.557 -0.137 178 HA LYS 26 HA LYS 26 -8.674 10.968 2.690 179 HB2 LYS 26 2HB LYS 26 -10.082 10.240 0.689 180 HB3 LYS 26 3HB LYS 26 -8.767 9.149 0.251 181 HG2 LYS 26 2HG LYS 26 -9.080 7.975 2.458 182 HG3 LYS 26 3HG LYS 26 -10.477 9.035 2.766 183 HD2 LYS 26 2HD LYS 26 -11.468 8.213 0.572 184 HD3 LYS 26 3HD LYS 26 -10.093 7.099 0.439 185 HE2 LYS 26 2HE LYS 26 -10.795 6.192 2.730 186 HE3 LYS 26 3HE LYS 26 -12.279 7.126 2.562 187 HZ1 LYS 26 3HZ LYS 26 -12.747 5.872 0.519 188 HZ2 LYS 26 1HZ LYS 26 -12.530 4.829 1.764 189 HZ3 LYS 26 2HZ LYS 26 -11.342 5.032 0.653 190 HA PRO 27 HA PRO 27 -4.662 8.907 3.400 191 HB2 PRO 27 2HB PRO 27 -6.415 6.960 4.906 192 HB3 PRO 27 3HB PRO 27 -4.832 7.644 5.382 193 HG2 PRO 27 2HG PRO 27 -7.116 8.645 6.435 194 HG3 PRO 27 3HG PRO 27 -5.829 9.766 5.882 195 HD2 PRO 27 2HD PRO 27 -8.376 8.988 4.451 196 HD3 PRO 27 3HD PRO 27 -7.614 10.594 4.618 197 H VAL 28 H VAL 28 -3.659 7.558 2.011 198 HA VAL 28 HA VAL 28 -5.099 5.196 0.889 199 HB VAL 28 HB VAL 28 -3.343 7.079 -0.719 200 HG11 VAL 28 1HG1 VAL 28 -4.709 4.447 -1.471 201 HG12 VAL 28 2HG1 VAL 28 -3.961 5.569 -2.625 202 HG13 VAL 28 3HG1 VAL 28 -2.958 4.752 -1.427 203 HG21 VAL 28 3HG2 VAL 28 -5.626 7.950 -0.456 204 HG22 VAL 28 1HG2 VAL 28 -5.397 7.354 -2.102 205 HG23 VAL 28 2HG2 VAL 28 -6.310 6.382 -0.924 206 H LEU 29 H LEU 29 -4.139 3.401 1.372 207 HA LEU 29 HA LEU 29 -1.268 3.296 2.187 208 HB2 LEU 29 2HB LEU 29 -3.248 2.179 3.503 209 HB3 LEU 29 3HB LEU 29 -3.406 1.149 2.120 210 HG LEU 29 HG LEU 29 -1.110 0.281 2.438 211 HD11 LEU 29 1HD1 LEU 29 -0.043 2.136 3.645 212 HD12 LEU 29 2HD1 LEU 29 0.044 0.655 4.598 213 HD13 LEU 29 3HD1 LEU 29 -1.147 1.904 5.018 214 HD21 LEU 29 3HD2 LEU 29 -2.739 -0.007 4.976 215 HD22 LEU 29 1HD2 LEU 29 -1.693 -1.207 4.151 216 HD23 LEU 29 2HD2 LEU 29 -3.221 -0.736 3.434 217 H VAL 30 H VAL 30 0.282 2.477 0.736 218 HA VAL 30 HA VAL 30 -0.740 0.738 -1.468 219 HB VAL 30 HB VAL 30 1.752 2.377 -1.834 220 HG11 VAL 30 1HG1 VAL 30 1.504 0.407 -3.276 221 HG12 VAL 30 2HG1 VAL 30 -0.144 0.906 -3.719 222 HG13 VAL 30 3HG1 VAL 30 1.250 1.869 -4.223 223 HG21 VAL 30 3HG2 VAL 30 -1.056 3.141 -2.726 224 HG22 VAL 30 1HG2 VAL 30 -0.038 4.031 -1.580 225 HG23 VAL 30 2HG2 VAL 30 0.456 3.899 -3.268 226 H ASP 31 H ASP 31 0.047 -1.215 -1.583 227 HA ASP 31 HA ASP 31 2.471 -1.978 0.002 228 HB2 ASP 31 2HB ASP 31 0.435 -3.076 0.707 229 HB3 ASP 31 3HB ASP 31 0.069 -3.556 -0.939 230 H PHE 32 H PHE 32 4.241 -2.534 -1.042 231 HA PHE 32 HA PHE 32 4.229 -2.999 -3.979 232 HB2 PHE 32 2HB PHE 32 6.373 -2.110 -2.027 233 HB3 PHE 32 3HB PHE 32 6.725 -2.654 -3.655 234 HD1 PHE 32 HD2 PHE 32 4.569 -0.127 -1.831 235 HD2 PHE 32 HD1 PHE 32 6.695 -1.161 -5.438 236 HE1 PHE 32 HE2 PHE 32 3.986 2.075 -2.820 237 HE2 PHE 32 HE1 PHE 32 6.118 1.037 -6.402 238 HZ PHE 32 HZ PHE 32 4.770 2.668 -5.097 239 H TRP 33 H TRP 33 4.359 -5.025 -4.690 240 HA TRP 33 HA TRP 33 5.713 -7.123 -3.117 241 HB2 TRP 33 2HB TRP 33 3.879 -8.460 -2.723 242 HB3 TRP 33 3HB TRP 33 3.407 -6.874 -2.168 243 HD1 TRP 33 HD1 TRP 33 2.533 -6.091 -5.374 244 HE1 TRP 33 HE1 TRP 33 0.224 -6.887 -6.124 245 HE3 TRP 33 HE3 TRP 33 1.791 -9.736 -1.877 246 HZ2 TRP 33 HZ2 TRP 33 -1.890 -8.560 -5.005 247 HZ3 TRP 33 HZ3 TRP 33 -0.400 -10.899 -1.717 248 HH2 TRP 33 HH2 TRP 33 -2.253 -10.300 -3.260 249 H ALA 34 H ALA 34 5.479 -9.316 -4.106 250 HA ALA 34 HA ALA 34 5.430 -9.261 -7.085 251 HB1 ALA 34 3HB ALA 34 7.451 -10.732 -5.333 252 HB2 ALA 34 1HB ALA 34 7.410 -10.675 -7.110 253 HB3 ALA 34 2HB ALA 34 7.773 -9.210 -6.188 254 H THR 35 H THR 35 5.627 -11.786 -7.757 255 HA THR 35 HA THR 35 3.096 -12.964 -7.018 256 HB THR 35 HB THR 35 3.851 -14.773 -8.608 257 HG1 THR 35 HG1 THR 35 5.752 -14.343 -9.754 258 HG21 THR 35 3HG2 THR 35 4.137 -11.924 -9.670 259 HG22 THR 35 1HG2 THR 35 2.600 -12.780 -9.410 260 HG23 THR 35 2HG2 THR 35 3.754 -13.381 -10.614 261 H TRP 36 H TRP 36 6.349 -13.519 -5.903 262 HA TRP 36 HA TRP 36 5.755 -16.289 -5.021 263 HB2 TRP 36 2HB TRP 36 8.231 -16.486 -5.164 264 HB3 TRP 36 3HB TRP 36 7.467 -16.008 -6.669 265 HD1 TRP 36 HD1 TRP 36 8.131 -13.748 -7.733 266 HE1 TRP 36 HE1 TRP 36 9.830 -11.898 -7.201 267 HE3 TRP 36 HE3 TRP 36 9.577 -15.278 -3.054 268 HZ2 TRP 36 HZ2 TRP 36 11.480 -11.094 -4.980 269 HZ3 TRP 36 HZ3 TRP 36 11.196 -13.924 -1.741 270 HH2 TRP 36 HH2 TRP 36 12.142 -11.830 -2.684 271 H CYS 37 H CYS 37 6.204 -13.251 -3.473 272 HA CYS 37 HA CYS 37 8.012 -14.169 -1.442 273 HB2 CYS 37 2HB CYS 37 7.465 -11.788 -0.519 274 HB3 CYS 37 3HB CYS 37 8.443 -12.055 -1.948 275 H GLY 38 H GLY 38 7.666 -15.252 0.324 276 HA2 GLY 38 2HA GLY 38 5.285 -16.124 1.417 277 HA3 GLY 38 3HA GLY 38 6.782 -15.949 2.333 278 HA PRO 39 HA PRO 39 5.004 -12.718 4.733 279 HB2 PRO 39 2HB PRO 39 6.586 -10.475 4.697 280 HB3 PRO 39 3HB PRO 39 7.033 -12.009 5.501 281 HG2 PRO 39 2HG PRO 39 7.821 -11.062 2.733 282 HG3 PRO 39 3HG PRO 39 8.883 -11.711 4.022 283 HD2 PRO 39 2HD PRO 39 7.987 -13.282 2.016 284 HD3 PRO 39 3HD PRO 39 8.079 -13.923 3.682 285 H CYS 40 H CYS 40 5.532 -11.743 1.358 286 HA CYS 40 HA CYS 40 3.793 -9.409 1.568 287 HB2 CYS 40 2HB CYS 40 4.287 -8.953 -0.594 288 HB3 CYS 40 3HB CYS 40 5.745 -9.758 -0.046 289 H LYS 41 H LYS 41 3.369 -12.827 0.600 290 HA LYS 41 HA LYS 41 0.484 -12.462 0.125 291 HB2 LYS 41 2HB LYS 41 2.038 -15.028 0.634 292 HB3 LYS 41 3HB LYS 41 0.379 -14.889 0.062 293 HG2 LYS 41 2HG LYS 41 2.937 -14.332 -1.439 294 HG3 LYS 41 3HG LYS 41 1.594 -15.384 -1.863 295 HD2 LYS 41 2HD LYS 41 0.184 -13.276 -2.190 296 HD3 LYS 41 3HD LYS 41 1.686 -12.346 -1.968 297 HE2 LYS 41 2HE LYS 41 2.669 -13.779 -3.867 298 HE3 LYS 41 3HE LYS 41 1.015 -14.328 -4.162 299 HZ1 LYS 41 3HZ LYS 41 0.507 -11.800 -4.274 300 HZ2 LYS 41 1HZ LYS 41 1.263 -12.477 -5.553 301 HZ3 LYS 41 2HZ LYS 41 2.132 -11.611 -4.479 302 H MET 42 H MET 42 2.466 -13.310 2.942 303 HA MET 42 HA MET 42 0.376 -14.002 4.708 304 HB2 MET 42 2HB MET 42 2.851 -14.265 5.072 305 HB3 MET 42 3HB MET 42 2.929 -12.528 5.413 306 HG2 MET 42 2HG MET 42 1.391 -12.844 7.330 307 HG3 MET 42 3HG MET 42 1.294 -14.566 6.953 308 HE1 MET 42 3HE MET 42 4.976 -12.361 8.730 309 HE2 MET 42 1HE MET 42 4.452 -12.043 7.066 310 HE3 MET 42 2HE MET 42 3.386 -11.630 8.430 311 H VAL 43 H VAL 43 1.486 -10.678 3.825 312 HA VAL 43 HA VAL 43 -0.328 -9.445 5.776 313 HB VAL 43 HB VAL 43 0.225 -7.321 4.743 314 HG11 VAL 43 1HG1 VAL 43 2.515 -7.213 5.466 315 HG12 VAL 43 2HG1 VAL 43 1.592 -8.277 6.553 316 HG13 VAL 43 3HG1 VAL 43 2.694 -8.979 5.353 317 HG21 VAL 43 3HG2 VAL 43 0.622 -8.031 2.389 318 HG22 VAL 43 1HG2 VAL 43 1.950 -7.077 3.057 319 HG23 VAL 43 2HG2 VAL 43 2.115 -8.833 2.917 320 H ALA 44 H ALA 44 -0.837 -10.661 2.527 321 HA ALA 44 HA ALA 44 -2.585 -8.735 1.579 322 HB1 ALA 44 3HB ALA 44 -1.613 -10.535 0.237 323 HB2 ALA 44 1HB ALA 44 -2.694 -11.717 0.994 324 HB3 ALA 44 2HB ALA 44 -3.368 -10.415 -0.002 325 HA PRO 45 HA PRO 45 -6.420 -10.845 3.717 326 HB2 PRO 45 2HB PRO 45 -5.055 -11.755 6.244 327 HB3 PRO 45 3HB PRO 45 -6.472 -12.458 5.406 328 HG2 PRO 45 2HG PRO 45 -4.031 -13.611 5.217 329 HG3 PRO 45 3HG PRO 45 -5.085 -13.480 3.763 330 HD2 PRO 45 2HD PRO 45 -2.779 -11.706 4.591 331 HD3 PRO 45 3HD PRO 45 -3.129 -12.418 2.990 332 H VAL 46 H VAL 46 -3.710 -9.399 5.592 333 HA VAL 46 HA VAL 46 -5.349 -7.905 7.417 334 HB VAL 46 HB VAL 46 -2.483 -7.410 6.506 335 HG11 VAL 46 1HG1 VAL 46 -3.908 -6.302 8.897 336 HG12 VAL 46 2HG1 VAL 46 -2.176 -6.116 8.533 337 HG13 VAL 46 3HG1 VAL 46 -3.394 -5.381 7.488 338 HG21 VAL 46 3HG2 VAL 46 -1.847 -8.502 8.616 339 HG22 VAL 46 1HG2 VAL 46 -3.556 -8.847 8.967 340 HG23 VAL 46 2HG2 VAL 46 -2.745 -9.611 7.585 341 H LEU 47 H LEU 47 -3.975 -7.165 4.225 342 HA LEU 47 HA LEU 47 -4.784 -4.386 4.092 343 HB2 LEU 47 2HB LEU 47 -4.423 -6.270 1.724 344 HB3 LEU 47 3HB LEU 47 -4.252 -4.520 1.733 345 HG LEU 47 HG LEU 47 -2.555 -6.495 3.211 346 HD11 LEU 47 1HD1 LEU 47 -0.804 -6.050 1.529 347 HD12 LEU 47 2HD1 LEU 47 -1.893 -4.916 0.690 348 HD13 LEU 47 3HD1 LEU 47 -2.299 -6.649 0.773 349 HD21 LEU 47 3HD2 LEU 47 -2.451 -4.314 4.321 350 HD22 LEU 47 1HD2 LEU 47 -2.095 -3.510 2.775 351 HD23 LEU 47 2HD2 LEU 47 -0.918 -4.627 3.504 352 H GLU 48 H GLU 48 -6.194 -7.391 2.717 353 HA GLU 48 HA GLU 48 -8.591 -6.253 1.676 354 HB2 GLU 48 2HB GLU 48 -7.691 -8.575 1.302 355 HB3 GLU 48 3HB GLU 48 -8.175 -9.001 2.943 356 HG2 GLU 48 2HG GLU 48 -10.550 -8.497 2.350 357 HG3 GLU 48 3HG GLU 48 -10.033 -8.080 0.712 358 H GLU 49 H GLU 49 -7.669 -7.235 4.968 359 HA GLU 49 HA GLU 49 -10.463 -7.091 5.876 360 HB2 GLU 49 2HB GLU 49 -7.890 -7.679 7.335 361 HB3 GLU 49 3HB GLU 49 -9.374 -7.314 8.215 362 HG2 GLU 49 2HG GLU 49 -10.594 -9.101 7.092 363 HG3 GLU 49 3HG GLU 49 -9.200 -9.510 6.108 364 H ILE 50 H ILE 50 -7.606 -4.963 6.529 365 HA ILE 50 HA ILE 50 -9.209 -3.006 7.949 366 HB ILE 50 HB ILE 50 -6.570 -2.779 6.493 367 HG12 ILE 50 2HG1 ILE 50 -6.378 -4.290 8.398 368 HG13 ILE 50 3HG1 ILE 50 -5.560 -2.788 8.771 369 HG21 ILE 50 1HG2 ILE 50 -7.361 -0.543 6.606 370 HG22 ILE 50 2HG2 ILE 50 -7.948 -0.732 8.269 371 HG23 ILE 50 3HG2 ILE 50 -6.204 -0.705 7.919 372 HD11 ILE 50 3HD1 ILE 50 -7.613 -2.083 10.106 373 HD12 ILE 50 1HD1 ILE 50 -8.257 -3.720 9.840 374 HD13 ILE 50 2HD1 ILE 50 -6.749 -3.487 10.731 375 H ALA 51 H ALA 51 -8.446 -3.426 4.462 376 HA ALA 51 HA ALA 51 -9.731 -0.985 3.646 377 HB1 ALA 51 3HB ALA 51 -9.332 -3.573 2.099 378 HB2 ALA 51 1HB ALA 51 -9.634 -1.955 1.424 379 HB3 ALA 51 2HB ALA 51 -8.118 -2.284 2.264 380 H THR 52 H THR 52 -11.055 -4.263 4.366 381 HA THR 52 HA THR 52 -13.720 -3.546 3.369 382 HB THR 52 HB THR 52 -12.869 -5.729 5.336 383 HG1 THR 52 HG1 THR 52 -11.930 -6.109 3.410 384 HG21 THR 52 3HG2 THR 52 -15.436 -5.370 3.726 385 HG22 THR 52 1HG2 THR 52 -15.286 -5.389 5.498 386 HG23 THR 52 2HG2 THR 52 -14.972 -6.862 4.573 387 H GLU 53 H GLU 53 -12.076 -3.575 6.573 388 HA GLU 53 HA GLU 53 -14.539 -3.047 8.018 389 HB2 GLU 53 2HB GLU 53 -11.602 -3.105 8.791 390 HB3 GLU 53 3HB GLU 53 -12.886 -2.825 9.960 391 HG2 GLU 53 2HG GLU 53 -12.956 -5.291 8.175 392 HG3 GLU 53 3HG GLU 53 -11.959 -5.244 9.614 393 H ARG 54 H ARG 54 -11.899 -1.004 6.901 394 HA ARG 54 HA ARG 54 -13.189 1.442 8.068 395 HB2 ARG 54 2HB ARG 54 -10.239 0.892 7.642 396 HB3 ARG 54 3HB ARG 54 -10.942 2.333 8.374 397 HG2 ARG 54 2HG ARG 54 -10.977 -0.477 9.536 398 HG3 ARG 54 3HG ARG 54 -9.979 0.866 10.061 399 HD2 ARG 54 2HD ARG 54 -13.019 0.799 10.234 400 HD3 ARG 54 3HD ARG 54 -11.920 0.428 11.548 401 HE ARG 54 HE ARG 54 -12.273 3.127 10.250 402 HH11 ARG 54 1HH2 ARG 54 -11.213 1.367 13.111 403 HH12 ARG 54 2HH2 ARG 54 -11.006 2.849 14.005 404 HH21 ARG 54 1HH1 ARG 54 -12.050 4.830 11.373 405 HH22 ARG 54 2HH1 ARG 54 -11.472 4.817 13.043 406 H ALA 55 H ALA 55 -13.758 0.289 5.475 407 HA ALA 55 HA ALA 55 -12.606 1.551 3.283 408 HB1 ALA 55 3HB ALA 55 -14.339 -0.230 3.212 409 HB2 ALA 55 1HB ALA 55 -15.555 0.925 3.797 410 HB3 ALA 55 2HB ALA 55 -14.804 1.154 2.206 411 H THR 56 H THR 56 -14.849 3.035 5.609 412 HA THR 56 HA THR 56 -15.367 5.439 4.085 413 HB THR 56 HB THR 56 -15.569 5.071 7.096 414 HG1 THR 56 HG1 THR 56 -17.659 4.340 6.686 415 HG21 THR 56 3HG2 THR 56 -17.501 6.628 6.860 416 HG22 THR 56 1HG2 THR 56 -17.134 6.806 5.129 417 HG23 THR 56 2HG2 THR 56 -15.987 7.384 6.358 418 H ASP 57 H ASP 57 -12.795 4.463 6.297 419 HA ASP 57 HA ASP 57 -11.796 7.234 6.654 420 HB2 ASP 57 2HB ASP 57 -10.933 4.551 7.780 421 HB3 ASP 57 3HB ASP 57 -10.107 6.063 8.109 422 H LEU 58 H LEU 58 -10.812 4.164 5.066 423 HA LEU 58 HA LEU 58 -8.794 5.715 3.531 424 HB2 LEU 58 2HB LEU 58 -7.015 4.181 3.935 425 HB3 LEU 58 3HB LEU 58 -7.543 4.967 5.387 426 HG LEU 58 HG LEU 58 -6.789 2.531 5.455 427 HD11 LEU 58 1HD1 LEU 58 -7.842 3.732 7.344 428 HD12 LEU 58 2HD1 LEU 58 -8.198 2.002 7.322 429 HD13 LEU 58 3HD1 LEU 58 -9.424 3.169 6.779 430 HD21 LEU 58 3HD2 LEU 58 -8.406 0.775 5.163 431 HD22 LEU 58 1HD2 LEU 58 -8.196 1.630 3.632 432 HD23 LEU 58 2HD2 LEU 58 -9.640 1.916 4.639 433 H THR 59 H THR 59 -7.716 4.554 1.842 434 HA THR 59 HA THR 59 -9.222 2.281 0.621 435 HB THR 59 HB THR 59 -8.000 4.599 -0.925 436 HG1 THR 59 HG1 THR 59 -10.181 4.983 -1.486 437 HG21 THR 59 3HG2 THR 59 -7.926 2.485 -2.209 438 HG22 THR 59 1HG2 THR 59 -9.145 3.572 -2.874 439 HG23 THR 59 2HG2 THR 59 -9.648 2.204 -1.858 440 H VAL 60 H VAL 60 -7.854 0.660 -0.245 441 HA VAL 60 HA VAL 60 -4.922 1.047 0.275 442 HB VAL 60 HB VAL 60 -6.481 -1.503 0.673 443 HG11 VAL 60 1HG1 VAL 60 -3.542 -0.837 1.037 444 HG12 VAL 60 2HG1 VAL 60 -4.327 -2.254 1.758 445 HG13 VAL 60 3HG1 VAL 60 -4.261 -2.084 0.003 446 HG21 VAL 60 3HG2 VAL 60 -5.388 0.447 2.721 447 HG22 VAL 60 1HG2 VAL 60 -7.070 -0.033 2.461 448 HG23 VAL 60 2HG2 VAL 60 -5.919 -1.209 3.086 449 H ALA 61 H ALA 61 -3.507 0.472 -1.250 450 HA ALA 61 HA ALA 61 -4.550 -0.637 -3.806 451 HB1 ALA 61 3HB ALA 61 -4.220 1.803 -3.892 452 HB2 ALA 61 1HB ALA 61 -2.537 1.592 -3.380 453 HB3 ALA 61 2HB ALA 61 -3.072 0.956 -4.949 454 H LYS 62 H LYS 62 -3.223 -1.880 -5.047 455 HA LYS 62 HA LYS 62 -0.661 -2.919 -3.870 456 HB2 LYS 62 2HB LYS 62 -2.571 -4.028 -5.980 457 HB3 LYS 62 3HB LYS 62 -1.003 -4.733 -5.618 458 HG2 LYS 62 2HG LYS 62 -3.315 -4.494 -3.637 459 HG3 LYS 62 3HG LYS 62 -2.848 -5.938 -4.546 460 HD2 LYS 62 2HD LYS 62 -0.525 -5.703 -3.466 461 HD3 LYS 62 3HD LYS 62 -1.263 -4.527 -2.373 462 HE2 LYS 62 2HE LYS 62 -2.693 -6.117 -1.391 463 HE3 LYS 62 3HE LYS 62 -2.532 -7.248 -2.742 464 HZ1 LYS 62 3HZ LYS 62 -0.311 -7.751 -2.095 465 HZ2 LYS 62 1HZ LYS 62 -1.203 -7.902 -0.749 466 HZ3 LYS 62 2HZ LYS 62 -0.235 -6.582 -0.968 467 H LEU 63 H LEU 63 1.209 -2.490 -4.804 468 HA LEU 63 HA LEU 63 1.185 -1.952 -7.739 469 HB2 LEU 63 2HB LEU 63 2.001 0.036 -6.521 470 HB3 LEU 63 3HB LEU 63 3.274 -0.921 -5.791 471 HG LEU 63 HG LEU 63 3.976 0.515 -7.680 472 HD11 LEU 63 1HD1 LEU 63 5.542 -0.907 -8.614 473 HD12 LEU 63 2HD1 LEU 63 4.460 -2.293 -8.635 474 HD13 LEU 63 3HD1 LEU 63 5.139 -1.731 -7.099 475 HD21 LEU 63 3HD2 LEU 63 3.493 -0.120 -10.019 476 HD22 LEU 63 1HD2 LEU 63 2.029 0.366 -9.149 477 HD23 LEU 63 2HD2 LEU 63 2.370 -1.348 -9.473 478 H ASP 64 H ASP 64 2.010 -3.530 -8.872 479 HA ASP 64 HA ASP 64 3.369 -5.776 -7.445 480 HB2 ASP 64 2HB ASP 64 1.283 -6.357 -8.604 481 HB3 ASP 64 3HB ASP 64 2.011 -5.882 -10.136 482 H VAL 65 H VAL 65 5.459 -5.774 -7.549 483 HA VAL 65 HA VAL 65 6.833 -3.792 -9.085 484 HB VAL 65 HB VAL 65 8.825 -4.460 -7.994 485 HG11 VAL 65 1HG1 VAL 65 8.233 -4.242 -5.687 486 HG12 VAL 65 2HG1 VAL 65 7.094 -3.280 -6.646 487 HG13 VAL 65 3HG1 VAL 65 6.592 -4.843 -5.979 488 HG21 VAL 65 3HG2 VAL 65 7.407 -7.006 -7.123 489 HG22 VAL 65 1HG2 VAL 65 8.793 -6.889 -8.223 490 HG23 VAL 65 2HG2 VAL 65 8.983 -6.450 -6.521 491 H ASP 66 H ASP 66 5.987 -6.990 -10.001 492 HA ASP 66 HA ASP 66 8.050 -7.183 -12.111 493 HB2 ASP 66 2HB ASP 66 7.157 -9.198 -10.933 494 HB3 ASP 66 3HB ASP 66 5.570 -8.870 -11.634 495 H THR 67 H THR 67 4.828 -5.836 -11.701 496 HA THR 67 HA THR 67 4.392 -5.588 -14.626 497 HB THR 67 HB THR 67 2.285 -4.617 -14.181 498 HG1 THR 67 HG1 THR 67 3.179 -4.438 -11.518 499 HG21 THR 67 3HG2 THR 67 1.137 -6.386 -12.974 500 HG22 THR 67 1HG2 THR 67 2.664 -6.942 -12.257 501 HG23 THR 67 2HG2 THR 67 2.403 -7.071 -14.008 502 H ASN 68 H ASN 68 5.358 -3.526 -11.913 503 HA ASN 68 HA ASN 68 6.758 -1.868 -13.885 504 HB2 ASN 68 2HB ASN 68 4.649 -0.722 -12.046 505 HB3 ASN 68 3HB ASN 68 6.071 0.227 -12.460 506 HD21 ASN 68 1HD2 ASN 68 6.620 0.099 -14.999 507 HD22 ASN 68 2HD2 ASN 68 5.191 0.476 -15.964 508 HA PRO 69 HA PRO 69 9.559 -2.177 -10.288 509 HB2 PRO 69 2HB PRO 69 11.898 -2.061 -11.704 510 HB3 PRO 69 3HB PRO 69 10.992 -3.573 -11.410 511 HG2 PRO 69 2HG PRO 69 10.925 -1.818 -13.878 512 HG3 PRO 69 3HG PRO 69 11.106 -3.596 -13.789 513 HD2 PRO 69 2HD PRO 69 8.712 -2.408 -14.283 514 HD3 PRO 69 3HD PRO 69 8.820 -3.899 -13.310 515 H GLU 70 H GLU 70 8.797 0.086 -12.802 516 HA GLU 70 HA GLU 70 10.526 2.267 -12.284 517 HB2 GLU 70 2HB GLU 70 7.629 2.158 -13.205 518 HB3 GLU 70 3HB GLU 70 8.561 3.650 -13.118 519 HG2 GLU 70 2HG GLU 70 8.462 2.756 -15.395 520 HG3 GLU 70 3HG GLU 70 10.104 2.910 -14.779 521 H THR 71 H THR 71 7.252 1.705 -10.827 522 HA THR 71 HA THR 71 7.557 3.874 -8.947 523 HB THR 71 HB THR 71 5.544 2.599 -7.879 524 HG1 THR 71 HG1 THR 71 4.403 1.644 -9.678 525 HG21 THR 71 3HG2 THR 71 5.392 4.813 -8.848 526 HG22 THR 71 1HG2 THR 71 4.066 3.821 -9.471 527 HG23 THR 71 2HG2 THR 71 5.492 4.145 -10.489 528 H ALA 72 H ALA 72 8.309 0.413 -8.826 529 HA ALA 72 HA ALA 72 8.781 0.280 -6.008 530 HB1 ALA 72 3HB ALA 72 9.990 -1.754 -6.509 531 HB2 ALA 72 1HB ALA 72 8.568 -1.672 -7.569 532 HB3 ALA 72 2HB ALA 72 10.182 -1.292 -8.209 533 H ARG 73 H ARG 73 11.047 1.149 -8.707 534 HA ARG 73 HA ARG 73 13.110 1.910 -6.768 535 HB2 ARG 73 2HB ARG 73 14.515 2.477 -8.550 536 HB3 ARG 73 3HB ARG 73 13.718 0.955 -8.912 537 HG2 ARG 73 2HG ARG 73 12.166 2.204 -10.464 538 HG3 ARG 73 3HG ARG 73 13.102 3.674 -10.156 539 HD2 ARG 73 2HD ARG 73 15.132 2.606 -11.017 540 HD3 ARG 73 3HD ARG 73 14.305 1.064 -11.202 541 HE ARG 73 HE ARG 73 14.133 3.416 -12.963 542 HH11 ARG 73 1HH1 ARG 73 12.616 0.310 -12.249 543 HH12 ARG 73 2HH1 ARG 73 11.857 0.289 -13.850 544 HH21 ARG 73 1HH2 ARG 73 13.137 3.152 -14.991 545 HH22 ARG 73 2HH2 ARG 73 12.118 1.734 -15.225 546 H ASN 74 H ASN 74 10.499 3.699 -8.305 547 HA ASN 74 HA ASN 74 11.362 6.325 -7.706 548 HB2 ASN 74 2HB ASN 74 9.237 5.595 -8.982 549 HB3 ASN 74 3HB ASN 74 8.497 5.319 -7.412 550 HD21 ASN 74 1HD2 ASN 74 7.703 7.114 -6.235 551 HD22 ASN 74 2HD2 ASN 74 7.898 8.751 -6.830 552 H PHE 75 H PHE 75 9.613 4.012 -5.610 553 HA PHE 75 HA PHE 75 10.052 5.741 -3.242 554 HB2 PHE 75 2HB PHE 75 8.258 3.334 -3.614 555 HB3 PHE 75 3HB PHE 75 8.378 4.315 -2.153 556 HD1 PHE 75 HD1 PHE 75 7.970 6.895 -2.398 557 HD2 PHE 75 HD2 PHE 75 6.701 3.982 -5.306 558 HE1 PHE 75 HE1 PHE 75 6.387 8.546 -3.363 559 HE2 PHE 75 HE2 PHE 75 5.115 5.632 -6.269 560 HZ PHE 75 HZ PHE 75 4.957 7.917 -5.300 561 H GLN 76 H GLN 76 12.094 3.941 -4.630 562 HA GLN 76 HA GLN 76 13.859 2.654 -4.134 563 HB2 GLN 76 2HB GLN 76 14.149 4.939 -3.048 564 HB3 GLN 76 3HB GLN 76 13.866 4.143 -1.496 565 HG2 GLN 76 2HG GLN 76 15.833 2.636 -1.976 566 HG3 GLN 76 3HG GLN 76 16.059 3.457 -3.519 567 HE21 GLN 76 1HE2 GLN 76 18.294 3.551 -2.219 568 HE22 GLN 76 2HE2 GLN 76 18.517 5.058 -1.339 569 H VAL 77 H VAL 77 11.801 0.999 -3.853 570 HA VAL 77 HA VAL 77 11.489 -0.290 -1.309 571 HB VAL 77 HB VAL 77 10.953 -1.241 -4.149 572 HG11 VAL 77 1HG1 VAL 77 11.174 -3.249 -2.768 573 HG12 VAL 77 2HG1 VAL 77 10.138 -2.536 -1.516 574 HG13 VAL 77 3HG1 VAL 77 9.468 -2.955 -3.107 575 HG21 VAL 77 3HG2 VAL 77 8.612 -0.772 -3.568 576 HG22 VAL 77 1HG2 VAL 77 9.091 -0.240 -1.943 577 HG23 VAL 77 2HG2 VAL 77 9.577 0.691 -3.373 578 H VAL 78 H VAL 78 12.857 -1.458 -0.238 579 HA VAL 78 HA VAL 78 15.215 -2.703 -1.585 580 HB VAL 78 HB VAL 78 15.669 -0.755 -0.186 581 HG11 VAL 78 1HG1 VAL 78 13.904 -0.981 1.535 582 HG12 VAL 78 2HG1 VAL 78 14.729 -2.415 2.192 583 HG13 VAL 78 3HG1 VAL 78 15.511 -0.827 2.248 584 HG21 VAL 78 3HG2 VAL 78 16.824 -3.282 1.044 585 HG22 VAL 78 1HG2 VAL 78 17.376 -2.524 -0.467 586 HG23 VAL 78 2HG2 VAL 78 17.524 -1.652 1.068 587 H SER 79 H SER 79 12.598 -3.342 0.636 588 HA SER 79 HA SER 79 13.269 -6.249 0.654 589 HB2 SER 79 2HB SER 79 12.054 -4.622 2.915 590 HB3 SER 79 3HB SER 79 12.190 -6.390 2.883 591 HG SER 79 HG SER 79 13.922 -5.407 4.031 592 H ILE 80 H ILE 80 11.384 -7.640 0.679 593 HA ILE 80 HA ILE 80 8.885 -6.299 -0.246 594 HB ILE 80 HB ILE 80 9.816 -8.979 -1.288 595 HG12 ILE 80 2HG1 ILE 80 10.079 -6.217 -2.579 596 HG13 ILE 80 3HG1 ILE 80 11.409 -7.265 -2.080 597 HG21 ILE 80 1HG2 ILE 80 7.690 -6.988 -2.203 598 HG22 ILE 80 2HG2 ILE 80 7.987 -8.596 -2.899 599 HG23 ILE 80 3HG2 ILE 80 7.349 -8.460 -1.264 600 HD11 ILE 80 3HD1 ILE 80 10.645 -8.980 -3.748 601 HD12 ILE 80 1HD1 ILE 80 9.485 -7.778 -4.369 602 HD13 ILE 80 2HD1 ILE 80 11.219 -7.450 -4.441 603 HA PRO 81 HA PRO 81 6.699 -6.346 0.045 604 HB2 PRO 81 2HB PRO 81 4.897 -5.632 1.934 605 HB3 PRO 81 3HB PRO 81 4.781 -7.181 1.047 606 HG2 PRO 81 2HG PRO 81 5.979 -6.679 3.794 607 HG3 PRO 81 3HG PRO 81 4.793 -7.939 3.327 608 HD2 PRO 81 2HD PRO 81 7.486 -8.431 3.464 609 HD3 PRO 81 3HD PRO 81 6.450 -9.218 2.244 610 H THR 82 H THR 82 6.503 -4.079 0.156 611 HA THR 82 HA THR 82 7.510 -2.659 2.567 612 HB THR 82 HB THR 82 8.232 -1.932 -0.287 613 HG1 THR 82 HG1 THR 82 9.742 -3.189 0.792 614 HG21 THR 82 3HG2 THR 82 7.497 0.168 0.721 615 HG22 THR 82 1HG2 THR 82 9.262 0.131 0.692 616 HG23 THR 82 2HG2 THR 82 8.399 -0.192 2.213 617 H LEU 83 H LEU 83 6.044 -1.292 3.336 618 HA LEU 83 HA LEU 83 3.658 -0.619 1.674 619 HB2 LEU 83 2HB LEU 83 3.889 -0.960 4.690 620 HB3 LEU 83 3HB LEU 83 2.498 -0.312 3.833 621 HG LEU 83 HG LEU 83 2.505 -2.564 2.501 622 HD11 LEU 83 1HD1 LEU 83 3.226 -4.509 3.876 623 HD12 LEU 83 2HD1 LEU 83 3.997 -3.405 5.035 624 HD13 LEU 83 3HD1 LEU 83 4.610 -3.550 3.377 625 HD21 LEU 83 3HD2 LEU 83 1.091 -3.588 4.264 626 HD22 LEU 83 1HD2 LEU 83 0.744 -1.869 4.050 627 HD23 LEU 83 2HD2 LEU 83 1.720 -2.409 5.437 628 H ILE 84 H ILE 84 2.951 1.466 1.579 629 HA ILE 84 HA ILE 84 4.363 3.579 3.100 630 HB ILE 84 HB ILE 84 5.682 3.551 1.154 631 HG12 ILE 84 2HG1 ILE 84 5.211 5.659 -0.042 632 HG13 ILE 84 3HG1 ILE 84 3.620 5.746 0.708 633 HG21 ILE 84 1HG2 ILE 84 4.805 3.678 -1.159 634 HG22 ILE 84 2HG2 ILE 84 4.382 2.170 -0.349 635 HG23 ILE 84 3HG2 ILE 84 3.164 3.449 -0.517 636 HD11 ILE 84 3HD1 ILE 84 4.592 6.107 2.880 637 HD12 ILE 84 1HD1 ILE 84 6.225 5.740 2.268 638 HD13 ILE 84 2HD1 ILE 84 5.370 7.200 1.744 639 H LEU 85 H LEU 85 3.022 4.929 3.951 640 HA LEU 85 HA LEU 85 0.180 5.042 3.067 641 HB2 LEU 85 2HB LEU 85 0.627 4.570 5.413 642 HB3 LEU 85 3HB LEU 85 1.632 6.012 5.553 643 HG LEU 85 HG LEU 85 -0.335 7.462 5.210 644 HD11 LEU 85 1HD1 LEU 85 -1.927 4.860 5.119 645 HD12 LEU 85 2HD1 LEU 85 -1.769 6.043 3.806 646 HD13 LEU 85 3HD1 LEU 85 -2.614 6.495 5.277 647 HD21 LEU 85 3HD2 LEU 85 0.288 6.780 7.480 648 HD22 LEU 85 1HD2 LEU 85 -0.698 5.310 7.335 649 HD23 LEU 85 2HD2 LEU 85 -1.473 6.903 7.344 650 H PHE 86 H PHE 86 -0.657 6.742 2.015 651 HA PHE 86 HA PHE 86 0.828 9.330 1.899 652 HB2 PHE 86 2HB PHE 86 -1.008 8.085 -0.175 653 HB3 PHE 86 3HB PHE 86 -0.320 9.694 -0.268 654 HD1 PHE 86 HD1 PHE 86 0.436 6.075 -0.430 655 HD2 PHE 86 HD2 PHE 86 1.967 10.068 -0.983 656 HE1 PHE 86 HE1 PHE 86 2.358 5.169 -1.710 657 HE2 PHE 86 HE2 PHE 86 3.915 9.150 -2.219 658 HZ PHE 86 HZ PHE 86 4.111 6.693 -2.581 659 H LYS 87 H LYS 87 -0.351 11.229 2.123 660 HA LYS 87 HA LYS 87 -3.297 11.149 2.072 661 HB2 LYS 87 2HB LYS 87 -2.494 10.897 4.522 662 HB3 LYS 87 3HB LYS 87 -1.934 12.566 4.385 663 HG2 LYS 87 2HG LYS 87 -4.492 12.833 3.422 664 HG3 LYS 87 3HG LYS 87 -4.722 11.433 4.468 665 HD2 LYS 87 2HD LYS 87 -3.710 12.761 6.363 666 HD3 LYS 87 3HD LYS 87 -3.565 14.141 5.266 667 HE2 LYS 87 2HE LYS 87 -6.156 12.781 6.123 668 HE3 LYS 87 3HE LYS 87 -5.527 14.307 6.738 669 HZ1 LYS 87 3HZ LYS 87 -6.513 13.789 3.979 670 HZ2 LYS 87 1HZ LYS 87 -5.606 15.089 4.304 671 HZ3 LYS 87 2HZ LYS 87 -7.066 14.896 5.047 672 H ASP 88 H ASP 88 -4.125 12.954 1.089 673 HA ASP 88 HA ASP 88 -4.123 14.728 -0.322 674 HB2 ASP 88 2HB ASP 88 -2.324 15.919 1.803 675 HB3 ASP 88 3HB ASP 88 -2.934 16.819 0.418 676 H GLY 89 H GLY 89 -2.430 12.565 -0.909 677 HA2 GLY 89 2HA GLY 89 -0.941 11.843 -2.443 678 HA3 GLY 89 3HA GLY 89 -0.801 13.478 -3.101 679 H GLN 90 H GLN 90 -0.065 13.473 0.242 680 HA GLN 90 HA GLN 90 2.802 13.666 -0.371 681 HB2 GLN 90 2HB GLN 90 1.471 14.343 2.263 682 HB3 GLN 90 3HB GLN 90 3.049 14.853 1.671 683 HG2 GLN 90 2HG GLN 90 0.315 15.770 0.701 684 HG3 GLN 90 3HG GLN 90 1.502 16.715 1.565 685 HE21 GLN 90 1HE2 GLN 90 0.223 16.298 -1.469 686 HE22 GLN 90 2HE2 GLN 90 1.615 16.842 -2.411 687 HA PRO 91 HA PRO 91 3.312 9.603 1.568 688 HB2 PRO 91 2HB PRO 91 6.044 9.492 1.766 689 HB3 PRO 91 3HB PRO 91 5.159 9.294 0.222 690 HG2 PRO 91 2HG PRO 91 6.486 11.794 1.311 691 HG3 PRO 91 3HG PRO 91 6.607 11.102 -0.338 692 HD2 PRO 91 2HD PRO 91 4.896 13.142 0.272 693 HD3 PRO 91 3HD PRO 91 4.459 11.878 -0.920 694 H VAL 92 H VAL 92 3.112 9.060 3.649 695 HA VAL 92 HA VAL 92 3.818 11.058 5.749 696 HB VAL 92 HB VAL 92 1.899 8.727 6.086 697 HG11 VAL 92 1HG1 VAL 92 2.639 9.895 8.133 698 HG12 VAL 92 2HG1 VAL 92 2.129 11.447 7.434 699 HG13 VAL 92 3HG1 VAL 92 0.933 10.186 7.803 700 HG21 VAL 92 3HG2 VAL 92 0.068 10.407 5.596 701 HG22 VAL 92 1HG2 VAL 92 1.306 11.514 4.976 702 HG23 VAL 92 2HG2 VAL 92 1.007 9.961 4.175 703 H LYS 93 H LYS 93 3.928 7.532 5.164 704 HA LYS 93 HA LYS 93 6.269 7.192 6.923 705 HB2 LYS 93 2HB LYS 93 4.272 7.268 8.446 706 HB3 LYS 93 3HB LYS 93 3.580 5.892 7.582 707 HG2 LYS 93 2HG LYS 93 5.563 4.515 8.239 708 HG3 LYS 93 3HG LYS 93 6.227 5.900 9.114 709 HD2 LYS 93 2HD LYS 93 3.547 4.565 9.697 710 HD3 LYS 93 3HD LYS 93 5.060 4.243 10.569 711 HE2 LYS 93 2HE LYS 93 5.101 6.783 11.085 712 HE3 LYS 93 3HE LYS 93 3.436 6.815 10.488 713 HZ1 LYS 93 3HZ LYS 93 3.253 6.490 12.778 714 HZ2 LYS 93 1HZ LYS 93 4.472 5.389 12.853 715 HZ3 LYS 93 2HZ LYS 93 3.054 4.948 12.187 716 H ARG 94 H ARG 94 7.501 5.578 6.187 717 HA ARG 94 HA ARG 94 6.353 3.491 4.372 718 HB2 ARG 94 2HB ARG 94 8.069 5.130 3.387 719 HB3 ARG 94 3HB ARG 94 9.256 4.387 4.455 720 HG2 ARG 94 2HG ARG 94 8.738 2.146 3.382 721 HG3 ARG 94 3HG ARG 94 7.588 2.967 2.325 722 HD2 ARG 94 2HD ARG 94 9.538 2.693 1.052 723 HD3 ARG 94 3HD ARG 94 9.522 4.405 1.495 724 HE ARG 94 HE ARG 94 11.048 3.420 3.491 725 HH11 ARG 94 2HH2 ARG 94 11.361 2.919 0.027 726 HH12 ARG 94 1HH2 ARG 94 12.953 2.247 0.178 727 HH21 ARG 94 1HH1 ARG 94 13.184 2.769 3.576 728 HH22 ARG 94 2HH1 ARG 94 14.005 2.329 2.108 729 H ILE 95 H ILE 95 6.595 1.417 4.889 730 HA ILE 95 HA ILE 95 8.469 0.630 7.088 731 HB ILE 95 HB ILE 95 5.697 -0.581 6.764 732 HG12 ILE 95 2HG1 ILE 95 5.499 0.594 9.180 733 HG13 ILE 95 3HG1 ILE 95 6.591 1.757 8.470 734 HG21 ILE 95 1HG2 ILE 95 6.252 -1.593 8.961 735 HG22 ILE 95 2HG2 ILE 95 7.430 -2.052 7.746 736 HG23 ILE 95 3HG2 ILE 95 7.835 -0.794 8.939 737 HD11 ILE 95 3HD1 ILE 95 3.867 0.926 7.339 738 HD12 ILE 95 1HD1 ILE 95 4.199 2.400 8.262 739 HD13 ILE 95 2HD1 ILE 95 4.906 2.191 6.655 740 H VAL 96 H VAL 96 9.871 -0.850 6.434 741 HA VAL 96 HA VAL 96 9.488 -2.144 3.802 742 HB VAL 96 HB VAL 96 11.923 -2.477 3.818 743 HG11 VAL 96 1HG1 VAL 96 12.510 -0.137 3.471 744 HG12 VAL 96 2HG1 VAL 96 10.918 -0.490 2.785 745 HG13 VAL 96 3HG1 VAL 96 11.046 0.395 4.321 746 HG21 VAL 96 3HG2 VAL 96 12.316 -2.509 6.301 747 HG22 VAL 96 1HG2 VAL 96 13.346 -1.361 5.440 748 HG23 VAL 96 2HG2 VAL 96 11.948 -0.772 6.355 749 H GLY 97 H GLY 97 7.916 -3.359 5.653 750 HA2 GLY 97 2HA GLY 97 8.742 -6.107 5.496 751 HA3 GLY 97 3HA GLY 97 8.929 -5.513 7.147 752 H ALA 98 H ALA 98 7.342 -7.466 7.169 753 HA ALA 98 HA ALA 98 4.660 -7.151 6.283 754 HB1 ALA 98 3HB ALA 98 5.738 -9.322 6.637 755 HB2 ALA 98 1HB ALA 98 5.829 -9.012 8.387 756 HB3 ALA 98 2HB ALA 98 4.251 -9.197 7.592 757 H LYS 99 H LYS 99 2.714 -7.102 7.573 758 HA LYS 99 HA LYS 99 2.811 -5.614 10.157 759 HB2 LYS 99 2HB LYS 99 1.821 -4.613 7.591 760 HB3 LYS 99 3HB LYS 99 0.465 -4.839 8.669 761 HG2 LYS 99 2HG LYS 99 1.086 -2.664 9.108 762 HG3 LYS 99 3HG LYS 99 1.819 -3.536 10.446 763 HD2 LYS 99 2HD LYS 99 4.031 -3.422 9.325 764 HD3 LYS 99 3HD LYS 99 3.270 -2.760 7.871 765 HE2 LYS 99 2HE LYS 99 4.139 -0.867 8.912 766 HE3 LYS 99 3HE LYS 99 2.423 -0.823 9.297 767 HZ1 LYS 99 3HZ LYS 99 3.680 -0.344 11.271 768 HZ2 LYS 99 1HZ LYS 99 4.610 -1.692 11.124 769 HZ3 LYS 99 2HZ LYS 99 3.020 -1.817 11.491 770 H GLY 100 H GLY 100 0.890 -5.731 11.420 771 HA2 GLY 100 2HA GLY 100 -1.085 -7.885 10.777 772 HA3 GLY 100 3HA GLY 100 -0.640 -7.455 12.431 773 H LYS 101 H LYS 101 -3.294 -7.308 11.541 774 HA LYS 101 HA LYS 101 -4.270 -4.898 10.456 775 HB2 LYS 101 2HB LYS 101 -5.418 -6.780 12.561 776 HB3 LYS 101 3HB LYS 101 -6.336 -5.432 11.881 777 HG2 LYS 101 2HG LYS 101 -6.039 -6.371 9.606 778 HG3 LYS 101 3HG LYS 101 -5.226 -7.782 10.305 779 HD2 LYS 101 2HD LYS 101 -8.083 -6.893 10.888 780 HD3 LYS 101 3HD LYS 101 -7.592 -8.163 9.759 781 HE2 LYS 101 2HE LYS 101 -6.568 -9.443 11.618 782 HE3 LYS 101 3HE LYS 101 -7.118 -8.215 12.768 783 HZ1 LYS 101 3HZ LYS 101 -9.394 -8.737 12.200 784 HZ2 LYS 101 1HZ LYS 101 -8.655 -10.153 12.546 785 HZ3 LYS 101 2HZ LYS 101 -8.954 -9.735 10.984 786 H ALA 102 H ALA 102 -3.397 -5.492 13.805 787 HA ALA 102 HA ALA 102 -4.500 -3.025 14.829 788 HB1 ALA 102 3HB ALA 102 -3.225 -3.586 16.865 789 HB2 ALA 102 1HB ALA 102 -4.094 -5.000 16.241 790 HB3 ALA 102 2HB ALA 102 -2.340 -4.849 15.982 791 H ALA 103 H ALA 103 -1.172 -3.925 13.829 792 HA ALA 103 HA ALA 103 -0.048 -1.335 14.444 793 HB1 ALA 103 3HB ALA 103 1.953 -2.247 13.378 794 HB2 ALA 103 1HB ALA 103 1.239 -3.439 14.474 795 HB3 ALA 103 2HB ALA 103 1.011 -3.613 12.720 796 H LEU 104 H LEU 104 -1.245 -2.832 11.401 797 HA LEU 104 HA LEU 104 -0.585 -0.652 9.638 798 HB2 LEU 104 2HB LEU 104 -1.302 -3.091 9.130 799 HB3 LEU 104 3HB LEU 104 -2.946 -2.533 9.406 800 HG LEU 104 HG LEU 104 -2.588 -0.800 7.586 801 HD11 LEU 104 1HD1 LEU 104 -0.675 -1.167 6.039 802 HD12 LEU 104 2HD1 LEU 104 -0.025 -2.401 7.115 803 HD13 LEU 104 3HD1 LEU 104 -0.094 -0.689 7.614 804 HD21 LEU 104 3HD2 LEU 104 -3.677 -3.015 7.191 805 HD22 LEU 104 1HD2 LEU 104 -2.084 -3.679 6.740 806 HD23 LEU 104 2HD2 LEU 104 -2.838 -2.403 5.770 807 H LEU 105 H LEU 105 -3.596 -1.338 11.515 808 HA LEU 105 HA LEU 105 -4.876 1.092 10.724 809 HB2 LEU 105 2HB LEU 105 -6.032 -0.930 11.553 810 HB3 LEU 105 3HB LEU 105 -5.374 -0.614 13.160 811 HG LEU 105 HG LEU 105 -6.657 1.458 13.344 812 HD11 LEU 105 1HD1 LEU 105 -6.737 2.264 11.046 813 HD12 LEU 105 2HD1 LEU 105 -8.386 2.013 11.608 814 HD13 LEU 105 3HD1 LEU 105 -7.631 0.817 10.524 815 HD21 LEU 105 3HD2 LEU 105 -7.710 -0.696 13.972 816 HD22 LEU 105 1HD2 LEU 105 -8.391 -0.836 12.335 817 HD23 LEU 105 2HD2 LEU 105 -8.896 0.490 13.410 818 H ARG 106 H ARG 106 -2.621 0.388 13.427 819 HA ARG 106 HA ARG 106 -2.799 2.969 14.668 820 HB2 ARG 106 2HB ARG 106 -1.645 0.969 15.602 821 HB3 ARG 106 3HB ARG 106 -0.333 1.186 14.460 822 HG2 ARG 106 2HG ARG 106 -1.182 3.274 16.507 823 HG3 ARG 106 3HG ARG 106 0.010 2.028 16.821 824 HD2 ARG 106 2HD ARG 106 0.276 4.315 14.835 825 HD3 ARG 106 3HD ARG 106 1.129 4.121 16.344 826 HE ARG 106 HE ARG 106 1.829 2.960 13.784 827 HH11 ARG 106 1HH1 ARG 106 2.263 2.429 17.231 828 HH12 ARG 106 2HH1 ARG 106 3.666 1.430 16.969 829 HH21 ARG 106 1HH2 ARG 106 3.499 1.603 13.526 830 HH22 ARG 106 2HH2 ARG 106 4.376 1.011 14.924 831 H GLU 107 H GLU 107 -0.676 1.889 11.927 832 HA GLU 107 HA GLU 107 0.450 4.497 11.510 833 HB2 GLU 107 2HB GLU 107 -0.159 2.684 9.171 834 HB3 GLU 107 3HB GLU 107 1.145 3.830 9.368 835 HG2 GLU 107 2HG GLU 107 0.888 1.076 10.464 836 HG3 GLU 107 3HG GLU 107 2.086 1.688 9.383 837 H LEU 108 H LEU 108 -2.540 3.074 10.197 838 HA LEU 108 HA LEU 108 -3.275 5.390 8.691 839 HB2 LEU 108 2HB LEU 108 -4.460 2.782 9.497 840 HB3 LEU 108 3HB LEU 108 -5.657 4.013 9.292 841 HG LEU 108 HG LEU 108 -5.390 2.739 7.268 842 HD11 LEU 108 1HD1 LEU 108 -5.855 5.188 7.035 843 HD12 LEU 108 2HD1 LEU 108 -5.040 4.479 5.621 844 HD13 LEU 108 3HD1 LEU 108 -4.128 5.468 6.764 845 HD21 LEU 108 3HD2 LEU 108 -3.347 2.702 5.930 846 HD22 LEU 108 1HD2 LEU 108 -3.083 1.970 7.519 847 HD23 LEU 108 2HD2 LEU 108 -2.478 3.606 7.188 848 H SER 109 H SER 109 -3.854 4.625 12.077 849 HA SER 109 HA SER 109 -5.603 6.913 12.570 850 HB2 SER 109 2HB SER 109 -3.934 5.259 14.505 851 HB3 SER 109 3HB SER 109 -5.211 6.409 14.936 852 HG SER 109 HG SER 109 -5.471 3.994 13.450 853 H ASP 110 H ASP 110 -2.139 6.390 12.462 854 HA ASP 110 HA ASP 110 -1.432 8.904 13.765 855 HB2 ASP 110 2HB ASP 110 -0.211 6.691 13.955 856 HB3 ASP 110 3HB ASP 110 0.325 6.916 12.287 857 H VAL 111 H VAL 111 -2.889 8.734 10.940 858 HA VAL 111 HA VAL 111 -0.946 9.706 9.085 859 HB VAL 111 HB VAL 111 -2.882 8.318 8.544 860 HG11 VAL 111 1HG1 VAL 111 -5.072 9.235 8.137 861 HG12 VAL 111 2HG1 VAL 111 -4.640 9.613 9.806 862 HG13 VAL 111 3HG1 VAL 111 -4.536 10.875 8.559 863 HG21 VAL 111 3HG2 VAL 111 -3.296 9.235 6.353 864 HG22 VAL 111 1HG2 VAL 111 -2.656 10.806 6.860 865 HG23 VAL 111 2HG2 VAL 111 -1.595 9.378 6.799 866 H VAL 112 H VAL 112 -0.804 11.572 8.020 867 HA VAL 112 HA VAL 112 -2.061 14.070 8.854 868 HB VAL 112 HB VAL 112 -0.453 13.721 10.683 869 HG11 VAL 112 1HG1 VAL 112 1.952 13.817 10.387 870 HG12 VAL 112 2HG1 VAL 112 1.295 12.418 9.540 871 HG13 VAL 112 3HG1 VAL 112 1.781 13.867 8.624 872 HG21 VAL 112 3HG2 VAL 112 0.395 16.031 8.904 873 HG22 VAL 112 1HG2 VAL 112 -0.960 16.017 10.068 874 HG23 VAL 112 2HG2 VAL 112 0.699 15.859 10.641 875 HA PRO 113 HA PRO 113 -0.550 14.837 4.631 876 HB2 PRO 113 2HB PRO 113 -1.082 17.493 4.328 877 HB3 PRO 113 3HB PRO 113 -2.348 16.232 4.317 878 HG2 PRO 113 2HG PRO 113 -1.522 18.007 6.630 879 HG3 PRO 113 3HG PRO 113 -3.175 17.629 6.055 880 HD2 PRO 113 2HD PRO 113 -1.998 16.335 8.154 881 HD3 PRO 113 3HD PRO 113 -3.134 15.510 7.063 882 H ASN 114 H ASN 114 1.610 14.583 4.622 883 HA ASN 114 HA ASN 114 3.332 15.603 6.561 884 HB2 ASN 114 2HB ASN 114 3.564 13.496 5.260 885 HB3 ASN 114 3HB ASN 114 4.010 14.428 3.829 886 HD21 ASN 114 1HD2 ASN 114 5.032 13.705 7.204 887 HD22 ASN 114 2HD2 ASN 114 6.734 13.974 6.872 888 H LEU 115 H LEU 115 2.402 17.271 3.690 889 HA LEU 115 HA LEU 115 4.734 18.969 3.426 890 HB2 LEU 115 2HB LEU 115 3.191 18.388 1.591 891 HB3 LEU 115 3HB LEU 115 1.875 19.234 2.411 892 HG LEU 115 HG LEU 115 3.051 21.391 2.082 893 HD11 LEU 115 1HD1 LEU 115 5.405 20.655 2.058 894 HD12 LEU 115 2HD1 LEU 115 5.015 21.489 0.553 895 HD13 LEU 115 3HD1 LEU 115 5.115 19.713 0.577 896 HD21 LEU 115 3HD2 LEU 115 2.799 19.737 -0.461 897 HD22 LEU 115 1HD2 LEU 115 2.767 21.511 -0.350 898 HD23 LEU 115 2HD2 LEU 115 1.469 20.558 0.388 899 H ASN 116 H ASN 116 2.017 19.017 5.599 900 HA ASN 116 HA ASN 116 2.185 21.921 6.148 901 HB2 ASN 116 2HB ASN 116 0.310 19.727 7.122 902 HB3 ASN 116 3HB ASN 116 0.235 21.398 7.665 903 HD21 ASN 116 1HD2 ASN 116 -0.139 23.097 5.980 904 HD22 ASN 116 2HD2 ASN 116 -1.121 22.641 4.594 Start of MODEL 5 1 H1 MET 1 1H MET 1 -26.118 -3.401 -2.482 2 HA MET 1 HA MET 1 -24.697 -3.297 0.088 3 HB2 MET 1 2HB MET 1 -24.147 -5.316 -1.278 4 HB3 MET 1 3HB MET 1 -23.652 -4.258 -2.606 5 HG2 MET 1 2HG MET 1 -21.884 -3.285 -1.138 6 HG3 MET 1 3HG MET 1 -22.431 -4.324 0.181 7 HE1 MET 1 3HE MET 1 -20.123 -5.712 -3.591 8 HE2 MET 1 1HE MET 1 -21.806 -5.165 -3.728 9 HE3 MET 1 2HE MET 1 -20.542 -4.031 -3.196 10 H THR 2 H THR 2 -23.482 -1.494 0.457 11 HA THR 2 HA THR 2 -23.418 0.607 -1.679 12 HB THR 2 HB THR 2 -24.512 1.234 0.403 13 HG1 THR 2 HG1 THR 2 -23.490 3.196 0.506 14 HG21 THR 2 3HG2 THR 2 -23.211 0.091 2.110 15 HG22 THR 2 1HG2 THR 2 -23.143 1.833 2.380 16 HG23 THR 2 2HG2 THR 2 -21.745 1.003 1.665 17 H ASP 3 H ASP 3 -21.479 2.041 -1.719 18 HA ASP 3 HA ASP 3 -19.338 0.433 -2.678 19 HB2 ASP 3 2HB ASP 3 -20.057 2.645 -3.560 20 HB3 ASP 3 3HB ASP 3 -19.402 3.420 -2.115 21 H SER 4 H SER 4 -19.756 1.924 0.468 22 HA SER 4 HA SER 4 -16.971 1.415 1.307 23 HB2 SER 4 2HB SER 4 -19.331 2.513 2.869 24 HB3 SER 4 3HB SER 4 -17.638 2.487 3.398 25 HG SER 4 HG SER 4 -18.334 4.515 2.456 26 H GLU 5 H GLU 5 -19.573 -0.621 1.004 27 HA GLU 5 HA GLU 5 -19.375 -1.966 3.626 28 HB2 GLU 5 2HB GLU 5 -21.487 -1.359 2.449 29 HB3 GLU 5 3HB GLU 5 -21.115 -2.578 1.225 30 HG2 GLU 5 2HG GLU 5 -21.348 -4.331 2.819 31 HG3 GLU 5 3HG GLU 5 -21.423 -3.172 4.155 32 H LYS 6 H LYS 6 -17.902 -2.296 0.604 33 HA LYS 6 HA LYS 6 -16.888 -5.042 1.220 34 HB2 LYS 6 2HB LYS 6 -16.568 -5.336 -1.242 35 HB3 LYS 6 3HB LYS 6 -18.221 -5.305 -0.674 36 HG2 LYS 6 2HG LYS 6 -17.953 -4.163 -2.815 37 HG3 LYS 6 3HG LYS 6 -18.609 -3.103 -1.571 38 HD2 LYS 6 2HD LYS 6 -16.442 -1.994 -1.312 39 HD3 LYS 6 3HD LYS 6 -15.689 -3.113 -2.476 40 HE2 LYS 6 2HE LYS 6 -17.033 -2.238 -4.286 41 HE3 LYS 6 3HE LYS 6 -18.094 -1.385 -3.158 42 HZ1 LYS 6 3HZ LYS 6 -15.259 -0.689 -3.692 43 HZ2 LYS 6 1HZ LYS 6 -16.201 -0.006 -2.515 44 HZ3 LYS 6 2HZ LYS 6 -16.602 0.208 -4.063 45 H SER 7 H SER 7 -14.726 -5.377 -0.098 46 HA SER 7 HA SER 7 -12.774 -3.914 1.291 47 HB2 SER 7 2HB SER 7 -12.279 -5.414 -1.297 48 HB3 SER 7 3HB SER 7 -11.163 -5.154 0.055 49 HG SER 7 HG SER 7 -12.741 -6.373 1.344 50 H ALA 8 H ALA 8 -12.139 -1.837 1.075 51 HA ALA 8 HA ALA 8 -12.345 -0.445 -1.447 52 HB1 ALA 8 3HB ALA 8 -11.502 1.482 -0.208 53 HB2 ALA 8 1HB ALA 8 -12.813 0.674 0.667 54 HB3 ALA 8 2HB ALA 8 -11.122 0.453 1.184 55 H THR 9 H THR 9 -10.946 -2.306 -2.390 56 HA THR 9 HA THR 9 -8.028 -1.755 -2.148 57 HB THR 9 HB THR 9 -7.771 -4.051 -3.167 58 HG1 THR 9 HG1 THR 9 -9.919 -4.327 -3.884 59 HG21 THR 9 3HG2 THR 9 -8.071 -5.213 -1.068 60 HG22 THR 9 1HG2 THR 9 -9.183 -3.962 -0.483 61 HG23 THR 9 2HG2 THR 9 -7.461 -3.582 -0.732 62 H ILE 10 H ILE 10 -6.790 -1.263 -3.832 63 HA ILE 10 HA ILE 10 -7.776 -1.597 -6.624 64 HB ILE 10 HB ILE 10 -6.921 0.586 -7.271 65 HG12 ILE 10 2HG1 ILE 10 -6.455 1.157 -4.312 66 HG13 ILE 10 3HG1 ILE 10 -5.197 0.879 -5.521 67 HG21 ILE 10 1HG2 ILE 10 -9.319 0.280 -6.609 68 HG22 ILE 10 2HG2 ILE 10 -8.921 0.958 -5.013 69 HG23 ILE 10 3HG2 ILE 10 -8.736 1.939 -6.480 70 HD11 ILE 10 3HD1 ILE 10 -5.366 3.241 -5.167 71 HD12 ILE 10 1HD1 ILE 10 -5.998 2.877 -6.786 72 HD13 ILE 10 2HD1 ILE 10 -7.114 3.233 -5.443 73 H LYS 11 H LYS 11 -5.956 -1.369 -8.232 74 HA LYS 11 HA LYS 11 -3.260 -1.625 -7.058 75 HB2 LYS 11 2HB LYS 11 -2.481 -3.292 -8.493 76 HB3 LYS 11 3HB LYS 11 -3.909 -3.914 -7.669 77 HG2 LYS 11 2HG LYS 11 -5.267 -3.427 -9.736 78 HG3 LYS 11 3HG LYS 11 -3.781 -2.928 -10.559 79 HD2 LYS 11 2HD LYS 11 -4.373 -5.695 -9.423 80 HD3 LYS 11 3HD LYS 11 -4.376 -5.240 -11.135 81 HE2 LYS 11 2HE LYS 11 -1.953 -4.674 -10.992 82 HE3 LYS 11 3HE LYS 11 -1.951 -5.122 -9.283 83 HZ1 LYS 11 3HZ LYS 11 -2.604 -7.390 -9.979 84 HZ2 LYS 11 1HZ LYS 11 -1.129 -6.927 -10.502 85 HZ3 LYS 11 2HZ LYS 11 -2.400 -6.965 -11.553 86 H VAL 12 H VAL 12 -1.569 -0.814 -8.229 87 HA VAL 12 HA VAL 12 -2.301 1.220 -10.300 88 HB VAL 12 HB VAL 12 -0.869 2.845 -9.104 89 HG11 VAL 12 1HG1 VAL 12 -3.204 1.844 -7.424 90 HG12 VAL 12 2HG1 VAL 12 -2.514 3.475 -7.437 91 HG13 VAL 12 3HG1 VAL 12 -3.336 2.854 -8.880 92 HG21 VAL 12 3HG2 VAL 12 0.464 1.267 -7.691 93 HG22 VAL 12 1HG2 VAL 12 -0.309 2.556 -6.751 94 HG23 VAL 12 2HG2 VAL 12 -0.993 0.927 -6.734 95 H THR 13 H THR 13 -0.579 2.150 -11.438 96 HA THR 13 HA THR 13 2.027 0.726 -11.698 97 HB THR 13 HB THR 13 1.747 0.654 -14.144 98 HG1 THR 13 HG1 THR 13 -0.345 0.976 -15.008 99 HG21 THR 13 3HG2 THR 13 1.104 -1.373 -12.828 100 HG22 THR 13 1HG2 THR 13 0.261 -1.225 -14.380 101 HG23 THR 13 2HG2 THR 13 -0.587 -0.825 -12.872 102 H ASP 14 H ASP 14 3.482 1.883 -13.126 103 HA ASP 14 HA ASP 14 3.910 4.460 -12.316 104 HB2 ASP 14 2HB ASP 14 5.719 4.433 -13.790 105 HB3 ASP 14 3HB ASP 14 5.475 2.769 -13.367 106 H ALA 15 H ALA 15 1.828 3.558 -14.994 107 HA ALA 15 HA ALA 15 1.576 6.290 -16.047 108 HB1 ALA 15 3HB ALA 15 0.125 3.701 -16.731 109 HB2 ALA 15 1HB ALA 15 0.057 5.218 -17.651 110 HB3 ALA 15 2HB ALA 15 1.585 4.326 -17.536 111 H SER 16 H SER 16 0.028 4.533 -13.495 112 HA SER 16 HA SER 16 -2.457 6.203 -13.640 113 HB2 SER 16 2HB SER 16 -3.603 4.316 -12.573 114 HB3 SER 16 3HB SER 16 -2.940 3.905 -14.159 115 HG SER 16 HG SER 16 -1.486 2.614 -13.268 116 H PHE 17 H PHE 17 0.130 5.140 -11.534 117 HA PHE 17 HA PHE 17 -0.843 5.399 -8.994 118 HB2 PHE 17 2HB PHE 17 1.478 4.757 -9.877 119 HB3 PHE 17 3HB PHE 17 1.869 6.463 -9.891 120 HD1 PHE 17 HD1 PHE 17 1.710 7.725 -7.576 121 HD2 PHE 17 HD2 PHE 17 1.762 3.438 -8.005 122 HE1 PHE 17 HE1 PHE 17 2.401 7.488 -5.200 123 HE2 PHE 17 HE2 PHE 17 2.554 3.212 -5.676 124 HZ PHE 17 HZ PHE 17 2.838 5.243 -4.249 125 H ALA 18 H ALA 18 0.188 8.140 -11.067 126 HA ALA 18 HA ALA 18 -0.024 10.071 -9.000 127 HB1 ALA 18 3HB ALA 18 -0.117 10.442 -12.020 128 HB2 ALA 18 1HB ALA 18 0.188 11.719 -10.818 129 HB3 ALA 18 2HB ALA 18 1.349 10.393 -11.005 130 H THR 19 H THR 19 -2.514 8.787 -11.154 131 HA THR 19 HA THR 19 -4.477 10.842 -10.286 132 HB THR 19 HB THR 19 -4.939 8.349 -11.972 133 HG1 THR 19 HG1 THR 19 -4.296 10.985 -12.812 134 HG21 THR 19 3HG2 THR 19 -6.472 10.978 -11.741 135 HG22 THR 19 1HG2 THR 19 -7.035 9.368 -11.239 136 HG23 THR 19 2HG2 THR 19 -6.787 9.713 -12.953 137 H ASP 20 H ASP 20 -3.619 7.487 -9.533 138 HA ASP 20 HA ASP 20 -6.089 7.095 -7.950 139 HB2 ASP 20 2HB ASP 20 -3.744 5.353 -8.710 140 HB3 ASP 20 3HB ASP 20 -4.861 4.870 -7.438 141 H VAL 21 H VAL 21 -2.604 7.439 -7.217 142 HA VAL 21 HA VAL 21 -3.198 7.451 -4.302 143 HB VAL 21 HB VAL 21 -0.486 7.430 -5.651 144 HG11 VAL 21 1HG1 VAL 21 -1.335 6.709 -2.816 145 HG12 VAL 21 2HG1 VAL 21 0.311 6.655 -3.480 146 HG13 VAL 21 3HG1 VAL 21 -0.498 8.204 -3.289 147 HG21 VAL 21 3HG2 VAL 21 -0.423 5.002 -5.070 148 HG22 VAL 21 1HG2 VAL 21 -2.146 5.080 -4.637 149 HG23 VAL 21 2HG2 VAL 21 -1.616 5.373 -6.311 150 H LEU 22 H LEU 22 -1.392 9.454 -6.713 151 HA LEU 22 HA LEU 22 -0.980 11.497 -4.691 152 HB2 LEU 22 2HB LEU 22 -0.313 11.768 -7.610 153 HB3 LEU 22 3HB LEU 22 0.331 12.680 -6.261 154 HG LEU 22 HG LEU 22 0.802 9.716 -6.771 155 HD11 LEU 22 1HD1 LEU 22 2.688 12.093 -6.969 156 HD12 LEU 22 2HD1 LEU 22 1.978 11.222 -8.343 157 HD13 LEU 22 3HD1 LEU 22 3.102 10.388 -7.257 158 HD21 LEU 22 3HD2 LEU 22 2.496 9.862 -4.976 159 HD22 LEU 22 1HD2 LEU 22 0.871 10.158 -4.346 160 HD23 LEU 22 2HD2 LEU 22 1.982 11.522 -4.623 161 H SER 23 H SER 23 -3.547 10.997 -6.863 162 HA SER 23 HA SER 23 -4.584 13.756 -6.419 163 HB2 SER 23 2HB SER 23 -5.492 11.831 -8.540 164 HB3 SER 23 3HB SER 23 -6.032 13.493 -8.297 165 HG SER 23 HG SER 23 -3.402 12.623 -8.961 166 H SER 24 H SER 24 -4.709 11.331 -4.513 167 HA SER 24 HA SER 24 -7.180 10.050 -4.579 168 HB2 SER 24 2HB SER 24 -6.594 9.362 -2.326 169 HB3 SER 24 3HB SER 24 -5.175 9.300 -3.373 170 HG SER 24 HG SER 24 -5.018 10.368 -1.181 171 H ASN 25 H ASN 25 -6.391 13.062 -2.920 172 HA ASN 25 HA ASN 25 -7.320 14.246 -1.296 173 HB2 ASN 25 2HB ASN 25 -9.468 15.190 -1.587 174 HB3 ASN 25 3HB ASN 25 -8.697 15.023 -3.154 175 HD21 ASN 25 1HD2 ASN 25 -10.986 13.269 -1.000 176 HD22 ASN 25 2HD2 ASN 25 -12.050 12.770 -2.320 177 H LYS 26 H LYS 26 -7.135 11.316 -0.842 178 HA LYS 26 HA LYS 26 -8.237 11.447 1.863 179 HB2 LYS 26 2HB LYS 26 -9.377 9.341 1.840 180 HB3 LYS 26 3HB LYS 26 -10.059 10.343 0.572 181 HG2 LYS 26 2HG LYS 26 -8.737 9.107 -1.128 182 HG3 LYS 26 3HG LYS 26 -8.036 8.093 0.133 183 HD2 LYS 26 2HD LYS 26 -10.996 8.244 -0.581 184 HD3 LYS 26 3HD LYS 26 -9.862 6.984 -1.075 185 HE2 LYS 26 2HE LYS 26 -9.450 6.529 1.410 186 HE3 LYS 26 3HE LYS 26 -10.819 7.599 1.755 187 HZ1 LYS 26 3HZ LYS 26 -11.609 5.310 1.632 188 HZ2 LYS 26 1HZ LYS 26 -10.892 5.087 0.173 189 HZ3 LYS 26 2HZ LYS 26 -12.178 6.093 0.320 190 HA PRO 27 HA PRO 27 -4.506 9.135 2.798 191 HB2 PRO 27 2HB PRO 27 -6.127 7.299 4.537 192 HB3 PRO 27 3HB PRO 27 -4.618 8.179 4.925 193 HG2 PRO 27 2HG PRO 27 -7.011 9.079 5.845 194 HG3 PRO 27 3HG PRO 27 -5.808 10.236 5.196 195 HD2 PRO 27 2HD PRO 27 -8.217 9.054 3.786 196 HD3 PRO 27 3HD PRO 27 -7.671 10.754 3.856 197 H VAL 28 H VAL 28 -3.376 7.439 1.908 198 HA VAL 28 HA VAL 28 -4.862 5.104 0.822 199 HB VAL 28 HB VAL 28 -2.790 6.592 -0.811 200 HG11 VAL 28 1HG1 VAL 28 -3.529 5.079 -2.622 201 HG12 VAL 28 2HG1 VAL 28 -2.887 4.148 -1.269 202 HG13 VAL 28 3HG1 VAL 28 -4.642 4.264 -1.507 203 HG21 VAL 28 3HG2 VAL 28 -4.831 7.929 -0.778 204 HG22 VAL 28 1HG2 VAL 28 -4.693 7.120 -2.339 205 HG23 VAL 28 2HG2 VAL 28 -5.823 6.494 -1.118 206 H LEU 29 H LEU 29 -3.999 3.246 1.368 207 HA LEU 29 HA LEU 29 -1.264 3.104 2.548 208 HB2 LEU 29 2HB LEU 29 -3.615 2.243 3.567 209 HB3 LEU 29 3HB LEU 29 -3.361 0.914 2.510 210 HG LEU 29 HG LEU 29 -1.230 0.350 3.643 211 HD11 LEU 29 1HD1 LEU 29 -2.002 2.574 5.585 212 HD12 LEU 29 2HD1 LEU 29 -0.563 2.561 4.534 213 HD13 LEU 29 3HD1 LEU 29 -0.714 1.381 5.834 214 HD21 LEU 29 3HD2 LEU 29 -3.716 0.688 5.390 215 HD22 LEU 29 1HD2 LEU 29 -2.345 -0.356 5.770 216 HD23 LEU 29 2HD2 LEU 29 -3.324 -0.696 4.339 217 H VAL 30 H VAL 30 0.188 2.895 0.782 218 HA VAL 30 HA VAL 30 -0.601 1.031 -1.403 219 HB VAL 30 HB VAL 30 1.787 2.865 -1.422 220 HG11 VAL 30 1HG1 VAL 30 0.175 1.483 -3.615 221 HG12 VAL 30 2HG1 VAL 30 1.545 2.578 -3.859 222 HG13 VAL 30 3HG1 VAL 30 1.803 1.022 -3.069 223 HG21 VAL 30 3HG2 VAL 30 -0.228 4.287 -1.155 224 HG22 VAL 30 1HG2 VAL 30 0.512 4.441 -2.748 225 HG23 VAL 30 2HG2 VAL 30 -0.965 3.486 -2.557 226 H ASP 31 H ASP 31 0.132 -0.991 -1.408 227 HA ASP 31 HA ASP 31 2.611 -1.705 0.086 228 HB2 ASP 31 2HB ASP 31 0.498 -2.865 0.675 229 HB3 ASP 31 3HB ASP 31 0.386 -3.474 -0.974 230 H PHE 32 H PHE 32 4.402 -1.929 -1.002 231 HA PHE 32 HA PHE 32 4.464 -2.548 -3.909 232 HB2 PHE 32 2HB PHE 32 6.537 -1.537 -1.933 233 HB3 PHE 32 3HB PHE 32 6.931 -2.099 -3.545 234 HD1 PHE 32 HD1 PHE 32 4.549 0.353 -1.884 235 HD2 PHE 32 HD2 PHE 32 7.133 -0.516 -5.228 236 HE1 PHE 32 HE1 PHE 32 4.034 2.567 -2.865 237 HE2 PHE 32 HE2 PHE 32 6.642 1.719 -6.173 238 HZ PHE 32 HZ PHE 32 5.071 3.257 -5.007 239 H TRP 33 H TRP 33 4.493 -4.625 -4.406 240 HA TRP 33 HA TRP 33 5.935 -6.614 -2.760 241 HB2 TRP 33 2HB TRP 33 4.072 -7.904 -2.240 242 HB3 TRP 33 3HB TRP 33 3.646 -6.278 -1.767 243 HD1 TRP 33 HD1 TRP 33 2.888 -6.052 -5.251 244 HE1 TRP 33 HE1 TRP 33 0.615 -6.874 -5.936 245 HE3 TRP 33 HE3 TRP 33 1.596 -8.379 -0.876 246 HZ2 TRP 33 HZ2 TRP 33 -1.587 -8.374 -4.705 247 HZ3 TRP 33 HZ3 TRP 33 -0.631 -9.422 -0.632 248 HH2 TRP 33 HH2 TRP 33 -2.239 -9.420 -2.522 249 H ALA 34 H ALA 34 5.563 -8.895 -3.709 250 HA ALA 34 HA ALA 34 5.346 -8.846 -6.684 251 HB1 ALA 34 3HB ALA 34 6.984 -10.642 -6.785 252 HB2 ALA 34 1HB ALA 34 7.695 -9.238 -5.979 253 HB3 ALA 34 2HB ALA 34 7.163 -10.643 -5.022 254 H THR 35 H THR 35 4.817 -11.215 -7.463 255 HA THR 35 HA THR 35 2.306 -11.994 -6.211 256 HB THR 35 HB THR 35 2.315 -13.758 -8.003 257 HG1 THR 35 HG1 THR 35 3.948 -13.588 -9.559 258 HG21 THR 35 3HG2 THR 35 1.338 -11.502 -8.408 259 HG22 THR 35 1HG2 THR 35 2.026 -12.218 -9.874 260 HG23 THR 35 2HG2 THR 35 2.911 -10.938 -9.015 261 H TRP 36 H TRP 36 5.561 -13.026 -5.790 262 HA TRP 36 HA TRP 36 4.800 -15.731 -4.833 263 HB2 TRP 36 2HB TRP 36 7.209 -16.200 -5.474 264 HB3 TRP 36 3HB TRP 36 6.097 -15.799 -6.765 265 HD1 TRP 36 HD1 TRP 36 6.722 -13.931 -8.354 266 HE1 TRP 36 HE1 TRP 36 8.585 -12.173 -8.553 267 HE3 TRP 36 HE3 TRP 36 8.947 -14.604 -3.776 268 HZ2 TRP 36 HZ2 TRP 36 10.700 -11.134 -6.895 269 HZ3 TRP 36 HZ3 TRP 36 10.868 -13.184 -3.105 270 HH2 TRP 36 HH2 TRP 36 11.751 -11.449 -4.647 271 H CYS 37 H CYS 37 5.706 -12.860 -3.300 272 HA CYS 37 HA CYS 37 7.702 -13.975 -1.515 273 HB2 CYS 37 2HB CYS 37 7.251 -11.695 -0.313 274 HB3 CYS 37 3HB CYS 37 8.146 -11.812 -1.813 275 H GLY 38 H GLY 38 7.569 -14.828 0.452 276 HA2 GLY 38 2HA GLY 38 5.209 -15.946 1.498 277 HA3 GLY 38 3HA GLY 38 6.719 -15.735 2.386 278 HA PRO 39 HA PRO 39 4.893 -12.686 4.978 279 HB2 PRO 39 2HB PRO 39 6.410 -10.368 4.903 280 HB3 PRO 39 3HB PRO 39 6.879 -11.879 5.737 281 HG2 PRO 39 2HG PRO 39 7.689 -10.940 2.976 282 HG3 PRO 39 3HG PRO 39 8.730 -11.601 4.275 283 HD2 PRO 39 2HD PRO 39 7.868 -13.151 2.241 284 HD3 PRO 39 3HD PRO 39 7.932 -13.807 3.903 285 H CYS 40 H CYS 40 5.319 -11.560 1.634 286 HA CYS 40 HA CYS 40 3.364 -9.419 1.920 287 HB2 CYS 40 2HB CYS 40 3.722 -8.902 -0.254 288 HB3 CYS 40 3HB CYS 40 5.279 -9.505 0.267 289 H LYS 41 H LYS 41 3.224 -12.856 0.867 290 HA LYS 41 HA LYS 41 0.373 -12.894 0.415 291 HB2 LYS 41 2HB LYS 41 2.538 -14.793 0.402 292 HB3 LYS 41 3HB LYS 41 1.381 -15.377 1.576 293 HG2 LYS 41 2HG LYS 41 0.835 -16.350 -0.518 294 HG3 LYS 41 3HG LYS 41 -0.428 -15.167 -0.155 295 HD2 LYS 41 2HD LYS 41 0.640 -13.550 -1.724 296 HD3 LYS 41 3HD LYS 41 1.944 -14.716 -2.038 297 HE2 LYS 41 2HE LYS 41 0.302 -16.340 -2.917 298 HE3 LYS 41 3HE LYS 41 -1.024 -15.228 -2.550 299 HZ1 LYS 41 3HZ LYS 41 1.165 -14.681 -4.493 300 HZ2 LYS 41 1HZ LYS 41 -0.077 -13.666 -4.157 301 HZ3 LYS 41 2HZ LYS 41 -0.365 -15.099 -4.885 302 H MET 42 H MET 42 2.294 -13.350 3.394 303 HA MET 42 HA MET 42 0.118 -14.006 5.087 304 HB2 MET 42 2HB MET 42 2.736 -12.613 5.753 305 HB3 MET 42 3HB MET 42 1.592 -13.186 6.961 306 HG2 MET 42 2HG MET 42 2.927 -14.968 4.895 307 HG3 MET 42 3HG MET 42 3.460 -14.762 6.560 308 HE1 MET 42 3HE MET 42 2.080 -18.434 6.443 309 HE2 MET 42 1HE MET 42 2.890 -17.561 5.124 310 HE3 MET 42 2HE MET 42 3.482 -17.399 6.794 311 H VAL 43 H VAL 43 1.104 -10.732 4.040 312 HA VAL 43 HA VAL 43 -0.885 -9.522 5.847 313 HB VAL 43 HB VAL 43 -0.224 -7.376 4.934 314 HG11 VAL 43 1HG1 VAL 43 0.922 -8.370 6.878 315 HG12 VAL 43 2HG1 VAL 43 2.157 -9.048 5.792 316 HG13 VAL 43 3HG1 VAL 43 1.966 -7.282 5.937 317 HG21 VAL 43 3HG2 VAL 43 0.457 -8.069 2.633 318 HG22 VAL 43 1HG2 VAL 43 1.683 -7.101 3.466 319 HG23 VAL 43 2HG2 VAL 43 1.881 -8.855 3.340 320 H ALA 44 H ALA 44 -1.238 -11.018 2.820 321 HA ALA 44 HA ALA 44 -2.955 -9.185 1.534 322 HB1 ALA 44 3HB ALA 44 -1.937 -11.098 0.414 323 HB2 ALA 44 1HB ALA 44 -2.991 -12.211 1.296 324 HB3 ALA 44 2HB ALA 44 -3.692 -11.039 0.171 325 HA PRO 45 HA PRO 45 -6.751 -11.094 3.862 326 HB2 PRO 45 2HB PRO 45 -5.453 -11.942 6.442 327 HB3 PRO 45 3HB PRO 45 -6.843 -12.669 5.581 328 HG2 PRO 45 2HG PRO 45 -4.400 -13.840 5.502 329 HG3 PRO 45 3HG PRO 45 -5.407 -13.750 4.016 330 HD2 PRO 45 2HD PRO 45 -3.135 -11.931 4.859 331 HD3 PRO 45 3HD PRO 45 -3.411 -12.727 3.286 332 H VAL 46 H VAL 46 -4.048 -9.774 5.804 333 HA VAL 46 HA VAL 46 -5.606 -8.109 7.519 334 HB VAL 46 HB VAL 46 -2.698 -8.098 6.651 335 HG11 VAL 46 1HG1 VAL 46 -3.905 -6.260 8.726 336 HG12 VAL 46 2HG1 VAL 46 -2.170 -6.594 8.549 337 HG13 VAL 46 3HG1 VAL 46 -3.052 -5.807 7.243 338 HG21 VAL 46 3HG2 VAL 46 -2.282 -8.980 8.890 339 HG22 VAL 46 1HG2 VAL 46 -4.006 -8.836 9.300 340 HG23 VAL 46 2HG2 VAL 46 -3.466 -9.990 8.064 341 H LEU 47 H LEU 47 -3.885 -7.311 4.467 342 HA LEU 47 HA LEU 47 -4.733 -4.536 4.460 343 HB2 LEU 47 2HB LEU 47 -3.476 -4.333 2.542 344 HB3 LEU 47 3HB LEU 47 -2.670 -5.559 3.461 345 HG LEU 47 HG LEU 47 -3.955 -7.255 1.980 346 HD11 LEU 47 1HD1 LEU 47 -4.017 -4.816 0.142 347 HD12 LEU 47 2HD1 LEU 47 -5.459 -5.616 0.774 348 HD13 LEU 47 3HD1 LEU 47 -4.399 -6.493 -0.319 349 HD21 LEU 47 3HD2 LEU 47 -1.529 -6.893 1.906 350 HD22 LEU 47 1HD2 LEU 47 -1.748 -5.502 0.829 351 HD23 LEU 47 2HD2 LEU 47 -2.163 -7.139 0.275 352 H GLU 48 H GLU 48 -6.157 -7.499 2.925 353 HA GLU 48 HA GLU 48 -8.283 -5.993 1.644 354 HB2 GLU 48 2HB GLU 48 -8.029 -8.914 2.458 355 HB3 GLU 48 3HB GLU 48 -9.453 -8.247 1.653 356 HG2 GLU 48 2HG GLU 48 -8.077 -7.500 -0.251 357 HG3 GLU 48 3HG GLU 48 -6.631 -8.157 0.505 358 H GLU 49 H GLU 49 -8.087 -7.584 4.872 359 HA GLU 49 HA GLU 49 -10.797 -6.941 5.597 360 HB2 GLU 49 2HB GLU 49 -8.344 -7.679 7.213 361 HB3 GLU 49 3HB GLU 49 -9.892 -7.273 7.964 362 HG2 GLU 49 2HG GLU 49 -11.031 -9.039 6.719 363 HG3 GLU 49 3HG GLU 49 -9.549 -9.493 5.900 364 H ILE 50 H ILE 50 -7.708 -5.155 6.364 365 HA ILE 50 HA ILE 50 -9.043 -2.970 7.670 366 HB ILE 50 HB ILE 50 -6.456 -3.249 6.167 367 HG12 ILE 50 2HG1 ILE 50 -6.630 -4.362 8.393 368 HG13 ILE 50 3HG1 ILE 50 -5.379 -3.134 8.332 369 HG21 ILE 50 1HG2 ILE 50 -5.729 -1.025 7.116 370 HG22 ILE 50 2HG2 ILE 50 -6.909 -0.933 5.810 371 HG23 ILE 50 3HG2 ILE 50 -7.439 -0.698 7.488 372 HD11 ILE 50 3HD1 ILE 50 -8.119 -2.788 9.633 373 HD12 ILE 50 1HD1 ILE 50 -6.582 -3.062 10.459 374 HD13 ILE 50 2HD1 ILE 50 -6.835 -1.555 9.578 375 H ALA 51 H ALA 51 -8.358 -3.514 4.166 376 HA ALA 51 HA ALA 51 -9.423 -1.011 3.289 377 HB1 ALA 51 3HB ALA 51 -9.417 -3.716 1.881 378 HB2 ALA 51 1HB ALA 51 -9.570 -2.120 1.122 379 HB3 ALA 51 2HB ALA 51 -8.060 -2.580 1.908 380 H THR 52 H THR 52 -11.064 -4.084 4.167 381 HA THR 52 HA THR 52 -13.657 -3.176 3.149 382 HB THR 52 HB THR 52 -12.969 -5.451 5.073 383 HG1 THR 52 HG1 THR 52 -11.897 -5.789 3.191 384 HG21 THR 52 3HG2 THR 52 -15.397 -4.976 3.285 385 HG22 THR 52 1HG2 THR 52 -15.383 -5.009 5.061 386 HG23 THR 52 2HG2 THR 52 -15.049 -6.488 4.151 387 H GLU 53 H GLU 53 -12.009 -3.317 6.325 388 HA GLU 53 HA GLU 53 -14.435 -2.565 7.781 389 HB2 GLU 53 2HB GLU 53 -11.573 -3.068 8.693 390 HB3 GLU 53 3HB GLU 53 -12.940 -2.732 9.759 391 HG2 GLU 53 2HG GLU 53 -14.129 -4.721 8.656 392 HG3 GLU 53 3HG GLU 53 -12.603 -5.170 7.965 393 H ARG 54 H ARG 54 -11.747 -0.790 6.490 394 HA ARG 54 HA ARG 54 -12.661 1.718 7.868 395 HB2 ARG 54 2HB ARG 54 -9.820 0.853 7.254 396 HB3 ARG 54 3HB ARG 54 -10.284 2.375 8.006 397 HG2 ARG 54 2HG ARG 54 -10.725 -0.375 9.247 398 HG3 ARG 54 3HG ARG 54 -9.400 0.719 9.613 399 HD2 ARG 54 2HD ARG 54 -10.931 2.417 10.458 400 HD3 ARG 54 3HD ARG 54 -12.332 1.456 10.009 401 HE ARG 54 HE ARG 54 -10.448 0.948 12.245 402 HH11 ARG 54 1HH1 ARG 54 -13.347 -0.189 10.581 403 HH12 ARG 54 2HH1 ARG 54 -13.841 -1.135 11.961 404 HH21 ARG 54 1HH2 ARG 54 -11.145 -0.332 13.918 405 HH22 ARG 54 2HH2 ARG 54 -12.618 -1.238 13.763 406 H ALA 55 H ALA 55 -13.362 0.643 5.191 407 HA ALA 55 HA ALA 55 -12.173 1.876 3.029 408 HB1 ALA 55 3HB ALA 55 -14.448 1.731 2.004 409 HB2 ALA 55 1HB ALA 55 -14.046 0.266 2.922 410 HB3 ALA 55 2HB ALA 55 -15.150 1.475 3.611 411 H THR 56 H THR 56 -14.319 3.463 5.374 412 HA THR 56 HA THR 56 -14.632 5.948 3.874 413 HB THR 56 HB THR 56 -15.665 6.722 6.058 414 HG1 THR 56 HG1 THR 56 -16.055 5.109 7.581 415 HG21 THR 56 3HG2 THR 56 -17.675 5.349 5.833 416 HG22 THR 56 1HG2 THR 56 -16.774 4.114 4.926 417 HG23 THR 56 2HG2 THR 56 -17.026 5.731 4.229 418 H ASP 57 H ASP 57 -12.196 4.720 6.011 419 HA ASP 57 HA ASP 57 -11.133 7.440 6.620 420 HB2 ASP 57 2HB ASP 57 -10.344 4.695 7.654 421 HB3 ASP 57 3HB ASP 57 -9.568 6.210 8.095 422 H LEU 58 H LEU 58 -10.240 4.391 4.915 423 HA LEU 58 HA LEU 58 -8.346 5.930 3.286 424 HB2 LEU 58 2HB LEU 58 -6.381 4.831 3.826 425 HB3 LEU 58 3HB LEU 58 -7.108 5.265 5.341 426 HG LEU 58 HG LEU 58 -6.114 3.231 5.694 427 HD11 LEU 58 1HD1 LEU 58 -8.944 2.307 5.139 428 HD12 LEU 58 2HD1 LEU 58 -8.487 3.287 6.545 429 HD13 LEU 58 3HD1 LEU 58 -7.791 1.670 6.324 430 HD21 LEU 58 3HD2 LEU 58 -7.455 1.867 3.358 431 HD22 LEU 58 1HD2 LEU 58 -6.180 1.272 4.428 432 HD23 LEU 58 2HD2 LEU 58 -5.831 2.587 3.290 433 H THR 59 H THR 59 -7.403 4.796 1.503 434 HA THR 59 HA THR 59 -8.901 2.359 0.558 435 HB THR 59 HB THR 59 -7.579 4.566 -1.056 436 HG1 THR 59 HG1 THR 59 -9.761 4.611 -1.897 437 HG21 THR 59 3HG2 THR 59 -8.397 3.383 -3.060 438 HG22 THR 59 1HG2 THR 59 -8.929 2.020 -2.056 439 HG23 THR 59 2HG2 THR 59 -7.198 2.408 -2.213 440 H VAL 60 H VAL 60 -7.657 0.549 0.038 441 HA VAL 60 HA VAL 60 -4.713 0.762 0.588 442 HB VAL 60 HB VAL 60 -6.454 -1.686 0.584 443 HG11 VAL 60 1HG1 VAL 60 -3.530 -1.383 1.363 444 HG12 VAL 60 2HG1 VAL 60 -4.534 -2.844 1.497 445 HG13 VAL 60 3HG1 VAL 60 -4.134 -2.212 -0.094 446 HG21 VAL 60 3HG2 VAL 60 -6.005 -1.790 3.017 447 HG22 VAL 60 1HG2 VAL 60 -5.219 -0.207 2.916 448 HG23 VAL 60 2HG2 VAL 60 -6.950 -0.372 2.558 449 H ALA 61 H ALA 61 -3.269 0.371 -0.989 450 HA ALA 61 HA ALA 61 -4.269 -0.401 -3.693 451 HB1 ALA 61 3HB ALA 61 -2.772 1.309 -4.625 452 HB2 ALA 61 1HB ALA 61 -3.944 2.038 -3.504 453 HB3 ALA 61 2HB ALA 61 -2.273 1.765 -2.983 454 H LYS 62 H LYS 62 -2.910 -1.654 -4.970 455 HA LYS 62 HA LYS 62 -0.355 -2.670 -3.733 456 HB2 LYS 62 2HB LYS 62 -2.440 -4.011 -5.473 457 HB3 LYS 62 3HB LYS 62 -0.768 -4.538 -5.518 458 HG2 LYS 62 2HG LYS 62 -1.923 -5.940 -4.010 459 HG3 LYS 62 3HG LYS 62 -0.744 -4.991 -3.124 460 HD2 LYS 62 2HD LYS 62 -2.799 -5.297 -1.860 461 HD3 LYS 62 3HD LYS 62 -2.515 -3.599 -2.180 462 HE2 LYS 62 2HE LYS 62 -4.869 -4.045 -2.472 463 HE3 LYS 62 3HE LYS 62 -4.173 -3.675 -4.049 464 HZ1 LYS 62 3HZ LYS 62 -5.642 -5.614 -4.156 465 HZ2 LYS 62 1HZ LYS 62 -4.754 -6.419 -3.048 466 HZ3 LYS 62 2HZ LYS 62 -4.123 -6.076 -4.516 467 H LEU 63 H LEU 63 1.498 -2.413 -4.732 468 HA LEU 63 HA LEU 63 1.534 -1.807 -7.651 469 HB2 LEU 63 2HB LEU 63 2.307 0.134 -6.356 470 HB3 LEU 63 3HB LEU 63 3.522 -0.845 -5.562 471 HG LEU 63 HG LEU 63 4.355 0.633 -7.353 472 HD11 LEU 63 1HD1 LEU 63 5.996 -0.752 -8.220 473 HD12 LEU 63 2HD1 LEU 63 4.943 -2.158 -8.301 474 HD13 LEU 63 3HD1 LEU 63 5.506 -1.571 -6.724 475 HD21 LEU 63 3HD2 LEU 63 4.081 0.066 -9.726 476 HD22 LEU 63 1HD2 LEU 63 2.555 0.539 -8.965 477 HD23 LEU 63 2HD2 LEU 63 2.903 -1.173 -9.309 478 H ASP 64 H ASP 64 2.438 -3.314 -8.828 479 HA ASP 64 HA ASP 64 3.562 -5.728 -7.495 480 HB2 ASP 64 2HB ASP 64 2.569 -5.253 -10.321 481 HB3 ASP 64 3HB ASP 64 3.280 -6.761 -9.741 482 H VAL 65 H VAL 65 5.711 -5.261 -7.033 483 HA VAL 65 HA VAL 65 7.403 -3.711 -8.764 484 HB VAL 65 HB VAL 65 9.198 -4.164 -7.330 485 HG11 VAL 65 1HG1 VAL 65 7.435 -2.769 -6.336 486 HG12 VAL 65 2HG1 VAL 65 6.746 -4.201 -5.544 487 HG13 VAL 65 3HG1 VAL 65 8.374 -3.643 -5.119 488 HG21 VAL 65 3HG2 VAL 65 7.718 -6.535 -6.140 489 HG22 VAL 65 1HG2 VAL 65 9.173 -6.600 -7.152 490 HG23 VAL 65 2HG2 VAL 65 9.253 -5.856 -5.561 491 H ASP 66 H ASP 66 6.579 -7.049 -8.808 492 HA ASP 66 HA ASP 66 8.832 -8.104 -10.249 493 HB2 ASP 66 2HB ASP 66 7.152 -9.329 -8.803 494 HB3 ASP 66 3HB ASP 66 5.974 -9.146 -10.099 495 H THR 67 H THR 67 5.890 -6.451 -11.301 496 HA THR 67 HA THR 67 6.578 -6.930 -14.183 497 HB THR 67 HB THR 67 4.171 -6.731 -14.658 498 HG1 THR 67 HG1 THR 67 2.735 -6.858 -12.919 499 HG21 THR 67 3HG2 THR 67 4.723 -8.905 -12.591 500 HG22 THR 67 1HG2 THR 67 5.192 -8.982 -14.303 501 HG23 THR 67 2HG2 THR 67 3.478 -8.916 -13.858 502 H ASN 68 H ASN 68 5.808 -4.462 -11.802 503 HA ASN 68 HA ASN 68 6.306 -2.407 -13.903 504 HB2 ASN 68 2HB ASN 68 3.869 -2.629 -13.166 505 HB3 ASN 68 3HB ASN 68 4.377 -2.031 -11.585 506 HD21 ASN 68 1HD2 ASN 68 4.405 -1.254 -15.093 507 HD22 ASN 68 2HD2 ASN 68 4.437 0.491 -14.871 508 HA PRO 69 HA PRO 69 9.367 -2.096 -10.370 509 HB2 PRO 69 2HB PRO 69 11.691 -2.179 -11.812 510 HB3 PRO 69 3HB PRO 69 10.808 -3.645 -11.297 511 HG2 PRO 69 2HG PRO 69 10.637 -2.226 -13.981 512 HG3 PRO 69 3HG PRO 69 10.927 -3.970 -13.671 513 HD2 PRO 69 2HD PRO 69 8.449 -3.052 -14.235 514 HD3 PRO 69 3HD PRO 69 8.689 -4.318 -12.992 515 H GLU 70 H GLU 70 8.630 -0.255 -13.235 516 HA GLU 70 HA GLU 70 10.412 1.947 -12.928 517 HB2 GLU 70 2HB GLU 70 7.595 1.768 -14.078 518 HB3 GLU 70 3HB GLU 70 8.639 3.182 -14.233 519 HG2 GLU 70 2HG GLU 70 9.291 0.415 -15.311 520 HG3 GLU 70 3HG GLU 70 8.645 1.752 -16.252 521 H THR 71 H THR 71 7.242 1.314 -11.368 522 HA THR 71 HA THR 71 7.330 3.831 -9.869 523 HB THR 71 HB THR 71 5.718 1.459 -9.127 524 HG1 THR 71 HG1 THR 71 5.034 1.751 -11.171 525 HG21 THR 71 3HG2 THR 71 5.188 4.442 -8.871 526 HG22 THR 71 1HG2 THR 71 5.640 3.350 -7.542 527 HG23 THR 71 2HG2 THR 71 4.098 3.132 -8.366 528 H ALA 72 H ALA 72 8.416 0.473 -9.308 529 HA ALA 72 HA ALA 72 8.875 0.727 -6.491 530 HB1 ALA 72 3HB ALA 72 10.175 -1.295 -6.721 531 HB2 ALA 72 1HB ALA 72 8.755 -1.424 -7.779 532 HB3 ALA 72 2HB ALA 72 10.354 -1.058 -8.466 533 H ARG 73 H ARG 73 11.026 1.391 -9.301 534 HA ARG 73 HA ARG 73 13.113 2.519 -7.582 535 HB2 ARG 73 2HB ARG 73 14.310 3.059 -9.534 536 HB3 ARG 73 3HB ARG 73 13.620 1.452 -9.748 537 HG2 ARG 73 2HG ARG 73 11.825 2.445 -11.176 538 HG3 ARG 73 3HG ARG 73 12.570 4.041 -10.984 539 HD2 ARG 73 2HD ARG 73 14.692 3.077 -11.985 540 HD3 ARG 73 3HD ARG 73 13.811 1.577 -12.273 541 HE ARG 73 HE ARG 73 12.665 2.536 -14.053 542 HH11 ARG 73 1HH2 ARG 73 14.492 5.101 -12.482 543 HH12 ARG 73 2HH2 ARG 73 14.146 6.235 -13.758 544 HH21 ARG 73 1HH1 ARG 73 12.171 4.057 -15.559 545 HH22 ARG 73 2HH1 ARG 73 12.898 5.647 -15.472 546 H ASN 74 H ASN 74 10.237 3.894 -9.084 547 HA ASN 74 HA ASN 74 10.853 6.635 -8.942 548 HB2 ASN 74 2HB ASN 74 8.671 5.440 -9.806 549 HB3 ASN 74 3HB ASN 74 8.134 5.508 -8.145 550 HD21 ASN 74 1HD2 ASN 74 7.361 7.476 -7.287 551 HD22 ASN 74 2HD2 ASN 74 7.339 8.941 -8.251 552 H PHE 75 H PHE 75 9.635 4.495 -6.371 553 HA PHE 75 HA PHE 75 10.152 6.584 -4.308 554 HB2 PHE 75 2HB PHE 75 8.442 4.083 -4.217 555 HB3 PHE 75 3HB PHE 75 8.656 5.217 -2.889 556 HD1 PHE 75 HD2 PHE 75 7.958 7.660 -3.187 557 HD2 PHE 75 HD1 PHE 75 6.849 4.553 -5.956 558 HE1 PHE 75 HE2 PHE 75 6.169 9.119 -4.109 559 HE2 PHE 75 HE1 PHE 75 5.040 6.004 -6.861 560 HZ PHE 75 HZ PHE 75 4.711 8.291 -5.946 561 H GLN 76 H GLN 76 12.073 4.468 -5.641 562 HA GLN 76 HA GLN 76 13.795 3.121 -5.071 563 HB2 GLN 76 2HB GLN 76 14.050 5.213 -2.886 564 HB3 GLN 76 3HB GLN 76 15.337 4.118 -3.381 565 HG2 GLN 76 2HG GLN 76 14.022 6.170 -5.220 566 HG3 GLN 76 3HG GLN 76 15.518 6.411 -4.339 567 HE21 GLN 76 1HE2 GLN 76 15.852 6.829 -6.920 568 HE22 GLN 76 2HE2 GLN 76 16.629 5.456 -7.696 569 H VAL 77 H VAL 77 11.700 1.742 -4.396 570 HA VAL 77 HA VAL 77 11.961 0.654 -1.651 571 HB VAL 77 HB VAL 77 10.161 -0.155 -3.972 572 HG11 VAL 77 1HG1 VAL 77 10.539 -2.106 -2.537 573 HG12 VAL 77 2HG1 VAL 77 10.243 -1.129 -1.081 574 HG13 VAL 77 3HG1 VAL 77 8.933 -1.460 -2.230 575 HG21 VAL 77 3HG2 VAL 77 8.369 0.835 -2.563 576 HG22 VAL 77 1HG2 VAL 77 9.583 1.355 -1.378 577 HG23 VAL 77 2HG2 VAL 77 9.567 2.047 -3.016 578 H VAL 78 H VAL 78 13.121 -0.998 -1.087 579 HA VAL 78 HA VAL 78 14.576 -2.585 -3.171 580 HB VAL 78 HB VAL 78 16.475 -2.612 -1.634 581 HG11 VAL 78 1HG1 VAL 78 16.315 -0.913 -3.426 582 HG12 VAL 78 2HG1 VAL 78 15.576 0.221 -2.274 583 HG13 VAL 78 3HG1 VAL 78 17.238 -0.346 -2.024 584 HG21 VAL 78 3HG2 VAL 78 15.311 -2.242 0.532 585 HG22 VAL 78 1HG2 VAL 78 16.637 -1.104 0.270 586 HG23 VAL 78 2HG2 VAL 78 14.965 -0.565 0.047 587 H SER 79 H SER 79 12.543 -2.919 -0.406 588 HA SER 79 HA SER 79 13.017 -5.870 -0.367 589 HB2 SER 79 2HB SER 79 12.501 -4.033 1.997 590 HB3 SER 79 3HB SER 79 12.475 -5.807 2.064 591 HG SER 79 HG SER 79 14.512 -4.949 2.696 592 H ILE 80 H ILE 80 11.119 -7.117 0.285 593 HA ILE 80 HA ILE 80 8.533 -5.702 0.040 594 HB ILE 80 HB ILE 80 7.640 -7.446 -1.437 595 HG12 ILE 80 2HG1 ILE 80 10.543 -8.349 -1.700 596 HG13 ILE 80 3HG1 ILE 80 9.178 -9.286 -1.087 597 HG21 ILE 80 1HG2 ILE 80 8.474 -5.181 -2.198 598 HG22 ILE 80 2HG2 ILE 80 9.968 -5.980 -2.725 599 HG23 ILE 80 3HG2 ILE 80 8.405 -6.421 -3.447 600 HD11 ILE 80 3HD1 ILE 80 9.678 -8.406 -3.951 601 HD12 ILE 80 1HD1 ILE 80 9.595 -10.050 -3.297 602 HD13 ILE 80 2HD1 ILE 80 8.124 -9.061 -3.391 603 HA PRO 81 HA PRO 81 6.301 -6.108 0.287 604 HB2 PRO 81 2HB PRO 81 4.534 -5.774 2.319 605 HB3 PRO 81 3HB PRO 81 4.531 -7.231 1.285 606 HG2 PRO 81 2HG PRO 81 5.799 -6.878 4.022 607 HG3 PRO 81 3HG PRO 81 4.745 -8.210 3.466 608 HD2 PRO 81 2HD PRO 81 7.479 -8.399 3.462 609 HD3 PRO 81 3HD PRO 81 6.485 -9.176 2.199 610 H THR 82 H THR 82 6.439 -3.909 0.325 611 HA THR 82 HA THR 82 7.279 -2.521 2.845 612 HB THR 82 HB THR 82 8.189 -1.846 0.037 613 HG1 THR 82 HG1 THR 82 9.701 -3.066 0.832 614 HG21 THR 82 3HG2 THR 82 9.372 0.073 1.093 615 HG22 THR 82 1HG2 THR 82 8.498 -0.232 2.610 616 HG23 THR 82 2HG2 THR 82 7.619 0.278 1.148 617 H LEU 83 H LEU 83 5.688 -1.342 3.566 618 HA LEU 83 HA LEU 83 3.558 -0.431 1.711 619 HB2 LEU 83 2HB LEU 83 3.467 -0.943 4.691 620 HB3 LEU 83 3HB LEU 83 2.213 -0.115 3.776 621 HG LEU 83 HG LEU 83 2.157 -2.270 2.313 622 HD11 LEU 83 1HD1 LEU 83 2.645 -4.352 3.604 623 HD12 LEU 83 2HD1 LEU 83 3.444 -3.376 4.857 624 HD13 LEU 83 3HD1 LEU 83 4.112 -3.470 3.212 625 HD21 LEU 83 3HD2 LEU 83 1.180 -2.333 5.193 626 HD22 LEU 83 1HD2 LEU 83 0.532 -3.295 3.846 627 HD23 LEU 83 2HD2 LEU 83 0.352 -1.538 3.833 628 H ILE 84 H ILE 84 3.033 1.680 1.554 629 HA ILE 84 HA ILE 84 4.429 3.684 3.231 630 HB ILE 84 HB ILE 84 5.905 3.576 1.433 631 HG12 ILE 84 2HG1 ILE 84 5.755 5.690 0.233 632 HG13 ILE 84 3HG1 ILE 84 4.068 5.891 0.699 633 HG21 ILE 84 1HG2 ILE 84 4.670 2.271 -0.200 634 HG22 ILE 84 2HG2 ILE 84 3.593 3.647 -0.513 635 HG23 ILE 84 3HG2 ILE 84 5.310 3.729 -0.954 636 HD11 ILE 84 3HD1 ILE 84 5.905 7.170 2.001 637 HD12 ILE 84 1HD1 ILE 84 4.626 6.387 2.928 638 HD13 ILE 84 2HD1 ILE 84 6.238 5.627 2.798 639 H LEU 85 H LEU 85 3.087 5.014 4.050 640 HA LEU 85 HA LEU 85 0.272 5.070 3.134 641 HB2 LEU 85 2HB LEU 85 0.710 4.387 5.405 642 HB3 LEU 85 3HB LEU 85 1.663 5.831 5.717 643 HG LEU 85 HG LEU 85 -0.271 7.252 5.675 644 HD11 LEU 85 1HD1 LEU 85 -2.581 6.350 5.416 645 HD12 LEU 85 2HD1 LEU 85 -1.901 4.803 4.869 646 HD13 LEU 85 3HD1 LEU 85 -1.661 6.282 3.919 647 HD21 LEU 85 3HD2 LEU 85 0.223 5.918 7.741 648 HD22 LEU 85 1HD2 LEU 85 -0.948 4.699 7.202 649 HD23 LEU 85 2HD2 LEU 85 -1.486 6.349 7.579 650 H PHE 86 H PHE 86 -0.318 6.600 1.844 651 HA PHE 86 HA PHE 86 0.936 9.298 1.874 652 HB2 PHE 86 2HB PHE 86 -0.919 7.939 -0.113 653 HB3 PHE 86 3HB PHE 86 -0.431 9.619 -0.212 654 HD1 PHE 86 HD2 PHE 86 0.923 6.120 -0.252 655 HD2 PHE 86 HD1 PHE 86 1.573 10.247 -1.317 656 HE1 PHE 86 HE2 PHE 86 2.875 5.465 -1.634 657 HE2 PHE 86 HE1 PHE 86 3.555 9.587 -2.655 658 HZ PHE 86 HZ PHE 86 4.206 7.192 -2.818 659 H LYS 87 H LYS 87 -0.289 11.130 2.204 660 HA LYS 87 HA LYS 87 -3.170 10.847 2.963 661 HB2 LYS 87 2HB LYS 87 -1.586 11.070 4.954 662 HB3 LYS 87 3HB LYS 87 -1.197 12.694 4.364 663 HG2 LYS 87 2HG LYS 87 -3.667 13.246 4.506 664 HG3 LYS 87 3HG LYS 87 -3.937 11.623 5.169 665 HD2 LYS 87 2HD LYS 87 -2.294 12.215 7.026 666 HD3 LYS 87 3HD LYS 87 -2.299 13.877 6.404 667 HE2 LYS 87 2HE LYS 87 -4.782 13.944 6.708 668 HE3 LYS 87 3HE LYS 87 -4.728 12.289 7.357 669 HZ1 LYS 87 3HZ LYS 87 -3.408 13.047 9.178 670 HZ2 LYS 87 1HZ LYS 87 -4.740 14.014 9.103 671 HZ3 LYS 87 2HZ LYS 87 -3.288 14.574 8.606 672 H ASP 88 H ASP 88 -4.351 11.978 1.578 673 HA ASP 88 HA ASP 88 -4.913 13.296 -0.178 674 HB2 ASP 88 2HB ASP 88 -3.468 15.416 1.448 675 HB3 ASP 88 3HB ASP 88 -4.601 15.728 0.133 676 H GLY 89 H GLY 89 -2.651 11.749 -0.751 677 HA2 GLY 89 2HA GLY 89 -1.297 11.442 -2.537 678 HA3 GLY 89 3HA GLY 89 -1.683 13.059 -3.123 679 H GLN 90 H GLN 90 -0.272 12.984 0.081 680 HA GLN 90 HA GLN 90 2.477 13.025 -1.058 681 HB2 GLN 90 2HB GLN 90 3.206 14.608 0.646 682 HB3 GLN 90 3HB GLN 90 2.041 15.293 -0.482 683 HG2 GLN 90 2HG GLN 90 0.259 15.171 1.174 684 HG3 GLN 90 3HG GLN 90 1.306 14.310 2.312 685 HE21 GLN 90 1HE2 GLN 90 3.198 15.524 3.223 686 HE22 GLN 90 2HE2 GLN 90 3.083 17.277 3.299 687 HA PRO 91 HA PRO 91 3.083 9.615 1.674 688 HB2 PRO 91 2HB PRO 91 5.807 9.439 1.789 689 HB3 PRO 91 3HB PRO 91 4.851 9.040 0.324 690 HG2 PRO 91 2HG PRO 91 6.295 11.627 0.983 691 HG3 PRO 91 3HG PRO 91 6.338 10.692 -0.546 692 HD2 PRO 91 2HD PRO 91 4.710 12.854 -0.209 693 HD3 PRO 91 3HD PRO 91 4.196 11.437 -1.170 694 H VAL 92 H VAL 92 3.207 9.207 3.833 695 HA VAL 92 HA VAL 92 4.373 11.307 5.638 696 HB VAL 92 HB VAL 92 2.030 9.523 6.364 697 HG11 VAL 92 1HG1 VAL 92 1.686 11.303 8.083 698 HG12 VAL 92 2HG1 VAL 92 3.244 10.499 8.268 699 HG13 VAL 92 3HG1 VAL 92 3.159 12.113 7.525 700 HG21 VAL 92 3HG2 VAL 92 0.608 11.560 6.013 701 HG22 VAL 92 1HG2 VAL 92 1.984 12.355 5.219 702 HG23 VAL 92 2HG2 VAL 92 1.243 10.905 4.503 703 H LYS 93 H LYS 93 3.841 7.778 5.315 704 HA LYS 93 HA LYS 93 6.082 7.245 7.229 705 HB2 LYS 93 2HB LYS 93 4.032 7.379 8.565 706 HB3 LYS 93 3HB LYS 93 3.200 6.298 7.450 707 HG2 LYS 93 2HG LYS 93 4.889 4.483 8.083 708 HG3 LYS 93 3HG LYS 93 5.474 5.567 9.352 709 HD2 LYS 93 2HD LYS 93 2.568 4.708 9.002 710 HD3 LYS 93 3HD LYS 93 3.715 3.790 9.967 711 HE2 LYS 93 2HE LYS 93 3.265 6.742 10.534 712 HE3 LYS 93 3HE LYS 93 2.101 5.538 11.091 713 HZ1 LYS 93 3HZ LYS 93 4.984 5.462 11.774 714 HZ2 LYS 93 1HZ LYS 93 3.832 4.405 12.290 715 HZ3 LYS 93 2HZ LYS 93 3.795 5.997 12.766 716 H ARG 94 H ARG 94 7.314 5.571 6.650 717 HA ARG 94 HA ARG 94 6.280 3.524 4.724 718 HB2 ARG 94 2HB ARG 94 8.172 4.988 3.905 719 HB3 ARG 94 3HB ARG 94 9.194 4.279 5.157 720 HG2 ARG 94 2HG ARG 94 8.852 2.025 4.185 721 HG3 ARG 94 3HG ARG 94 7.759 2.691 2.967 722 HD2 ARG 94 2HD ARG 94 10.704 3.421 3.269 723 HD3 ARG 94 3HD ARG 94 10.056 2.220 2.143 724 HE ARG 94 HE ARG 94 8.886 4.916 1.926 725 HH11 ARG 94 1HH1 ARG 94 11.420 2.840 0.619 726 HH12 ARG 94 2HH1 ARG 94 11.458 3.761 -0.877 727 HH21 ARG 94 1HH2 ARG 94 9.121 6.038 0.004 728 HH22 ARG 94 2HH2 ARG 94 10.270 5.435 -1.177 729 H ILE 95 H ILE 95 6.451 1.440 5.177 730 HA ILE 95 HA ILE 95 7.867 0.432 7.580 731 HB ILE 95 HB ILE 95 5.684 -1.170 7.651 732 HG12 ILE 95 2HG1 ILE 95 4.343 1.529 7.303 733 HG13 ILE 95 3HG1 ILE 95 4.545 0.443 5.936 734 HG21 ILE 95 1HG2 ILE 95 6.766 -0.122 9.552 735 HG22 ILE 95 2HG2 ILE 95 6.036 1.450 9.148 736 HG23 ILE 95 3HG2 ILE 95 5.014 0.095 9.668 737 HD11 ILE 95 3HD1 ILE 95 3.282 -1.326 7.062 738 HD12 ILE 95 1HD1 ILE 95 3.069 -0.285 8.482 739 HD13 ILE 95 2HD1 ILE 95 2.333 0.169 6.936 740 H VAL 96 H VAL 96 8.551 -1.714 7.439 741 HA VAL 96 HA VAL 96 8.119 -3.142 4.866 742 HB VAL 96 HB VAL 96 10.199 -1.996 4.545 743 HG11 VAL 96 1HG1 VAL 96 11.230 -3.320 7.092 744 HG12 VAL 96 2HG1 VAL 96 12.183 -2.361 5.942 745 HG13 VAL 96 3HG1 VAL 96 10.903 -1.585 6.876 746 HG21 VAL 96 3HG2 VAL 96 10.039 -4.284 3.659 747 HG22 VAL 96 1HG2 VAL 96 11.696 -3.828 4.084 748 HG23 VAL 96 2HG2 VAL 96 10.794 -4.917 5.146 749 H GLY 97 H GLY 97 7.960 -5.282 4.970 750 HA2 GLY 97 2HA GLY 97 8.093 -7.459 5.895 751 HA3 GLY 97 3HA GLY 97 8.469 -6.798 7.482 752 H ALA 98 H ALA 98 6.696 -8.742 7.481 753 HA ALA 98 HA ALA 98 4.000 -7.910 6.922 754 HB1 ALA 98 3HB ALA 98 4.694 -10.224 6.590 755 HB2 ALA 98 1HB ALA 98 5.066 -10.397 8.322 756 HB3 ALA 98 2HB ALA 98 3.390 -10.161 7.783 757 H LYS 99 H LYS 99 2.259 -7.618 8.239 758 HA LYS 99 HA LYS 99 2.608 -7.055 11.145 759 HB2 LYS 99 2HB LYS 99 1.452 -5.129 9.076 760 HB3 LYS 99 3HB LYS 99 1.412 -4.883 10.823 761 HG2 LYS 99 2HG LYS 99 3.884 -4.779 10.902 762 HG3 LYS 99 3HG LYS 99 3.965 -5.120 9.173 763 HD2 LYS 99 2HD LYS 99 4.269 -2.845 9.246 764 HD3 LYS 99 3HD LYS 99 2.603 -3.052 8.743 765 HE2 LYS 99 2HE LYS 99 2.542 -1.281 10.285 766 HE3 LYS 99 3HE LYS 99 1.887 -2.655 11.167 767 HZ1 LYS 99 3HZ LYS 99 3.950 -2.837 12.374 768 HZ2 LYS 99 1HZ LYS 99 3.599 -1.224 12.358 769 HZ3 LYS 99 2HZ LYS 99 4.738 -1.819 11.368 770 H GLY 100 H GLY 100 0.540 -6.840 12.274 771 HA2 GLY 100 2HA GLY 100 -1.692 -8.433 11.115 772 HA3 GLY 100 3HA GLY 100 -1.470 -8.014 12.811 773 H LYS 101 H LYS 101 -3.903 -7.575 11.679 774 HA LYS 101 HA LYS 101 -4.382 -5.034 10.482 775 HB2 LYS 101 2HB LYS 101 -6.188 -6.544 12.429 776 HB3 LYS 101 3HB LYS 101 -6.682 -5.237 11.348 777 HG2 LYS 101 2HG LYS 101 -5.940 -6.722 9.410 778 HG3 LYS 101 3HG LYS 101 -5.836 -8.044 10.587 779 HD2 LYS 101 2HD LYS 101 -8.280 -6.421 9.782 780 HD3 LYS 101 3HD LYS 101 -7.944 -8.128 9.449 781 HE2 LYS 101 2HE LYS 101 -8.098 -8.641 11.867 782 HE3 LYS 101 3HE LYS 101 -8.460 -6.938 12.206 783 HZ1 LYS 101 3HZ LYS 101 -10.110 -8.710 10.481 784 HZ2 LYS 101 1HZ LYS 101 -10.466 -7.149 10.837 785 HZ3 LYS 101 2HZ LYS 101 -10.491 -8.283 12.022 786 H ALA 102 H ALA 102 -3.989 -5.843 13.884 787 HA ALA 102 HA ALA 102 -4.913 -3.306 14.914 788 HB1 ALA 102 3HB ALA 102 -3.923 -4.093 17.032 789 HB2 ALA 102 1HB ALA 102 -4.876 -5.372 16.254 790 HB3 ALA 102 2HB ALA 102 -3.098 -5.412 16.175 791 H ALA 103 H ALA 103 -1.639 -4.546 14.143 792 HA ALA 103 HA ALA 103 -0.231 -2.163 14.934 793 HB1 ALA 103 3HB ALA 103 1.644 -3.202 13.719 794 HB2 ALA 103 1HB ALA 103 0.832 -4.377 14.767 795 HB3 ALA 103 2HB ALA 103 0.538 -4.405 13.013 796 H LEU 104 H LEU 104 -1.445 -3.309 11.734 797 HA LEU 104 HA LEU 104 -0.526 -1.057 10.216 798 HB2 LEU 104 2HB LEU 104 -1.250 -3.382 9.466 799 HB3 LEU 104 3HB LEU 104 -2.918 -2.845 9.656 800 HG LEU 104 HG LEU 104 -2.555 -1.100 7.939 801 HD11 LEU 104 1HD1 LEU 104 0.279 -2.244 7.828 802 HD12 LEU 104 2HD1 LEU 104 -0.191 -0.555 8.163 803 HD13 LEU 104 3HD1 LEU 104 -0.420 -1.226 6.557 804 HD21 LEU 104 3HD2 LEU 104 -1.584 -3.870 7.092 805 HD22 LEU 104 1HD2 LEU 104 -2.263 -2.646 6.007 806 HD23 LEU 104 2HD2 LEU 104 -3.283 -3.366 7.258 807 H LEU 105 H LEU 105 -3.666 -1.608 11.882 808 HA LEU 105 HA LEU 105 -4.788 0.938 11.197 809 HB2 LEU 105 2HB LEU 105 -6.092 -1.005 11.950 810 HB3 LEU 105 3HB LEU 105 -5.310 -0.930 13.529 811 HG LEU 105 HG LEU 105 -6.390 1.232 14.002 812 HD11 LEU 105 1HD1 LEU 105 -6.596 2.199 11.767 813 HD12 LEU 105 2HD1 LEU 105 -8.197 2.066 12.487 814 HD13 LEU 105 3HD1 LEU 105 -7.678 0.883 11.258 815 HD21 LEU 105 3HD2 LEU 105 -8.681 0.419 14.199 816 HD22 LEU 105 1HD2 LEU 105 -7.542 -0.885 14.563 817 HD23 LEU 105 2HD2 LEU 105 -8.366 -0.855 12.988 818 H ARG 106 H ARG 106 -2.638 -0.053 13.923 819 HA ARG 106 HA ARG 106 -2.738 2.528 15.200 820 HB2 ARG 106 2HB ARG 106 -2.009 0.538 16.410 821 HB3 ARG 106 3HB ARG 106 -0.638 0.329 15.323 822 HG2 ARG 106 2HG ARG 106 0.092 1.283 17.438 823 HG3 ARG 106 3HG ARG 106 0.378 2.411 16.120 824 HD2 ARG 106 2HD ARG 106 -1.816 3.578 16.804 825 HD3 ARG 106 3HD ARG 106 -1.837 2.520 18.211 826 HE ARG 106 HE ARG 106 -0.066 3.735 19.151 827 HH11 ARG 106 2HH1 ARG 106 -0.492 4.865 15.817 828 HH12 ARG 106 1HH1 ARG 106 0.627 6.197 16.104 829 HH21 ARG 106 1HH2 ARG 106 1.319 5.514 19.324 830 HH22 ARG 106 2HH2 ARG 106 1.555 6.537 17.927 831 H GLU 107 H GLU 107 -0.554 1.265 12.646 832 HA GLU 107 HA GLU 107 1.002 3.686 12.397 833 HB2 GLU 107 2HB GLU 107 0.115 1.908 10.087 834 HB3 GLU 107 3HB GLU 107 1.446 3.027 10.104 835 HG2 GLU 107 2HG GLU 107 1.220 0.369 11.376 836 HG3 GLU 107 3HG GLU 107 2.350 0.918 10.171 837 H LEU 108 H LEU 108 -2.131 2.712 10.986 838 HA LEU 108 HA LEU 108 -2.442 5.057 9.417 839 HB2 LEU 108 2HB LEU 108 -3.668 2.834 9.182 840 HB3 LEU 108 3HB LEU 108 -4.588 3.263 10.619 841 HG LEU 108 HG LEU 108 -5.426 5.312 9.456 842 HD11 LEU 108 1HD1 LEU 108 -3.728 5.661 7.738 843 HD12 LEU 108 2HD1 LEU 108 -5.285 5.378 6.972 844 HD13 LEU 108 3HD1 LEU 108 -4.078 4.071 7.018 845 HD21 LEU 108 3HD2 LEU 108 -6.737 3.245 9.570 846 HD22 LEU 108 1HD2 LEU 108 -5.988 2.675 8.062 847 HD23 LEU 108 2HD2 LEU 108 -7.024 4.131 8.071 848 H SER 109 H SER 109 -3.571 4.354 12.772 849 HA SER 109 HA SER 109 -4.739 6.985 13.077 850 HB2 SER 109 2HB SER 109 -5.084 6.436 15.371 851 HB3 SER 109 3HB SER 109 -5.500 5.029 14.380 852 HG SER 109 HG SER 109 -4.245 4.518 16.252 853 H ASP 110 H ASP 110 -1.455 5.849 13.287 854 HA ASP 110 HA ASP 110 -0.388 8.105 14.705 855 HB2 ASP 110 2HB ASP 110 0.669 5.790 13.682 856 HB3 ASP 110 3HB ASP 110 1.167 6.920 12.435 857 H VAL 111 H VAL 111 -1.834 7.941 11.592 858 HA VAL 111 HA VAL 111 -0.649 10.533 10.663 859 HB VAL 111 HB VAL 111 -1.533 8.056 9.138 860 HG11 VAL 111 1HG1 VAL 111 -2.143 9.928 7.745 861 HG12 VAL 111 2HG1 VAL 111 -0.594 10.743 8.067 862 HG13 VAL 111 3HG1 VAL 111 -0.653 9.251 7.101 863 HG21 VAL 111 3HG2 VAL 111 1.184 9.381 9.558 864 HG22 VAL 111 1HG2 VAL 111 0.680 7.767 10.096 865 HG23 VAL 111 2HG2 VAL 111 0.888 8.093 8.375 866 H VAL 112 H VAL 112 -3.586 8.677 11.163 867 HA VAL 112 HA VAL 112 -5.284 10.963 10.250 868 HB VAL 112 HB VAL 112 -5.971 8.007 10.126 869 HG11 VAL 112 1HG1 VAL 112 -7.258 10.480 8.871 870 HG12 VAL 112 2HG1 VAL 112 -7.784 8.798 8.649 871 HG13 VAL 112 3HG1 VAL 112 -7.920 9.555 10.237 872 HG21 VAL 112 3HG2 VAL 112 -5.688 8.208 7.683 873 HG22 VAL 112 1HG2 VAL 112 -4.993 9.834 7.892 874 HG23 VAL 112 2HG2 VAL 112 -4.161 8.394 8.528 875 HA PRO 113 HA PRO 113 -5.164 12.625 11.527 876 HB2 PRO 113 2HB PRO 113 -5.157 14.221 13.691 877 HB3 PRO 113 3HB PRO 113 -6.686 13.750 12.887 878 HG2 PRO 113 2HG PRO 113 -5.414 12.490 15.345 879 HG3 PRO 113 3HG PRO 113 -7.105 13.052 15.142 880 HD2 PRO 113 2HD PRO 113 -6.345 10.434 14.768 881 HD3 PRO 113 3HD PRO 113 -7.669 11.189 13.836 882 H ASN 114 H ASN 114 -3.144 13.800 11.779 883 HA ASN 114 HA ASN 114 -0.968 12.141 12.852 884 HB2 ASN 114 2HB ASN 114 0.478 13.714 11.614 885 HB3 ASN 114 3HB ASN 114 -0.765 12.998 10.601 886 HD21 ASN 114 1HD2 ASN 114 0.541 16.021 11.808 887 HD22 ASN 114 2HD2 ASN 114 -0.680 17.021 11.024 888 H LEU 115 H LEU 115 -2.720 14.841 13.984 889 HA LEU 115 HA LEU 115 -2.662 16.222 15.716 890 HB2 LEU 115 2HB LEU 115 -2.427 14.115 16.888 891 HB3 LEU 115 3HB LEU 115 -0.677 14.262 16.915 892 HG LEU 115 HG LEU 115 -2.374 16.461 18.135 893 HD11 LEU 115 1HD1 LEU 115 -1.632 13.831 19.485 894 HD12 LEU 115 2HD1 LEU 115 -3.273 14.370 19.064 895 HD13 LEU 115 3HD1 LEU 115 -2.346 15.251 20.286 896 HD21 LEU 115 3HD2 LEU 115 -0.467 16.613 19.715 897 HD22 LEU 115 1HD2 LEU 115 0.100 16.806 18.059 898 HD23 LEU 115 2HD2 LEU 115 0.337 15.259 18.893 899 H ASN 116 H ASN 116 0.666 15.549 14.679 900 HA ASN 116 HA ASN 116 1.342 18.450 14.933 901 HB2 ASN 116 2HB ASN 116 2.410 17.119 16.749 902 HB3 ASN 116 3HB ASN 116 3.121 16.045 15.544 903 HD21 ASN 116 1HD2 ASN 116 3.031 19.503 16.529 904 HD22 ASN 116 2HD2 ASN 116 4.692 19.816 16.044 Start of MODEL 6 1 H1 MET 1 1H MET 1 -14.699 -10.866 -10.142 2 HA MET 1 HA MET 1 -14.097 -10.278 -7.997 3 HB2 MET 1 2HB MET 1 -13.979 -13.267 -7.413 4 HB3 MET 1 3HB MET 1 -13.267 -12.026 -6.384 5 HG2 MET 1 2HG MET 1 -15.357 -12.511 -5.423 6 HG3 MET 1 3HG MET 1 -15.487 -10.927 -6.166 7 HE1 MET 1 3HE MET 1 -15.875 -14.686 -7.587 8 HE2 MET 1 1HE MET 1 -16.718 -14.598 -6.023 9 HE3 MET 1 2HE MET 1 -17.646 -14.800 -7.525 10 H THR 2 H THR 2 -12.009 -9.746 -7.513 11 HA THR 2 HA THR 2 -9.706 -11.203 -8.635 12 HB THR 2 HB THR 2 -8.709 -9.364 -9.753 13 HG1 THR 2 HG1 THR 2 -9.812 -7.364 -9.954 14 HG21 THR 2 3HG2 THR 2 -10.107 -8.878 -11.647 15 HG22 THR 2 1HG2 THR 2 -11.578 -9.313 -10.754 16 HG23 THR 2 2HG2 THR 2 -10.373 -10.560 -11.165 17 H ASP 3 H ASP 3 -7.610 -9.781 -7.906 18 HA ASP 3 HA ASP 3 -7.739 -9.542 -5.054 19 HB2 ASP 3 2HB ASP 3 -5.468 -8.925 -5.116 20 HB3 ASP 3 3HB ASP 3 -5.705 -10.170 -6.330 21 H SER 4 H SER 4 -8.854 -7.312 -7.366 22 HA SER 4 HA SER 4 -9.239 -5.308 -5.216 23 HB2 SER 4 2HB SER 4 -8.236 -4.674 -8.012 24 HB3 SER 4 3HB SER 4 -8.953 -3.466 -6.934 25 HG SER 4 HG SER 4 -7.383 -4.121 -5.347 26 H GLU 5 H GLU 5 -10.893 -7.451 -6.446 27 HA GLU 5 HA GLU 5 -13.350 -5.807 -6.645 28 HB2 GLU 5 2HB GLU 5 -12.725 -6.315 -8.992 29 HB3 GLU 5 3HB GLU 5 -12.711 -8.032 -8.619 30 HG2 GLU 5 2HG GLU 5 -15.138 -7.798 -7.962 31 HG3 GLU 5 3HG GLU 5 -15.061 -6.154 -8.586 32 H LYS 6 H LYS 6 -13.538 -6.374 -4.528 33 HA LYS 6 HA LYS 6 -13.613 -7.485 -2.583 34 HB2 LYS 6 2HB LYS 6 -15.735 -8.411 -3.319 35 HB3 LYS 6 3HB LYS 6 -14.917 -9.736 -4.131 36 HG2 LYS 6 2HG LYS 6 -15.920 -10.366 -1.954 37 HG3 LYS 6 3HG LYS 6 -14.205 -10.715 -2.068 38 HD2 LYS 6 2HD LYS 6 -14.835 -9.890 0.147 39 HD3 LYS 6 3HD LYS 6 -13.650 -8.835 -0.613 40 HE2 LYS 6 2HE LYS 6 -15.449 -7.230 -1.224 41 HE3 LYS 6 3HE LYS 6 -16.661 -8.330 -0.560 42 HZ1 LYS 6 3HZ LYS 6 -16.085 -6.598 1.030 43 HZ2 LYS 6 1HZ LYS 6 -14.507 -7.023 1.053 44 HZ3 LYS 6 2HZ LYS 6 -15.645 -8.048 1.627 45 H SER 7 H SER 7 -10.381 -8.793 -2.722 46 HA SER 7 HA SER 7 -11.892 -7.271 -0.988 47 HB2 SER 7 2HB SER 7 -9.894 -6.263 -0.341 48 HB3 SER 7 3HB SER 7 -9.443 -7.866 -0.929 49 HG SER 7 HG SER 7 -8.659 -6.930 -2.818 50 H ALA 8 H ALA 8 -11.977 -4.996 -0.585 51 HA ALA 8 HA ALA 8 -12.748 -3.378 -2.910 52 HB1 ALA 8 3HB ALA 8 -14.197 -3.485 -0.939 53 HB2 ALA 8 1HB ALA 8 -12.890 -2.832 0.071 54 HB3 ALA 8 2HB ALA 8 -13.610 -1.836 -1.211 55 H THR 9 H THR 9 -9.847 -4.077 -2.577 56 HA THR 9 HA THR 9 -8.501 -1.516 -2.007 57 HB THR 9 HB THR 9 -6.490 -2.615 -2.938 58 HG1 THR 9 HG1 THR 9 -7.928 -5.004 -3.063 59 HG21 THR 9 3HG2 THR 9 -7.908 -4.296 -0.855 60 HG22 THR 9 1HG2 THR 9 -6.771 -2.954 -0.602 61 HG23 THR 9 2HG2 THR 9 -6.207 -4.458 -1.324 62 H ILE 10 H ILE 10 -6.989 -0.683 -3.745 63 HA ILE 10 HA ILE 10 -8.033 -1.030 -6.523 64 HB ILE 10 HB ILE 10 -7.187 1.132 -7.155 65 HG12 ILE 10 2HG1 ILE 10 -6.504 1.577 -4.215 66 HG13 ILE 10 3HG1 ILE 10 -5.354 1.362 -5.543 67 HG21 ILE 10 1HG2 ILE 10 -9.035 1.437 -4.754 68 HG22 ILE 10 2HG2 ILE 10 -8.943 2.475 -6.193 69 HG23 ILE 10 3HG2 ILE 10 -9.543 0.822 -6.342 70 HD11 ILE 10 3HD1 ILE 10 -7.242 3.708 -5.149 71 HD12 ILE 10 1HD1 ILE 10 -5.474 3.703 -5.069 72 HD13 ILE 10 2HD1 ILE 10 -6.286 3.430 -6.624 73 H LYS 11 H LYS 11 -6.352 -0.871 -8.192 74 HA LYS 11 HA LYS 11 -3.685 -1.919 -7.340 75 HB2 LYS 11 2HB LYS 11 -5.402 -3.634 -8.222 76 HB3 LYS 11 3HB LYS 11 -5.188 -2.876 -9.800 77 HG2 LYS 11 2HG LYS 11 -2.747 -3.428 -9.698 78 HG3 LYS 11 3HG LYS 11 -2.995 -4.132 -8.083 79 HD2 LYS 11 2HD LYS 11 -4.710 -5.707 -9.126 80 HD3 LYS 11 3HD LYS 11 -4.257 -5.063 -10.704 81 HE2 LYS 11 2HE LYS 11 -3.127 -7.147 -10.382 82 HE3 LYS 11 3HE LYS 11 -1.913 -5.860 -10.333 83 HZ1 LYS 11 3HZ LYS 11 -1.803 -6.068 -7.968 84 HZ2 LYS 11 1HZ LYS 11 -1.665 -7.545 -8.554 85 HZ3 LYS 11 2HZ LYS 11 -3.124 -7.076 -7.895 86 H VAL 12 H VAL 12 -1.983 -0.894 -8.253 87 HA VAL 12 HA VAL 12 -2.571 1.228 -10.291 88 HB VAL 12 HB VAL 12 -1.003 2.696 -9.036 89 HG11 VAL 12 1HG1 VAL 12 -3.479 1.835 -7.483 90 HG12 VAL 12 2HG1 VAL 12 -2.655 3.402 -7.396 91 HG13 VAL 12 3HG1 VAL 12 -3.464 2.911 -8.893 92 HG21 VAL 12 3HG2 VAL 12 -0.487 2.317 -6.721 93 HG22 VAL 12 1HG2 VAL 12 -1.418 0.812 -6.678 94 HG23 VAL 12 2HG2 VAL 12 0.085 0.896 -7.614 95 H THR 13 H THR 13 -0.881 2.093 -11.483 96 HA THR 13 HA THR 13 1.641 0.569 -11.799 97 HB THR 13 HB THR 13 1.370 0.688 -14.281 98 HG1 THR 13 HG1 THR 13 -0.728 0.987 -15.081 99 HG21 THR 13 3HG2 THR 13 0.858 -1.423 -13.048 100 HG22 THR 13 1HG2 THR 13 -0.073 -1.237 -14.544 101 HG23 THR 13 2HG2 THR 13 -0.851 -0.937 -12.975 102 H ASP 14 H ASP 14 3.215 1.830 -13.186 103 HA ASP 14 HA ASP 14 3.606 4.228 -11.839 104 HB2 ASP 14 2HB ASP 14 5.293 2.691 -13.070 105 HB3 ASP 14 3HB ASP 14 4.922 3.624 -14.509 106 H ALA 15 H ALA 15 2.113 3.893 -15.033 107 HA ALA 15 HA ALA 15 2.134 6.737 -15.642 108 HB1 ALA 15 3HB ALA 15 0.556 4.423 -16.846 109 HB2 ALA 15 1HB ALA 15 0.751 6.041 -17.553 110 HB3 ALA 15 2HB ALA 15 2.162 4.981 -17.377 111 H SER 16 H SER 16 0.054 4.731 -13.715 112 HA SER 16 HA SER 16 -2.204 6.687 -13.805 113 HB2 SER 16 2HB SER 16 -2.157 3.778 -12.948 114 HB3 SER 16 3HB SER 16 -3.578 4.844 -12.977 115 HG SER 16 HG SER 16 -3.372 3.522 -14.875 116 H PHE 17 H PHE 17 0.255 5.472 -11.674 117 HA PHE 17 HA PHE 17 -0.870 5.485 -9.174 118 HB2 PHE 17 2HB PHE 17 1.490 4.891 -9.954 119 HB3 PHE 17 3HB PHE 17 1.892 6.591 -9.834 120 HD1 PHE 17 HD2 PHE 17 1.634 7.725 -7.481 121 HD2 PHE 17 HD1 PHE 17 1.589 3.458 -8.115 122 HE1 PHE 17 HE2 PHE 17 2.175 7.359 -5.087 123 HE2 PHE 17 HE1 PHE 17 2.225 3.104 -5.754 124 HZ PHE 17 HZ PHE 17 2.498 5.058 -4.223 125 H ALA 18 H ALA 18 0.349 8.400 -10.892 126 HA ALA 18 HA ALA 18 -0.093 10.171 -8.712 127 HB1 ALA 18 3HB ALA 18 0.063 10.749 -11.697 128 HB2 ALA 18 1HB ALA 18 0.228 11.944 -10.390 129 HB3 ALA 18 2HB ALA 18 1.437 10.659 -10.564 130 H THR 19 H THR 19 -2.276 8.995 -11.219 131 HA THR 19 HA THR 19 -4.420 10.907 -10.591 132 HB THR 19 HB THR 19 -4.548 8.437 -12.361 133 HG1 THR 19 HG1 THR 19 -3.953 9.817 -14.042 134 HG21 THR 19 3HG2 THR 19 -6.079 11.080 -12.393 135 HG22 THR 19 1HG2 THR 19 -6.742 9.475 -12.009 136 HG23 THR 19 2HG2 THR 19 -6.191 9.822 -13.647 137 H ASP 20 H ASP 20 -3.502 7.665 -9.599 138 HA ASP 20 HA ASP 20 -6.134 7.172 -8.323 139 HB2 ASP 20 2HB ASP 20 -3.647 5.507 -8.770 140 HB3 ASP 20 3HB ASP 20 -4.943 4.982 -7.706 141 H VAL 21 H VAL 21 -2.749 7.656 -7.255 142 HA VAL 21 HA VAL 21 -3.619 7.506 -4.400 143 HB VAL 21 HB VAL 21 -0.821 7.423 -5.581 144 HG11 VAL 21 1HG1 VAL 21 -1.802 6.830 -2.759 145 HG12 VAL 21 2HG1 VAL 21 -0.150 6.599 -3.364 146 HG13 VAL 21 3HG1 VAL 21 -0.815 8.224 -3.247 147 HG21 VAL 21 3HG2 VAL 21 -2.059 5.410 -6.237 148 HG22 VAL 21 1HG2 VAL 21 -0.869 5.015 -5.002 149 HG23 VAL 21 2HG2 VAL 21 -2.585 5.156 -4.556 150 H LEU 22 H LEU 22 -1.519 9.553 -6.485 151 HA LEU 22 HA LEU 22 -1.205 11.508 -4.382 152 HB2 LEU 22 2HB LEU 22 -0.417 11.848 -7.271 153 HB3 LEU 22 3HB LEU 22 0.196 12.725 -5.879 154 HG LEU 22 HG LEU 22 0.623 9.759 -6.424 155 HD11 LEU 22 1HD1 LEU 22 2.953 10.384 -6.821 156 HD12 LEU 22 2HD1 LEU 22 2.570 12.094 -6.517 157 HD13 LEU 22 3HD1 LEU 22 1.887 11.263 -7.929 158 HD21 LEU 22 3HD2 LEU 22 1.811 11.483 -4.217 159 HD22 LEU 22 1HD2 LEU 22 2.235 9.800 -4.582 160 HD23 LEU 22 2HD2 LEU 22 0.619 10.182 -3.985 161 H SER 23 H SER 23 -3.694 11.096 -6.627 162 HA SER 23 HA SER 23 -4.651 13.832 -6.818 163 HB2 SER 23 2HB SER 23 -6.617 12.727 -7.814 164 HB3 SER 23 3HB SER 23 -5.104 12.121 -8.516 165 HG SER 23 HG SER 23 -6.324 10.342 -8.010 166 H SER 24 H SER 24 -4.761 11.475 -4.307 167 HA SER 24 HA SER 24 -7.471 11.510 -3.650 168 HB2 SER 24 2HB SER 24 -5.828 9.750 -3.080 169 HB3 SER 24 3HB SER 24 -5.201 10.795 -1.782 170 HG SER 24 HG SER 24 -6.826 9.341 -1.049 171 H ASN 25 H ASN 25 -8.700 12.264 -2.004 172 HA ASN 25 HA ASN 25 -7.743 14.536 -0.331 173 HB2 ASN 25 2HB ASN 25 -10.000 15.355 -0.253 174 HB3 ASN 25 3HB ASN 25 -9.515 15.177 -1.934 175 HD21 ASN 25 1HD2 ASN 25 -12.151 15.447 -1.507 176 HD22 ASN 25 2HD2 ASN 25 -12.966 13.901 -1.704 177 H LYS 26 H LYS 26 -7.537 11.572 0.018 178 HA LYS 26 HA LYS 26 -8.566 11.291 2.802 179 HB2 LYS 26 2HB LYS 26 -10.003 10.154 0.960 180 HB3 LYS 26 3HB LYS 26 -8.611 9.113 0.665 181 HG2 LYS 26 2HG LYS 26 -8.782 8.484 3.170 182 HG3 LYS 26 3HG LYS 26 -10.358 9.283 3.150 183 HD2 LYS 26 2HD LYS 26 -9.408 6.901 1.518 184 HD3 LYS 26 3HD LYS 26 -10.556 6.865 2.864 185 HE2 LYS 26 2HE LYS 26 -12.195 8.130 1.521 186 HE3 LYS 26 3HE LYS 26 -11.038 8.217 0.180 187 HZ1 LYS 26 3HZ LYS 26 -11.043 5.771 0.119 188 HZ2 LYS 26 1HZ LYS 26 -12.553 6.360 -0.145 189 HZ3 LYS 26 2HZ LYS 26 -12.166 5.707 1.310 190 HA PRO 27 HA PRO 27 -4.381 9.458 3.292 191 HB2 PRO 27 2HB PRO 27 -5.832 7.586 5.156 192 HB3 PRO 27 3HB PRO 27 -4.231 8.364 5.366 193 HG2 PRO 27 2HG PRO 27 -6.400 9.379 6.626 194 HG3 PRO 27 3HG PRO 27 -5.245 10.486 5.814 195 HD2 PRO 27 2HD PRO 27 -7.918 9.493 4.817 196 HD3 PRO 27 3HD PRO 27 -7.231 11.139 4.738 197 H VAL 28 H VAL 28 -3.321 7.760 2.303 198 HA VAL 28 HA VAL 28 -4.921 5.510 1.192 199 HB VAL 28 HB VAL 28 -2.938 7.058 -0.505 200 HG11 VAL 28 1HG1 VAL 28 -3.053 4.673 -1.102 201 HG12 VAL 28 2HG1 VAL 28 -4.827 4.745 -1.139 202 HG13 VAL 28 3HG1 VAL 28 -3.870 5.635 -2.334 203 HG21 VAL 28 3HG2 VAL 28 -5.980 7.028 -0.611 204 HG22 VAL 28 1HG2 VAL 28 -4.926 8.424 -0.276 205 HG23 VAL 28 2HG2 VAL 28 -4.917 7.686 -1.878 206 H LEU 29 H LEU 29 -4.035 3.629 1.671 207 HA LEU 29 HA LEU 29 -1.177 3.410 2.455 208 HB2 LEU 29 2HB LEU 29 -3.379 2.298 3.603 209 HB3 LEU 29 3HB LEU 29 -3.157 1.125 2.346 210 HG LEU 29 HG LEU 29 -2.196 0.356 4.382 211 HD11 LEU 29 1HD1 LEU 29 -0.030 -0.331 3.701 212 HD12 LEU 29 2HD1 LEU 29 0.187 1.064 2.642 213 HD13 LEU 29 3HD1 LEU 29 -1.000 -0.205 2.229 214 HD21 LEU 29 3HD2 LEU 29 -0.345 2.774 4.357 215 HD22 LEU 29 1HD2 LEU 29 -0.272 1.422 5.488 216 HD23 LEU 29 2HD2 LEU 29 -1.689 2.481 5.487 217 H VAL 30 H VAL 30 0.309 2.633 0.968 218 HA VAL 30 HA VAL 30 -0.724 1.018 -1.333 219 HB VAL 30 HB VAL 30 1.777 2.706 -1.478 220 HG11 VAL 30 1HG1 VAL 30 1.706 0.725 -2.966 221 HG12 VAL 30 2HG1 VAL 30 0.125 1.248 -3.590 222 HG13 VAL 30 3HG1 VAL 30 1.581 2.220 -3.878 223 HG21 VAL 30 3HG2 VAL 30 0.541 4.204 -2.998 224 HG22 VAL 30 1HG2 VAL 30 -0.968 3.363 -2.624 225 HG23 VAL 30 2HG2 VAL 30 -0.118 4.265 -1.362 226 H ASP 31 H ASP 31 -0.027 -1.019 -1.348 227 HA ASP 31 HA ASP 31 2.461 -1.725 0.159 228 HB2 ASP 31 2HB ASP 31 0.418 -2.947 0.806 229 HB3 ASP 31 3HB ASP 31 0.255 -3.539 -0.848 230 H PHE 32 H PHE 32 4.239 -2.118 -0.914 231 HA PHE 32 HA PHE 32 4.233 -2.584 -3.861 232 HB2 PHE 32 2HB PHE 32 6.359 -1.686 -1.890 233 HB3 PHE 32 3HB PHE 32 6.726 -2.210 -3.523 234 HD1 PHE 32 HD1 PHE 32 4.612 0.307 -1.653 235 HD2 PHE 32 HD2 PHE 32 6.683 -0.693 -5.303 236 HE1 PHE 32 HE1 PHE 32 4.145 2.575 -2.551 237 HE2 PHE 32 HE2 PHE 32 6.262 1.585 -6.159 238 HZ PHE 32 HZ PHE 32 4.977 3.227 -4.796 239 H TRP 33 H TRP 33 4.179 -4.646 -4.442 240 HA TRP 33 HA TRP 33 5.599 -6.729 -2.887 241 HB2 TRP 33 2HB TRP 33 3.722 -7.921 -2.300 242 HB3 TRP 33 3HB TRP 33 3.340 -6.280 -1.838 243 HD1 TRP 33 HD1 TRP 33 2.440 -5.951 -5.229 244 HE1 TRP 33 HE1 TRP 33 0.130 -6.764 -5.854 245 HE3 TRP 33 HE3 TRP 33 1.384 -8.498 -0.938 246 HZ2 TRP 33 HZ2 TRP 33 -1.895 -8.557 -4.689 247 HZ3 TRP 33 HZ3 TRP 33 -0.793 -9.630 -0.660 248 HH2 TRP 33 HH2 TRP 33 -2.443 -9.677 -2.516 249 H ALA 34 H ALA 34 5.123 -8.983 -3.813 250 HA ALA 34 HA ALA 34 4.826 -8.946 -6.777 251 HB1 ALA 34 3HB ALA 34 6.898 -10.525 -5.190 252 HB2 ALA 34 1HB ALA 34 6.642 -10.577 -6.942 253 HB3 ALA 34 2HB ALA 34 7.227 -9.091 -6.182 254 H THR 35 H THR 35 4.542 -11.332 -7.571 255 HA THR 35 HA THR 35 2.130 -12.370 -6.330 256 HB THR 35 HB THR 35 2.296 -14.074 -8.173 257 HG1 THR 35 HG1 THR 35 3.901 -13.698 -9.725 258 HG21 THR 35 3HG2 THR 35 2.622 -11.180 -9.093 259 HG22 THR 35 1HG2 THR 35 1.111 -11.910 -8.509 260 HG23 THR 35 2HG2 THR 35 1.863 -12.508 -9.997 261 H TRP 36 H TRP 36 5.472 -13.136 -5.970 262 HA TRP 36 HA TRP 36 4.952 -15.908 -5.042 263 HB2 TRP 36 2HB TRP 36 7.437 -16.104 -5.631 264 HB3 TRP 36 3HB TRP 36 6.283 -15.889 -6.928 265 HD1 TRP 36 HD1 TRP 36 6.702 -14.061 -8.602 266 HE1 TRP 36 HE1 TRP 36 8.290 -12.066 -8.865 267 HE3 TRP 36 HE3 TRP 36 8.891 -14.165 -3.959 268 HZ2 TRP 36 HZ2 TRP 36 10.157 -10.611 -7.214 269 HZ3 TRP 36 HZ3 TRP 36 10.535 -12.418 -3.319 270 HH2 TRP 36 HH2 TRP 36 11.168 -10.635 -4.927 271 H CYS 37 H CYS 37 5.627 -12.966 -3.491 272 HA CYS 37 HA CYS 37 7.671 -13.989 -1.697 273 HB2 CYS 37 2HB CYS 37 7.219 -11.683 -0.575 274 HB3 CYS 37 3HB CYS 37 8.082 -11.842 -2.089 275 H GLY 38 H GLY 38 7.518 -14.975 0.168 276 HA2 GLY 38 2HA GLY 38 5.177 -15.945 1.358 277 HA3 GLY 38 3HA GLY 38 6.736 -15.792 2.169 278 HA PRO 39 HA PRO 39 5.169 -12.617 4.775 279 HB2 PRO 39 2HB PRO 39 6.754 -10.359 4.605 280 HB3 PRO 39 3HB PRO 39 7.237 -11.885 5.403 281 HG2 PRO 39 2HG PRO 39 7.871 -10.967 2.587 282 HG3 PRO 39 3HG PRO 39 8.991 -11.640 3.815 283 HD2 PRO 39 2HD PRO 39 7.957 -13.189 1.863 284 HD3 PRO 39 3HD PRO 39 8.123 -13.833 3.522 285 H CYS 40 H CYS 40 5.470 -11.495 1.411 286 HA CYS 40 HA CYS 40 3.596 -9.308 1.807 287 HB2 CYS 40 2HB CYS 40 3.818 -8.815 -0.381 288 HB3 CYS 40 3HB CYS 40 5.396 -9.456 0.036 289 H LYS 41 H LYS 41 3.293 -12.729 0.801 290 HA LYS 41 HA LYS 41 0.376 -12.618 0.533 291 HB2 LYS 41 2HB LYS 41 2.498 -14.735 0.520 292 HB3 LYS 41 3HB LYS 41 0.891 -15.222 1.013 293 HG2 LYS 41 2HG LYS 41 1.257 -15.615 -1.346 294 HG3 LYS 41 3HG LYS 41 -0.103 -14.552 -1.056 295 HD2 LYS 41 2HD LYS 41 2.630 -13.510 -1.928 296 HD3 LYS 41 3HD LYS 41 1.396 -14.077 -3.053 297 HE2 LYS 41 2HE LYS 41 -0.215 -12.412 -1.928 298 HE3 LYS 41 3HE LYS 41 1.216 -11.689 -1.187 299 HZ1 LYS 41 3HZ LYS 41 0.698 -11.936 -4.097 300 HZ2 LYS 41 1HZ LYS 41 2.090 -11.327 -3.481 301 HZ3 LYS 41 2HZ LYS 41 0.667 -10.557 -3.224 302 H MET 42 H MET 42 2.522 -13.157 3.338 303 HA MET 42 HA MET 42 0.361 -13.813 5.116 304 HB2 MET 42 2HB MET 42 3.057 -12.545 5.715 305 HB3 MET 42 3HB MET 42 1.880 -13.021 6.940 306 HG2 MET 42 2HG MET 42 1.880 -15.343 5.914 307 HG3 MET 42 3HG MET 42 3.299 -14.862 4.995 308 HE1 MET 42 3HE MET 42 5.706 -14.424 6.077 309 HE2 MET 42 1HE MET 42 5.021 -13.105 7.064 310 HE3 MET 42 2HE MET 42 6.002 -14.372 7.826 311 H VAL 43 H VAL 43 1.442 -10.575 4.001 312 HA VAL 43 HA VAL 43 -0.565 -9.301 5.751 313 HB VAL 43 HB VAL 43 0.127 -7.185 4.839 314 HG11 VAL 43 1HG1 VAL 43 2.499 -8.872 5.695 315 HG12 VAL 43 2HG1 VAL 43 2.325 -7.104 5.838 316 HG13 VAL 43 3HG1 VAL 43 1.273 -8.180 6.782 317 HG21 VAL 43 3HG2 VAL 43 2.037 -6.924 3.370 318 HG22 VAL 43 1HG2 VAL 43 2.223 -8.681 3.256 319 HG23 VAL 43 2HG2 VAL 43 0.806 -7.887 2.541 320 H ALA 44 H ALA 44 -0.820 -10.862 2.768 321 HA ALA 44 HA ALA 44 -2.605 -9.235 1.353 322 HB1 ALA 44 3HB ALA 44 -3.315 -11.234 0.216 323 HB2 ALA 44 1HB ALA 44 -1.571 -11.335 0.511 324 HB3 ALA 44 2HB ALA 44 -2.693 -12.271 1.508 325 HA PRO 45 HA PRO 45 -6.418 -10.982 3.734 326 HB2 PRO 45 2HB PRO 45 -6.057 -11.944 6.302 327 HB3 PRO 45 3HB PRO 45 -6.117 -12.969 4.836 328 HG2 PRO 45 2HG PRO 45 -3.658 -11.897 6.258 329 HG3 PRO 45 3HG PRO 45 -3.984 -13.578 5.718 330 HD2 PRO 45 2HD PRO 45 -2.487 -11.946 4.218 331 HD3 PRO 45 3HD PRO 45 -3.699 -12.995 3.434 332 H VAL 46 H VAL 46 -3.704 -9.542 5.556 333 HA VAL 46 HA VAL 46 -5.327 -7.876 7.266 334 HB VAL 46 HB VAL 46 -2.394 -7.751 6.457 335 HG11 VAL 46 1HG1 VAL 46 -2.910 -5.522 7.071 336 HG12 VAL 46 2HG1 VAL 46 -3.937 -6.047 8.418 337 HG13 VAL 46 3HG1 VAL 46 -2.161 -6.252 8.490 338 HG21 VAL 46 3HG2 VAL 46 -3.033 -9.718 7.816 339 HG22 VAL 46 1HG2 VAL 46 -2.018 -8.605 8.733 340 HG23 VAL 46 2HG2 VAL 46 -3.773 -8.647 9.024 341 H LEU 47 H LEU 47 -3.557 -7.102 4.212 342 HA LEU 47 HA LEU 47 -4.539 -4.382 4.138 343 HB2 LEU 47 2HB LEU 47 -3.377 -4.174 2.110 344 HB3 LEU 47 3HB LEU 47 -2.434 -5.224 3.133 345 HG LEU 47 HG LEU 47 -3.585 -7.160 1.774 346 HD11 LEU 47 1HD1 LEU 47 -4.042 -6.606 -0.553 347 HD12 LEU 47 2HD1 LEU 47 -3.723 -4.879 -0.250 348 HD13 LEU 47 3HD1 LEU 47 -5.143 -5.671 0.449 349 HD21 LEU 47 3HD2 LEU 47 -1.457 -5.362 0.562 350 HD22 LEU 47 1HD2 LEU 47 -1.762 -7.055 0.119 351 HD23 LEU 47 2HD2 LEU 47 -1.188 -6.659 1.742 352 H GLU 48 H GLU 48 -5.780 -7.424 2.697 353 HA GLU 48 HA GLU 48 -7.929 -6.145 1.253 354 HB2 GLU 48 2HB GLU 48 -7.551 -8.992 2.266 355 HB3 GLU 48 3HB GLU 48 -8.894 -8.469 1.255 356 HG2 GLU 48 2HG GLU 48 -7.283 -7.755 -0.520 357 HG3 GLU 48 3HG GLU 48 -5.950 -8.299 0.450 358 H GLU 49 H GLU 49 -7.746 -7.478 4.595 359 HA GLU 49 HA GLU 49 -10.518 -6.978 5.206 360 HB2 GLU 49 2HB GLU 49 -8.063 -7.443 6.920 361 HB3 GLU 49 3HB GLU 49 -9.620 -7.003 7.621 362 HG2 GLU 49 2HG GLU 49 -10.730 -8.910 6.667 363 HG3 GLU 49 3HG GLU 49 -9.318 -9.367 5.729 364 H ILE 50 H ILE 50 -7.571 -4.905 5.875 365 HA ILE 50 HA ILE 50 -9.155 -2.761 6.966 366 HB ILE 50 HB ILE 50 -6.512 -2.779 5.508 367 HG12 ILE 50 2HG1 ILE 50 -6.459 -3.901 7.685 368 HG13 ILE 50 3HG1 ILE 50 -5.487 -2.441 7.698 369 HG21 ILE 50 1HG2 ILE 50 -7.787 -0.400 6.912 370 HG22 ILE 50 2HG2 ILE 50 -6.079 -0.490 6.435 371 HG23 ILE 50 3HG2 ILE 50 -7.342 -0.518 5.207 372 HD11 ILE 50 3HD1 ILE 50 -7.294 -1.240 8.941 373 HD12 ILE 50 1HD1 ILE 50 -8.228 -2.756 8.989 374 HD13 ILE 50 2HD1 ILE 50 -6.660 -2.634 9.801 375 H ALA 51 H ALA 51 -8.306 -3.501 3.537 376 HA ALA 51 HA ALA 51 -9.527 -1.200 2.415 377 HB1 ALA 51 3HB ALA 51 -9.454 -3.995 1.207 378 HB2 ALA 51 1HB ALA 51 -9.498 -2.432 0.362 379 HB3 ALA 51 2HB ALA 51 -8.059 -2.910 1.279 380 H THR 52 H THR 52 -11.018 -4.350 3.369 381 HA THR 52 HA THR 52 -13.664 -3.600 2.386 382 HB THR 52 HB THR 52 -12.646 -5.829 4.179 383 HG1 THR 52 HG1 THR 52 -12.110 -6.143 2.108 384 HG21 THR 52 3HG2 THR 52 -14.955 -5.508 4.850 385 HG22 THR 52 1HG2 THR 52 -14.854 -6.918 3.800 386 HG23 THR 52 2HG2 THR 52 -15.476 -5.372 3.156 387 H GLU 53 H GLU 53 -12.012 -3.433 5.570 388 HA GLU 53 HA GLU 53 -14.555 -2.809 6.910 389 HB2 GLU 53 2HB GLU 53 -11.732 -3.163 7.986 390 HB3 GLU 53 3HB GLU 53 -13.184 -2.910 8.959 391 HG2 GLU 53 2HG GLU 53 -14.169 -4.969 7.777 392 HG3 GLU 53 3HG GLU 53 -12.570 -5.325 7.206 393 H ARG 54 H ARG 54 -11.653 -0.969 6.044 394 HA ARG 54 HA ARG 54 -12.670 1.402 7.579 395 HB2 ARG 54 2HB ARG 54 -9.796 0.762 6.882 396 HB3 ARG 54 3HB ARG 54 -10.376 2.029 7.953 397 HG2 ARG 54 2HG ARG 54 -10.400 -0.962 8.460 398 HG3 ARG 54 3HG ARG 54 -9.416 0.254 9.256 399 HD2 ARG 54 2HD ARG 54 -12.437 -0.040 9.509 400 HD3 ARG 54 3HD ARG 54 -11.235 -0.545 10.684 401 HE ARG 54 HE ARG 54 -11.636 2.342 9.883 402 HH11 ARG 54 1HH2 ARG 54 -11.306 0.038 12.533 403 HH12 ARG 54 2HH2 ARG 54 -11.447 1.310 13.715 404 HH21 ARG 54 1HH1 ARG 54 -11.827 3.781 11.337 405 HH22 ARG 54 2HH1 ARG 54 -11.711 3.432 13.064 406 H ALA 55 H ALA 55 -13.150 0.651 4.655 407 HA ALA 55 HA ALA 55 -11.790 2.244 2.859 408 HB1 ALA 55 3HB ALA 55 -13.496 0.546 2.299 409 HB2 ALA 55 1HB ALA 55 -14.776 1.621 2.901 410 HB3 ALA 55 2HB ALA 55 -13.821 2.079 1.475 411 H THR 56 H THR 56 -14.192 3.426 5.179 412 HA THR 56 HA THR 56 -14.484 6.073 3.967 413 HB THR 56 HB THR 56 -15.732 6.533 6.120 414 HG1 THR 56 HG1 THR 56 -16.194 4.731 7.393 415 HG21 THR 56 3HG2 THR 56 -17.662 5.141 5.549 416 HG22 THR 56 1HG2 THR 56 -16.639 4.060 4.574 417 HG23 THR 56 2HG2 THR 56 -16.895 5.745 4.071 418 H ASP 57 H ASP 57 -12.189 4.644 6.151 419 HA ASP 57 HA ASP 57 -11.280 7.287 7.202 420 HB2 ASP 57 2HB ASP 57 -10.342 4.452 7.783 421 HB3 ASP 57 3HB ASP 57 -9.700 5.911 8.520 422 H LEU 58 H LEU 58 -10.136 4.509 5.239 423 HA LEU 58 HA LEU 58 -8.330 6.245 3.752 424 HB2 LEU 58 2HB LEU 58 -6.291 5.223 4.231 425 HB3 LEU 58 3HB LEU 58 -7.032 5.665 5.737 426 HG LEU 58 HG LEU 58 -5.853 3.693 6.072 427 HD11 LEU 58 1HD1 LEU 58 -8.724 2.758 5.857 428 HD12 LEU 58 2HD1 LEU 58 -8.072 3.746 7.187 429 HD13 LEU 58 3HD1 LEU 58 -7.452 2.110 6.910 430 HD21 LEU 58 3HD2 LEU 58 -5.970 1.666 4.905 431 HD22 LEU 58 1HD2 LEU 58 -5.741 2.939 3.699 432 HD23 LEU 58 2HD2 LEU 58 -7.342 2.192 3.922 433 H THR 59 H THR 59 -7.421 5.308 1.868 434 HA THR 59 HA THR 59 -8.932 2.942 0.795 435 HB THR 59 HB THR 59 -7.320 5.054 -0.677 436 HG1 THR 59 HG1 THR 59 -9.340 5.688 -1.418 437 HG21 THR 59 3HG2 THR 59 -7.299 2.948 -1.944 438 HG22 THR 59 1HG2 THR 59 -8.402 4.090 -2.711 439 HG23 THR 59 2HG2 THR 59 -9.056 2.768 -1.720 440 H VAL 60 H VAL 60 -7.802 1.067 0.246 441 HA VAL 60 HA VAL 60 -4.834 1.084 0.680 442 HB VAL 60 HB VAL 60 -6.728 -1.240 0.835 443 HG11 VAL 60 1HG1 VAL 60 -4.796 -2.515 1.671 444 HG12 VAL 60 2HG1 VAL 60 -4.509 -1.972 0.022 445 HG13 VAL 60 3HG1 VAL 60 -3.731 -1.122 1.377 446 HG21 VAL 60 3HG2 VAL 60 -6.986 0.133 2.804 447 HG22 VAL 60 1HG2 VAL 60 -6.122 -1.348 3.218 448 HG23 VAL 60 2HG2 VAL 60 -5.222 0.174 3.047 449 H ALA 61 H ALA 61 -3.549 0.691 -0.947 450 HA ALA 61 HA ALA 61 -4.621 -0.204 -3.568 451 HB1 ALA 61 3HB ALA 61 -4.185 2.247 -3.423 452 HB2 ALA 61 1HB ALA 61 -2.515 1.892 -2.962 453 HB3 ALA 61 2HB ALA 61 -3.093 1.441 -4.576 454 H LYS 62 H LYS 62 -3.202 -1.376 -4.920 455 HA LYS 62 HA LYS 62 -0.698 -2.463 -3.639 456 HB2 LYS 62 2HB LYS 62 -2.768 -3.879 -5.351 457 HB3 LYS 62 3HB LYS 62 -1.166 -4.533 -4.972 458 HG2 LYS 62 2HG LYS 62 -1.639 -4.389 -2.560 459 HG3 LYS 62 3HG LYS 62 -3.265 -3.774 -2.875 460 HD2 LYS 62 2HD LYS 62 -2.542 -6.327 -4.264 461 HD3 LYS 62 3HD LYS 62 -2.611 -6.400 -2.504 462 HE2 LYS 62 2HE LYS 62 -4.751 -7.044 -3.265 463 HE3 LYS 62 3HE LYS 62 -4.926 -5.422 -2.596 464 HZ1 LYS 62 3HZ LYS 62 -6.088 -5.685 -4.677 465 HZ2 LYS 62 1HZ LYS 62 -4.738 -6.102 -5.489 466 HZ3 LYS 62 2HZ LYS 62 -4.926 -4.565 -4.887 467 H LEU 63 H LEU 63 1.107 -2.318 -4.652 468 HA LEU 63 HA LEU 63 1.169 -1.741 -7.582 469 HB2 LEU 63 2HB LEU 63 1.963 0.160 -6.182 470 HB3 LEU 63 3HB LEU 63 3.193 -0.871 -5.484 471 HG LEU 63 HG LEU 63 4.024 0.651 -7.204 472 HD11 LEU 63 1HD1 LEU 63 5.066 -1.657 -6.832 473 HD12 LEU 63 2HD1 LEU 63 5.538 -0.752 -8.279 474 HD13 LEU 63 3HD1 LEU 63 4.391 -2.080 -8.418 475 HD21 LEU 63 3HD2 LEU 63 2.055 0.720 -8.678 476 HD22 LEU 63 1HD2 LEU 63 2.466 -0.908 -9.273 477 HD23 LEU 63 2HD2 LEU 63 3.559 0.458 -9.542 478 H ASP 64 H ASP 64 1.992 -3.275 -8.729 479 HA ASP 64 HA ASP 64 3.073 -5.699 -7.364 480 HB2 ASP 64 2HB ASP 64 1.587 -5.294 -9.961 481 HB3 ASP 64 3HB ASP 64 2.489 -6.766 -9.603 482 H VAL 65 H VAL 65 5.232 -5.343 -7.152 483 HA VAL 65 HA VAL 65 6.796 -3.861 -9.020 484 HB VAL 65 HB VAL 65 8.678 -4.294 -7.677 485 HG11 VAL 65 1HG1 VAL 65 6.317 -4.257 -5.767 486 HG12 VAL 65 2HG1 VAL 65 7.962 -3.673 -5.459 487 HG13 VAL 65 3HG1 VAL 65 6.948 -2.858 -6.657 488 HG21 VAL 65 3HG2 VAL 65 7.209 -6.620 -6.390 489 HG22 VAL 65 1HG2 VAL 65 8.664 -6.705 -7.400 490 HG23 VAL 65 2HG2 VAL 65 8.735 -5.926 -5.819 491 H ASP 66 H ASP 66 5.967 -7.199 -9.027 492 HA ASP 66 HA ASP 66 8.185 -8.191 -10.604 493 HB2 ASP 66 2HB ASP 66 6.708 -9.508 -9.044 494 HB3 ASP 66 3HB ASP 66 5.401 -9.363 -10.218 495 H THR 67 H THR 67 4.997 -6.827 -11.413 496 HA THR 67 HA THR 67 5.485 -7.232 -14.337 497 HB THR 67 HB THR 67 3.075 -6.761 -14.597 498 HG1 THR 67 HG1 THR 67 1.794 -6.763 -12.746 499 HG21 THR 67 3HG2 THR 67 3.883 -9.107 -14.369 500 HG22 THR 67 1HG2 THR 67 2.243 -8.884 -13.739 501 HG23 THR 67 2HG2 THR 67 3.612 -9.018 -12.615 502 H ASN 68 H ASN 68 5.186 -4.765 -11.894 503 HA ASN 68 HA ASN 68 5.793 -2.664 -13.936 504 HB2 ASN 68 2HB ASN 68 3.459 -2.528 -13.147 505 HB3 ASN 68 3HB ASN 68 4.005 -2.480 -11.475 506 HD21 ASN 68 1HD2 ASN 68 5.506 -0.645 -10.950 507 HD22 ASN 68 2HD2 ASN 68 4.951 0.933 -11.538 508 HA PRO 69 HA PRO 69 9.202 -2.956 -10.826 509 HB2 PRO 69 2HB PRO 69 10.957 -2.610 -13.222 510 HB3 PRO 69 3HB PRO 69 11.067 -3.811 -11.898 511 HG2 PRO 69 2HG PRO 69 10.211 -4.535 -14.374 512 HG3 PRO 69 3HG PRO 69 9.412 -5.192 -12.905 513 HD2 PRO 69 2HD PRO 69 8.544 -2.822 -14.598 514 HD3 PRO 69 3HD PRO 69 7.595 -4.243 -14.084 515 H GLU 70 H GLU 70 8.223 -0.541 -13.056 516 HA GLU 70 HA GLU 70 10.346 1.363 -12.689 517 HB2 GLU 70 2HB GLU 70 7.521 1.685 -13.768 518 HB3 GLU 70 3HB GLU 70 8.787 2.918 -13.843 519 HG2 GLU 70 2HG GLU 70 10.224 1.320 -15.109 520 HG3 GLU 70 3HG GLU 70 8.886 0.171 -15.135 521 H THR 71 H THR 71 7.099 1.109 -11.129 522 HA THR 71 HA THR 71 7.434 3.562 -9.674 523 HB THR 71 HB THR 71 5.587 1.404 -8.866 524 HG1 THR 71 HG1 THR 71 5.411 3.368 -10.873 525 HG21 THR 71 3HG2 THR 71 5.554 3.340 -7.358 526 HG22 THR 71 1HG2 THR 71 4.089 3.313 -8.337 527 HG23 THR 71 2HG2 THR 71 5.399 4.441 -8.744 528 H ALA 72 H ALA 72 8.356 0.241 -8.932 529 HA ALA 72 HA ALA 72 8.902 0.549 -6.143 530 HB1 ALA 72 3HB ALA 72 10.263 -1.234 -8.218 531 HB2 ALA 72 1HB ALA 72 10.275 -1.460 -6.456 532 HB3 ALA 72 2HB ALA 72 8.758 -1.616 -7.361 533 H ARG 73 H ARG 73 10.951 1.177 -9.026 534 HA ARG 73 HA ARG 73 13.090 2.336 -7.354 535 HB2 ARG 73 2HB ARG 73 14.340 2.642 -9.377 536 HB3 ARG 73 3HB ARG 73 13.710 1.004 -9.248 537 HG2 ARG 73 2HG ARG 73 11.804 1.783 -10.807 538 HG3 ARG 73 3HG ARG 73 12.778 3.234 -11.099 539 HD2 ARG 73 2HD ARG 73 13.265 1.712 -12.865 540 HD3 ARG 73 3HD ARG 73 14.658 1.620 -11.770 541 HE ARG 73 HE ARG 73 12.469 -0.323 -11.295 542 HH11 ARG 73 1HH2 ARG 73 15.492 0.089 -13.025 543 HH12 ARG 73 2HH2 ARG 73 15.803 -1.625 -13.065 544 HH21 ARG 73 2HH1 ARG 73 12.979 -2.463 -11.287 545 HH22 ARG 73 1HH1 ARG 73 14.390 -3.037 -12.129 546 H ASN 74 H ASN 74 10.315 3.607 -9.087 547 HA ASN 74 HA ASN 74 10.960 6.353 -9.090 548 HB2 ASN 74 2HB ASN 74 8.849 5.009 -9.974 549 HB3 ASN 74 3HB ASN 74 8.186 5.329 -8.385 550 HD21 ASN 74 1HD2 ASN 74 7.000 6.199 -10.801 551 HD22 ASN 74 2HD2 ASN 74 7.076 7.959 -10.770 552 H PHE 75 H PHE 75 9.485 4.401 -6.465 553 HA PHE 75 HA PHE 75 9.934 6.584 -4.500 554 HB2 PHE 75 2HB PHE 75 8.296 4.041 -4.409 555 HB3 PHE 75 3HB PHE 75 8.553 5.074 -3.010 556 HD1 PHE 75 HD1 PHE 75 7.673 7.386 -2.905 557 HD2 PHE 75 HD2 PHE 75 6.807 4.782 -6.220 558 HE1 PHE 75 HE1 PHE 75 5.839 8.903 -3.616 559 HE2 PHE 75 HE2 PHE 75 4.955 6.288 -6.924 560 HZ PHE 75 HZ PHE 75 4.483 8.359 -5.631 561 H GLN 76 H GLN 76 11.954 4.341 -5.631 562 HA GLN 76 HA GLN 76 13.664 3.084 -4.865 563 HB2 GLN 76 2HB GLN 76 14.342 5.490 -4.520 564 HB3 GLN 76 3HB GLN 76 13.952 5.307 -2.812 565 HG2 GLN 76 2HG GLN 76 16.337 5.042 -3.128 566 HG3 GLN 76 3HG GLN 76 15.679 3.485 -2.646 567 HE21 GLN 76 1HE2 GLN 76 16.900 5.361 -5.468 568 HE22 GLN 76 2HE2 GLN 76 17.272 3.932 -6.422 569 H VAL 77 H VAL 77 11.820 1.604 -4.207 570 HA VAL 77 HA VAL 77 11.373 1.000 -1.409 571 HB VAL 77 HB VAL 77 10.913 -0.606 -3.959 572 HG11 VAL 77 1HG1 VAL 77 11.072 -2.218 -2.139 573 HG12 VAL 77 2HG1 VAL 77 10.025 -1.210 -1.111 574 HG13 VAL 77 3HG1 VAL 77 9.377 -2.004 -2.562 575 HG21 VAL 77 3HG2 VAL 77 8.558 -0.020 -3.562 576 HG22 VAL 77 1HG2 VAL 77 8.999 0.905 -2.115 577 HG23 VAL 77 2HG2 VAL 77 9.520 1.447 -3.725 578 H VAL 78 H VAL 78 12.399 -0.236 -0.057 579 HA VAL 78 HA VAL 78 15.029 -1.386 -0.876 580 HB VAL 78 HB VAL 78 15.729 -0.978 1.426 581 HG11 VAL 78 1HG1 VAL 78 15.922 1.432 1.292 582 HG12 VAL 78 2HG1 VAL 78 16.098 0.729 -0.325 583 HG13 VAL 78 3HG1 VAL 78 14.579 1.522 0.139 584 HG21 VAL 78 3HG2 VAL 78 13.047 0.417 1.837 585 HG22 VAL 78 1HG2 VAL 78 13.549 -1.111 2.594 586 HG23 VAL 78 2HG2 VAL 78 14.413 0.383 2.965 587 H SER 79 H SER 79 11.988 -2.478 0.256 588 HA SER 79 HA SER 79 13.073 -5.188 0.682 589 HB2 SER 79 2HB SER 79 12.995 -3.979 2.930 590 HB3 SER 79 3HB SER 79 11.229 -3.945 2.746 591 HG SER 79 HG SER 79 12.108 -5.802 3.924 592 H ILE 80 H ILE 80 11.238 -6.778 0.951 593 HA ILE 80 HA ILE 80 8.685 -5.935 -0.305 594 HB ILE 80 HB ILE 80 10.366 -8.251 -1.269 595 HG12 ILE 80 2HG1 ILE 80 9.235 -5.856 -2.781 596 HG13 ILE 80 3HG1 ILE 80 10.909 -6.022 -2.252 597 HG21 ILE 80 1HG2 ILE 80 7.998 -8.968 -1.049 598 HG22 ILE 80 2HG2 ILE 80 7.477 -7.535 -1.963 599 HG23 ILE 80 3HG2 ILE 80 8.430 -8.819 -2.737 600 HD11 ILE 80 3HD1 ILE 80 11.144 -8.079 -3.654 601 HD12 ILE 80 1HD1 ILE 80 9.533 -7.745 -4.334 602 HD13 ILE 80 2HD1 ILE 80 10.846 -6.585 -4.561 603 HA PRO 81 HA PRO 81 6.588 -6.123 0.133 604 HB2 PRO 81 2HB PRO 81 4.782 -5.679 2.105 605 HB3 PRO 81 3HB PRO 81 4.769 -7.173 1.125 606 HG2 PRO 81 2HG PRO 81 6.024 -6.736 3.857 607 HG3 PRO 81 3HG PRO 81 4.909 -8.051 3.368 608 HD2 PRO 81 2HD PRO 81 7.615 -8.389 3.377 609 HD3 PRO 81 3HD PRO 81 6.599 -9.124 2.104 610 H THR 82 H THR 82 6.258 -3.879 0.371 611 HA THR 82 HA THR 82 7.286 -2.522 2.819 612 HB THR 82 HB THR 82 7.911 -1.636 -0.018 613 HG1 THR 82 HG1 THR 82 9.496 -2.919 0.683 614 HG21 THR 82 3HG2 THR 82 7.302 0.360 1.265 615 HG22 THR 82 1HG2 THR 82 9.064 0.278 1.094 616 HG23 THR 82 2HG2 THR 82 8.306 -0.185 2.635 617 H LEU 83 H LEU 83 5.723 -1.433 3.713 618 HA LEU 83 HA LEU 83 3.288 -0.679 2.160 619 HB2 LEU 83 2HB LEU 83 3.698 -1.195 5.140 620 HB3 LEU 83 3HB LEU 83 2.235 -0.567 4.404 621 HG LEU 83 HG LEU 83 2.173 -2.726 2.984 622 HD11 LEU 83 1HD1 LEU 83 4.086 -3.633 5.196 623 HD12 LEU 83 2HD1 LEU 83 4.392 -3.680 3.446 624 HD13 LEU 83 3HD1 LEU 83 3.166 -4.724 4.138 625 HD21 LEU 83 3HD2 LEU 83 1.048 -3.962 4.800 626 HD22 LEU 83 1HD2 LEU 83 0.617 -2.252 4.834 627 HD23 LEU 83 2HD2 LEU 83 1.794 -2.886 6.003 628 H ILE 84 H ILE 84 2.932 1.441 1.813 629 HA ILE 84 HA ILE 84 4.253 3.447 3.580 630 HB ILE 84 HB ILE 84 5.503 3.124 1.505 631 HG12 ILE 84 2HG1 ILE 84 5.424 5.300 2.792 632 HG13 ILE 84 3HG1 ILE 84 6.097 5.296 1.181 633 HG21 ILE 84 1HG2 ILE 84 3.823 2.558 -0.096 634 HG22 ILE 84 2HG2 ILE 84 3.059 4.150 0.055 635 HG23 ILE 84 3HG2 ILE 84 4.686 4.004 -0.642 636 HD11 ILE 84 3HD1 ILE 84 4.657 7.282 1.785 637 HD12 ILE 84 1HD1 ILE 84 4.282 6.478 0.254 638 HD13 ILE 84 2HD1 ILE 84 3.246 6.221 1.668 639 H LEU 85 H LEU 85 3.068 5.057 4.304 640 HA LEU 85 HA LEU 85 0.203 5.178 3.487 641 HB2 LEU 85 2HB LEU 85 0.628 4.538 5.806 642 HB3 LEU 85 3HB LEU 85 1.595 5.988 6.059 643 HG LEU 85 HG LEU 85 -0.376 7.419 5.779 644 HD11 LEU 85 1HD1 LEU 85 -1.733 6.145 4.183 645 HD12 LEU 85 2HD1 LEU 85 -2.654 6.437 5.650 646 HD13 LEU 85 3HD1 LEU 85 -1.944 4.834 5.366 647 HD21 LEU 85 3HD2 LEU 85 -1.623 6.678 7.781 648 HD22 LEU 85 1HD2 LEU 85 0.125 6.514 8.011 649 HD23 LEU 85 2HD2 LEU 85 -0.865 5.078 7.670 650 H PHE 86 H PHE 86 -0.329 6.736 2.210 651 HA PHE 86 HA PHE 86 1.018 9.385 2.232 652 HB2 PHE 86 2HB PHE 86 -1.073 8.194 0.369 653 HB3 PHE 86 3HB PHE 86 -0.437 9.820 0.251 654 HD1 PHE 86 HD1 PHE 86 0.460 6.212 -0.084 655 HD2 PHE 86 HD2 PHE 86 1.606 10.284 -0.900 656 HE1 PHE 86 HE1 PHE 86 2.226 5.418 -1.644 657 HE2 PHE 86 HE2 PHE 86 3.408 9.482 -2.400 658 HZ PHE 86 HZ PHE 86 3.710 7.043 -2.786 659 H LYS 87 H LYS 87 -0.156 11.249 2.626 660 HA LYS 87 HA LYS 87 -3.008 11.048 3.506 661 HB2 LYS 87 2HB LYS 87 -1.532 11.432 5.466 662 HB3 LYS 87 3HB LYS 87 -0.879 12.884 4.675 663 HG2 LYS 87 2HG LYS 87 -3.280 13.746 4.581 664 HG3 LYS 87 3HG LYS 87 -3.737 12.363 5.587 665 HD2 LYS 87 2HD LYS 87 -1.971 13.206 7.252 666 HD3 LYS 87 3HD LYS 87 -1.866 14.675 6.287 667 HE2 LYS 87 2HE LYS 87 -4.445 13.557 7.487 668 HE3 LYS 87 3HE LYS 87 -3.454 14.778 8.276 669 HZ1 LYS 87 3HZ LYS 87 -3.853 16.283 6.432 670 HZ2 LYS 87 1HZ LYS 87 -5.305 15.752 6.951 671 HZ3 LYS 87 2HZ LYS 87 -4.667 15.177 5.560 672 H ASP 88 H ASP 88 -4.272 12.159 2.170 673 HA ASP 88 HA ASP 88 -4.947 13.455 0.438 674 HB2 ASP 88 2HB ASP 88 -3.309 15.527 1.934 675 HB3 ASP 88 3HB ASP 88 -4.546 15.878 0.727 676 H GLY 89 H GLY 89 -2.795 11.837 -0.341 677 HA2 GLY 89 2HA GLY 89 -1.584 11.472 -2.220 678 HA3 GLY 89 3HA GLY 89 -1.955 13.091 -2.802 679 H GLN 90 H GLN 90 -0.378 12.957 0.332 680 HA GLN 90 HA GLN 90 2.325 13.138 -0.916 681 HB2 GLN 90 2HB GLN 90 1.213 14.809 1.364 682 HB3 GLN 90 3HB GLN 90 2.917 14.757 0.922 683 HG2 GLN 90 2HG GLN 90 0.704 15.676 -0.972 684 HG3 GLN 90 3HG GLN 90 1.656 16.742 0.046 685 HE21 GLN 90 1HE2 GLN 90 1.890 14.492 -2.754 686 HE22 GLN 90 2HE2 GLN 90 3.400 15.197 -3.334 687 HA PRO 91 HA PRO 91 3.137 9.744 1.745 688 HB2 PRO 91 2HB PRO 91 5.862 9.623 1.782 689 HB3 PRO 91 3HB PRO 91 4.882 9.277 0.325 690 HG2 PRO 91 2HG PRO 91 6.254 11.883 1.059 691 HG3 PRO 91 3HG PRO 91 6.322 10.996 -0.498 692 HD2 PRO 91 2HD PRO 91 4.607 13.074 -0.109 693 HD3 PRO 91 3HD PRO 91 4.125 11.642 -1.070 694 H VAL 92 H VAL 92 3.260 9.295 3.890 695 HA VAL 92 HA VAL 92 4.300 11.402 5.766 696 HB VAL 92 HB VAL 92 2.165 9.306 6.310 697 HG11 VAL 92 1HG1 VAL 92 1.673 10.710 8.292 698 HG12 VAL 92 2HG1 VAL 92 3.309 10.061 8.361 699 HG13 VAL 92 3HG1 VAL 92 3.053 11.757 7.895 700 HG21 VAL 92 3HG2 VAL 92 1.884 12.276 5.660 701 HG22 VAL 92 1HG2 VAL 92 1.277 10.917 4.690 702 HG23 VAL 92 2HG2 VAL 92 0.587 11.234 6.285 703 H LYS 93 H LYS 93 4.024 7.846 5.370 704 HA LYS 93 HA LYS 93 6.407 7.383 7.097 705 HB2 LYS 93 2HB LYS 93 4.331 7.674 8.531 706 HB3 LYS 93 3HB LYS 93 3.616 6.295 7.693 707 HG2 LYS 93 2HG LYS 93 5.624 4.917 8.516 708 HG3 LYS 93 3HG LYS 93 6.071 6.309 9.510 709 HD2 LYS 93 2HD LYS 93 3.453 4.764 9.562 710 HD3 LYS 93 3HD LYS 93 4.745 4.589 10.746 711 HE2 LYS 93 2HE LYS 93 3.065 7.104 10.288 712 HE3 LYS 93 3HE LYS 93 2.809 5.916 11.560 713 HZ1 LYS 93 3HZ LYS 93 4.032 7.713 12.471 714 HZ2 LYS 93 1HZ LYS 93 5.184 7.677 11.300 715 HZ3 LYS 93 2HZ LYS 93 5.072 6.458 12.391 716 H ARG 94 H ARG 94 7.427 5.446 6.673 717 HA ARG 94 HA ARG 94 6.075 3.437 4.936 718 HB2 ARG 94 2HB ARG 94 7.630 4.935 3.631 719 HB3 ARG 94 3HB ARG 94 8.980 4.289 4.567 720 HG2 ARG 94 2HG ARG 94 8.634 2.059 3.675 721 HG3 ARG 94 3HG ARG 94 7.039 2.494 3.066 722 HD2 ARG 94 2HD ARG 94 8.271 2.516 1.131 723 HD3 ARG 94 3HD ARG 94 8.246 4.223 1.565 724 HE ARG 94 HE ARG 94 10.590 3.131 2.715 725 HH11 ARG 94 1HH1 ARG 94 9.317 3.657 -0.489 726 HH12 ARG 94 2HH1 ARG 94 10.889 3.885 -1.193 727 HH21 ARG 94 1HH2 ARG 94 12.618 3.253 1.695 728 HH22 ARG 94 2HH2 ARG 94 12.676 3.373 -0.052 729 H ILE 95 H ILE 95 6.314 1.385 5.440 730 HA ILE 95 HA ILE 95 8.164 0.527 7.625 731 HB ILE 95 HB ILE 95 5.221 -0.169 7.291 732 HG12 ILE 95 2HG1 ILE 95 5.483 2.066 8.285 733 HG13 ILE 95 3HG1 ILE 95 4.799 0.913 9.405 734 HG21 ILE 95 1HG2 ILE 95 5.524 -1.388 9.486 735 HG22 ILE 95 2HG2 ILE 95 6.315 -2.144 8.106 736 HG23 ILE 95 3HG2 ILE 95 7.277 -1.217 9.279 737 HD11 ILE 95 3HD1 ILE 95 7.711 1.816 9.457 738 HD12 ILE 95 1HD1 ILE 95 6.411 2.421 10.495 739 HD13 ILE 95 2HD1 ILE 95 6.923 0.732 10.623 740 H VAL 96 H VAL 96 9.021 -1.522 7.415 741 HA VAL 96 HA VAL 96 8.621 -2.904 4.794 742 HB VAL 96 HB VAL 96 10.934 -3.669 5.021 743 HG11 VAL 96 1HG1 VAL 96 12.001 -1.576 4.365 744 HG12 VAL 96 2HG1 VAL 96 10.371 -1.662 3.679 745 HG13 VAL 96 3HG1 VAL 96 10.684 -0.632 5.089 746 HG21 VAL 96 3HG2 VAL 96 11.280 -3.460 7.465 747 HG22 VAL 96 1HG2 VAL 96 12.514 -2.601 6.539 748 HG23 VAL 96 2HG2 VAL 96 11.212 -1.689 7.321 749 H GLY 97 H GLY 97 8.557 -5.138 4.684 750 HA2 GLY 97 2HA GLY 97 8.452 -7.329 5.411 751 HA3 GLY 97 3HA GLY 97 8.881 -6.835 7.044 752 H ALA 98 H ALA 98 7.145 -8.718 7.008 753 HA ALA 98 HA ALA 98 4.393 -7.903 6.682 754 HB1 ALA 98 3HB ALA 98 5.068 -10.195 6.210 755 HB2 ALA 98 1HB ALA 98 5.598 -10.427 7.894 756 HB3 ALA 98 2HB ALA 98 3.878 -10.192 7.515 757 H LYS 99 H LYS 99 2.755 -7.761 8.175 758 HA LYS 99 HA LYS 99 3.208 -7.593 11.061 759 HB2 LYS 99 2HB LYS 99 2.475 -5.234 11.214 760 HB3 LYS 99 3HB LYS 99 4.036 -5.428 10.431 761 HG2 LYS 99 2HG LYS 99 2.948 -5.175 8.185 762 HG3 LYS 99 3HG LYS 99 1.397 -4.885 8.986 763 HD2 LYS 99 2HD LYS 99 3.919 -3.226 9.436 764 HD3 LYS 99 3HD LYS 99 2.674 -2.831 8.245 765 HE2 LYS 99 2HE LYS 99 0.975 -2.632 9.992 766 HE3 LYS 99 3HE LYS 99 2.114 -3.199 11.221 767 HZ1 LYS 99 3HZ LYS 99 2.416 -0.665 9.701 768 HZ2 LYS 99 1HZ LYS 99 3.418 -1.190 10.893 769 HZ3 LYS 99 2HZ LYS 99 1.871 -0.769 11.240 770 H GLY 100 H GLY 100 1.142 -6.978 12.230 771 HA2 GLY 100 2HA GLY 100 -1.128 -8.435 11.018 772 HA3 GLY 100 3HA GLY 100 -0.906 -8.035 12.718 773 H LYS 101 H LYS 101 -3.309 -7.596 11.486 774 HA LYS 101 HA LYS 101 -3.726 -5.087 10.317 775 HB2 LYS 101 2HB LYS 101 -5.190 -7.189 10.451 776 HB3 LYS 101 3HB LYS 101 -5.671 -6.666 12.073 777 HG2 LYS 101 2HG LYS 101 -6.677 -4.629 11.144 778 HG3 LYS 101 3HG LYS 101 -5.962 -4.983 9.558 779 HD2 LYS 101 2HD LYS 101 -8.271 -5.596 9.446 780 HD3 LYS 101 3HD LYS 101 -7.296 -7.085 9.449 781 HE2 LYS 101 2HE LYS 101 -7.787 -7.476 11.799 782 HE3 LYS 101 3HE LYS 101 -8.566 -5.897 11.953 783 HZ1 LYS 101 3HZ LYS 101 -10.298 -6.669 10.411 784 HZ2 LYS 101 1HZ LYS 101 -10.194 -7.704 11.677 785 HZ3 LYS 101 2HZ LYS 101 -9.543 -8.115 10.228 786 H ALA 102 H ALA 102 -3.432 -5.840 13.713 787 HA ALA 102 HA ALA 102 -4.581 -3.385 14.729 788 HB1 ALA 102 3HB ALA 102 -3.474 -4.049 16.832 789 HB2 ALA 102 1HB ALA 102 -4.322 -5.422 16.095 790 HB3 ALA 102 2HB ALA 102 -2.550 -5.299 15.971 791 H ALA 103 H ALA 103 -1.256 -4.316 13.785 792 HA ALA 103 HA ALA 103 -0.072 -1.783 14.560 793 HB1 ALA 103 3HB ALA 103 1.930 -2.733 13.485 794 HB2 ALA 103 1HB ALA 103 1.169 -3.888 14.589 795 HB3 ALA 103 2HB ALA 103 0.950 -4.076 12.837 796 H LEU 104 H LEU 104 -1.506 -3.037 11.547 797 HA LEU 104 HA LEU 104 -0.608 -0.824 9.899 798 HB2 LEU 104 2HB LEU 104 -1.250 -3.089 9.060 799 HB3 LEU 104 3HB LEU 104 -2.927 -2.751 9.484 800 HG LEU 104 HG LEU 104 -3.013 -0.919 7.841 801 HD11 LEU 104 1HD1 LEU 104 -0.762 -0.038 7.819 802 HD12 LEU 104 2HD1 LEU 104 -1.079 -0.687 6.213 803 HD13 LEU 104 3HD1 LEU 104 -0.083 -1.615 7.347 804 HD21 LEU 104 3HD2 LEU 104 -2.828 -2.245 5.804 805 HD22 LEU 104 1HD2 LEU 104 -3.461 -3.263 7.104 806 HD23 LEU 104 2HD2 LEU 104 -1.759 -3.411 6.614 807 H LEU 105 H LEU 105 -3.675 -1.524 11.640 808 HA LEU 105 HA LEU 105 -4.869 1.024 11.070 809 HB2 LEU 105 2HB LEU 105 -6.081 -1.033 11.754 810 HB3 LEU 105 3HB LEU 105 -5.335 -0.915 13.347 811 HG LEU 105 HG LEU 105 -6.532 1.207 13.777 812 HD11 LEU 105 1HD1 LEU 105 -6.770 2.120 11.512 813 HD12 LEU 105 2HD1 LEU 105 -8.366 1.910 12.230 814 HD13 LEU 105 3HD1 LEU 105 -7.779 0.736 11.029 815 HD21 LEU 105 3HD2 LEU 105 -8.781 0.262 13.954 816 HD22 LEU 105 1HD2 LEU 105 -7.568 -0.957 14.371 817 HD23 LEU 105 2HD2 LEU 105 -8.366 -1.014 12.782 818 H ARG 106 H ARG 106 -2.622 -0.015 13.674 819 HA ARG 106 HA ARG 106 -2.739 2.472 15.107 820 HB2 ARG 106 2HB ARG 106 -1.851 0.464 16.149 821 HB3 ARG 106 3HB ARG 106 -0.559 0.363 14.949 822 HG2 ARG 106 2HG ARG 106 0.283 1.206 17.079 823 HG3 ARG 106 3HG ARG 106 0.480 2.393 15.799 824 HD2 ARG 106 2HD ARG 106 -1.673 3.517 16.671 825 HD3 ARG 106 3HD ARG 106 -1.607 2.389 18.022 826 HE ARG 106 HE ARG 106 0.173 3.587 18.935 827 HH11 ARG 106 1HH1 ARG 106 -0.295 4.807 15.636 828 HH12 ARG 106 2HH1 ARG 106 0.843 6.120 15.942 829 HH21 ARG 106 1HH2 ARG 106 1.577 5.343 19.131 830 HH22 ARG 106 2HH2 ARG 106 1.800 6.402 17.757 831 H GLU 107 H GLU 107 -0.518 1.449 12.418 832 HA GLU 107 HA GLU 107 0.773 4.032 12.435 833 HB2 GLU 107 2HB GLU 107 1.909 3.491 10.546 834 HB3 GLU 107 3HB GLU 107 1.726 1.955 11.362 835 HG2 GLU 107 2HG GLU 107 0.098 1.243 9.806 836 HG3 GLU 107 3HG GLU 107 -0.019 2.839 9.065 837 H LEU 108 H LEU 108 -2.212 2.913 10.843 838 HA LEU 108 HA LEU 108 -2.693 5.377 9.460 839 HB2 LEU 108 2HB LEU 108 -3.857 3.139 9.139 840 HB3 LEU 108 3HB LEU 108 -4.717 3.408 10.624 841 HG LEU 108 HG LEU 108 -5.908 3.867 8.436 842 HD11 LEU 108 1HD1 LEU 108 -6.016 6.169 10.405 843 HD12 LEU 108 2HD1 LEU 108 -6.793 4.587 10.635 844 HD13 LEU 108 3HD1 LEU 108 -7.273 5.627 9.288 845 HD21 LEU 108 3HD2 LEU 108 -4.383 6.505 8.520 846 HD22 LEU 108 1HD2 LEU 108 -5.697 6.085 7.433 847 HD23 LEU 108 2HD2 LEU 108 -4.157 5.210 7.318 848 H SER 109 H SER 109 -3.580 4.320 12.751 849 HA SER 109 HA SER 109 -4.960 6.703 13.542 850 HB2 SER 109 2HB SER 109 -3.513 4.656 15.266 851 HB3 SER 109 3HB SER 109 -4.666 5.871 15.836 852 HG SER 109 HG SER 109 -5.166 3.706 14.056 853 H ASP 110 H ASP 110 -1.541 6.006 13.287 854 HA ASP 110 HA ASP 110 -0.569 8.087 14.951 855 HB2 ASP 110 2HB ASP 110 0.626 6.110 13.617 856 HB3 ASP 110 3HB ASP 110 0.852 7.354 12.392 857 H VAL 111 H VAL 111 -2.231 8.416 11.896 858 HA VAL 111 HA VAL 111 -1.154 11.043 11.214 859 HB VAL 111 HB VAL 111 -3.625 9.626 10.166 860 HG11 VAL 111 1HG1 VAL 111 -2.023 11.972 9.106 861 HG12 VAL 111 2HG1 VAL 111 -3.237 11.082 8.153 862 HG13 VAL 111 3HG1 VAL 111 -3.742 11.966 9.588 863 HG21 VAL 111 3HG2 VAL 111 -1.593 8.269 9.704 864 HG22 VAL 111 1HG2 VAL 111 -2.191 9.013 8.222 865 HG23 VAL 111 2HG2 VAL 111 -0.778 9.704 9.047 866 H VAL 112 H VAL 112 -2.280 12.985 11.313 867 HA VAL 112 HA VAL 112 -4.426 13.216 13.380 868 HB VAL 112 HB VAL 112 -1.996 15.028 13.162 869 HG11 VAL 112 1HG1 VAL 112 -2.778 15.962 15.301 870 HG12 VAL 112 2HG1 VAL 112 -4.000 16.190 14.054 871 HG13 VAL 112 3HG1 VAL 112 -4.203 14.904 15.267 872 HG21 VAL 112 3HG2 VAL 112 -1.287 12.873 14.093 873 HG22 VAL 112 1HG2 VAL 112 -1.352 14.078 15.377 874 HG23 VAL 112 2HG2 VAL 112 -2.658 12.880 15.225 875 HA PRO 113 HA PRO 113 -6.170 15.751 10.076 876 HB2 PRO 113 2HB PRO 113 -8.453 16.635 11.262 877 HB3 PRO 113 3HB PRO 113 -8.208 14.921 10.810 878 HG2 PRO 113 2HG PRO 113 -7.761 16.206 13.529 879 HG3 PRO 113 3HG PRO 113 -8.713 14.733 13.149 880 HD2 PRO 113 2HD PRO 113 -6.133 14.598 14.000 881 HD3 PRO 113 3HD PRO 113 -6.764 13.458 12.777 882 H ASN 114 H ASN 114 -6.873 18.028 9.671 883 HA ASN 114 HA ASN 114 -6.109 20.079 11.603 884 HB2 ASN 114 2HB ASN 114 -4.009 19.537 10.342 885 HB3 ASN 114 3HB ASN 114 -4.814 19.968 8.832 886 HD21 ASN 114 1HD2 ASN 114 -4.135 22.032 8.183 887 HD22 ASN 114 2HD2 ASN 114 -3.765 23.310 9.340 888 H LEU 115 H LEU 115 -6.881 22.151 10.999 889 HA LEU 115 HA LEU 115 -9.425 22.100 9.642 890 HB2 LEU 115 2HB LEU 115 -9.818 24.122 10.551 891 HB3 LEU 115 3HB LEU 115 -8.771 23.400 11.744 892 HG LEU 115 HG LEU 115 -7.996 25.538 9.694 893 HD11 LEU 115 1HD1 LEU 115 -7.827 27.007 11.648 894 HD12 LEU 115 2HD1 LEU 115 -8.330 25.676 12.717 895 HD13 LEU 115 3HD1 LEU 115 -9.458 26.335 11.512 896 HD21 LEU 115 3HD2 LEU 115 -6.331 24.306 11.933 897 HD22 LEU 115 1HD2 LEU 115 -5.888 25.747 10.993 898 HD23 LEU 115 2HD2 LEU 115 -6.016 24.188 10.184 899 H ASN 116 H ASN 116 -6.353 22.512 8.380 900 HA ASN 116 HA ASN 116 -7.384 23.452 5.765 901 HB2 ASN 116 2HB ASN 116 -6.457 25.457 6.844 902 HB3 ASN 116 3HB ASN 116 -4.969 24.604 7.243 903 HD21 ASN 116 1HD2 ASN 116 -3.706 23.741 5.327 904 HD22 ASN 116 2HD2 ASN 116 -3.648 24.793 3.912 Start of MODEL 7 1 H1 MET 1 1H MET 1 -3.122 -16.649 -9.506 2 HA MET 1 HA MET 1 -4.413 -14.739 -10.111 3 HB2 MET 1 2HB MET 1 -6.514 -15.867 -9.048 4 HB3 MET 1 3HB MET 1 -6.030 -15.068 -7.558 5 HG2 MET 1 2HG MET 1 -6.344 -13.567 -10.187 6 HG3 MET 1 3HG MET 1 -7.742 -13.976 -9.215 7 HE1 MET 1 3HE MET 1 -7.274 -13.415 -6.254 8 HE2 MET 1 1HE MET 1 -7.677 -11.684 -6.182 9 HE3 MET 1 2HE MET 1 -8.619 -12.768 -7.222 10 H THR 2 H THR 2 -3.929 -12.596 -9.164 11 HA THR 2 HA THR 2 -1.399 -12.659 -7.761 12 HB THR 2 HB THR 2 -1.593 -10.170 -7.936 13 HG1 THR 2 HG1 THR 2 -3.456 -9.543 -9.308 14 HG21 THR 2 3HG2 THR 2 -2.373 -11.545 -10.546 15 HG22 THR 2 1HG2 THR 2 -0.731 -11.532 -9.869 16 HG23 THR 2 2HG2 THR 2 -1.501 -10.010 -10.349 17 H ASP 3 H ASP 3 -4.674 -12.032 -6.770 18 HA ASP 3 HA ASP 3 -5.722 -11.269 -4.961 19 HB2 ASP 3 2HB ASP 3 -3.294 -11.772 -3.245 20 HB3 ASP 3 3HB ASP 3 -4.959 -11.569 -2.726 21 H SER 4 H SER 4 -3.781 -9.543 -6.663 22 HA SER 4 HA SER 4 -3.316 -7.222 -4.936 23 HB2 SER 4 2HB SER 4 -3.191 -7.549 -7.949 24 HB3 SER 4 3HB SER 4 -2.758 -6.073 -7.070 25 HG SER 4 HG SER 4 -0.983 -7.541 -7.588 26 H GLU 5 H GLU 5 -5.900 -8.281 -7.135 27 HA GLU 5 HA GLU 5 -7.497 -5.893 -6.299 28 HB2 GLU 5 2HB GLU 5 -7.464 -7.075 -9.084 29 HB3 GLU 5 3HB GLU 5 -8.578 -5.839 -8.474 30 HG2 GLU 5 2HG GLU 5 -6.471 -4.524 -7.837 31 HG3 GLU 5 3HG GLU 5 -5.612 -5.648 -8.886 32 H LYS 6 H LYS 6 -8.754 -6.620 -4.879 33 HA LYS 6 HA LYS 6 -10.876 -8.548 -5.328 34 HB2 LYS 6 2HB LYS 6 -10.263 -9.910 -3.270 35 HB3 LYS 6 3HB LYS 6 -9.297 -10.183 -4.698 36 HG2 LYS 6 2HG LYS 6 -7.883 -10.240 -2.772 37 HG3 LYS 6 3HG LYS 6 -7.435 -8.866 -3.775 38 HD2 LYS 6 2HD LYS 6 -8.605 -7.329 -2.205 39 HD3 LYS 6 3HD LYS 6 -9.175 -8.725 -1.274 40 HE2 LYS 6 2HE LYS 6 -7.326 -7.725 -0.129 41 HE3 LYS 6 3HE LYS 6 -6.819 -9.308 -0.733 42 HZ1 LYS 6 3HZ LYS 6 -5.616 -8.215 -2.497 43 HZ2 LYS 6 1HZ LYS 6 -5.196 -7.467 -1.107 44 HZ3 LYS 6 2HZ LYS 6 -6.260 -6.748 -2.145 45 H SER 7 H SER 7 -11.993 -8.651 -2.816 46 HA SER 7 HA SER 7 -12.935 -6.006 -2.307 47 HB2 SER 7 2HB SER 7 -12.953 -8.407 -0.453 48 HB3 SER 7 3HB SER 7 -13.952 -6.947 -0.307 49 HG SER 7 HG SER 7 -15.066 -8.669 -1.362 50 H ALA 8 H ALA 8 -10.546 -4.596 -0.087 51 HA ALA 8 HA ALA 8 -11.959 -4.287 -2.682 52 HB1 ALA 8 3HB ALA 8 -12.292 -2.457 -0.285 53 HB2 ALA 8 1HB ALA 8 -13.027 -2.257 -1.888 54 HB3 ALA 8 2HB ALA 8 -13.501 -3.624 -0.862 55 H THR 9 H THR 9 -9.378 -4.716 -2.814 56 HA THR 9 HA THR 9 -7.867 -2.161 -2.650 57 HB THR 9 HB THR 9 -5.848 -3.508 -2.977 58 HG1 THR 9 HG1 THR 9 -6.415 -5.285 -4.032 59 HG21 THR 9 3HG2 THR 9 -6.733 -3.113 -0.677 60 HG22 THR 9 1HG2 THR 9 -5.790 -4.600 -0.826 61 HG23 THR 9 2HG2 THR 9 -7.566 -4.680 -0.752 62 H ILE 10 H ILE 10 -6.590 -1.401 -4.334 63 HA ILE 10 HA ILE 10 -7.341 -2.251 -7.106 64 HB ILE 10 HB ILE 10 -7.192 0.139 -7.745 65 HG12 ILE 10 2HG1 ILE 10 -7.142 0.712 -4.740 66 HG13 ILE 10 3HG1 ILE 10 -5.816 0.992 -5.869 67 HG21 ILE 10 1HG2 ILE 10 -9.346 -1.054 -7.266 68 HG22 ILE 10 2HG2 ILE 10 -9.318 -0.379 -5.623 69 HG23 ILE 10 3HG2 ILE 10 -9.439 0.693 -7.035 70 HD11 ILE 10 3HD1 ILE 10 -7.232 2.637 -7.098 71 HD12 ILE 10 1HD1 ILE 10 -8.483 2.441 -5.844 72 HD13 ILE 10 2HD1 ILE 10 -6.894 3.082 -5.413 73 H LYS 11 H LYS 11 -5.772 -2.254 -8.669 74 HA LYS 11 HA LYS 11 -2.975 -2.129 -7.669 75 HB2 LYS 11 2HB LYS 11 -3.772 -4.245 -8.608 76 HB3 LYS 11 3HB LYS 11 -4.100 -3.443 -10.157 77 HG2 LYS 11 2HG LYS 11 -1.680 -2.947 -10.411 78 HG3 LYS 11 3HG LYS 11 -1.367 -3.618 -8.807 79 HD2 LYS 11 2HD LYS 11 -0.750 -5.275 -10.455 80 HD3 LYS 11 3HD LYS 11 -2.151 -5.830 -9.547 81 HE2 LYS 11 2HE LYS 11 -2.502 -6.428 -11.828 82 HE3 LYS 11 3HE LYS 11 -3.644 -5.146 -11.435 83 HZ1 LYS 11 3HZ LYS 11 -2.149 -3.573 -12.572 84 HZ2 LYS 11 1HZ LYS 11 -2.562 -4.781 -13.585 85 HZ3 LYS 11 2HZ LYS 11 -1.081 -4.770 -12.905 86 H VAL 12 H VAL 12 -1.511 -0.753 -8.408 87 HA VAL 12 HA VAL 12 -2.338 1.254 -10.482 88 HB VAL 12 HB VAL 12 -1.092 2.928 -9.274 89 HG11 VAL 12 1HG1 VAL 12 -3.497 2.610 -8.801 90 HG12 VAL 12 2HG1 VAL 12 -3.092 1.528 -7.453 91 HG13 VAL 12 3HG1 VAL 12 -2.610 3.232 -7.396 92 HG21 VAL 12 3HG2 VAL 12 0.591 1.527 -8.109 93 HG22 VAL 12 1HG2 VAL 12 -0.278 2.596 -6.996 94 HG23 VAL 12 2HG2 VAL 12 -0.687 0.878 -7.057 95 H THR 13 H THR 13 -0.627 2.413 -11.574 96 HA THR 13 HA THR 13 1.829 0.791 -12.143 97 HB THR 13 HB THR 13 1.706 1.421 -14.452 98 HG1 THR 13 HG1 THR 13 -0.728 2.725 -13.824 99 HG21 THR 13 3HG2 THR 13 0.374 -0.588 -13.822 100 HG22 THR 13 1HG2 THR 13 -0.249 0.253 -15.254 101 HG23 THR 13 2HG2 THR 13 -1.075 0.433 -13.692 102 H ASP 14 H ASP 14 3.587 2.181 -13.203 103 HA ASP 14 HA ASP 14 4.300 4.354 -11.580 104 HB2 ASP 14 2HB ASP 14 5.826 2.976 -12.922 105 HB3 ASP 14 3HB ASP 14 5.216 3.695 -14.405 106 H ALA 15 H ALA 15 2.231 4.417 -14.418 107 HA ALA 15 HA ALA 15 2.188 7.367 -14.579 108 HB1 ALA 15 3HB ALA 15 0.618 5.228 -16.072 109 HB2 ALA 15 1HB ALA 15 0.597 6.973 -16.410 110 HB3 ALA 15 2HB ALA 15 2.093 6.047 -16.640 111 H SER 16 H SER 16 -0.134 4.741 -13.665 112 HA SER 16 HA SER 16 -2.205 6.666 -13.031 113 HB2 SER 16 2HB SER 16 -3.594 4.747 -12.535 114 HB3 SER 16 3HB SER 16 -2.769 4.570 -14.090 115 HG SER 16 HG SER 16 -2.763 2.673 -12.754 116 H PHE 17 H PHE 17 0.287 5.246 -11.091 117 HA PHE 17 HA PHE 17 -0.752 5.198 -8.512 118 HB2 PHE 17 2HB PHE 17 1.581 4.660 -9.230 119 HB3 PHE 17 3HB PHE 17 1.923 6.374 -9.401 120 HD1 PHE 17 HD1 PHE 17 1.679 7.841 -7.197 121 HD2 PHE 17 HD2 PHE 17 1.958 3.533 -7.249 122 HE1 PHE 17 HE1 PHE 17 2.344 7.845 -4.807 123 HE2 PHE 17 HE2 PHE 17 2.692 3.563 -4.886 124 HZ PHE 17 HZ PHE 17 2.868 5.703 -3.661 125 H ALA 18 H ALA 18 0.263 8.143 -10.352 126 HA ALA 18 HA ALA 18 -0.192 9.933 -8.193 127 HB1 ALA 18 3HB ALA 18 -0.168 11.682 -9.937 128 HB2 ALA 18 1HB ALA 18 1.145 10.513 -10.172 129 HB3 ALA 18 2HB ALA 18 -0.308 10.436 -11.198 130 H THR 19 H THR 19 -2.444 8.860 -10.791 131 HA THR 19 HA THR 19 -4.584 10.596 -9.902 132 HB THR 19 HB THR 19 -4.864 8.049 -11.547 133 HG1 THR 19 HG1 THR 19 -4.142 10.637 -12.459 134 HG21 THR 19 3HG2 THR 19 -6.604 9.375 -12.750 135 HG22 THR 19 1HG2 THR 19 -6.388 10.693 -11.574 136 HG23 THR 19 2HG2 THR 19 -7.007 9.110 -11.050 137 H ASP 20 H ASP 20 -3.664 7.287 -9.017 138 HA ASP 20 HA ASP 20 -6.236 6.914 -7.571 139 HB2 ASP 20 2HB ASP 20 -3.947 5.069 -8.268 140 HB3 ASP 20 3HB ASP 20 -5.238 4.597 -7.164 141 H VAL 21 H VAL 21 -2.813 7.364 -6.739 142 HA VAL 21 HA VAL 21 -3.421 7.005 -3.858 143 HB VAL 21 HB VAL 21 -0.729 7.486 -5.163 144 HG11 VAL 21 1HG1 VAL 21 -0.817 7.979 -2.723 145 HG12 VAL 21 2HG1 VAL 21 -1.411 6.330 -2.438 146 HG13 VAL 21 3HG1 VAL 21 0.203 6.597 -3.111 147 HG21 VAL 21 3HG2 VAL 21 -2.043 4.844 -4.364 148 HG22 VAL 21 1HG2 VAL 21 -1.684 5.361 -6.025 149 HG23 VAL 21 2HG2 VAL 21 -0.363 5.052 -4.912 150 H LEU 22 H LEU 22 -2.055 9.522 -6.036 151 HA LEU 22 HA LEU 22 -1.891 11.373 -3.761 152 HB2 LEU 22 2HB LEU 22 -1.084 11.925 -6.623 153 HB3 LEU 22 3HB LEU 22 -0.606 12.798 -5.177 154 HG LEU 22 HG LEU 22 0.201 9.950 -5.899 155 HD11 LEU 22 1HD1 LEU 22 1.834 12.512 -5.769 156 HD12 LEU 22 2HD1 LEU 22 1.290 11.705 -7.256 157 HD13 LEU 22 3HD1 LEU 22 2.437 10.891 -6.180 158 HD21 LEU 22 3HD2 LEU 22 0.077 10.180 -3.443 159 HD22 LEU 22 1HD2 LEU 22 1.085 11.643 -3.534 160 HD23 LEU 22 2HD2 LEU 22 1.749 10.067 -3.996 161 H SER 23 H SER 23 -3.812 11.147 -6.751 162 HA SER 23 HA SER 23 -5.243 13.622 -6.190 163 HB2 SER 23 2HB SER 23 -5.870 11.526 -8.254 164 HB3 SER 23 3HB SER 23 -6.554 13.147 -8.160 165 HG SER 23 HG SER 23 -4.474 14.005 -8.503 166 H SER 24 H SER 24 -5.478 10.830 -4.536 167 HA SER 24 HA SER 24 -8.265 10.211 -4.453 168 HB2 SER 24 2HB SER 24 -6.479 8.743 -3.592 169 HB3 SER 24 3HB SER 24 -6.210 9.878 -2.251 170 HG SER 24 HG SER 24 -7.650 8.179 -1.689 171 H ASN 25 H ASN 25 -9.829 10.653 -2.875 172 HA ASN 25 HA ASN 25 -9.845 13.392 -1.795 173 HB2 ASN 25 2HB ASN 25 -12.187 13.001 -1.399 174 HB3 ASN 25 3HB ASN 25 -11.791 12.502 -3.036 175 HD21 ASN 25 2HD2 ASN 25 -14.144 11.648 -1.990 176 HD22 ASN 25 1HD2 ASN 25 -14.042 9.934 -1.619 177 H LYS 26 H LYS 26 -8.751 10.452 -0.625 178 HA LYS 26 HA LYS 26 -8.869 11.316 2.212 179 HB2 LYS 26 2HB LYS 26 -10.010 9.413 2.970 180 HB3 LYS 26 3HB LYS 26 -10.858 9.793 1.498 181 HG2 LYS 26 2HG LYS 26 -9.364 8.056 0.320 182 HG3 LYS 26 3HG LYS 26 -8.762 7.642 1.917 183 HD2 LYS 26 2HD LYS 26 -10.439 6.051 1.523 184 HD3 LYS 26 3HD LYS 26 -11.151 7.190 2.649 185 HE2 LYS 26 2HE LYS 26 -12.726 6.491 0.910 186 HE3 LYS 26 3HE LYS 26 -12.437 8.234 0.823 187 HZ1 LYS 26 3HZ LYS 26 -11.165 7.973 -1.101 188 HZ2 LYS 26 1HZ LYS 26 -12.364 6.900 -1.349 189 HZ3 LYS 26 2HZ LYS 26 -10.888 6.359 -0.865 190 HA PRO 27 HA PRO 27 -4.689 9.737 2.335 191 HB2 PRO 27 2HB PRO 27 -4.460 8.190 4.601 192 HB3 PRO 27 3HB PRO 27 -4.571 9.978 4.624 193 HG2 PRO 27 2HG PRO 27 -6.822 7.971 4.960 194 HG3 PRO 27 3HG PRO 27 -6.444 9.366 6.015 195 HD2 PRO 27 2HD PRO 27 -8.334 9.573 4.161 196 HD3 PRO 27 3HD PRO 27 -7.188 10.923 4.377 197 H VAL 28 H VAL 28 -3.376 7.934 1.786 198 HA VAL 28 HA VAL 28 -4.880 5.474 1.008 199 HB VAL 28 HB VAL 28 -2.986 6.945 -0.839 200 HG11 VAL 28 1HG1 VAL 28 -2.916 4.513 -1.222 201 HG12 VAL 28 2HG1 VAL 28 -4.692 4.437 -1.230 202 HG13 VAL 28 3HG1 VAL 28 -3.823 5.276 -2.521 203 HG21 VAL 28 3HG2 VAL 28 -5.058 8.176 -0.751 204 HG22 VAL 28 1HG2 VAL 28 -5.060 7.237 -2.243 205 HG23 VAL 28 2HG2 VAL 28 -6.019 6.684 -0.853 206 H LEU 29 H LEU 29 -3.974 3.632 1.448 207 HA LEU 29 HA LEU 29 -1.128 3.448 2.284 208 HB2 LEU 29 2HB LEU 29 -3.359 2.380 3.445 209 HB3 LEU 29 3HB LEU 29 -3.092 1.151 2.255 210 HG LEU 29 HG LEU 29 -2.174 0.524 4.382 211 HD11 LEU 29 1HD1 LEU 29 0.209 1.072 2.586 212 HD12 LEU 29 2HD1 LEU 29 -0.985 -0.220 2.289 213 HD13 LEU 29 3HD1 LEU 29 -0.008 -0.227 3.762 214 HD21 LEU 29 3HD2 LEU 29 -0.260 2.880 4.184 215 HD22 LEU 29 1HD2 LEU 29 -0.306 1.657 5.458 216 HD23 LEU 29 2HD2 LEU 29 -1.664 2.777 5.270 217 H VAL 30 H VAL 30 0.363 2.561 0.852 218 HA VAL 30 HA VAL 30 -0.689 0.911 -1.409 219 HB VAL 30 HB VAL 30 1.882 2.459 -1.680 220 HG11 VAL 30 1HG1 VAL 30 1.553 0.519 -3.166 221 HG12 VAL 30 2HG1 VAL 30 -0.054 1.121 -3.633 222 HG13 VAL 30 3HG1 VAL 30 1.402 2.004 -4.097 223 HG21 VAL 30 3HG2 VAL 30 0.169 4.188 -1.419 224 HG22 VAL 30 1HG2 VAL 30 0.676 4.070 -3.100 225 HG23 VAL 30 2HG2 VAL 30 -0.876 3.363 -2.596 226 H ASP 31 H ASP 31 0.005 -1.102 -1.456 227 HA ASP 31 HA ASP 31 2.445 -1.862 0.109 228 HB2 ASP 31 2HB ASP 31 0.433 -2.988 0.832 229 HB3 ASP 31 3HB ASP 31 0.075 -3.502 -0.810 230 H PHE 32 H PHE 32 4.199 -1.988 -1.041 231 HA PHE 32 HA PHE 32 4.212 -2.757 -3.913 232 HB2 PHE 32 2HB PHE 32 6.347 -1.677 -2.053 233 HB3 PHE 32 3HB PHE 32 6.642 -2.218 -3.695 234 HD1 PHE 32 HD2 PHE 32 4.517 0.260 -1.774 235 HD2 PHE 32 HD1 PHE 32 6.656 -0.651 -5.410 236 HE1 PHE 32 HE2 PHE 32 4.110 2.563 -2.605 237 HE2 PHE 32 HE1 PHE 32 6.265 1.656 -6.212 238 HZ PHE 32 HZ PHE 32 4.998 3.269 -4.811 239 H TRP 33 H TRP 33 4.479 -4.877 -4.381 240 HA TRP 33 HA TRP 33 5.978 -6.657 -2.554 241 HB2 TRP 33 2HB TRP 33 4.204 -8.024 -1.979 242 HB3 TRP 33 3HB TRP 33 3.621 -6.412 -1.682 243 HD1 TRP 33 HD1 TRP 33 2.848 -6.305 -5.073 244 HE1 TRP 33 HE1 TRP 33 0.567 -7.288 -5.694 245 HE3 TRP 33 HE3 TRP 33 1.954 -8.993 -0.831 246 HZ2 TRP 33 HZ2 TRP 33 -1.448 -8.926 -4.432 247 HZ3 TRP 33 HZ3 TRP 33 -0.101 -10.354 -0.614 248 HH2 TRP 33 HH2 TRP 33 -1.839 -10.293 -2.391 249 H ALA 34 H ALA 34 6.004 -8.938 -3.303 250 HA ALA 34 HA ALA 34 5.375 -9.289 -6.193 251 HB1 ALA 34 3HB ALA 34 7.404 -10.903 -4.598 252 HB2 ALA 34 1HB ALA 34 6.961 -11.106 -6.303 253 HB3 ALA 34 2HB ALA 34 7.804 -9.637 -5.787 254 H THR 35 H THR 35 3.809 -10.758 -6.595 255 HA THR 35 HA THR 35 1.934 -11.232 -4.551 256 HB THR 35 HB THR 35 0.701 -12.501 -6.339 257 HG1 THR 35 HG1 THR 35 1.694 -12.590 -8.375 258 HG21 THR 35 3HG2 THR 35 1.939 -9.820 -7.115 259 HG22 THR 35 1HG2 THR 35 0.397 -10.107 -6.289 260 HG23 THR 35 2HG2 THR 35 0.610 -10.590 -7.983 261 H TRP 36 H TRP 36 4.581 -13.228 -5.330 262 HA TRP 36 HA TRP 36 3.383 -15.690 -4.175 263 HB2 TRP 36 2HB TRP 36 5.414 -16.745 -5.194 264 HB3 TRP 36 3HB TRP 36 4.328 -15.973 -6.336 265 HD1 TRP 36 HD1 TRP 36 5.258 -14.142 -7.862 266 HE1 TRP 36 HE1 TRP 36 7.532 -13.003 -8.214 267 HE3 TRP 36 HE3 TRP 36 7.753 -15.996 -3.775 268 HZ2 TRP 36 HZ2 TRP 36 10.044 -12.782 -6.818 269 HZ3 TRP 36 HZ3 TRP 36 10.075 -15.262 -3.291 270 HH2 TRP 36 HH2 TRP 36 11.226 -13.654 -4.796 271 H CYS 37 H CYS 37 5.321 -13.093 -3.054 272 HA CYS 37 HA CYS 37 7.247 -14.687 -1.589 273 HB2 CYS 37 2HB CYS 37 8.371 -12.840 -1.700 274 HB3 CYS 37 3HB CYS 37 7.013 -11.982 -2.376 275 H GLY 38 H GLY 38 7.449 -15.083 0.639 276 HA2 GLY 38 2HA GLY 38 5.123 -16.019 1.875 277 HA3 GLY 38 3HA GLY 38 6.664 -15.791 2.694 278 HA PRO 39 HA PRO 39 5.009 -12.350 5.035 279 HB2 PRO 39 2HB PRO 39 7.088 -10.553 3.763 280 HB3 PRO 39 3HB PRO 39 6.617 -10.662 5.487 281 HG2 PRO 39 2HG PRO 39 8.839 -11.882 4.668 282 HG3 PRO 39 3HG PRO 39 7.679 -12.793 5.697 283 HD2 PRO 39 2HD PRO 39 7.979 -12.885 2.665 284 HD3 PRO 39 3HD PRO 39 7.868 -14.249 3.819 285 H CYS 40 H CYS 40 5.497 -11.727 1.575 286 HA CYS 40 HA CYS 40 3.779 -9.437 1.328 287 HB2 CYS 40 2HB CYS 40 4.394 -11.571 -0.763 288 HB3 CYS 40 3HB CYS 40 3.787 -9.978 -1.051 289 H LYS 41 H LYS 41 3.155 -12.972 0.849 290 HA LYS 41 HA LYS 41 0.314 -12.624 0.526 291 HB2 LYS 41 2HB LYS 41 1.969 -14.570 -0.193 292 HB3 LYS 41 3HB LYS 41 1.670 -15.170 1.434 293 HG2 LYS 41 2HG LYS 41 0.045 -16.283 0.309 294 HG3 LYS 41 3HG LYS 41 -0.886 -14.851 0.733 295 HD2 LYS 41 2HD LYS 41 0.472 -15.432 -1.942 296 HD3 LYS 41 3HD LYS 41 -1.251 -15.584 -1.599 297 HE2 LYS 41 2HE LYS 41 -1.387 -13.128 -1.195 298 HE3 LYS 41 3HE LYS 41 0.339 -12.985 -1.599 299 HZ1 LYS 41 3HZ LYS 41 -0.176 -13.883 -3.795 300 HZ2 LYS 41 1HZ LYS 41 -1.038 -12.520 -3.553 301 HZ3 LYS 41 2HZ LYS 41 -1.796 -13.958 -3.429 302 H MET 42 H MET 42 2.349 -13.093 3.378 303 HA MET 42 HA MET 42 0.304 -13.623 5.260 304 HB2 MET 42 2HB MET 42 2.826 -13.747 5.577 305 HB3 MET 42 3HB MET 42 2.817 -11.995 5.770 306 HG2 MET 42 2HG MET 42 2.850 -13.079 7.933 307 HG3 MET 42 3HG MET 42 1.363 -12.171 7.723 308 HE1 MET 42 3HE MET 42 2.295 -15.862 6.364 309 HE2 MET 42 1HE MET 42 3.057 -15.687 7.964 310 HE3 MET 42 2HE MET 42 1.699 -16.809 7.740 311 H VAL 43 H VAL 43 1.247 -10.435 3.872 312 HA VAL 43 HA VAL 43 -0.702 -9.059 5.629 313 HB VAL 43 HB VAL 43 -0.066 -7.015 4.528 314 HG11 VAL 43 1HG1 VAL 43 2.329 -8.610 5.489 315 HG12 VAL 43 2HG1 VAL 43 2.152 -6.838 5.490 316 HG13 VAL 43 3HG1 VAL 43 1.115 -7.836 6.531 317 HG21 VAL 43 3HG2 VAL 43 1.779 -6.816 3.004 318 HG22 VAL 43 1HG2 VAL 43 2.091 -8.555 3.049 319 HG23 VAL 43 2HG2 VAL 43 0.614 -7.931 2.281 320 H ALA 44 H ALA 44 -0.957 -10.718 2.612 321 HA ALA 44 HA ALA 44 -2.857 -9.178 1.265 322 HB1 ALA 44 3HB ALA 44 -3.579 -11.227 0.189 323 HB2 ALA 44 1HB ALA 44 -1.819 -11.251 0.385 324 HB3 ALA 44 2HB ALA 44 -2.840 -12.217 1.457 325 HA PRO 45 HA PRO 45 -6.531 -10.931 3.816 326 HB2 PRO 45 2HB PRO 45 -6.132 -11.985 6.316 327 HB3 PRO 45 3HB PRO 45 -6.119 -12.957 4.813 328 HG2 PRO 45 2HG PRO 45 -3.732 -11.791 6.287 329 HG3 PRO 45 3HG PRO 45 -3.968 -13.480 5.725 330 HD2 PRO 45 2HD PRO 45 -2.558 -11.744 4.259 331 HD3 PRO 45 3HD PRO 45 -3.694 -12.861 3.457 332 H VAL 46 H VAL 46 -3.810 -9.311 5.440 333 HA VAL 46 HA VAL 46 -5.448 -7.747 7.285 334 HB VAL 46 HB VAL 46 -2.608 -7.409 6.252 335 HG11 VAL 46 1HG1 VAL 46 -2.268 -5.825 8.135 336 HG12 VAL 46 2HG1 VAL 46 -3.311 -5.195 6.859 337 HG13 VAL 46 3HG1 VAL 46 -4.032 -5.789 8.363 338 HG21 VAL 46 3HG2 VAL 46 -1.953 -8.206 8.442 339 HG22 VAL 46 1HG2 VAL 46 -3.653 -8.321 8.958 340 HG23 VAL 46 2HG2 VAL 46 -3.013 -9.392 7.694 341 H LEU 47 H LEU 47 -4.141 -7.235 4.028 342 HA LEU 47 HA LEU 47 -5.059 -4.485 3.816 343 HB2 LEU 47 2HB LEU 47 -4.055 -6.461 1.718 344 HB3 LEU 47 3HB LEU 47 -4.240 -4.719 1.452 345 HG LEU 47 HG LEU 47 -2.610 -5.860 3.701 346 HD11 LEU 47 1HD1 LEU 47 -0.563 -5.547 2.335 347 HD12 LEU 47 2HD1 LEU 47 -1.564 -5.088 0.948 348 HD13 LEU 47 3HD1 LEU 47 -1.650 -6.748 1.628 349 HD21 LEU 47 3HD2 LEU 47 -1.414 -3.706 3.660 350 HD22 LEU 47 1HD2 LEU 47 -3.145 -3.434 3.862 351 HD23 LEU 47 2HD2 LEU 47 -2.385 -3.170 2.276 352 H GLU 48 H GLU 48 -6.191 -7.580 2.569 353 HA GLU 48 HA GLU 48 -8.649 -6.869 1.326 354 HB2 GLU 48 2HB GLU 48 -7.543 -9.109 1.510 355 HB3 GLU 48 3HB GLU 48 -7.846 -9.117 3.223 356 HG2 GLU 48 2HG GLU 48 -10.309 -9.145 2.798 357 HG3 GLU 48 3HG GLU 48 -9.997 -9.119 1.060 358 H GLU 49 H GLU 49 -7.726 -7.117 4.791 359 HA GLU 49 HA GLU 49 -10.555 -6.915 5.605 360 HB2 GLU 49 2HB GLU 49 -7.958 -7.171 7.108 361 HB3 GLU 49 3HB GLU 49 -9.421 -6.680 7.950 362 HG2 GLU 49 2HG GLU 49 -9.633 -9.119 6.194 363 HG3 GLU 49 3HG GLU 49 -8.704 -9.261 7.681 364 H ILE 50 H ILE 50 -7.703 -4.742 6.015 365 HA ILE 50 HA ILE 50 -9.238 -2.546 7.052 366 HB ILE 50 HB ILE 50 -6.642 -2.672 5.534 367 HG12 ILE 50 2HG1 ILE 50 -6.523 -3.844 7.698 368 HG13 ILE 50 3HG1 ILE 50 -5.524 -2.407 7.703 369 HG21 ILE 50 1HG2 ILE 50 -7.404 -0.394 5.287 370 HG22 ILE 50 2HG2 ILE 50 -7.810 -0.283 7.008 371 HG23 ILE 50 3HG2 ILE 50 -6.116 -0.407 6.491 372 HD11 ILE 50 3HD1 ILE 50 -6.667 -2.683 9.836 373 HD12 ILE 50 1HD1 ILE 50 -7.234 -1.205 9.052 374 HD13 ILE 50 2HD1 ILE 50 -8.249 -2.670 9.045 375 H ALA 51 H ALA 51 -8.500 -3.474 3.632 376 HA ALA 51 HA ALA 51 -9.697 -1.111 2.512 377 HB1 ALA 51 3HB ALA 51 -8.152 -2.619 1.292 378 HB2 ALA 51 1HB ALA 51 -9.395 -3.884 1.289 379 HB3 ALA 51 2HB ALA 51 -9.669 -2.350 0.423 380 H THR 52 H THR 52 -11.106 -4.319 3.436 381 HA THR 52 HA THR 52 -13.723 -3.625 2.347 382 HB THR 52 HB THR 52 -12.920 -5.803 4.314 383 HG1 THR 52 HG1 THR 52 -11.922 -6.199 2.455 384 HG21 THR 52 3HG2 THR 52 -15.431 -5.459 2.611 385 HG22 THR 52 1HG2 THR 52 -15.349 -5.490 4.389 386 HG23 THR 52 2HG2 THR 52 -14.973 -6.950 3.469 387 H GLU 53 H GLU 53 -12.175 -3.349 5.561 388 HA GLU 53 HA GLU 53 -14.776 -2.733 6.824 389 HB2 GLU 53 2HB GLU 53 -11.978 -3.113 7.932 390 HB3 GLU 53 3HB GLU 53 -13.403 -2.838 8.919 391 HG2 GLU 53 2HG GLU 53 -13.288 -5.181 6.966 392 HG3 GLU 53 3HG GLU 53 -12.586 -5.274 8.564 393 H ARG 54 H ARG 54 -11.809 -0.962 6.034 394 HA ARG 54 HA ARG 54 -12.825 1.462 7.469 395 HB2 ARG 54 2HB ARG 54 -9.941 0.807 6.819 396 HB3 ARG 54 3HB ARG 54 -10.541 2.092 7.846 397 HG2 ARG 54 2HG ARG 54 -10.463 -0.873 8.444 398 HG3 ARG 54 3HG ARG 54 -9.602 0.432 9.245 399 HD2 ARG 54 2HD ARG 54 -12.544 -0.270 9.459 400 HD3 ARG 54 3HD ARG 54 -11.312 -0.303 10.716 401 HE ARG 54 HE ARG 54 -12.104 2.298 9.431 402 HH11 ARG 54 1HH1 ARG 54 -12.121 0.429 12.433 403 HH12 ARG 54 2HH1 ARG 54 -12.677 1.826 13.339 404 HH21 ARG 54 2HH2 ARG 54 -12.859 3.856 10.559 405 HH22 ARG 54 1HH2 ARG 54 -13.262 3.677 12.264 406 H ALA 55 H ALA 55 -13.355 0.640 4.600 407 HA ALA 55 HA ALA 55 -11.983 2.198 2.752 408 HB1 ALA 55 3HB ALA 55 -14.011 1.969 1.372 409 HB2 ALA 55 1HB ALA 55 -13.671 0.460 2.231 410 HB3 ALA 55 2HB ALA 55 -14.962 1.534 2.807 411 H THR 56 H THR 56 -14.356 3.381 5.070 412 HA THR 56 HA THR 56 -14.708 5.993 3.787 413 HB THR 56 HB THR 56 -16.470 4.847 5.116 414 HG1 THR 56 HG1 THR 56 -17.177 6.732 6.053 415 HG21 THR 56 3HG2 THR 56 -14.872 5.719 7.566 416 HG22 THR 56 1HG2 THR 56 -15.093 4.038 7.039 417 HG23 THR 56 2HG2 THR 56 -16.491 4.995 7.546 418 H ASP 57 H ASP 57 -12.408 4.613 5.988 419 HA ASP 57 HA ASP 57 -11.470 7.205 7.062 420 HB2 ASP 57 2HB ASP 57 -10.396 4.385 7.448 421 HB3 ASP 57 3HB ASP 57 -9.949 5.805 8.361 422 H LEU 58 H LEU 58 -10.281 4.496 5.039 423 HA LEU 58 HA LEU 58 -8.459 6.230 3.577 424 HB2 LEU 58 2HB LEU 58 -6.410 5.278 4.147 425 HB3 LEU 58 3HB LEU 58 -7.193 5.733 5.625 426 HG LEU 58 HG LEU 58 -5.936 3.799 5.979 427 HD11 LEU 58 1HD1 LEU 58 -7.504 2.220 6.906 428 HD12 LEU 58 2HD1 LEU 58 -8.814 2.865 5.897 429 HD13 LEU 58 3HD1 LEU 58 -8.085 3.871 7.176 430 HD21 LEU 58 3HD2 LEU 58 -7.467 2.179 3.947 431 HD22 LEU 58 1HD2 LEU 58 -6.044 1.729 4.893 432 HD23 LEU 58 2HD2 LEU 58 -5.894 2.954 3.624 433 H THR 59 H THR 59 -7.437 5.221 1.757 434 HA THR 59 HA THR 59 -8.899 2.804 0.724 435 HB THR 59 HB THR 59 -7.610 5.092 -0.796 436 HG1 THR 59 HG1 THR 59 -10.275 4.125 -0.674 437 HG21 THR 59 3HG2 THR 59 -8.942 2.567 -1.864 438 HG22 THR 59 1HG2 THR 59 -7.260 3.089 -2.132 439 HG23 THR 59 2HG2 THR 59 -8.588 4.022 -2.823 440 H VAL 60 H VAL 60 -7.713 1.069 -0.119 441 HA VAL 60 HA VAL 60 -4.761 1.139 0.399 442 HB VAL 60 HB VAL 60 -6.590 -1.232 0.640 443 HG11 VAL 60 1HG1 VAL 60 -3.619 -0.944 1.239 444 HG12 VAL 60 2HG1 VAL 60 -4.621 -2.361 1.622 445 HG13 VAL 60 3HG1 VAL 60 -4.338 -1.919 -0.062 446 HG21 VAL 60 3HG2 VAL 60 -6.979 0.236 2.531 447 HG22 VAL 60 1HG2 VAL 60 -6.068 -1.179 3.054 448 HG23 VAL 60 2HG2 VAL 60 -5.230 0.371 2.824 449 H ALA 61 H ALA 61 -3.489 0.803 -1.238 450 HA ALA 61 HA ALA 61 -4.508 -0.357 -3.781 451 HB1 ALA 61 3HB ALA 61 -3.056 1.271 -4.928 452 HB2 ALA 61 1HB ALA 61 -4.251 2.084 -3.901 453 HB3 ALA 61 2HB ALA 61 -2.566 1.943 -3.358 454 H LYS 62 H LYS 62 -2.925 -1.298 -5.167 455 HA LYS 62 HA LYS 62 -0.654 -2.664 -3.749 456 HB2 LYS 62 2HB LYS 62 -2.842 -3.655 -5.613 457 HB3 LYS 62 3HB LYS 62 -1.330 -4.541 -5.460 458 HG2 LYS 62 2HG LYS 62 -2.938 -3.788 -2.982 459 HG3 LYS 62 3HG LYS 62 -3.331 -5.211 -3.939 460 HD2 LYS 62 2HD LYS 62 -1.022 -6.053 -3.695 461 HD3 LYS 62 3HD LYS 62 -0.624 -4.674 -2.655 462 HE2 LYS 62 2HE LYS 62 -2.407 -5.363 -1.074 463 HE3 LYS 62 3HE LYS 62 -2.822 -6.725 -2.136 464 HZ1 LYS 62 3HZ LYS 62 -0.586 -7.611 -1.778 465 HZ2 LYS 62 1HZ LYS 62 -1.314 -7.420 -0.333 466 HZ3 LYS 62 2HZ LYS 62 -0.168 -6.361 -0.823 467 H LEU 63 H LEU 63 1.249 -2.742 -4.674 468 HA LEU 63 HA LEU 63 1.452 -2.204 -7.600 469 HB2 LEU 63 2HB LEU 63 2.195 -0.235 -6.309 470 HB3 LEU 63 3HB LEU 63 3.385 -1.212 -5.472 471 HG LEU 63 HG LEU 63 4.273 0.202 -7.275 472 HD11 LEU 63 1HD1 LEU 63 4.794 -2.578 -8.257 473 HD12 LEU 63 2HD1 LEU 63 5.338 -2.084 -6.643 474 HD13 LEU 63 3HD1 LEU 63 5.894 -1.217 -8.091 475 HD21 LEU 63 3HD2 LEU 63 3.978 -0.370 -9.624 476 HD22 LEU 63 1HD2 LEU 63 2.458 0.142 -8.871 477 HD23 LEU 63 2HD2 LEU 63 2.768 -1.575 -9.215 478 H ASP 64 H ASP 64 2.322 -3.786 -8.682 479 HA ASP 64 HA ASP 64 3.630 -6.051 -7.236 480 HB2 ASP 64 2HB ASP 64 1.776 -6.807 -8.510 481 HB3 ASP 64 3HB ASP 64 2.299 -5.907 -9.941 482 H VAL 65 H VAL 65 5.747 -5.914 -7.109 483 HA VAL 65 HA VAL 65 7.213 -4.009 -8.679 484 HB VAL 65 HB VAL 65 9.152 -4.606 -7.442 485 HG11 VAL 65 1HG1 VAL 65 8.418 -4.226 -5.173 486 HG12 VAL 65 2HG1 VAL 65 7.468 -3.248 -6.301 487 HG13 VAL 65 3HG1 VAL 65 6.763 -4.710 -5.582 488 HG21 VAL 65 3HG2 VAL 65 7.670 -7.039 -6.380 489 HG22 VAL 65 1HG2 VAL 65 9.065 -7.054 -7.473 490 HG23 VAL 65 2HG2 VAL 65 9.252 -6.450 -5.828 491 H ASP 66 H ASP 66 6.491 -7.275 -9.427 492 HA ASP 66 HA ASP 66 8.840 -7.744 -11.118 493 HB2 ASP 66 2HB ASP 66 7.698 -9.567 -9.905 494 HB3 ASP 66 3HB ASP 66 6.236 -9.286 -10.852 495 H THR 67 H THR 67 5.361 -6.973 -11.706 496 HA THR 67 HA THR 67 5.845 -6.596 -14.596 497 HB THR 67 HB THR 67 3.472 -5.921 -14.676 498 HG1 THR 67 HG1 THR 67 3.410 -6.667 -11.953 499 HG21 THR 67 3HG2 THR 67 4.017 -8.281 -14.975 500 HG22 THR 67 1HG2 THR 67 2.479 -8.094 -14.113 501 HG23 THR 67 2HG2 THR 67 3.946 -8.555 -13.223 502 H ASN 68 H ASN 68 5.648 -4.533 -11.751 503 HA ASN 68 HA ASN 68 6.080 -2.126 -13.480 504 HB2 ASN 68 2HB ASN 68 4.293 -2.438 -11.044 505 HB3 ASN 68 3HB ASN 68 4.787 -0.885 -11.717 506 HD21 ASN 68 1HD2 ASN 68 2.990 -3.898 -12.596 507 HD22 ASN 68 2HD2 ASN 68 2.013 -3.052 -13.785 508 HA PRO 69 HA PRO 69 9.608 -2.367 -10.390 509 HB2 PRO 69 2HB PRO 69 11.685 -2.435 -12.163 510 HB3 PRO 69 3HB PRO 69 10.849 -3.912 -11.596 511 HG2 PRO 69 2HG PRO 69 10.338 -2.356 -14.157 512 HG3 PRO 69 3HG PRO 69 10.607 -4.121 -13.971 513 HD2 PRO 69 2HD PRO 69 8.109 -3.080 -14.129 514 HD3 PRO 69 3HD PRO 69 8.469 -4.445 -13.029 515 H GLU 70 H GLU 70 8.584 -0.520 -13.180 516 HA GLU 70 HA GLU 70 10.239 1.784 -12.955 517 HB2 GLU 70 2HB GLU 70 7.361 1.430 -13.877 518 HB3 GLU 70 3HB GLU 70 8.297 2.899 -14.101 519 HG2 GLU 70 2HG GLU 70 8.869 0.174 -15.300 520 HG3 GLU 70 3HG GLU 70 8.290 1.600 -16.147 521 H THR 71 H THR 71 7.033 1.097 -11.344 522 HA THR 71 HA THR 71 7.130 3.501 -9.795 523 HB THR 71 HB THR 71 5.717 1.138 -8.750 524 HG1 THR 71 HG1 THR 71 4.030 1.652 -10.285 525 HG21 THR 71 3HG2 THR 71 5.464 3.377 -7.675 526 HG22 THR 71 1HG2 THR 71 3.938 2.771 -8.336 527 HG23 THR 71 2HG2 THR 71 4.851 4.023 -9.210 528 H ALA 72 H ALA 72 8.522 0.278 -9.280 529 HA ALA 72 HA ALA 72 9.208 0.669 -6.511 530 HB1 ALA 72 3HB ALA 72 10.506 -1.178 -8.550 531 HB2 ALA 72 1HB ALA 72 10.591 -1.302 -6.787 532 HB3 ALA 72 2HB ALA 72 9.041 -1.551 -7.612 533 H ARG 73 H ARG 73 10.997 1.475 -9.553 534 HA ARG 73 HA ARG 73 13.174 2.702 -7.987 535 HB2 ARG 73 2HB ARG 73 14.138 3.457 -10.042 536 HB3 ARG 73 3HB ARG 73 13.711 1.762 -10.123 537 HG2 ARG 73 2HG ARG 73 13.215 2.579 -12.230 538 HG3 ARG 73 3HG ARG 73 11.671 2.414 -11.453 539 HD2 ARG 73 2HD ARG 73 11.782 4.962 -11.019 540 HD3 ARG 73 3HD ARG 73 13.246 4.974 -11.984 541 HE ARG 73 HE ARG 73 11.874 4.139 -13.905 542 HH11 ARG 73 1HH1 ARG 73 10.027 5.623 -11.350 543 HH12 ARG 73 2HH1 ARG 73 8.651 5.850 -12.382 544 HH21 ARG 73 1HH2 ARG 73 10.077 4.470 -15.093 545 HH22 ARG 73 2HH2 ARG 73 8.735 5.410 -14.440 546 H ASN 74 H ASN 74 10.115 3.848 -9.215 547 HA ASN 74 HA ASN 74 10.514 6.637 -9.014 548 HB2 ASN 74 2HB ASN 74 8.400 5.181 -9.737 549 HB3 ASN 74 3HB ASN 74 7.941 5.331 -8.064 550 HD21 ASN 74 1HD2 ASN 74 6.882 6.505 -10.723 551 HD22 ASN 74 2HD2 ASN 74 6.656 8.196 -10.273 552 H PHE 75 H PHE 75 9.581 4.358 -6.419 553 HA PHE 75 HA PHE 75 10.176 6.438 -4.368 554 HB2 PHE 75 2HB PHE 75 8.464 3.950 -4.200 555 HB3 PHE 75 3HB PHE 75 8.757 5.075 -2.878 556 HD1 PHE 75 HD1 PHE 75 8.016 7.492 -3.084 557 HD2 PHE 75 HD2 PHE 75 6.837 4.458 -5.910 558 HE1 PHE 75 HE1 PHE 75 6.223 8.986 -3.941 559 HE2 PHE 75 HE2 PHE 75 5.037 5.951 -6.760 560 HZ PHE 75 HZ PHE 75 4.744 8.219 -5.789 561 H GLN 76 H GLN 76 12.057 4.314 -5.765 562 HA GLN 76 HA GLN 76 13.806 2.958 -5.224 563 HB2 GLN 76 2HB GLN 76 14.142 5.082 -3.084 564 HB3 GLN 76 3HB GLN 76 15.386 3.927 -3.584 565 HG2 GLN 76 2HG GLN 76 15.278 4.831 -5.909 566 HG3 GLN 76 3HG GLN 76 14.083 6.022 -5.385 567 HE21 GLN 76 1HE2 GLN 76 17.507 4.998 -4.950 568 HE22 GLN 76 2HE2 GLN 76 18.031 6.566 -4.356 569 H VAL 77 H VAL 77 12.011 1.423 -4.676 570 HA VAL 77 HA VAL 77 11.400 0.975 -1.873 571 HB VAL 77 HB VAL 77 10.432 -0.423 -4.389 572 HG11 VAL 77 1HG1 VAL 77 8.600 -1.233 -2.937 573 HG12 VAL 77 2HG1 VAL 77 10.146 -1.895 -2.420 574 HG13 VAL 77 3HG1 VAL 77 9.418 -0.547 -1.518 575 HG21 VAL 77 3HG2 VAL 77 9.767 1.943 -4.298 576 HG22 VAL 77 1HG2 VAL 77 8.379 0.927 -3.935 577 HG23 VAL 77 2HG2 VAL 77 9.221 1.756 -2.617 578 H VAL 78 H VAL 78 12.499 -0.174 -0.603 579 HA VAL 78 HA VAL 78 13.474 -2.828 -1.276 580 HB VAL 78 HB VAL 78 15.334 -0.780 0.014 581 HG11 VAL 78 1HG1 VAL 78 17.018 -2.606 -0.068 582 HG12 VAL 78 2HG1 VAL 78 15.666 -3.017 0.981 583 HG13 VAL 78 3HG1 VAL 78 15.770 -3.727 -0.650 584 HG21 VAL 78 3HG2 VAL 78 15.313 -0.419 -2.403 585 HG22 VAL 78 1HG2 VAL 78 16.825 -1.188 -1.928 586 HG23 VAL 78 2HG2 VAL 78 15.548 -2.160 -2.693 587 H SER 79 H SER 79 12.412 -3.310 2.212 588 HA SER 79 HA SER 79 12.706 -4.492 -0.506 589 HB2 SER 79 2HB SER 79 14.588 -5.184 1.048 590 HB3 SER 79 3HB SER 79 13.355 -5.963 2.059 591 HG SER 79 HG SER 79 14.294 -7.384 0.477 592 H ILE 80 H ILE 80 11.302 -6.357 -0.837 593 HA ILE 80 HA ILE 80 8.669 -5.540 -0.120 594 HB ILE 80 HB ILE 80 7.873 -7.450 -1.459 595 HG12 ILE 80 2HG1 ILE 80 10.817 -8.012 -2.037 596 HG13 ILE 80 3HG1 ILE 80 9.799 -9.008 -0.996 597 HG21 ILE 80 1HG2 ILE 80 8.509 -6.457 -3.560 598 HG22 ILE 80 2HG2 ILE 80 8.389 -5.170 -2.364 599 HG23 ILE 80 3HG2 ILE 80 9.987 -5.764 -2.859 600 HD11 ILE 80 3HD1 ILE 80 9.365 -8.550 -3.968 601 HD12 ILE 80 1HD1 ILE 80 9.934 -10.028 -3.174 602 HD13 ILE 80 2HD1 ILE 80 8.278 -9.464 -2.888 603 HA PRO 81 HA PRO 81 6.517 -6.112 0.105 604 HB2 PRO 81 2HB PRO 81 4.609 -5.942 2.012 605 HB3 PRO 81 3HB PRO 81 4.822 -7.408 1.009 606 HG2 PRO 81 2HG PRO 81 5.890 -6.880 3.806 607 HG3 PRO 81 3HG PRO 81 4.997 -8.314 3.227 608 HD2 PRO 81 2HD PRO 81 7.736 -8.253 3.360 609 HD3 PRO 81 3HD PRO 81 6.882 -9.131 2.060 610 H THR 82 H THR 82 6.437 -3.908 0.143 611 HA THR 82 HA THR 82 7.355 -2.436 2.601 612 HB THR 82 HB THR 82 7.640 -1.574 -0.290 613 HG1 THR 82 HG1 THR 82 9.160 -3.144 0.950 614 HG21 THR 82 3HG2 THR 82 8.942 0.319 0.694 615 HG22 THR 82 1HG2 THR 82 8.438 -0.208 2.315 616 HG23 THR 82 2HG2 THR 82 7.233 0.380 1.142 617 H LEU 83 H LEU 83 5.689 -1.595 3.597 618 HA LEU 83 HA LEU 83 3.226 -0.804 2.103 619 HB2 LEU 83 2HB LEU 83 3.656 -1.436 5.056 620 HB3 LEU 83 3HB LEU 83 2.189 -0.769 4.359 621 HG LEU 83 HG LEU 83 2.154 -2.864 2.819 622 HD11 LEU 83 1HD1 LEU 83 3.103 -4.908 3.908 623 HD12 LEU 83 2HD1 LEU 83 3.971 -3.879 5.066 624 HD13 LEU 83 3HD1 LEU 83 4.364 -3.834 3.334 625 HD21 LEU 83 3HD2 LEU 83 1.662 -3.161 5.807 626 HD22 LEU 83 1HD2 LEU 83 0.949 -4.156 4.521 627 HD23 LEU 83 2HD2 LEU 83 0.541 -2.441 4.631 628 H ILE 84 H ILE 84 2.921 1.315 1.772 629 HA ILE 84 HA ILE 84 4.176 3.270 3.637 630 HB ILE 84 HB ILE 84 5.629 3.300 1.786 631 HG12 ILE 84 2HG1 ILE 84 3.716 5.659 1.468 632 HG13 ILE 84 3HG1 ILE 84 4.856 5.465 2.798 633 HG21 ILE 84 1HG2 ILE 84 3.201 3.587 -0.032 634 HG22 ILE 84 2HG2 ILE 84 4.896 3.732 -0.554 635 HG23 ILE 84 3HG2 ILE 84 4.297 2.195 0.061 636 HD11 ILE 84 3HD1 ILE 84 5.754 6.983 1.289 637 HD12 ILE 84 1HD1 ILE 84 6.730 5.503 1.168 638 HD13 ILE 84 2HD1 ILE 84 5.536 5.906 -0.103 639 H LEU 85 H LEU 85 3.071 4.952 4.240 640 HA LEU 85 HA LEU 85 0.238 5.211 3.338 641 HB2 LEU 85 2HB LEU 85 0.500 4.650 5.668 642 HB3 LEU 85 3HB LEU 85 1.682 5.939 5.900 643 HG LEU 85 HG LEU 85 0.007 7.639 5.500 644 HD11 LEU 85 1HD1 LEU 85 -1.979 5.319 5.244 645 HD12 LEU 85 2HD1 LEU 85 -1.604 6.518 3.996 646 HD13 LEU 85 3HD1 LEU 85 -2.437 7.024 5.456 647 HD21 LEU 85 3HD2 LEU 85 -1.315 7.258 7.565 648 HD22 LEU 85 1HD2 LEU 85 0.351 6.691 7.793 649 HD23 LEU 85 2HD2 LEU 85 -0.941 5.521 7.497 650 H PHE 86 H PHE 86 -0.392 6.876 2.237 651 HA PHE 86 HA PHE 86 1.134 9.438 2.180 652 HB2 PHE 86 2HB PHE 86 -0.763 8.183 0.162 653 HB3 PHE 86 3HB PHE 86 -0.201 9.842 0.078 654 HD1 PHE 86 HD1 PHE 86 1.027 6.289 0.084 655 HD2 PHE 86 HD2 PHE 86 1.822 10.384 -1.009 656 HE1 PHE 86 HE1 PHE 86 3.044 5.573 -1.171 657 HE2 PHE 86 HE2 PHE 86 3.832 9.656 -2.272 658 HZ PHE 86 HZ PHE 86 4.456 7.251 -2.334 659 H LYS 87 H LYS 87 0.145 11.284 2.707 660 HA LYS 87 HA LYS 87 -2.741 11.306 3.540 661 HB2 LYS 87 2HB LYS 87 -1.156 11.255 5.467 662 HB3 LYS 87 3HB LYS 87 -0.368 12.707 4.836 663 HG2 LYS 87 2HG LYS 87 -2.577 13.930 5.100 664 HG3 LYS 87 3HG LYS 87 -3.226 12.466 5.872 665 HD2 LYS 87 2HD LYS 87 -1.372 12.605 7.567 666 HD3 LYS 87 3HD LYS 87 -0.819 14.105 6.804 667 HE2 LYS 87 2HE LYS 87 -3.047 15.135 7.298 668 HE3 LYS 87 3HE LYS 87 -3.536 13.632 8.104 669 HZ1 LYS 87 3HZ LYS 87 -2.696 15.277 9.696 670 HZ2 LYS 87 1HZ LYS 87 -1.243 15.319 8.954 671 HZ3 LYS 87 2HZ LYS 87 -1.746 13.941 9.693 672 H ASP 88 H ASP 88 -3.874 12.709 2.349 673 HA ASP 88 HA ASP 88 -4.389 14.217 0.735 674 HB2 ASP 88 2HB ASP 88 -4.254 15.488 2.855 675 HB3 ASP 88 3HB ASP 88 -2.623 15.997 2.440 676 H GLY 89 H GLY 89 -2.251 12.571 -0.140 677 HA2 GLY 89 2HA GLY 89 -1.058 12.364 -2.074 678 HA3 GLY 89 3HA GLY 89 -1.348 14.045 -2.480 679 H GLN 90 H GLN 90 0.244 13.409 0.612 680 HA GLN 90 HA GLN 90 2.880 13.219 -0.711 681 HB2 GLN 90 2HB GLN 90 3.993 14.551 0.998 682 HB3 GLN 90 3HB GLN 90 2.928 15.485 -0.025 683 HG2 GLN 90 2HG GLN 90 1.747 14.539 2.574 684 HG3 GLN 90 3HG GLN 90 3.072 15.684 2.693 685 HE21 GLN 90 1HE2 GLN 90 -0.307 15.390 2.018 686 HE22 GLN 90 2HE2 GLN 90 -0.549 17.064 1.521 687 HA PRO 91 HA PRO 91 3.291 9.666 1.882 688 HB2 PRO 91 2HB PRO 91 5.986 9.254 1.917 689 HB3 PRO 91 3HB PRO 91 4.980 9.020 0.453 690 HG2 PRO 91 2HG PRO 91 6.639 11.444 1.206 691 HG3 PRO 91 3HG PRO 91 6.597 10.572 -0.361 692 HD2 PRO 91 2HD PRO 91 5.145 12.833 0.076 693 HD3 PRO 91 3HD PRO 91 4.509 11.501 -0.928 694 H VAL 92 H VAL 92 3.570 9.116 4.031 695 HA VAL 92 HA VAL 92 4.914 11.131 5.812 696 HB VAL 92 HB VAL 92 2.671 9.423 6.888 697 HG11 VAL 92 1HG1 VAL 92 3.780 12.204 7.511 698 HG12 VAL 92 2HG1 VAL 92 2.463 11.404 8.380 699 HG13 VAL 92 3HG1 VAL 92 4.088 10.717 8.436 700 HG21 VAL 92 3HG2 VAL 92 1.580 10.495 4.970 701 HG22 VAL 92 1HG2 VAL 92 1.152 11.426 6.405 702 HG23 VAL 92 2HG2 VAL 92 2.391 12.043 5.310 703 H LYS 93 H LYS 93 4.161 7.646 5.498 704 HA LYS 93 HA LYS 93 6.635 7.007 7.015 705 HB2 LYS 93 2HB LYS 93 4.774 7.242 8.671 706 HB3 LYS 93 3HB LYS 93 3.877 5.981 7.814 707 HG2 LYS 93 2HG LYS 93 5.791 4.398 8.241 708 HG3 LYS 93 3HG LYS 93 6.607 5.664 9.164 709 HD2 LYS 93 2HD LYS 93 3.843 4.557 9.801 710 HD3 LYS 93 3HD LYS 93 5.354 3.939 10.498 711 HE2 LYS 93 2HE LYS 93 5.734 6.442 11.231 712 HE3 LYS 93 3HE LYS 93 4.000 6.615 10.918 713 HZ1 LYS 93 3HZ LYS 93 4.147 6.006 13.155 714 HZ2 LYS 93 1HZ LYS 93 5.321 4.883 12.910 715 HZ3 LYS 93 2HZ LYS 93 3.806 4.545 12.428 716 H ARG 94 H ARG 94 7.641 5.307 6.308 717 HA ARG 94 HA ARG 94 6.355 3.284 4.508 718 HB2 ARG 94 2HB ARG 94 7.829 4.645 3.205 719 HB3 ARG 94 3HB ARG 94 9.090 4.604 4.439 720 HG2 ARG 94 2HG ARG 94 9.550 2.258 4.007 721 HG3 ARG 94 3HG ARG 94 8.195 2.161 2.857 722 HD2 ARG 94 2HD ARG 94 9.273 3.559 1.284 723 HD3 ARG 94 3HD ARG 94 10.404 4.203 2.486 724 HE ARG 94 HE ARG 94 11.011 1.490 2.364 725 HH11 ARG 94 1HH2 ARG 94 11.007 4.096 0.001 726 HH12 ARG 94 2HH2 ARG 94 12.367 3.427 -0.852 727 HH21 ARG 94 1HH1 ARG 94 12.883 0.807 1.272 728 HH22 ARG 94 2HH1 ARG 94 13.444 1.780 -0.085 729 H ILE 95 H ILE 95 6.443 1.267 5.144 730 HA ILE 95 HA ILE 95 8.268 0.402 7.343 731 HB ILE 95 HB ILE 95 5.411 -0.593 7.038 732 HG12 ILE 95 2HG1 ILE 95 5.099 0.795 9.275 733 HG13 ILE 95 3HG1 ILE 95 6.349 1.830 8.606 734 HG21 ILE 95 1HG2 ILE 95 7.466 -0.695 9.296 735 HG22 ILE 95 2HG2 ILE 95 5.817 -1.335 9.386 736 HG23 ILE 95 3HG2 ILE 95 6.954 -2.056 8.265 737 HD11 ILE 95 3HD1 ILE 95 4.003 2.592 8.157 738 HD12 ILE 95 1HD1 ILE 95 4.870 2.305 6.650 739 HD13 ILE 95 2HD1 ILE 95 3.701 1.106 7.241 740 H VAL 96 H VAL 96 9.166 -1.650 7.113 741 HA VAL 96 HA VAL 96 8.565 -3.150 4.601 742 HB VAL 96 HB VAL 96 10.867 -3.957 4.672 743 HG11 VAL 96 1HG1 VAL 96 10.650 -0.919 4.582 744 HG12 VAL 96 2HG1 VAL 96 11.928 -1.903 3.849 745 HG13 VAL 96 3HG1 VAL 96 10.262 -2.039 3.258 746 HG21 VAL 96 3HG2 VAL 96 11.377 -1.866 6.831 747 HG22 VAL 96 1HG2 VAL 96 11.422 -3.629 7.066 748 HG23 VAL 96 2HG2 VAL 96 12.593 -2.850 5.997 749 H GLY 97 H GLY 97 8.370 -5.344 4.640 750 HA2 GLY 97 2HA GLY 97 8.249 -7.506 5.531 751 HA3 GLY 97 3HA GLY 97 8.695 -6.911 7.126 752 H ALA 98 H ALA 98 6.788 -8.703 7.133 753 HA ALA 98 HA ALA 98 4.145 -7.705 6.643 754 HB1 ALA 98 3HB ALA 98 4.607 -10.059 6.386 755 HB2 ALA 98 1HB ALA 98 5.086 -10.204 8.097 756 HB3 ALA 98 2HB ALA 98 3.400 -9.854 7.659 757 H LYS 99 H LYS 99 2.505 -7.130 7.978 758 HA LYS 99 HA LYS 99 2.773 -6.950 10.890 759 HB2 LYS 99 2HB LYS 99 2.285 -4.557 11.004 760 HB3 LYS 99 3HB LYS 99 3.808 -4.873 10.180 761 HG2 LYS 99 2HG LYS 99 2.431 -4.679 7.972 762 HG3 LYS 99 3HG LYS 99 1.177 -3.944 8.966 763 HD2 LYS 99 2HD LYS 99 4.071 -2.951 8.788 764 HD3 LYS 99 3HD LYS 99 2.777 -2.417 7.748 765 HE2 LYS 99 2HE LYS 99 2.768 -0.720 9.276 766 HE3 LYS 99 3HE LYS 99 1.505 -1.756 9.936 767 HZ1 LYS 99 3HZ LYS 99 4.334 -1.702 10.888 768 HZ2 LYS 99 1HZ LYS 99 3.133 -2.566 11.573 769 HZ3 LYS 99 2HZ LYS 99 3.115 -0.923 11.621 770 H GLY 100 H GLY 100 0.689 -6.365 11.940 771 HA2 GLY 100 2HA GLY 100 -1.489 -7.831 10.593 772 HA3 GLY 100 3HA GLY 100 -1.331 -7.493 12.309 773 H LYS 101 H LYS 101 -3.734 -7.081 11.332 774 HA LYS 101 HA LYS 101 -4.329 -4.584 10.120 775 HB2 LYS 101 2HB LYS 101 -5.996 -6.133 12.165 776 HB3 LYS 101 3HB LYS 101 -6.610 -4.880 11.080 777 HG2 LYS 101 2HG LYS 101 -6.106 -6.300 9.130 778 HG3 LYS 101 3HG LYS 101 -5.536 -7.592 10.203 779 HD2 LYS 101 2HD LYS 101 -8.341 -6.402 10.164 780 HD3 LYS 101 3HD LYS 101 -7.845 -7.931 9.421 781 HE2 LYS 101 2HE LYS 101 -7.362 -8.940 11.545 782 HE3 LYS 101 3HE LYS 101 -7.651 -7.420 12.407 783 HZ1 LYS 101 3HZ LYS 101 -9.763 -8.754 10.785 784 HZ2 LYS 101 1HZ LYS 101 -9.955 -7.523 11.829 785 HZ3 LYS 101 2HZ LYS 101 -9.580 -9.005 12.399 786 H ALA 102 H ALA 102 -3.871 -5.349 13.515 787 HA ALA 102 HA ALA 102 -4.814 -2.800 14.526 788 HB1 ALA 102 3HB ALA 102 -3.850 -3.591 16.655 789 HB2 ALA 102 1HB ALA 102 -4.810 -4.863 15.878 790 HB3 ALA 102 2HB ALA 102 -3.032 -4.922 15.811 791 H ALA 103 H ALA 103 -1.590 -4.078 13.674 792 HA ALA 103 HA ALA 103 -0.118 -1.743 14.500 793 HB1 ALA 103 3HB ALA 103 1.730 -2.828 13.337 794 HB2 ALA 103 1HB ALA 103 0.844 -4.011 14.309 795 HB3 ALA 103 2HB ALA 103 0.603 -3.963 12.546 796 H LEU 104 H LEU 104 -1.490 -2.781 11.325 797 HA LEU 104 HA LEU 104 -0.450 -0.546 9.863 798 HB2 LEU 104 2HB LEU 104 -1.261 -2.792 8.989 799 HB3 LEU 104 3HB LEU 104 -2.910 -2.229 9.242 800 HG LEU 104 HG LEU 104 -2.523 -0.387 7.603 801 HD11 LEU 104 1HD1 LEU 104 0.235 -1.674 7.342 802 HD12 LEU 104 2HD1 LEU 104 -0.132 0.017 7.778 803 HD13 LEU 104 3HD1 LEU 104 -0.455 -0.565 6.147 804 HD21 LEU 104 3HD2 LEU 104 -2.418 -1.792 5.600 805 HD22 LEU 104 1HD2 LEU 104 -3.378 -2.601 6.846 806 HD23 LEU 104 2HD2 LEU 104 -1.710 -3.129 6.535 807 H LEU 105 H LEU 105 -3.638 -1.052 11.445 808 HA LEU 105 HA LEU 105 -4.634 1.571 10.853 809 HB2 LEU 105 2HB LEU 105 -5.997 -0.421 11.488 810 HB3 LEU 105 3HB LEU 105 -5.351 -0.314 13.126 811 HG LEU 105 HG LEU 105 -6.434 1.905 13.413 812 HD11 LEU 105 1HD1 LEU 105 -8.147 2.635 11.733 813 HD12 LEU 105 2HD1 LEU 105 -7.533 1.403 10.608 814 HD13 LEU 105 3HD1 LEU 105 -6.501 2.758 11.122 815 HD21 LEU 105 3HD2 LEU 105 -7.635 -0.161 14.028 816 HD22 LEU 105 1HD2 LEU 105 -8.325 -0.253 12.392 817 HD23 LEU 105 2HD2 LEU 105 -8.752 1.095 13.470 818 H ARG 106 H ARG 106 -2.584 0.359 13.541 819 HA ARG 106 HA ARG 106 -2.441 2.836 14.988 820 HB2 ARG 106 2HB ARG 106 -1.685 0.918 16.070 821 HB3 ARG 106 3HB ARG 106 -0.627 0.427 14.774 822 HG2 ARG 106 2HG ARG 106 -0.060 2.970 16.322 823 HG3 ARG 106 3HG ARG 106 0.363 1.379 16.954 824 HD2 ARG 106 2HD ARG 106 1.663 0.922 14.838 825 HD3 ARG 106 3HD ARG 106 1.433 2.621 14.390 826 HE ARG 106 HE ARG 106 2.439 2.760 16.950 827 HH11 ARG 106 1HH1 ARG 106 3.718 1.377 13.946 828 HH12 ARG 106 2HH1 ARG 106 5.343 1.411 14.572 829 HH21 ARG 106 1HH2 ARG 106 4.549 2.833 17.587 830 HH22 ARG 106 2HH2 ARG 106 5.802 2.252 16.533 831 H GLU 107 H GLU 107 -0.425 1.712 12.184 832 HA GLU 107 HA GLU 107 1.105 4.146 12.078 833 HB2 GLU 107 2HB GLU 107 0.232 2.671 9.572 834 HB3 GLU 107 3HB GLU 107 1.647 3.664 9.814 835 HG2 GLU 107 2HG GLU 107 1.127 0.882 10.677 836 HG3 GLU 107 3HG GLU 107 2.420 1.484 9.678 837 H LEU 108 H LEU 108 -2.076 3.353 10.685 838 HA LEU 108 HA LEU 108 -2.368 5.829 9.313 839 HB2 LEU 108 2HB LEU 108 -3.608 3.619 9.015 840 HB3 LEU 108 3HB LEU 108 -4.542 4.006 10.442 841 HG LEU 108 HG LEU 108 -5.681 4.356 8.289 842 HD11 LEU 108 1HD1 LEU 108 -6.410 5.576 10.322 843 HD12 LEU 108 2HD1 LEU 108 -6.783 6.415 8.807 844 HD13 LEU 108 3HD1 LEU 108 -5.435 6.969 9.808 845 HD21 LEU 108 3HD2 LEU 108 -5.199 6.273 6.874 846 HD22 LEU 108 1HD2 LEU 108 -3.777 5.218 6.969 847 HD23 LEU 108 2HD2 LEU 108 -3.831 6.738 7.892 848 H SER 109 H SER 109 -3.482 4.902 12.595 849 HA SER 109 HA SER 109 -4.534 7.489 13.243 850 HB2 SER 109 2HB SER 109 -3.496 5.247 15.036 851 HB3 SER 109 3HB SER 109 -4.375 6.675 15.612 852 HG SER 109 HG SER 109 -5.777 4.918 15.316 853 H ASP 110 H ASP 110 -1.242 6.270 13.262 854 HA ASP 110 HA ASP 110 -0.185 8.290 15.033 855 HB2 ASP 110 2HB ASP 110 0.869 6.039 14.423 856 HB3 ASP 110 3HB ASP 110 1.327 6.773 12.877 857 H VAL 111 H VAL 111 -1.404 8.525 11.918 858 HA VAL 111 HA VAL 111 0.309 10.831 11.075 859 HB VAL 111 HB VAL 111 -0.850 8.432 9.634 860 HG11 VAL 111 1HG1 VAL 111 0.186 10.998 8.395 861 HG12 VAL 111 2HG1 VAL 111 0.086 9.453 7.514 862 HG13 VAL 111 3HG1 VAL 111 -1.386 10.209 8.116 863 HG21 VAL 111 3HG2 VAL 111 1.371 8.126 10.625 864 HG22 VAL 111 1HG2 VAL 111 1.562 8.245 8.875 865 HG23 VAL 111 2HG2 VAL 111 1.952 9.635 9.903 866 H VAL 112 H VAL 112 -3.034 9.492 10.997 867 HA VAL 112 HA VAL 112 -4.062 12.245 10.676 868 HB VAL 112 HB VAL 112 -3.660 11.510 8.444 869 HG11 VAL 112 1HG1 VAL 112 -5.601 9.211 8.779 870 HG12 VAL 112 2HG1 VAL 112 -4.659 9.671 7.344 871 HG13 VAL 112 3HG1 VAL 112 -3.832 9.035 8.759 872 HG21 VAL 112 3HG2 VAL 112 -6.648 11.470 8.948 873 HG22 VAL 112 1HG2 VAL 112 -5.638 12.931 8.900 874 HG23 VAL 112 2HG2 VAL 112 -5.811 11.921 7.453 875 HA PRO 113 HA PRO 113 -7.111 10.517 13.513 876 HB2 PRO 113 2HB PRO 113 -8.655 12.976 12.703 877 HB3 PRO 113 3HB PRO 113 -8.359 12.316 14.342 878 HG2 PRO 113 2HG PRO 113 -6.945 14.451 13.462 879 HG3 PRO 113 3HG PRO 113 -6.106 13.126 14.338 880 HD2 PRO 113 2HD PRO 113 -6.274 13.580 11.341 881 HD3 PRO 113 3HD PRO 113 -4.847 13.203 12.359 882 H ASN 114 H ASN 114 -9.045 9.322 13.309 883 HA ASN 114 HA ASN 114 -10.624 9.472 10.841 884 HB2 ASN 114 2HB ASN 114 -10.144 7.332 10.092 885 HB3 ASN 114 3HB ASN 114 -8.573 7.936 10.513 886 HD21 ASN 114 1HD2 ASN 114 -10.833 5.437 11.000 887 HD22 ASN 114 2HD2 ASN 114 -9.910 4.569 12.235 888 H LEU 115 H LEU 115 -12.254 7.497 11.004 889 HA LEU 115 HA LEU 115 -13.900 8.082 13.381 890 HB2 LEU 115 2HB LEU 115 -14.505 6.494 10.857 891 HB3 LEU 115 3HB LEU 115 -15.664 6.969 12.091 892 HG LEU 115 HG LEU 115 -14.150 8.870 10.247 893 HD11 LEU 115 1HD1 LEU 115 -15.899 7.547 9.123 894 HD12 LEU 115 2HD1 LEU 115 -16.351 9.255 9.238 895 HD13 LEU 115 3HD1 LEU 115 -17.087 8.067 10.340 896 HD21 LEU 115 3HD2 LEU 115 -15.692 10.607 11.135 897 HD22 LEU 115 1HD2 LEU 115 -14.606 9.994 12.383 898 HD23 LEU 115 2HD2 LEU 115 -16.298 9.445 12.337 899 H ASN 116 H ASN 116 -11.845 6.821 14.334 900 HA ASN 116 HA ASN 116 -11.370 4.174 13.756 901 HB2 ASN 116 2HB ASN 116 -9.951 5.999 14.983 902 HB3 ASN 116 3HB ASN 116 -10.639 5.333 16.456 903 HD21 ASN 116 1HD2 ASN 116 -8.316 4.922 13.918 904 HD22 ASN 116 2HD2 ASN 116 -7.691 3.377 14.474 Start of MODEL 8 1 H1 MET 1 1H MET 1 -25.938 -14.342 -1.214 2 HA MET 1 HA MET 1 -27.011 -14.874 -3.907 3 HB2 MET 1 2HB MET 1 -25.547 -12.420 -2.834 4 HB3 MET 1 3HB MET 1 -25.825 -12.744 -4.543 5 HG2 MET 1 2HG MET 1 -27.955 -12.288 -2.430 6 HG3 MET 1 3HG MET 1 -27.482 -11.183 -3.708 7 HE1 MET 1 3HE MET 1 -27.316 -12.883 -6.379 8 HE2 MET 1 1HE MET 1 -28.995 -12.731 -6.936 9 HE3 MET 1 2HE MET 1 -28.179 -11.337 -6.199 10 H THR 2 H THR 2 -25.427 -15.156 -5.590 11 HA THR 2 HA THR 2 -23.109 -16.720 -4.743 12 HB THR 2 HB THR 2 -22.790 -16.963 -7.237 13 HG1 THR 2 HG1 THR 2 -24.479 -16.221 -8.529 14 HG21 THR 2 3HG2 THR 2 -24.123 -18.597 -5.923 15 HG22 THR 2 1HG2 THR 2 -24.738 -18.401 -7.572 16 HG23 THR 2 2HG2 THR 2 -25.588 -17.633 -6.213 17 H ASP 3 H ASP 3 -23.569 -13.399 -5.563 18 HA ASP 3 HA ASP 3 -20.681 -12.887 -5.304 19 HB2 ASP 3 2HB ASP 3 -21.284 -13.151 -7.781 20 HB3 ASP 3 3HB ASP 3 -22.278 -11.706 -7.609 21 H SER 4 H SER 4 -20.291 -10.478 -5.089 22 HA SER 4 HA SER 4 -22.498 -9.009 -3.708 23 HB2 SER 4 2HB SER 4 -21.194 -8.732 -1.716 24 HB3 SER 4 3HB SER 4 -21.253 -10.461 -2.073 25 HG SER 4 HG SER 4 -19.136 -9.866 -1.569 26 H GLU 5 H GLU 5 -21.337 -6.869 -2.746 27 HA GLU 5 HA GLU 5 -20.395 -5.198 -4.864 28 HB2 GLU 5 2HB GLU 5 -20.202 -4.830 -1.867 29 HB3 GLU 5 3HB GLU 5 -19.974 -3.588 -3.100 30 HG2 GLU 5 2HG GLU 5 -22.140 -3.165 -2.904 31 HG3 GLU 5 3HG GLU 5 -22.422 -4.607 -3.839 32 H LYS 6 H LYS 6 -18.683 -7.583 -3.162 33 HA LYS 6 HA LYS 6 -16.565 -8.260 -2.926 34 HB2 LYS 6 2HB LYS 6 -15.761 -6.328 -5.118 35 HB3 LYS 6 3HB LYS 6 -14.916 -7.784 -4.603 36 HG2 LYS 6 2HG LYS 6 -16.883 -9.158 -5.368 37 HG3 LYS 6 3HG LYS 6 -17.620 -7.669 -5.998 38 HD2 LYS 6 2HD LYS 6 -15.541 -7.293 -7.374 39 HD3 LYS 6 3HD LYS 6 -14.978 -8.896 -6.892 40 HE2 LYS 6 2HE LYS 6 -17.586 -8.284 -8.368 41 HE3 LYS 6 3HE LYS 6 -16.085 -8.807 -9.138 42 HZ1 LYS 6 3HZ LYS 6 -16.250 -10.880 -7.795 43 HZ2 LYS 6 1HZ LYS 6 -17.518 -10.683 -8.814 44 HZ3 LYS 6 2HZ LYS 6 -17.734 -10.408 -7.247 45 H SER 7 H SER 7 -14.257 -7.696 -2.459 46 HA SER 7 HA SER 7 -14.091 -5.883 -0.238 47 HB2 SER 7 2HB SER 7 -11.852 -7.218 -1.805 48 HB3 SER 7 3HB SER 7 -11.735 -6.526 -0.179 49 HG SER 7 HG SER 7 -13.216 -8.099 0.545 50 H ALA 8 H ALA 8 -12.758 -4.031 0.028 51 HA ALA 8 HA ALA 8 -12.935 -2.294 -2.359 52 HB1 ALA 8 3HB ALA 8 -12.714 -1.570 0.569 53 HB2 ALA 8 1HB ALA 8 -13.132 -0.483 -0.766 54 HB3 ALA 8 2HB ALA 8 -14.236 -1.796 -0.321 55 H THR 9 H THR 9 -10.417 -4.021 -1.613 56 HA THR 9 HA THR 9 -8.336 -1.911 -1.569 57 HB THR 9 HB THR 9 -7.856 -3.887 -0.283 58 HG1 THR 9 HG1 THR 9 -6.122 -2.886 -1.258 59 HG21 THR 9 3HG2 THR 9 -9.082 -5.634 -1.510 60 HG22 THR 9 1HG2 THR 9 -7.372 -6.060 -1.350 61 HG23 THR 9 2HG2 THR 9 -7.993 -5.451 -2.899 62 H ILE 10 H ILE 10 -6.794 -1.626 -3.236 63 HA ILE 10 HA ILE 10 -7.746 -2.322 -5.992 64 HB ILE 10 HB ILE 10 -7.253 -0.073 -6.740 65 HG12 ILE 10 2HG1 ILE 10 -6.718 0.659 -3.827 66 HG13 ILE 10 3HG1 ILE 10 -5.498 0.504 -5.097 67 HG21 ILE 10 1HG2 ILE 10 -9.536 -0.722 -5.918 68 HG22 ILE 10 2HG2 ILE 10 -9.154 0.057 -4.367 69 HG23 ILE 10 3HG2 ILE 10 -9.210 1.010 -5.863 70 HD11 ILE 10 3HD1 ILE 10 -5.991 2.840 -4.780 71 HD12 ILE 10 1HD1 ILE 10 -6.591 2.341 -6.373 72 HD13 ILE 10 2HD1 ILE 10 -7.723 2.572 -5.016 73 H LYS 11 H LYS 11 -6.073 -1.730 -7.685 74 HA LYS 11 HA LYS 11 -3.280 -2.139 -6.767 75 HB2 LYS 11 2HB LYS 11 -2.763 -3.594 -8.611 76 HB3 LYS 11 3HB LYS 11 -4.032 -4.293 -7.605 77 HG2 LYS 11 2HG LYS 11 -5.745 -3.562 -9.278 78 HG3 LYS 11 3HG LYS 11 -4.449 -2.897 -10.292 79 HD2 LYS 11 2HD LYS 11 -3.437 -5.154 -10.482 80 HD3 LYS 11 3HD LYS 11 -4.743 -5.821 -9.477 81 HE2 LYS 11 2HE LYS 11 -6.416 -5.049 -11.150 82 HE3 LYS 11 3HE LYS 11 -5.115 -4.392 -12.150 83 HZ1 LYS 11 3HZ LYS 11 -5.447 -7.266 -11.463 84 HZ2 LYS 11 1HZ LYS 11 -4.242 -6.659 -12.387 85 HZ3 LYS 11 2HZ LYS 11 -5.785 -6.597 -12.911 86 H VAL 12 H VAL 12 -1.694 -1.087 -7.888 87 HA VAL 12 HA VAL 12 -2.521 0.969 -9.897 88 HB VAL 12 HB VAL 12 -1.112 2.638 -8.749 89 HG11 VAL 12 1HG1 VAL 12 -2.707 3.241 -7.023 90 HG12 VAL 12 2HG1 VAL 12 -3.563 2.607 -8.440 91 HG13 VAL 12 3HG1 VAL 12 -3.370 1.596 -6.992 92 HG21 VAL 12 3HG2 VAL 12 -1.094 0.722 -6.375 93 HG22 VAL 12 1HG2 VAL 12 0.315 1.119 -7.381 94 HG23 VAL 12 2HG2 VAL 12 -0.469 2.377 -6.411 95 H THR 13 H THR 13 -0.830 1.928 -11.074 96 HA THR 13 HA THR 13 1.779 0.530 -11.351 97 HB THR 13 HB THR 13 1.516 0.554 -13.810 98 HG1 THR 13 HG1 THR 13 -0.572 0.871 -14.666 99 HG21 THR 13 3HG2 THR 13 0.907 -1.520 -12.540 100 HG22 THR 13 1HG2 THR 13 0.062 -1.347 -14.089 101 HG23 THR 13 2HG2 THR 13 -0.792 -0.996 -12.571 102 H ASP 14 H ASP 14 3.302 1.907 -12.719 103 HA ASP 14 HA ASP 14 3.514 4.408 -11.640 104 HB2 ASP 14 2HB ASP 14 5.280 3.044 -12.807 105 HB3 ASP 14 3HB ASP 14 4.644 3.614 -14.346 106 H ALA 15 H ALA 15 1.675 3.707 -14.562 107 HA ALA 15 HA ALA 15 1.309 6.518 -15.313 108 HB1 ALA 15 3HB ALA 15 0.009 3.954 -16.324 109 HB2 ALA 15 1HB ALA 15 -0.100 5.557 -17.082 110 HB3 ALA 15 2HB ALA 15 1.465 4.727 -16.997 111 H SER 16 H SER 16 -0.379 4.261 -13.213 112 HA SER 16 HA SER 16 -2.846 5.945 -13.173 113 HB2 SER 16 2HB SER 16 -3.910 4.025 -12.086 114 HB3 SER 16 3HB SER 16 -3.287 3.649 -13.695 115 HG SER 16 HG SER 16 -1.769 2.389 -12.863 116 H PHE 17 H PHE 17 -0.185 4.915 -11.139 117 HA PHE 17 HA PHE 17 -1.082 5.244 -8.565 118 HB2 PHE 17 2HB PHE 17 1.183 4.513 -9.469 119 HB3 PHE 17 3HB PHE 17 1.615 6.202 -9.617 120 HD1 PHE 17 HD2 PHE 17 1.500 7.620 -7.351 121 HD2 PHE 17 HD1 PHE 17 1.664 3.315 -7.566 122 HE1 PHE 17 HE2 PHE 17 2.349 7.527 -5.020 123 HE2 PHE 17 HE1 PHE 17 2.586 3.239 -5.268 124 HZ PHE 17 HZ PHE 17 2.910 5.340 -3.987 125 H ALA 18 H ALA 18 -0.037 7.915 -10.746 126 HA ALA 18 HA ALA 18 -0.244 9.896 -8.716 127 HB1 ALA 18 3HB ALA 18 1.137 10.177 -10.722 128 HB2 ALA 18 1HB ALA 18 -0.325 10.206 -11.744 129 HB3 ALA 18 2HB ALA 18 -0.025 11.506 -10.566 130 H THR 19 H THR 19 -2.721 8.578 -10.864 131 HA THR 19 HA THR 19 -4.716 10.604 -10.072 132 HB THR 19 HB THR 19 -5.099 7.990 -11.585 133 HG1 THR 19 HG1 THR 19 -4.957 9.289 -13.419 134 HG21 THR 19 3HG2 THR 19 -7.234 8.924 -10.799 135 HG22 THR 19 1HG2 THR 19 -7.084 9.167 -12.541 136 HG23 THR 19 2HG2 THR 19 -6.794 10.527 -11.431 137 H ASP 20 H ASP 20 -3.831 7.270 -9.170 138 HA ASP 20 HA ASP 20 -6.249 6.975 -7.508 139 HB2 ASP 20 2HB ASP 20 -3.956 5.161 -8.253 140 HB3 ASP 20 3HB ASP 20 -5.070 4.734 -6.958 141 H VAL 21 H VAL 21 -2.839 7.617 -6.888 142 HA VAL 21 HA VAL 21 -3.337 7.604 -3.940 143 HB VAL 21 HB VAL 21 -0.657 7.530 -5.356 144 HG11 VAL 21 1HG1 VAL 21 -1.465 6.851 -2.503 145 HG12 VAL 21 2HG1 VAL 21 0.159 6.719 -3.201 146 HG13 VAL 21 3HG1 VAL 21 -0.585 8.308 -3.016 147 HG21 VAL 21 3HG2 VAL 21 -0.585 5.118 -4.806 148 HG22 VAL 21 1HG2 VAL 21 -2.279 5.185 -4.269 149 HG23 VAL 21 2HG2 VAL 21 -1.852 5.470 -5.973 150 H LEU 22 H LEU 22 -1.590 9.522 -6.451 151 HA LEU 22 HA LEU 22 -1.113 11.627 -4.503 152 HB2 LEU 22 2HB LEU 22 -0.437 11.717 -7.435 153 HB3 LEU 22 3HB LEU 22 0.224 12.706 -6.147 154 HG LEU 22 HG LEU 22 0.616 9.705 -6.443 155 HD11 LEU 22 1HD1 LEU 22 1.830 11.045 -8.127 156 HD12 LEU 22 2HD1 LEU 22 2.936 10.271 -6.982 157 HD13 LEU 22 3HD1 LEU 22 2.570 12.004 -6.828 158 HD21 LEU 22 3HD2 LEU 22 2.320 9.933 -4.664 159 HD22 LEU 22 1HD2 LEU 22 0.708 10.320 -4.058 160 HD23 LEU 22 2HD2 LEU 22 1.855 11.628 -4.434 161 H SER 23 H SER 23 -3.714 11.140 -6.680 162 HA SER 23 HA SER 23 -4.523 13.973 -6.666 163 HB2 SER 23 2HB SER 23 -4.856 12.326 -8.595 164 HB3 SER 23 3HB SER 23 -6.213 11.686 -7.647 165 HG SER 23 HG SER 23 -7.082 13.818 -7.630 166 H SER 24 H SER 24 -4.540 11.750 -4.296 167 HA SER 24 HA SER 24 -7.226 11.429 -3.488 168 HB2 SER 24 2HB SER 24 -5.370 9.937 -2.883 169 HB3 SER 24 3HB SER 24 -4.672 11.216 -1.859 170 HG SER 24 HG SER 24 -5.897 10.022 -0.503 171 H ASN 25 H ASN 25 -8.355 12.112 -1.705 172 HA ASN 25 HA ASN 25 -7.517 14.565 -0.241 173 HB2 ASN 25 2HB ASN 25 -9.355 14.960 -1.969 174 HB3 ASN 25 3HB ASN 25 -10.378 13.882 -1.021 175 HD21 ASN 25 1HD2 ASN 25 -11.899 15.563 -0.574 176 HD22 ASN 25 2HD2 ASN 25 -11.488 16.903 0.489 177 H LYS 26 H LYS 26 -7.243 11.629 0.242 178 HA LYS 26 HA LYS 26 -8.142 11.496 3.045 179 HB2 LYS 26 2HB LYS 26 -9.137 9.266 2.769 180 HB3 LYS 26 3HB LYS 26 -9.987 10.459 1.794 181 HG2 LYS 26 2HG LYS 26 -8.679 9.686 -0.217 182 HG3 LYS 26 3HG LYS 26 -7.964 8.412 0.777 183 HD2 LYS 26 2HD LYS 26 -10.894 8.766 0.014 184 HD3 LYS 26 3HD LYS 26 -9.755 7.568 -0.607 185 HE2 LYS 26 2HE LYS 26 -9.528 6.766 1.829 186 HE3 LYS 26 3HE LYS 26 -10.970 7.735 2.175 187 HZ1 LYS 26 3HZ LYS 26 -12.070 6.417 0.344 188 HZ2 LYS 26 1HZ LYS 26 -11.666 5.494 1.627 189 HZ3 LYS 26 2HZ LYS 26 -10.734 5.456 0.285 190 HA PRO 27 HA PRO 27 -4.246 9.243 3.420 191 HB2 PRO 27 2HB PRO 27 -5.612 7.206 5.144 192 HB3 PRO 27 3HB PRO 27 -4.116 8.136 5.460 193 HG2 PRO 27 2HG PRO 27 -6.444 8.820 6.682 194 HG3 PRO 27 3HG PRO 27 -5.363 10.095 6.027 195 HD2 PRO 27 2HD PRO 27 -7.815 8.876 4.724 196 HD3 PRO 27 3HD PRO 27 -7.403 10.606 4.926 197 H VAL 28 H VAL 28 -3.221 7.706 2.232 198 HA VAL 28 HA VAL 28 -4.712 5.359 1.174 199 HB VAL 28 HB VAL 28 -2.957 7.104 -0.582 200 HG11 VAL 28 1HG1 VAL 28 -2.849 4.725 -1.217 201 HG12 VAL 28 2HG1 VAL 28 -4.622 4.605 -1.159 202 HG13 VAL 28 3HG1 VAL 28 -3.830 5.608 -2.390 203 HG21 VAL 28 3HG2 VAL 28 -5.090 8.224 -0.205 204 HG22 VAL 28 1HG2 VAL 28 -5.045 7.566 -1.842 205 HG23 VAL 28 2HG2 VAL 28 -5.983 6.737 -0.578 206 H LEU 29 H LEU 29 -3.693 3.618 1.822 207 HA LEU 29 HA LEU 29 -0.762 3.606 2.384 208 HB2 LEU 29 2HB LEU 29 -2.611 2.670 3.978 209 HB3 LEU 29 3HB LEU 29 -2.881 1.476 2.768 210 HG LEU 29 HG LEU 29 -0.610 0.570 3.035 211 HD11 LEU 29 1HD1 LEU 29 0.637 2.577 3.752 212 HD12 LEU 29 2HD1 LEU 29 0.804 1.284 4.939 213 HD13 LEU 29 3HD1 LEU 29 -0.304 2.627 5.264 214 HD21 LEU 29 3HD2 LEU 29 -2.117 0.925 5.662 215 HD22 LEU 29 1HD2 LEU 29 -0.939 -0.348 5.286 216 HD23 LEU 29 2HD2 LEU 29 -2.473 -0.287 4.410 217 H VAL 30 H VAL 30 0.672 2.617 0.934 218 HA VAL 30 HA VAL 30 -0.507 0.792 -1.116 219 HB VAL 30 HB VAL 30 1.970 2.391 -1.693 220 HG11 VAL 30 1HG1 VAL 30 1.328 1.833 -4.024 221 HG12 VAL 30 2HG1 VAL 30 1.569 0.379 -3.057 222 HG13 VAL 30 3HG1 VAL 30 -0.078 0.941 -3.428 223 HG21 VAL 30 3HG2 VAL 30 0.591 3.904 -3.077 224 HG22 VAL 30 1HG2 VAL 30 -0.884 3.185 -2.397 225 HG23 VAL 30 2HG2 VAL 30 0.239 4.090 -1.360 226 H ASP 31 H ASP 31 0.235 -1.205 -1.142 227 HA ASP 31 HA ASP 31 2.744 -1.895 0.333 228 HB2 ASP 31 2HB ASP 31 0.658 -3.004 1.046 229 HB3 ASP 31 3HB ASP 31 0.445 -3.644 -0.584 230 H PHE 32 H PHE 32 4.503 -2.501 -0.737 231 HA PHE 32 HA PHE 32 4.406 -2.942 -3.683 232 HB2 PHE 32 2HB PHE 32 6.589 -2.094 -1.760 233 HB3 PHE 32 3HB PHE 32 6.927 -2.675 -3.376 234 HD1 PHE 32 HD1 PHE 32 4.360 -0.207 -1.984 235 HD2 PHE 32 HD2 PHE 32 7.573 -0.950 -4.772 236 HE1 PHE 32 HE1 PHE 32 4.018 2.020 -2.978 237 HE2 PHE 32 HE2 PHE 32 7.261 1.325 -5.710 238 HZ PHE 32 HZ PHE 32 5.470 2.809 -4.822 239 H TRP 33 H TRP 33 4.450 -4.971 -4.401 240 HA TRP 33 HA TRP 33 5.728 -7.135 -2.834 241 HB2 TRP 33 2HB TRP 33 3.829 -8.431 -2.571 242 HB3 TRP 33 3HB TRP 33 3.408 -6.851 -1.969 243 HD1 TRP 33 HD1 TRP 33 2.725 -6.047 -5.263 244 HE1 TRP 33 HE1 TRP 33 0.399 -6.690 -6.104 245 HE3 TRP 33 HE3 TRP 33 1.557 -9.552 -1.731 246 HZ2 TRP 33 HZ2 TRP 33 -1.756 -8.422 -5.275 247 HZ3 TRP 33 HZ3 TRP 33 -0.621 -10.753 -1.844 248 HH2 TRP 33 HH2 TRP 33 -2.305 -10.147 -3.554 249 H ALA 34 H ALA 34 5.499 -9.296 -3.897 250 HA ALA 34 HA ALA 34 5.580 -9.153 -6.872 251 HB1 ALA 34 3HB ALA 34 7.540 -10.607 -6.852 252 HB2 ALA 34 1HB ALA 34 7.888 -9.149 -5.913 253 HB3 ALA 34 2HB ALA 34 7.524 -10.671 -5.075 254 H THR 35 H THR 35 5.643 -11.567 -7.718 255 HA THR 35 HA THR 35 3.106 -12.727 -7.065 256 HB THR 35 HB THR 35 3.856 -14.525 -8.663 257 HG1 THR 35 HG1 THR 35 5.826 -14.162 -9.710 258 HG21 THR 35 3HG2 THR 35 4.324 -11.674 -9.654 259 HG22 THR 35 1HG2 THR 35 2.738 -12.456 -9.477 260 HG23 THR 35 2HG2 THR 35 3.912 -13.093 -10.641 261 H TRP 36 H TRP 36 6.299 -13.436 -5.861 262 HA TRP 36 HA TRP 36 5.567 -16.181 -5.021 263 HB2 TRP 36 2HB TRP 36 8.044 -16.455 -5.037 264 HB3 TRP 36 3HB TRP 36 7.368 -15.954 -6.577 265 HD1 TRP 36 HD1 TRP 36 8.149 -13.719 -7.606 266 HE1 TRP 36 HE1 TRP 36 9.869 -11.913 -6.990 267 HE3 TRP 36 HE3 TRP 36 9.323 -15.283 -2.863 268 HZ2 TRP 36 HZ2 TRP 36 11.412 -11.140 -4.682 269 HZ3 TRP 36 HZ3 TRP 36 10.901 -13.965 -1.466 270 HH2 TRP 36 HH2 TRP 36 11.938 -11.891 -2.357 271 H CYS 37 H CYS 37 6.035 -13.166 -3.412 272 HA CYS 37 HA CYS 37 7.722 -14.174 -1.330 273 HB2 CYS 37 2HB CYS 37 7.245 -11.831 -0.341 274 HB3 CYS 37 3HB CYS 37 8.209 -12.056 -1.787 275 H GLY 38 H GLY 38 7.360 -15.176 0.458 276 HA2 GLY 38 2HA GLY 38 4.898 -16.036 1.474 277 HA3 GLY 38 3HA GLY 38 6.405 -15.961 2.390 278 HA PRO 39 HA PRO 39 4.819 -12.724 4.897 279 HB2 PRO 39 2HB PRO 39 6.502 -10.539 4.863 280 HB3 PRO 39 3HB PRO 39 6.872 -12.095 5.664 281 HG2 PRO 39 2HG PRO 39 7.719 -11.156 2.914 282 HG3 PRO 39 3HG PRO 39 8.730 -11.896 4.194 283 HD2 PRO 39 2HD PRO 39 7.753 -13.364 2.145 284 HD3 PRO 39 3HD PRO 39 7.805 -14.049 3.795 285 H CYS 40 H CYS 40 5.411 -11.588 1.566 286 HA CYS 40 HA CYS 40 3.675 -9.278 1.834 287 HB2 CYS 40 2HB CYS 40 4.078 -8.830 -0.357 288 HB3 CYS 40 3HB CYS 40 5.559 -9.603 0.171 289 H LYS 41 H LYS 41 3.189 -12.642 0.634 290 HA LYS 41 HA LYS 41 0.316 -12.319 0.228 291 HB2 LYS 41 2HB LYS 41 2.276 -14.602 0.268 292 HB3 LYS 41 3HB LYS 41 0.592 -14.979 0.590 293 HG2 LYS 41 2HG LYS 41 1.136 -15.228 -1.792 294 HG3 LYS 41 3HG LYS 41 -0.155 -14.066 -1.484 295 HD2 LYS 41 2HD LYS 41 1.470 -12.196 -1.804 296 HD3 LYS 41 3HD LYS 41 2.732 -13.380 -2.199 297 HE2 LYS 41 2HE LYS 41 1.596 -14.078 -4.179 298 HE3 LYS 41 3HE LYS 41 0.071 -13.351 -3.660 299 HZ1 LYS 41 3HZ LYS 41 2.486 -11.790 -4.430 300 HZ2 LYS 41 1HZ LYS 41 1.050 -11.158 -3.953 301 HZ3 LYS 41 2HZ LYS 41 1.142 -11.993 -5.348 302 H MET 42 H MET 42 2.254 -13.103 3.081 303 HA MET 42 HA MET 42 0.041 -13.799 4.748 304 HB2 MET 42 2HB MET 42 2.467 -14.262 5.192 305 HB3 MET 42 3HB MET 42 2.667 -12.553 5.619 306 HG2 MET 42 2HG MET 42 1.069 -12.799 7.461 307 HG3 MET 42 3HG MET 42 0.700 -14.447 6.949 308 HE1 MET 42 3HE MET 42 4.643 -13.105 9.001 309 HE2 MET 42 1HE MET 42 4.250 -12.586 7.350 310 HE3 MET 42 2HE MET 42 3.235 -12.059 8.715 311 H VAL 43 H VAL 43 1.447 -10.528 4.035 312 HA VAL 43 HA VAL 43 -0.497 -9.276 5.850 313 HB VAL 43 HB VAL 43 0.315 -7.151 5.114 314 HG11 VAL 43 1HG1 VAL 43 1.481 -8.423 6.899 315 HG12 VAL 43 2HG1 VAL 43 2.655 -8.988 5.695 316 HG13 VAL 43 3HG1 VAL 43 2.509 -7.248 6.042 317 HG21 VAL 43 3HG2 VAL 43 2.230 -8.595 3.269 318 HG22 VAL 43 1HG2 VAL 43 0.865 -7.592 2.741 319 HG23 VAL 43 2HG2 VAL 43 2.214 -6.859 3.617 320 H ALA 44 H ALA 44 -0.488 -10.084 2.428 321 HA ALA 44 HA ALA 44 -2.156 -8.291 1.314 322 HB1 ALA 44 3HB ALA 44 -1.101 -10.179 0.202 323 HB2 ALA 44 1HB ALA 44 -2.307 -11.290 0.879 324 HB3 ALA 44 2HB ALA 44 -2.808 -10.020 -0.259 325 HA PRO 45 HA PRO 45 -6.315 -10.193 2.843 326 HB2 PRO 45 2HB PRO 45 -6.354 -11.583 5.221 327 HB3 PRO 45 3HB PRO 45 -6.200 -12.348 3.611 328 HG2 PRO 45 2HG PRO 45 -3.971 -11.603 5.535 329 HG3 PRO 45 3HG PRO 45 -4.234 -13.170 4.698 330 HD2 PRO 45 2HD PRO 45 -2.516 -11.389 3.707 331 HD3 PRO 45 3HD PRO 45 -3.612 -12.251 2.598 332 H VAL 46 H VAL 46 -3.813 -8.993 5.095 333 HA VAL 46 HA VAL 46 -5.668 -7.526 6.798 334 HB VAL 46 HB VAL 46 -2.697 -6.992 6.376 335 HG11 VAL 46 1HG1 VAL 46 -3.855 -5.128 7.436 336 HG12 VAL 46 2HG1 VAL 46 -4.638 -6.245 8.561 337 HG13 VAL 46 3HG1 VAL 46 -2.868 -5.982 8.622 338 HG21 VAL 46 3HG2 VAL 46 -4.091 -8.747 8.450 339 HG22 VAL 46 1HG2 VAL 46 -3.003 -9.317 7.164 340 HG23 VAL 46 2HG2 VAL 46 -2.369 -8.299 8.456 341 H LEU 47 H LEU 47 -3.910 -6.816 3.787 342 HA LEU 47 HA LEU 47 -4.552 -3.997 3.665 343 HB2 LEU 47 2HB LEU 47 -4.179 -5.733 1.198 344 HB3 LEU 47 3HB LEU 47 -3.748 -4.049 1.425 345 HG LEU 47 HG LEU 47 -2.487 -6.455 2.698 346 HD11 LEU 47 1HD1 LEU 47 -2.014 -6.281 0.282 347 HD12 LEU 47 2HD1 LEU 47 -0.542 -5.968 1.213 348 HD13 LEU 47 3HD1 LEU 47 -1.451 -4.614 0.502 349 HD21 LEU 47 3HD2 LEU 47 -0.628 -4.929 3.410 350 HD22 LEU 47 1HD2 LEU 47 -2.164 -4.498 4.169 351 HD23 LEU 47 2HD2 LEU 47 -1.557 -3.543 2.798 352 H GLU 48 H GLU 48 -5.961 -6.892 2.141 353 HA GLU 48 HA GLU 48 -8.273 -5.728 0.956 354 HB2 GLU 48 2HB GLU 48 -7.364 -8.061 0.662 355 HB3 GLU 48 3HB GLU 48 -7.977 -8.472 2.262 356 HG2 GLU 48 2HG GLU 48 -10.287 -7.980 1.498 357 HG3 GLU 48 3HG GLU 48 -9.655 -7.524 -0.090 358 H GLU 49 H GLU 49 -7.631 -6.812 4.282 359 HA GLU 49 HA GLU 49 -10.442 -6.485 5.026 360 HB2 GLU 49 2HB GLU 49 -7.986 -7.184 6.633 361 HB3 GLU 49 3HB GLU 49 -9.483 -6.710 7.432 362 HG2 GLU 49 2HG GLU 49 -10.758 -8.450 6.331 363 HG3 GLU 49 3HG GLU 49 -9.375 -8.944 5.369 364 H ILE 50 H ILE 50 -7.512 -4.519 5.888 365 HA ILE 50 HA ILE 50 -9.004 -2.486 7.256 366 HB ILE 50 HB ILE 50 -6.397 -2.498 5.748 367 HG12 ILE 50 2HG1 ILE 50 -6.412 -3.837 7.823 368 HG13 ILE 50 3HG1 ILE 50 -5.303 -2.485 7.922 369 HG21 ILE 50 1HG2 ILE 50 -7.531 -0.173 7.339 370 HG22 ILE 50 2HG2 ILE 50 -5.802 -0.346 6.951 371 HG23 ILE 50 3HG2 ILE 50 -6.978 -0.199 5.653 372 HD11 ILE 50 3HD1 ILE 50 -6.458 -2.750 10.031 373 HD12 ILE 50 1HD1 ILE 50 -6.951 -1.221 9.310 374 HD13 ILE 50 2HD1 ILE 50 -8.043 -2.628 9.251 375 H ALA 51 H ALA 51 -8.237 -2.845 3.739 376 HA ALA 51 HA ALA 51 -9.359 -0.322 2.973 377 HB1 ALA 51 3HB ALA 51 -9.492 -1.310 0.742 378 HB2 ALA 51 1HB ALA 51 -7.947 -1.721 1.487 379 HB3 ALA 51 2HB ALA 51 -9.235 -2.939 1.410 380 H THR 52 H THR 52 -10.881 -3.594 3.350 381 HA THR 52 HA THR 52 -13.473 -2.625 2.436 382 HB THR 52 HB THR 52 -12.720 -5.221 3.811 383 HG1 THR 52 HG1 THR 52 -11.615 -5.183 2.008 384 HG21 THR 52 3HG2 THR 52 -15.169 -4.918 3.786 385 HG22 THR 52 1HG2 THR 52 -14.696 -6.114 2.573 386 HG23 THR 52 2HG2 THR 52 -15.113 -4.461 2.067 387 H GLU 53 H GLU 53 -11.957 -3.022 5.643 388 HA GLU 53 HA GLU 53 -14.534 -2.654 7.019 389 HB2 GLU 53 2HB GLU 53 -11.695 -2.917 8.089 390 HB3 GLU 53 3HB GLU 53 -13.154 -2.766 9.069 391 HG2 GLU 53 2HG GLU 53 -14.011 -4.809 7.634 392 HG3 GLU 53 3HG GLU 53 -12.323 -5.101 7.335 393 H ARG 54 H ARG 54 -11.968 -0.517 6.007 394 HA ARG 54 HA ARG 54 -13.306 1.767 7.422 395 HB2 ARG 54 2HB ARG 54 -10.319 1.336 7.114 396 HB3 ARG 54 3HB ARG 54 -11.104 2.709 7.896 397 HG2 ARG 54 2HG ARG 54 -11.278 -0.151 8.923 398 HG3 ARG 54 3HG ARG 54 -10.146 1.068 9.489 399 HD2 ARG 54 2HD ARG 54 -11.965 2.523 10.224 400 HD3 ARG 54 3HD ARG 54 -13.175 1.413 9.600 401 HE ARG 54 HE ARG 54 -11.467 1.054 12.001 402 HH11 ARG 54 1HH2 ARG 54 -13.986 -0.396 9.999 403 HH12 ARG 54 2HH2 ARG 54 -14.465 -1.479 11.280 404 HH21 ARG 54 1HH1 ARG 54 -12.125 -0.393 13.539 405 HH22 ARG 54 2HH1 ARG 54 -13.425 -1.496 13.202 406 H ALA 55 H ALA 55 -13.614 0.827 4.654 407 HA ALA 55 HA ALA 55 -12.302 2.251 2.706 408 HB1 ALA 55 3HB ALA 55 -15.297 1.646 2.825 409 HB2 ALA 55 1HB ALA 55 -14.338 1.925 1.357 410 HB3 ALA 55 2HB ALA 55 -14.042 0.489 2.347 411 H THR 56 H THR 56 -14.821 3.576 4.834 412 HA THR 56 HA THR 56 -15.199 6.043 3.329 413 HB THR 56 HB THR 56 -16.529 6.691 5.392 414 HG1 THR 56 HG1 THR 56 -16.931 5.028 6.855 415 HG21 THR 56 3HG2 THR 56 -17.259 4.013 4.118 416 HG22 THR 56 1HG2 THR 56 -17.591 5.614 3.422 417 HG23 THR 56 2HG2 THR 56 -18.366 5.136 4.941 418 H ASP 57 H ASP 57 -12.882 5.033 5.686 419 HA ASP 57 HA ASP 57 -12.121 7.859 6.320 420 HB2 ASP 57 2HB ASP 57 -11.390 5.212 7.605 421 HB3 ASP 57 3HB ASP 57 -10.634 6.746 8.015 422 H LEU 58 H LEU 58 -10.800 4.812 4.944 423 HA LEU 58 HA LEU 58 -8.660 6.370 3.618 424 HB2 LEU 58 2HB LEU 58 -6.878 4.978 4.389 425 HB3 LEU 58 3HB LEU 58 -7.621 5.850 5.683 426 HG LEU 58 HG LEU 58 -6.781 3.478 6.067 427 HD11 LEU 58 1HD1 LEU 58 -9.616 4.062 6.923 428 HD12 LEU 58 2HD1 LEU 58 -8.168 4.752 7.677 429 HD13 LEU 58 3HD1 LEU 58 -8.450 3.006 7.748 430 HD21 LEU 58 3HD2 LEU 58 -8.294 1.624 5.756 431 HD22 LEU 58 1HD2 LEU 58 -7.809 2.294 4.192 432 HD23 LEU 58 2HD2 LEU 58 -9.428 2.628 4.870 433 H THR 59 H THR 59 -7.248 4.933 2.236 434 HA THR 59 HA THR 59 -8.718 2.623 1.021 435 HB THR 59 HB THR 59 -7.152 4.748 -0.489 436 HG1 THR 59 HG1 THR 59 -9.194 5.070 -1.472 437 HG21 THR 59 3HG2 THR 59 -8.003 3.573 -2.524 438 HG22 THR 59 1HG2 THR 59 -8.614 2.262 -1.491 439 HG23 THR 59 2HG2 THR 59 -6.866 2.586 -1.610 440 H VAL 60 H VAL 60 -7.402 0.831 0.507 441 HA VAL 60 HA VAL 60 -4.469 1.187 0.863 442 HB VAL 60 HB VAL 60 -5.838 -1.368 1.640 443 HG11 VAL 60 1HG1 VAL 60 -3.622 -1.899 2.623 444 HG12 VAL 60 2HG1 VAL 60 -3.610 -1.772 0.860 445 HG13 VAL 60 3HG1 VAL 60 -2.959 -0.456 1.836 446 HG21 VAL 60 3HG2 VAL 60 -5.207 -0.804 3.971 447 HG22 VAL 60 1HG2 VAL 60 -4.854 0.855 3.439 448 HG23 VAL 60 2HG2 VAL 60 -6.494 0.204 3.306 449 H ALA 61 H ALA 61 -3.310 0.687 -0.761 450 HA ALA 61 HA ALA 61 -4.449 -0.679 -3.145 451 HB1 ALA 61 3HB ALA 61 -4.263 1.806 -3.321 452 HB2 ALA 61 1HB ALA 61 -2.537 1.691 -2.944 453 HB3 ALA 61 2HB ALA 61 -3.160 0.985 -4.447 454 H LYS 62 H LYS 62 -2.816 -1.556 -4.621 455 HA LYS 62 HA LYS 62 -0.318 -2.545 -3.286 456 HB2 LYS 62 2HB LYS 62 -2.311 -4.143 -4.924 457 HB3 LYS 62 3HB LYS 62 -0.749 -4.741 -4.340 458 HG2 LYS 62 2HG LYS 62 -1.424 -4.385 -2.007 459 HG3 LYS 62 3HG LYS 62 -2.986 -3.741 -2.504 460 HD2 LYS 62 2HD LYS 62 -1.965 -6.552 -2.951 461 HD3 LYS 62 3HD LYS 62 -3.188 -6.054 -1.780 462 HE2 LYS 62 2HE LYS 62 -3.442 -6.097 -4.812 463 HE3 LYS 62 3HE LYS 62 -4.300 -7.096 -3.641 464 HZ1 LYS 62 3HZ LYS 62 -4.675 -4.168 -4.063 465 HZ2 LYS 62 1HZ LYS 62 -5.349 -4.961 -2.811 466 HZ3 LYS 62 2HZ LYS 62 -5.756 -5.355 -4.347 467 H LEU 63 H LEU 63 1.448 -2.675 -4.434 468 HA LEU 63 HA LEU 63 1.381 -2.040 -7.359 469 HB2 LEU 63 2HB LEU 63 2.163 -0.105 -6.114 470 HB3 LEU 63 3HB LEU 63 3.382 -1.061 -5.293 471 HG LEU 63 HG LEU 63 4.174 0.414 -7.127 472 HD11 LEU 63 1HD1 LEU 63 4.916 -2.401 -7.867 473 HD12 LEU 63 2HD1 LEU 63 5.445 -1.641 -6.354 474 HD13 LEU 63 3HD1 LEU 63 5.893 -0.942 -7.919 475 HD21 LEU 63 3HD2 LEU 63 2.453 0.194 -8.782 476 HD22 LEU 63 1HD2 LEU 63 2.815 -1.531 -9.017 477 HD23 LEU 63 2HD2 LEU 63 3.992 -0.319 -9.486 478 H ASP 64 H ASP 64 2.207 -3.537 -8.587 479 HA ASP 64 HA ASP 64 3.588 -5.868 -7.371 480 HB2 ASP 64 2HB ASP 64 1.599 -6.231 -8.780 481 HB3 ASP 64 3HB ASP 64 2.477 -5.573 -10.159 482 H VAL 65 H VAL 65 5.703 -5.678 -7.197 483 HA VAL 65 HA VAL 65 7.221 -3.764 -8.726 484 HB VAL 65 HB VAL 65 9.103 -4.363 -7.414 485 HG11 VAL 65 1HG1 VAL 65 8.289 -4.080 -5.142 486 HG12 VAL 65 2HG1 VAL 65 7.394 -3.046 -6.268 487 HG13 VAL 65 3HG1 VAL 65 6.650 -4.531 -5.634 488 HG21 VAL 65 3HG2 VAL 65 9.067 -6.798 -7.478 489 HG22 VAL 65 1HG2 VAL 65 9.141 -6.230 -5.810 490 HG23 VAL 65 2HG2 VAL 65 7.610 -6.831 -6.473 491 H ASP 66 H ASP 66 6.377 -6.984 -9.500 492 HA ASP 66 HA ASP 66 8.783 -7.447 -11.185 493 HB2 ASP 66 2HB ASP 66 7.975 -9.271 -9.725 494 HB3 ASP 66 3HB ASP 66 6.428 -9.264 -10.575 495 H THR 67 H THR 67 5.207 -7.035 -11.501 496 HA THR 67 HA THR 67 5.468 -6.981 -14.451 497 HB THR 67 HB THR 67 3.091 -6.812 -14.572 498 HG1 THR 67 HG1 THR 67 1.838 -6.758 -12.724 499 HG21 THR 67 3HG2 THR 67 4.083 -9.067 -14.194 500 HG22 THR 67 1HG2 THR 67 2.434 -8.921 -13.563 501 HG23 THR 67 2HG2 THR 67 3.814 -8.874 -12.447 502 H ASN 68 H ASN 68 5.237 -4.594 -11.876 503 HA ASN 68 HA ASN 68 5.681 -2.536 -13.977 504 HB2 ASN 68 2HB ASN 68 3.323 -2.426 -13.093 505 HB3 ASN 68 3HB ASN 68 3.992 -2.010 -11.510 506 HD21 ASN 68 1HD2 ASN 68 3.965 -1.016 -14.968 507 HD22 ASN 68 2HD2 ASN 68 4.296 0.673 -14.634 508 HA PRO 69 HA PRO 69 9.168 -2.492 -10.911 509 HB2 PRO 69 2HB PRO 69 11.218 -2.428 -12.729 510 HB3 PRO 69 3HB PRO 69 10.443 -3.943 -12.175 511 HG2 PRO 69 2HG PRO 69 9.824 -2.353 -14.689 512 HG3 PRO 69 3HG PRO 69 10.151 -4.112 -14.546 513 HD2 PRO 69 2HD PRO 69 7.623 -3.161 -14.634 514 HD3 PRO 69 3HD PRO 69 8.044 -4.515 -13.546 515 H GLU 70 H GLU 70 7.997 -0.497 -13.514 516 HA GLU 70 HA GLU 70 9.748 1.731 -13.302 517 HB2 GLU 70 2HB GLU 70 6.814 1.570 -14.095 518 HB3 GLU 70 3HB GLU 70 7.826 3.000 -14.304 519 HG2 GLU 70 2HG GLU 70 8.330 0.300 -15.604 520 HG3 GLU 70 3HG GLU 70 7.593 1.691 -16.383 521 H THR 71 H THR 71 6.703 1.085 -11.435 522 HA THR 71 HA THR 71 7.058 3.500 -9.832 523 HB THR 71 HB THR 71 5.565 1.082 -8.982 524 HG1 THR 71 HG1 THR 71 4.685 1.583 -10.942 525 HG21 THR 71 3HG2 THR 71 5.683 2.732 -7.231 526 HG22 THR 71 1HG2 THR 71 4.056 2.766 -7.903 527 HG23 THR 71 2HG2 THR 71 5.216 4.031 -8.359 528 H ALA 72 H ALA 72 8.142 0.125 -9.577 529 HA ALA 72 HA ALA 72 8.958 0.138 -6.847 530 HB1 ALA 72 3HB ALA 72 10.134 -1.460 -9.159 531 HB2 ALA 72 1HB ALA 72 10.182 -1.878 -7.454 532 HB3 ALA 72 2HB ALA 72 8.630 -1.873 -8.305 533 H ARG 73 H ARG 73 10.781 1.021 -9.823 534 HA ARG 73 HA ARG 73 13.048 2.051 -8.265 535 HB2 ARG 73 2HB ARG 73 14.048 2.675 -10.306 536 HB3 ARG 73 3HB ARG 73 13.341 1.075 -10.513 537 HG2 ARG 73 2HG ARG 73 11.408 2.120 -11.709 538 HG3 ARG 73 3HG ARG 73 12.180 3.706 -11.541 539 HD2 ARG 73 2HD ARG 73 14.171 2.769 -12.803 540 HD3 ARG 73 3HD ARG 73 13.257 1.279 -13.037 541 HE ARG 73 HE ARG 73 11.896 2.304 -14.631 542 HH11 ARG 73 1HH2 ARG 73 13.977 4.785 -13.253 543 HH12 ARG 73 2HH2 ARG 73 13.507 5.955 -14.455 544 HH21 ARG 73 2HH1 ARG 73 11.258 3.871 -16.033 545 HH22 ARG 73 1HH1 ARG 73 12.037 5.437 -16.009 546 H ASN 74 H ASN 74 10.035 3.475 -9.387 547 HA ASN 74 HA ASN 74 10.732 6.215 -9.161 548 HB2 ASN 74 2HB ASN 74 8.497 5.013 -9.976 549 HB3 ASN 74 3HB ASN 74 8.012 5.160 -8.311 550 HD21 ASN 74 2HD2 ASN 74 6.851 6.460 -10.728 551 HD22 ASN 74 1HD2 ASN 74 6.941 8.173 -10.335 552 H PHE 75 H PHE 75 9.446 3.986 -6.668 553 HA PHE 75 HA PHE 75 10.152 5.922 -4.522 554 HB2 PHE 75 2HB PHE 75 8.317 3.520 -4.537 555 HB3 PHE 75 3HB PHE 75 8.699 4.466 -3.102 556 HD1 PHE 75 HD2 PHE 75 8.049 6.872 -2.923 557 HD2 PHE 75 HD1 PHE 75 6.797 4.420 -6.233 558 HE1 PHE 75 HE2 PHE 75 6.349 8.576 -3.543 559 HE2 PHE 75 HE1 PHE 75 5.073 6.110 -6.837 560 HZ PHE 75 HZ PHE 75 4.860 8.195 -5.500 561 H GLN 76 H GLN 76 11.854 3.627 -5.996 562 HA GLN 76 HA GLN 76 13.588 2.260 -5.470 563 HB2 GLN 76 2HB GLN 76 14.082 4.440 -3.410 564 HB3 GLN 76 3HB GLN 76 15.265 3.243 -3.957 565 HG2 GLN 76 2HG GLN 76 15.028 4.106 -6.296 566 HG3 GLN 76 3HG GLN 76 13.923 5.353 -5.708 567 HE21 GLN 76 1HE2 GLN 76 17.323 4.191 -5.516 568 HE22 GLN 76 2HE2 GLN 76 17.953 5.740 -4.973 569 H VAL 77 H VAL 77 11.753 0.792 -4.754 570 HA VAL 77 HA VAL 77 11.745 -0.041 -1.967 571 HB VAL 77 HB VAL 77 9.875 -0.483 -3.521 572 HG11 VAL 77 1HG1 VAL 77 11.575 -2.739 -4.662 573 HG12 VAL 77 2HG1 VAL 77 9.907 -2.305 -5.082 574 HG13 VAL 77 3HG1 VAL 77 11.242 -1.216 -5.505 575 HG21 VAL 77 3HG2 VAL 77 10.183 -1.736 -1.397 576 HG22 VAL 77 1HG2 VAL 77 9.319 -2.659 -2.638 577 HG23 VAL 77 2HG2 VAL 77 11.017 -3.024 -2.292 578 H VAL 78 H VAL 78 12.866 -1.645 -0.994 579 HA VAL 78 HA VAL 78 15.264 -2.777 -2.414 580 HB VAL 78 HB VAL 78 15.183 -1.708 0.430 581 HG11 VAL 78 1HG1 VAL 78 17.489 -2.837 -1.220 582 HG12 VAL 78 2HG1 VAL 78 17.646 -2.049 0.365 583 HG13 VAL 78 3HG1 VAL 78 16.774 -3.575 0.233 584 HG21 VAL 78 3HG2 VAL 78 16.782 0.004 -0.421 585 HG22 VAL 78 1HG2 VAL 78 16.527 -0.598 -2.075 586 HG23 VAL 78 2HG2 VAL 78 15.195 0.153 -1.170 587 H SER 79 H SER 79 13.051 -3.227 0.361 588 HA SER 79 HA SER 79 13.462 -6.186 0.197 589 HB2 SER 79 2HB SER 79 12.931 -4.483 2.649 590 HB3 SER 79 3HB SER 79 12.970 -6.256 2.619 591 HG SER 79 HG SER 79 14.985 -5.357 3.268 592 H ILE 80 H ILE 80 11.603 -7.479 0.836 593 HA ILE 80 HA ILE 80 9.015 -6.153 0.161 594 HB ILE 80 HB ILE 80 9.986 -8.825 -0.892 595 HG12 ILE 80 2HG1 ILE 80 9.696 -6.146 -2.339 596 HG13 ILE 80 3HG1 ILE 80 11.221 -6.939 -1.944 597 HG21 ILE 80 1HG2 ILE 80 7.495 -7.171 -1.500 598 HG22 ILE 80 2HG2 ILE 80 7.934 -8.700 -2.284 599 HG23 ILE 80 3HG2 ILE 80 7.529 -8.693 -0.578 600 HD11 ILE 80 3HD1 ILE 80 10.553 -8.887 -3.381 601 HD12 ILE 80 1HD1 ILE 80 9.171 -7.914 -3.949 602 HD13 ILE 80 2HD1 ILE 80 10.824 -7.356 -4.235 603 HA PRO 81 HA PRO 81 6.862 -6.255 0.544 604 HB2 PRO 81 2HB PRO 81 5.062 -5.642 2.477 605 HB3 PRO 81 3HB PRO 81 4.982 -7.156 1.525 606 HG2 PRO 81 2HG PRO 81 6.181 -6.736 4.284 607 HG3 PRO 81 3HG PRO 81 5.027 -8.009 3.767 608 HD2 PRO 81 2HD PRO 81 7.715 -8.463 3.875 609 HD3 PRO 81 3HD PRO 81 6.699 -9.172 2.585 610 H THR 82 H THR 82 6.784 -4.051 0.531 611 HA THR 82 HA THR 82 7.775 -2.485 2.877 612 HB THR 82 HB THR 82 8.386 -1.975 -0.043 613 HG1 THR 82 HG1 THR 82 9.986 -3.080 0.978 614 HG21 THR 82 3HG2 THR 82 7.667 0.200 0.826 615 HG22 THR 82 1HG2 THR 82 9.424 0.166 0.692 616 HG23 THR 82 2HG2 THR 82 8.662 -0.024 2.287 617 H LEU 83 H LEU 83 6.447 -0.935 3.528 618 HA LEU 83 HA LEU 83 3.912 -0.406 2.039 619 HB2 LEU 83 2HB LEU 83 4.590 -0.573 4.983 620 HB3 LEU 83 3HB LEU 83 3.136 0.240 4.423 621 HG LEU 83 HG LEU 83 3.662 -2.618 3.543 622 HD11 LEU 83 1HD1 LEU 83 2.475 -1.703 6.191 623 HD12 LEU 83 2HD1 LEU 83 3.933 -2.691 5.955 624 HD13 LEU 83 3HD1 LEU 83 2.347 -3.356 5.534 625 HD21 LEU 83 3HD2 LEU 83 1.221 -2.696 3.459 626 HD22 LEU 83 1HD2 LEU 83 1.789 -1.297 2.531 627 HD23 LEU 83 2HD2 LEU 83 1.106 -1.066 4.154 628 H ILE 84 H ILE 84 3.385 1.670 1.619 629 HA ILE 84 HA ILE 84 4.886 3.880 2.917 630 HB ILE 84 HB ILE 84 6.056 3.560 0.850 631 HG12 ILE 84 2HG1 ILE 84 5.515 5.714 -0.414 632 HG13 ILE 84 3HG1 ILE 84 4.207 5.978 0.736 633 HG21 ILE 84 1HG2 ILE 84 4.458 2.282 -0.456 634 HG22 ILE 84 2HG2 ILE 84 3.399 3.697 -0.595 635 HG23 ILE 84 3HG2 ILE 84 4.996 3.691 -1.369 636 HD11 ILE 84 3HD1 ILE 84 6.240 7.206 1.369 637 HD12 ILE 84 1HD1 ILE 84 5.892 5.967 2.584 638 HD13 ILE 84 2HD1 ILE 84 7.176 5.698 1.388 639 H LEU 85 H LEU 85 3.574 5.336 3.727 640 HA LEU 85 HA LEU 85 0.678 5.233 3.030 641 HB2 LEU 85 2HB LEU 85 1.238 4.562 5.317 642 HB3 LEU 85 3HB LEU 85 2.115 6.066 5.564 643 HG LEU 85 HG LEU 85 0.028 7.362 5.386 644 HD11 LEU 85 1HD1 LEU 85 -1.393 4.684 5.113 645 HD12 LEU 85 2HD1 LEU 85 -1.303 5.962 3.879 646 HD13 LEU 85 3HD1 LEU 85 -2.164 6.265 5.378 647 HD21 LEU 85 3HD2 LEU 85 -1.012 6.576 7.477 648 HD22 LEU 85 1HD2 LEU 85 0.753 6.513 7.583 649 HD23 LEU 85 2HD2 LEU 85 -0.174 5.018 7.323 650 H PHE 86 H PHE 86 -0.179 6.850 2.043 651 HA PHE 86 HA PHE 86 1.099 9.537 2.017 652 HB2 PHE 86 2HB PHE 86 -0.856 8.276 0.062 653 HB3 PHE 86 3HB PHE 86 -0.234 9.913 -0.033 654 HD1 PHE 86 HD1 PHE 86 0.748 6.309 -0.209 655 HD2 PHE 86 HD2 PHE 86 1.860 10.379 -1.100 656 HE1 PHE 86 HE1 PHE 86 2.643 5.501 -1.581 657 HE2 PHE 86 HE2 PHE 86 3.788 9.559 -2.432 658 HZ PHE 86 HZ PHE 86 4.183 7.111 -2.666 659 H LYS 87 H LYS 87 -0.172 11.327 2.314 660 HA LYS 87 HA LYS 87 -3.001 11.023 3.232 661 HB2 LYS 87 2HB LYS 87 -1.416 11.302 5.184 662 HB3 LYS 87 3HB LYS 87 -0.866 12.821 4.459 663 HG2 LYS 87 2HG LYS 87 -3.349 13.548 4.519 664 HG3 LYS 87 3HG LYS 87 -3.622 12.138 5.556 665 HD2 LYS 87 2HD LYS 87 -1.839 13.015 7.097 666 HD3 LYS 87 3HD LYS 87 -1.680 14.447 6.082 667 HE2 LYS 87 2HE LYS 87 -4.297 13.579 7.388 668 HE3 LYS 87 3HE LYS 87 -3.148 14.662 8.158 669 HZ1 LYS 87 3HZ LYS 87 -4.850 15.942 6.953 670 HZ2 LYS 87 1HZ LYS 87 -4.442 15.249 5.514 671 HZ3 LYS 87 2HZ LYS 87 -3.392 16.210 6.291 672 H ASP 88 H ASP 88 -4.257 12.195 1.899 673 HA ASP 88 HA ASP 88 -4.907 13.628 0.268 674 HB2 ASP 88 2HB ASP 88 -3.199 15.640 1.765 675 HB3 ASP 88 3HB ASP 88 -4.558 15.994 0.698 676 H GLY 89 H GLY 89 -2.674 12.027 -0.482 677 HA2 GLY 89 2HA GLY 89 -1.427 11.696 -2.338 678 HA3 GLY 89 3HA GLY 89 -1.831 13.295 -2.942 679 H GLN 90 H GLN 90 -0.276 13.240 0.211 680 HA GLN 90 HA GLN 90 2.431 13.289 -1.033 681 HB2 GLN 90 2HB GLN 90 3.195 14.911 0.621 682 HB3 GLN 90 3HB GLN 90 1.973 15.570 -0.462 683 HG2 GLN 90 2HG GLN 90 0.264 15.441 1.265 684 HG3 GLN 90 3HG GLN 90 1.356 14.582 2.360 685 HE21 GLN 90 1HE2 GLN 90 3.254 15.793 3.231 686 HE22 GLN 90 2HE2 GLN 90 3.147 17.545 3.312 687 HA PRO 91 HA PRO 91 3.169 9.948 1.732 688 HB2 PRO 91 2HB PRO 91 5.889 9.847 1.909 689 HB3 PRO 91 3HB PRO 91 4.975 9.420 0.430 690 HG2 PRO 91 2HG PRO 91 6.311 12.065 1.094 691 HG3 PRO 91 3HG PRO 91 6.430 11.114 -0.421 692 HD2 PRO 91 2HD PRO 91 4.710 13.210 -0.171 693 HD3 PRO 91 3HD PRO 91 4.263 11.749 -1.101 694 H VAL 92 H VAL 92 3.212 9.571 3.875 695 HA VAL 92 HA VAL 92 4.309 11.658 5.740 696 HB VAL 92 HB VAL 92 2.615 10.796 7.398 697 HG11 VAL 92 1HG1 VAL 92 2.403 12.966 6.219 698 HG12 VAL 92 2HG1 VAL 92 1.541 12.165 4.888 699 HG13 VAL 92 3HG1 VAL 92 0.822 12.225 6.514 700 HG21 VAL 92 3HG2 VAL 92 1.941 8.706 6.226 701 HG22 VAL 92 1HG2 VAL 92 0.583 9.762 6.634 702 HG23 VAL 92 2HG2 VAL 92 1.164 9.697 4.964 703 H LYS 93 H LYS 93 4.187 8.183 5.085 704 HA LYS 93 HA LYS 93 6.303 7.666 7.094 705 HB2 LYS 93 2HB LYS 93 4.309 7.694 8.465 706 HB3 LYS 93 3HB LYS 93 3.429 6.687 7.321 707 HG2 LYS 93 2HG LYS 93 4.885 4.770 7.825 708 HG3 LYS 93 3HG LYS 93 5.827 5.750 8.960 709 HD2 LYS 93 2HD LYS 93 2.812 5.351 9.201 710 HD3 LYS 93 3HD LYS 93 3.986 4.218 9.906 711 HE2 LYS 93 2HE LYS 93 4.991 6.066 11.223 712 HE3 LYS 93 3HE LYS 93 3.811 7.199 10.543 713 HZ1 LYS 93 3HZ LYS 93 2.055 5.859 11.545 714 HZ2 LYS 93 1HZ LYS 93 3.094 6.377 12.703 715 HZ3 LYS 93 2HZ LYS 93 3.144 4.799 12.168 716 H ARG 94 H ARG 94 7.459 5.848 6.695 717 HA ARG 94 HA ARG 94 6.545 3.886 4.626 718 HB2 ARG 94 2HB ARG 94 8.219 5.441 3.685 719 HB3 ARG 94 3HB ARG 94 9.349 5.020 4.973 720 HG2 ARG 94 2HG ARG 94 9.484 2.704 4.151 721 HG3 ARG 94 3HG ARG 94 8.251 3.044 2.914 722 HD2 ARG 94 2HD ARG 94 9.689 4.692 1.858 723 HD3 ARG 94 3HD ARG 94 10.904 4.525 3.132 724 HE ARG 94 HE ARG 94 10.960 2.030 2.319 725 HH11 ARG 94 1HH1 ARG 94 10.696 4.799 0.190 726 HH12 ARG 94 2HH1 ARG 94 11.467 3.969 -1.136 727 HH21 ARG 94 1HH2 ARG 94 12.158 1.133 0.673 728 HH22 ARG 94 2HH2 ARG 94 12.462 2.045 -0.787 729 H ILE 95 H ILE 95 6.817 1.791 5.103 730 HA ILE 95 HA ILE 95 8.229 0.976 7.579 731 HB ILE 95 HB ILE 95 5.553 -0.302 7.097 732 HG12 ILE 95 2HG1 ILE 95 4.619 1.352 8.900 733 HG13 ILE 95 3HG1 ILE 95 5.812 2.481 8.293 734 HG21 ILE 95 1HG2 ILE 95 7.194 0.411 9.568 735 HG22 ILE 95 2HG2 ILE 95 5.675 -0.493 9.572 736 HG23 ILE 95 3HG2 ILE 95 7.087 -1.190 8.795 737 HD11 ILE 95 3HD1 ILE 95 4.710 2.302 6.015 738 HD12 ILE 95 1HD1 ILE 95 3.575 1.121 6.703 739 HD13 ILE 95 2HD1 ILE 95 3.571 2.793 7.276 740 H VAL 96 H VAL 96 8.832 -1.297 7.626 741 HA VAL 96 HA VAL 96 8.615 -2.759 5.041 742 HB VAL 96 HB VAL 96 10.703 -1.475 5.018 743 HG11 VAL 96 1HG1 VAL 96 11.591 -3.174 7.386 744 HG12 VAL 96 2HG1 VAL 96 12.588 -2.037 6.459 745 HG13 VAL 96 3HG1 VAL 96 11.243 -1.432 7.434 746 HG21 VAL 96 3HG2 VAL 96 10.545 -3.621 3.811 747 HG22 VAL 96 1HG2 VAL 96 12.186 -3.239 4.356 748 HG23 VAL 96 2HG2 VAL 96 11.238 -4.460 5.224 749 H GLY 97 H GLY 97 8.662 -4.987 5.146 750 HA2 GLY 97 2HA GLY 97 8.667 -7.105 6.137 751 HA3 GLY 97 3HA GLY 97 8.933 -6.401 7.728 752 H ALA 98 H ALA 98 7.202 -8.363 7.682 753 HA ALA 98 HA ALA 98 4.532 -7.630 6.920 754 HB1 ALA 98 3HB ALA 98 5.319 -9.930 6.743 755 HB2 ALA 98 1HB ALA 98 5.547 -10.019 8.507 756 HB3 ALA 98 2HB ALA 98 3.918 -9.848 7.820 757 H LYS 99 H LYS 99 2.678 -7.360 8.142 758 HA LYS 99 HA LYS 99 2.862 -6.670 11.035 759 HB2 LYS 99 2HB LYS 99 1.738 -4.867 8.843 760 HB3 LYS 99 3HB LYS 99 1.612 -4.559 10.579 761 HG2 LYS 99 2HG LYS 99 4.081 -4.382 10.751 762 HG3 LYS 99 3HG LYS 99 4.236 -4.771 9.038 763 HD2 LYS 99 2HD LYS 99 4.491 -2.494 9.070 764 HD3 LYS 99 3HD LYS 99 2.864 -2.753 8.480 765 HE2 LYS 99 2HE LYS 99 2.779 -0.900 9.961 766 HE3 LYS 99 3HE LYS 99 1.949 -2.231 10.765 767 HZ1 LYS 99 3HZ LYS 99 4.793 -1.538 11.317 768 HZ2 LYS 99 1HZ LYS 99 3.833 -2.505 12.218 769 HZ3 LYS 99 2HZ LYS 99 3.571 -0.876 12.155 770 H GLY 100 H GLY 100 0.823 -6.684 12.136 771 HA2 GLY 100 2HA GLY 100 -1.316 -8.325 10.882 772 HA3 GLY 100 3HA GLY 100 -1.117 -7.983 12.599 773 H LYS 101 H LYS 101 -3.582 -7.641 11.451 774 HA LYS 101 HA LYS 101 -4.183 -5.125 10.367 775 HB2 LYS 101 2HB LYS 101 -5.546 -7.305 10.552 776 HB3 LYS 101 3HB LYS 101 -5.988 -6.797 12.187 777 HG2 LYS 101 2HG LYS 101 -7.129 -4.823 11.320 778 HG3 LYS 101 3HG LYS 101 -6.404 -5.069 9.721 779 HD2 LYS 101 2HD LYS 101 -8.668 -5.771 9.586 780 HD3 LYS 101 3HD LYS 101 -7.616 -7.202 9.480 781 HE2 LYS 101 2HE LYS 101 -8.114 -7.836 11.756 782 HE3 LYS 101 3HE LYS 101 -8.914 -6.292 12.079 783 HZ1 LYS 101 3HZ LYS 101 -10.641 -6.901 10.490 784 HZ2 LYS 101 1HZ LYS 101 -10.517 -8.096 11.611 785 HZ3 LYS 101 2HZ LYS 101 -9.879 -8.298 10.106 786 H ALA 102 H ALA 102 -3.772 -5.949 13.721 787 HA ALA 102 HA ALA 102 -4.885 -3.492 14.804 788 HB1 ALA 102 3HB ALA 102 -4.651 -5.547 16.142 789 HB2 ALA 102 1HB ALA 102 -2.879 -5.462 15.998 790 HB3 ALA 102 2HB ALA 102 -3.765 -4.203 16.885 791 H ALA 103 H ALA 103 -1.569 -4.503 13.893 792 HA ALA 103 HA ALA 103 -0.300 -2.040 14.682 793 HB1 ALA 103 3HB ALA 103 0.893 -4.187 14.507 794 HB2 ALA 103 1HB ALA 103 0.601 -4.223 12.753 795 HB3 ALA 103 2HB ALA 103 1.626 -2.956 13.463 796 H LEU 104 H LEU 104 -1.483 -3.241 11.484 797 HA LEU 104 HA LEU 104 -0.685 -0.928 9.986 798 HB2 LEU 104 2HB LEU 104 -1.594 -3.395 9.348 799 HB3 LEU 104 3HB LEU 104 -3.115 -2.527 9.222 800 HG LEU 104 HG LEU 104 -1.964 -0.932 7.602 801 HD11 LEU 104 1HD1 LEU 104 0.154 -1.855 6.540 802 HD12 LEU 104 2HD1 LEU 104 0.271 -3.001 7.879 803 HD13 LEU 104 3HD1 LEU 104 0.397 -1.250 8.176 804 HD21 LEU 104 3HD2 LEU 104 -1.887 -3.890 6.856 805 HD22 LEU 104 1HD2 LEU 104 -1.955 -2.529 5.719 806 HD23 LEU 104 2HD2 LEU 104 -3.323 -2.838 6.790 807 H LEU 105 H LEU 105 -3.814 -1.675 11.602 808 HA LEU 105 HA LEU 105 -5.066 0.813 10.982 809 HB2 LEU 105 2HB LEU 105 -6.227 -1.238 11.787 810 HB3 LEU 105 3HB LEU 105 -5.470 -1.041 13.366 811 HG LEU 105 HG LEU 105 -6.695 1.089 13.698 812 HD11 LEU 105 1HD1 LEU 105 -7.987 0.448 11.006 813 HD12 LEU 105 2HD1 LEU 105 -6.982 1.868 11.384 814 HD13 LEU 105 3HD1 LEU 105 -8.557 1.682 12.152 815 HD21 LEU 105 3HD2 LEU 105 -8.926 0.109 13.953 816 HD22 LEU 105 1HD2 LEU 105 -7.681 -1.055 14.427 817 HD23 LEU 105 2HD2 LEU 105 -8.491 -1.221 12.854 818 H ARG 106 H ARG 106 -2.884 -0.102 13.705 819 HA ARG 106 HA ARG 106 -3.084 2.447 15.011 820 HB2 ARG 106 2HB ARG 106 -2.308 0.446 16.176 821 HB3 ARG 106 3HB ARG 106 -0.906 0.324 15.115 822 HG2 ARG 106 2HG ARG 106 -0.268 1.231 17.280 823 HG3 ARG 106 3HG ARG 106 0.011 2.412 16.009 824 HD2 ARG 106 2HD ARG 106 -2.229 3.492 16.668 825 HD3 ARG 106 3HD ARG 106 -2.285 2.361 18.018 826 HE ARG 106 HE ARG 106 -0.654 3.605 19.120 827 HH11 ARG 106 1HH2 ARG 106 -0.728 4.760 15.770 828 HH12 ARG 106 2HH2 ARG 106 0.320 6.114 16.190 829 HH21 ARG 106 1HH1 ARG 106 0.668 5.397 19.465 830 HH22 ARG 106 2HH1 ARG 106 1.041 6.447 18.118 831 H GLU 107 H GLU 107 -0.822 1.325 12.449 832 HA GLU 107 HA GLU 107 0.695 3.767 12.346 833 HB2 GLU 107 2HB GLU 107 -0.042 2.021 9.956 834 HB3 GLU 107 3HB GLU 107 1.222 3.225 10.017 835 HG2 GLU 107 2HG GLU 107 1.186 0.538 11.288 836 HG3 GLU 107 3HG GLU 107 2.238 1.137 10.040 837 H LEU 108 H LEU 108 -2.368 2.836 10.745 838 HA LEU 108 HA LEU 108 -2.683 5.327 9.364 839 HB2 LEU 108 2HB LEU 108 -3.901 2.881 9.285 840 HB3 LEU 108 3HB LEU 108 -5.081 3.736 10.249 841 HG LEU 108 HG LEU 108 -5.764 3.782 8.004 842 HD11 LEU 108 1HD1 LEU 108 -4.573 6.548 8.424 843 HD12 LEU 108 2HD1 LEU 108 -6.068 5.956 9.189 844 HD13 LEU 108 3HD1 LEU 108 -5.969 6.115 7.429 845 HD21 LEU 108 3HD2 LEU 108 -3.068 4.943 7.210 846 HD22 LEU 108 1HD2 LEU 108 -4.442 4.651 6.125 847 HD23 LEU 108 2HD2 LEU 108 -3.626 3.286 6.906 848 H SER 109 H SER 109 -3.860 4.233 12.543 849 HA SER 109 HA SER 109 -5.296 6.612 13.261 850 HB2 SER 109 2HB SER 109 -3.983 4.544 15.066 851 HB3 SER 109 3HB SER 109 -5.191 5.743 15.553 852 HG SER 109 HG SER 109 -5.515 3.587 13.725 853 H ASP 110 H ASP 110 -1.867 5.875 13.289 854 HA ASP 110 HA ASP 110 -1.000 7.919 15.050 855 HB2 ASP 110 2HB ASP 110 0.242 5.927 13.747 856 HB3 ASP 110 3HB ASP 110 0.566 7.199 12.576 857 H VAL 111 H VAL 111 -2.391 8.276 11.859 858 HA VAL 111 HA VAL 111 -1.253 10.927 11.345 859 HB VAL 111 HB VAL 111 -3.475 9.471 9.880 860 HG11 VAL 111 1HG1 VAL 111 -1.670 11.777 9.071 861 HG12 VAL 111 2HG1 VAL 111 -2.770 10.909 7.973 862 HG13 VAL 111 3HG1 VAL 111 -3.437 11.832 9.312 863 HG21 VAL 111 3HG2 VAL 111 -1.433 8.076 9.766 864 HG22 VAL 111 1HG2 VAL 111 -1.726 8.848 8.210 865 HG23 VAL 111 2HG2 VAL 111 -0.474 9.496 9.293 866 H VAL 112 H VAL 112 -2.418 12.803 11.352 867 HA VAL 112 HA VAL 112 -5.080 12.902 12.684 868 HB VAL 112 HB VAL 112 -4.393 15.057 13.761 869 HG11 VAL 112 1HG1 VAL 112 -2.857 12.595 14.681 870 HG12 VAL 112 2HG1 VAL 112 -3.303 14.001 15.671 871 HG13 VAL 112 3HG1 VAL 112 -4.565 12.941 15.023 872 HG21 VAL 112 3HG2 VAL 112 -1.534 14.151 13.208 873 HG22 VAL 112 1HG2 VAL 112 -2.344 15.534 12.437 874 HG23 VAL 112 2HG2 VAL 112 -2.056 15.540 14.179 875 HA PRO 113 HA PRO 113 -6.319 14.716 9.059 876 HB2 PRO 113 2HB PRO 113 -8.304 16.534 9.720 877 HB3 PRO 113 3HB PRO 113 -8.471 14.756 9.805 878 HG2 PRO 113 2HG PRO 113 -7.750 16.665 12.052 879 HG3 PRO 113 3HG PRO 113 -8.983 15.361 12.057 880 HD2 PRO 113 2HD PRO 113 -6.548 14.935 13.112 881 HD3 PRO 113 3HD PRO 113 -7.312 13.665 12.109 882 H ASN 114 H ASN 114 -5.249 17.144 11.385 883 HA ASN 114 HA ASN 114 -4.773 19.193 9.321 884 HB2 ASN 114 2HB ASN 114 -4.173 20.599 11.198 885 HB3 ASN 114 3HB ASN 114 -5.701 19.784 11.520 886 HD21 ASN 114 1HD2 ASN 114 -4.558 20.859 13.677 887 HD22 ASN 114 2HD2 ASN 114 -3.820 19.607 14.666 888 H LEU 115 H LEU 115 -3.072 16.505 10.308 889 HA LEU 115 HA LEU 115 -0.973 15.806 10.471 890 HB2 LEU 115 2HB LEU 115 -1.216 16.318 8.019 891 HB3 LEU 115 3HB LEU 115 -0.303 17.797 8.289 892 HG LEU 115 HG LEU 115 1.690 16.465 8.934 893 HD11 LEU 115 1HD1 LEU 115 0.692 14.480 9.949 894 HD12 LEU 115 2HD1 LEU 115 1.688 14.000 8.578 895 HD13 LEU 115 3HD1 LEU 115 -0.080 14.041 8.406 896 HD21 LEU 115 3HD2 LEU 115 1.285 17.025 6.564 897 HD22 LEU 115 1HD2 LEU 115 0.441 15.477 6.346 898 HD23 LEU 115 2HD2 LEU 115 2.169 15.505 6.758 899 H ASN 116 H ASN 116 -1.682 17.717 12.360 900 HA ASN 116 HA ASN 116 -0.950 19.036 14.021 901 HB2 ASN 116 2HB ASN 116 0.159 16.804 14.396 902 HB3 ASN 116 3HB ASN 116 1.644 17.483 13.738 903 HD21 ASN 116 2HD2 ASN 116 2.211 19.686 14.850 904 HD22 ASN 116 1HD2 ASN 116 2.156 19.636 16.628 Start of MODEL 9 1 H1 MET 1 1H MET 1 -24.340 -7.509 -6.925 2 HA MET 1 HA MET 1 -22.429 -6.565 -8.032 3 HB2 MET 1 2HB MET 1 -22.091 -8.068 -6.096 4 HB3 MET 1 3HB MET 1 -22.000 -9.462 -7.177 5 HG2 MET 1 2HG MET 1 -19.980 -8.513 -8.237 6 HG3 MET 1 3HG MET 1 -20.130 -7.059 -7.247 7 HE1 MET 1 3HE MET 1 -20.420 -10.971 -6.282 8 HE2 MET 1 1HE MET 1 -19.096 -10.797 -7.458 9 HE3 MET 1 2HE MET 1 -18.742 -11.231 -5.772 10 H THR 2 H THR 2 -22.326 -6.101 -10.193 11 HA THR 2 HA THR 2 -22.699 -8.050 -12.268 12 HB THR 2 HB THR 2 -21.443 -5.299 -12.541 13 HG1 THR 2 HG1 THR 2 -23.557 -4.557 -12.740 14 HG21 THR 2 3HG2 THR 2 -22.639 -5.297 -14.726 15 HG22 THR 2 1HG2 THR 2 -23.178 -6.966 -14.424 16 HG23 THR 2 2HG2 THR 2 -21.451 -6.601 -14.637 17 H ASP 3 H ASP 3 -19.797 -6.726 -10.750 18 HA ASP 3 HA ASP 3 -18.157 -8.871 -11.918 19 HB2 ASP 3 2HB ASP 3 -17.839 -6.938 -13.448 20 HB3 ASP 3 3HB ASP 3 -17.387 -5.927 -12.073 21 H SER 4 H SER 4 -16.380 -9.430 -10.568 22 HA SER 4 HA SER 4 -17.061 -9.471 -7.886 23 HB2 SER 4 2HB SER 4 -14.331 -10.004 -9.102 24 HB3 SER 4 3HB SER 4 -14.882 -10.534 -7.499 25 HG SER 4 HG SER 4 -15.148 -12.162 -9.119 26 H GLU 5 H GLU 5 -17.001 -8.055 -6.326 27 HA GLU 5 HA GLU 5 -14.704 -6.195 -5.966 28 HB2 GLU 5 2HB GLU 5 -16.732 -5.210 -7.242 29 HB3 GLU 5 3HB GLU 5 -17.577 -5.257 -5.701 30 HG2 GLU 5 2HG GLU 5 -15.818 -3.788 -4.751 31 HG3 GLU 5 3HG GLU 5 -14.978 -3.831 -6.293 32 H LYS 6 H LYS 6 -15.247 -8.658 -4.631 33 HA LYS 6 HA LYS 6 -16.657 -8.288 -2.152 34 HB2 LYS 6 2HB LYS 6 -14.644 -10.417 -2.994 35 HB3 LYS 6 3HB LYS 6 -15.652 -10.485 -1.544 36 HG2 LYS 6 2HG LYS 6 -17.706 -10.432 -2.958 37 HG3 LYS 6 3HG LYS 6 -16.700 -10.379 -4.410 38 HD2 LYS 6 2HD LYS 6 -17.461 -12.630 -4.108 39 HD3 LYS 6 3HD LYS 6 -15.717 -12.587 -3.814 40 HE2 LYS 6 2HE LYS 6 -16.132 -12.574 -1.361 41 HE3 LYS 6 3HE LYS 6 -17.877 -12.556 -1.651 42 HZ1 LYS 6 3HZ LYS 6 -16.038 -14.747 -2.464 43 HZ2 LYS 6 1HZ LYS 6 -17.651 -14.733 -2.725 44 HZ3 LYS 6 2HZ LYS 6 -17.071 -14.803 -1.203 45 H SER 7 H SER 7 -13.490 -7.454 -2.999 46 HA SER 7 HA SER 7 -12.891 -6.572 -0.211 47 HB2 SER 7 2HB SER 7 -10.837 -7.657 -2.173 48 HB3 SER 7 3HB SER 7 -10.511 -6.990 -0.562 49 HG SER 7 HG SER 7 -10.612 -9.316 -0.655 50 H ALA 8 H ALA 8 -12.145 -4.491 -0.036 51 HA ALA 8 HA ALA 8 -12.522 -2.826 -2.410 52 HB1 ALA 8 3HB ALA 8 -13.681 -2.403 -0.276 53 HB2 ALA 8 1HB ALA 8 -12.112 -2.065 0.486 54 HB3 ALA 8 2HB ALA 8 -12.717 -1.013 -0.806 55 H THR 9 H THR 9 -9.880 -4.347 -2.127 56 HA THR 9 HA THR 9 -7.865 -2.202 -2.038 57 HB THR 9 HB THR 9 -6.390 -4.193 -2.871 58 HG1 THR 9 HG1 THR 9 -7.227 -6.190 -2.394 59 HG21 THR 9 3HG2 THR 9 -7.658 -4.137 -0.113 60 HG22 THR 9 1HG2 THR 9 -6.173 -3.321 -0.636 61 HG23 THR 9 2HG2 THR 9 -6.215 -5.088 -0.545 62 H ILE 10 H ILE 10 -6.465 -1.711 -3.771 63 HA ILE 10 HA ILE 10 -7.433 -2.311 -6.533 64 HB ILE 10 HB ILE 10 -6.982 -0.018 -7.219 65 HG12 ILE 10 2HG1 ILE 10 -6.603 0.659 -4.265 66 HG13 ILE 10 3HG1 ILE 10 -5.320 0.591 -5.476 67 HG21 ILE 10 1HG2 ILE 10 -9.016 0.969 -6.384 68 HG22 ILE 10 2HG2 ILE 10 -9.270 -0.771 -6.515 69 HG23 ILE 10 3HG2 ILE 10 -8.981 -0.037 -4.922 70 HD11 ILE 10 3HD1 ILE 10 -5.920 2.889 -5.126 71 HD12 ILE 10 1HD1 ILE 10 -6.425 2.410 -6.758 72 HD13 ILE 10 2HD1 ILE 10 -7.628 2.563 -5.451 73 H LYS 11 H LYS 11 -5.823 -2.087 -8.205 74 HA LYS 11 HA LYS 11 -2.983 -2.288 -7.276 75 HB2 LYS 11 2HB LYS 11 -3.697 -4.284 -8.444 76 HB3 LYS 11 3HB LYS 11 -4.277 -3.332 -9.819 77 HG2 LYS 11 2HG LYS 11 -2.014 -2.631 -10.379 78 HG3 LYS 11 3HG LYS 11 -1.369 -3.360 -8.896 79 HD2 LYS 11 2HD LYS 11 -1.927 -5.592 -9.690 80 HD3 LYS 11 3HD LYS 11 -2.718 -4.931 -11.138 81 HE2 LYS 11 2HE LYS 11 -0.627 -4.062 -11.994 82 HE3 LYS 11 3HE LYS 11 0.200 -4.389 -10.464 83 HZ1 LYS 11 3HZ LYS 11 -0.106 -6.749 -10.831 84 HZ2 LYS 11 1HZ LYS 11 0.719 -6.114 -12.090 85 HZ3 LYS 11 2HZ LYS 11 -0.872 -6.493 -12.269 86 H VAL 12 H VAL 12 -1.480 -0.942 -8.049 87 HA VAL 12 HA VAL 12 -2.233 1.159 -10.029 88 HB VAL 12 HB VAL 12 -0.876 2.800 -8.821 89 HG11 VAL 12 1HG1 VAL 12 -3.330 2.724 -8.560 90 HG12 VAL 12 2HG1 VAL 12 -3.152 1.687 -7.131 91 HG13 VAL 12 3HG1 VAL 12 -2.518 3.343 -7.109 92 HG21 VAL 12 3HG2 VAL 12 -0.877 0.867 -6.465 93 HG22 VAL 12 1HG2 VAL 12 0.546 1.264 -7.453 94 HG23 VAL 12 2HG2 VAL 12 -0.247 2.523 -6.492 95 H THR 13 H THR 13 -0.497 2.108 -11.127 96 HA THR 13 HA THR 13 2.077 0.637 -11.382 97 HB THR 13 HB THR 13 1.841 0.686 -13.843 98 HG1 THR 13 HG1 THR 13 -0.255 1.068 -14.700 99 HG21 THR 13 3HG2 THR 13 -0.553 -0.773 -12.659 100 HG22 THR 13 1HG2 THR 13 1.120 -1.372 -12.596 101 HG23 THR 13 2HG2 THR 13 0.318 -1.148 -14.162 102 H ASP 14 H ASP 14 3.631 1.966 -12.753 103 HA ASP 14 HA ASP 14 3.835 4.655 -11.992 104 HB2 ASP 14 2HB ASP 14 5.662 3.318 -12.862 105 HB3 ASP 14 3HB ASP 14 4.902 3.228 -14.454 106 H ALA 15 H ALA 15 1.879 3.399 -14.641 107 HA ALA 15 HA ALA 15 1.400 6.020 -15.854 108 HB1 ALA 15 3HB ALA 15 -0.053 4.732 -17.357 109 HB2 ALA 15 1HB ALA 15 1.529 3.951 -17.192 110 HB3 ALA 15 2HB ALA 15 0.118 3.297 -16.325 111 H SER 16 H SER 16 0.031 4.407 -13.130 112 HA SER 16 HA SER 16 -2.504 6.001 -13.300 113 HB2 SER 16 2HB SER 16 -3.626 4.114 -12.190 114 HB3 SER 16 3HB SER 16 -2.997 3.706 -13.792 115 HG SER 16 HG SER 16 -1.445 2.484 -12.924 116 H PHE 17 H PHE 17 0.149 5.090 -11.219 117 HA PHE 17 HA PHE 17 -0.828 5.289 -8.670 118 HB2 PHE 17 2HB PHE 17 1.512 4.761 -9.535 119 HB3 PHE 17 3HB PHE 17 1.816 6.481 -9.609 120 HD1 PHE 17 HD1 PHE 17 1.521 7.798 -7.295 121 HD2 PHE 17 HD2 PHE 17 2.046 3.532 -7.662 122 HE1 PHE 17 HE1 PHE 17 2.306 7.686 -4.945 123 HE2 PHE 17 HE2 PHE 17 2.910 3.445 -5.346 124 HZ PHE 17 HZ PHE 17 3.009 5.512 -3.968 125 H ALA 18 H ALA 18 0.093 8.100 -10.726 126 HA ALA 18 HA ALA 18 -0.285 9.989 -8.638 127 HB1 ALA 18 3HB ALA 18 1.116 10.418 -10.606 128 HB2 ALA 18 1HB ALA 18 -0.325 10.400 -11.656 129 HB3 ALA 18 2HB ALA 18 -0.124 11.672 -10.429 130 H THR 19 H THR 19 -2.637 8.606 -10.889 131 HA THR 19 HA THR 19 -4.728 10.550 -10.126 132 HB THR 19 HB THR 19 -4.986 8.004 -11.777 133 HG1 THR 19 HG1 THR 19 -4.685 9.355 -13.552 134 HG21 THR 19 3HG2 THR 19 -6.653 10.562 -11.674 135 HG22 THR 19 1HG2 THR 19 -7.166 8.944 -11.144 136 HG23 THR 19 2HG2 THR 19 -6.867 9.250 -12.856 137 H ASP 20 H ASP 20 -3.749 7.265 -9.227 138 HA ASP 20 HA ASP 20 -6.252 6.861 -7.682 139 HB2 ASP 20 2HB ASP 20 -3.913 5.104 -8.416 140 HB3 ASP 20 3HB ASP 20 -5.068 4.626 -7.170 141 H VAL 21 H VAL 21 -2.827 7.465 -6.967 142 HA VAL 21 HA VAL 21 -3.389 7.331 -4.041 143 HB VAL 21 HB VAL 21 -0.694 7.515 -5.420 144 HG11 VAL 21 1HG1 VAL 21 0.170 6.682 -3.300 145 HG12 VAL 21 2HG1 VAL 21 -0.684 8.204 -3.053 146 HG13 VAL 21 3HG1 VAL 21 -1.460 6.670 -2.602 147 HG21 VAL 21 3HG2 VAL 21 -0.457 5.101 -5.007 148 HG22 VAL 21 1HG2 VAL 21 -2.143 5.016 -4.440 149 HG23 VAL 21 2HG2 VAL 21 -1.765 5.415 -6.133 150 H LEU 22 H LEU 22 -1.647 9.463 -6.370 151 HA LEU 22 HA LEU 22 -1.358 11.500 -4.327 152 HB2 LEU 22 2HB LEU 22 -0.676 11.767 -7.253 153 HB3 LEU 22 3HB LEU 22 -0.085 12.743 -5.920 154 HG LEU 22 HG LEU 22 0.513 9.793 -6.357 155 HD11 LEU 22 1HD1 LEU 22 2.304 12.236 -6.611 156 HD12 LEU 22 2HD1 LEU 22 1.634 11.301 -7.963 157 HD13 LEU 22 3HD1 LEU 22 2.787 10.542 -6.853 158 HD21 LEU 22 3HD2 LEU 22 0.556 10.299 -3.941 159 HD22 LEU 22 1HD2 LEU 22 1.621 11.690 -4.253 160 HD23 LEU 22 2HD2 LEU 22 2.189 10.041 -4.560 161 H SER 23 H SER 23 -3.734 11.010 -6.808 162 HA SER 23 HA SER 23 -4.864 13.718 -6.468 163 HB2 SER 23 2HB SER 23 -5.818 11.459 -8.209 164 HB3 SER 23 3HB SER 23 -6.474 13.099 -8.165 165 HG SER 23 HG SER 23 -3.809 12.351 -8.845 166 H SER 24 H SER 24 -5.002 11.046 -4.546 167 HA SER 24 HA SER 24 -7.811 10.701 -4.068 168 HB2 SER 24 2HB SER 24 -6.086 9.046 -3.438 169 HB3 SER 24 3HB SER 24 -5.522 10.154 -2.163 170 HG SER 24 HG SER 24 -7.061 8.674 -1.356 171 H ASN 25 H ASN 25 -9.162 11.523 -2.535 172 HA ASN 25 HA ASN 25 -8.459 14.107 -1.268 173 HB2 ASN 25 2HB ASN 25 -10.508 13.761 -2.745 174 HB3 ASN 25 3HB ASN 25 -11.157 12.715 -1.481 175 HD21 ASN 25 1HD2 ASN 25 -12.937 14.039 -0.949 176 HD22 ASN 25 2HD2 ASN 25 -12.736 15.652 -0.282 177 H LYS 26 H LYS 26 -8.017 11.038 -0.337 178 HA LYS 26 HA LYS 26 -8.360 11.559 2.562 179 HB2 LYS 26 2HB LYS 26 -9.479 9.439 2.938 180 HB3 LYS 26 3HB LYS 26 -10.412 10.368 1.774 181 HG2 LYS 26 2HG LYS 26 -9.459 9.017 -0.080 182 HG3 LYS 26 3HG LYS 26 -8.475 8.112 1.081 183 HD2 LYS 26 2HD LYS 26 -10.609 7.345 2.200 184 HD3 LYS 26 3HD LYS 26 -11.506 8.125 0.872 185 HE2 LYS 26 2HE LYS 26 -10.199 6.765 -0.771 186 HE3 LYS 26 3HE LYS 26 -9.386 5.963 0.571 187 HZ1 LYS 26 3HZ LYS 26 -11.140 4.585 -0.123 188 HZ2 LYS 26 1HZ LYS 26 -12.266 5.782 -0.107 189 HZ3 LYS 26 2HZ LYS 26 -11.672 5.195 1.297 190 HA PRO 27 HA PRO 27 -4.494 9.417 3.029 191 HB2 PRO 27 2HB PRO 27 -5.891 7.509 4.917 192 HB3 PRO 27 3HB PRO 27 -4.290 8.296 5.104 193 HG2 PRO 27 2HG PRO 27 -6.465 9.299 6.360 194 HG3 PRO 27 3HG PRO 27 -5.303 10.411 5.564 195 HD2 PRO 27 2HD PRO 27 -7.996 9.477 4.588 196 HD3 PRO 27 3HD PRO 27 -7.241 11.087 4.456 197 H VAL 28 H VAL 28 -3.327 7.712 2.198 198 HA VAL 28 HA VAL 28 -4.751 5.322 1.152 199 HB VAL 28 HB VAL 28 -2.890 7.004 -0.568 200 HG11 VAL 28 1HG1 VAL 28 -4.353 4.387 -1.149 201 HG12 VAL 28 2HG1 VAL 28 -3.523 5.375 -2.363 202 HG13 VAL 28 3HG1 VAL 28 -2.592 4.624 -1.069 203 HG21 VAL 28 3HG2 VAL 28 -5.096 8.032 -0.485 204 HG22 VAL 28 1HG2 VAL 28 -4.877 7.251 -2.051 205 HG23 VAL 28 2HG2 VAL 28 -5.880 6.466 -0.809 206 H LEU 29 H LEU 29 -3.697 3.507 1.570 207 HA LEU 29 HA LEU 29 -0.780 3.562 2.285 208 HB2 LEU 29 2HB LEU 29 -2.951 1.470 2.706 209 HB3 LEU 29 3HB LEU 29 -1.242 1.084 2.733 210 HG LEU 29 HG LEU 29 -1.056 2.959 4.553 211 HD11 LEU 29 1HD1 LEU 29 -3.048 3.120 5.991 212 HD12 LEU 29 2HD1 LEU 29 -3.971 2.092 4.884 213 HD13 LEU 29 3HD1 LEU 29 -3.468 3.718 4.377 214 HD21 LEU 29 3HD2 LEU 29 -2.342 0.265 5.096 215 HD22 LEU 29 1HD2 LEU 29 -1.506 1.283 6.295 216 HD23 LEU 29 2HD2 LEU 29 -0.602 0.610 4.929 217 H VAL 30 H VAL 30 0.666 2.786 0.790 218 HA VAL 30 HA VAL 30 -0.420 1.060 -1.403 219 HB VAL 30 HB VAL 30 2.038 2.773 -1.772 220 HG11 VAL 30 1HG1 VAL 30 1.531 2.235 -4.171 221 HG12 VAL 30 2HG1 VAL 30 1.858 0.788 -3.219 222 HG13 VAL 30 3HG1 VAL 30 0.186 1.219 -3.647 223 HG21 VAL 30 3HG2 VAL 30 0.692 4.253 -3.185 224 HG22 VAL 30 1HG2 VAL 30 -0.795 3.421 -2.682 225 HG23 VAL 30 2HG2 VAL 30 0.164 4.342 -1.507 226 H ASP 31 H ASP 31 0.293 -0.944 -1.353 227 HA ASP 31 HA ASP 31 2.794 -1.594 0.154 228 HB2 ASP 31 2HB ASP 31 0.801 -2.609 1.052 229 HB3 ASP 31 3HB ASP 31 0.380 -3.280 -0.514 230 H PHE 32 H PHE 32 4.488 -1.870 -0.992 231 HA PHE 32 HA PHE 32 4.499 -2.680 -3.818 232 HB2 PHE 32 2HB PHE 32 6.637 -1.744 -1.874 233 HB3 PHE 32 3HB PHE 32 6.960 -2.243 -3.525 234 HD1 PHE 32 HD1 PHE 32 4.794 0.223 -1.605 235 HD2 PHE 32 HD2 PHE 32 7.038 -0.614 -5.191 236 HE1 PHE 32 HE1 PHE 32 4.296 2.491 -2.460 237 HE2 PHE 32 HE2 PHE 32 6.555 1.677 -6.012 238 HZ PHE 32 HZ PHE 32 5.188 3.235 -4.643 239 H TRP 33 H TRP 33 4.544 -4.791 -4.304 240 HA TRP 33 HA TRP 33 5.895 -6.769 -2.546 241 HB2 TRP 33 2HB TRP 33 4.000 -7.939 -1.984 242 HB3 TRP 33 3HB TRP 33 3.489 -6.291 -1.765 243 HD1 TRP 33 HD1 TRP 33 2.824 -5.847 -4.965 244 HE1 TRP 33 HE1 TRP 33 0.671 -6.769 -5.915 245 HE3 TRP 33 HE3 TRP 33 1.875 -9.396 -1.399 246 HZ2 TRP 33 HZ2 TRP 33 -1.334 -8.722 -5.142 247 HZ3 TRP 33 HZ3 TRP 33 -0.155 -10.792 -1.551 248 HH2 TRP 33 HH2 TRP 33 -1.823 -10.402 -3.351 249 H ALA 34 H ALA 34 5.602 -9.037 -3.354 250 HA ALA 34 HA ALA 34 4.839 -9.299 -6.191 251 HB1 ALA 34 3HB ALA 34 7.320 -9.411 -6.150 252 HB2 ALA 34 1HB ALA 34 7.235 -10.728 -4.956 253 HB3 ALA 34 2HB ALA 34 6.582 -10.958 -6.591 254 H THR 35 H THR 35 3.666 -11.212 -6.628 255 HA THR 35 HA THR 35 2.078 -12.130 -4.417 256 HB THR 35 HB THR 35 0.980 -13.555 -6.191 257 HG1 THR 35 HG1 THR 35 1.663 -13.190 -8.313 258 HG21 THR 35 3HG2 THR 35 0.041 -11.672 -7.448 259 HG22 THR 35 1HG2 THR 35 1.369 -10.615 -6.921 260 HG23 THR 35 2HG2 THR 35 0.208 -11.253 -5.738 261 H TRP 36 H TRP 36 4.974 -13.442 -5.730 262 HA TRP 36 HA TRP 36 4.533 -16.145 -4.610 263 HB2 TRP 36 2HB TRP 36 6.813 -16.534 -5.630 264 HB3 TRP 36 3HB TRP 36 5.504 -16.159 -6.731 265 HD1 TRP 36 HD1 TRP 36 5.890 -14.355 -8.435 266 HE1 TRP 36 HE1 TRP 36 7.662 -12.566 -8.923 267 HE3 TRP 36 HE3 TRP 36 8.704 -14.816 -4.159 268 HZ2 TRP 36 HZ2 TRP 36 9.903 -11.372 -7.554 269 HZ3 TRP 36 HZ3 TRP 36 10.624 -13.297 -3.765 270 HH2 TRP 36 HH2 TRP 36 11.230 -11.568 -5.444 271 H CYS 37 H CYS 37 5.640 -13.203 -3.348 272 HA CYS 37 HA CYS 37 7.818 -14.282 -1.708 273 HB2 CYS 37 2HB CYS 37 8.328 -12.152 -2.249 274 HB3 CYS 37 3HB CYS 37 6.661 -11.652 -2.385 275 H GLY 38 H GLY 38 7.753 -14.936 0.370 276 HA2 GLY 38 2HA GLY 38 5.438 -16.023 1.477 277 HA3 GLY 38 3HA GLY 38 6.934 -15.736 2.361 278 HA PRO 39 HA PRO 39 4.943 -12.635 4.815 279 HB2 PRO 39 2HB PRO 39 6.473 -10.337 4.754 280 HB3 PRO 39 3HB PRO 39 6.901 -11.826 5.647 281 HG2 PRO 39 2HG PRO 39 7.849 -10.967 2.902 282 HG3 PRO 39 3HG PRO 39 8.822 -11.591 4.268 283 HD2 PRO 39 2HD PRO 39 8.044 -13.199 2.235 284 HD3 PRO 39 3HD PRO 39 8.049 -13.806 3.916 285 H CYS 40 H CYS 40 5.642 -11.625 1.490 286 HA CYS 40 HA CYS 40 3.799 -9.439 1.308 287 HB2 CYS 40 2HB CYS 40 4.605 -11.401 -0.875 288 HB3 CYS 40 3HB CYS 40 3.936 -9.816 -1.080 289 H LYS 41 H LYS 41 3.402 -12.965 0.616 290 HA LYS 41 HA LYS 41 0.586 -12.792 0.077 291 HB2 LYS 41 2HB LYS 41 2.457 -14.603 -0.479 292 HB3 LYS 41 3HB LYS 41 2.020 -15.273 1.086 293 HG2 LYS 41 2HG LYS 41 0.870 -16.393 -0.706 294 HG3 LYS 41 3HG LYS 41 -0.324 -15.539 0.278 295 HD2 LYS 41 2HD LYS 41 -0.759 -13.938 -1.377 296 HD3 LYS 41 3HD LYS 41 0.809 -14.132 -2.159 297 HE2 LYS 41 2HE LYS 41 -1.385 -16.249 -2.222 298 HE3 LYS 41 3HE LYS 41 -1.183 -14.993 -3.449 299 HZ1 LYS 41 3HZ LYS 41 0.818 -17.083 -2.795 300 HZ2 LYS 41 1HZ LYS 41 1.101 -15.841 -3.821 301 HZ3 LYS 41 2HZ LYS 41 -0.043 -16.964 -4.175 302 H MET 42 H MET 42 2.440 -13.316 3.041 303 HA MET 42 HA MET 42 0.267 -13.980 4.744 304 HB2 MET 42 2HB MET 42 2.743 -14.256 5.197 305 HB3 MET 42 3HB MET 42 2.813 -12.520 5.527 306 HG2 MET 42 2HG MET 42 2.669 -13.736 7.596 307 HG3 MET 42 3HG MET 42 1.196 -12.801 7.372 308 HE1 MET 42 3HE MET 42 1.499 -15.052 9.563 309 HE2 MET 42 1HE MET 42 0.002 -14.129 9.297 310 HE3 MET 42 2HE MET 42 -0.052 -15.902 9.400 311 H VAL 43 H VAL 43 1.471 -10.687 3.814 312 HA VAL 43 HA VAL 43 -0.377 -9.391 5.682 313 HB VAL 43 HB VAL 43 0.173 -7.301 4.579 314 HG11 VAL 43 1HG1 VAL 43 2.418 -7.135 5.382 315 HG12 VAL 43 2HG1 VAL 43 1.477 -8.189 6.465 316 HG13 VAL 43 3HG1 VAL 43 2.633 -8.904 5.322 317 HG21 VAL 43 3HG2 VAL 43 0.673 -8.122 2.262 318 HG22 VAL 43 1HG2 VAL 43 1.910 -7.058 2.942 319 HG23 VAL 43 2HG2 VAL 43 2.188 -8.804 2.888 320 H ALA 44 H ALA 44 -0.760 -10.541 2.373 321 HA ALA 44 HA ALA 44 -2.437 -8.685 1.344 322 HB1 ALA 44 3HB ALA 44 -2.689 -11.678 0.884 323 HB2 ALA 44 1HB ALA 44 -3.242 -10.382 -0.194 324 HB3 ALA 44 2HB ALA 44 -1.513 -10.585 0.139 325 HA PRO 45 HA PRO 45 -6.502 -10.578 3.241 326 HB2 PRO 45 2HB PRO 45 -5.424 -11.505 5.894 327 HB3 PRO 45 3HB PRO 45 -6.763 -12.181 4.917 328 HG2 PRO 45 2HG PRO 45 -4.345 -13.395 4.999 329 HG3 PRO 45 3HG PRO 45 -5.241 -13.262 3.442 330 HD2 PRO 45 2HD PRO 45 -2.992 -11.525 4.483 331 HD3 PRO 45 3HD PRO 45 -3.183 -12.263 2.869 332 H VAL 46 H VAL 46 -3.909 -9.193 5.293 333 HA VAL 46 HA VAL 46 -5.635 -7.608 6.971 334 HB VAL 46 HB VAL 46 -2.678 -7.271 6.309 335 HG11 VAL 46 1HG1 VAL 46 -4.277 -6.044 8.537 336 HG12 VAL 46 2HG1 VAL 46 -2.504 -5.996 8.385 337 HG13 VAL 46 3HG1 VAL 46 -3.522 -5.190 7.193 338 HG21 VAL 46 3HG2 VAL 46 -4.033 -8.647 8.666 339 HG22 VAL 46 1HG2 VAL 46 -3.148 -9.453 7.355 340 HG23 VAL 46 2HG2 VAL 46 -2.285 -8.394 8.455 341 H LEU 47 H LEU 47 -4.019 -7.044 3.865 342 HA LEU 47 HA LEU 47 -4.581 -4.209 3.668 343 HB2 LEU 47 2HB LEU 47 -4.272 -6.039 1.257 344 HB3 LEU 47 3HB LEU 47 -3.797 -4.358 1.418 345 HG LEU 47 HG LEU 47 -2.615 -6.762 2.756 346 HD11 LEU 47 1HD1 LEU 47 -2.150 -6.616 0.334 347 HD12 LEU 47 2HD1 LEU 47 -0.662 -6.404 1.273 348 HD13 LEU 47 3HD1 LEU 47 -1.464 -4.987 0.563 349 HD21 LEU 47 3HD2 LEU 47 -1.594 -3.873 2.810 350 HD22 LEU 47 1HD2 LEU 47 -0.696 -5.271 3.437 351 HD23 LEU 47 2HD2 LEU 47 -2.213 -4.787 4.203 352 H GLU 48 H GLU 48 -6.082 -7.119 2.235 353 HA GLU 48 HA GLU 48 -8.371 -5.887 1.035 354 HB2 GLU 48 2HB GLU 48 -7.870 -8.640 2.234 355 HB3 GLU 48 3HB GLU 48 -9.380 -8.194 1.427 356 HG2 GLU 48 2HG GLU 48 -8.123 -7.657 -0.639 357 HG3 GLU 48 3HG GLU 48 -6.614 -8.122 0.142 358 H GLU 49 H GLU 49 -7.756 -6.983 4.373 359 HA GLU 49 HA GLU 49 -10.574 -6.575 5.103 360 HB2 GLU 49 2HB GLU 49 -8.150 -7.350 6.733 361 HB3 GLU 49 3HB GLU 49 -9.679 -6.910 7.492 362 HG2 GLU 49 2HG GLU 49 -10.899 -8.618 6.255 363 HG3 GLU 49 3HG GLU 49 -9.453 -9.096 5.381 364 H ILE 50 H ILE 50 -7.590 -4.684 5.934 365 HA ILE 50 HA ILE 50 -9.099 -2.642 7.316 366 HB ILE 50 HB ILE 50 -6.420 -2.602 5.938 367 HG12 ILE 50 2HG1 ILE 50 -6.482 -4.092 7.909 368 HG13 ILE 50 3HG1 ILE 50 -5.438 -2.713 8.183 369 HG21 ILE 50 1HG2 ILE 50 -7.660 -0.423 7.657 370 HG22 ILE 50 2HG2 ILE 50 -5.924 -0.524 7.281 371 HG23 ILE 50 3HG2 ILE 50 -7.093 -0.308 5.981 372 HD11 ILE 50 3HD1 ILE 50 -8.245 -3.068 9.319 373 HD12 ILE 50 1HD1 ILE 50 -6.712 -3.233 10.185 374 HD13 ILE 50 2HD1 ILE 50 -7.202 -1.647 9.584 375 H ALA 51 H ALA 51 -8.209 -3.012 3.823 376 HA ALA 51 HA ALA 51 -9.226 -0.449 3.037 377 HB1 ALA 51 3HB ALA 51 -9.147 -3.056 1.454 378 HB2 ALA 51 1HB ALA 51 -9.321 -1.419 0.788 379 HB3 ALA 51 2HB ALA 51 -7.814 -1.890 1.587 380 H THR 52 H THR 52 -10.854 -3.649 3.428 381 HA THR 52 HA THR 52 -13.396 -2.623 2.427 382 HB THR 52 HB THR 52 -12.779 -5.208 3.888 383 HG1 THR 52 HG1 THR 52 -11.617 -5.264 2.125 384 HG21 THR 52 3HG2 THR 52 -15.208 -4.811 3.787 385 HG22 THR 52 1HG2 THR 52 -14.756 -6.057 2.616 386 HG23 THR 52 2HG2 THR 52 -15.092 -4.403 2.059 387 H GLU 53 H GLU 53 -11.970 -3.013 5.685 388 HA GLU 53 HA GLU 53 -14.559 -2.579 7.014 389 HB2 GLU 53 2HB GLU 53 -11.704 -2.874 8.004 390 HB3 GLU 53 3HB GLU 53 -13.081 -2.664 9.075 391 HG2 GLU 53 2HG GLU 53 -13.126 -4.918 7.035 392 HG3 GLU 53 3HG GLU 53 -12.183 -5.077 8.498 393 H ARG 54 H ARG 54 -11.764 -0.613 6.199 394 HA ARG 54 HA ARG 54 -12.939 1.787 7.566 395 HB2 ARG 54 2HB ARG 54 -10.053 1.032 7.057 396 HB3 ARG 54 3HB ARG 54 -10.559 2.548 7.771 397 HG2 ARG 54 2HG ARG 54 -11.490 0.037 9.154 398 HG3 ARG 54 3HG ARG 54 -9.775 0.400 9.205 399 HD2 ARG 54 2HD ARG 54 -11.033 1.283 11.164 400 HD3 ARG 54 3HD ARG 54 -10.105 2.488 10.276 401 HE ARG 54 HE ARG 54 -12.045 3.605 9.658 402 HH11 ARG 54 1HH2 ARG 54 -13.137 0.562 11.047 403 HH12 ARG 54 2HH2 ARG 54 -14.800 1.079 10.980 404 HH21 ARG 54 1HH1 ARG 54 -13.989 4.160 9.613 405 HH22 ARG 54 2HH1 ARG 54 -15.307 3.132 10.189 406 H ALA 55 H ALA 55 -13.487 0.806 4.825 407 HA ALA 55 HA ALA 55 -12.213 2.136 2.779 408 HB1 ALA 55 3HB ALA 55 -14.330 1.866 1.548 409 HB2 ALA 55 1HB ALA 55 -14.022 0.435 2.546 410 HB3 ALA 55 2HB ALA 55 -15.215 1.640 3.071 411 H THR 56 H THR 56 -14.522 3.598 5.041 412 HA THR 56 HA THR 56 -14.877 6.084 3.556 413 HB THR 56 HB THR 56 -15.977 6.811 5.728 414 HG1 THR 56 HG1 THR 56 -16.360 5.167 7.222 415 HG21 THR 56 3HG2 THR 56 -17.275 5.805 3.865 416 HG22 THR 56 1HG2 THR 56 -17.940 5.375 5.449 417 HG23 THR 56 2HG2 THR 56 -16.984 4.185 4.538 418 H ASP 57 H ASP 57 -12.444 4.918 5.706 419 HA ASP 57 HA ASP 57 -11.452 7.665 6.330 420 HB2 ASP 57 2HB ASP 57 -10.700 4.947 7.460 421 HB3 ASP 57 3HB ASP 57 -9.962 6.475 7.916 422 H LEU 58 H LEU 58 -10.440 4.578 4.766 423 HA LEU 58 HA LEU 58 -8.481 6.075 3.174 424 HB2 LEU 58 2HB LEU 58 -6.521 5.033 3.870 425 HB3 LEU 58 3HB LEU 58 -7.330 5.533 5.321 426 HG LEU 58 HG LEU 58 -6.323 3.529 5.814 427 HD11 LEU 58 1HD1 LEU 58 -9.121 2.565 5.182 428 HD12 LEU 58 2HD1 LEU 58 -8.726 3.626 6.550 429 HD13 LEU 58 3HD1 LEU 58 -8.022 2.001 6.455 430 HD21 LEU 58 3HD2 LEU 58 -7.539 2.027 3.490 431 HD22 LEU 58 1HD2 LEU 58 -6.331 1.491 4.657 432 HD23 LEU 58 2HD2 LEU 58 -5.902 2.741 3.485 433 H THR 59 H THR 59 -7.277 4.722 1.628 434 HA THR 59 HA THR 59 -8.659 2.197 0.805 435 HB THR 59 HB THR 59 -7.735 4.468 -0.967 436 HG1 THR 59 HG1 THR 59 -9.789 3.826 -1.919 437 HG21 THR 59 3HG2 THR 59 -8.247 1.572 -1.818 438 HG22 THR 59 1HG2 THR 59 -6.718 2.469 -2.000 439 HG23 THR 59 2HG2 THR 59 -8.136 2.962 -2.921 440 H VAL 60 H VAL 60 -7.303 0.468 0.443 441 HA VAL 60 HA VAL 60 -4.365 0.963 0.672 442 HB VAL 60 HB VAL 60 -5.656 -1.743 1.003 443 HG11 VAL 60 1HG1 VAL 60 -3.431 -2.212 2.091 444 HG12 VAL 60 2HG1 VAL 60 -3.321 -1.861 0.360 445 HG13 VAL 60 3HG1 VAL 60 -2.875 -0.623 1.552 446 HG21 VAL 60 3HG2 VAL 60 -5.247 -1.518 3.421 447 HG22 VAL 60 1HG2 VAL 60 -4.764 0.176 3.194 448 HG23 VAL 60 2HG2 VAL 60 -6.433 -0.336 2.875 449 H ALA 61 H ALA 61 -3.178 0.761 -1.040 450 HA ALA 61 HA ALA 61 -4.237 -0.501 -3.514 451 HB1 ALA 61 3HB ALA 61 -2.897 1.187 -4.712 452 HB2 ALA 61 1HB ALA 61 -4.059 1.959 -3.613 453 HB3 ALA 61 2HB ALA 61 -2.347 1.853 -3.162 454 H LYS 62 H LYS 62 -2.707 -1.498 -4.916 455 HA LYS 62 HA LYS 62 -0.292 -2.648 -3.555 456 HB2 LYS 62 2HB LYS 62 -2.047 -3.847 -5.742 457 HB3 LYS 62 3HB LYS 62 -0.741 -4.661 -4.908 458 HG2 LYS 62 2HG LYS 62 -3.388 -3.741 -3.666 459 HG3 LYS 62 3HG LYS 62 -3.007 -5.369 -4.177 460 HD2 LYS 62 2HD LYS 62 -1.614 -3.878 -1.900 461 HD3 LYS 62 3HD LYS 62 -2.873 -5.103 -1.753 462 HE2 LYS 62 2HE LYS 62 -1.207 -6.625 -1.625 463 HE3 LYS 62 3HE LYS 62 -1.138 -6.440 -3.372 464 HZ1 LYS 62 3HZ LYS 62 0.564 -4.541 -2.768 465 HZ2 LYS 62 1HZ LYS 62 1.036 -6.100 -2.692 466 HZ3 LYS 62 2HZ LYS 62 0.663 -5.334 -1.323 467 H LEU 63 H LEU 63 1.656 -2.386 -4.488 468 HA LEU 63 HA LEU 63 1.711 -1.846 -7.434 469 HB2 LEU 63 2HB LEU 63 2.598 0.082 -6.217 470 HB3 LEU 63 3HB LEU 63 3.797 -0.929 -5.434 471 HG LEU 63 HG LEU 63 4.619 0.456 -7.342 472 HD11 LEU 63 1HD1 LEU 63 5.729 -1.773 -6.658 473 HD12 LEU 63 2HD1 LEU 63 6.152 -1.039 -8.220 474 HD13 LEU 63 3HD1 LEU 63 5.054 -2.408 -8.169 475 HD21 LEU 63 3HD2 LEU 63 4.218 -0.217 -9.656 476 HD22 LEU 63 1HD2 LEU 63 2.724 0.312 -8.860 477 HD23 LEU 63 2HD2 LEU 63 3.042 -1.415 -9.142 478 H ASP 64 H ASP 64 2.413 -3.424 -8.580 479 HA ASP 64 HA ASP 64 3.452 -5.873 -7.236 480 HB2 ASP 64 2HB ASP 64 2.224 -5.378 -9.965 481 HB3 ASP 64 3HB ASP 64 2.900 -6.922 -9.442 482 H VAL 65 H VAL 65 5.691 -5.567 -7.015 483 HA VAL 65 HA VAL 65 7.298 -4.320 -9.051 484 HB VAL 65 HB VAL 65 7.824 -4.527 -6.586 485 HG11 VAL 65 1HG1 VAL 65 9.144 -6.412 -5.806 486 HG12 VAL 65 2HG1 VAL 65 7.576 -7.011 -6.363 487 HG13 VAL 65 3HG1 VAL 65 9.014 -7.226 -7.374 488 HG21 VAL 65 3HG2 VAL 65 10.084 -5.274 -8.475 489 HG22 VAL 65 1HG2 VAL 65 9.417 -3.643 -8.258 490 HG23 VAL 65 2HG2 VAL 65 10.214 -4.459 -6.905 491 H ASP 66 H ASP 66 6.060 -7.508 -8.803 492 HA ASP 66 HA ASP 66 7.897 -8.861 -10.572 493 HB2 ASP 66 2HB ASP 66 6.391 -9.892 -8.838 494 HB3 ASP 66 3HB ASP 66 5.011 -9.522 -9.871 495 H THR 67 H THR 67 5.198 -6.690 -11.213 496 HA THR 67 HA THR 67 5.336 -7.380 -14.137 497 HB THR 67 HB THR 67 2.941 -6.881 -14.363 498 HG1 THR 67 HG1 THR 67 2.907 -7.080 -11.545 499 HG21 THR 67 3HG2 THR 67 2.072 -8.966 -13.462 500 HG22 THR 67 1HG2 THR 67 3.478 -9.140 -12.390 501 HG23 THR 67 2HG2 THR 67 3.683 -9.229 -14.152 502 H ASN 68 H ASN 68 5.132 -4.771 -11.783 503 HA ASN 68 HA ASN 68 5.950 -2.933 -13.939 504 HB2 ASN 68 2HB ASN 68 3.435 -2.778 -13.691 505 HB3 ASN 68 3HB ASN 68 3.684 -2.188 -12.047 506 HD21 ASN 68 1HD2 ASN 68 4.616 -1.551 -15.474 507 HD22 ASN 68 2HD2 ASN 68 4.722 0.188 -15.256 508 HA PRO 69 HA PRO 69 8.476 -2.442 -10.070 509 HB2 PRO 69 2HB PRO 69 10.962 -2.602 -11.199 510 HB3 PRO 69 3HB PRO 69 9.996 -4.046 -10.782 511 HG2 PRO 69 2HG PRO 69 10.205 -2.673 -13.482 512 HG3 PRO 69 3HG PRO 69 10.414 -4.416 -13.111 513 HD2 PRO 69 2HD PRO 69 8.058 -3.428 -14.018 514 HD3 PRO 69 3HD PRO 69 8.094 -4.719 -12.780 515 H GLU 70 H GLU 70 7.826 -0.624 -12.847 516 HA GLU 70 HA GLU 70 9.791 1.387 -12.838 517 HB2 GLU 70 2HB GLU 70 6.866 1.474 -13.660 518 HB3 GLU 70 3HB GLU 70 8.041 2.736 -14.041 519 HG2 GLU 70 2HG GLU 70 8.220 -0.159 -14.953 520 HG3 GLU 70 3HG GLU 70 7.650 1.189 -15.926 521 H THR 71 H THR 71 6.660 1.425 -10.963 522 HA THR 71 HA THR 71 7.538 3.858 -9.646 523 HB THR 71 HB THR 71 5.530 2.942 -8.034 524 HG1 THR 71 HG1 THR 71 3.910 2.431 -9.548 525 HG21 THR 71 3HG2 THR 71 5.810 5.229 -8.816 526 HG22 THR 71 1HG2 THR 71 4.184 4.662 -9.231 527 HG23 THR 71 2HG2 THR 71 5.451 4.741 -10.480 528 H ALA 72 H ALA 72 8.040 0.459 -8.931 529 HA ALA 72 HA ALA 72 8.822 0.852 -6.180 530 HB1 ALA 72 3HB ALA 72 8.325 -1.377 -7.173 531 HB2 ALA 72 1HB ALA 72 9.798 -1.246 -8.162 532 HB3 ALA 72 2HB ALA 72 9.917 -1.311 -6.398 533 H ARG 73 H ARG 73 10.676 1.061 -9.265 534 HA ARG 73 HA ARG 73 13.066 2.009 -7.858 535 HB2 ARG 73 2HB ARG 73 14.116 2.255 -9.955 536 HB3 ARG 73 3HB ARG 73 13.245 0.723 -9.934 537 HG2 ARG 73 2HG ARG 73 11.443 1.731 -11.304 538 HG3 ARG 73 3HG ARG 73 12.316 3.276 -11.325 539 HD2 ARG 73 2HD ARG 73 14.260 2.041 -12.407 540 HD3 ARG 73 3HD ARG 73 13.228 0.616 -12.495 541 HE ARG 73 HE ARG 73 11.979 1.565 -14.224 542 HH11 ARG 73 1HH1 ARG 73 14.260 3.994 -13.090 543 HH12 ARG 73 2HH1 ARG 73 13.911 5.056 -14.427 544 HH21 ARG 73 1HH2 ARG 73 11.505 3.011 -15.809 545 HH22 ARG 73 2HH2 ARG 73 12.422 4.495 -15.944 546 H ASN 74 H ASN 74 10.301 3.684 -9.326 547 HA ASN 74 HA ASN 74 11.309 6.327 -9.257 548 HB2 ASN 74 2HB ASN 74 9.035 5.582 -10.153 549 HB3 ASN 74 3HB ASN 74 8.489 5.455 -8.485 550 HD21 ASN 74 1HD2 ASN 74 7.730 7.305 -7.442 551 HD22 ASN 74 2HD2 ASN 74 7.883 8.898 -8.155 552 H PHE 75 H PHE 75 9.780 4.444 -6.630 553 HA PHE 75 HA PHE 75 10.449 6.534 -4.642 554 HB2 PHE 75 2HB PHE 75 8.699 4.061 -4.511 555 HB3 PHE 75 3HB PHE 75 8.954 5.169 -3.173 556 HD1 PHE 75 HD1 PHE 75 8.522 7.744 -3.687 557 HD2 PHE 75 HD2 PHE 75 6.808 4.467 -5.900 558 HE1 PHE 75 HE1 PHE 75 6.699 9.230 -4.481 559 HE2 PHE 75 HE2 PHE 75 4.984 5.956 -6.686 560 HZ PHE 75 HZ PHE 75 4.928 8.337 -5.984 561 H GLN 76 H GLN 76 12.308 4.249 -5.887 562 HA GLN 76 HA GLN 76 14.022 2.946 -5.246 563 HB2 GLN 76 2HB GLN 76 14.677 5.353 -4.758 564 HB3 GLN 76 3HB GLN 76 14.453 4.984 -3.044 565 HG2 GLN 76 2HG GLN 76 16.180 3.162 -3.263 566 HG3 GLN 76 3HG GLN 76 16.354 3.558 -4.972 567 HE21 GLN 76 1HE2 GLN 76 18.691 3.642 -3.812 568 HE22 GLN 76 2HE2 GLN 76 19.169 5.276 -3.373 569 H VAL 77 H VAL 77 11.899 1.637 -4.482 570 HA VAL 77 HA VAL 77 11.981 0.825 -1.656 571 HB VAL 77 HB VAL 77 10.419 -0.281 -4.021 572 HG11 VAL 77 1HG1 VAL 77 9.042 -1.395 -2.262 573 HG12 VAL 77 2HG1 VAL 77 10.677 -2.042 -2.335 574 HG13 VAL 77 3HG1 VAL 77 10.233 -0.907 -1.039 575 HG21 VAL 77 3HG2 VAL 77 9.732 2.004 -3.396 576 HG22 VAL 77 1HG2 VAL 77 8.507 0.844 -2.885 577 HG23 VAL 77 2HG2 VAL 77 9.620 1.525 -1.687 578 H VAL 78 H VAL 78 13.315 -0.604 -0.830 579 HA VAL 78 HA VAL 78 15.091 -2.147 -2.632 580 HB VAL 78 HB VAL 78 15.975 -0.415 -1.108 581 HG11 VAL 78 1HG1 VAL 78 16.269 -0.856 1.267 582 HG12 VAL 78 2HG1 VAL 78 14.545 -0.815 0.885 583 HG13 VAL 78 3HG1 VAL 78 15.361 -2.374 1.147 584 HG21 VAL 78 3HG2 VAL 78 17.937 -1.618 -0.410 585 HG22 VAL 78 1HG2 VAL 78 17.096 -3.174 -0.512 586 HG23 VAL 78 2HG2 VAL 78 17.409 -2.231 -1.987 587 H SER 79 H SER 79 12.636 -2.803 -0.247 588 HA SER 79 HA SER 79 13.164 -5.725 -0.462 589 HB2 SER 79 2HB SER 79 14.115 -4.765 1.680 590 HB3 SER 79 3HB SER 79 12.455 -4.351 2.152 591 HG SER 79 HG SER 79 13.188 -6.431 2.926 592 H ILE 80 H ILE 80 11.259 -7.002 0.337 593 HA ILE 80 HA ILE 80 8.669 -5.632 0.052 594 HB ILE 80 HB ILE 80 7.758 -7.401 -1.390 595 HG12 ILE 80 2HG1 ILE 80 10.657 -8.177 -1.945 596 HG13 ILE 80 3HG1 ILE 80 9.513 -9.147 -1.019 597 HG21 ILE 80 1HG2 ILE 80 8.449 -6.372 -3.440 598 HG22 ILE 80 2HG2 ILE 80 8.493 -5.129 -2.191 599 HG23 ILE 80 3HG2 ILE 80 10.005 -5.871 -2.744 600 HD11 ILE 80 3HD1 ILE 80 9.291 -8.460 -3.974 601 HD12 ILE 80 1HD1 ILE 80 9.641 -10.035 -3.249 602 HD13 ILE 80 2HD1 ILE 80 8.040 -9.304 -3.030 603 HA PRO 81 HA PRO 81 6.457 -6.095 0.319 604 HB2 PRO 81 2HB PRO 81 4.676 -5.801 2.345 605 HB3 PRO 81 3HB PRO 81 4.714 -7.258 1.306 606 HG2 PRO 81 2HG PRO 81 5.960 -6.869 4.045 607 HG3 PRO 81 3HG PRO 81 4.943 -8.230 3.483 608 HD2 PRO 81 2HD PRO 81 7.684 -8.345 3.496 609 HD3 PRO 81 3HD PRO 81 6.709 -9.151 2.234 610 H THR 82 H THR 82 6.289 -3.861 0.475 611 HA THR 82 HA THR 82 7.311 -2.476 2.915 612 HB THR 82 HB THR 82 8.194 -1.845 0.081 613 HG1 THR 82 HG1 THR 82 9.738 -3.044 0.806 614 HG21 THR 82 3HG2 THR 82 7.746 0.302 1.149 615 HG22 THR 82 1HG2 THR 82 9.489 0.013 1.181 616 HG23 THR 82 2HG2 THR 82 8.525 -0.236 2.655 617 H LEU 83 H LEU 83 5.876 -1.134 3.659 618 HA LEU 83 HA LEU 83 3.608 -0.300 1.923 619 HB2 LEU 83 2HB LEU 83 3.729 -0.645 4.945 620 HB3 LEU 83 3HB LEU 83 2.356 -0.070 4.007 621 HG LEU 83 HG LEU 83 2.525 -2.335 2.719 622 HD11 LEU 83 1HD1 LEU 83 3.249 -4.236 4.217 623 HD12 LEU 83 2HD1 LEU 83 4.015 -3.052 5.297 624 HD13 LEU 83 3HD1 LEU 83 4.600 -3.287 3.639 625 HD21 LEU 83 3HD2 LEU 83 1.619 -2.273 5.607 626 HD22 LEU 83 1HD2 LEU 83 1.066 -3.415 4.362 627 HD23 LEU 83 2HD2 LEU 83 0.682 -1.699 4.202 628 H ILE 84 H ILE 84 3.146 1.822 1.660 629 HA ILE 84 HA ILE 84 4.531 3.830 3.365 630 HB ILE 84 HB ILE 84 5.790 3.379 1.288 631 HG12 ILE 84 2HG1 ILE 84 5.946 5.521 2.554 632 HG13 ILE 84 3HG1 ILE 84 6.513 5.505 0.900 633 HG21 ILE 84 1HG2 ILE 84 3.440 4.610 -0.166 634 HG22 ILE 84 2HG2 ILE 84 5.036 4.262 -0.866 635 HG23 ILE 84 3HG2 ILE 84 4.014 2.940 -0.273 636 HD11 ILE 84 3HD1 ILE 84 4.590 6.757 0.126 637 HD12 ILE 84 1HD1 ILE 84 3.848 6.716 1.740 638 HD13 ILE 84 2HD1 ILE 84 5.363 7.588 1.481 639 H LEU 85 H LEU 85 3.362 5.493 3.998 640 HA LEU 85 HA LEU 85 0.452 5.418 3.312 641 HB2 LEU 85 2HB LEU 85 0.941 4.507 5.457 642 HB3 LEU 85 3HB LEU 85 1.954 5.879 5.895 643 HG LEU 85 HG LEU 85 0.067 7.344 6.116 644 HD11 LEU 85 1HD1 LEU 85 -1.444 6.562 4.329 645 HD12 LEU 85 2HD1 LEU 85 -2.270 6.584 5.885 646 HD13 LEU 85 3HD1 LEU 85 -1.696 5.051 5.206 647 HD21 LEU 85 3HD2 LEU 85 -1.106 6.199 7.961 648 HD22 LEU 85 1HD2 LEU 85 0.617 5.801 8.000 649 HD23 LEU 85 2HD2 LEU 85 -0.551 4.622 7.370 650 H PHE 86 H PHE 86 -0.325 7.049 2.319 651 HA PHE 86 HA PHE 86 0.818 9.790 2.509 652 HB2 PHE 86 2HB PHE 86 -1.165 8.596 0.529 653 HB3 PHE 86 3HB PHE 86 -0.526 10.225 0.483 654 HD1 PHE 86 HD2 PHE 86 0.375 6.618 0.064 655 HD2 PHE 86 HD1 PHE 86 1.542 10.705 -0.645 656 HE1 PHE 86 HE2 PHE 86 2.155 5.855 -1.481 657 HE2 PHE 86 HE1 PHE 86 3.349 9.933 -2.147 658 HZ PHE 86 HZ PHE 86 3.664 7.502 -2.570 659 H LYS 87 H LYS 87 -0.522 11.522 3.157 660 HA LYS 87 HA LYS 87 -3.060 10.758 4.562 661 HB2 LYS 87 2HB LYS 87 -1.216 11.960 5.748 662 HB3 LYS 87 3HB LYS 87 -1.483 13.356 4.696 663 HG2 LYS 87 2HG LYS 87 -3.897 13.388 5.541 664 HG3 LYS 87 3HG LYS 87 -3.445 12.136 6.697 665 HD2 LYS 87 2HD LYS 87 -2.263 14.940 6.494 666 HD3 LYS 87 3HD LYS 87 -3.457 14.397 7.680 667 HE2 LYS 87 2HE LYS 87 -1.860 12.832 8.657 668 HE3 LYS 87 3HE LYS 87 -0.640 13.260 7.444 669 HZ1 LYS 87 3HZ LYS 87 -0.360 14.457 9.586 670 HZ2 LYS 87 1HZ LYS 87 -1.805 15.201 9.369 671 HZ3 LYS 87 2HZ LYS 87 -0.577 15.492 8.337 672 H ASP 88 H ASP 88 -1.923 13.090 2.158 673 HA ASP 88 HA ASP 88 -4.640 13.317 0.975 674 HB2 ASP 88 2HB ASP 88 -4.455 15.038 2.762 675 HB3 ASP 88 3HB ASP 88 -3.004 15.677 1.998 676 H GLY 89 H GLY 89 -2.913 11.856 -0.304 677 HA2 GLY 89 2HA GLY 89 -1.626 11.515 -2.148 678 HA3 GLY 89 3HA GLY 89 -1.994 13.152 -2.704 679 H GLN 90 H GLN 90 -0.609 12.852 0.424 680 HA GLN 90 HA GLN 90 2.102 13.663 -0.482 681 HB2 GLN 90 2HB GLN 90 0.296 14.924 1.607 682 HB3 GLN 90 3HB GLN 90 2.030 15.249 1.523 683 HG2 GLN 90 2HG GLN 90 1.876 16.349 -0.563 684 HG3 GLN 90 3HG GLN 90 0.304 15.658 -0.943 685 HE21 GLN 90 1HE2 GLN 90 -1.624 16.524 0.003 686 HE22 GLN 90 2HE2 GLN 90 -1.590 18.095 0.793 687 HA PRO 91 HA PRO 91 2.880 10.156 2.136 688 HB2 PRO 91 2HB PRO 91 5.592 10.000 2.062 689 HB3 PRO 91 3HB PRO 91 4.554 9.694 0.633 690 HG2 PRO 91 2HG PRO 91 5.992 12.265 1.363 691 HG3 PRO 91 3HG PRO 91 5.994 11.403 -0.210 692 HD2 PRO 91 2HD PRO 91 4.319 13.496 0.284 693 HD3 PRO 91 3HD PRO 91 3.799 12.096 -0.703 694 H VAL 92 H VAL 92 3.193 9.643 4.248 695 HA VAL 92 HA VAL 92 4.401 11.702 6.069 696 HB VAL 92 HB VAL 92 2.329 9.642 6.889 697 HG11 VAL 92 1HG1 VAL 92 3.694 10.489 8.743 698 HG12 VAL 92 2HG1 VAL 92 3.453 12.165 8.197 699 HG13 VAL 92 3HG1 VAL 92 2.092 11.224 8.828 700 HG21 VAL 92 3HG2 VAL 92 1.235 11.153 5.303 701 HG22 VAL 92 1HG2 VAL 92 0.752 11.573 6.946 702 HG23 VAL 92 2HG2 VAL 92 1.957 12.571 6.102 703 H LYS 93 H LYS 93 4.105 8.144 5.583 704 HA LYS 93 HA LYS 93 6.820 7.802 6.661 705 HB2 LYS 93 2HB LYS 93 6.238 6.221 8.381 706 HB3 LYS 93 3HB LYS 93 5.461 7.764 8.706 707 HG2 LYS 93 2HG LYS 93 3.283 6.906 8.053 708 HG3 LYS 93 3HG LYS 93 3.999 5.444 7.362 709 HD2 LYS 93 2HD LYS 93 3.068 4.814 9.453 710 HD3 LYS 93 3HD LYS 93 4.825 4.778 9.613 711 HE2 LYS 93 2HE LYS 93 4.567 7.194 10.597 712 HE3 LYS 93 3HE LYS 93 2.844 6.811 10.702 713 HZ1 LYS 93 3HZ LYS 93 5.077 5.453 12.087 714 HZ2 LYS 93 1HZ LYS 93 3.617 4.748 11.978 715 HZ3 LYS 93 2HZ LYS 93 3.789 6.216 12.758 716 H ARG 94 H ARG 94 7.749 5.794 6.383 717 HA ARG 94 HA ARG 94 6.412 3.812 4.587 718 HB2 ARG 94 2HB ARG 94 8.187 5.155 3.411 719 HB3 ARG 94 3HB ARG 94 9.368 4.559 4.580 720 HG2 ARG 94 2HG ARG 94 8.850 2.204 3.846 721 HG3 ARG 94 3HG ARG 94 7.747 2.853 2.627 722 HD2 ARG 94 2HD ARG 94 10.744 3.391 2.826 723 HD3 ARG 94 3HD ARG 94 9.961 2.261 1.710 724 HE ARG 94 HE ARG 94 8.948 4.992 1.492 725 HH11 ARG 94 1HH1 ARG 94 11.554 2.927 0.328 726 HH12 ARG 94 2HH1 ARG 94 11.702 3.871 -1.146 727 HH21 ARG 94 1HH2 ARG 94 9.337 6.167 -0.377 728 HH22 ARG 94 2HH2 ARG 94 10.558 5.575 -1.489 729 H ILE 95 H ILE 95 6.511 1.740 5.245 730 HA ILE 95 HA ILE 95 8.265 0.980 7.511 731 HB ILE 95 HB ILE 95 5.500 -0.176 7.529 732 HG12 ILE 95 2HG1 ILE 95 4.873 1.600 9.301 733 HG13 ILE 95 3HG1 ILE 95 6.019 2.658 8.496 734 HG21 ILE 95 1HG2 ILE 95 7.360 -0.951 9.005 735 HG22 ILE 95 2HG2 ILE 95 7.485 0.682 9.688 736 HG23 ILE 95 3HG2 ILE 95 6.023 -0.276 9.950 737 HD11 ILE 95 3HD1 ILE 95 3.612 1.286 7.178 738 HD12 ILE 95 1HD1 ILE 95 3.629 2.950 7.779 739 HD13 ILE 95 2HD1 ILE 95 4.649 2.507 6.408 740 H VAL 96 H VAL 96 9.328 -0.879 7.171 741 HA VAL 96 HA VAL 96 8.657 -2.516 4.782 742 HB VAL 96 HB VAL 96 10.880 -3.428 4.947 743 HG11 VAL 96 1HG1 VAL 96 10.526 -1.312 3.709 744 HG12 VAL 96 2HG1 VAL 96 10.978 -0.390 5.158 745 HG13 VAL 96 3HG1 VAL 96 12.161 -1.451 4.368 746 HG21 VAL 96 3HG2 VAL 96 12.556 -2.581 6.524 747 HG22 VAL 96 1HG2 VAL 96 11.332 -1.598 7.350 748 HG23 VAL 96 2HG2 VAL 96 11.243 -3.373 7.401 749 H GLY 97 H GLY 97 8.651 -4.833 4.837 750 HA2 GLY 97 2HA GLY 97 8.407 -6.939 5.730 751 HA3 GLY 97 3HA GLY 97 8.694 -6.313 7.352 752 H ALA 98 H ALA 98 6.894 -8.126 7.354 753 HA ALA 98 HA ALA 98 4.269 -7.468 6.534 754 HB1 ALA 98 3HB ALA 98 5.206 -9.500 8.593 755 HB2 ALA 98 1HB ALA 98 3.609 -9.475 7.819 756 HB3 ALA 98 2HB ALA 98 5.055 -9.762 6.839 757 H LYS 99 H LYS 99 2.337 -7.115 7.765 758 HA LYS 99 HA LYS 99 2.499 -6.269 10.593 759 HB2 LYS 99 2HB LYS 99 1.168 -4.587 8.405 760 HB3 LYS 99 3HB LYS 99 0.764 -4.463 10.105 761 HG2 LYS 99 2HG LYS 99 2.307 -2.857 10.204 762 HG3 LYS 99 3HG LYS 99 3.449 -4.185 10.327 763 HD2 LYS 99 2HD LYS 99 3.441 -4.013 7.642 764 HD3 LYS 99 3HD LYS 99 2.735 -2.433 7.956 765 HE2 LYS 99 2HE LYS 99 5.061 -2.079 7.757 766 HE3 LYS 99 3HE LYS 99 4.709 -1.960 9.494 767 HZ1 LYS 99 3HZ LYS 99 6.690 -3.347 9.056 768 HZ2 LYS 99 1HZ LYS 99 5.839 -4.298 8.058 769 HZ3 LYS 99 2HZ LYS 99 5.497 -4.325 9.651 770 H GLY 100 H GLY 100 0.601 -6.587 11.753 771 HA2 GLY 100 2HA GLY 100 -1.579 -8.232 10.563 772 HA3 GLY 100 3HA GLY 100 -1.311 -7.928 12.276 773 H LYS 101 H LYS 101 -3.825 -7.486 11.309 774 HA LYS 101 HA LYS 101 -4.471 -4.900 10.320 775 HB2 LYS 101 2HB LYS 101 -5.969 -6.764 12.211 776 HB3 LYS 101 3HB LYS 101 -6.673 -5.281 11.550 777 HG2 LYS 101 2HG LYS 101 -6.376 -6.119 9.262 778 HG3 LYS 101 3HG LYS 101 -5.705 -7.637 9.887 779 HD2 LYS 101 2HD LYS 101 -8.506 -6.570 10.440 780 HD3 LYS 101 3HD LYS 101 -8.077 -7.773 9.218 781 HE2 LYS 101 2HE LYS 101 -7.217 -9.284 10.989 782 HE3 LYS 101 3HE LYS 101 -7.718 -8.120 12.225 783 HZ1 LYS 101 3HZ LYS 101 -10.006 -8.412 11.517 784 HZ2 LYS 101 1HZ LYS 101 -9.387 -9.896 11.807 785 HZ3 LYS 101 2HZ LYS 101 -9.578 -9.367 10.264 786 H ALA 102 H ALA 102 -3.834 -5.845 13.655 787 HA ALA 102 HA ALA 102 -4.631 -3.342 14.837 788 HB1 ALA 102 3HB ALA 102 -4.462 -5.445 16.104 789 HB2 ALA 102 1HB ALA 102 -2.700 -5.477 15.854 790 HB3 ALA 102 2HB ALA 102 -3.441 -4.187 16.825 791 H ALA 103 H ALA 103 -1.423 -4.530 13.734 792 HA ALA 103 HA ALA 103 0.013 -2.141 14.486 793 HB1 ALA 103 3HB ALA 103 1.812 -3.122 13.104 794 HB2 ALA 103 1HB ALA 103 1.115 -4.315 14.217 795 HB3 ALA 103 2HB ALA 103 0.681 -4.348 12.491 796 H LEU 104 H LEU 104 -1.471 -3.223 11.365 797 HA LEU 104 HA LEU 104 -0.579 -0.936 9.906 798 HB2 LEU 104 2HB LEU 104 -1.483 -3.240 9.097 799 HB3 LEU 104 3HB LEU 104 -3.084 -2.534 9.298 800 HG LEU 104 HG LEU 104 -2.464 -0.732 7.669 801 HD11 LEU 104 1HD1 LEU 104 -0.059 -0.569 7.894 802 HD12 LEU 104 2HD1 LEU 104 -0.366 -1.200 6.286 803 HD13 LEU 104 3HD1 LEU 104 0.147 -2.310 7.563 804 HD21 LEU 104 3HD2 LEU 104 -2.427 -2.145 5.656 805 HD22 LEU 104 1HD2 LEU 104 -3.535 -2.820 6.854 806 HD23 LEU 104 2HD2 LEU 104 -1.924 -3.546 6.622 807 H LEU 105 H LEU 105 -3.606 -1.518 11.724 808 HA LEU 105 HA LEU 105 -4.772 1.055 11.206 809 HB2 LEU 105 2HB LEU 105 -6.024 -0.945 11.897 810 HB3 LEU 105 3HB LEU 105 -5.184 -0.936 13.447 811 HG LEU 105 HG LEU 105 -6.280 1.177 14.073 812 HD11 LEU 105 1HD1 LEU 105 -6.592 2.260 11.912 813 HD12 LEU 105 2HD1 LEU 105 -8.166 2.041 12.673 814 HD13 LEU 105 3HD1 LEU 105 -7.665 0.948 11.361 815 HD21 LEU 105 3HD2 LEU 105 -7.372 -0.978 14.581 816 HD22 LEU 105 1HD2 LEU 105 -8.239 -0.910 13.031 817 HD23 LEU 105 2HD2 LEU 105 -8.562 0.302 14.292 818 H ARG 106 H ARG 106 -2.452 -0.050 13.729 819 HA ARG 106 HA ARG 106 -2.379 2.424 15.209 820 HB2 ARG 106 2HB ARG 106 -1.365 0.367 16.055 821 HB3 ARG 106 3HB ARG 106 -0.247 0.326 14.705 822 HG2 ARG 106 2HG ARG 106 0.677 2.591 15.565 823 HG3 ARG 106 3HG ARG 106 -0.279 2.276 17.021 824 HD2 ARG 106 2HD ARG 106 1.977 1.495 17.389 825 HD3 ARG 106 3HD ARG 106 0.924 0.076 17.246 826 HE ARG 106 HE ARG 106 2.203 0.921 14.715 827 HH11 ARG 106 1HH1 ARG 106 2.709 -1.155 17.506 828 HH12 ARG 106 2HH1 ARG 106 3.822 -2.166 16.624 829 HH21 ARG 106 1HH2 ARG 106 3.547 -0.287 13.725 830 HH22 ARG 106 2HH2 ARG 106 4.326 -1.679 14.487 831 H GLU 107 H GLU 107 -0.423 1.386 12.336 832 HA GLU 107 HA GLU 107 0.963 3.880 12.053 833 HB2 GLU 107 2HB GLU 107 0.018 2.158 9.717 834 HB3 GLU 107 3HB GLU 107 1.335 3.311 9.729 835 HG2 GLU 107 2HG GLU 107 1.174 0.633 10.977 836 HG3 GLU 107 3HG GLU 107 2.310 1.186 9.780 837 H LEU 108 H LEU 108 -2.176 2.855 10.716 838 HA LEU 108 HA LEU 108 -2.732 5.270 9.354 839 HB2 LEU 108 2HB LEU 108 -3.864 3.002 9.108 840 HB3 LEU 108 3HB LEU 108 -4.634 3.278 10.664 841 HG LEU 108 HG LEU 108 -5.816 5.239 9.800 842 HD11 LEU 108 1HD1 LEU 108 -4.533 4.552 7.124 843 HD12 LEU 108 2HD1 LEU 108 -4.318 6.057 8.047 844 HD13 LEU 108 3HD1 LEU 108 -5.892 5.675 7.356 845 HD21 LEU 108 3HD2 LEU 108 -6.144 2.761 8.072 846 HD22 LEU 108 1HD2 LEU 108 -7.359 4.039 8.352 847 HD23 LEU 108 2HD2 LEU 108 -6.838 3.010 9.686 848 H SER 109 H SER 109 -3.479 4.325 12.706 849 HA SER 109 HA SER 109 -4.874 6.727 13.409 850 HB2 SER 109 2HB SER 109 -3.372 4.779 15.205 851 HB3 SER 109 3HB SER 109 -4.526 6.012 15.741 852 HG SER 109 HG SER 109 -5.022 3.734 14.112 853 H ASP 110 H ASP 110 -1.471 5.948 13.202 854 HA ASP 110 HA ASP 110 -0.583 8.291 14.650 855 HB2 ASP 110 2HB ASP 110 0.669 6.080 14.315 856 HB3 ASP 110 3HB ASP 110 1.050 6.663 12.691 857 H VAL 111 H VAL 111 -2.166 8.133 11.787 858 HA VAL 111 HA VAL 111 -0.900 10.602 10.647 859 HB VAL 111 HB VAL 111 -2.030 8.162 9.244 860 HG11 VAL 111 1HG1 VAL 111 -1.449 9.304 7.106 861 HG12 VAL 111 2HG1 VAL 111 -2.778 10.095 7.949 862 HG13 VAL 111 3HG1 VAL 111 -1.146 10.800 8.015 863 HG21 VAL 111 3HG2 VAL 111 0.329 8.269 8.197 864 HG22 VAL 111 1HG2 VAL 111 0.714 9.503 9.399 865 HG23 VAL 111 2HG2 VAL 111 0.286 7.864 9.916 866 H VAL 112 H VAL 112 -4.002 8.843 11.106 867 HA VAL 112 HA VAL 112 -5.316 11.499 11.208 868 HB VAL 112 HB VAL 112 -7.396 10.447 10.243 869 HG11 VAL 112 1HG1 VAL 112 -5.984 12.135 9.095 870 HG12 VAL 112 2HG1 VAL 112 -5.051 10.820 8.348 871 HG13 VAL 112 3HG1 VAL 112 -6.780 11.017 7.983 872 HG21 VAL 112 3HG2 VAL 112 -6.667 8.056 10.255 873 HG22 VAL 112 1HG2 VAL 112 -7.168 8.621 8.657 874 HG23 VAL 112 2HG2 VAL 112 -5.442 8.441 9.030 875 HA PRO 113 HA PRO 113 -7.517 12.317 11.955 876 HB2 PRO 113 2HB PRO 113 -8.093 13.641 14.278 877 HB3 PRO 113 3HB PRO 113 -9.147 12.382 13.571 878 HG2 PRO 113 2HG PRO 113 -7.051 12.027 15.747 879 HG3 PRO 113 3HG PRO 113 -8.766 11.497 15.767 880 HD2 PRO 113 2HD PRO 113 -6.768 9.801 15.076 881 HD3 PRO 113 3HD PRO 113 -8.332 9.764 14.208 882 H ASN 114 H ASN 114 -6.803 14.525 11.980 883 HA ASN 114 HA ASN 114 -4.044 14.457 11.512 884 HB2 ASN 114 2HB ASN 114 -5.878 15.731 10.294 885 HB3 ASN 114 3HB ASN 114 -5.855 16.909 11.607 886 HD21 ASN 114 1HD2 ASN 114 -5.035 18.704 10.484 887 HD22 ASN 114 2HD2 ASN 114 -3.479 18.675 9.667 888 H LEU 115 H LEU 115 -5.548 15.418 14.473 889 HA LEU 115 HA LEU 115 -3.456 17.226 15.337 890 HB2 LEU 115 2HB LEU 115 -4.671 17.586 17.235 891 HB3 LEU 115 3HB LEU 115 -5.893 17.327 16.009 892 HG LEU 115 HG LEU 115 -5.016 15.322 18.150 893 HD11 LEU 115 1HD1 LEU 115 -7.241 15.729 19.096 894 HD12 LEU 115 2HD1 LEU 115 -7.594 16.906 17.811 895 HD13 LEU 115 3HD1 LEU 115 -6.318 17.236 19.003 896 HD21 LEU 115 3HD2 LEU 115 -5.769 14.070 16.189 897 HD22 LEU 115 1HD2 LEU 115 -7.227 15.098 16.063 898 HD23 LEU 115 2HD2 LEU 115 -7.002 14.005 17.445 899 H ASN 116 H ASN 116 -3.327 13.919 15.036 900 HA ASN 116 HA ASN 116 -1.691 13.257 17.369 901 HB2 ASN 116 2HB ASN 116 -3.077 11.555 16.278 902 HB3 ASN 116 3HB ASN 116 -2.257 11.816 14.742 903 HD21 ASN 116 1HD2 ASN 116 0.170 11.450 14.803 904 HD22 ASN 116 2HD2 ASN 116 0.673 9.957 15.614 Start of MODEL 10 1 H1 MET 1 1H MET 1 -22.085 -1.241 -0.606 2 HA MET 1 HA MET 1 -20.514 -2.707 0.398 3 HB2 MET 1 2HB MET 1 -20.585 -5.083 0.148 4 HB3 MET 1 3HB MET 1 -22.114 -4.562 0.838 5 HG2 MET 1 2HG MET 1 -23.185 -4.784 -1.411 6 HG3 MET 1 3HG MET 1 -21.636 -5.318 -2.078 7 HE1 MET 1 3HE MET 1 -23.649 -8.618 -2.250 8 HE2 MET 1 1HE MET 1 -24.214 -6.966 -2.587 9 HE3 MET 1 2HE MET 1 -22.594 -7.480 -3.115 10 H THR 2 H THR 2 -18.694 -3.764 -0.796 11 HA THR 2 HA THR 2 -18.135 -2.499 -3.296 12 HB THR 2 HB THR 2 -16.787 -4.936 -2.086 13 HG1 THR 2 HG1 THR 2 -16.308 -2.167 -1.661 14 HG21 THR 2 3HG2 THR 2 -14.737 -4.006 -3.144 15 HG22 THR 2 1HG2 THR 2 -15.717 -2.743 -3.929 16 HG23 THR 2 2HG2 THR 2 -15.948 -4.457 -4.346 17 H ASP 3 H ASP 3 -18.112 -3.242 -5.397 18 HA ASP 3 HA ASP 3 -20.162 -4.981 -6.217 19 HB2 ASP 3 2HB ASP 3 -19.225 -3.125 -7.547 20 HB3 ASP 3 3HB ASP 3 -17.718 -4.022 -7.751 21 H SER 4 H SER 4 -20.233 -7.012 -7.136 22 HA SER 4 HA SER 4 -19.964 -9.231 -7.074 23 HB2 SER 4 2HB SER 4 -18.063 -10.163 -8.185 24 HB3 SER 4 3HB SER 4 -18.531 -8.647 -8.958 25 HG SER 4 HG SER 4 -16.839 -7.753 -7.385 26 H GLU 5 H GLU 5 -19.344 -7.834 -4.490 27 HA GLU 5 HA GLU 5 -18.614 -8.201 -2.405 28 HB2 GLU 5 2HB GLU 5 -18.825 -11.150 -3.084 29 HB3 GLU 5 3HB GLU 5 -18.661 -10.467 -1.470 30 HG2 GLU 5 2HG GLU 5 -20.750 -9.262 -1.732 31 HG3 GLU 5 3HG GLU 5 -20.960 -9.944 -3.344 32 H LYS 6 H LYS 6 -16.627 -7.776 -4.484 33 HA LYS 6 HA LYS 6 -14.169 -9.144 -3.845 34 HB2 LYS 6 2HB LYS 6 -14.770 -7.818 -5.939 35 HB3 LYS 6 3HB LYS 6 -14.568 -6.348 -4.986 36 HG2 LYS 6 2HG LYS 6 -12.150 -7.024 -4.598 37 HG3 LYS 6 3HG LYS 6 -12.438 -8.451 -5.588 38 HD2 LYS 6 2HD LYS 6 -11.339 -6.772 -6.935 39 HD3 LYS 6 3HD LYS 6 -12.982 -6.993 -7.521 40 HE2 LYS 6 2HE LYS 6 -12.482 -4.646 -7.560 41 HE3 LYS 6 3HE LYS 6 -13.691 -4.924 -6.309 42 HZ1 LYS 6 3HZ LYS 6 -11.896 -3.434 -5.560 43 HZ2 LYS 6 1HZ LYS 6 -10.772 -4.574 -5.810 44 HZ3 LYS 6 2HZ LYS 6 -11.902 -4.782 -4.640 45 H SER 7 H SER 7 -12.334 -8.331 -2.675 46 HA SER 7 HA SER 7 -12.688 -6.876 -0.223 47 HB2 SER 7 2HB SER 7 -10.181 -7.168 -1.931 48 HB3 SER 7 3HB SER 7 -10.252 -6.726 -0.218 49 HG SER 7 HG SER 7 -9.768 -8.983 -0.667 50 H ALA 8 H ALA 8 -12.322 -4.674 0.274 51 HA ALA 8 HA ALA 8 -12.963 -2.876 -1.890 52 HB1 ALA 8 3HB ALA 8 -12.417 -2.256 1.016 53 HB2 ALA 8 1HB ALA 8 -13.322 -1.256 -0.135 54 HB3 ALA 8 2HB ALA 8 -13.980 -2.822 0.377 55 H THR 9 H THR 9 -10.246 -3.967 -2.177 56 HA THR 9 HA THR 9 -8.488 -1.584 -1.873 57 HB THR 9 HB THR 9 -6.700 -3.115 -2.735 58 HG1 THR 9 HG1 THR 9 -8.306 -4.624 -3.674 59 HG21 THR 9 3HG2 THR 9 -6.474 -4.426 -0.693 60 HG22 THR 9 1HG2 THR 9 -8.158 -4.066 -0.256 61 HG23 THR 9 2HG2 THR 9 -6.946 -2.759 -0.337 62 H ILE 10 H ILE 10 -7.204 -0.847 -3.579 63 HA ILE 10 HA ILE 10 -8.112 -1.472 -6.360 64 HB ILE 10 HB ILE 10 -7.358 0.749 -7.041 65 HG12 ILE 10 2HG1 ILE 10 -6.977 1.338 -4.068 66 HG13 ILE 10 3HG1 ILE 10 -5.694 1.163 -5.271 67 HG21 ILE 10 1HG2 ILE 10 -9.298 1.956 -6.260 68 HG22 ILE 10 2HG2 ILE 10 -9.739 0.254 -6.417 69 HG23 ILE 10 3HG2 ILE 10 -9.422 0.939 -4.809 70 HD11 ILE 10 3HD1 ILE 10 -6.060 3.503 -4.859 71 HD12 ILE 10 1HD1 ILE 10 -6.603 3.128 -6.506 72 HD13 ILE 10 2HD1 ILE 10 -7.790 3.363 -5.198 73 H LYS 11 H LYS 11 -6.387 -1.269 -7.986 74 HA LYS 11 HA LYS 11 -3.629 -1.719 -6.951 75 HB2 LYS 11 2HB LYS 11 -4.789 -3.097 -9.400 76 HB3 LYS 11 3HB LYS 11 -3.117 -3.145 -8.836 77 HG2 LYS 11 2HG LYS 11 -4.340 -4.019 -6.575 78 HG3 LYS 11 3HG LYS 11 -5.538 -4.551 -7.750 79 HD2 LYS 11 2HD LYS 11 -2.557 -5.219 -7.751 80 HD3 LYS 11 3HD LYS 11 -3.856 -6.311 -7.258 81 HE2 LYS 11 2HE LYS 11 -4.745 -6.414 -9.513 82 HE3 LYS 11 3HE LYS 11 -3.672 -5.117 -10.056 83 HZ1 LYS 11 3HZ LYS 11 -2.714 -7.761 -9.118 84 HZ2 LYS 11 1HZ LYS 11 -1.773 -6.532 -9.672 85 HZ3 LYS 11 2HZ LYS 11 -2.808 -7.294 -10.684 86 H VAL 12 H VAL 12 -2.024 -0.708 -7.962 87 HA VAL 12 HA VAL 12 -2.659 1.143 -10.217 88 HB VAL 12 HB VAL 12 -0.848 2.646 -9.224 89 HG11 VAL 12 1HG1 VAL 12 -3.251 3.146 -9.374 90 HG12 VAL 12 2HG1 VAL 12 -3.507 2.423 -7.770 91 HG13 VAL 12 3HG1 VAL 12 -2.492 3.874 -7.954 92 HG21 VAL 12 3HG2 VAL 12 -0.055 1.089 -7.419 93 HG22 VAL 12 1HG2 VAL 12 -0.565 2.680 -6.821 94 HG23 VAL 12 2HG2 VAL 12 -1.624 1.278 -6.611 95 H THR 13 H THR 13 -1.005 1.738 -11.559 96 HA THR 13 HA THR 13 1.270 -0.180 -11.879 97 HB THR 13 HB THR 13 1.099 0.189 -14.292 98 HG1 THR 13 HG1 THR 13 -1.291 1.595 -13.750 99 HG21 THR 13 3HG2 THR 13 -0.943 -1.004 -14.813 100 HG22 THR 13 1HG2 THR 13 -1.632 -0.629 -13.220 101 HG23 THR 13 2HG2 THR 13 -0.212 -1.690 -13.351 102 H ASP 14 H ASP 14 3.035 0.887 -13.312 103 HA ASP 14 HA ASP 14 4.058 3.284 -12.216 104 HB2 ASP 14 2HB ASP 14 5.419 1.703 -13.454 105 HB3 ASP 14 3HB ASP 14 4.478 1.975 -14.922 106 H ALA 15 H ALA 15 1.648 2.904 -14.789 107 HA ALA 15 HA ALA 15 1.745 5.742 -15.562 108 HB1 ALA 15 3HB ALA 15 -0.100 3.467 -16.397 109 HB2 ALA 15 1HB ALA 15 -0.033 5.085 -17.127 110 HB3 ALA 15 2HB ALA 15 1.366 4.003 -17.251 111 H SER 16 H SER 16 -0.577 3.584 -13.830 112 HA SER 16 HA SER 16 -2.467 5.766 -13.494 113 HB2 SER 16 2HB SER 16 -3.924 4.101 -12.477 114 HB3 SER 16 3HB SER 16 -3.305 3.608 -14.059 115 HG SER 16 HG SER 16 -3.242 1.933 -12.509 116 H PHE 17 H PHE 17 0.146 4.750 -11.508 117 HA PHE 17 HA PHE 17 -0.709 5.072 -8.897 118 HB2 PHE 17 2HB PHE 17 1.655 4.651 -9.991 119 HB3 PHE 17 3HB PHE 17 1.850 6.381 -9.881 120 HD1 PHE 17 HD1 PHE 17 1.863 7.463 -7.582 121 HD2 PHE 17 HD2 PHE 17 1.765 3.190 -8.135 122 HE1 PHE 17 HE1 PHE 17 2.490 7.132 -5.197 123 HE2 PHE 17 HE2 PHE 17 2.433 2.866 -5.773 124 HZ PHE 17 HZ PHE 17 2.766 4.849 -4.291 125 H ALA 18 H ALA 18 0.181 7.759 -11.114 126 HA ALA 18 HA ALA 18 -0.334 9.768 -9.170 127 HB1 ALA 18 3HB ALA 18 -0.128 9.981 -12.192 128 HB2 ALA 18 1HB ALA 18 -0.052 11.335 -11.038 129 HB3 ALA 18 2HB ALA 18 1.210 10.091 -11.014 130 H THR 19 H THR 19 -2.455 8.190 -11.487 131 HA THR 19 HA THR 19 -4.604 10.182 -11.192 132 HB THR 19 HB THR 19 -4.739 7.521 -12.655 133 HG1 THR 19 HG1 THR 19 -3.955 8.629 -14.465 134 HG21 THR 19 3HG2 THR 19 -6.190 8.821 -14.232 135 HG22 THR 19 1HG2 THR 19 -6.066 10.228 -13.151 136 HG23 THR 19 2HG2 THR 19 -6.870 8.739 -12.608 137 H ASP 20 H ASP 20 -3.787 7.113 -9.733 138 HA ASP 20 HA ASP 20 -6.526 6.943 -8.533 139 HB2 ASP 20 2HB ASP 20 -4.621 4.860 -9.538 140 HB3 ASP 20 3HB ASP 20 -5.855 4.453 -8.355 141 H VAL 21 H VAL 21 -3.121 7.110 -7.515 142 HA VAL 21 HA VAL 21 -4.213 7.028 -4.725 143 HB VAL 21 HB VAL 21 -2.101 6.258 -3.844 144 HG11 VAL 21 1HG1 VAL 21 -3.320 4.360 -5.887 145 HG12 VAL 21 2HG1 VAL 21 -2.387 3.902 -4.453 146 HG13 VAL 21 3HG1 VAL 21 -3.968 4.688 -4.283 147 HG21 VAL 21 3HG2 VAL 21 -0.559 6.861 -5.696 148 HG22 VAL 21 1HG2 VAL 21 -0.419 5.178 -5.178 149 HG23 VAL 21 2HG2 VAL 21 -1.280 5.556 -6.672 150 H LEU 22 H LEU 22 -1.836 8.728 -6.827 151 HA LEU 22 HA LEU 22 -1.484 10.762 -4.753 152 HB2 LEU 22 2HB LEU 22 -0.816 11.130 -7.660 153 HB3 LEU 22 3HB LEU 22 -0.230 12.045 -6.292 154 HG LEU 22 HG LEU 22 0.448 9.151 -6.902 155 HD11 LEU 22 1HD1 LEU 22 2.171 11.660 -6.909 156 HD12 LEU 22 2HD1 LEU 22 1.565 10.826 -8.354 157 HD13 LEU 22 3HD1 LEU 22 2.711 10.008 -7.281 158 HD21 LEU 22 3HD2 LEU 22 0.429 9.436 -4.466 159 HD22 LEU 22 1HD2 LEU 22 1.392 10.926 -4.616 160 HD23 LEU 22 2HD2 LEU 22 2.098 9.363 -5.040 161 H SER 23 H SER 23 -4.039 10.117 -6.873 162 HA SER 23 HA SER 23 -5.087 12.805 -7.187 163 HB2 SER 23 2HB SER 23 -7.072 11.618 -8.026 164 HB3 SER 23 3HB SER 23 -5.569 11.061 -8.783 165 HG SER 23 HG SER 23 -6.789 9.293 -8.191 166 H SER 24 H SER 24 -4.896 10.795 -4.449 167 HA SER 24 HA SER 24 -7.502 10.843 -3.398 168 HB2 SER 24 2HB SER 24 -6.391 10.025 -1.366 169 HB3 SER 24 3HB SER 24 -5.833 9.190 -2.812 170 HG SER 24 HG SER 24 -3.903 9.981 -2.556 171 H ASN 25 H ASN 25 -8.308 11.770 -1.480 172 HA ASN 25 HA ASN 25 -7.039 14.252 -0.439 173 HB2 ASN 25 2HB ASN 25 -8.820 14.812 -2.059 174 HB3 ASN 25 3HB ASN 25 -9.984 13.893 -1.102 175 HD21 ASN 25 1HD2 ASN 25 -7.472 16.479 -0.439 176 HD22 ASN 25 2HD2 ASN 25 -8.620 17.467 0.459 177 H LYS 26 H LYS 26 -7.286 11.347 0.408 178 HA LYS 26 HA LYS 26 -7.736 11.781 3.278 179 HB2 LYS 26 2HB LYS 26 -9.206 9.906 3.576 180 HB3 LYS 26 3HB LYS 26 -9.929 10.942 2.357 181 HG2 LYS 26 2HG LYS 26 -9.108 9.424 0.566 182 HG3 LYS 26 3HG LYS 26 -8.335 8.400 1.784 183 HD2 LYS 26 2HD LYS 26 -10.580 7.965 2.815 184 HD3 LYS 26 3HD LYS 26 -11.325 8.888 1.487 185 HE2 LYS 26 2HE LYS 26 -10.328 7.367 -0.169 186 HE3 LYS 26 3HE LYS 26 -9.493 6.487 1.105 187 HZ1 LYS 26 3HZ LYS 26 -12.434 6.565 0.704 188 HZ2 LYS 26 1HZ LYS 26 -11.719 5.816 1.974 189 HZ3 LYS 26 2HZ LYS 26 -11.419 5.296 0.469 190 HA PRO 27 HA PRO 27 -4.206 9.138 3.551 191 HB2 PRO 27 2HB PRO 27 -5.577 7.159 5.339 192 HB3 PRO 27 3HB PRO 27 -4.010 7.995 5.559 193 HG2 PRO 27 2HG PRO 27 -6.198 8.832 6.908 194 HG3 PRO 27 3HG PRO 27 -5.065 10.013 6.173 195 HD2 PRO 27 2HD PRO 27 -7.701 9.018 5.069 196 HD3 PRO 27 3HD PRO 27 -7.104 10.702 5.193 197 H VAL 28 H VAL 28 -3.247 7.527 2.386 198 HA VAL 28 HA VAL 28 -4.835 5.205 1.444 199 HB VAL 28 HB VAL 28 -3.024 6.769 -0.417 200 HG11 VAL 28 1HG1 VAL 28 -4.857 4.362 -0.843 201 HG12 VAL 28 2HG1 VAL 28 -3.991 5.243 -2.117 202 HG13 VAL 28 3HG1 VAL 28 -3.081 4.348 -0.903 203 HG21 VAL 28 3HG2 VAL 28 -5.120 7.250 -1.678 204 HG22 VAL 28 1HG2 VAL 28 -6.065 6.606 -0.316 205 HG23 VAL 28 2HG2 VAL 28 -5.063 8.058 -0.110 206 H LEU 29 H LEU 29 -3.851 3.437 2.241 207 HA LEU 29 HA LEU 29 -0.915 3.386 2.669 208 HB2 LEU 29 2HB LEU 29 -2.846 2.350 4.194 209 HB3 LEU 29 3HB LEU 29 -2.839 1.077 3.032 210 HG LEU 29 HG LEU 29 -1.571 0.446 4.951 211 HD11 LEU 29 1HD1 LEU 29 0.448 0.920 2.727 212 HD12 LEU 29 2HD1 LEU 29 -0.794 -0.359 2.698 213 HD13 LEU 29 3HD1 LEU 29 0.453 -0.353 3.952 214 HD21 LEU 29 3HD2 LEU 29 0.343 2.742 4.372 215 HD22 LEU 29 1HD2 LEU 29 0.523 1.506 5.628 216 HD23 LEU 29 2HD2 LEU 29 -0.813 2.660 5.726 217 H VAL 30 H VAL 30 0.370 2.893 0.917 218 HA VAL 30 HA VAL 30 -0.744 1.084 -1.188 219 HB VAL 30 HB VAL 30 1.641 2.908 -1.513 220 HG11 VAL 30 1HG1 VAL 30 1.590 0.948 -3.033 221 HG12 VAL 30 2HG1 VAL 30 -0.090 1.319 -3.476 222 HG13 VAL 30 3HG1 VAL 30 1.218 2.429 -3.919 223 HG21 VAL 30 3HG2 VAL 30 -1.229 3.330 -2.448 224 HG22 VAL 30 1HG2 VAL 30 -0.401 4.282 -1.214 225 HG23 VAL 30 2HG2 VAL 30 0.167 4.330 -2.887 226 H ASP 31 H ASP 31 -0.070 -0.909 -1.232 227 HA ASP 31 HA ASP 31 2.421 -1.706 0.190 228 HB2 ASP 31 2HB ASP 31 0.162 -2.702 0.758 229 HB3 ASP 31 3HB ASP 31 0.202 -3.506 -0.811 230 H PHE 32 H PHE 32 4.168 -1.990 -0.966 231 HA PHE 32 HA PHE 32 4.103 -2.470 -3.903 232 HB2 PHE 32 2HB PHE 32 6.210 -1.471 -1.976 233 HB3 PHE 32 3HB PHE 32 6.590 -1.991 -3.603 234 HD1 PHE 32 HD1 PHE 32 4.223 0.391 -1.833 235 HD2 PHE 32 HD2 PHE 32 6.722 -0.380 -5.266 236 HE1 PHE 32 HE1 PHE 32 3.726 2.652 -2.722 237 HE2 PHE 32 HE2 PHE 32 6.253 1.897 -6.113 238 HZ PHE 32 HZ PHE 32 4.748 3.410 -4.844 239 H TRP 33 H TRP 33 4.223 -4.524 -4.514 240 HA TRP 33 HA TRP 33 5.911 -6.469 -3.045 241 HB2 TRP 33 2HB TRP 33 4.129 -7.973 -2.649 242 HB3 TRP 33 3HB TRP 33 3.727 -6.445 -1.913 243 HD1 TRP 33 HD1 TRP 33 2.726 -6.029 -5.425 244 HE1 TRP 33 HE1 TRP 33 0.394 -6.803 -5.933 245 HE3 TRP 33 HE3 TRP 33 1.721 -8.281 -0.952 246 HZ2 TRP 33 HZ2 TRP 33 -1.757 -8.213 -4.517 247 HZ3 TRP 33 HZ3 TRP 33 -0.505 -9.260 -0.525 248 HH2 TRP 33 HH2 TRP 33 -2.265 -9.223 -2.279 249 H ALA 34 H ALA 34 5.860 -8.662 -4.064 250 HA ALA 34 HA ALA 34 5.528 -8.554 -7.030 251 HB1 ALA 34 3HB ALA 34 7.857 -8.977 -6.263 252 HB2 ALA 34 1HB ALA 34 7.289 -10.422 -5.395 253 HB3 ALA 34 2HB ALA 34 7.158 -10.329 -7.162 254 H THR 35 H THR 35 4.894 -10.803 -7.927 255 HA THR 35 HA THR 35 2.373 -11.556 -6.687 256 HB THR 35 HB THR 35 2.214 -13.102 -8.661 257 HG1 THR 35 HG1 THR 35 3.816 -12.873 -10.237 258 HG21 THR 35 3HG2 THR 35 2.984 -10.235 -9.375 259 HG22 THR 35 1HG2 THR 35 1.392 -10.753 -8.776 260 HG23 THR 35 2HG2 THR 35 1.984 -11.347 -10.336 261 H TRP 36 H TRP 36 5.473 -12.646 -6.073 262 HA TRP 36 HA TRP 36 4.640 -15.433 -5.382 263 HB2 TRP 36 2HB TRP 36 7.026 -15.959 -6.101 264 HB3 TRP 36 3HB TRP 36 5.884 -15.505 -7.346 265 HD1 TRP 36 HD1 TRP 36 6.503 -13.629 -8.921 266 HE1 TRP 36 HE1 TRP 36 8.376 -11.888 -9.136 267 HE3 TRP 36 HE3 TRP 36 8.843 -14.418 -4.420 268 HZ2 TRP 36 HZ2 TRP 36 10.573 -10.930 -7.531 269 HZ3 TRP 36 HZ3 TRP 36 10.801 -13.037 -3.777 270 HH2 TRP 36 HH2 TRP 36 11.673 -11.292 -5.316 271 H CYS 37 H CYS 37 5.608 -12.666 -3.734 272 HA CYS 37 HA CYS 37 7.621 -13.942 -2.054 273 HB2 CYS 37 2HB CYS 37 7.395 -11.688 -0.785 274 HB3 CYS 37 3HB CYS 37 8.210 -11.816 -2.329 275 H GLY 38 H GLY 38 7.522 -14.752 -0.079 276 HA2 GLY 38 2HA GLY 38 5.151 -15.838 0.981 277 HA3 GLY 38 3HA GLY 38 6.688 -15.703 1.833 278 HA PRO 39 HA PRO 39 5.003 -12.712 4.577 279 HB2 PRO 39 2HB PRO 39 6.627 -10.499 4.684 280 HB3 PRO 39 3HB PRO 39 7.098 -12.108 5.312 281 HG2 PRO 39 2HG PRO 39 7.743 -10.898 2.608 282 HG3 PRO 39 3HG PRO 39 8.874 -11.662 3.773 283 HD2 PRO 39 2HD PRO 39 7.873 -13.055 1.690 284 HD3 PRO 39 3HD PRO 39 8.038 -13.838 3.289 285 H CYS 40 H CYS 40 5.479 -11.458 1.301 286 HA CYS 40 HA CYS 40 3.722 -9.171 1.700 287 HB2 CYS 40 2HB CYS 40 4.133 -8.607 -0.466 288 HB3 CYS 40 3HB CYS 40 5.623 -9.390 0.017 289 H LYS 41 H LYS 41 3.297 -12.491 0.305 290 HA LYS 41 HA LYS 41 0.466 -12.149 -0.117 291 HB2 LYS 41 2HB LYS 41 1.959 -13.865 -1.187 292 HB3 LYS 41 3HB LYS 41 1.978 -14.755 0.347 293 HG2 LYS 41 2HG LYS 41 -0.455 -15.039 0.245 294 HG3 LYS 41 3HG LYS 41 -0.555 -13.961 -1.161 295 HD2 LYS 41 2HD LYS 41 0.849 -15.581 -2.457 296 HD3 LYS 41 3HD LYS 41 0.784 -16.706 -1.094 297 HE2 LYS 41 2HE LYS 41 -1.660 -15.552 -2.521 298 HE3 LYS 41 3HE LYS 41 -0.903 -17.084 -2.976 299 HZ1 LYS 41 3HZ LYS 41 -2.760 -17.467 -1.484 300 HZ2 LYS 41 1HZ LYS 41 -2.119 -16.519 -0.323 301 HZ3 LYS 41 2HZ LYS 41 -1.385 -17.923 -0.737 302 H MET 42 H MET 42 2.341 -13.168 2.728 303 HA MET 42 HA MET 42 0.189 -13.941 4.384 304 HB2 MET 42 2HB MET 42 2.646 -14.219 4.843 305 HB3 MET 42 3HB MET 42 2.727 -12.498 5.239 306 HG2 MET 42 2HG MET 42 2.593 -13.804 7.260 307 HG3 MET 42 3HG MET 42 1.132 -12.840 7.090 308 HE1 MET 42 3HE MET 42 -0.078 -14.218 8.960 309 HE2 MET 42 1HE MET 42 -0.157 -15.994 8.999 310 HE3 MET 42 2HE MET 42 1.408 -15.172 9.187 311 H VAL 43 H VAL 43 1.265 -10.601 3.601 312 HA VAL 43 HA VAL 43 -0.749 -9.491 5.443 313 HB VAL 43 HB VAL 43 0.014 -7.303 4.800 314 HG11 VAL 43 1HG1 VAL 43 2.133 -7.366 5.912 315 HG12 VAL 43 2HG1 VAL 43 1.051 -8.555 6.668 316 HG13 VAL 43 3HG1 VAL 43 2.332 -9.103 5.567 317 HG21 VAL 43 3HG2 VAL 43 0.799 -7.772 2.469 318 HG22 VAL 43 1HG2 VAL 43 1.970 -6.896 3.462 319 HG23 VAL 43 2HG2 VAL 43 2.188 -8.628 3.168 320 H ALA 44 H ALA 44 -1.014 -10.701 2.304 321 HA ALA 44 HA ALA 44 -2.670 -8.830 1.033 322 HB1 ALA 44 3HB ALA 44 -3.524 -10.677 -0.279 323 HB2 ALA 44 1HB ALA 44 -1.788 -10.920 -0.011 324 HB3 ALA 44 2HB ALA 44 -2.958 -11.861 0.907 325 HA PRO 45 HA PRO 45 -6.609 -10.481 3.241 326 HB2 PRO 45 2HB PRO 45 -6.397 -11.869 5.605 327 HB3 PRO 45 3HB PRO 45 -6.464 -12.651 3.997 328 HG2 PRO 45 2HG PRO 45 -3.992 -11.974 5.629 329 HG3 PRO 45 3HG PRO 45 -4.411 -13.535 4.849 330 HD2 PRO 45 2HD PRO 45 -2.765 -11.808 3.632 331 HD3 PRO 45 3HD PRO 45 -4.008 -12.670 2.687 332 H VAL 46 H VAL 46 -3.777 -9.597 5.254 333 HA VAL 46 HA VAL 46 -5.247 -8.088 7.223 334 HB VAL 46 HB VAL 46 -2.336 -7.980 6.334 335 HG11 VAL 46 1HG1 VAL 46 -1.972 -6.774 8.533 336 HG12 VAL 46 2HG1 VAL 46 -2.741 -5.820 7.268 337 HG13 VAL 46 3HG1 VAL 46 -3.738 -6.510 8.562 338 HG21 VAL 46 3HG2 VAL 46 -3.027 -10.083 7.449 339 HG22 VAL 46 1HG2 VAL 46 -1.930 -9.146 8.465 340 HG23 VAL 46 2HG2 VAL 46 -3.674 -9.147 8.815 341 H LEU 47 H LEU 47 -3.457 -6.990 4.292 342 HA LEU 47 HA LEU 47 -4.247 -4.241 4.623 343 HB2 LEU 47 2HB LEU 47 -2.976 -3.833 2.702 344 HB3 LEU 47 3HB LEU 47 -2.198 -5.165 3.503 345 HG LEU 47 HG LEU 47 -3.584 -6.648 1.812 346 HD11 LEU 47 1HD1 LEU 47 -3.975 -5.623 -0.329 347 HD12 LEU 47 2HD1 LEU 47 -3.289 -4.071 0.206 348 HD13 LEU 47 3HD1 LEU 47 -4.834 -4.631 0.854 349 HD21 LEU 47 3HD2 LEU 47 -1.191 -4.989 0.942 350 HD22 LEU 47 1HD2 LEU 47 -1.729 -6.508 0.191 351 HD23 LEU 47 2HD2 LEU 47 -1.133 -6.505 1.857 352 H GLU 48 H GLU 48 -5.700 -6.946 2.758 353 HA GLU 48 HA GLU 48 -7.785 -5.284 1.622 354 HB2 GLU 48 2HB GLU 48 -7.402 -8.274 1.947 355 HB3 GLU 48 3HB GLU 48 -8.884 -7.589 1.285 356 HG2 GLU 48 2HG GLU 48 -7.705 -6.441 -0.476 357 HG3 GLU 48 3HG GLU 48 -6.131 -6.846 0.211 358 H GLU 49 H GLU 49 -7.640 -7.123 4.708 359 HA GLU 49 HA GLU 49 -10.378 -6.524 5.411 360 HB2 GLU 49 2HB GLU 49 -7.951 -7.337 7.031 361 HB3 GLU 49 3HB GLU 49 -9.470 -6.860 7.793 362 HG2 GLU 49 2HG GLU 49 -10.716 -8.578 6.642 363 HG3 GLU 49 3HG GLU 49 -9.318 -9.056 5.693 364 H ILE 50 H ILE 50 -7.291 -4.720 6.167 365 HA ILE 50 HA ILE 50 -8.603 -2.580 7.547 366 HB ILE 50 HB ILE 50 -6.198 -2.553 5.706 367 HG12 ILE 50 2HG1 ILE 50 -5.888 -3.959 7.737 368 HG13 ILE 50 3HG1 ILE 50 -4.769 -2.615 7.637 369 HG21 ILE 50 1HG2 ILE 50 -6.899 -0.256 5.818 370 HG22 ILE 50 2HG2 ILE 50 -7.145 -0.340 7.568 371 HG23 ILE 50 3HG2 ILE 50 -5.506 -0.420 6.880 372 HD11 ILE 50 3HD1 ILE 50 -5.575 -2.978 9.913 373 HD12 ILE 50 1HD1 ILE 50 -6.057 -1.381 9.339 374 HD13 ILE 50 2HD1 ILE 50 -7.253 -2.704 9.405 375 H ALA 51 H ALA 51 -8.037 -3.017 4.010 376 HA ALA 51 HA ALA 51 -9.156 -0.571 3.143 377 HB1 ALA 51 3HB ALA 51 -9.550 -3.190 1.649 378 HB2 ALA 51 1HB ALA 51 -9.217 -1.572 1.007 379 HB3 ALA 51 2HB ALA 51 -7.946 -2.496 1.832 380 H THR 52 H THR 52 -10.749 -3.707 3.792 381 HA THR 52 HA THR 52 -13.379 -2.782 2.951 382 HB THR 52 HB THR 52 -12.538 -5.340 4.350 383 HG1 THR 52 HG1 THR 52 -11.460 -5.303 2.506 384 HG21 THR 52 3HG2 THR 52 -14.986 -5.075 4.383 385 HG22 THR 52 1HG2 THR 52 -14.529 -6.295 3.187 386 HG23 THR 52 2HG2 THR 52 -14.985 -4.661 2.651 387 H GLU 53 H GLU 53 -11.720 -3.031 6.086 388 HA GLU 53 HA GLU 53 -14.236 -2.630 7.566 389 HB2 GLU 53 2HB GLU 53 -11.348 -2.865 8.503 390 HB3 GLU 53 3HB GLU 53 -12.750 -2.655 9.550 391 HG2 GLU 53 2HG GLU 53 -13.692 -4.753 8.226 392 HG3 GLU 53 3HG GLU 53 -12.017 -5.078 7.903 393 H ARG 54 H ARG 54 -11.725 -0.497 6.375 394 HA ARG 54 HA ARG 54 -13.006 1.788 7.844 395 HB2 ARG 54 2HB ARG 54 -10.033 1.414 7.373 396 HB3 ARG 54 3HB ARG 54 -10.810 2.759 8.209 397 HG2 ARG 54 2HG ARG 54 -10.865 -0.106 9.227 398 HG3 ARG 54 3HG ARG 54 -9.730 1.141 9.736 399 HD2 ARG 54 2HD ARG 54 -11.526 2.548 10.584 400 HD3 ARG 54 3HD ARG 54 -12.754 1.435 10.003 401 HE ARG 54 HE ARG 54 -10.911 1.040 12.302 402 HH11 ARG 54 1HH1 ARG 54 -13.584 -0.335 10.453 403 HH12 ARG 54 2HH1 ARG 54 -14.010 -1.415 11.756 404 HH21 ARG 54 1HH2 ARG 54 -11.507 -0.407 13.869 405 HH22 ARG 54 2HH2 ARG 54 -12.853 -1.473 13.605 406 H ALA 55 H ALA 55 -13.411 0.849 5.058 407 HA ALA 55 HA ALA 55 -12.240 2.396 3.102 408 HB1 ALA 55 3HB ALA 55 -15.174 1.579 3.309 409 HB2 ALA 55 1HB ALA 55 -14.303 1.988 1.817 410 HB3 ALA 55 2HB ALA 55 -13.851 0.544 2.734 411 H THR 56 H THR 56 -14.713 3.538 5.383 412 HA THR 56 HA THR 56 -15.318 6.012 3.971 413 HB THR 56 HB THR 56 -16.507 6.550 6.149 414 HG1 THR 56 HG1 THR 56 -16.708 4.839 7.598 415 HG21 THR 56 3HG2 THR 56 -18.296 4.914 5.804 416 HG22 THR 56 1HG2 THR 56 -17.205 3.867 4.869 417 HG23 THR 56 2HG2 THR 56 -17.668 5.464 4.242 418 H ASP 57 H ASP 57 -12.779 5.084 6.135 419 HA ASP 57 HA ASP 57 -12.112 7.936 6.777 420 HB2 ASP 57 2HB ASP 57 -11.248 5.293 7.988 421 HB3 ASP 57 3HB ASP 57 -10.495 6.827 8.384 422 H LEU 58 H LEU 58 -10.788 4.972 5.277 423 HA LEU 58 HA LEU 58 -8.784 6.579 3.828 424 HB2 LEU 58 2HB LEU 58 -6.919 5.219 4.506 425 HB3 LEU 58 3HB LEU 58 -7.597 6.101 5.834 426 HG LEU 58 HG LEU 58 -6.675 3.815 6.243 427 HD11 LEU 58 1HD1 LEU 58 -8.251 3.243 7.962 428 HD12 LEU 58 2HD1 LEU 58 -9.505 4.216 7.164 429 HD13 LEU 58 3HD1 LEU 58 -8.077 5.003 7.866 430 HD21 LEU 58 3HD2 LEU 58 -7.996 1.840 5.955 431 HD22 LEU 58 1HD2 LEU 58 -7.655 2.562 4.378 432 HD23 LEU 58 2HD2 LEU 58 -9.268 2.741 5.125 433 H THR 59 H THR 59 -7.423 5.110 2.382 434 HA THR 59 HA THR 59 -8.969 2.782 1.303 435 HB THR 59 HB THR 59 -7.717 5.049 -0.252 436 HG1 THR 59 HG1 THR 59 -9.753 4.723 -1.345 437 HG21 THR 59 3HG2 THR 59 -6.844 3.029 -1.386 438 HG22 THR 59 1HG2 THR 59 -8.127 3.766 -2.336 439 HG23 THR 59 2HG2 THR 59 -8.476 2.311 -1.379 440 H VAL 60 H VAL 60 -7.659 1.072 0.447 441 HA VAL 60 HA VAL 60 -4.737 1.290 0.947 442 HB VAL 60 HB VAL 60 -6.349 -1.173 1.541 443 HG11 VAL 60 1HG1 VAL 60 -3.371 -0.693 1.799 444 HG12 VAL 60 2HG1 VAL 60 -4.258 -2.086 2.443 445 HG13 VAL 60 3HG1 VAL 60 -4.184 -1.825 0.700 446 HG21 VAL 60 3HG2 VAL 60 -6.728 0.363 3.337 447 HG22 VAL 60 1HG2 VAL 60 -5.578 -0.854 3.890 448 HG23 VAL 60 2HG2 VAL 60 -5.008 0.767 3.436 449 H ALA 61 H ALA 61 -3.472 0.536 -0.634 450 HA ALA 61 HA ALA 61 -4.717 -0.473 -3.143 451 HB1 ALA 61 3HB ALA 61 -3.450 1.281 -4.350 452 HB2 ALA 61 1HB ALA 61 -4.575 2.001 -3.175 453 HB3 ALA 61 2HB ALA 61 -2.848 1.898 -2.799 454 H LYS 62 H LYS 62 -3.196 -1.358 -4.684 455 HA LYS 62 HA LYS 62 -0.612 -2.344 -3.485 456 HB2 LYS 62 2HB LYS 62 -2.747 -3.786 -5.051 457 HB3 LYS 62 3HB LYS 62 -1.098 -4.410 -4.949 458 HG2 LYS 62 2HG LYS 62 -1.195 -4.767 -2.639 459 HG3 LYS 62 3HG LYS 62 -2.592 -3.716 -2.391 460 HD2 LYS 62 2HD LYS 62 -2.834 -6.160 -4.146 461 HD3 LYS 62 3HD LYS 62 -2.892 -6.319 -2.378 462 HE2 LYS 62 2HE LYS 62 -4.743 -4.671 -2.277 463 HE3 LYS 62 3HE LYS 62 -4.715 -4.509 -4.033 464 HZ1 LYS 62 3HZ LYS 62 -6.453 -6.031 -3.243 465 HZ2 LYS 62 1HZ LYS 62 -5.376 -7.057 -2.590 466 HZ3 LYS 62 2HZ LYS 62 -5.398 -6.835 -4.208 467 H LEU 63 H LEU 63 1.152 -2.375 -4.642 468 HA LEU 63 HA LEU 63 1.096 -1.598 -7.525 469 HB2 LEU 63 2HB LEU 63 1.882 0.301 -6.153 470 HB3 LEU 63 3HB LEU 63 3.164 -0.684 -5.490 471 HG LEU 63 HG LEU 63 3.858 0.935 -7.240 472 HD11 LEU 63 1HD1 LEU 63 4.448 -1.806 -8.354 473 HD12 LEU 63 2HD1 LEU 63 5.079 -1.282 -6.785 474 HD13 LEU 63 3HD1 LEU 63 5.486 -0.386 -8.255 475 HD21 LEU 63 3HD2 LEU 63 1.875 0.764 -8.709 476 HD22 LEU 63 1HD2 LEU 63 2.435 -0.836 -9.249 477 HD23 LEU 63 2HD2 LEU 63 3.395 0.608 -9.583 478 H ASP 64 H ASP 64 2.005 -3.010 -8.806 479 HA ASP 64 HA ASP 64 3.176 -5.474 -7.608 480 HB2 ASP 64 2HB ASP 64 2.075 -4.955 -10.385 481 HB3 ASP 64 3HB ASP 64 2.684 -6.497 -9.787 482 H VAL 65 H VAL 65 5.329 -4.971 -7.227 483 HA VAL 65 HA VAL 65 6.936 -3.366 -8.973 484 HB VAL 65 HB VAL 65 8.780 -3.806 -7.593 485 HG11 VAL 65 1HG1 VAL 65 7.037 -2.438 -6.560 486 HG12 VAL 65 2HG1 VAL 65 6.350 -3.878 -5.777 487 HG13 VAL 65 3HG1 VAL 65 7.980 -3.325 -5.355 488 HG21 VAL 65 3HG2 VAL 65 8.905 -6.185 -7.412 489 HG22 VAL 65 1HG2 VAL 65 8.848 -5.504 -5.788 490 HG23 VAL 65 2HG2 VAL 65 7.402 -6.260 -6.485 491 H ASP 66 H ASP 66 6.248 -6.755 -9.041 492 HA ASP 66 HA ASP 66 8.496 -7.727 -10.510 493 HB2 ASP 66 2HB ASP 66 6.737 -9.033 -9.234 494 HB3 ASP 66 3HB ASP 66 5.623 -8.737 -10.564 495 H THR 67 H THR 67 5.590 -6.007 -11.542 496 HA THR 67 HA THR 67 6.511 -6.043 -14.392 497 HB THR 67 HB THR 67 4.116 -5.602 -14.965 498 HG1 THR 67 HG1 THR 67 2.602 -6.169 -13.352 499 HG21 THR 67 3HG2 THR 67 3.366 -7.905 -14.712 500 HG22 THR 67 1HG2 THR 67 4.570 -8.204 -13.439 501 HG23 THR 67 2HG2 THR 67 5.091 -7.889 -15.109 502 H ASN 68 H ASN 68 6.023 -3.997 -11.685 503 HA ASN 68 HA ASN 68 6.321 -1.577 -13.420 504 HB2 ASN 68 2HB ASN 68 4.814 -1.726 -10.782 505 HB3 ASN 68 3HB ASN 68 4.974 -0.340 -11.857 506 HD21 ASN 68 1HD2 ASN 68 3.488 -3.534 -11.553 507 HD22 ASN 68 2HD2 ASN 68 2.237 -3.214 -12.746 508 HA PRO 69 HA PRO 69 9.813 -1.968 -10.272 509 HB2 PRO 69 2HB PRO 69 11.990 -2.212 -11.882 510 HB3 PRO 69 3HB PRO 69 10.940 -3.597 -11.467 511 HG2 PRO 69 2HG PRO 69 10.794 -1.855 -13.961 512 HG3 PRO 69 3HG PRO 69 10.892 -3.646 -13.872 513 HD2 PRO 69 2HD PRO 69 8.503 -2.390 -14.119 514 HD3 PRO 69 3HD PRO 69 8.687 -3.826 -13.063 515 H GLU 70 H GLU 70 9.090 0.154 -12.920 516 HA GLU 70 HA GLU 70 11.038 2.228 -12.289 517 HB2 GLU 70 2HB GLU 70 8.535 2.194 -13.997 518 HB3 GLU 70 3HB GLU 70 9.602 3.600 -13.812 519 HG2 GLU 70 2HG GLU 70 11.508 2.243 -14.627 520 HG3 GLU 70 3HG GLU 70 10.423 0.879 -14.882 521 H THR 71 H THR 71 7.685 1.556 -11.230 522 HA THR 71 HA THR 71 7.602 3.868 -9.417 523 HB THR 71 HB THR 71 5.784 2.206 -8.379 524 HG1 THR 71 HG1 THR 71 6.135 0.650 -10.060 525 HG21 THR 71 3HG2 THR 71 5.319 4.479 -8.987 526 HG22 THR 71 1HG2 THR 71 4.126 3.434 -9.775 527 HG23 THR 71 2HG2 THR 71 5.482 4.108 -10.716 528 H ALA 72 H ALA 72 8.601 0.449 -9.150 529 HA ALA 72 HA ALA 72 8.867 0.427 -6.323 530 HB1 ALA 72 3HB ALA 72 10.163 -1.573 -6.664 531 HB2 ALA 72 1HB ALA 72 8.903 -1.534 -7.915 532 HB3 ALA 72 2HB ALA 72 10.580 -1.104 -8.320 533 H ARG 73 H ARG 73 11.267 1.384 -8.826 534 HA ARG 73 HA ARG 73 13.231 2.238 -6.831 535 HB2 ARG 73 2HB ARG 73 14.574 2.959 -8.652 536 HB3 ARG 73 3HB ARG 73 13.839 1.416 -9.080 537 HG2 ARG 73 2HG ARG 73 12.059 2.780 -10.340 538 HG3 ARG 73 3HG ARG 73 13.072 4.200 -10.071 539 HD2 ARG 73 2HD ARG 73 13.556 3.386 -12.257 540 HD3 ARG 73 3HD ARG 73 14.950 2.985 -11.236 541 HE ARG 73 HE ARG 73 13.060 0.805 -11.268 542 HH11 ARG 73 1HH1 ARG 73 15.385 2.288 -13.437 543 HH12 ARG 73 2HH1 ARG 73 15.701 0.794 -14.274 544 HH21 ARG 73 1HH2 ARG 73 13.604 -1.089 -12.309 545 HH22 ARG 73 2HH2 ARG 73 14.690 -1.060 -13.667 546 H ASN 74 H ASN 74 10.478 3.845 -8.290 547 HA ASN 74 HA ASN 74 11.260 6.548 -7.809 548 HB2 ASN 74 2HB ASN 74 9.203 5.635 -9.145 549 HB3 ASN 74 3HB ASN 74 8.404 5.503 -7.594 550 HD21 ASN 74 1HD2 ASN 74 7.607 7.415 -6.587 551 HD22 ASN 74 2HD2 ASN 74 7.816 8.987 -7.334 552 H PHE 75 H PHE 75 9.563 4.195 -5.749 553 HA PHE 75 HA PHE 75 9.757 6.013 -3.405 554 HB2 PHE 75 2HB PHE 75 7.982 3.613 -3.908 555 HB3 PHE 75 3HB PHE 75 7.986 4.590 -2.441 556 HD1 PHE 75 HD2 PHE 75 7.487 7.098 -2.600 557 HD2 PHE 75 HD1 PHE 75 6.740 4.362 -5.844 558 HE1 PHE 75 HE2 PHE 75 5.979 8.763 -3.660 559 HE2 PHE 75 HE1 PHE 75 5.192 6.008 -6.877 560 HZ PHE 75 HZ PHE 75 4.815 8.212 -5.789 561 H GLN 76 H GLN 76 11.868 4.053 -4.574 562 HA GLN 76 HA GLN 76 13.520 2.723 -3.847 563 HB2 GLN 76 2HB GLN 76 13.946 4.963 -2.809 564 HB3 GLN 76 3HB GLN 76 13.243 4.369 -1.311 565 HG2 GLN 76 2HG GLN 76 15.643 4.300 -1.149 566 HG3 GLN 76 3HG GLN 76 15.050 2.654 -1.149 567 HE21 GLN 76 1HE2 GLN 76 17.489 2.377 -1.654 568 HE22 GLN 76 2HE2 GLN 76 17.914 2.396 -3.359 569 H VAL 77 H VAL 77 11.672 1.062 -3.939 570 HA VAL 77 HA VAL 77 11.166 -0.473 -1.500 571 HB VAL 77 HB VAL 77 11.149 -1.325 -4.425 572 HG11 VAL 77 1HG1 VAL 77 9.753 -3.228 -3.629 573 HG12 VAL 77 2HG1 VAL 77 11.386 -3.300 -2.971 574 HG13 VAL 77 3HG1 VAL 77 10.044 -2.736 -1.949 575 HG21 VAL 77 3HG2 VAL 77 8.820 -0.631 -2.584 576 HG22 VAL 77 1HG2 VAL 77 9.426 0.415 -3.877 577 HG23 VAL 77 2HG2 VAL 77 8.725 -1.156 -4.277 578 H VAL 78 H VAL 78 12.453 -1.689 -0.439 579 HA VAL 78 HA VAL 78 15.030 -2.658 -1.614 580 HB VAL 78 HB VAL 78 16.094 -2.222 0.564 581 HG11 VAL 78 1HG1 VAL 78 16.388 -0.692 -1.348 582 HG12 VAL 78 2HG1 VAL 78 15.011 0.275 -0.778 583 HG13 VAL 78 3HG1 VAL 78 16.483 0.154 0.207 584 HG21 VAL 78 3HG2 VAL 78 15.173 -0.606 2.142 585 HG22 VAL 78 1HG2 VAL 78 13.663 -0.512 1.227 586 HG23 VAL 78 2HG2 VAL 78 14.127 -2.022 2.052 587 H SER 79 H SER 79 12.412 -3.220 0.651 588 HA SER 79 HA SER 79 12.927 -6.135 0.480 589 HB2 SER 79 2HB SER 79 12.001 -4.641 2.970 590 HB3 SER 79 3HB SER 79 12.019 -6.404 2.771 591 HG SER 79 HG SER 79 13.891 -5.646 3.863 592 H ILE 80 H ILE 80 11.029 -7.349 0.272 593 HA ILE 80 HA ILE 80 8.514 -5.813 -0.106 594 HB ILE 80 HB ILE 80 7.748 -7.599 -1.628 595 HG12 ILE 80 2HG1 ILE 80 10.671 -8.476 -1.544 596 HG13 ILE 80 3HG1 ILE 80 9.245 -9.430 -1.135 597 HG21 ILE 80 1HG2 ILE 80 8.812 -6.555 -3.541 598 HG22 ILE 80 2HG2 ILE 80 8.560 -5.335 -2.296 599 HG23 ILE 80 3HG2 ILE 80 10.182 -6.016 -2.545 600 HD11 ILE 80 3HD1 ILE 80 8.523 -9.179 -3.575 601 HD12 ILE 80 1HD1 ILE 80 10.132 -8.497 -3.887 602 HD13 ILE 80 2HD1 ILE 80 9.979 -10.152 -3.280 603 HA PRO 81 HA PRO 81 6.272 -5.979 0.139 604 HB2 PRO 81 2HB PRO 81 4.566 -5.271 2.121 605 HB3 PRO 81 3HB PRO 81 4.411 -6.818 1.234 606 HG2 PRO 81 2HG PRO 81 5.730 -6.330 3.921 607 HG3 PRO 81 3HG PRO 81 4.544 -7.603 3.496 608 HD2 PRO 81 2HD PRO 81 7.252 -8.051 3.513 609 HD3 PRO 81 3HD PRO 81 6.175 -8.860 2.350 610 H THR 82 H THR 82 6.509 -3.819 -0.013 611 HA THR 82 HA THR 82 7.708 -2.235 2.241 612 HB THR 82 HB THR 82 7.939 -1.982 -0.724 613 HG1 THR 82 HG1 THR 82 9.640 -2.593 0.607 614 HG21 THR 82 3HG2 THR 82 8.563 0.454 -0.453 615 HG22 THR 82 1HG2 THR 82 7.725 0.429 1.118 616 HG23 THR 82 2HG2 THR 82 6.830 0.133 -0.377 617 H LEU 83 H LEU 83 6.411 -0.763 3.220 618 HA LEU 83 HA LEU 83 3.627 -0.404 2.163 619 HB2 LEU 83 2HB LEU 83 4.525 -0.579 5.069 620 HB3 LEU 83 3HB LEU 83 2.905 -0.233 4.482 621 HG LEU 83 HG LEU 83 3.090 -2.586 3.305 622 HD11 LEU 83 1HD1 LEU 83 4.377 -4.225 4.688 623 HD12 LEU 83 2HD1 LEU 83 5.122 -2.884 5.578 624 HD13 LEU 83 3HD1 LEU 83 5.456 -3.123 3.854 625 HD21 LEU 83 3HD2 LEU 83 2.798 -2.285 6.325 626 HD22 LEU 83 1HD2 LEU 83 2.200 -3.655 5.358 627 HD23 LEU 83 2HD2 LEU 83 1.516 -2.049 5.117 628 H ILE 84 H ILE 84 3.154 1.686 1.683 629 HA ILE 84 HA ILE 84 4.527 3.825 3.226 630 HB ILE 84 HB ILE 84 5.783 3.268 1.164 631 HG12 ILE 84 2HG1 ILE 84 6.063 5.403 2.314 632 HG13 ILE 84 3HG1 ILE 84 6.447 5.411 0.608 633 HG21 ILE 84 1HG2 ILE 84 3.447 4.468 -0.334 634 HG22 ILE 84 2HG2 ILE 84 5.035 4.060 -1.015 635 HG23 ILE 84 3HG2 ILE 84 3.986 2.782 -0.374 636 HD11 ILE 84 3HD1 ILE 84 3.940 6.637 1.821 637 HD12 ILE 84 1HD1 ILE 84 5.375 7.483 1.250 638 HD13 ILE 84 2HD1 ILE 84 4.356 6.618 0.092 639 H LEU 85 H LEU 85 3.269 5.358 3.905 640 HA LEU 85 HA LEU 85 0.385 5.264 3.153 641 HB2 LEU 85 2HB LEU 85 0.999 4.746 5.477 642 HB3 LEU 85 3HB LEU 85 1.827 6.291 5.607 643 HG LEU 85 HG LEU 85 -0.258 7.523 5.470 644 HD11 LEU 85 1HD1 LEU 85 -1.603 6.199 3.965 645 HD12 LEU 85 2HD1 LEU 85 -2.446 6.290 5.506 646 HD13 LEU 85 3HD1 LEU 85 -1.579 4.804 5.069 647 HD21 LEU 85 3HD2 LEU 85 -0.455 5.156 7.383 648 HD22 LEU 85 1HD2 LEU 85 -1.302 6.710 7.554 649 HD23 LEU 85 2HD2 LEU 85 0.465 6.648 7.664 650 H PHE 86 H PHE 86 -0.293 6.760 1.821 651 HA PHE 86 HA PHE 86 0.891 9.486 1.740 652 HB2 PHE 86 2HB PHE 86 -1.132 8.153 -0.075 653 HB3 PHE 86 3HB PHE 86 -0.550 9.800 -0.240 654 HD1 PHE 86 HD2 PHE 86 0.368 6.235 -0.536 655 HD2 PHE 86 HD1 PHE 86 1.651 10.292 -1.181 656 HE1 PHE 86 HE2 PHE 86 2.218 5.422 -1.984 657 HE2 PHE 86 HE1 PHE 86 3.536 9.477 -2.575 658 HZ PHE 86 HZ PHE 86 3.815 7.034 -2.980 659 H LYS 87 H LYS 87 -0.492 11.323 1.970 660 HA LYS 87 HA LYS 87 -3.374 10.920 2.370 661 HB2 LYS 87 2HB LYS 87 -2.570 11.063 4.696 662 HB3 LYS 87 3HB LYS 87 -1.697 12.559 4.323 663 HG2 LYS 87 2HG LYS 87 -3.823 13.729 3.876 664 HG3 LYS 87 3HG LYS 87 -4.719 12.220 4.058 665 HD2 LYS 87 2HD LYS 87 -4.961 13.593 6.060 666 HD3 LYS 87 3HD LYS 87 -4.132 12.088 6.409 667 HE2 LYS 87 2HE LYS 87 -3.059 13.813 7.662 668 HE3 LYS 87 3HE LYS 87 -1.940 13.276 6.413 669 HZ1 LYS 87 3HZ LYS 87 -3.624 15.731 6.258 670 HZ2 LYS 87 1HZ LYS 87 -2.554 15.261 5.113 671 HZ3 LYS 87 2HZ LYS 87 -2.028 15.711 6.588 672 H ASP 88 H ASP 88 -4.492 12.411 1.222 673 HA ASP 88 HA ASP 88 -4.843 13.925 -0.420 674 HB2 ASP 88 2HB ASP 88 -4.642 15.353 1.623 675 HB3 ASP 88 3HB ASP 88 -2.993 15.743 1.140 676 H GLY 89 H GLY 89 -2.990 12.023 -1.125 677 HA2 GLY 89 2HA GLY 89 -1.549 11.413 -2.726 678 HA3 GLY 89 3HA GLY 89 -1.721 12.997 -3.481 679 H GLN 90 H GLN 90 -0.529 12.982 -0.202 680 HA GLN 90 HA GLN 90 2.257 13.341 -1.169 681 HB2 GLN 90 2HB GLN 90 0.685 14.854 0.937 682 HB3 GLN 90 3HB GLN 90 2.433 15.002 0.754 683 HG2 GLN 90 2HG GLN 90 2.289 16.104 -1.306 684 HG3 GLN 90 3HG GLN 90 0.693 15.467 -1.682 685 HE21 GLN 90 1HE2 GLN 90 -1.206 16.442 -0.794 686 HE22 GLN 90 2HE2 GLN 90 -1.117 18.023 -0.036 687 HA PRO 91 HA PRO 91 3.093 9.994 1.562 688 HB2 PRO 91 2HB PRO 91 5.807 10.063 1.825 689 HB3 PRO 91 3HB PRO 91 4.976 9.661 0.290 690 HG2 PRO 91 2HG PRO 91 6.094 12.354 1.138 691 HG3 PRO 91 3HG PRO 91 6.357 11.483 -0.407 692 HD2 PRO 91 2HD PRO 91 4.466 13.426 -0.167 693 HD3 PRO 91 3HD PRO 91 4.173 11.967 -1.162 694 H VAL 92 H VAL 92 3.061 9.544 3.674 695 HA VAL 92 HA VAL 92 3.803 11.646 5.676 696 HB VAL 92 HB VAL 92 1.778 9.443 6.190 697 HG11 VAL 92 1HG1 VAL 92 0.965 11.082 7.865 698 HG12 VAL 92 2HG1 VAL 92 2.648 10.633 8.153 699 HG13 VAL 92 3HG1 VAL 92 2.261 12.199 7.404 700 HG21 VAL 92 3HG2 VAL 92 -0.012 11.097 5.717 701 HG22 VAL 92 1HG2 VAL 92 1.200 12.220 5.055 702 HG23 VAL 92 2HG2 VAL 92 0.873 10.666 4.258 703 H LYS 93 H LYS 93 3.860 8.127 5.047 704 HA LYS 93 HA LYS 93 6.042 7.733 7.029 705 HB2 LYS 93 2HB LYS 93 4.043 7.614 8.346 706 HB3 LYS 93 3HB LYS 93 3.248 6.544 7.204 707 HG2 LYS 93 2HG LYS 93 4.797 4.709 7.743 708 HG3 LYS 93 3HG LYS 93 5.673 5.760 8.872 709 HD2 LYS 93 2HD LYS 93 2.737 4.947 9.078 710 HD3 LYS 93 3HD LYS 93 4.081 4.221 9.978 711 HE2 LYS 93 2HE LYS 93 4.594 6.437 10.998 712 HE3 LYS 93 3HE LYS 93 3.218 7.151 10.140 713 HZ1 LYS 93 3HZ LYS 93 1.760 5.627 11.316 714 HZ2 LYS 93 1HZ LYS 93 2.639 6.538 12.380 715 HZ3 LYS 93 2HZ LYS 93 3.056 4.953 12.106 716 H ARG 94 H ARG 94 7.236 5.924 6.776 717 HA ARG 94 HA ARG 94 6.666 4.030 4.535 718 HB2 ARG 94 2HB ARG 94 8.401 5.578 3.799 719 HB3 ARG 94 3HB ARG 94 9.286 5.377 5.307 720 HG2 ARG 94 2HG ARG 94 10.417 4.175 3.560 721 HG3 ARG 94 3HG ARG 94 9.793 3.022 4.731 722 HD2 ARG 94 2HD ARG 94 7.815 2.635 3.189 723 HD3 ARG 94 3HD ARG 94 8.588 3.675 2.001 724 HE ARG 94 HE ARG 94 9.251 0.919 2.703 725 HH11 ARG 94 1HH1 ARG 94 10.713 3.808 1.306 726 HH12 ARG 94 2HH1 ARG 94 11.749 2.847 0.281 727 HH21 ARG 94 1HH2 ARG 94 10.527 -0.156 1.163 728 HH22 ARG 94 2HH2 ARG 94 11.768 0.796 0.345 729 H ILE 95 H ILE 95 6.846 1.957 4.981 730 HA ILE 95 HA ILE 95 8.363 0.943 7.288 731 HB ILE 95 HB ILE 95 5.967 -0.637 7.112 732 HG12 ILE 95 2HG1 ILE 95 5.268 2.246 7.794 733 HG13 ILE 95 3HG1 ILE 95 4.799 1.437 6.298 734 HG21 ILE 95 1HG2 ILE 95 7.572 -0.464 8.999 735 HG22 ILE 95 2HG2 ILE 95 7.025 1.197 9.304 736 HG23 ILE 95 3HG2 ILE 95 5.920 -0.166 9.540 737 HD11 ILE 95 3HD1 ILE 95 2.930 1.380 7.784 738 HD12 ILE 95 1HD1 ILE 95 3.552 -0.273 7.628 739 HD13 ILE 95 2HD1 ILE 95 3.890 0.681 9.093 740 H VAL 96 H VAL 96 8.799 -1.391 7.161 741 HA VAL 96 HA VAL 96 8.462 -2.662 4.505 742 HB VAL 96 HB VAL 96 10.799 -3.502 4.695 743 HG11 VAL 96 1HG1 VAL 96 10.607 -0.488 4.356 744 HG12 VAL 96 2HG1 VAL 96 11.843 -1.566 3.672 745 HG13 VAL 96 3HG1 VAL 96 10.160 -1.699 3.131 746 HG21 VAL 96 3HG2 VAL 96 12.479 -2.292 5.965 747 HG22 VAL 96 1HG2 VAL 96 11.246 -1.233 6.672 748 HG23 VAL 96 2HG2 VAL 96 11.273 -2.966 7.070 749 H GLY 97 H GLY 97 8.510 -4.925 4.511 750 HA2 GLY 97 2HA GLY 97 8.427 -7.078 5.360 751 HA3 GLY 97 3HA GLY 97 8.892 -6.496 6.957 752 H ALA 98 H ALA 98 7.017 -8.417 6.866 753 HA ALA 98 HA ALA 98 4.341 -7.584 6.462 754 HB1 ALA 98 3HB ALA 98 3.765 -9.726 7.586 755 HB2 ALA 98 1HB ALA 98 5.033 -9.916 6.367 756 HB3 ALA 98 2HB ALA 98 5.457 -9.898 8.096 757 H LYS 99 H LYS 99 2.598 -7.333 7.943 758 HA LYS 99 HA LYS 99 3.101 -6.881 10.818 759 HB2 LYS 99 2HB LYS 99 1.666 -4.857 9.021 760 HB3 LYS 99 3HB LYS 99 1.445 -4.942 10.758 761 HG2 LYS 99 2HG LYS 99 3.092 -3.454 10.909 762 HG3 LYS 99 3HG LYS 99 4.160 -4.832 10.699 763 HD2 LYS 99 2HD LYS 99 3.912 -4.289 8.106 764 HD3 LYS 99 3HD LYS 99 3.241 -2.760 8.676 765 HE2 LYS 99 2HE LYS 99 5.542 -2.336 8.323 766 HE3 LYS 99 3HE LYS 99 5.357 -2.463 10.079 767 HZ1 LYS 99 3HZ LYS 99 6.176 -4.783 9.887 768 HZ2 LYS 99 1HZ LYS 99 7.282 -3.750 9.226 769 HZ3 LYS 99 2HZ LYS 99 6.301 -4.617 8.266 770 H GLY 100 H GLY 100 1.191 -7.114 12.111 771 HA2 GLY 100 2HA GLY 100 -1.023 -8.711 10.952 772 HA3 GLY 100 3HA GLY 100 -0.760 -8.341 12.660 773 H LYS 101 H LYS 101 -3.231 -7.937 11.367 774 HA LYS 101 HA LYS 101 -3.735 -5.383 10.334 775 HB2 LYS 101 2HB LYS 101 -5.166 -7.510 10.436 776 HB3 LYS 101 3HB LYS 101 -5.592 -7.052 12.091 777 HG2 LYS 101 2HG LYS 101 -6.622 -4.959 11.250 778 HG3 LYS 101 3HG LYS 101 -6.019 -5.323 9.618 779 HD2 LYS 101 2HD LYS 101 -8.330 -5.911 9.687 780 HD3 LYS 101 3HD LYS 101 -7.354 -7.398 9.586 781 HE2 LYS 101 2HE LYS 101 -7.699 -7.875 11.931 782 HE3 LYS 101 3HE LYS 101 -8.435 -6.289 12.209 783 HZ1 LYS 101 3HZ LYS 101 -9.594 -8.356 10.414 784 HZ2 LYS 101 1HZ LYS 101 -10.292 -6.931 10.828 785 HZ3 LYS 101 2HZ LYS 101 -10.093 -8.098 11.962 786 H ALA 102 H ALA 102 -3.402 -6.279 13.705 787 HA ALA 102 HA ALA 102 -4.566 -3.856 14.791 788 HB1 ALA 102 3HB ALA 102 -4.351 -5.932 16.097 789 HB2 ALA 102 1HB ALA 102 -2.577 -5.824 16.015 790 HB3 ALA 102 2HB ALA 102 -3.507 -4.593 16.896 791 H ALA 103 H ALA 103 -1.175 -4.811 14.086 792 HA ALA 103 HA ALA 103 0.007 -2.354 14.980 793 HB1 ALA 103 3HB ALA 103 2.012 -3.217 13.810 794 HB2 ALA 103 1HB ALA 103 1.256 -4.456 14.831 795 HB3 ALA 103 2HB ALA 103 1.030 -4.499 13.068 796 H LEU 104 H LEU 104 -0.818 -3.502 11.640 797 HA LEU 104 HA LEU 104 -0.015 -1.088 10.314 798 HB2 LEU 104 2HB LEU 104 -0.360 -3.280 9.241 799 HB3 LEU 104 3HB LEU 104 -2.085 -3.143 9.552 800 HG LEU 104 HG LEU 104 -2.225 -1.178 8.043 801 HD11 LEU 104 1HD1 LEU 104 -0.226 -0.666 6.587 802 HD12 LEU 104 2HD1 LEU 104 0.764 -1.661 7.672 803 HD13 LEU 104 3HD1 LEU 104 -0.021 -0.178 8.269 804 HD21 LEU 104 3HD2 LEU 104 -1.789 -2.353 5.932 805 HD22 LEU 104 1HD2 LEU 104 -2.522 -3.444 7.117 806 HD23 LEU 104 2HD2 LEU 104 -0.778 -3.544 6.782 807 H LEU 105 H LEU 105 -3.248 -2.010 11.704 808 HA LEU 105 HA LEU 105 -4.566 0.394 10.932 809 HB2 LEU 105 2HB LEU 105 -5.718 -1.648 11.775 810 HB3 LEU 105 3HB LEU 105 -5.038 -1.360 13.370 811 HG LEU 105 HG LEU 105 -6.335 0.733 13.568 812 HD11 LEU 105 1HD1 LEU 105 -6.526 1.413 11.202 813 HD12 LEU 105 2HD1 LEU 105 -8.122 1.249 11.929 814 HD13 LEU 105 3HD1 LEU 105 -7.512 -0.029 10.853 815 HD21 LEU 105 3HD2 LEU 105 -8.035 -1.648 12.719 816 HD22 LEU 105 1HD2 LEU 105 -8.548 -0.294 13.754 817 HD23 LEU 105 2HD2 LEU 105 -7.299 -1.412 14.321 818 H ARG 106 H ARG 106 -2.627 -0.332 13.896 819 HA ARG 106 HA ARG 106 -2.975 2.195 15.177 820 HB2 ARG 106 2HB ARG 106 -1.739 -0.072 15.885 821 HB3 ARG 106 3HB ARG 106 -0.316 0.740 15.265 822 HG2 ARG 106 2HG ARG 106 -2.127 1.541 17.562 823 HG3 ARG 106 3HG ARG 106 -0.449 1.025 17.646 824 HD2 ARG 106 2HD ARG 106 -1.509 3.660 16.565 825 HD3 ARG 106 3HD ARG 106 -0.639 3.396 18.079 826 HE ARG 106 HE ARG 106 1.066 2.489 16.001 827 HH11 ARG 106 2HH2 ARG 106 -0.265 5.526 17.117 828 HH12 ARG 106 1HH2 ARG 106 0.943 6.478 16.289 829 HH21 ARG 106 1HH1 ARG 106 2.638 3.709 15.077 830 HH22 ARG 106 2HH1 ARG 106 2.690 5.444 15.381 831 H GLU 107 H GLU 107 -0.460 1.156 12.855 832 HA GLU 107 HA GLU 107 0.878 3.667 12.698 833 HB2 GLU 107 2HB GLU 107 0.678 1.415 10.635 834 HB3 GLU 107 3HB GLU 107 1.799 2.766 10.531 835 HG2 GLU 107 2HG GLU 107 1.756 0.641 12.628 836 HG3 GLU 107 3HG GLU 107 2.947 0.849 11.382 837 H LEU 108 H LEU 108 -1.935 2.522 10.907 838 HA LEU 108 HA LEU 108 -2.011 4.849 9.170 839 HB2 LEU 108 2HB LEU 108 -3.043 2.283 9.132 840 HB3 LEU 108 3HB LEU 108 -4.473 3.199 9.552 841 HG LEU 108 HG LEU 108 -2.617 3.709 7.165 842 HD11 LEU 108 1HD1 LEU 108 -5.304 2.294 7.359 843 HD12 LEU 108 2HD1 LEU 108 -3.738 1.570 6.942 844 HD13 LEU 108 3HD1 LEU 108 -4.494 2.730 5.837 845 HD21 LEU 108 3HD2 LEU 108 -3.785 5.765 7.743 846 HD22 LEU 108 1HD2 LEU 108 -5.330 4.901 7.877 847 HD23 LEU 108 2HD2 LEU 108 -4.525 5.074 6.297 848 H SER 109 H SER 109 -3.670 3.903 12.172 849 HA SER 109 HA SER 109 -5.394 6.201 12.415 850 HB2 SER 109 2HB SER 109 -4.304 4.334 14.561 851 HB3 SER 109 3HB SER 109 -5.646 5.472 14.753 852 HG SER 109 HG SER 109 -5.496 3.178 13.106 853 H ASP 110 H ASP 110 -2.007 5.719 13.102 854 HA ASP 110 HA ASP 110 -1.404 7.946 14.704 855 HB2 ASP 110 2HB ASP 110 0.048 6.019 13.636 856 HB3 ASP 110 3HB ASP 110 0.208 7.126 12.272 857 H VAL 111 H VAL 111 -2.739 7.975 11.520 858 HA VAL 111 HA VAL 111 -2.157 10.873 11.110 859 HB VAL 111 HB VAL 111 -2.816 8.875 8.925 860 HG11 VAL 111 1HG1 VAL 111 -1.598 11.668 8.849 861 HG12 VAL 111 2HG1 VAL 111 -1.859 10.606 7.445 862 HG13 VAL 111 3HG1 VAL 111 -3.245 11.214 8.341 863 HG21 VAL 111 3HG2 VAL 111 -0.387 9.003 8.291 864 HG22 VAL 111 1HG2 VAL 111 -0.062 9.825 9.834 865 HG23 VAL 111 2HG2 VAL 111 -0.656 8.149 9.808 866 H VAL 112 H VAL 112 -3.888 12.157 10.408 867 HA VAL 112 HA VAL 112 -6.525 11.352 11.353 868 HB VAL 112 HB VAL 112 -7.230 13.639 10.641 869 HG11 VAL 112 1HG1 VAL 112 -6.426 13.152 12.922 870 HG12 VAL 112 2HG1 VAL 112 -4.763 13.536 12.424 871 HG13 VAL 112 3HG1 VAL 112 -6.014 14.796 12.410 872 HG21 VAL 112 3HG2 VAL 112 -4.285 14.101 9.994 873 HG22 VAL 112 1HG2 VAL 112 -5.605 14.038 8.802 874 HG23 VAL 112 2HG2 VAL 112 -5.578 15.311 10.026 875 HA PRO 113 HA PRO 113 -8.793 12.039 10.919 876 HB2 PRO 113 2HB PRO 113 -11.102 10.783 10.294 877 HB3 PRO 113 3HB PRO 113 -10.559 12.266 9.449 878 HG2 PRO 113 2HG PRO 113 -10.228 9.385 8.543 879 HG3 PRO 113 3HG PRO 113 -10.855 10.774 7.601 880 HD2 PRO 113 2HD PRO 113 -8.248 9.937 7.467 881 HD3 PRO 113 3HD PRO 113 -8.700 11.658 7.298 882 H ASN 114 H ASN 114 -9.127 11.092 12.846 883 HA ASN 114 HA ASN 114 -9.527 8.227 13.200 884 HB2 ASN 114 2HB ASN 114 -7.069 8.311 13.182 885 HB3 ASN 114 3HB ASN 114 -7.075 9.663 14.315 886 HD21 ASN 114 1HD2 ASN 114 -5.615 8.214 15.584 887 HD22 ASN 114 2HD2 ASN 114 -6.485 7.232 16.786 888 H LEU 115 H LEU 115 -10.755 7.851 15.010 889 HA LEU 115 HA LEU 115 -11.962 10.143 16.376 890 HB2 LEU 115 2HB LEU 115 -13.257 8.242 15.442 891 HB3 LEU 115 3HB LEU 115 -12.445 7.143 16.556 892 HG LEU 115 HG LEU 115 -13.516 8.276 18.482 893 HD11 LEU 115 1HD1 LEU 115 -13.808 10.560 17.605 894 HD12 LEU 115 2HD1 LEU 115 -15.371 9.889 18.074 895 HD13 LEU 115 3HD1 LEU 115 -14.923 9.959 16.355 896 HD21 LEU 115 3HD2 LEU 115 -14.621 6.367 17.389 897 HD22 LEU 115 1HD2 LEU 115 -15.479 7.478 16.298 898 HD23 LEU 115 2HD2 LEU 115 -15.802 7.510 18.047 899 H ASN 116 H ASN 116 -9.452 7.805 17.137 900 HA ASN 116 HA ASN 116 -9.221 8.863 19.904 901 HB2 ASN 116 2HB ASN 116 -10.753 6.902 20.029 902 HB3 ASN 116 3HB ASN 116 -9.521 5.893 19.269 903 HD21 ASN 116 1HD2 ASN 116 -9.978 8.081 22.096 904 HD22 ASN 116 2HD2 ASN 116 -8.992 7.104 23.175 Start of MODEL 11 1 H1 MET 1 1H MET 1 -17.634 -21.727 -4.026 2 HA MET 1 HA MET 1 -18.404 -20.561 -2.052 3 HB2 MET 1 2HB MET 1 -16.812 -18.882 -4.044 4 HB3 MET 1 3HB MET 1 -17.087 -18.419 -2.367 5 HG2 MET 1 2HG MET 1 -14.949 -19.393 -2.449 6 HG3 MET 1 3HG MET 1 -16.001 -20.516 -1.598 7 HE1 MET 1 3HE MET 1 -13.069 -21.207 -2.622 8 HE2 MET 1 1HE MET 1 -14.117 -22.363 -1.766 9 HE3 MET 1 2HE MET 1 -13.323 -22.836 -3.284 10 H THR 2 H THR 2 -19.401 -18.662 -1.129 11 HA THR 2 HA THR 2 -21.798 -17.770 -2.551 12 HB THR 2 HB THR 2 -22.171 -16.464 -0.421 13 HG1 THR 2 HG1 THR 2 -20.852 -17.003 1.319 14 HG21 THR 2 3HG2 THR 2 -22.725 -18.427 0.930 15 HG22 THR 2 1HG2 THR 2 -21.675 -19.454 -0.071 16 HG23 THR 2 2HG2 THR 2 -23.138 -18.722 -0.766 17 H ASP 3 H ASP 3 -22.421 -15.532 -2.753 18 HA ASP 3 HA ASP 3 -20.288 -13.491 -2.913 19 HB2 ASP 3 2HB ASP 3 -20.249 -14.576 -5.116 20 HB3 ASP 3 3HB ASP 3 -21.996 -14.375 -5.273 21 H SER 4 H SER 4 -21.017 -11.446 -2.569 22 HA SER 4 HA SER 4 -23.814 -10.660 -2.775 23 HB2 SER 4 2HB SER 4 -24.065 -10.013 -0.384 24 HB3 SER 4 3HB SER 4 -24.014 -11.761 -0.642 25 HG SER 4 HG SER 4 -22.703 -11.120 1.126 26 H GLU 5 H GLU 5 -20.667 -9.774 -1.279 27 HA GLU 5 HA GLU 5 -20.689 -7.144 -2.623 28 HB2 GLU 5 2HB GLU 5 -20.303 -7.560 0.374 29 HB3 GLU 5 3HB GLU 5 -19.918 -6.081 -0.502 30 HG2 GLU 5 2HG GLU 5 -22.292 -5.908 -1.179 31 HG3 GLU 5 3HG GLU 5 -22.651 -7.296 -0.150 32 H LYS 6 H LYS 6 -18.700 -6.404 -3.079 33 HA LYS 6 HA LYS 6 -16.378 -8.260 -2.882 34 HB2 LYS 6 2HB LYS 6 -17.042 -5.884 -4.649 35 HB3 LYS 6 3HB LYS 6 -15.387 -6.442 -4.476 36 HG2 LYS 6 2HG LYS 6 -16.347 -7.383 -6.460 37 HG3 LYS 6 3HG LYS 6 -15.949 -8.659 -5.310 38 HD2 LYS 6 2HD LYS 6 -18.297 -8.965 -4.739 39 HD3 LYS 6 3HD LYS 6 -18.761 -7.543 -5.706 40 HE2 LYS 6 2HE LYS 6 -17.962 -8.670 -7.753 41 HE3 LYS 6 3HE LYS 6 -17.430 -10.063 -6.799 42 HZ1 LYS 6 3HZ LYS 6 -19.726 -10.473 -6.171 43 HZ2 LYS 6 1HZ LYS 6 -19.623 -10.438 -7.795 44 HZ3 LYS 6 2HZ LYS 6 -20.253 -9.158 -7.003 45 H SER 7 H SER 7 -14.281 -7.516 -2.347 46 HA SER 7 HA SER 7 -14.116 -5.770 -0.020 47 HB2 SER 7 2HB SER 7 -11.700 -6.306 -0.153 48 HB3 SER 7 3HB SER 7 -12.741 -7.737 -0.099 49 HG SER 7 HG SER 7 -11.182 -8.028 -1.685 50 H ALA 8 H ALA 8 -12.615 -3.971 0.141 51 HA ALA 8 HA ALA 8 -12.939 -2.184 -2.216 52 HB1 ALA 8 3HB ALA 8 -14.163 -1.682 -0.128 53 HB2 ALA 8 1HB ALA 8 -12.604 -1.491 0.706 54 HB3 ALA 8 2HB ALA 8 -13.051 -0.387 -0.606 55 H THR 9 H THR 9 -10.496 -3.984 -1.748 56 HA THR 9 HA THR 9 -8.326 -1.960 -1.588 57 HB THR 9 HB THR 9 -7.951 -3.998 -0.359 58 HG1 THR 9 HG1 THR 9 -6.176 -3.000 -1.274 59 HG21 THR 9 3HG2 THR 9 -7.521 -6.143 -1.470 60 HG22 THR 9 1HG2 THR 9 -8.065 -5.470 -3.023 61 HG23 THR 9 2HG2 THR 9 -9.209 -5.652 -1.680 62 H ILE 10 H ILE 10 -6.767 -1.683 -3.234 63 HA ILE 10 HA ILE 10 -7.672 -2.304 -6.022 64 HB ILE 10 HB ILE 10 -7.113 -0.060 -6.731 65 HG12 ILE 10 2HG1 ILE 10 -6.645 0.660 -3.805 66 HG13 ILE 10 3HG1 ILE 10 -5.376 0.435 -5.011 67 HG21 ILE 10 1HG2 ILE 10 -9.056 0.108 -4.394 68 HG22 ILE 10 2HG2 ILE 10 -9.054 1.079 -5.879 69 HG23 ILE 10 3HG2 ILE 10 -9.431 -0.643 -5.960 70 HD11 ILE 10 3HD1 ILE 10 -5.787 2.795 -4.735 71 HD12 ILE 10 1HD1 ILE 10 -6.295 2.298 -6.360 72 HD13 ILE 10 2HD1 ILE 10 -7.509 2.597 -5.093 73 H LYS 11 H LYS 11 -5.918 -1.772 -7.667 74 HA LYS 11 HA LYS 11 -3.181 -1.926 -6.569 75 HB2 LYS 11 2HB LYS 11 -2.372 -3.486 -8.124 76 HB3 LYS 11 3HB LYS 11 -3.737 -4.215 -7.277 77 HG2 LYS 11 2HG LYS 11 -5.201 -3.684 -9.261 78 HG3 LYS 11 3HG LYS 11 -3.772 -3.085 -10.115 79 HD2 LYS 11 2HD LYS 11 -4.214 -5.926 -9.101 80 HD3 LYS 11 3HD LYS 11 -4.298 -5.387 -10.786 81 HE2 LYS 11 2HE LYS 11 -1.894 -4.733 -10.699 82 HE3 LYS 11 3HE LYS 11 -1.814 -5.255 -9.014 83 HZ1 LYS 11 3HZ LYS 11 -0.965 -6.974 -10.297 84 HZ2 LYS 11 1HZ LYS 11 -2.233 -7.008 -11.356 85 HZ3 LYS 11 2HZ LYS 11 -2.422 -7.515 -9.805 86 H VAL 12 H VAL 12 -1.567 -0.971 -7.763 87 HA VAL 12 HA VAL 12 -2.470 1.049 -9.783 88 HB VAL 12 HB VAL 12 -1.057 2.719 -8.693 89 HG11 VAL 12 1HG1 VAL 12 -3.082 1.560 -6.732 90 HG12 VAL 12 2HG1 VAL 12 -2.518 3.237 -6.833 91 HG13 VAL 12 3HG1 VAL 12 -3.483 2.548 -8.151 92 HG21 VAL 12 3HG2 VAL 12 -0.216 2.432 -6.413 93 HG22 VAL 12 1HG2 VAL 12 -0.750 0.748 -6.383 94 HG23 VAL 12 2HG2 VAL 12 0.549 1.250 -7.485 95 H THR 13 H THR 13 -0.867 1.940 -11.140 96 HA THR 13 HA THR 13 1.818 0.708 -11.271 97 HB THR 13 HB THR 13 1.680 0.553 -13.745 98 HG1 THR 13 HG1 THR 13 -0.384 0.498 -14.686 99 HG21 THR 13 3HG2 THR 13 1.334 -1.479 -12.319 100 HG22 THR 13 1HG2 THR 13 0.526 -1.562 -13.895 101 HG23 THR 13 2HG2 THR 13 -0.420 -1.216 -12.429 102 H ASP 14 H ASP 14 3.313 2.041 -12.558 103 HA ASP 14 HA ASP 14 3.271 4.552 -11.446 104 HB2 ASP 14 2HB ASP 14 5.172 3.077 -12.468 105 HB3 ASP 14 3HB ASP 14 4.899 4.001 -13.937 106 H ALA 15 H ALA 15 2.007 3.827 -14.650 107 HA ALA 15 HA ALA 15 1.864 6.573 -15.576 108 HB1 ALA 15 3HB ALA 15 1.970 4.628 -17.091 109 HB2 ALA 15 1HB ALA 15 0.396 4.057 -16.481 110 HB3 ALA 15 2HB ALA 15 0.507 5.588 -17.377 111 H SER 16 H SER 16 -0.164 4.655 -13.475 112 HA SER 16 HA SER 16 -2.418 6.617 -13.631 113 HB2 SER 16 2HB SER 16 -2.430 3.740 -12.669 114 HB3 SER 16 3HB SER 16 -3.825 4.841 -12.758 115 HG SER 16 HG SER 16 -3.675 3.448 -14.591 116 H PHE 17 H PHE 17 0.030 5.356 -11.517 117 HA PHE 17 HA PHE 17 -0.927 5.546 -8.969 118 HB2 PHE 17 2HB PHE 17 1.366 4.876 -9.843 119 HB3 PHE 17 3HB PHE 17 1.792 6.574 -9.890 120 HD1 PHE 17 HD1 PHE 17 1.787 7.887 -7.634 121 HD2 PHE 17 HD2 PHE 17 1.552 3.589 -7.902 122 HE1 PHE 17 HE1 PHE 17 2.513 7.690 -5.266 123 HE2 PHE 17 HE2 PHE 17 2.337 3.404 -5.560 124 HZ PHE 17 HZ PHE 17 2.806 5.452 -4.232 125 H ALA 18 H ALA 18 0.146 8.344 -10.947 126 HA ALA 18 HA ALA 18 -0.103 10.220 -8.832 127 HB1 ALA 18 3HB ALA 18 -0.170 10.668 -11.842 128 HB2 ALA 18 1HB ALA 18 0.105 11.917 -10.605 129 HB3 ALA 18 2HB ALA 18 1.285 10.611 -10.811 130 H THR 19 H THR 19 -2.549 8.925 -11.002 131 HA THR 19 HA THR 19 -4.594 10.892 -10.083 132 HB THR 19 HB THR 19 -4.855 8.465 -11.905 133 HG1 THR 19 HG1 THR 19 -3.586 10.170 -12.754 134 HG21 THR 19 3HG2 THR 19 -7.044 9.030 -10.965 135 HG22 THR 19 1HG2 THR 19 -6.966 9.583 -12.642 136 HG23 THR 19 2HG2 THR 19 -6.785 10.755 -11.316 137 H ASP 20 H ASP 20 -3.588 7.524 -9.495 138 HA ASP 20 HA ASP 20 -5.993 6.913 -7.947 139 HB2 ASP 20 2HB ASP 20 -3.375 5.414 -8.337 140 HB3 ASP 20 3HB ASP 20 -4.750 4.786 -7.431 141 H VAL 21 H VAL 21 -2.628 7.635 -7.094 142 HA VAL 21 HA VAL 21 -3.267 7.491 -4.185 143 HB VAL 21 HB VAL 21 -0.546 7.566 -5.530 144 HG11 VAL 21 1HG1 VAL 21 -1.370 6.751 -2.716 145 HG12 VAL 21 2HG1 VAL 21 0.268 6.714 -3.394 146 HG13 VAL 21 3HG1 VAL 21 -0.542 8.263 -3.152 147 HG21 VAL 21 3HG2 VAL 21 -1.643 5.507 -6.248 148 HG22 VAL 21 1HG2 VAL 21 -0.441 5.125 -5.022 149 HG23 VAL 21 2HG2 VAL 21 -2.160 5.157 -4.581 150 H LEU 22 H LEU 22 -1.492 9.591 -6.515 151 HA LEU 22 HA LEU 22 -1.122 11.597 -4.459 152 HB2 LEU 22 2HB LEU 22 -0.452 11.913 -7.378 153 HB3 LEU 22 3HB LEU 22 0.183 12.817 -6.019 154 HG LEU 22 HG LEU 22 0.687 9.871 -6.584 155 HD11 LEU 22 1HD1 LEU 22 2.548 12.273 -6.712 156 HD12 LEU 22 2HD1 LEU 22 1.855 11.426 -8.110 157 HD13 LEU 22 3HD1 LEU 22 2.983 10.581 -7.038 158 HD21 LEU 22 3HD2 LEU 22 0.737 10.253 -4.147 159 HD22 LEU 22 1HD2 LEU 22 1.824 11.642 -4.381 160 HD23 LEU 22 2HD2 LEU 22 2.371 10.001 -4.767 161 H SER 23 H SER 23 -3.729 11.122 -6.610 162 HA SER 23 HA SER 23 -4.600 13.953 -6.404 163 HB2 SER 23 2HB SER 23 -4.638 12.626 -8.582 164 HB3 SER 23 3HB SER 23 -6.059 11.801 -7.913 165 HG SER 23 HG SER 23 -7.026 13.876 -7.666 166 H SER 24 H SER 24 -4.757 11.510 -4.280 167 HA SER 24 HA SER 24 -7.509 11.071 -3.781 168 HB2 SER 24 2HB SER 24 -6.670 10.038 -1.717 169 HB3 SER 24 3HB SER 24 -5.801 9.490 -3.149 170 HG SER 24 HG SER 24 -4.031 10.432 -2.470 171 H ASN 25 H ASN 25 -8.842 11.668 -2.118 172 HA ASN 25 HA ASN 25 -8.188 14.130 -0.562 173 HB2 ASN 25 2HB ASN 25 -10.062 14.134 -2.382 174 HB3 ASN 25 3HB ASN 25 -11.007 13.232 -1.201 175 HD21 ASN 25 1HD2 ASN 25 -10.934 14.372 1.106 176 HD22 ASN 25 2HD2 ASN 25 -11.198 16.119 1.036 177 H LYS 26 H LYS 26 -7.410 11.466 0.084 178 HA LYS 26 HA LYS 26 -8.444 11.047 2.788 179 HB2 LYS 26 2HB LYS 26 -8.895 8.596 2.296 180 HB3 LYS 26 3HB LYS 26 -10.093 9.721 1.680 181 HG2 LYS 26 2HG LYS 26 -9.413 9.429 -0.562 182 HG3 LYS 26 3HG LYS 26 -7.848 8.748 -0.111 183 HD2 LYS 26 2HD LYS 26 -9.481 7.117 -1.062 184 HD3 LYS 26 3HD LYS 26 -8.755 6.669 0.478 185 HE2 LYS 26 2HE LYS 26 -10.783 7.204 1.694 186 HE3 LYS 26 3HE LYS 26 -11.534 7.905 0.254 187 HZ1 LYS 26 3HZ LYS 26 -12.160 5.491 0.820 188 HZ2 LYS 26 1HZ LYS 26 -10.665 5.067 0.298 189 HZ3 LYS 26 2HZ LYS 26 -11.702 5.772 -0.728 190 HA PRO 27 HA PRO 27 -4.296 9.194 3.063 191 HB2 PRO 27 2HB PRO 27 -5.289 6.944 4.719 192 HB3 PRO 27 3HB PRO 27 -4.060 8.179 5.114 193 HG2 PRO 27 2HG PRO 27 -6.567 8.185 6.249 194 HG3 PRO 27 3HG PRO 27 -5.671 9.689 5.879 195 HD2 PRO 27 2HD PRO 27 -7.826 8.364 4.250 196 HD3 PRO 27 3HD PRO 27 -7.655 10.094 4.683 197 H VAL 28 H VAL 28 -3.170 7.594 1.971 198 HA VAL 28 HA VAL 28 -4.655 5.274 0.857 199 HB VAL 28 HB VAL 28 -2.825 6.974 -0.862 200 HG11 VAL 28 1HG1 VAL 28 -2.683 4.579 -1.430 201 HG12 VAL 28 2HG1 VAL 28 -4.457 4.452 -1.443 202 HG13 VAL 28 3HG1 VAL 28 -3.617 5.424 -2.665 203 HG21 VAL 28 3HG2 VAL 28 -4.991 8.093 -0.615 204 HG22 VAL 28 1HG2 VAL 28 -4.870 7.377 -2.223 205 HG23 VAL 28 2HG2 VAL 28 -5.848 6.578 -0.972 206 H LEU 29 H LEU 29 -3.691 3.509 1.517 207 HA LEU 29 HA LEU 29 -0.824 3.559 2.362 208 HB2 LEU 29 2HB LEU 29 -3.006 2.858 3.766 209 HB3 LEU 29 3HB LEU 29 -2.798 1.353 2.930 210 HG LEU 29 HG LEU 29 -0.738 2.684 4.723 211 HD11 LEU 29 1HD1 LEU 29 -2.398 0.172 5.167 212 HD12 LEU 29 2HD1 LEU 29 -2.768 1.766 5.853 213 HD13 LEU 29 3HD1 LEU 29 -1.275 0.950 6.314 214 HD21 LEU 29 3HD2 LEU 29 0.454 1.350 3.080 215 HD22 LEU 29 1HD2 LEU 29 -0.657 -0.022 3.333 216 HD23 LEU 29 2HD2 LEU 29 0.439 0.508 4.631 217 H VAL 30 H VAL 30 0.582 2.840 0.770 218 HA VAL 30 HA VAL 30 -0.435 0.850 -1.231 219 HB VAL 30 HB VAL 30 1.968 2.659 -1.556 220 HG11 VAL 30 1HG1 VAL 30 0.292 1.014 -3.518 221 HG12 VAL 30 2HG1 VAL 30 1.656 2.063 -3.944 222 HG13 VAL 30 3HG1 VAL 30 1.941 0.623 -2.975 223 HG21 VAL 30 3HG2 VAL 30 -0.859 3.107 -2.602 224 HG22 VAL 30 1HG2 VAL 30 -0.014 4.112 -1.405 225 HG23 VAL 30 2HG2 VAL 30 0.585 4.029 -3.061 226 H ASP 31 H ASP 31 0.280 -1.167 -1.096 227 HA ASP 31 HA ASP 31 2.827 -1.774 0.318 228 HB2 ASP 31 2HB ASP 31 0.794 -2.981 0.996 229 HB3 ASP 31 3HB ASP 31 0.610 -3.602 -0.646 230 H PHE 32 H PHE 32 4.584 -1.786 -0.854 231 HA PHE 32 HA PHE 32 4.662 -2.533 -3.724 232 HB2 PHE 32 2HB PHE 32 6.718 -1.434 -1.766 233 HB3 PHE 32 3HB PHE 32 7.117 -2.002 -3.373 234 HD1 PHE 32 HD1 PHE 32 4.672 0.411 -1.739 235 HD2 PHE 32 HD2 PHE 32 7.312 -0.414 -5.052 236 HE1 PHE 32 HE1 PHE 32 4.128 2.614 -2.733 237 HE2 PHE 32 HE2 PHE 32 6.801 1.808 -6.002 238 HZ PHE 32 HZ PHE 32 5.179 3.319 -4.861 239 H TRP 33 H TRP 33 4.709 -4.645 -4.126 240 HA TRP 33 HA TRP 33 6.071 -6.550 -2.300 241 HB2 TRP 33 2HB TRP 33 4.165 -7.559 -1.568 242 HB3 TRP 33 3HB TRP 33 3.674 -5.894 -1.555 243 HD1 TRP 33 HD1 TRP 33 3.096 -6.226 -4.950 244 HE1 TRP 33 HE1 TRP 33 0.970 -7.355 -5.675 245 HE3 TRP 33 HE3 TRP 33 1.743 -8.209 -0.434 246 HZ2 TRP 33 HZ2 TRP 33 -1.127 -8.977 -4.433 247 HZ3 TRP 33 HZ3 TRP 33 -0.372 -9.471 -0.219 248 HH2 TRP 33 HH2 TRP 33 -1.823 -9.859 -2.194 249 H ALA 34 H ALA 34 5.473 -8.907 -3.055 250 HA ALA 34 HA ALA 34 4.760 -9.088 -5.887 251 HB1 ALA 34 3HB ALA 34 7.250 -9.238 -5.905 252 HB2 ALA 34 1HB ALA 34 7.157 -10.628 -4.798 253 HB3 ALA 34 2HB ALA 34 6.461 -10.736 -6.429 254 H THR 35 H THR 35 3.493 -10.930 -6.339 255 HA THR 35 HA THR 35 1.956 -11.868 -4.123 256 HB THR 35 HB THR 35 0.855 -13.333 -5.859 257 HG1 THR 35 HG1 THR 35 1.513 -13.003 -7.994 258 HG21 THR 35 3HG2 THR 35 0.074 -11.024 -5.438 259 HG22 THR 35 1HG2 THR 35 -0.110 -11.479 -7.139 260 HG23 THR 35 2HG2 THR 35 1.219 -10.405 -6.648 261 H TRP 36 H TRP 36 4.741 -13.302 -5.671 262 HA TRP 36 HA TRP 36 4.357 -15.949 -4.462 263 HB2 TRP 36 2HB TRP 36 6.621 -16.348 -5.514 264 HB3 TRP 36 3HB TRP 36 5.296 -15.968 -6.591 265 HD1 TRP 36 HD1 TRP 36 5.692 -14.204 -8.328 266 HE1 TRP 36 HE1 TRP 36 7.487 -12.450 -8.863 267 HE3 TRP 36 HE3 TRP 36 8.515 -14.602 -4.054 268 HZ2 TRP 36 HZ2 TRP 36 9.743 -11.246 -7.524 269 HZ3 TRP 36 HZ3 TRP 36 10.453 -13.097 -3.698 270 HH2 TRP 36 HH2 TRP 36 11.073 -11.414 -5.416 271 H CYS 37 H CYS 37 5.500 -13.022 -3.179 272 HA CYS 37 HA CYS 37 7.665 -14.173 -1.565 273 HB2 CYS 37 2HB CYS 37 8.292 -12.081 -1.992 274 HB3 CYS 37 3HB CYS 37 6.672 -11.515 -2.286 275 H GLY 38 H GLY 38 7.599 -14.840 0.502 276 HA2 GLY 38 2HA GLY 38 5.251 -15.872 1.611 277 HA3 GLY 38 3HA GLY 38 6.767 -15.653 2.483 278 HA PRO 39 HA PRO 39 4.918 -12.465 4.952 279 HB2 PRO 39 2HB PRO 39 6.532 -10.227 4.875 280 HB3 PRO 39 3HB PRO 39 6.910 -11.731 5.764 281 HG2 PRO 39 2HG PRO 39 7.869 -10.902 3.015 282 HG3 PRO 39 3HG PRO 39 8.825 -11.572 4.369 283 HD2 PRO 39 2HD PRO 39 7.963 -13.129 2.330 284 HD3 PRO 39 3HD PRO 39 7.973 -13.751 4.005 285 H CYS 40 H CYS 40 5.486 -11.583 1.582 286 HA CYS 40 HA CYS 40 3.676 -9.326 1.498 287 HB2 CYS 40 2HB CYS 40 4.389 -11.234 -0.757 288 HB3 CYS 40 3HB CYS 40 3.725 -9.628 -0.887 289 H LYS 41 H LYS 41 3.265 -12.843 0.676 290 HA LYS 41 HA LYS 41 0.449 -12.683 0.259 291 HB2 LYS 41 2HB LYS 41 1.984 -14.488 -0.547 292 HB3 LYS 41 3HB LYS 41 2.200 -15.033 1.116 293 HG2 LYS 41 2HG LYS 41 0.638 -16.465 -0.018 294 HG3 LYS 41 3HG LYS 41 -0.211 -15.585 1.253 295 HD2 LYS 41 2HD LYS 41 -1.139 -14.019 -0.465 296 HD3 LYS 41 3HD LYS 41 -0.250 -14.903 -1.728 297 HE2 LYS 41 2HE LYS 41 -1.499 -16.978 -1.077 298 HE3 LYS 41 3HE LYS 41 -2.400 -16.035 0.119 299 HZ1 LYS 41 3HZ LYS 41 -3.644 -16.258 -1.955 300 HZ2 LYS 41 1HZ LYS 41 -2.449 -15.558 -2.816 301 HZ3 LYS 41 2HZ LYS 41 -3.286 -14.687 -1.711 302 H MET 42 H MET 42 2.336 -13.198 3.221 303 HA MET 42 HA MET 42 0.233 -13.789 5.014 304 HB2 MET 42 2HB MET 42 2.683 -13.887 5.490 305 HB3 MET 42 3HB MET 42 2.716 -12.120 5.552 306 HG2 MET 42 2HG MET 42 1.140 -12.146 7.449 307 HG3 MET 42 3HG MET 42 1.100 -13.914 7.388 308 HE1 MET 42 3HE MET 42 1.723 -12.125 9.987 309 HE2 MET 42 1HE MET 42 1.644 -13.903 9.999 310 HE3 MET 42 2HE MET 42 3.042 -13.069 10.712 311 H VAL 43 H VAL 43 1.202 -10.549 3.739 312 HA VAL 43 HA VAL 43 -0.826 -9.265 5.446 313 HB VAL 43 HB VAL 43 -0.085 -7.151 4.560 314 HG11 VAL 43 1HG1 VAL 43 0.943 -8.156 6.561 315 HG12 VAL 43 2HG1 VAL 43 2.230 -8.843 5.546 316 HG13 VAL 43 3HG1 VAL 43 2.044 -7.075 5.678 317 HG21 VAL 43 3HG2 VAL 43 0.723 -7.872 2.300 318 HG22 VAL 43 1HG2 VAL 43 1.868 -6.867 3.198 319 HG23 VAL 43 2HG2 VAL 43 2.128 -8.611 3.097 320 H ALA 44 H ALA 44 -1.036 -10.783 2.419 321 HA ALA 44 HA ALA 44 -2.725 -9.077 0.983 322 HB1 ALA 44 3HB ALA 44 -3.510 -11.077 -0.169 323 HB2 ALA 44 1HB ALA 44 -1.761 -11.177 0.105 324 HB3 ALA 44 2HB ALA 44 -2.863 -12.117 1.112 325 HA PRO 45 HA PRO 45 -6.683 -10.641 3.207 326 HB2 PRO 45 2HB PRO 45 -6.521 -11.824 5.682 327 HB3 PRO 45 3HB PRO 45 -6.512 -12.736 4.143 328 HG2 PRO 45 2HG PRO 45 -4.120 -11.872 5.805 329 HG3 PRO 45 3HG PRO 45 -4.471 -13.495 5.126 330 HD2 PRO 45 2HD PRO 45 -2.817 -11.801 3.859 331 HD3 PRO 45 3HD PRO 45 -3.978 -12.787 2.928 332 H VAL 46 H VAL 46 -3.966 -9.586 5.289 333 HA VAL 46 HA VAL 46 -5.520 -7.926 7.046 334 HB VAL 46 HB VAL 46 -2.586 -7.947 6.247 335 HG11 VAL 46 1HG1 VAL 46 -2.931 -5.686 6.951 336 HG12 VAL 46 2HG1 VAL 46 -3.858 -6.208 8.364 337 HG13 VAL 46 3HG1 VAL 46 -2.117 -6.544 8.254 338 HG21 VAL 46 3HG2 VAL 46 -3.962 -8.812 8.823 339 HG22 VAL 46 1HG2 VAL 46 -3.399 -9.904 7.542 340 HG23 VAL 46 2HG2 VAL 46 -2.229 -8.947 8.446 341 H LEU 47 H LEU 47 -3.649 -7.083 4.078 342 HA LEU 47 HA LEU 47 -4.410 -4.317 4.195 343 HB2 LEU 47 2HB LEU 47 -3.179 -4.047 2.218 344 HB3 LEU 47 3HB LEU 47 -2.366 -5.295 3.124 345 HG LEU 47 HG LEU 47 -3.703 -6.933 1.582 346 HD11 LEU 47 1HD1 LEU 47 -4.229 -6.121 -0.622 347 HD12 LEU 47 2HD1 LEU 47 -3.580 -4.501 -0.261 348 HD13 LEU 47 3HD1 LEU 47 -5.086 -5.049 0.466 349 HD21 LEU 47 3HD2 LEU 47 -1.900 -6.836 -0.101 350 HD22 LEU 47 1HD2 LEU 47 -1.268 -6.672 1.540 351 HD23 LEU 47 2HD2 LEU 47 -1.417 -5.239 0.509 352 H GLU 48 H GLU 48 -5.842 -7.144 2.473 353 HA GLU 48 HA GLU 48 -7.912 -5.678 1.139 354 HB2 GLU 48 2HB GLU 48 -7.332 -8.006 0.644 355 HB3 GLU 48 3HB GLU 48 -7.902 -8.526 2.234 356 HG2 GLU 48 2HG GLU 48 -10.192 -7.901 1.672 357 HG3 GLU 48 3HG GLU 48 -9.642 -7.109 0.193 358 H GLU 49 H GLU 49 -7.866 -7.204 4.399 359 HA GLU 49 HA GLU 49 -10.552 -6.460 4.966 360 HB2 GLU 49 2HB GLU 49 -8.252 -7.351 6.724 361 HB3 GLU 49 3HB GLU 49 -9.818 -6.879 7.398 362 HG2 GLU 49 2HG GLU 49 -10.973 -8.534 6.013 363 HG3 GLU 49 3HG GLU 49 -9.467 -9.063 5.296 364 H ILE 50 H ILE 50 -7.451 -4.775 5.946 365 HA ILE 50 HA ILE 50 -8.869 -2.628 7.244 366 HB ILE 50 HB ILE 50 -6.156 -2.692 5.933 367 HG12 ILE 50 2HG1 ILE 50 -6.220 -4.199 7.853 368 HG13 ILE 50 3HG1 ILE 50 -5.290 -2.779 8.284 369 HG21 ILE 50 1HG2 ILE 50 -7.344 -0.502 7.687 370 HG22 ILE 50 2HG2 ILE 50 -5.610 -0.665 7.325 371 HG23 ILE 50 3HG2 ILE 50 -6.759 -0.355 6.027 372 HD11 ILE 50 3HD1 ILE 50 -6.660 -3.336 10.157 373 HD12 ILE 50 1HD1 ILE 50 -7.391 -1.892 9.460 374 HD13 ILE 50 2HD1 ILE 50 -8.117 -3.490 9.169 375 H ALA 51 H ALA 51 -8.039 -3.067 3.754 376 HA ALA 51 HA ALA 51 -8.972 -0.494 2.924 377 HB1 ALA 51 3HB ALA 51 -7.808 -2.247 1.463 378 HB2 ALA 51 1HB ALA 51 -9.345 -3.108 1.400 379 HB3 ALA 51 2HB ALA 51 -9.219 -1.463 0.750 380 H THR 52 H THR 52 -10.747 -3.561 3.565 381 HA THR 52 HA THR 52 -13.284 -2.450 2.629 382 HB THR 52 HB THR 52 -12.674 -5.094 3.984 383 HG1 THR 52 HG1 THR 52 -11.520 -5.035 2.163 384 HG21 THR 52 3HG2 THR 52 -15.100 -4.645 3.927 385 HG22 THR 52 1HG2 THR 52 -14.679 -5.869 2.720 386 HG23 THR 52 2HG2 THR 52 -14.994 -4.195 2.208 387 H GLU 53 H GLU 53 -11.740 -2.887 5.797 388 HA GLU 53 HA GLU 53 -14.210 -2.375 7.288 389 HB2 GLU 53 2HB GLU 53 -11.295 -2.584 8.159 390 HB3 GLU 53 3HB GLU 53 -12.658 -2.309 9.248 391 HG2 GLU 53 2HG GLU 53 -13.694 -4.426 8.110 392 HG3 GLU 53 3HG GLU 53 -12.076 -4.796 7.611 393 H ARG 54 H ARG 54 -11.934 -0.329 5.775 394 HA ARG 54 HA ARG 54 -13.109 2.075 7.109 395 HB2 ARG 54 2HB ARG 54 -10.160 1.521 6.621 396 HB3 ARG 54 3HB ARG 54 -10.813 3.060 7.158 397 HG2 ARG 54 2HG ARG 54 -11.068 0.507 8.781 398 HG3 ARG 54 3HG ARG 54 -9.810 1.713 8.983 399 HD2 ARG 54 2HD ARG 54 -11.526 3.469 9.387 400 HD3 ARG 54 3HD ARG 54 -12.804 2.265 9.251 401 HE ARG 54 HE ARG 54 -10.981 2.703 11.505 402 HH11 ARG 54 1HH1 ARG 54 -13.231 0.355 10.127 403 HH12 ARG 54 2HH1 ARG 54 -13.466 -0.406 11.682 404 HH21 ARG 54 1HH2 ARG 54 -11.337 1.754 13.346 405 HH22 ARG 54 2HH2 ARG 54 -12.401 0.369 13.499 406 H ALA 55 H ALA 55 -13.544 0.820 4.417 407 HA ALA 55 HA ALA 55 -12.283 2.108 2.331 408 HB1 ALA 55 3HB ALA 55 -15.230 1.320 2.500 409 HB2 ALA 55 1HB ALA 55 -14.272 1.502 1.015 410 HB3 ALA 55 2HB ALA 55 -13.888 0.208 2.162 411 H THR 56 H THR 56 -14.810 3.521 4.354 412 HA THR 56 HA THR 56 -15.286 5.834 2.615 413 HB THR 56 HB THR 56 -16.703 6.583 4.579 414 HG1 THR 56 HG1 THR 56 -17.091 5.024 6.158 415 HG21 THR 56 3HG2 THR 56 -17.300 3.789 3.501 416 HG22 THR 56 1HG2 THR 56 -17.665 5.318 2.672 417 HG23 THR 56 2HG2 THR 56 -18.469 4.931 4.202 418 H ASP 57 H ASP 57 -12.999 5.076 5.079 419 HA ASP 57 HA ASP 57 -12.405 7.954 5.639 420 HB2 ASP 57 2HB ASP 57 -11.589 5.366 6.997 421 HB3 ASP 57 3HB ASP 57 -10.916 6.934 7.410 422 H LEU 58 H LEU 58 -10.880 4.941 4.433 423 HA LEU 58 HA LEU 58 -8.834 6.477 3.002 424 HB2 LEU 58 2HB LEU 58 -6.947 5.345 3.931 425 HB3 LEU 58 3HB LEU 58 -7.754 6.305 5.120 426 HG LEU 58 HG LEU 58 -6.680 4.112 5.764 427 HD11 LEU 58 1HD1 LEU 58 -8.349 3.675 7.521 428 HD12 LEU 58 2HD1 LEU 58 -9.495 4.712 6.642 429 HD13 LEU 58 3HD1 LEU 58 -8.004 5.398 7.299 430 HD21 LEU 58 3HD2 LEU 58 -9.248 2.857 4.776 431 HD22 LEU 58 1HD2 LEU 58 -7.966 2.079 5.721 432 HD23 LEU 58 2HD2 LEU 58 -7.624 2.616 4.076 433 H THR 59 H THR 59 -7.256 4.870 1.875 434 HA THR 59 HA THR 59 -8.685 2.414 0.930 435 HB THR 59 HB THR 59 -7.204 4.381 -0.855 436 HG1 THR 59 HG1 THR 59 -9.296 4.492 -1.816 437 HG21 THR 59 3HG2 THR 59 -6.879 2.110 -1.719 438 HG22 THR 59 1HG2 THR 59 -8.081 2.938 -2.706 439 HG23 THR 59 2HG2 THR 59 -8.610 1.745 -1.500 440 H VAL 60 H VAL 60 -7.375 0.620 0.608 441 HA VAL 60 HA VAL 60 -4.442 0.997 0.981 442 HB VAL 60 HB VAL 60 -5.909 -1.486 1.821 443 HG11 VAL 60 1HG1 VAL 60 -3.762 -2.008 2.949 444 HG12 VAL 60 2HG1 VAL 60 -3.654 -1.990 1.180 445 HG13 VAL 60 3HG1 VAL 60 -3.018 -0.635 2.122 446 HG21 VAL 60 3HG2 VAL 60 -4.878 0.794 3.537 447 HG22 VAL 60 1HG2 VAL 60 -6.552 0.231 3.390 448 HG23 VAL 60 2HG2 VAL 60 -5.342 -0.807 4.147 449 H ALA 61 H ALA 61 -3.166 0.229 -0.513 450 HA ALA 61 HA ALA 61 -4.338 -0.920 -2.994 451 HB1 ALA 61 3HB ALA 61 -3.080 0.854 -4.188 452 HB2 ALA 61 1HB ALA 61 -4.225 1.560 -3.026 453 HB3 ALA 61 2HB ALA 61 -2.500 1.483 -2.633 454 H LYS 62 H LYS 62 -2.750 -1.700 -4.527 455 HA LYS 62 HA LYS 62 -0.244 -2.822 -3.300 456 HB2 LYS 62 2HB LYS 62 -2.264 -4.119 -5.159 457 HB3 LYS 62 3HB LYS 62 -0.709 -4.832 -4.712 458 HG2 LYS 62 2HG LYS 62 -1.326 -4.917 -2.365 459 HG3 LYS 62 3HG LYS 62 -2.856 -4.090 -2.665 460 HD2 LYS 62 2HD LYS 62 -2.043 -6.752 -3.864 461 HD3 LYS 62 3HD LYS 62 -3.047 -6.591 -2.437 462 HE2 LYS 62 2HE LYS 62 -3.713 -5.850 -5.310 463 HE3 LYS 62 3HE LYS 62 -4.463 -7.085 -4.306 464 HZ1 LYS 62 3HZ LYS 62 -5.292 -5.177 -2.863 465 HZ2 LYS 62 1HZ LYS 62 -5.912 -5.213 -4.372 466 HZ3 LYS 62 2HZ LYS 62 -4.749 -4.139 -3.997 467 H LEU 63 H LEU 63 1.560 -2.845 -4.423 468 HA LEU 63 HA LEU 63 1.547 -2.210 -7.333 469 HB2 LEU 63 2HB LEU 63 2.229 -0.202 -6.148 470 HB3 LEU 63 3HB LEU 63 3.449 -1.079 -5.248 471 HG LEU 63 HG LEU 63 4.269 0.348 -7.083 472 HD11 LEU 63 1HD1 LEU 63 5.537 -1.702 -6.236 473 HD12 LEU 63 2HD1 LEU 63 6.047 -0.972 -7.772 474 HD13 LEU 63 3HD1 LEU 63 5.098 -2.453 -7.783 475 HD21 LEU 63 3HD2 LEU 63 2.613 0.051 -8.795 476 HD22 LEU 63 1HD2 LEU 63 3.032 -1.668 -8.985 477 HD23 LEU 63 2HD2 LEU 63 4.195 -0.419 -9.427 478 H ASP 64 H ASP 64 2.501 -3.703 -8.486 479 HA ASP 64 HA ASP 64 3.789 -6.022 -7.137 480 HB2 ASP 64 2HB ASP 64 2.842 -5.649 -9.995 481 HB3 ASP 64 3HB ASP 64 3.533 -7.128 -9.317 482 H VAL 65 H VAL 65 5.937 -5.439 -6.709 483 HA VAL 65 HA VAL 65 7.454 -3.743 -8.458 484 HB VAL 65 HB VAL 65 9.361 -4.150 -7.115 485 HG11 VAL 65 1HG1 VAL 65 6.922 -4.166 -5.311 486 HG12 VAL 65 2HG1 VAL 65 8.558 -3.650 -4.867 487 HG13 VAL 65 3HG1 VAL 65 7.656 -2.749 -6.095 488 HG21 VAL 65 3HG2 VAL 65 7.961 -6.517 -5.822 489 HG22 VAL 65 1HG2 VAL 65 9.368 -6.592 -6.902 490 HG23 VAL 65 2HG2 VAL 65 9.516 -5.810 -5.334 491 H ASP 66 H ASP 66 6.956 -7.153 -8.499 492 HA ASP 66 HA ASP 66 9.236 -7.856 -10.149 493 HB2 ASP 66 2HB ASP 66 8.163 -9.299 -8.413 494 HB3 ASP 66 3HB ASP 66 6.724 -9.406 -9.424 495 H THR 67 H THR 67 6.004 -6.707 -10.893 496 HA THR 67 HA THR 67 6.403 -7.401 -13.786 497 HB THR 67 HB THR 67 4.000 -7.657 -14.037 498 HG1 THR 67 HG1 THR 67 2.715 -7.772 -12.200 499 HG21 THR 67 3HG2 THR 67 5.398 -9.663 -13.519 500 HG22 THR 67 1HG2 THR 67 3.725 -9.808 -12.952 501 HG23 THR 67 2HG2 THR 67 5.024 -9.451 -11.794 502 H ASN 68 H ASN 68 5.629 -4.796 -11.570 503 HA ASN 68 HA ASN 68 5.959 -3.048 -13.943 504 HB2 ASN 68 2HB ASN 68 3.537 -3.055 -13.236 505 HB3 ASN 68 3HB ASN 68 4.033 -2.350 -11.695 506 HD21 ASN 68 1HD2 ASN 68 4.451 -1.864 -15.248 507 HD22 ASN 68 2HD2 ASN 68 4.499 -0.110 -15.168 508 HA PRO 69 HA PRO 69 9.259 -2.219 -10.835 509 HB2 PRO 69 2HB PRO 69 10.780 -1.869 -13.410 510 HB3 PRO 69 3HB PRO 69 11.305 -2.643 -11.883 511 HG2 PRO 69 2HG PRO 69 10.590 -4.161 -14.008 512 HG3 PRO 69 3HG PRO 69 10.032 -4.613 -12.363 513 HD2 PRO 69 2HD PRO 69 8.517 -3.082 -14.503 514 HD3 PRO 69 3HD PRO 69 7.990 -4.478 -13.519 515 H GLU 70 H GLU 70 7.778 -0.450 -13.404 516 HA GLU 70 HA GLU 70 9.216 1.956 -13.504 517 HB2 GLU 70 2HB GLU 70 6.222 1.518 -13.784 518 HB3 GLU 70 3HB GLU 70 7.118 2.941 -14.336 519 HG2 GLU 70 2HG GLU 70 8.410 1.504 -15.881 520 HG3 GLU 70 3HG GLU 70 7.441 0.113 -15.382 521 H THR 71 H THR 71 6.539 1.121 -11.180 522 HA THR 71 HA THR 71 6.912 3.668 -9.769 523 HB THR 71 HB THR 71 5.581 1.330 -8.552 524 HG1 THR 71 HG1 THR 71 4.391 3.048 -10.441 525 HG21 THR 71 3HG2 THR 71 5.697 3.453 -7.275 526 HG22 THR 71 1HG2 THR 71 4.045 2.966 -7.641 527 HG23 THR 71 2HG2 THR 71 4.815 4.273 -8.574 528 H ALA 72 H ALA 72 8.165 0.368 -9.457 529 HA ALA 72 HA ALA 72 9.122 0.542 -6.773 530 HB1 ALA 72 3HB ALA 72 10.431 -1.439 -7.374 531 HB2 ALA 72 1HB ALA 72 8.814 -1.561 -8.088 532 HB3 ALA 72 2HB ALA 72 10.213 -1.112 -9.093 533 H ARG 73 H ARG 73 10.691 1.407 -9.883 534 HA ARG 73 HA ARG 73 13.056 2.525 -8.564 535 HB2 ARG 73 2HB ARG 73 13.810 3.168 -10.723 536 HB3 ARG 73 3HB ARG 73 13.094 1.573 -10.848 537 HG2 ARG 73 2HG ARG 73 12.314 2.609 -12.763 538 HG3 ARG 73 3HG ARG 73 10.959 2.768 -11.671 539 HD2 ARG 73 2HD ARG 73 12.532 5.127 -11.292 540 HD3 ARG 73 3HD ARG 73 12.578 4.806 -13.022 541 HE ARG 73 HE ARG 73 9.869 4.563 -12.186 542 HH11 ARG 73 1HH1 ARG 73 12.212 7.160 -12.357 543 HH12 ARG 73 2HH1 ARG 73 10.979 8.374 -12.550 544 HH21 ARG 73 1HH2 ARG 73 8.333 6.161 -12.585 545 HH22 ARG 73 2HH2 ARG 73 8.866 7.810 -12.650 546 H ASN 74 H ASN 74 9.881 3.802 -9.223 547 HA ASN 74 HA ASN 74 10.553 6.588 -9.183 548 HB2 ASN 74 2HB ASN 74 8.287 5.324 -9.812 549 HB3 ASN 74 3HB ASN 74 7.933 5.488 -8.115 550 HD21 ASN 74 1HD2 ASN 74 6.363 6.705 -10.128 551 HD22 ASN 74 2HD2 ASN 74 6.523 8.444 -9.879 552 H PHE 75 H PHE 75 9.597 4.328 -6.584 553 HA PHE 75 HA PHE 75 10.414 6.304 -4.511 554 HB2 PHE 75 2HB PHE 75 8.700 3.815 -4.332 555 HB3 PHE 75 3HB PHE 75 9.141 4.833 -2.965 556 HD1 PHE 75 HD2 PHE 75 8.305 7.166 -2.757 557 HD2 PHE 75 HD1 PHE 75 7.065 4.597 -5.979 558 HE1 PHE 75 HE2 PHE 75 6.471 8.749 -3.314 559 HE2 PHE 75 HE1 PHE 75 5.222 6.177 -6.538 560 HZ PHE 75 HZ PHE 75 4.939 8.263 -5.214 561 H GLN 76 H GLN 76 12.047 4.027 -6.137 562 HA GLN 76 HA GLN 76 13.882 2.733 -5.788 563 HB2 GLN 76 2HB GLN 76 14.398 4.960 -3.793 564 HB3 GLN 76 3HB GLN 76 15.616 3.779 -4.259 565 HG2 GLN 76 2HG GLN 76 14.214 5.610 -6.253 566 HG3 GLN 76 3HG GLN 76 15.736 5.989 -5.463 567 HE21 GLN 76 1HE2 GLN 76 14.525 4.746 -8.315 568 HE22 GLN 76 2HE2 GLN 76 15.951 3.815 -8.782 569 H VAL 77 H VAL 77 11.900 1.358 -4.770 570 HA VAL 77 HA VAL 77 12.136 0.730 -1.969 571 HB VAL 77 HB VAL 77 10.047 0.493 -3.216 572 HG11 VAL 77 1HG1 VAL 77 10.969 -0.533 -5.309 573 HG12 VAL 77 2HG1 VAL 77 11.186 -2.056 -4.429 574 HG13 VAL 77 3HG1 VAL 77 9.562 -1.378 -4.642 575 HG21 VAL 77 3HG2 VAL 77 9.288 -1.547 -2.148 576 HG22 VAL 77 1HG2 VAL 77 10.947 -2.132 -1.966 577 HG23 VAL 77 2HG2 VAL 77 10.404 -0.694 -1.070 578 H VAL 78 H VAL 78 13.233 -0.757 -0.907 579 HA VAL 78 HA VAL 78 15.479 -2.065 -2.341 580 HB VAL 78 HB VAL 78 15.119 -1.477 0.617 581 HG11 VAL 78 1HG1 VAL 78 16.732 -3.304 0.293 582 HG12 VAL 78 2HG1 VAL 78 17.579 -2.364 -0.956 583 HG13 VAL 78 3HG1 VAL 78 17.581 -1.826 0.737 584 HG21 VAL 78 3HG2 VAL 78 16.785 0.330 0.213 585 HG22 VAL 78 1HG2 VAL 78 16.709 -0.003 -1.531 586 HG23 VAL 78 2HG2 VAL 78 15.287 0.617 -0.669 587 H SER 79 H SER 79 12.855 -2.962 -0.099 588 HA SER 79 HA SER 79 13.263 -5.828 -0.729 589 HB2 SER 79 2HB SER 79 14.559 -5.231 1.370 590 HB3 SER 79 3HB SER 79 13.003 -4.856 2.137 591 HG SER 79 HG SER 79 13.740 -7.045 2.477 592 H ILE 80 H ILE 80 11.422 -7.144 0.281 593 HA ILE 80 HA ILE 80 8.866 -5.649 0.185 594 HB ILE 80 HB ILE 80 7.851 -7.396 -1.217 595 HG12 ILE 80 2HG1 ILE 80 10.706 -8.282 -1.828 596 HG13 ILE 80 3HG1 ILE 80 9.542 -9.202 -0.876 597 HG21 ILE 80 1HG2 ILE 80 8.679 -5.144 -2.034 598 HG22 ILE 80 2HG2 ILE 80 10.123 -5.970 -2.644 599 HG23 ILE 80 3HG2 ILE 80 8.512 -6.387 -3.272 600 HD11 ILE 80 3HD1 ILE 80 8.026 -9.305 -2.857 601 HD12 ILE 80 1HD1 ILE 80 9.287 -8.506 -3.828 602 HD13 ILE 80 2HD1 ILE 80 9.593 -10.095 -3.112 603 HA PRO 81 HA PRO 81 6.640 -6.054 0.396 604 HB2 PRO 81 2HB PRO 81 4.810 -5.721 2.361 605 HB3 PRO 81 3HB PRO 81 4.862 -7.200 1.354 606 HG2 PRO 81 2HG PRO 81 6.049 -6.764 4.115 607 HG3 PRO 81 3HG PRO 81 5.014 -8.117 3.564 608 HD2 PRO 81 2HD PRO 81 7.747 -8.306 3.624 609 HD3 PRO 81 3HD PRO 81 6.777 -9.091 2.345 610 H THR 82 H THR 82 6.654 -3.834 0.458 611 HA THR 82 HA THR 82 7.556 -2.431 2.949 612 HB THR 82 HB THR 82 8.367 -1.799 0.100 613 HG1 THR 82 HG1 THR 82 9.938 -2.930 0.975 614 HG21 THR 82 3HG2 THR 82 7.713 0.350 1.089 615 HG22 THR 82 1HG2 THR 82 9.472 0.222 1.052 616 HG23 THR 82 2HG2 THR 82 8.599 -0.041 2.584 617 H LEU 83 H LEU 83 5.970 -1.263 3.743 618 HA LEU 83 HA LEU 83 3.699 -0.506 1.964 619 HB2 LEU 83 2HB LEU 83 3.637 -1.030 4.954 620 HB3 LEU 83 3HB LEU 83 2.326 -0.459 3.948 621 HG LEU 83 HG LEU 83 2.689 -2.649 2.577 622 HD11 LEU 83 1HD1 LEU 83 3.387 -4.576 4.017 623 HD12 LEU 83 2HD1 LEU 83 3.939 -3.435 5.261 624 HD13 LEU 83 3HD1 LEU 83 4.738 -3.505 3.677 625 HD21 LEU 83 3HD2 LEU 83 1.134 -3.849 4.040 626 HD22 LEU 83 1HD2 LEU 83 0.692 -2.143 3.931 627 HD23 LEU 83 2HD2 LEU 83 1.526 -2.752 5.381 628 H ILE 84 H ILE 84 3.277 1.573 1.646 629 HA ILE 84 HA ILE 84 4.545 3.611 3.405 630 HB ILE 84 HB ILE 84 5.913 3.134 1.438 631 HG12 ILE 84 2HG1 ILE 84 5.958 5.325 2.604 632 HG13 ILE 84 3HG1 ILE 84 6.597 5.274 0.979 633 HG21 ILE 84 1HG2 ILE 84 5.297 3.916 -0.799 634 HG22 ILE 84 2HG2 ILE 84 4.280 2.580 -0.240 635 HG23 ILE 84 3HG2 ILE 84 3.644 4.233 -0.235 636 HD11 ILE 84 3HD1 ILE 84 5.351 7.341 1.445 637 HD12 ILE 84 1HD1 ILE 84 4.671 6.440 0.085 638 HD13 ILE 84 2HD1 ILE 84 3.859 6.422 1.666 639 H LEU 85 H LEU 85 3.290 5.154 4.075 640 HA LEU 85 HA LEU 85 0.459 5.178 3.139 641 HB2 LEU 85 2HB LEU 85 0.804 4.394 5.396 642 HB3 LEU 85 3HB LEU 85 1.745 5.824 5.797 643 HG LEU 85 HG LEU 85 -0.218 7.255 5.644 644 HD11 LEU 85 1HD1 LEU 85 -2.481 6.335 5.357 645 HD12 LEU 85 2HD1 LEU 85 -1.811 4.735 4.990 646 HD13 LEU 85 3HD1 LEU 85 -1.538 6.105 3.890 647 HD21 LEU 85 3HD2 LEU 85 -1.432 6.373 7.566 648 HD22 LEU 85 1HD2 LEU 85 0.292 6.017 7.757 649 HD23 LEU 85 2HD2 LEU 85 -0.821 4.732 7.253 650 H PHE 86 H PHE 86 -0.177 6.765 1.983 651 HA PHE 86 HA PHE 86 1.034 9.466 2.128 652 HB2 PHE 86 2HB PHE 86 -0.927 8.250 0.144 653 HB3 PHE 86 3HB PHE 86 -0.312 9.888 0.079 654 HD1 PHE 86 HD1 PHE 86 0.666 6.295 -0.229 655 HD2 PHE 86 HD2 PHE 86 1.780 10.395 -0.966 656 HE1 PHE 86 HE1 PHE 86 2.513 5.535 -1.694 657 HE2 PHE 86 HE2 PHE 86 3.657 9.626 -2.394 658 HZ PHE 86 HZ PHE 86 4.026 7.192 -2.758 659 H LYS 87 H LYS 87 -0.301 11.287 2.399 660 HA LYS 87 HA LYS 87 -3.103 10.906 3.388 661 HB2 LYS 87 2HB LYS 87 -1.561 11.189 5.275 662 HB3 LYS 87 3HB LYS 87 -0.908 12.661 4.560 663 HG2 LYS 87 2HG LYS 87 -2.440 13.106 6.418 664 HG3 LYS 87 3HG LYS 87 -3.007 13.831 4.904 665 HD2 LYS 87 2HD LYS 87 -4.688 12.054 4.647 666 HD3 LYS 87 3HD LYS 87 -3.992 11.173 6.014 667 HE2 LYS 87 2HE LYS 87 -6.058 12.312 6.654 668 HE3 LYS 87 3HE LYS 87 -4.680 12.927 7.572 669 HZ1 LYS 87 3HZ LYS 87 -4.667 14.892 6.219 670 HZ2 LYS 87 1HZ LYS 87 -6.232 14.669 6.628 671 HZ3 LYS 87 2HZ LYS 87 -5.699 14.277 5.120 672 H ASP 88 H ASP 88 -4.323 11.746 1.793 673 HA ASP 88 HA ASP 88 -5.041 13.026 0.087 674 HB2 ASP 88 2HB ASP 88 -3.875 15.310 1.718 675 HB3 ASP 88 3HB ASP 88 -5.014 15.477 0.385 676 H GLY 89 H GLY 89 -2.701 11.712 -0.472 677 HA2 GLY 89 2HA GLY 89 -1.333 11.495 -2.264 678 HA3 GLY 89 3HA GLY 89 -1.765 13.112 -2.812 679 H GLN 90 H GLN 90 -0.444 13.149 0.397 680 HA GLN 90 HA GLN 90 2.314 13.499 -0.683 681 HB2 GLN 90 2HB GLN 90 2.814 15.173 0.829 682 HB3 GLN 90 3HB GLN 90 1.211 15.566 0.233 683 HG2 GLN 90 2HG GLN 90 0.589 14.125 2.518 684 HG3 GLN 90 3HG GLN 90 2.125 14.831 2.982 685 HE21 GLN 90 2HE2 GLN 90 -1.251 15.401 2.319 686 HE22 GLN 90 1HE2 GLN 90 -1.247 17.126 2.713 687 HA PRO 91 HA PRO 91 3.201 9.895 1.751 688 HB2 PRO 91 2HB PRO 91 5.928 9.858 1.787 689 HB3 PRO 91 3HB PRO 91 4.963 9.542 0.311 690 HG2 PRO 91 2HG PRO 91 6.265 12.150 1.157 691 HG3 PRO 91 3HG PRO 91 6.344 11.339 -0.439 692 HD2 PRO 91 2HD PRO 91 4.581 13.360 0.079 693 HD3 PRO 91 3HD PRO 91 4.143 11.984 -0.980 694 H VAL 92 H VAL 92 3.315 9.406 3.889 695 HA VAL 92 HA VAL 92 4.361 11.473 5.805 696 HB VAL 92 HB VAL 92 2.142 9.477 6.378 697 HG11 VAL 92 1HG1 VAL 92 3.257 10.333 8.388 698 HG12 VAL 92 2HG1 VAL 92 3.098 12.003 7.797 699 HG13 VAL 92 3HG1 VAL 92 1.660 11.066 8.238 700 HG21 VAL 92 3HG2 VAL 92 1.934 12.394 5.500 701 HG22 VAL 92 1HG2 VAL 92 1.288 10.975 4.643 702 HG23 VAL 92 2HG2 VAL 92 0.608 11.443 6.204 703 H LYS 93 H LYS 93 4.076 7.968 5.239 704 HA LYS 93 HA LYS 93 6.232 7.378 7.228 705 HB2 LYS 93 2HB LYS 93 4.140 7.455 8.470 706 HB3 LYS 93 3HB LYS 93 3.326 6.471 7.258 707 HG2 LYS 93 2HG LYS 93 4.874 4.551 7.868 708 HG3 LYS 93 3HG LYS 93 5.475 5.538 9.206 709 HD2 LYS 93 2HD LYS 93 2.563 4.744 8.707 710 HD3 LYS 93 3HD LYS 93 3.651 3.893 9.796 711 HE2 LYS 93 2HE LYS 93 2.985 6.854 10.132 712 HE3 LYS 93 3HE LYS 93 2.000 5.569 10.829 713 HZ1 LYS 93 3HZ LYS 93 3.665 6.386 12.389 714 HZ2 LYS 93 1HZ LYS 93 4.887 5.899 11.410 715 HZ3 LYS 93 2HZ LYS 93 3.869 4.772 12.053 716 H ARG 94 H ARG 94 7.394 5.567 6.774 717 HA ARG 94 HA ARG 94 6.347 3.566 4.829 718 HB2 ARG 94 2HB ARG 94 8.034 5.074 3.722 719 HB3 ARG 94 3HB ARG 94 9.234 4.523 4.893 720 HG2 ARG 94 2HG ARG 94 8.968 2.186 4.064 721 HG3 ARG 94 3HG ARG 94 7.702 2.723 2.955 722 HD2 ARG 94 2HD ARG 94 9.741 2.505 1.687 723 HD3 ARG 94 3HD ARG 94 9.356 4.213 1.822 724 HE ARG 94 HE ARG 94 11.271 4.570 3.081 725 HH11 ARG 94 1HH1 ARG 94 10.865 1.084 2.873 726 HH12 ARG 94 2HH1 ARG 94 12.435 0.785 3.563 727 HH21 ARG 94 1HH2 ARG 94 13.244 4.097 3.955 728 HH22 ARG 94 2HH2 ARG 94 13.738 2.444 4.155 729 H ILE 95 H ILE 95 6.568 1.521 5.384 730 HA ILE 95 HA ILE 95 8.444 0.676 7.529 731 HB ILE 95 HB ILE 95 6.596 -1.085 8.052 732 HG12 ILE 95 2HG1 ILE 95 4.979 -0.134 6.350 733 HG13 ILE 95 3HG1 ILE 95 4.378 -0.619 7.923 734 HG21 ILE 95 1HG2 ILE 95 5.883 0.230 9.981 735 HG22 ILE 95 2HG2 ILE 95 7.626 0.276 9.679 736 HG23 ILE 95 3HG2 ILE 95 6.622 1.681 9.248 737 HD11 ILE 95 3HD1 ILE 95 3.274 1.411 7.181 738 HD12 ILE 95 1HD1 ILE 95 4.216 1.731 8.643 739 HD13 ILE 95 2HD1 ILE 95 4.812 2.267 7.055 740 H VAL 96 H VAL 96 9.168 -1.444 7.431 741 HA VAL 96 HA VAL 96 8.644 -2.924 4.895 742 HB VAL 96 HB VAL 96 10.863 -1.901 4.884 743 HG11 VAL 96 1HG1 VAL 96 11.409 -1.944 7.294 744 HG12 VAL 96 2HG1 VAL 96 11.522 -3.717 7.241 745 HG13 VAL 96 3HG1 VAL 96 12.664 -2.720 6.320 746 HG21 VAL 96 3HG2 VAL 96 11.039 -4.932 5.065 747 HG22 VAL 96 1HG2 VAL 96 10.430 -4.015 3.664 748 HG23 VAL 96 2HG2 VAL 96 12.111 -3.833 4.182 749 H GLY 97 H GLY 97 8.390 -5.067 4.989 750 HA2 GLY 97 2HA GLY 97 8.270 -7.243 5.854 751 HA3 GLY 97 3HA GLY 97 8.663 -6.656 7.469 752 H ALA 98 H ALA 98 6.718 -8.502 7.264 753 HA ALA 98 HA ALA 98 4.124 -7.582 6.636 754 HB1 ALA 98 3HB ALA 98 4.764 -9.936 6.597 755 HB2 ALA 98 1HB ALA 98 5.006 -9.931 8.360 756 HB3 ALA 98 2HB ALA 98 3.383 -9.708 7.678 757 H LYS 99 H LYS 99 2.255 -7.343 7.967 758 HA LYS 99 HA LYS 99 2.512 -6.837 10.863 759 HB2 LYS 99 2HB LYS 99 1.374 -4.801 8.879 760 HB3 LYS 99 3HB LYS 99 0.888 -4.852 10.560 761 HG2 LYS 99 2HG LYS 99 2.551 -3.416 10.934 762 HG3 LYS 99 3HG LYS 99 3.573 -4.843 10.938 763 HD2 LYS 99 2HD LYS 99 3.785 -4.354 8.323 764 HD3 LYS 99 3HD LYS 99 3.124 -2.778 8.761 765 HE2 LYS 99 2HE LYS 99 5.412 -2.395 8.901 766 HE3 LYS 99 3HE LYS 99 4.997 -2.724 10.587 767 HZ1 LYS 99 3HZ LYS 99 6.962 -3.995 9.920 768 HZ2 LYS 99 1HZ LYS 99 6.174 -4.633 8.635 769 HZ3 LYS 99 2HZ LYS 99 5.731 -5.072 10.139 770 H GLY 100 H GLY 100 0.484 -6.944 11.980 771 HA2 GLY 100 2HA GLY 100 -1.677 -8.518 10.674 772 HA3 GLY 100 3HA GLY 100 -1.511 -8.183 12.397 773 H LYS 101 H LYS 101 -3.926 -7.697 11.241 774 HA LYS 101 HA LYS 101 -4.414 -5.131 10.131 775 HB2 LYS 101 2HB LYS 101 -6.163 -6.778 12.018 776 HB3 LYS 101 3HB LYS 101 -6.709 -5.383 11.084 777 HG2 LYS 101 2HG LYS 101 -5.952 -6.675 8.993 778 HG3 LYS 101 3HG LYS 101 -5.871 -8.098 10.047 779 HD2 LYS 101 2HD LYS 101 -8.274 -6.365 9.377 780 HD3 LYS 101 3HD LYS 101 -7.985 -8.054 8.926 781 HE2 LYS 101 2HE LYS 101 -8.210 -8.759 11.267 782 HE3 LYS 101 3HE LYS 101 -8.431 -7.075 11.776 783 HZ1 LYS 101 3HZ LYS 101 -10.235 -8.517 9.910 784 HZ2 LYS 101 1HZ LYS 101 -10.448 -6.977 10.429 785 HZ3 LYS 101 2HZ LYS 101 -10.567 -8.222 11.493 786 H ALA 102 H ALA 102 -4.067 -6.002 13.531 787 HA ALA 102 HA ALA 102 -4.985 -3.485 14.583 788 HB1 ALA 102 3HB ALA 102 -3.145 -5.585 15.821 789 HB2 ALA 102 1HB ALA 102 -3.976 -4.278 16.692 790 HB3 ALA 102 2HB ALA 102 -4.921 -5.558 15.908 791 H ALA 103 H ALA 103 -1.665 -4.695 13.911 792 HA ALA 103 HA ALA 103 -0.320 -2.300 14.727 793 HB1 ALA 103 3HB ALA 103 1.608 -3.312 13.537 794 HB2 ALA 103 1HB ALA 103 0.796 -4.473 14.604 795 HB3 ALA 103 2HB ALA 103 0.530 -4.546 12.849 796 H LEU 104 H LEU 104 -1.349 -3.431 11.445 797 HA LEU 104 HA LEU 104 -0.344 -1.146 10.052 798 HB2 LEU 104 2HB LEU 104 -1.003 -3.415 9.119 799 HB3 LEU 104 3HB LEU 104 -2.686 -2.932 9.300 800 HG LEU 104 HG LEU 104 -2.276 -1.019 7.721 801 HD11 LEU 104 1HD1 LEU 104 -0.161 -1.168 6.325 802 HD12 LEU 104 2HD1 LEU 104 0.487 -2.305 7.522 803 HD13 LEU 104 3HD1 LEU 104 0.112 -0.626 7.980 804 HD21 LEU 104 3HD2 LEU 104 -3.135 -3.186 6.896 805 HD22 LEU 104 1HD2 LEU 104 -1.464 -3.746 6.635 806 HD23 LEU 104 2HD2 LEU 104 -2.114 -2.387 5.692 807 H LEU 105 H LEU 105 -3.592 -1.751 11.488 808 HA LEU 105 HA LEU 105 -4.660 0.779 10.673 809 HB2 LEU 105 2HB LEU 105 -5.992 -1.224 11.281 810 HB3 LEU 105 3HB LEU 105 -5.521 -0.997 12.966 811 HG LEU 105 HG LEU 105 -6.699 1.154 13.038 812 HD11 LEU 105 1HD1 LEU 105 -8.223 1.807 11.155 813 HD12 LEU 105 2HD1 LEU 105 -7.450 0.572 10.137 814 HD13 LEU 105 3HD1 LEU 105 -6.519 1.965 10.739 815 HD21 LEU 105 3HD2 LEU 105 -7.924 -0.918 13.564 816 HD22 LEU 105 1HD2 LEU 105 -8.408 -1.074 11.862 817 HD23 LEU 105 2HD2 LEU 105 -8.995 0.291 12.836 818 H ARG 106 H ARG 106 -2.740 -0.173 13.555 819 HA ARG 106 HA ARG 106 -3.035 2.408 14.832 820 HB2 ARG 106 2HB ARG 106 -2.312 0.166 15.861 821 HB3 ARG 106 3HB ARG 106 -0.700 0.526 15.265 822 HG2 ARG 106 2HG ARG 106 -1.867 2.830 16.715 823 HG3 ARG 106 3HG ARG 106 -1.995 1.360 17.664 824 HD2 ARG 106 2HD ARG 106 0.017 2.367 18.325 825 HD3 ARG 106 3HD ARG 106 0.483 0.985 17.345 826 HE ARG 106 HE ARG 106 0.550 3.882 16.554 827 HH11 ARG 106 1HH2 ARG 106 1.699 0.635 15.832 828 HH12 ARG 106 2HH2 ARG 106 2.781 1.227 14.584 829 HH21 ARG 106 1HH1 ARG 106 2.007 4.524 15.037 830 HH22 ARG 106 2HH1 ARG 106 2.859 3.328 14.080 831 H GLU 107 H GLU 107 -0.625 1.149 12.495 832 HA GLU 107 HA GLU 107 0.912 3.593 12.335 833 HB2 GLU 107 2HB GLU 107 0.348 1.564 10.130 834 HB3 GLU 107 3HB GLU 107 1.544 2.830 10.062 835 HG2 GLU 107 2HG GLU 107 1.585 0.407 11.808 836 HG3 GLU 107 3HG GLU 107 2.629 0.750 10.456 837 H LEU 108 H LEU 108 -2.113 2.609 10.683 838 HA LEU 108 HA LEU 108 -2.447 5.117 9.299 839 HB2 LEU 108 2HB LEU 108 -3.990 2.660 9.858 840 HB3 LEU 108 3HB LEU 108 -5.023 4.065 9.822 841 HG LEU 108 HG LEU 108 -3.041 3.389 7.605 842 HD11 LEU 108 1HD1 LEU 108 -6.012 2.738 7.834 843 HD12 LEU 108 2HD1 LEU 108 -4.670 1.575 7.843 844 HD13 LEU 108 3HD1 LEU 108 -5.014 2.507 6.379 845 HD21 LEU 108 3HD2 LEU 108 -4.445 4.901 6.252 846 HD22 LEU 108 1HD2 LEU 108 -3.796 5.765 7.651 847 HD23 LEU 108 2HD2 LEU 108 -5.482 5.223 7.662 848 H SER 109 H SER 109 -3.409 4.086 12.554 849 HA SER 109 HA SER 109 -4.911 6.430 13.186 850 HB2 SER 109 2HB SER 109 -3.516 4.517 15.083 851 HB3 SER 109 3HB SER 109 -4.736 5.716 15.518 852 HG SER 109 HG SER 109 -5.088 3.522 13.732 853 H ASP 110 H ASP 110 -1.481 5.796 13.182 854 HA ASP 110 HA ASP 110 -0.672 8.117 14.654 855 HB2 ASP 110 2HB ASP 110 0.677 6.028 13.909 856 HB3 ASP 110 3HB ASP 110 0.857 6.860 12.362 857 H VAL 111 H VAL 111 -2.273 7.958 11.659 858 HA VAL 111 HA VAL 111 -1.283 10.637 10.738 859 HB VAL 111 HB VAL 111 -2.253 8.269 9.100 860 HG11 VAL 111 1HG1 VAL 111 -1.502 9.584 7.139 861 HG12 VAL 111 2HG1 VAL 111 -2.830 10.384 7.977 862 HG13 VAL 111 3HG1 VAL 111 -1.168 10.976 8.197 863 HG21 VAL 111 3HG2 VAL 111 0.514 9.464 9.571 864 HG22 VAL 111 1HG2 VAL 111 -0.019 7.801 9.893 865 HG23 VAL 111 2HG2 VAL 111 0.152 8.366 8.227 866 H VAL 112 H VAL 112 -4.183 8.563 11.042 867 HA VAL 112 HA VAL 112 -5.871 11.026 11.024 868 HB VAL 112 HB VAL 112 -7.732 9.533 10.119 869 HG11 VAL 112 1HG1 VAL 112 -6.617 11.342 8.862 870 HG12 VAL 112 2HG1 VAL 112 -5.418 10.171 8.264 871 HG13 VAL 112 3HG1 VAL 112 -7.142 10.005 7.835 872 HG21 VAL 112 3HG2 VAL 112 -5.442 7.812 9.093 873 HG22 VAL 112 1HG2 VAL 112 -6.570 7.328 10.378 874 HG23 VAL 112 2HG2 VAL 112 -7.171 7.643 8.743 875 HA PRO 113 HA PRO 113 -7.095 9.836 14.948 876 HB2 PRO 113 2HB PRO 113 -9.390 11.226 15.425 877 HB3 PRO 113 3HB PRO 113 -7.843 12.011 15.016 878 HG2 PRO 113 2HG PRO 113 -10.090 11.275 13.102 879 HG3 PRO 113 3HG PRO 113 -9.322 12.883 13.330 880 HD2 PRO 113 2HD PRO 113 -8.500 11.200 11.375 881 HD3 PRO 113 3HD PRO 113 -7.323 12.183 12.295 882 H ASN 114 H ASN 114 -7.709 7.620 13.269 883 HA ASN 114 HA ASN 114 -10.284 6.444 13.676 884 HB2 ASN 114 2HB ASN 114 -8.816 5.499 12.051 885 HB3 ASN 114 3HB ASN 114 -7.480 5.372 13.190 886 HD21 ASN 114 1HD2 ASN 114 -7.274 3.542 14.467 887 HD22 ASN 114 2HD2 ASN 114 -8.428 2.213 14.416 888 H LEU 115 H LEU 115 -7.495 6.656 15.835 889 HA LEU 115 HA LEU 115 -8.509 4.784 17.785 890 HB2 LEU 115 2HB LEU 115 -6.543 5.150 18.950 891 HB3 LEU 115 3HB LEU 115 -6.093 5.247 17.264 892 HG LEU 115 HG LEU 115 -6.398 7.556 19.243 893 HD11 LEU 115 1HD1 LEU 115 -3.972 6.470 17.760 894 HD12 LEU 115 2HD1 LEU 115 -4.365 6.173 19.467 895 HD13 LEU 115 3HD1 LEU 115 -3.989 7.814 18.923 896 HD21 LEU 115 3HD2 LEU 115 -7.076 8.461 17.085 897 HD22 LEU 115 1HD2 LEU 115 -5.655 7.725 16.289 898 HD23 LEU 115 2HD2 LEU 115 -5.458 9.027 17.475 899 H ASN 116 H ASN 116 -9.685 7.815 17.164 900 HA ASN 116 HA ASN 116 -10.276 8.473 20.022 901 HB2 ASN 116 2HB ASN 116 -8.890 10.112 18.769 902 HB3 ASN 116 3HB ASN 116 -10.184 10.295 17.586 903 HD21 ASN 116 2HD2 ASN 116 -12.376 10.857 18.645 904 HD22 ASN 116 1HD2 ASN 116 -12.300 12.163 19.848 Start of MODEL 12 1 H1 MET 1 1H MET 1 -24.263 3.125 -5.560 2 HA MET 1 HA MET 1 -25.102 0.893 -7.284 3 HB2 MET 1 2HB MET 1 -22.788 1.756 -7.735 4 HB3 MET 1 3HB MET 1 -22.350 1.383 -6.064 5 HG2 MET 1 2HG MET 1 -22.839 -1.003 -6.467 6 HG3 MET 1 3HG MET 1 -23.341 -0.642 -8.118 7 HE1 MET 1 3HE MET 1 -21.754 -0.175 -10.106 8 HE2 MET 1 1HE MET 1 -21.151 1.309 -9.329 9 HE3 MET 1 2HE MET 1 -20.007 0.110 -9.963 10 H THR 2 H THR 2 -25.431 -1.113 -6.263 11 HA THR 2 HA THR 2 -26.205 -1.027 -3.460 12 HB THR 2 HB THR 2 -26.700 -3.485 -3.887 13 HG1 THR 2 HG1 THR 2 -26.695 -4.118 -6.042 14 HG21 THR 2 3HG2 THR 2 -28.429 -1.721 -4.097 15 HG22 THR 2 1HG2 THR 2 -28.670 -3.026 -5.270 16 HG23 THR 2 2HG2 THR 2 -27.977 -1.477 -5.799 17 H ASP 3 H ASP 3 -25.509 -2.509 -1.825 18 HA ASP 3 HA ASP 3 -22.616 -2.734 -1.602 19 HB2 ASP 3 2HB ASP 3 -24.874 -3.689 0.197 20 HB3 ASP 3 3HB ASP 3 -23.162 -3.768 0.602 21 H SER 4 H SER 4 -21.410 -4.652 -1.196 22 HA SER 4 HA SER 4 -22.551 -7.284 -1.831 23 HB2 SER 4 2HB SER 4 -21.028 -7.806 -3.617 24 HB3 SER 4 3HB SER 4 -21.916 -6.348 -4.064 25 HG SER 4 HG SER 4 -20.113 -5.114 -3.537 26 H GLU 5 H GLU 5 -20.852 -9.027 -1.624 27 HA GLU 5 HA GLU 5 -19.242 -8.594 0.803 28 HB2 GLU 5 2HB GLU 5 -19.812 -11.090 -0.833 29 HB3 GLU 5 3HB GLU 5 -18.930 -11.049 0.695 30 HG2 GLU 5 2HG GLU 5 -20.912 -10.115 1.805 31 HG3 GLU 5 3HG GLU 5 -21.814 -10.271 0.300 32 H LYS 6 H LYS 6 -18.506 -7.787 -2.243 33 HA LYS 6 HA LYS 6 -16.010 -9.151 -2.763 34 HB2 LYS 6 2HB LYS 6 -17.159 -6.560 -3.884 35 HB3 LYS 6 3HB LYS 6 -15.725 -7.386 -4.503 36 HG2 LYS 6 2HG LYS 6 -17.073 -9.377 -5.078 37 HG3 LYS 6 3HG LYS 6 -18.513 -8.627 -4.392 38 HD2 LYS 6 2HD LYS 6 -18.613 -8.404 -6.790 39 HD3 LYS 6 3HD LYS 6 -18.427 -6.821 -6.049 40 HE2 LYS 6 2HE LYS 6 -17.051 -6.872 -8.002 41 HE3 LYS 6 3HE LYS 6 -15.983 -6.859 -6.601 42 HZ1 LYS 6 3HZ LYS 6 -15.692 -9.275 -6.904 43 HZ2 LYS 6 1HZ LYS 6 -15.283 -8.489 -8.273 44 HZ3 LYS 6 2HZ LYS 6 -16.707 -9.275 -8.185 45 H SER 7 H SER 7 -13.906 -8.457 -2.622 46 HA SER 7 HA SER 7 -13.129 -6.953 -0.330 47 HB2 SER 7 2HB SER 7 -11.444 -7.744 -2.738 48 HB3 SER 7 3HB SER 7 -10.851 -7.265 -1.137 49 HG SER 7 HG SER 7 -10.883 -9.438 -1.082 50 H ALA 8 H ALA 8 -12.154 -4.959 -0.072 51 HA ALA 8 HA ALA 8 -12.970 -2.960 -2.089 52 HB1 ALA 8 3HB ALA 8 -12.350 -2.717 0.864 53 HB2 ALA 8 1HB ALA 8 -13.058 -1.452 -0.164 54 HB3 ALA 8 2HB ALA 8 -13.963 -2.941 0.154 55 H THR 9 H THR 9 -10.263 -4.363 -2.291 56 HA THR 9 HA THR 9 -8.426 -2.021 -2.038 57 HB THR 9 HB THR 9 -6.590 -3.455 -2.464 58 HG1 THR 9 HG1 THR 9 -8.353 -5.652 -2.682 59 HG21 THR 9 3HG2 THR 9 -6.750 -5.191 -0.673 60 HG22 THR 9 1HG2 THR 9 -8.445 -4.730 -0.427 61 HG23 THR 9 2HG2 THR 9 -7.140 -3.546 -0.162 62 H ILE 10 H ILE 10 -7.018 -1.456 -3.802 63 HA ILE 10 HA ILE 10 -7.999 -2.192 -6.540 64 HB ILE 10 HB ILE 10 -7.430 -0.008 -7.361 65 HG12 ILE 10 2HG1 ILE 10 -6.781 0.801 -4.494 66 HG13 ILE 10 3HG1 ILE 10 -5.607 0.549 -5.793 67 HG21 ILE 10 1HG2 ILE 10 -9.307 1.208 -6.478 68 HG22 ILE 10 2HG2 ILE 10 -9.720 -0.508 -6.463 69 HG23 ILE 10 3HG2 ILE 10 -9.260 0.305 -4.951 70 HD11 ILE 10 3HD1 ILE 10 -7.728 2.722 -5.688 71 HD12 ILE 10 1HD1 ILE 10 -5.974 2.911 -5.564 72 HD13 ILE 10 2HD1 ILE 10 -6.693 2.382 -7.098 73 H LYS 11 H LYS 11 -6.216 -1.668 -8.226 74 HA LYS 11 HA LYS 11 -3.487 -2.345 -7.248 75 HB2 LYS 11 2HB LYS 11 -4.653 -4.384 -8.186 76 HB3 LYS 11 3HB LYS 11 -4.742 -3.554 -9.746 77 HG2 LYS 11 2HG LYS 11 -2.254 -3.398 -9.788 78 HG3 LYS 11 3HG LYS 11 -2.184 -4.181 -8.198 79 HD2 LYS 11 2HD LYS 11 -3.273 -6.212 -9.176 80 HD3 LYS 11 3HD LYS 11 -3.257 -5.425 -10.774 81 HE2 LYS 11 2HE LYS 11 -0.783 -5.215 -10.638 82 HE3 LYS 11 3HE LYS 11 -0.806 -5.970 -9.041 83 HZ1 LYS 11 3HZ LYS 11 -1.579 -7.296 -11.583 84 HZ2 LYS 11 1HZ LYS 11 -1.699 -7.994 -10.105 85 HZ3 LYS 11 2HZ LYS 11 -0.226 -7.591 -10.696 86 H VAL 12 H VAL 12 -1.857 -1.224 -8.250 87 HA VAL 12 HA VAL 12 -2.599 0.794 -10.327 88 HB VAL 12 HB VAL 12 -1.360 2.524 -9.116 89 HG11 VAL 12 1HG1 VAL 12 -3.815 2.362 -8.930 90 HG12 VAL 12 2HG1 VAL 12 -3.642 1.375 -7.464 91 HG13 VAL 12 3HG1 VAL 12 -3.071 3.053 -7.479 92 HG21 VAL 12 3HG2 VAL 12 0.089 1.105 -7.675 93 HG22 VAL 12 1HG2 VAL 12 -0.807 2.320 -6.753 94 HG23 VAL 12 2HG2 VAL 12 -1.337 0.629 -6.730 95 H THR 13 H THR 13 -0.894 1.841 -11.334 96 HA THR 13 HA THR 13 1.765 0.482 -11.523 97 HB THR 13 HB THR 13 1.776 0.973 -13.920 98 HG1 THR 13 HG1 THR 13 -0.171 1.640 -14.914 99 HG21 THR 13 3HG2 THR 13 0.866 -1.239 -13.202 100 HG22 THR 13 1HG2 THR 13 0.211 -0.673 -14.749 101 HG23 THR 13 2HG2 THR 13 -0.776 -0.559 -13.276 102 H ASP 14 H ASP 14 3.405 1.900 -12.438 103 HA ASP 14 HA ASP 14 3.618 4.293 -11.002 104 HB2 ASP 14 2HB ASP 14 5.672 4.498 -12.002 105 HB3 ASP 14 3HB ASP 14 5.385 2.779 -12.057 106 H ALA 15 H ALA 15 2.121 3.836 -14.144 107 HA ALA 15 HA ALA 15 1.956 6.704 -14.757 108 HB1 ALA 15 3HB ALA 15 2.222 5.034 -16.542 109 HB2 ALA 15 1HB ALA 15 0.688 4.264 -16.070 110 HB3 ALA 15 2HB ALA 15 0.694 5.919 -16.717 111 H SER 16 H SER 16 -0.287 4.164 -13.536 112 HA SER 16 HA SER 16 -2.554 6.015 -13.442 113 HB2 SER 16 2HB SER 16 -3.785 4.117 -12.473 114 HB3 SER 16 3HB SER 16 -3.031 3.750 -14.029 115 HG SER 16 HG SER 16 -1.544 2.510 -13.069 116 H PHE 17 H PHE 17 -0.048 5.140 -11.224 117 HA PHE 17 HA PHE 17 -1.033 5.516 -8.691 118 HB2 PHE 17 2HB PHE 17 1.246 4.917 -9.191 119 HB3 PHE 17 3HB PHE 17 1.537 6.426 -10.040 120 HD1 PHE 17 HD1 PHE 17 0.994 4.894 -6.690 121 HD2 PHE 17 HD2 PHE 17 2.277 8.382 -8.880 122 HE1 PHE 17 HE1 PHE 17 1.912 5.876 -4.600 123 HE2 PHE 17 HE2 PHE 17 3.216 9.344 -6.791 124 HZ PHE 17 HZ PHE 17 2.995 8.114 -4.650 125 H ALA 18 H ALA 18 -0.245 8.184 -10.993 126 HA ALA 18 HA ALA 18 -0.835 10.242 -9.107 127 HB1 ALA 18 3HB ALA 18 0.594 10.591 -11.058 128 HB2 ALA 18 1HB ALA 18 -0.791 10.323 -12.148 129 HB3 ALA 18 2HB ALA 18 -0.761 11.734 -11.066 130 H THR 19 H THR 19 -2.924 8.409 -11.264 131 HA THR 19 HA THR 19 -5.244 10.201 -10.857 132 HB THR 19 HB THR 19 -5.167 7.577 -12.386 133 HG1 THR 19 HG1 THR 19 -4.617 8.804 -14.201 134 HG21 THR 19 3HG2 THR 19 -6.829 10.118 -12.717 135 HG22 THR 19 1HG2 THR 19 -7.418 8.526 -12.190 136 HG23 THR 19 2HG2 THR 19 -6.846 8.741 -13.842 137 H ASP 20 H ASP 20 -4.017 7.222 -9.526 138 HA ASP 20 HA ASP 20 -6.640 6.678 -8.188 139 HB2 ASP 20 2HB ASP 20 -4.372 4.894 -9.078 140 HB3 ASP 20 3HB ASP 20 -5.552 4.370 -7.886 141 H VAL 21 H VAL 21 -3.275 7.413 -7.389 142 HA VAL 21 HA VAL 21 -3.884 6.960 -4.486 143 HB VAL 21 HB VAL 21 -1.160 7.175 -5.809 144 HG11 VAL 21 1HG1 VAL 21 -0.297 6.392 -3.664 145 HG12 VAL 21 2HG1 VAL 21 -1.133 7.927 -3.460 146 HG13 VAL 21 3HG1 VAL 21 -1.923 6.413 -2.971 147 HG21 VAL 21 3HG2 VAL 21 -0.979 4.753 -5.291 148 HG22 VAL 21 1HG2 VAL 21 -2.676 4.739 -4.769 149 HG23 VAL 21 2HG2 VAL 21 -2.253 5.073 -6.463 150 H LEU 22 H LEU 22 -2.100 9.282 -6.606 151 HA LEU 22 HA LEU 22 -2.036 11.290 -4.524 152 HB2 LEU 22 2HB LEU 22 -1.624 11.716 -7.499 153 HB3 LEU 22 3HB LEU 22 -1.119 12.777 -6.196 154 HG LEU 22 HG LEU 22 0.016 10.033 -6.844 155 HD11 LEU 22 1HD1 LEU 22 2.058 11.312 -7.324 156 HD12 LEU 22 2HD1 LEU 22 1.236 12.823 -6.891 157 HD13 LEU 22 3HD1 LEU 22 0.716 11.899 -8.316 158 HD21 LEU 22 3HD2 LEU 22 1.684 10.501 -5.052 159 HD22 LEU 22 1HD2 LEU 22 0.059 10.291 -4.400 160 HD23 LEU 22 2HD2 LEU 22 0.747 11.926 -4.573 161 H SER 23 H SER 23 -4.530 10.434 -6.704 162 HA SER 23 HA SER 23 -5.864 12.971 -6.984 163 HB2 SER 23 2HB SER 23 -7.674 11.574 -7.901 164 HB3 SER 23 3HB SER 23 -6.091 11.166 -8.589 165 HG SER 23 HG SER 23 -7.120 9.277 -8.019 166 H SER 24 H SER 24 -5.762 10.708 -4.363 167 HA SER 24 HA SER 24 -8.495 10.681 -3.643 168 HB2 SER 24 2HB SER 24 -6.822 8.942 -3.090 169 HB3 SER 24 3HB SER 24 -6.136 10.033 -1.863 170 HG SER 24 HG SER 24 -7.701 8.608 -0.984 171 H ASN 25 H ASN 25 -9.647 11.467 -1.920 172 HA ASN 25 HA ASN 25 -8.804 14.056 -0.748 173 HB2 ASN 25 2HB ASN 25 -11.111 14.391 -0.208 174 HB3 ASN 25 3HB ASN 25 -10.993 13.911 -1.893 175 HD21 ASN 25 2HD2 ASN 25 -13.427 13.735 -1.004 176 HD22 ASN 25 1HD2 ASN 25 -13.877 12.087 -0.600 177 H LYS 26 H LYS 26 -8.366 10.925 0.073 178 HA LYS 26 HA LYS 26 -8.215 11.459 2.995 179 HB2 LYS 26 2HB LYS 26 -9.230 9.278 3.487 180 HB3 LYS 26 3HB LYS 26 -10.340 10.309 2.598 181 HG2 LYS 26 2HG LYS 26 -9.834 9.062 0.504 182 HG3 LYS 26 3HG LYS 26 -8.665 8.068 1.372 183 HD2 LYS 26 2HD LYS 26 -10.716 6.824 1.091 184 HD3 LYS 26 3HD LYS 26 -10.447 7.158 2.796 185 HE2 LYS 26 2HE LYS 26 -12.788 7.422 2.280 186 HE3 LYS 26 3HE LYS 26 -12.108 8.982 2.744 187 HZ1 LYS 26 3HZ LYS 26 -12.041 9.609 0.397 188 HZ2 LYS 26 1HZ LYS 26 -13.550 9.105 0.759 189 HZ3 LYS 26 2HZ LYS 26 -12.549 8.120 -0.070 190 HA PRO 27 HA PRO 27 -4.287 9.372 2.886 191 HB2 PRO 27 2HB PRO 27 -5.417 7.393 4.877 192 HB3 PRO 27 3HB PRO 27 -3.808 8.187 4.876 193 HG2 PRO 27 2HG PRO 27 -5.807 9.123 6.444 194 HG3 PRO 27 3HG PRO 27 -4.742 10.260 5.562 195 HD2 PRO 27 2HD PRO 27 -7.554 9.427 4.909 196 HD3 PRO 27 3HD PRO 27 -6.768 11.010 4.703 197 H VAL 28 H VAL 28 -3.212 7.630 1.885 198 HA VAL 28 HA VAL 28 -4.862 5.341 0.925 199 HB VAL 28 HB VAL 28 -3.009 6.861 -0.931 200 HG11 VAL 28 1HG1 VAL 28 -4.083 5.373 -2.658 201 HG12 VAL 28 2HG1 VAL 28 -3.131 4.469 -1.481 202 HG13 VAL 28 3HG1 VAL 28 -4.902 4.497 -1.357 203 HG21 VAL 28 3HG2 VAL 28 -5.081 7.434 -2.188 204 HG22 VAL 28 1HG2 VAL 28 -6.050 6.803 -0.834 205 HG23 VAL 28 2HG2 VAL 28 -4.995 8.215 -0.610 206 H LEU 29 H LEU 29 -3.944 3.462 1.318 207 HA LEU 29 HA LEU 29 -1.064 3.281 2.006 208 HB2 LEU 29 2HB LEU 29 -3.135 2.171 3.260 209 HB3 LEU 29 3HB LEU 29 -3.091 1.031 1.957 210 HG LEU 29 HG LEU 29 -2.009 0.145 3.892 211 HD11 LEU 29 1HD1 LEU 29 -0.009 -0.700 2.969 212 HD12 LEU 29 2HD1 LEU 29 0.271 0.741 1.996 213 HD13 LEU 29 3HD1 LEU 29 -1.057 -0.381 1.588 214 HD21 LEU 29 3HD2 LEU 29 0.004 2.432 3.732 215 HD22 LEU 29 1HD2 LEU 29 0.067 1.058 4.842 216 HD23 LEU 29 2HD2 LEU 29 -1.255 2.229 4.972 217 H VAL 30 H VAL 30 0.405 2.606 0.488 218 HA VAL 30 HA VAL 30 -0.543 0.908 -1.791 219 HB VAL 30 HB VAL 30 1.817 2.805 -1.860 220 HG11 VAL 30 1HG1 VAL 30 0.653 0.949 -3.987 221 HG12 VAL 30 2HG1 VAL 30 1.922 2.163 -4.261 222 HG13 VAL 30 3HG1 VAL 30 2.244 0.789 -3.206 223 HG21 VAL 30 3HG2 VAL 30 -0.326 4.029 -2.061 224 HG22 VAL 30 1HG2 VAL 30 0.554 4.002 -3.593 225 HG23 VAL 30 2HG2 VAL 30 -0.834 2.926 -3.355 226 H ASP 31 H ASP 31 0.203 -1.128 -1.691 227 HA ASP 31 HA ASP 31 2.701 -1.684 -0.132 228 HB2 ASP 31 2HB ASP 31 0.696 -2.911 0.586 229 HB3 ASP 31 3HB ASP 31 0.535 -3.595 -1.034 230 H PHE 32 H PHE 32 4.518 -2.056 -1.189 231 HA PHE 32 HA PHE 32 4.529 -2.605 -4.107 232 HB2 PHE 32 2HB PHE 32 6.849 -2.188 -2.192 233 HB3 PHE 32 3HB PHE 32 6.921 -2.224 -3.947 234 HD1 PHE 32 HD2 PHE 32 5.546 -0.388 -5.223 235 HD2 PHE 32 HD1 PHE 32 6.632 -0.115 -1.077 236 HE1 PHE 32 HE2 PHE 32 5.122 2.057 -5.281 237 HE2 PHE 32 HE1 PHE 32 6.289 2.333 -1.146 238 HZ PHE 32 HZ PHE 32 5.478 3.419 -3.230 239 H TRP 33 H TRP 33 4.359 -4.686 -4.751 240 HA TRP 33 HA TRP 33 5.624 -6.864 -3.200 241 HB2 TRP 33 2HB TRP 33 3.680 -7.984 -2.669 242 HB3 TRP 33 3HB TRP 33 3.389 -6.340 -2.168 243 HD1 TRP 33 HD1 TRP 33 2.572 -6.131 -5.685 244 HE1 TRP 33 HE1 TRP 33 0.169 -6.743 -6.227 245 HE3 TRP 33 HE3 TRP 33 1.251 -8.163 -1.180 246 HZ2 TRP 33 HZ2 TRP 33 -2.096 -7.954 -4.866 247 HZ3 TRP 33 HZ3 TRP 33 -1.060 -8.954 -0.801 248 HH2 TRP 33 HH2 TRP 33 -2.750 -8.847 -2.611 249 H ALA 34 H ALA 34 4.961 -9.078 -4.176 250 HA ALA 34 HA ALA 34 4.684 -8.987 -7.132 251 HB1 ALA 34 3HB ALA 34 6.398 -10.719 -7.356 252 HB2 ALA 34 1HB ALA 34 7.093 -9.281 -6.600 253 HB3 ALA 34 2HB ALA 34 6.697 -10.703 -5.608 254 H THR 35 H THR 35 4.224 -11.360 -7.921 255 HA THR 35 HA THR 35 1.814 -12.243 -6.564 256 HB THR 35 HB THR 35 1.747 -13.928 -8.425 257 HG1 THR 35 HG1 THR 35 3.300 -13.692 -10.048 258 HG21 THR 35 3HG2 THR 35 2.273 -11.069 -9.355 259 HG22 THR 35 1HG2 THR 35 0.738 -11.668 -8.689 260 HG23 THR 35 2HG2 THR 35 1.354 -12.323 -10.215 261 H TRP 36 H TRP 36 5.050 -13.125 -6.088 262 HA TRP 36 HA TRP 36 4.403 -15.911 -5.232 263 HB2 TRP 36 2HB TRP 36 6.804 -16.308 -5.961 264 HB3 TRP 36 3HB TRP 36 5.624 -15.961 -7.205 265 HD1 TRP 36 HD1 TRP 36 6.149 -14.145 -8.866 266 HE1 TRP 36 HE1 TRP 36 7.942 -12.336 -9.180 267 HE3 TRP 36 HE3 TRP 36 8.514 -14.565 -4.327 268 HZ2 TRP 36 HZ2 TRP 36 10.026 -11.123 -7.599 269 HZ3 TRP 36 HZ3 TRP 36 10.376 -13.030 -3.748 270 HH2 TRP 36 HH2 TRP 36 11.138 -11.306 -5.367 271 H CYS 37 H CYS 37 5.284 -13.028 -3.706 272 HA CYS 37 HA CYS 37 7.366 -14.169 -2.014 273 HB2 CYS 37 2HB CYS 37 7.084 -11.844 -0.861 274 HB3 CYS 37 3HB CYS 37 7.901 -12.051 -2.394 275 H GLY 38 H GLY 38 7.285 -15.022 -0.070 276 HA2 GLY 38 2HA GLY 38 4.934 -15.956 1.167 277 HA3 GLY 38 3HA GLY 38 6.522 -15.851 1.928 278 HA PRO 39 HA PRO 39 5.111 -12.603 4.550 279 HB2 PRO 39 2HB PRO 39 6.773 -10.414 4.361 280 HB3 PRO 39 3HB PRO 39 7.230 -11.969 5.117 281 HG2 PRO 39 2HG PRO 39 7.790 -11.017 2.300 282 HG3 PRO 39 3HG PRO 39 8.937 -11.732 3.476 283 HD2 PRO 39 2HD PRO 39 7.788 -13.227 1.536 284 HD3 PRO 39 3HD PRO 39 8.019 -13.904 3.175 285 H CYS 40 H CYS 40 5.341 -11.584 1.149 286 HA CYS 40 HA CYS 40 3.589 -9.290 1.558 287 HB2 CYS 40 2HB CYS 40 3.782 -8.827 -0.648 288 HB3 CYS 40 3HB CYS 40 5.343 -9.509 -0.238 289 H LYS 41 H LYS 41 3.117 -12.701 0.524 290 HA LYS 41 HA LYS 41 0.254 -12.514 0.322 291 HB2 LYS 41 2HB LYS 41 1.650 -14.318 -0.655 292 HB3 LYS 41 3HB LYS 41 2.078 -14.872 0.961 293 HG2 LYS 41 2HG LYS 41 0.374 -16.282 -0.020 294 HG3 LYS 41 3HG LYS 41 -0.251 -15.467 1.416 295 HD2 LYS 41 2HD LYS 41 -1.517 -13.880 0.006 296 HD3 LYS 41 3HD LYS 41 -0.745 -14.528 -1.446 297 HE2 LYS 41 2HE LYS 41 -2.970 -15.409 -1.319 298 HE3 LYS 41 3HE LYS 41 -1.826 -16.725 -1.048 299 HZ1 LYS 41 3HZ LYS 41 -3.679 -16.775 0.534 300 HZ2 LYS 41 1HZ LYS 41 -3.309 -15.291 1.098 301 HZ3 LYS 41 2HZ LYS 41 -2.283 -16.544 1.340 302 H MET 42 H MET 42 2.427 -13.026 3.104 303 HA MET 42 HA MET 42 0.422 -13.594 5.032 304 HB2 MET 42 2HB MET 42 2.899 -13.861 5.310 305 HB3 MET 42 3HB MET 42 3.028 -12.106 5.504 306 HG2 MET 42 2HG MET 42 1.547 -12.212 7.478 307 HG3 MET 42 3HG MET 42 1.428 -13.968 7.287 308 HE1 MET 42 3HE MET 42 3.572 -13.494 10.550 309 HE2 MET 42 1HE MET 42 2.247 -12.453 9.985 310 HE3 MET 42 2HE MET 42 2.114 -14.222 9.839 311 H VAL 43 H VAL 43 1.522 -10.358 3.849 312 HA VAL 43 HA VAL 43 -0.384 -9.020 5.660 313 HB VAL 43 HB VAL 43 0.340 -6.931 4.684 314 HG11 VAL 43 1HG1 VAL 43 1.520 -7.938 6.605 315 HG12 VAL 43 2HG1 VAL 43 2.689 -8.675 5.487 316 HG13 VAL 43 3HG1 VAL 43 2.564 -6.901 5.611 317 HG21 VAL 43 3HG2 VAL 43 2.331 -8.526 3.057 318 HG22 VAL 43 1HG2 VAL 43 0.918 -7.700 2.375 319 HG23 VAL 43 2HG2 VAL 43 2.205 -6.763 3.145 320 H ALA 44 H ALA 44 -0.692 -10.450 2.559 321 HA ALA 44 HA ALA 44 -2.497 -8.780 1.278 322 HB1 ALA 44 3HB ALA 44 -2.615 -11.818 1.299 323 HB2 ALA 44 1HB ALA 44 -3.225 -10.722 0.050 324 HB3 ALA 44 2HB ALA 44 -1.481 -10.852 0.343 325 HA PRO 45 HA PRO 45 -6.296 -10.499 3.662 326 HB2 PRO 45 2HB PRO 45 -5.980 -11.685 6.117 327 HB3 PRO 45 3HB PRO 45 -6.013 -12.589 4.574 328 HG2 PRO 45 2HG PRO 45 -3.576 -11.645 6.121 329 HG3 PRO 45 3HG PRO 45 -3.904 -13.282 5.464 330 HD2 PRO 45 2HD PRO 45 -2.375 -11.545 4.112 331 HD3 PRO 45 3HD PRO 45 -3.550 -12.562 3.239 332 H VAL 46 H VAL 46 -3.497 -9.230 5.485 333 HA VAL 46 HA VAL 46 -5.067 -7.699 7.385 334 HB VAL 46 HB VAL 46 -2.143 -7.605 6.551 335 HG11 VAL 46 1HG1 VAL 46 -1.833 -6.207 8.642 336 HG12 VAL 46 2HG1 VAL 46 -2.550 -5.384 7.260 337 HG13 VAL 46 3HG1 VAL 46 -3.599 -5.921 8.589 338 HG21 VAL 46 3HG2 VAL 46 -2.866 -9.598 7.834 339 HG22 VAL 46 1HG2 VAL 46 -1.776 -8.575 8.773 340 HG23 VAL 46 2HG2 VAL 46 -3.525 -8.541 9.101 341 H LEU 47 H LEU 47 -3.379 -6.771 4.353 342 HA LEU 47 HA LEU 47 -4.381 -4.031 4.390 343 HB2 LEU 47 2HB LEU 47 -3.173 -3.759 2.409 344 HB3 LEU 47 3HB LEU 47 -2.250 -4.826 3.422 345 HG LEU 47 HG LEU 47 -3.380 -6.741 2.001 346 HD11 LEU 47 1HD1 LEU 47 -3.456 -4.408 0.044 347 HD12 LEU 47 2HD1 LEU 47 -4.889 -5.227 0.684 348 HD13 LEU 47 3HD1 LEU 47 -3.757 -6.123 -0.332 349 HD21 LEU 47 3HD2 LEU 47 -0.967 -6.229 2.046 350 HD22 LEU 47 1HD2 LEU 47 -1.212 -4.917 0.879 351 HD23 LEU 47 2HD2 LEU 47 -1.496 -6.602 0.401 352 H GLU 48 H GLU 48 -5.612 -7.059 2.877 353 HA GLU 48 HA GLU 48 -7.843 -5.825 1.554 354 HB2 GLU 48 2HB GLU 48 -7.068 -8.118 1.142 355 HB3 GLU 48 3HB GLU 48 -7.548 -8.605 2.770 356 HG2 GLU 48 2HG GLU 48 -9.908 -8.181 2.224 357 HG3 GLU 48 3HG GLU 48 -9.445 -7.529 0.648 358 H GLU 49 H GLU 49 -7.545 -7.197 4.874 359 HA GLU 49 HA GLU 49 -10.266 -6.666 5.528 360 HB2 GLU 49 2HB GLU 49 -7.809 -7.210 7.224 361 HB3 GLU 49 3HB GLU 49 -9.352 -6.774 7.962 362 HG2 GLU 49 2HG GLU 49 -10.496 -8.640 6.953 363 HG3 GLU 49 3HG GLU 49 -9.091 -9.082 5.996 364 H ILE 50 H ILE 50 -7.299 -4.678 6.176 365 HA ILE 50 HA ILE 50 -8.746 -2.518 7.396 366 HB ILE 50 HB ILE 50 -6.136 -2.752 5.939 367 HG12 ILE 50 2HG1 ILE 50 -6.307 -3.767 8.163 368 HG13 ILE 50 3HG1 ILE 50 -5.125 -2.474 8.134 369 HG21 ILE 50 1HG2 ILE 50 -5.501 -0.468 6.822 370 HG22 ILE 50 2HG2 ILE 50 -6.620 -0.494 5.463 371 HG23 ILE 50 3HG2 ILE 50 -7.232 -0.175 7.104 372 HD11 ILE 50 3HD1 ILE 50 -6.717 -0.954 9.283 373 HD12 ILE 50 1HD1 ILE 50 -7.902 -2.284 9.369 374 HD13 ILE 50 2HD1 ILE 50 -6.356 -2.410 10.212 375 H ALA 51 H ALA 51 -8.084 -3.151 3.897 376 HA ALA 51 HA ALA 51 -9.263 -0.732 2.961 377 HB1 ALA 51 3HB ALA 51 -9.466 -3.451 1.601 378 HB2 ALA 51 1HB ALA 51 -9.377 -1.841 0.855 379 HB3 ALA 51 2HB ALA 51 -7.965 -2.527 1.681 380 H THR 52 H THR 52 -10.753 -3.853 3.897 381 HA THR 52 HA THR 52 -13.416 -3.087 2.978 382 HB THR 52 HB THR 52 -12.511 -5.457 4.651 383 HG1 THR 52 HG1 THR 52 -11.467 -5.545 2.742 384 HG21 THR 52 3HG2 THR 52 -15.006 -5.006 2.950 385 HG22 THR 52 1HG2 THR 52 -14.955 -5.206 4.718 386 HG23 THR 52 2HG2 THR 52 -14.518 -6.558 3.666 387 H GLU 53 H GLU 53 -11.699 -3.079 6.101 388 HA GLU 53 HA GLU 53 -14.183 -2.461 7.579 389 HB2 GLU 53 2HB GLU 53 -11.301 -2.803 8.504 390 HB3 GLU 53 3HB GLU 53 -12.697 -2.517 9.549 391 HG2 GLU 53 2HG GLU 53 -13.743 -4.601 8.422 392 HG3 GLU 53 3HG GLU 53 -12.151 -4.984 7.852 393 H ARG 54 H ARG 54 -11.331 -0.690 6.468 394 HA ARG 54 HA ARG 54 -12.200 1.754 7.960 395 HB2 ARG 54 2HB ARG 54 -9.406 1.177 6.954 396 HB3 ARG 54 3HB ARG 54 -9.919 2.394 8.100 397 HG2 ARG 54 2HG ARG 54 -9.764 -0.600 8.560 398 HG3 ARG 54 3HG ARG 54 -8.750 0.645 9.256 399 HD2 ARG 54 2HD ARG 54 -11.676 0.111 9.881 400 HD3 ARG 54 3HD ARG 54 -10.278 -0.165 10.918 401 HE ARG 54 HE ARG 54 -10.835 2.635 10.026 402 HH11 ARG 54 2HH2 ARG 54 -11.081 0.389 12.728 403 HH12 ARG 54 1HH2 ARG 54 -11.422 1.688 13.840 404 HH21 ARG 54 2HH1 ARG 54 -11.280 4.111 11.377 405 HH22 ARG 54 1HH1 ARG 54 -11.517 3.805 13.101 406 H ALA 55 H ALA 55 -13.192 0.950 5.268 407 HA ALA 55 HA ALA 55 -12.079 2.453 3.190 408 HB1 ALA 55 3HB ALA 55 -13.832 0.729 2.947 409 HB2 ALA 55 1HB ALA 55 -15.016 1.811 3.717 410 HB3 ALA 55 2HB ALA 55 -14.302 2.239 2.147 411 H THR 56 H THR 56 -14.093 3.679 5.833 412 HA THR 56 HA THR 56 -14.589 6.307 4.725 413 HB THR 56 HB THR 56 -14.490 5.517 7.658 414 HG1 THR 56 HG1 THR 56 -16.663 4.984 7.399 415 HG21 THR 56 3HG2 THR 56 -14.806 7.933 7.306 416 HG22 THR 56 1HG2 THR 56 -16.315 7.207 7.866 417 HG23 THR 56 2HG2 THR 56 -16.116 7.615 6.146 418 H ASP 57 H ASP 57 -11.871 4.857 6.432 419 HA ASP 57 HA ASP 57 -10.610 7.453 7.099 420 HB2 ASP 57 2HB ASP 57 -9.722 4.589 7.578 421 HB3 ASP 57 3HB ASP 57 -8.910 6.014 8.183 422 H LEU 58 H LEU 58 -10.083 4.623 4.945 423 HA LEU 58 HA LEU 58 -8.200 6.237 3.352 424 HB2 LEU 58 2HB LEU 58 -6.412 4.582 3.447 425 HB3 LEU 58 3HB LEU 58 -6.721 5.326 4.982 426 HG LEU 58 HG LEU 58 -7.537 3.365 5.957 427 HD11 LEU 58 1HD1 LEU 58 -9.085 2.446 4.344 428 HD12 LEU 58 2HD1 LEU 58 -7.913 1.219 4.766 429 HD13 LEU 58 3HD1 LEU 58 -7.761 2.078 3.218 430 HD21 LEU 58 3HD2 LEU 58 -5.424 2.432 3.965 431 HD22 LEU 58 1HD2 LEU 58 -5.710 1.789 5.595 432 HD23 LEU 58 2HD2 LEU 58 -5.062 3.418 5.385 433 H THR 59 H THR 59 -7.267 5.069 1.521 434 HA THR 59 HA THR 59 -8.927 2.836 0.405 435 HB THR 59 HB THR 59 -7.289 4.894 -1.117 436 HG1 THR 59 HG1 THR 59 -9.297 5.474 -1.936 437 HG21 THR 59 3HG2 THR 59 -8.893 2.506 -2.138 438 HG22 THR 59 1HG2 THR 59 -7.139 2.765 -2.314 439 HG23 THR 59 2HG2 THR 59 -8.269 3.822 -3.156 440 H VAL 60 H VAL 60 -7.723 0.979 -0.292 441 HA VAL 60 HA VAL 60 -4.775 1.024 0.261 442 HB VAL 60 HB VAL 60 -6.595 -1.337 0.598 443 HG11 VAL 60 1HG1 VAL 60 -3.624 -1.110 1.180 444 HG12 VAL 60 2HG1 VAL 60 -4.680 -2.504 1.505 445 HG13 VAL 60 3HG1 VAL 60 -4.359 -2.028 -0.156 446 HG21 VAL 60 3HG2 VAL 60 -5.967 -1.237 3.016 447 HG22 VAL 60 1HG2 VAL 60 -5.197 0.335 2.713 448 HG23 VAL 60 2HG2 VAL 60 -6.946 0.124 2.480 449 H ALA 61 H ALA 61 -3.536 0.595 -1.360 450 HA ALA 61 HA ALA 61 -4.537 -0.707 -3.843 451 HB1 ALA 61 3HB ALA 61 -4.381 1.784 -4.026 452 HB2 ALA 61 1HB ALA 61 -2.687 1.695 -3.536 453 HB3 ALA 61 2HB ALA 61 -3.199 0.965 -5.071 454 H LYS 62 H LYS 62 -2.827 -1.697 -5.151 455 HA LYS 62 HA LYS 62 -0.252 -2.209 -3.725 456 HB2 LYS 62 2HB LYS 62 -1.629 -4.432 -5.240 457 HB3 LYS 62 3HB LYS 62 -0.147 -4.475 -4.304 458 HG2 LYS 62 2HG LYS 62 -1.566 -5.495 -2.815 459 HG3 LYS 62 3HG LYS 62 -1.624 -3.835 -2.251 460 HD2 LYS 62 2HD LYS 62 -3.878 -4.669 -2.279 461 HD3 LYS 62 3HD LYS 62 -3.724 -3.526 -3.597 462 HE2 LYS 62 2HE LYS 62 -3.250 -5.591 -5.102 463 HE3 LYS 62 3HE LYS 62 -3.826 -6.561 -3.743 464 HZ1 LYS 62 3HZ LYS 62 -5.381 -4.392 -5.053 465 HZ2 LYS 62 1HZ LYS 62 -5.964 -5.400 -3.900 466 HZ3 LYS 62 2HZ LYS 62 -5.590 -5.991 -5.373 467 H LEU 63 H LEU 63 1.476 -2.434 -4.870 468 HA LEU 63 HA LEU 63 1.407 -1.786 -7.799 469 HB2 LEU 63 2HB LEU 63 2.222 0.084 -6.455 470 HB3 LEU 63 3HB LEU 63 3.423 -0.937 -5.700 471 HG LEU 63 HG LEU 63 4.308 0.614 -7.386 472 HD11 LEU 63 1HD1 LEU 63 5.915 -0.733 -8.333 473 HD12 LEU 63 2HD1 LEU 63 4.830 -2.092 -8.587 474 HD13 LEU 63 3HD1 LEU 63 5.383 -1.711 -6.950 475 HD21 LEU 63 3HD2 LEU 63 2.435 0.623 -8.979 476 HD22 LEU 63 1HD2 LEU 63 2.825 -1.043 -9.464 477 HD23 LEU 63 2HD2 LEU 63 3.971 0.255 -9.788 478 H ASP 64 H ASP 64 2.341 -3.173 -9.106 479 HA ASP 64 HA ASP 64 3.293 -5.719 -7.927 480 HB2 ASP 64 2HB ASP 64 1.298 -5.545 -9.410 481 HB3 ASP 64 3HB ASP 64 2.363 -5.163 -10.759 482 H VAL 65 H VAL 65 5.430 -5.572 -7.547 483 HA VAL 65 HA VAL 65 7.254 -4.184 -9.303 484 HB VAL 65 HB VAL 65 8.981 -4.653 -7.838 485 HG11 VAL 65 1HG1 VAL 65 6.553 -4.545 -6.031 486 HG12 VAL 65 2HG1 VAL 65 8.193 -3.959 -5.692 487 HG13 VAL 65 3HG1 VAL 65 7.210 -3.178 -6.947 488 HG21 VAL 65 3HG2 VAL 65 8.966 -6.286 -6.021 489 HG22 VAL 65 1HG2 VAL 65 7.388 -6.899 -6.556 490 HG23 VAL 65 2HG2 VAL 65 8.823 -7.091 -7.581 491 H ASP 66 H ASP 66 5.986 -7.345 -9.517 492 HA ASP 66 HA ASP 66 8.272 -8.617 -10.784 493 HB2 ASP 66 2HB ASP 66 6.333 -9.741 -9.558 494 HB3 ASP 66 3HB ASP 66 5.350 -9.416 -10.987 495 H THR 67 H THR 67 5.648 -6.565 -11.920 496 HA THR 67 HA THR 67 6.606 -6.844 -14.756 497 HB THR 67 HB THR 67 4.305 -6.348 -15.464 498 HG1 THR 67 HG1 THR 67 2.659 -6.469 -13.918 499 HG21 THR 67 3HG2 THR 67 4.367 -8.745 -13.580 500 HG22 THR 67 1HG2 THR 67 5.042 -8.723 -15.224 501 HG23 THR 67 2HG2 THR 67 3.301 -8.501 -14.981 502 H ASN 68 H ASN 68 5.729 -4.549 -12.222 503 HA ASN 68 HA ASN 68 6.705 -2.324 -13.924 504 HB2 ASN 68 2HB ASN 68 4.245 -2.535 -14.244 505 HB3 ASN 68 3HB ASN 68 4.008 -2.377 -12.503 506 HD21 ASN 68 1HD2 ASN 68 5.652 -0.605 -15.229 507 HD22 ASN 68 2HD2 ASN 68 5.129 0.976 -14.629 508 HA PRO 69 HA PRO 69 8.216 -2.141 -9.488 509 HB2 PRO 69 2HB PRO 69 10.912 -2.227 -9.897 510 HB3 PRO 69 3HB PRO 69 9.897 -3.694 -9.910 511 HG2 PRO 69 2HG PRO 69 10.809 -2.050 -12.298 512 HG3 PRO 69 3HG PRO 69 10.964 -3.822 -12.057 513 HD2 PRO 69 2HD PRO 69 8.909 -2.748 -13.476 514 HD3 PRO 69 3HD PRO 69 8.661 -4.168 -12.417 515 H GLU 70 H GLU 70 8.078 -0.028 -12.041 516 HA GLU 70 HA GLU 70 10.140 1.825 -11.594 517 HB2 GLU 70 2HB GLU 70 7.389 2.181 -12.810 518 HB3 GLU 70 3HB GLU 70 8.673 3.386 -12.917 519 HG2 GLU 70 2HG GLU 70 8.819 0.555 -14.018 520 HG3 GLU 70 3HG GLU 70 8.453 1.995 -14.955 521 H THR 71 H THR 71 6.824 1.913 -10.099 522 HA THR 71 HA THR 71 7.599 4.235 -8.523 523 HB THR 71 HB THR 71 5.426 3.359 -7.206 524 HG1 THR 71 HG1 THR 71 3.968 2.752 -8.840 525 HG21 THR 71 3HG2 THR 71 5.758 5.622 -8.033 526 HG22 THR 71 1HG2 THR 71 4.180 5.018 -8.560 527 HG23 THR 71 2HG2 THR 71 5.539 5.079 -9.709 528 H ALA 72 H ALA 72 7.880 0.755 -7.994 529 HA ALA 72 HA ALA 72 8.358 0.990 -5.149 530 HB1 ALA 72 3HB ALA 72 9.283 -1.132 -7.132 531 HB2 ALA 72 1HB ALA 72 9.299 -1.264 -5.363 532 HB3 ALA 72 2HB ALA 72 7.755 -1.120 -6.218 533 H ARG 73 H ARG 73 10.551 1.196 -8.012 534 HA ARG 73 HA ARG 73 12.839 1.830 -6.289 535 HB2 ARG 73 2HB ARG 73 14.130 2.176 -8.224 536 HB3 ARG 73 3HB ARG 73 13.157 0.723 -8.448 537 HG2 ARG 73 2HG ARG 73 11.607 1.976 -9.905 538 HG3 ARG 73 3HG ARG 73 12.553 3.459 -9.663 539 HD2 ARG 73 2HD ARG 73 14.556 2.222 -10.627 540 HD3 ARG 73 3HD ARG 73 13.476 0.875 -10.985 541 HE ARG 73 HE ARG 73 12.513 2.051 -12.748 542 HH11 ARG 73 1HH1 ARG 73 14.707 4.246 -11.088 543 HH12 ARG 73 2HH1 ARG 73 14.574 5.450 -12.338 544 HH21 ARG 73 1HH2 ARG 73 12.305 3.663 -14.221 545 HH22 ARG 73 2HH2 ARG 73 13.277 5.113 -14.085 546 H ASN 74 H ASN 74 10.346 3.829 -7.807 547 HA ASN 74 HA ASN 74 11.538 6.373 -7.353 548 HB2 ASN 74 2HB ASN 74 9.347 5.886 -8.591 549 HB3 ASN 74 3HB ASN 74 8.584 5.690 -7.020 550 HD21 ASN 74 1HD2 ASN 74 7.997 7.537 -5.814 551 HD22 ASN 74 2HD2 ASN 74 8.324 9.152 -6.414 552 H PHE 75 H PHE 75 9.643 4.302 -5.144 553 HA PHE 75 HA PHE 75 10.307 6.043 -2.840 554 HB2 PHE 75 2HB PHE 75 8.313 3.789 -3.135 555 HB3 PHE 75 3HB PHE 75 8.591 4.706 -1.654 556 HD1 PHE 75 HD1 PHE 75 8.354 7.286 -1.740 557 HD2 PHE 75 HD2 PHE 75 6.766 4.666 -4.769 558 HE1 PHE 75 HE1 PHE 75 6.888 9.114 -2.560 559 HE2 PHE 75 HE2 PHE 75 5.308 6.493 -5.593 560 HZ PHE 75 HZ PHE 75 5.375 8.725 -4.497 561 H GLN 76 H GLN 76 12.220 4.180 -4.234 562 HA GLN 76 HA GLN 76 14.003 2.923 -3.753 563 HB2 GLN 76 2HB GLN 76 14.243 5.224 -2.674 564 HB3 GLN 76 3HB GLN 76 14.027 4.413 -1.119 565 HG2 GLN 76 2HG GLN 76 16.030 2.973 -1.661 566 HG3 GLN 76 3HG GLN 76 16.188 3.812 -3.202 567 HE21 GLN 76 1HE2 GLN 76 18.444 3.936 -1.892 568 HE22 GLN 76 2HE2 GLN 76 18.642 5.459 -1.035 569 H VAL 77 H VAL 77 11.891 1.270 -3.347 570 HA VAL 77 HA VAL 77 11.808 -0.063 -0.809 571 HB VAL 77 HB VAL 77 11.021 -0.952 -3.607 572 HG11 VAL 77 1HG1 VAL 77 10.421 -2.290 -0.939 573 HG12 VAL 77 2HG1 VAL 77 9.608 -2.668 -2.471 574 HG13 VAL 77 3HG1 VAL 77 11.332 -2.994 -2.294 575 HG21 VAL 77 3HG2 VAL 77 9.753 0.991 -2.594 576 HG22 VAL 77 1HG2 VAL 77 8.776 -0.445 -2.876 577 HG23 VAL 77 2HG2 VAL 77 9.328 -0.054 -1.231 578 H VAL 78 H VAL 78 13.218 -1.351 0.121 579 HA VAL 78 HA VAL 78 15.561 -2.363 -1.366 580 HB VAL 78 HB VAL 78 14.935 -2.438 1.609 581 HG11 VAL 78 1HG1 VAL 78 17.382 -2.809 1.869 582 HG12 VAL 78 2HG1 VAL 78 16.606 -4.149 1.026 583 HG13 VAL 78 3HG1 VAL 78 17.542 -2.950 0.104 584 HG21 VAL 78 3HG2 VAL 78 16.585 -0.582 1.762 585 HG22 VAL 78 1HG2 VAL 78 16.680 -0.529 -0.013 586 HG23 VAL 78 2HG2 VAL 78 15.169 -0.113 0.821 587 H SER 79 H SER 79 12.782 -3.681 0.424 588 HA SER 79 HA SER 79 13.008 -6.227 -1.011 589 HB2 SER 79 2HB SER 79 14.356 -6.488 1.122 590 HB3 SER 79 3HB SER 79 12.851 -6.229 2.027 591 HG SER 79 HG SER 79 13.333 -8.471 1.621 592 H ILE 80 H ILE 80 11.040 -7.568 -0.645 593 HA ILE 80 HA ILE 80 8.650 -5.838 -0.244 594 HB ILE 80 HB ILE 80 7.441 -7.252 -1.817 595 HG12 ILE 80 2HG1 ILE 80 10.147 -8.557 -2.349 596 HG13 ILE 80 3HG1 ILE 80 8.685 -9.331 -1.731 597 HG21 ILE 80 1HG2 ILE 80 9.926 -6.013 -3.066 598 HG22 ILE 80 2HG2 ILE 80 8.293 -6.137 -3.761 599 HG23 ILE 80 3HG2 ILE 80 8.580 -5.071 -2.390 600 HD11 ILE 80 3HD1 ILE 80 7.559 -8.716 -3.934 601 HD12 ILE 80 1HD1 ILE 80 9.170 -8.257 -4.530 602 HD13 ILE 80 2HD1 ILE 80 8.856 -9.924 -4.028 603 HA PRO 81 HA PRO 81 6.318 -6.136 0.018 604 HB2 PRO 81 2HB PRO 81 4.674 -5.728 2.131 605 HB3 PRO 81 3HB PRO 81 4.556 -7.194 1.113 606 HG2 PRO 81 2HG PRO 81 6.010 -6.851 3.758 607 HG3 PRO 81 3HG PRO 81 4.848 -8.135 3.312 608 HD2 PRO 81 2HD PRO 81 7.560 -8.479 3.120 609 HD3 PRO 81 3HD PRO 81 6.443 -9.213 1.936 610 H THR 82 H THR 82 6.137 -3.904 0.323 611 HA THR 82 HA THR 82 7.153 -2.686 2.813 612 HB THR 82 HB THR 82 8.106 -1.799 0.070 613 HG1 THR 82 HG1 THR 82 9.477 -3.233 1.119 614 HG21 THR 82 3HG2 THR 82 7.426 0.251 1.241 615 HG22 THR 82 1HG2 THR 82 9.186 0.102 1.300 616 HG23 THR 82 2HG2 THR 82 8.218 -0.307 2.732 617 H LEU 83 H LEU 83 5.586 -1.542 3.626 618 HA LEU 83 HA LEU 83 3.292 -0.686 1.937 619 HB2 LEU 83 2HB LEU 83 3.603 -1.007 4.955 620 HB3 LEU 83 3HB LEU 83 2.203 -0.318 4.149 621 HG LEU 83 HG LEU 83 1.937 -2.528 2.892 622 HD11 LEU 83 1HD1 LEU 83 3.890 -3.477 5.046 623 HD12 LEU 83 2HD1 LEU 83 4.067 -3.648 3.284 624 HD13 LEU 83 3HD1 LEU 83 2.815 -4.546 4.119 625 HD21 LEU 83 3HD2 LEU 83 1.677 -2.596 5.927 626 HD22 LEU 83 1HD2 LEU 83 0.767 -3.584 4.767 627 HD23 LEU 83 2HD2 LEU 83 0.521 -1.837 4.826 628 H ILE 84 H ILE 84 2.926 1.432 1.538 629 HA ILE 84 HA ILE 84 4.284 3.480 3.211 630 HB ILE 84 HB ILE 84 5.463 2.986 1.047 631 HG12 ILE 84 2HG1 ILE 84 5.905 5.011 2.313 632 HG13 ILE 84 3HG1 ILE 84 6.180 5.144 0.595 633 HG21 ILE 84 1HG2 ILE 84 4.620 4.118 -1.007 634 HG22 ILE 84 2HG2 ILE 84 3.695 2.693 -0.506 635 HG23 ILE 84 3HG2 ILE 84 3.060 4.320 -0.199 636 HD11 ILE 84 3HD1 ILE 84 5.250 7.193 1.455 637 HD12 ILE 84 1HD1 ILE 84 4.096 6.458 0.333 638 HD13 ILE 84 2HD1 ILE 84 3.829 6.371 2.084 639 H LEU 85 H LEU 85 3.025 5.079 3.899 640 HA LEU 85 HA LEU 85 0.172 5.107 3.007 641 HB2 LEU 85 2HB LEU 85 0.528 4.329 5.298 642 HB3 LEU 85 3HB LEU 85 1.392 5.812 5.690 643 HG LEU 85 HG LEU 85 -0.625 7.142 5.436 644 HD11 LEU 85 1HD1 LEU 85 -1.854 6.079 3.667 645 HD12 LEU 85 2HD1 LEU 85 -2.857 5.984 5.111 646 HD13 LEU 85 3HD1 LEU 85 -1.968 4.547 4.567 647 HD21 LEU 85 3HD2 LEU 85 -1.258 4.623 7.030 648 HD22 LEU 85 1HD2 LEU 85 -1.910 6.255 7.294 649 HD23 LEU 85 2HD2 LEU 85 -0.195 5.927 7.590 650 H PHE 86 H PHE 86 -0.325 6.696 1.770 651 HA PHE 86 HA PHE 86 1.046 9.323 1.833 652 HB2 PHE 86 2HB PHE 86 -1.008 8.144 -0.083 653 HB3 PHE 86 3HB PHE 86 -0.270 9.727 -0.242 654 HD1 PHE 86 HD1 PHE 86 2.094 9.986 -0.892 655 HD2 PHE 86 HD2 PHE 86 0.217 6.115 -0.716 656 HE1 PHE 86 HE1 PHE 86 3.996 9.016 -2.153 657 HE2 PHE 86 HE2 PHE 86 2.079 5.168 -2.059 658 HZ PHE 86 HZ PHE 86 3.987 6.592 -2.731 659 H LYS 87 H LYS 87 -0.166 11.260 1.919 660 HA LYS 87 HA LYS 87 -3.059 11.221 2.546 661 HB2 LYS 87 2HB LYS 87 -1.841 11.187 4.741 662 HB3 LYS 87 3HB LYS 87 -1.022 12.687 4.277 663 HG2 LYS 87 2HG LYS 87 -3.265 13.824 4.160 664 HG3 LYS 87 3HG LYS 87 -4.020 12.309 4.695 665 HD2 LYS 87 2HD LYS 87 -2.516 12.401 6.749 666 HD3 LYS 87 3HD LYS 87 -1.978 14.002 6.211 667 HE2 LYS 87 2HE LYS 87 -4.383 14.759 6.292 668 HE3 LYS 87 3HE LYS 87 -4.816 13.154 6.932 669 HZ1 LYS 87 3HZ LYS 87 -2.898 14.975 8.278 670 HZ2 LYS 87 1HZ LYS 87 -3.486 13.544 8.845 671 HZ3 LYS 87 2HZ LYS 87 -4.471 14.843 8.696 672 H ASP 88 H ASP 88 -4.059 12.815 1.424 673 HA ASP 88 HA ASP 88 -4.360 14.426 -0.144 674 HB2 ASP 88 2HB ASP 88 -4.184 15.601 2.051 675 HB3 ASP 88 3HB ASP 88 -2.510 16.000 1.673 676 H GLY 89 H GLY 89 -2.320 12.635 -0.986 677 HA2 GLY 89 2HA GLY 89 -0.968 12.378 -2.809 678 HA3 GLY 89 3HA GLY 89 -1.172 14.071 -3.225 679 H GLN 90 H GLN 90 0.113 13.494 -0.017 680 HA GLN 90 HA GLN 90 2.914 13.444 -1.035 681 HB2 GLN 90 2HB GLN 90 3.703 14.632 0.875 682 HB3 GLN 90 3HB GLN 90 2.511 15.616 0.044 683 HG2 GLN 90 2HG GLN 90 0.938 15.418 1.783 684 HG3 GLN 90 3HG GLN 90 1.639 13.930 2.420 685 HE21 GLN 90 1HE2 GLN 90 3.787 14.046 3.537 686 HE22 GLN 90 2HE2 GLN 90 4.164 15.559 4.356 687 HA PRO 91 HA PRO 91 3.258 9.706 1.479 688 HB2 PRO 91 2HB PRO 91 5.928 9.606 2.009 689 HB3 PRO 91 3HB PRO 91 5.253 9.289 0.378 690 HG2 PRO 91 2HG PRO 91 6.415 11.892 1.421 691 HG3 PRO 91 3HG PRO 91 6.812 11.034 -0.104 692 HD2 PRO 91 2HD PRO 91 5.026 13.076 -0.042 693 HD3 PRO 91 3HD PRO 91 4.761 11.659 -1.099 694 H VAL 92 H VAL 92 3.251 9.200 3.680 695 HA VAL 92 HA VAL 92 4.186 11.293 5.614 696 HB VAL 92 HB VAL 92 1.892 9.434 6.299 697 HG11 VAL 92 1HG1 VAL 92 1.421 11.275 7.915 698 HG12 VAL 92 2HG1 VAL 92 3.021 10.564 8.161 699 HG13 VAL 92 3HG1 VAL 92 2.859 12.134 7.343 700 HG21 VAL 92 3HG2 VAL 92 0.362 11.348 5.834 701 HG22 VAL 92 1HG2 VAL 92 1.692 12.208 5.033 702 HG23 VAL 92 2HG2 VAL 92 1.064 10.685 4.359 703 H LYS 93 H LYS 93 3.718 7.777 5.107 704 HA LYS 93 HA LYS 93 6.032 7.229 6.928 705 HB2 LYS 93 2HB LYS 93 3.335 5.803 7.043 706 HB3 LYS 93 3HB LYS 93 4.785 5.357 7.947 707 HG2 LYS 93 2HG LYS 93 4.709 7.577 9.098 708 HG3 LYS 93 3HG LYS 93 3.161 7.911 8.272 709 HD2 LYS 93 2HD LYS 93 2.165 5.917 9.255 710 HD3 LYS 93 3HD LYS 93 3.674 5.536 10.108 711 HE2 LYS 93 2HE LYS 93 2.015 8.072 10.474 712 HE3 LYS 93 3HE LYS 93 1.923 6.648 11.512 713 HZ1 LYS 93 3HZ LYS 93 4.268 7.007 12.101 714 HZ2 LYS 93 1HZ LYS 93 3.337 8.305 12.475 715 HZ3 LYS 93 2HZ LYS 93 4.327 8.359 11.172 716 H ARG 94 H ARG 94 7.233 5.451 6.423 717 HA ARG 94 HA ARG 94 6.225 3.494 4.419 718 HB2 ARG 94 2HB ARG 94 7.957 5.109 3.397 719 HB3 ARG 94 3HB ARG 94 9.133 4.385 4.493 720 HG2 ARG 94 2HG ARG 94 8.492 2.103 3.477 721 HG3 ARG 94 3HG ARG 94 7.499 2.991 2.321 722 HD2 ARG 94 2HD ARG 94 9.519 2.573 1.201 723 HD3 ARG 94 3HD ARG 94 9.626 4.276 1.672 724 HE ARG 94 HE ARG 94 10.824 2.951 3.785 725 HH11 ARG 94 1HH2 ARG 94 11.505 3.041 0.341 726 HH12 ARG 94 2HH2 ARG 94 13.090 2.355 0.546 727 HH21 ARG 94 1HH1 ARG 94 12.935 2.247 3.987 728 HH22 ARG 94 2HH1 ARG 94 13.917 2.060 2.564 729 H ILE 95 H ILE 95 6.330 1.465 5.124 730 HA ILE 95 HA ILE 95 8.172 0.706 7.357 731 HB ILE 95 HB ILE 95 5.243 -0.054 7.073 732 HG12 ILE 95 2HG1 ILE 95 5.485 2.246 7.951 733 HG13 ILE 95 3HG1 ILE 95 4.796 1.135 9.109 734 HG21 ILE 95 1HG2 ILE 95 7.372 -0.941 9.062 735 HG22 ILE 95 2HG2 ILE 95 5.634 -1.136 9.339 736 HG23 ILE 95 3HG2 ILE 95 6.402 -1.952 7.970 737 HD11 ILE 95 3HD1 ILE 95 7.706 2.044 9.166 738 HD12 ILE 95 1HD1 ILE 95 6.389 2.710 10.145 739 HD13 ILE 95 2HD1 ILE 95 6.889 1.028 10.374 740 H VAL 96 H VAL 96 9.421 -0.952 6.854 741 HA VAL 96 HA VAL 96 8.876 -2.548 4.414 742 HB VAL 96 HB VAL 96 11.178 -3.201 4.470 743 HG11 VAL 96 1HG1 VAL 96 10.578 -1.014 3.424 744 HG12 VAL 96 2HG1 VAL 96 11.003 -0.191 4.935 745 HG13 VAL 96 3HG1 VAL 96 12.242 -1.067 4.016 746 HG21 VAL 96 3HG2 VAL 96 11.495 -1.540 7.011 747 HG22 VAL 96 1HG2 VAL 96 11.642 -3.306 6.887 748 HG23 VAL 96 2HG2 VAL 96 12.807 -2.268 6.067 749 H GLY 97 H GLY 97 8.818 -4.797 4.351 750 HA2 GLY 97 2HA GLY 97 8.754 -6.974 5.118 751 HA3 GLY 97 3HA GLY 97 9.178 -6.450 6.745 752 H ALA 98 H ALA 98 7.415 -8.368 6.649 753 HA ALA 98 HA ALA 98 4.672 -7.530 6.358 754 HB1 ALA 98 3HB ALA 98 5.896 -10.054 7.542 755 HB2 ALA 98 1HB ALA 98 4.159 -9.808 7.268 756 HB3 ALA 98 2HB ALA 98 5.264 -9.818 5.893 757 H LYS 99 H LYS 99 3.043 -7.393 7.901 758 HA LYS 99 HA LYS 99 3.608 -7.158 10.769 759 HB2 LYS 99 2HB LYS 99 2.747 -4.827 10.889 760 HB3 LYS 99 3HB LYS 99 4.305 -4.980 10.088 761 HG2 LYS 99 2HG LYS 99 3.181 -4.813 7.857 762 HG3 LYS 99 3HG LYS 99 1.624 -4.582 8.668 763 HD2 LYS 99 2HD LYS 99 4.070 -2.817 9.109 764 HD3 LYS 99 3HD LYS 99 2.846 -2.485 7.883 765 HE2 LYS 99 2HE LYS 99 1.099 -2.297 9.582 766 HE3 LYS 99 3HE LYS 99 2.215 -2.824 10.846 767 HZ1 LYS 99 3HZ LYS 99 3.494 -0.783 10.500 768 HZ2 LYS 99 1HZ LYS 99 1.937 -0.401 10.849 769 HZ3 LYS 99 2HZ LYS 99 2.466 -0.290 9.312 770 H GLY 100 H GLY 100 1.620 -6.648 12.035 771 HA2 GLY 100 2HA GLY 100 -0.685 -8.172 10.972 772 HA3 GLY 100 3HA GLY 100 -0.355 -7.784 12.658 773 H LYS 101 H LYS 101 -2.848 -7.397 11.601 774 HA LYS 101 HA LYS 101 -3.413 -4.920 10.449 775 HB2 LYS 101 2HB LYS 101 -4.818 -7.042 10.713 776 HB3 LYS 101 3HB LYS 101 -5.191 -6.517 12.364 777 HG2 LYS 101 2HG LYS 101 -6.317 -4.520 11.518 778 HG3 LYS 101 3HG LYS 101 -5.655 -4.814 9.902 779 HD2 LYS 101 2HD LYS 101 -7.950 -5.470 9.852 780 HD3 LYS 101 3HD LYS 101 -6.946 -6.938 9.771 781 HE2 LYS 101 2HE LYS 101 -7.360 -7.442 12.102 782 HE3 LYS 101 3HE LYS 101 -8.118 -5.867 12.369 783 HZ1 LYS 101 3HZ LYS 101 -9.199 -7.981 10.577 784 HZ2 LYS 101 1HZ LYS 101 -9.923 -6.538 10.879 785 HZ3 LYS 101 2HZ LYS 101 -9.774 -7.645 12.078 786 H ALA 102 H ALA 102 -2.847 -5.588 13.819 787 HA ALA 102 HA ALA 102 -4.021 -3.189 14.899 788 HB1 ALA 102 3HB ALA 102 -1.748 -4.931 15.962 789 HB2 ALA 102 1HB ALA 102 -2.670 -3.732 16.893 790 HB3 ALA 102 2HB ALA 102 -3.485 -5.173 16.261 791 H ALA 103 H ALA 103 -0.720 -3.898 13.685 792 HA ALA 103 HA ALA 103 0.303 -1.251 14.323 793 HB1 ALA 103 3HB ALA 103 2.315 -2.092 13.152 794 HB2 ALA 103 1HB ALA 103 1.719 -3.231 14.368 795 HB3 ALA 103 2HB ALA 103 1.406 -3.544 12.651 796 H LEU 104 H LEU 104 -1.169 -2.715 11.420 797 HA LEU 104 HA LEU 104 -0.560 -0.479 9.652 798 HB2 LEU 104 2HB LEU 104 -1.074 -2.764 8.872 799 HB3 LEU 104 3HB LEU 104 -2.724 -2.601 9.475 800 HG LEU 104 HG LEU 104 -3.231 -0.869 7.859 801 HD11 LEU 104 1HD1 LEU 104 -1.570 -0.221 6.110 802 HD12 LEU 104 2HD1 LEU 104 -0.295 -1.016 7.056 803 HD13 LEU 104 3HD1 LEU 104 -1.167 0.396 7.702 804 HD21 LEU 104 3HD2 LEU 104 -2.966 -2.104 5.764 805 HD22 LEU 104 1HD2 LEU 104 -3.323 -3.237 7.072 806 HD23 LEU 104 2HD2 LEU 104 -1.661 -3.084 6.469 807 H LEU 105 H LEU 105 -3.411 -1.341 11.686 808 HA LEU 105 HA LEU 105 -4.855 1.077 11.141 809 HB2 LEU 105 2HB LEU 105 -5.856 -1.003 11.995 810 HB3 LEU 105 3HB LEU 105 -4.937 -0.823 13.486 811 HG LEU 105 HG LEU 105 -6.211 1.191 14.086 812 HD11 LEU 105 1HD1 LEU 105 -8.221 1.833 12.754 813 HD12 LEU 105 2HD1 LEU 105 -7.703 0.720 11.465 814 HD13 LEU 105 3HD1 LEU 105 -6.720 2.144 11.892 815 HD21 LEU 105 3HD2 LEU 105 -8.389 0.125 14.450 816 HD22 LEU 105 1HD2 LEU 105 -7.077 -1.030 14.727 817 HD23 LEU 105 2HD2 LEU 105 -8.016 -1.106 13.220 818 H ARG 106 H ARG 106 -2.385 0.303 13.659 819 HA ARG 106 HA ARG 106 -2.578 2.806 15.042 820 HB2 ARG 106 2HB ARG 106 -1.377 0.805 15.891 821 HB3 ARG 106 3HB ARG 106 -0.120 1.041 14.665 822 HG2 ARG 106 2HG ARG 106 0.446 3.238 15.661 823 HG3 ARG 106 3HG ARG 106 -0.869 3.049 16.841 824 HD2 ARG 106 2HD ARG 106 0.237 1.023 17.742 825 HD3 ARG 106 3HD ARG 106 1.553 1.219 16.564 826 HE ARG 106 HE ARG 106 1.317 3.650 18.006 827 HH11 ARG 106 1HH2 ARG 106 2.301 0.360 18.706 828 HH12 ARG 106 2HH2 ARG 106 3.352 0.854 20.005 829 HH21 ARG 106 1HH1 ARG 106 2.676 4.210 19.673 830 HH22 ARG 106 2HH1 ARG 106 3.553 2.978 20.531 831 H GLU 107 H GLU 107 -0.386 1.890 12.300 832 HA GLU 107 HA GLU 107 0.609 4.570 12.093 833 HB2 GLU 107 2HB GLU 107 1.842 3.948 10.322 834 HB3 GLU 107 3HB GLU 107 1.632 2.412 11.112 835 HG2 GLU 107 2HG GLU 107 0.037 1.727 9.493 836 HG3 GLU 107 3HG GLU 107 -0.010 3.313 8.749 837 H LEU 108 H LEU 108 -2.317 3.109 10.704 838 HA LEU 108 HA LEU 108 -3.040 5.371 9.108 839 HB2 LEU 108 2HB LEU 108 -4.059 3.069 8.935 840 HB3 LEU 108 3HB LEU 108 -4.748 3.275 10.521 841 HG LEU 108 HG LEU 108 -6.239 5.031 9.808 842 HD11 LEU 108 1HD1 LEU 108 -6.444 5.601 7.369 843 HD12 LEU 108 2HD1 LEU 108 -4.884 4.783 7.099 844 HD13 LEU 108 3HD1 LEU 108 -4.976 6.223 8.123 845 HD21 LEU 108 3HD2 LEU 108 -7.634 3.708 8.286 846 HD22 LEU 108 1HD2 LEU 108 -6.925 2.691 9.543 847 HD23 LEU 108 2HD2 LEU 108 -6.246 2.660 7.904 848 H SER 109 H SER 109 -3.919 4.566 12.501 849 HA SER 109 HA SER 109 -5.515 6.915 12.851 850 HB2 SER 109 2HB SER 109 -4.205 5.024 14.839 851 HB3 SER 109 3HB SER 109 -5.260 6.368 15.317 852 HG SER 109 HG SER 109 -6.408 4.382 15.080 853 H ASP 110 H ASP 110 -2.061 6.439 12.986 854 HA ASP 110 HA ASP 110 -1.565 8.943 14.379 855 HB2 ASP 110 2HB ASP 110 0.008 6.910 14.131 856 HB3 ASP 110 3HB ASP 110 0.367 7.551 12.524 857 H VAL 111 H VAL 111 -2.802 8.407 11.288 858 HA VAL 111 HA VAL 111 -1.574 10.851 10.063 859 HB VAL 111 HB VAL 111 -2.269 8.130 8.903 860 HG11 VAL 111 1HG1 VAL 111 -1.263 10.613 7.443 861 HG12 VAL 111 2HG1 VAL 111 -1.359 8.987 6.744 862 HG13 VAL 111 3HG1 VAL 111 -2.842 9.823 7.194 863 HG21 VAL 111 3HG2 VAL 111 0.181 8.140 8.321 864 HG22 VAL 111 1HG2 VAL 111 0.351 9.693 9.169 865 HG23 VAL 111 2HG2 VAL 111 -0.094 8.237 10.063 866 H VAL 112 H VAL 112 -4.562 8.839 10.169 867 HA VAL 112 HA VAL 112 -5.986 10.461 8.345 868 HB VAL 112 HB VAL 112 -6.500 8.122 8.898 869 HG11 VAL 112 1HG1 VAL 112 -6.411 8.317 11.401 870 HG12 VAL 112 2HG1 VAL 112 -7.968 9.162 11.350 871 HG13 VAL 112 3HG1 VAL 112 -7.846 7.486 10.778 872 HG21 VAL 112 3HG2 VAL 112 -8.894 9.975 9.172 873 HG22 VAL 112 1HG2 VAL 112 -8.114 9.479 7.645 874 HG23 VAL 112 2HG2 VAL 112 -8.914 8.286 8.670 875 HA PRO 113 HA PRO 113 -7.211 14.005 10.784 876 HB2 PRO 113 2HB PRO 113 -9.722 13.946 9.111 877 HB3 PRO 113 3HB PRO 113 -8.652 15.332 9.496 878 HG2 PRO 113 2HG PRO 113 -8.492 14.134 7.077 879 HG3 PRO 113 3HG PRO 113 -6.985 14.557 7.956 880 HD2 PRO 113 2HD PRO 113 -8.393 11.877 7.817 881 HD3 PRO 113 3HD PRO 113 -6.660 12.252 7.583 882 H ASN 114 H ASN 114 -8.732 14.710 12.380 883 HA ASN 114 HA ASN 114 -10.970 12.955 13.158 884 HB2 ASN 114 2HB ASN 114 -9.026 12.012 14.351 885 HB3 ASN 114 3HB ASN 114 -8.590 13.615 14.947 886 HD21 ASN 114 1HD2 ASN 114 -8.712 12.731 17.132 887 HD22 ASN 114 2HD2 ASN 114 -10.311 12.696 17.883 888 H LEU 115 H LEU 115 -12.628 14.086 13.977 889 HA LEU 115 HA LEU 115 -12.493 17.024 14.096 890 HB2 LEU 115 2HB LEU 115 -14.235 15.779 12.828 891 HB3 LEU 115 3HB LEU 115 -14.808 15.063 14.333 892 HG LEU 115 HG LEU 115 -15.523 17.289 15.144 893 HD11 LEU 115 1HD1 LEU 115 -13.916 18.767 14.004 894 HD12 LEU 115 2HD1 LEU 115 -15.565 19.214 13.562 895 HD13 LEU 115 3HD1 LEU 115 -14.567 18.287 12.419 896 HD21 LEU 115 3HD2 LEU 115 -17.072 15.885 13.843 897 HD22 LEU 115 1HD2 LEU 115 -16.516 16.654 12.339 898 HD23 LEU 115 2HD2 LEU 115 -17.371 17.609 13.571 899 H ASN 116 H ASN 116 -12.385 14.414 16.362 900 HA ASN 116 HA ASN 116 -12.896 16.240 18.679 901 HB2 ASN 116 2HB ASN 116 -14.926 14.906 18.166 902 HB3 ASN 116 3HB ASN 116 -13.995 13.419 18.314 903 HD21 ASN 116 1HD2 ASN 116 -12.787 13.256 20.496 904 HD22 ASN 116 2HD2 ASN 116 -13.778 13.646 21.919 Start of MODEL 13 1 H1 MET 1 1H MET 1 -27.281 -5.663 -9.799 2 HA MET 1 HA MET 1 -27.933 -6.095 -7.543 3 HB2 MET 1 2HB MET 1 -27.276 -8.369 -7.355 4 HB3 MET 1 3HB MET 1 -27.500 -8.023 -9.058 5 HG2 MET 1 2HG MET 1 -24.812 -8.214 -7.629 6 HG3 MET 1 3HG MET 1 -25.568 -9.487 -8.571 7 HE1 MET 1 3HE MET 1 -22.471 -8.562 -10.751 8 HE2 MET 1 1HE MET 1 -22.563 -8.539 -8.977 9 HE3 MET 1 2HE MET 1 -23.341 -9.851 -9.891 10 H THR 2 H THR 2 -27.260 -6.825 -5.354 11 HA THR 2 HA THR 2 -25.200 -5.063 -4.275 12 HB THR 2 HB THR 2 -25.925 -6.108 -2.092 13 HG1 THR 2 HG1 THR 2 -27.776 -7.391 -2.179 14 HG21 THR 2 3HG2 THR 2 -26.973 -4.030 -2.960 15 HG22 THR 2 1HG2 THR 2 -28.120 -5.028 -2.051 16 HG23 THR 2 2HG2 THR 2 -28.182 -5.004 -3.827 17 H ASP 3 H ASP 3 -25.299 -8.432 -5.140 18 HA ASP 3 HA ASP 3 -23.879 -10.158 -4.988 19 HB2 ASP 3 2HB ASP 3 -22.652 -8.708 -6.512 20 HB3 ASP 3 3HB ASP 3 -21.747 -8.019 -5.166 21 H SER 4 H SER 4 -21.330 -8.545 -3.212 22 HA SER 4 HA SER 4 -22.154 -9.553 -0.593 23 HB2 SER 4 2HB SER 4 -21.193 -11.556 -1.827 24 HB3 SER 4 3HB SER 4 -19.643 -10.694 -1.877 25 HG SER 4 HG SER 4 -19.879 -12.138 -0.059 26 H GLU 5 H GLU 5 -20.394 -9.124 1.039 27 HA GLU 5 HA GLU 5 -19.445 -6.367 0.716 28 HB2 GLU 5 2HB GLU 5 -20.673 -7.206 2.722 29 HB3 GLU 5 3HB GLU 5 -19.264 -8.172 3.152 30 HG2 GLU 5 2HG GLU 5 -17.934 -6.135 3.372 31 HG3 GLU 5 3HG GLU 5 -19.284 -5.173 2.783 32 H LYS 6 H LYS 6 -18.009 -7.105 -1.047 33 HA LYS 6 HA LYS 6 -15.474 -8.416 -0.439 34 HB2 LYS 6 2HB LYS 6 -16.555 -6.868 -2.826 35 HB3 LYS 6 3HB LYS 6 -14.893 -7.461 -2.765 36 HG2 LYS 6 2HG LYS 6 -15.651 -9.767 -2.479 37 HG3 LYS 6 3HG LYS 6 -17.348 -9.244 -2.481 38 HD2 LYS 6 2HD LYS 6 -17.204 -8.506 -4.784 39 HD3 LYS 6 3HD LYS 6 -15.445 -8.674 -4.791 40 HE2 LYS 6 2HE LYS 6 -16.423 -10.497 -6.031 41 HE3 LYS 6 3HE LYS 6 -15.615 -11.110 -4.585 42 HZ1 LYS 6 3HZ LYS 6 -17.780 -11.343 -3.533 43 HZ2 LYS 6 1HZ LYS 6 -17.822 -12.118 -4.970 44 HZ3 LYS 6 2HZ LYS 6 -18.554 -10.665 -4.812 45 H SER 7 H SER 7 -13.380 -7.435 -0.827 46 HA SER 7 HA SER 7 -12.897 -5.158 0.859 47 HB2 SER 7 2HB SER 7 -10.517 -5.531 0.089 48 HB3 SER 7 3HB SER 7 -11.305 -6.918 0.856 49 HG SER 7 HG SER 7 -10.269 -7.625 -1.004 50 H ALA 8 H ALA 8 -12.554 -3.038 0.403 51 HA ALA 8 HA ALA 8 -12.919 -2.136 -2.357 52 HB1 ALA 8 3HB ALA 8 -13.203 0.059 -1.398 53 HB2 ALA 8 1HB ALA 8 -14.195 -1.114 -0.510 54 HB3 ALA 8 2HB ALA 8 -12.672 -0.515 0.190 55 H THR 9 H THR 9 -10.841 -3.209 -2.967 56 HA THR 9 HA THR 9 -8.469 -1.461 -2.488 57 HB THR 9 HB THR 9 -8.214 -3.479 -1.171 58 HG1 THR 9 HG1 THR 9 -6.385 -2.613 -2.065 59 HG21 THR 9 3HG2 THR 9 -7.897 -5.676 -2.198 60 HG22 THR 9 1HG2 THR 9 -8.363 -5.031 -3.789 61 HG23 THR 9 2HG2 THR 9 -9.547 -5.097 -2.468 62 H ILE 10 H ILE 10 -6.882 -1.365 -4.091 63 HA ILE 10 HA ILE 10 -7.770 -1.963 -6.881 64 HB ILE 10 HB ILE 10 -7.127 0.292 -7.577 65 HG12 ILE 10 2HG1 ILE 10 -6.792 0.935 -4.610 66 HG13 ILE 10 3HG1 ILE 10 -5.494 0.814 -5.803 67 HG21 ILE 10 1HG2 ILE 10 -9.488 -0.300 -6.955 68 HG22 ILE 10 2HG2 ILE 10 -9.211 0.447 -5.366 69 HG23 ILE 10 3HG2 ILE 10 -9.116 1.421 -6.847 70 HD11 ILE 10 3HD1 ILE 10 -7.696 2.909 -5.751 71 HD12 ILE 10 1HD1 ILE 10 -5.976 3.141 -5.426 72 HD13 ILE 10 2HD1 ILE 10 -6.506 2.722 -7.067 73 H LYS 11 H LYS 11 -6.022 -1.580 -8.491 74 HA LYS 11 HA LYS 11 -3.262 -2.005 -7.445 75 HB2 LYS 11 2HB LYS 11 -4.022 -4.071 -8.503 76 HB3 LYS 11 3HB LYS 11 -4.474 -3.191 -9.970 77 HG2 LYS 11 2HG LYS 11 -2.127 -2.598 -10.388 78 HG3 LYS 11 3HG LYS 11 -1.634 -3.342 -8.858 79 HD2 LYS 11 2HD LYS 11 -2.271 -5.557 -9.681 80 HD3 LYS 11 3HD LYS 11 -2.915 -4.852 -11.183 81 HE2 LYS 11 2HE LYS 11 -0.694 -4.024 -11.804 82 HE3 LYS 11 3HE LYS 11 -0.022 -4.561 -10.265 83 HZ1 LYS 11 3HZ LYS 11 -1.113 -6.370 -12.358 84 HZ2 LYS 11 1HZ LYS 11 -0.465 -6.864 -10.936 85 HZ3 LYS 11 2HZ LYS 11 0.477 -6.135 -12.050 86 H VAL 12 H VAL 12 -1.708 -0.700 -8.251 87 HA VAL 12 HA VAL 12 -2.489 1.442 -10.195 88 HB VAL 12 HB VAL 12 -1.249 3.065 -8.904 89 HG11 VAL 12 1HG1 VAL 12 -2.825 3.340 -7.075 90 HG12 VAL 12 2HG1 VAL 12 -3.681 2.696 -8.489 91 HG13 VAL 12 3HG1 VAL 12 -3.275 1.629 -7.135 92 HG21 VAL 12 3HG2 VAL 12 0.390 1.576 -7.744 93 HG22 VAL 12 1HG2 VAL 12 -0.458 2.667 -6.638 94 HG23 VAL 12 2HG2 VAL 12 -0.925 0.964 -6.720 95 H THR 13 H THR 13 -0.748 2.511 -11.305 96 HA THR 13 HA THR 13 1.847 1.093 -11.573 97 HB THR 13 HB THR 13 1.635 1.079 -14.036 98 HG1 THR 13 HG1 THR 13 -0.441 1.324 -14.935 99 HG21 THR 13 3HG2 THR 13 1.052 -0.987 -12.726 100 HG22 THR 13 1HG2 THR 13 0.262 -0.871 -14.309 101 HG23 THR 13 2HG2 THR 13 -0.658 -0.517 -12.831 102 H ASP 14 H ASP 14 3.390 2.244 -12.838 103 HA ASP 14 HA ASP 14 3.834 4.727 -11.833 104 HB2 ASP 14 2HB ASP 14 5.792 4.724 -13.117 105 HB3 ASP 14 3HB ASP 14 5.434 3.044 -12.861 106 H ALA 15 H ALA 15 2.098 4.148 -14.852 107 HA ALA 15 HA ALA 15 2.210 6.923 -15.752 108 HB1 ALA 15 3HB ALA 15 0.528 4.554 -16.676 109 HB2 ALA 15 1HB ALA 15 0.739 6.092 -17.539 110 HB3 ALA 15 2HB ALA 15 2.128 5.012 -17.312 111 H SER 16 H SER 16 0.204 5.210 -13.515 112 HA SER 16 HA SER 16 -1.975 7.262 -13.667 113 HB2 SER 16 2HB SER 16 -2.199 4.310 -13.004 114 HB3 SER 16 3HB SER 16 -3.526 5.492 -13.034 115 HG SER 16 HG SER 16 -3.360 4.282 -14.993 116 H PHE 17 H PHE 17 0.411 5.995 -11.577 117 HA PHE 17 HA PHE 17 -0.747 5.753 -9.107 118 HB2 PHE 17 2HB PHE 17 1.660 5.372 -9.862 119 HB3 PHE 17 3HB PHE 17 1.943 7.084 -9.628 120 HD1 PHE 17 HD2 PHE 17 1.757 8.054 -7.253 121 HD2 PHE 17 HD1 PHE 17 1.627 3.823 -8.076 122 HE1 PHE 17 HE2 PHE 17 2.293 7.569 -4.874 123 HE2 PHE 17 HE1 PHE 17 2.210 3.347 -5.716 124 HZ PHE 17 HZ PHE 17 2.532 5.220 -4.107 125 H ALA 18 H ALA 18 0.276 8.865 -10.588 126 HA ALA 18 HA ALA 18 -0.349 10.434 -8.296 127 HB1 ALA 18 3HB ALA 18 1.177 11.177 -10.067 128 HB2 ALA 18 1HB ALA 18 -0.174 11.238 -11.228 129 HB3 ALA 18 2HB ALA 18 -0.136 12.345 -9.838 130 H THR 19 H THR 19 -2.380 9.272 -10.935 131 HA THR 19 HA THR 19 -4.686 10.958 -10.228 132 HB THR 19 HB THR 19 -4.555 8.606 -12.155 133 HG1 THR 19 HG1 THR 19 -4.123 10.167 -13.727 134 HG21 THR 19 3HG2 THR 19 -6.351 9.871 -13.348 135 HG22 THR 19 1HG2 THR 19 -6.379 11.051 -12.017 136 HG23 THR 19 2HG2 THR 19 -6.853 9.360 -11.737 137 H ASP 20 H ASP 20 -3.548 7.685 -9.535 138 HA ASP 20 HA ASP 20 -6.142 6.884 -8.358 139 HB2 ASP 20 2HB ASP 20 -3.485 5.442 -8.648 140 HB3 ASP 20 3HB ASP 20 -4.932 4.744 -7.922 141 H VAL 21 H VAL 21 -2.823 7.491 -7.150 142 HA VAL 21 HA VAL 21 -3.717 7.043 -4.345 143 HB VAL 21 HB VAL 21 -0.907 7.431 -5.439 144 HG11 VAL 21 1HG1 VAL 21 -1.819 6.344 -2.749 145 HG12 VAL 21 2HG1 VAL 21 -0.150 6.531 -3.320 146 HG13 VAL 21 3HG1 VAL 21 -1.133 7.958 -3.012 147 HG21 VAL 21 3HG2 VAL 21 -0.659 4.983 -5.105 148 HG22 VAL 21 1HG2 VAL 21 -2.398 4.862 -4.752 149 HG23 VAL 21 2HG2 VAL 21 -1.826 5.368 -6.362 150 H LEU 22 H LEU 22 -1.840 9.483 -6.215 151 HA LEU 22 HA LEU 22 -1.777 11.209 -3.907 152 HB2 LEU 22 2HB LEU 22 -0.884 11.918 -6.710 153 HB3 LEU 22 3HB LEU 22 -0.414 12.705 -5.217 154 HG LEU 22 HG LEU 22 0.329 9.874 -6.052 155 HD11 LEU 22 1HD1 LEU 22 1.520 11.664 -7.269 156 HD12 LEU 22 2HD1 LEU 22 2.602 10.762 -6.196 157 HD13 LEU 22 3HD1 LEU 22 2.026 12.375 -5.721 158 HD21 LEU 22 3HD2 LEU 22 0.128 9.970 -3.589 159 HD22 LEU 22 1HD2 LEU 22 1.165 11.415 -3.560 160 HD23 LEU 22 2HD2 LEU 22 1.816 9.853 -4.083 161 H SER 23 H SER 23 -4.150 10.900 -6.294 162 HA SER 23 HA SER 23 -5.240 13.577 -6.288 163 HB2 SER 23 2HB SER 23 -7.204 12.457 -7.273 164 HB3 SER 23 3HB SER 23 -5.693 11.941 -8.048 165 HG SER 23 HG SER 23 -6.699 10.070 -7.632 166 H SER 24 H SER 24 -5.254 11.054 -3.914 167 HA SER 24 HA SER 24 -7.882 11.531 -2.809 168 HB2 SER 24 2HB SER 24 -6.768 9.332 -2.959 169 HB3 SER 24 3HB SER 24 -5.542 9.888 -1.806 170 HG SER 24 HG SER 24 -6.947 9.776 -0.222 171 H ASN 25 H ASN 25 -8.411 13.055 -1.390 172 HA ASN 25 HA ASN 25 -6.433 14.530 0.203 173 HB2 ASN 25 2HB ASN 25 -8.319 15.832 0.963 174 HB3 ASN 25 3HB ASN 25 -8.331 15.708 -0.790 175 HD21 ASN 25 1HD2 ASN 25 -10.604 16.536 0.558 176 HD22 ASN 25 2HD2 ASN 25 -11.816 15.269 0.430 177 H LYS 26 H LYS 26 -8.449 11.760 0.632 178 HA LYS 26 HA LYS 26 -8.128 11.639 3.578 179 HB2 LYS 26 2HB LYS 26 -9.481 9.631 3.461 180 HB3 LYS 26 3HB LYS 26 -10.255 10.885 2.497 181 HG2 LYS 26 2HG LYS 26 -9.399 9.914 0.446 182 HG3 LYS 26 3HG LYS 26 -8.443 8.718 1.354 183 HD2 LYS 26 2HD LYS 26 -10.733 7.891 2.252 184 HD3 LYS 26 3HD LYS 26 -11.416 8.804 0.892 185 HE2 LYS 26 2HE LYS 26 -9.334 6.599 0.738 186 HE3 LYS 26 3HE LYS 26 -11.025 6.465 0.264 187 HZ1 LYS 26 3HZ LYS 26 -9.000 8.215 -1.053 188 HZ2 LYS 26 1HZ LYS 26 -10.579 8.096 -1.497 189 HZ3 LYS 26 2HZ LYS 26 -9.598 6.790 -1.622 190 HA PRO 27 HA PRO 27 -4.436 9.210 3.590 191 HB2 PRO 27 2HB PRO 27 -5.734 6.974 5.100 192 HB3 PRO 27 3HB PRO 27 -4.272 7.913 5.506 193 HG2 PRO 27 2HG PRO 27 -6.628 8.350 6.800 194 HG3 PRO 27 3HG PRO 27 -5.558 9.716 6.357 195 HD2 PRO 27 2HD PRO 27 -8.004 8.702 4.907 196 HD3 PRO 27 3HD PRO 27 -7.557 10.387 5.307 197 H VAL 28 H VAL 28 -3.387 7.678 2.337 198 HA VAL 28 HA VAL 28 -4.944 5.384 1.259 199 HB VAL 28 HB VAL 28 -3.000 6.939 -0.479 200 HG11 VAL 28 1HG1 VAL 28 -4.841 4.560 -1.018 201 HG12 VAL 28 2HG1 VAL 28 -3.961 5.454 -2.269 202 HG13 VAL 28 3HG1 VAL 28 -3.066 4.553 -1.045 203 HG21 VAL 28 3HG2 VAL 28 -6.042 6.835 -0.566 204 HG22 VAL 28 1HG2 VAL 28 -5.031 8.256 -0.234 205 HG23 VAL 28 2HG2 VAL 28 -4.997 7.512 -1.837 206 H LEU 29 H LEU 29 -4.005 3.519 1.733 207 HA LEU 29 HA LEU 29 -1.102 3.411 2.408 208 HB2 LEU 29 2HB LEU 29 -3.215 2.282 3.702 209 HB3 LEU 29 3HB LEU 29 -3.003 1.067 2.489 210 HG LEU 29 HG LEU 29 -1.930 0.441 4.533 211 HD11 LEU 29 1HD1 LEU 29 0.223 -0.228 3.766 212 HD12 LEU 29 2HD1 LEU 29 0.318 1.086 2.594 213 HD13 LEU 29 3HD1 LEU 29 -0.850 -0.243 2.359 214 HD21 LEU 29 3HD2 LEU 29 -1.400 2.686 5.423 215 HD22 LEU 29 1HD2 LEU 29 -0.074 2.841 4.248 216 HD23 LEU 29 2HD2 LEU 29 -0.014 1.590 5.499 217 H VAL 30 H VAL 30 0.335 2.621 0.868 218 HA VAL 30 HA VAL 30 -0.806 0.972 -1.347 219 HB VAL 30 HB VAL 30 1.676 2.631 -1.695 220 HG11 VAL 30 1HG1 VAL 30 1.221 2.168 -4.085 221 HG12 VAL 30 2HG1 VAL 30 1.437 0.669 -3.186 222 HG13 VAL 30 3HG1 VAL 30 -0.197 1.205 -3.640 223 HG21 VAL 30 3HG2 VAL 30 -0.176 4.220 -1.395 224 HG22 VAL 30 1HG2 VAL 30 0.344 4.161 -3.079 225 HG23 VAL 30 2HG2 VAL 30 -1.146 3.337 -2.584 226 H ASP 31 H ASP 31 -0.127 -1.027 -1.445 227 HA ASP 31 HA ASP 31 2.292 -1.885 0.083 228 HB2 ASP 31 2HB ASP 31 0.192 -2.927 0.736 229 HB3 ASP 31 3HB ASP 31 -0.122 -3.417 -0.929 230 H PHE 32 H PHE 32 4.078 -2.227 -1.023 231 HA PHE 32 HA PHE 32 4.048 -2.773 -3.944 232 HB2 PHE 32 2HB PHE 32 6.196 -1.856 -2.015 233 HB3 PHE 32 3HB PHE 32 6.520 -2.365 -3.660 234 HD1 PHE 32 HD2 PHE 32 4.215 0.059 -1.839 235 HD2 PHE 32 HD1 PHE 32 6.705 -0.717 -5.277 236 HE1 PHE 32 HE2 PHE 32 3.705 2.311 -2.735 237 HE2 PHE 32 HE1 PHE 32 6.248 1.557 -6.112 238 HZ PHE 32 HZ PHE 32 4.706 3.069 -4.867 239 H TRP 33 H TRP 33 4.085 -4.845 -4.535 240 HA TRP 33 HA TRP 33 5.395 -6.908 -2.854 241 HB2 TRP 33 2HB TRP 33 3.443 -8.044 -2.327 242 HB3 TRP 33 3HB TRP 33 3.094 -6.378 -1.947 243 HD1 TRP 33 HD1 TRP 33 2.365 -6.077 -5.358 244 HE1 TRP 33 HE1 TRP 33 0.025 -6.813 -6.055 245 HE3 TRP 33 HE3 TRP 33 1.083 -8.694 -1.158 246 HZ2 TRP 33 HZ2 TRP 33 -2.128 -8.416 -4.958 247 HZ3 TRP 33 HZ3 TRP 33 -1.154 -9.740 -0.974 248 HH2 TRP 33 HH2 TRP 33 -2.774 -9.601 -2.847 249 H ALA 34 H ALA 34 4.987 -9.122 -3.662 250 HA ALA 34 HA ALA 34 4.348 -9.413 -6.527 251 HB1 ALA 34 3HB ALA 34 6.843 -9.402 -6.335 252 HB2 ALA 34 1HB ALA 34 6.743 -10.750 -5.185 253 HB3 ALA 34 2HB ALA 34 6.211 -10.961 -6.870 254 H THR 35 H THR 35 4.417 -12.178 -6.676 255 HA THR 35 HA THR 35 2.450 -13.015 -4.591 256 HB THR 35 HB THR 35 1.886 -13.113 -7.024 257 HG1 THR 35 HG1 THR 35 0.826 -15.081 -6.736 258 HG21 THR 35 3HG2 THR 35 4.011 -14.128 -7.879 259 HG22 THR 35 1HG2 THR 35 2.562 -15.039 -8.326 260 HG23 THR 35 2HG2 THR 35 3.605 -15.632 -7.019 261 H TRP 36 H TRP 36 5.751 -13.634 -5.449 262 HA TRP 36 HA TRP 36 5.816 -16.356 -4.398 263 HB2 TRP 36 2HB TRP 36 8.182 -16.243 -5.061 264 HB3 TRP 36 3HB TRP 36 7.091 -15.780 -6.353 265 HD1 TRP 36 HD1 TRP 36 7.374 -13.441 -7.409 266 HE1 TRP 36 HE1 TRP 36 8.984 -11.465 -7.090 267 HE3 TRP 36 HE3 TRP 36 9.772 -15.001 -3.146 268 HZ2 TRP 36 HZ2 TRP 36 10.940 -10.596 -5.163 269 HZ3 TRP 36 HZ3 TRP 36 11.506 -13.569 -2.093 270 HH2 TRP 36 HH2 TRP 36 12.086 -11.363 -3.079 271 H CYS 37 H CYS 37 6.409 -13.224 -2.980 272 HA CYS 37 HA CYS 37 8.367 -14.163 -1.062 273 HB2 CYS 37 2HB CYS 37 7.895 -11.725 -0.159 274 HB3 CYS 37 3HB CYS 37 8.874 -12.060 -1.570 275 H GLY 38 H GLY 38 8.168 -14.841 0.961 276 HA2 GLY 38 2HA GLY 38 5.788 -15.748 2.119 277 HA3 GLY 38 3HA GLY 38 7.284 -15.430 2.998 278 HA PRO 39 HA PRO 39 5.443 -12.022 5.071 279 HB2 PRO 39 2HB PRO 39 6.958 -9.748 4.758 280 HB3 PRO 39 3HB PRO 39 7.474 -11.173 5.703 281 HG2 PRO 39 2HG PRO 39 8.176 -10.508 2.826 282 HG3 PRO 39 3HG PRO 39 9.283 -10.982 4.154 283 HD2 PRO 39 2HD PRO 39 8.399 -12.786 2.364 284 HD3 PRO 39 3HD PRO 39 8.532 -13.233 4.090 285 H CYS 40 H CYS 40 5.909 -11.345 1.619 286 HA CYS 40 HA CYS 40 3.997 -9.135 1.611 287 HB2 CYS 40 2HB CYS 40 4.481 -8.873 -0.605 288 HB3 CYS 40 3HB CYS 40 5.997 -9.443 0.061 289 H LYS 41 H LYS 41 3.847 -12.650 0.925 290 HA LYS 41 HA LYS 41 1.034 -12.673 0.267 291 HB2 LYS 41 2HB LYS 41 2.807 -14.436 -0.257 292 HB3 LYS 41 3HB LYS 41 2.798 -14.867 1.445 293 HG2 LYS 41 2HG LYS 41 1.448 -16.438 0.275 294 HG3 LYS 41 3HG LYS 41 0.385 -15.458 1.275 295 HD2 LYS 41 2HD LYS 41 -0.628 -15.899 -0.900 296 HD3 LYS 41 3HD LYS 41 -0.327 -14.168 -0.732 297 HE2 LYS 41 2HE LYS 41 1.713 -14.363 -2.117 298 HE3 LYS 41 3HE LYS 41 1.523 -16.115 -2.192 299 HZ1 LYS 41 3HZ LYS 41 -0.547 -15.786 -3.419 300 HZ2 LYS 41 1HZ LYS 41 0.682 -15.045 -4.199 301 HZ3 LYS 41 2HZ LYS 41 -0.394 -14.158 -3.342 302 H MET 42 H MET 42 2.842 -12.964 3.323 303 HA MET 42 HA MET 42 0.745 -13.662 5.046 304 HB2 MET 42 2HB MET 42 3.170 -13.656 5.575 305 HB3 MET 42 3HB MET 42 3.144 -11.888 5.645 306 HG2 MET 42 2HG MET 42 1.579 -11.967 7.538 307 HG3 MET 42 3HG MET 42 1.529 -13.734 7.439 308 HE1 MET 42 3HE MET 42 2.030 -13.766 10.059 309 HE2 MET 42 1HE MET 42 3.428 -12.962 10.806 310 HE3 MET 42 2HE MET 42 2.132 -11.990 10.077 311 H VAL 43 H VAL 43 1.475 -10.383 3.798 312 HA VAL 43 HA VAL 43 -0.531 -9.173 5.572 313 HB VAL 43 HB VAL 43 -0.001 -7.054 4.465 314 HG11 VAL 43 1HG1 VAL 43 1.166 -7.788 6.486 315 HG12 VAL 43 2HG1 VAL 43 2.420 -8.571 5.490 316 HG13 VAL 43 3HG1 VAL 43 2.213 -6.804 5.444 317 HG21 VAL 43 3HG2 VAL 43 0.715 -7.918 2.231 318 HG22 VAL 43 1HG2 VAL 43 1.884 -6.817 2.971 319 HG23 VAL 43 2HG2 VAL 43 2.187 -8.561 2.992 320 H ALA 44 H ALA 44 -0.895 -10.901 2.705 321 HA ALA 44 HA ALA 44 -2.763 -9.362 1.283 322 HB1 ALA 44 3HB ALA 44 -1.672 -11.416 0.446 323 HB2 ALA 44 1HB ALA 44 -2.672 -12.394 1.526 324 HB3 ALA 44 2HB ALA 44 -3.435 -11.445 0.237 325 HA PRO 45 HA PRO 45 -6.446 -11.149 3.830 326 HB2 PRO 45 2HB PRO 45 -5.983 -12.080 6.388 327 HB3 PRO 45 3HB PRO 45 -6.047 -13.120 4.933 328 HG2 PRO 45 2HG PRO 45 -3.585 -11.953 6.277 329 HG3 PRO 45 3HG PRO 45 -3.872 -13.651 5.770 330 HD2 PRO 45 2HD PRO 45 -2.470 -11.993 4.203 331 HD3 PRO 45 3HD PRO 45 -3.670 -13.092 3.473 332 H VAL 46 H VAL 46 -3.704 -9.621 5.538 333 HA VAL 46 HA VAL 46 -5.310 -7.984 7.293 334 HB VAL 46 HB VAL 46 -2.415 -7.785 6.388 335 HG11 VAL 46 1HG1 VAL 46 -2.162 -6.246 8.392 336 HG12 VAL 46 2HG1 VAL 46 -2.994 -5.550 7.000 337 HG13 VAL 46 3HG1 VAL 46 -3.944 -6.108 8.388 338 HG21 VAL 46 3HG2 VAL 46 -2.967 -9.748 7.798 339 HG22 VAL 46 1HG2 VAL 46 -1.974 -8.595 8.686 340 HG23 VAL 46 2HG2 VAL 46 -3.719 -8.680 9.001 341 H LEU 47 H LEU 47 -3.670 -7.199 4.170 342 HA LEU 47 HA LEU 47 -4.752 -4.525 4.084 343 HB2 LEU 47 2HB LEU 47 -3.755 -4.330 1.969 344 HB3 LEU 47 3HB LEU 47 -2.689 -5.305 2.953 345 HG LEU 47 HG LEU 47 -3.866 -7.325 1.746 346 HD11 LEU 47 1HD1 LEU 47 -4.489 -6.833 -0.587 347 HD12 LEU 47 2HD1 LEU 47 -4.269 -5.087 -0.296 348 HD13 LEU 47 3HD1 LEU 47 -5.584 -5.969 0.478 349 HD21 LEU 47 3HD2 LEU 47 -1.908 -5.492 0.318 350 HD22 LEU 47 1HD2 LEU 47 -2.177 -7.208 -0.052 351 HD23 LEU 47 2HD2 LEU 47 -1.498 -6.740 1.511 352 H GLU 48 H GLU 48 -5.990 -7.659 2.790 353 HA GLU 48 HA GLU 48 -8.264 -6.440 1.486 354 HB2 GLU 48 2HB GLU 48 -7.743 -9.262 2.486 355 HB3 GLU 48 3HB GLU 48 -9.245 -8.773 1.696 356 HG2 GLU 48 2HG GLU 48 -7.988 -8.016 -0.297 357 HG3 GLU 48 3HG GLU 48 -6.479 -8.538 0.437 358 H GLU 49 H GLU 49 -7.842 -7.676 4.852 359 HA GLU 49 HA GLU 49 -10.584 -7.178 5.585 360 HB2 GLU 49 2HB GLU 49 -8.047 -7.571 7.192 361 HB3 GLU 49 3HB GLU 49 -9.578 -7.122 7.953 362 HG2 GLU 49 2HG GLU 49 -10.709 -9.072 7.047 363 HG3 GLU 49 3HG GLU 49 -9.277 -9.559 6.153 364 H ILE 50 H ILE 50 -7.648 -5.045 6.030 365 HA ILE 50 HA ILE 50 -9.177 -2.866 7.132 366 HB ILE 50 HB ILE 50 -6.660 -2.892 5.448 367 HG12 ILE 50 2HG1 ILE 50 -6.378 -4.003 7.629 368 HG13 ILE 50 3HG1 ILE 50 -5.405 -2.552 7.495 369 HG21 ILE 50 1HG2 ILE 50 -7.889 -0.534 6.929 370 HG22 ILE 50 2HG2 ILE 50 -6.207 -0.579 6.353 371 HG23 ILE 50 3HG2 ILE 50 -7.536 -0.671 5.200 372 HD11 ILE 50 3HD1 ILE 50 -8.006 -2.805 9.071 373 HD12 ILE 50 1HD1 ILE 50 -6.360 -2.720 9.724 374 HD13 ILE 50 2HD1 ILE 50 -7.044 -1.313 8.915 375 H ALA 51 H ALA 51 -8.482 -3.729 3.710 376 HA ALA 51 HA ALA 51 -9.810 -1.468 2.563 377 HB1 ALA 51 3HB ALA 51 -9.283 -4.261 1.470 378 HB2 ALA 51 1HB ALA 51 -9.770 -2.850 0.510 379 HB3 ALA 51 2HB ALA 51 -8.205 -2.860 1.338 380 H THR 52 H THR 52 -11.102 -4.578 3.786 381 HA THR 52 HA THR 52 -13.776 -4.101 2.672 382 HB THR 52 HB THR 52 -12.877 -5.965 4.919 383 HG1 THR 52 HG1 THR 52 -11.829 -6.510 3.059 384 HG21 THR 52 3HG2 THR 52 -15.367 -5.971 3.153 385 HG22 THR 52 1HG2 THR 52 -15.322 -5.705 4.912 386 HG23 THR 52 2HG2 THR 52 -14.893 -7.287 4.250 387 H GLU 53 H GLU 53 -12.132 -3.624 5.837 388 HA GLU 53 HA GLU 53 -14.665 -2.967 7.142 389 HB2 GLU 53 2HB GLU 53 -11.806 -3.093 8.181 390 HB3 GLU 53 3HB GLU 53 -13.239 -2.776 9.167 391 HG2 GLU 53 2HG GLU 53 -14.194 -4.973 8.243 392 HG3 GLU 53 3HG GLU 53 -12.606 -5.344 7.655 393 H ARG 54 H ARG 54 -11.852 -1.059 6.114 394 HA ARG 54 HA ARG 54 -13.070 1.389 7.349 395 HB2 ARG 54 2HB ARG 54 -10.135 0.891 6.772 396 HB3 ARG 54 3HB ARG 54 -10.846 2.240 7.653 397 HG2 ARG 54 2HG ARG 54 -10.730 -0.648 8.575 398 HG3 ARG 54 3HG ARG 54 -9.796 0.705 9.198 399 HD2 ARG 54 2HD ARG 54 -12.825 0.410 9.413 400 HD3 ARG 54 3HD ARG 54 -11.675 0.054 10.683 401 HE ARG 54 HE ARG 54 -12.358 2.773 9.601 402 HH11 ARG 54 1HH1 ARG 54 -10.791 0.974 12.188 403 HH12 ARG 54 2HH1 ARG 54 -10.683 2.400 13.186 404 HH21 ARG 54 1HH2 ARG 54 -12.215 4.420 10.840 405 HH22 ARG 54 2HH2 ARG 54 -11.462 4.357 12.436 406 H ALA 55 H ALA 55 -13.529 0.281 4.597 407 HA ALA 55 HA ALA 55 -12.376 1.815 2.571 408 HB1 ALA 55 3HB ALA 55 -13.863 -0.166 2.296 409 HB2 ALA 55 1HB ALA 55 -15.255 0.815 2.799 410 HB3 ALA 55 2HB ALA 55 -14.392 1.200 1.296 411 H THR 56 H THR 56 -14.833 2.874 4.878 412 HA THR 56 HA THR 56 -15.574 5.309 3.436 413 HB THR 56 HB THR 56 -16.773 5.808 5.611 414 HG1 THR 56 HG1 THR 56 -16.896 4.098 7.076 415 HG21 THR 56 3HG2 THR 56 -17.904 4.651 3.725 416 HG22 THR 56 1HG2 THR 56 -18.498 4.101 5.300 417 HG23 THR 56 2HG2 THR 56 -17.375 3.082 4.372 418 H ASP 57 H ASP 57 -12.984 4.452 5.559 419 HA ASP 57 HA ASP 57 -12.459 7.295 6.323 420 HB2 ASP 57 2HB ASP 57 -11.341 4.663 7.340 421 HB3 ASP 57 3HB ASP 57 -10.770 6.247 7.850 422 H LEU 58 H LEU 58 -10.962 4.502 4.643 423 HA LEU 58 HA LEU 58 -9.112 6.302 3.241 424 HB2 LEU 58 2HB LEU 58 -7.105 5.144 3.877 425 HB3 LEU 58 3HB LEU 58 -7.864 5.919 5.232 426 HG LEU 58 HG LEU 58 -6.703 3.790 5.650 427 HD11 LEU 58 1HD1 LEU 58 -8.398 4.670 7.218 428 HD12 LEU 58 2HD1 LEU 58 -8.247 2.903 7.259 429 HD13 LEU 58 3HD1 LEU 58 -9.609 3.651 6.408 430 HD21 LEU 58 3HD2 LEU 58 -9.039 2.336 4.411 431 HD22 LEU 58 1HD2 LEU 58 -7.610 1.659 5.202 432 HD23 LEU 58 2HD2 LEU 58 -7.423 2.508 3.665 433 H THR 59 H THR 59 -7.660 5.109 1.738 434 HA THR 59 HA THR 59 -9.016 2.767 0.434 435 HB THR 59 HB THR 59 -7.525 5.105 -0.779 436 HG1 THR 59 HG1 THR 59 -10.015 3.918 -1.387 437 HG21 THR 59 3HG2 THR 59 -8.294 2.485 -2.160 438 HG22 THR 59 1HG2 THR 59 -6.648 3.140 -1.982 439 HG23 THR 59 2HG2 THR 59 -7.822 3.984 -2.992 440 H VAL 60 H VAL 60 -7.770 0.972 -0.028 441 HA VAL 60 HA VAL 60 -4.846 1.122 0.579 442 HB VAL 60 HB VAL 60 -6.594 -1.297 1.023 443 HG11 VAL 60 1HG1 VAL 60 -4.512 -2.233 2.046 444 HG12 VAL 60 2HG1 VAL 60 -4.382 -1.997 0.300 445 HG13 VAL 60 3HG1 VAL 60 -3.606 -0.848 1.410 446 HG21 VAL 60 3HG2 VAL 60 -6.987 0.273 2.808 447 HG22 VAL 60 1HG2 VAL 60 -5.945 -1.017 3.411 448 HG23 VAL 60 2HG2 VAL 60 -5.246 0.566 3.006 449 H ALA 61 H ALA 61 -3.672 0.942 -1.123 450 HA ALA 61 HA ALA 61 -4.695 -0.313 -3.633 451 HB1 ALA 61 3HB ALA 61 -2.838 2.058 -3.189 452 HB2 ALA 61 1HB ALA 61 -3.327 1.415 -4.766 453 HB3 ALA 61 2HB ALA 61 -4.534 2.155 -3.690 454 H LYS 62 H LYS 62 -3.034 -1.161 -5.076 455 HA LYS 62 HA LYS 62 -0.636 -2.270 -3.644 456 HB2 LYS 62 2HB LYS 62 -2.549 -3.738 -5.484 457 HB3 LYS 62 3HB LYS 62 -1.082 -4.411 -4.754 458 HG2 LYS 62 2HG LYS 62 -2.002 -4.028 -2.486 459 HG3 LYS 62 3HG LYS 62 -3.492 -3.376 -3.170 460 HD2 LYS 62 2HD LYS 62 -2.424 -6.178 -3.499 461 HD3 LYS 62 3HD LYS 62 -3.778 -5.696 -2.494 462 HE2 LYS 62 2HE LYS 62 -3.668 -5.707 -5.532 463 HE3 LYS 62 3HE LYS 62 -4.637 -6.742 -4.482 464 HZ1 LYS 62 3HZ LYS 62 -5.788 -4.639 -3.724 465 HZ2 LYS 62 1HZ LYS 62 -6.038 -5.007 -5.306 466 HZ3 LYS 62 2HZ LYS 62 -4.998 -3.814 -4.880 467 H LEU 63 H LEU 63 1.193 -2.453 -4.694 468 HA LEU 63 HA LEU 63 1.292 -1.787 -7.605 469 HB2 LEU 63 2HB LEU 63 2.157 0.077 -6.266 470 HB3 LEU 63 3HB LEU 63 3.321 -0.984 -5.495 471 HG LEU 63 HG LEU 63 4.229 0.477 -7.251 472 HD11 LEU 63 1HD1 LEU 63 5.239 -1.845 -6.718 473 HD12 LEU 63 2HD1 LEU 63 5.784 -0.969 -8.163 474 HD13 LEU 63 3HD1 LEU 63 4.642 -2.292 -8.326 475 HD21 LEU 63 3HD2 LEU 63 3.916 0.024 -9.629 476 HD22 LEU 63 1HD2 LEU 63 2.422 0.553 -8.845 477 HD23 LEU 63 2HD2 LEU 63 2.666 -1.160 -9.260 478 H ASP 64 H ASP 64 2.082 -3.314 -8.800 479 HA ASP 64 HA ASP 64 3.152 -5.795 -7.541 480 HB2 ASP 64 2HB ASP 64 1.174 -5.928 -8.971 481 HB3 ASP 64 3HB ASP 64 2.088 -5.243 -10.312 482 H VAL 65 H VAL 65 5.294 -5.778 -7.304 483 HA VAL 65 HA VAL 65 6.963 -3.959 -8.789 484 HB VAL 65 HB VAL 65 8.802 -4.723 -7.505 485 HG11 VAL 65 1HG1 VAL 65 6.366 -4.755 -5.700 486 HG12 VAL 65 2HG1 VAL 65 8.035 -4.374 -5.241 487 HG13 VAL 65 3HG1 VAL 65 7.156 -3.303 -6.343 488 HG21 VAL 65 3HG2 VAL 65 7.116 -7.069 -6.567 489 HG22 VAL 65 1HG2 VAL 65 8.543 -7.159 -7.614 490 HG23 VAL 65 2HG2 VAL 65 8.714 -6.617 -5.944 491 H ASP 66 H ASP 66 5.888 -7.084 -9.647 492 HA ASP 66 HA ASP 66 8.209 -7.641 -11.414 493 HB2 ASP 66 2HB ASP 66 7.226 -9.485 -10.094 494 HB3 ASP 66 3HB ASP 66 5.683 -9.251 -10.918 495 H THR 67 H THR 67 4.685 -6.830 -11.666 496 HA THR 67 HA THR 67 4.955 -6.639 -14.602 497 HB THR 67 HB THR 67 2.634 -6.180 -14.742 498 HG1 THR 67 HG1 THR 67 2.313 -4.898 -12.938 499 HG21 THR 67 3HG2 THR 67 1.682 -8.193 -13.784 500 HG22 THR 67 1HG2 THR 67 3.053 -8.366 -12.669 501 HG23 THR 67 2HG2 THR 67 3.299 -8.542 -14.421 502 H ASN 68 H ASN 68 5.093 -4.364 -11.942 503 HA ASN 68 HA ASN 68 5.696 -2.246 -13.930 504 HB2 ASN 68 2HB ASN 68 3.272 -2.116 -13.191 505 HB3 ASN 68 3HB ASN 68 3.855 -1.729 -11.569 506 HD21 ASN 68 1HD2 ASN 68 4.065 -0.712 -15.014 507 HD22 ASN 68 2HD2 ASN 68 4.361 0.986 -14.657 508 HA PRO 69 HA PRO 69 8.910 -2.440 -10.554 509 HB2 PRO 69 2HB PRO 69 11.118 -2.485 -12.189 510 HB3 PRO 69 3HB PRO 69 10.222 -3.951 -11.701 511 HG2 PRO 69 2HG PRO 69 9.906 -2.349 -14.260 512 HG3 PRO 69 3HG PRO 69 10.119 -4.121 -14.084 513 HD2 PRO 69 2HD PRO 69 7.668 -3.040 -14.399 514 HD3 PRO 69 3HD PRO 69 7.916 -4.395 -13.257 515 H GLU 70 H GLU 70 8.110 -0.315 -13.204 516 HA GLU 70 HA GLU 70 10.082 1.712 -12.840 517 HB2 GLU 70 2HB GLU 70 7.232 1.932 -13.877 518 HB3 GLU 70 3HB GLU 70 8.508 3.125 -14.112 519 HG2 GLU 70 2HG GLU 70 8.361 0.318 -15.248 520 HG3 GLU 70 3HG GLU 70 8.236 1.831 -16.133 521 H THR 71 H THR 71 6.935 1.222 -11.184 522 HA THR 71 HA THR 71 7.339 3.642 -9.554 523 HB THR 71 HB THR 71 5.465 1.476 -8.799 524 HG1 THR 71 HG1 THR 71 4.837 1.873 -10.890 525 HG21 THR 71 3HG2 THR 71 5.740 3.447 -7.280 526 HG22 THR 71 1HG2 THR 71 4.113 3.310 -7.945 527 HG23 THR 71 2HG2 THR 71 5.246 4.507 -8.613 528 H ALA 72 H ALA 72 8.106 0.170 -9.285 529 HA ALA 72 HA ALA 72 8.636 0.156 -6.469 530 HB1 ALA 72 3HB ALA 72 9.890 -1.605 -8.613 531 HB2 ALA 72 1HB ALA 72 9.712 -1.965 -6.889 532 HB3 ALA 72 2HB ALA 72 8.272 -1.861 -7.920 533 H ARG 73 H ARG 73 10.755 0.944 -9.256 534 HA ARG 73 HA ARG 73 12.996 1.684 -7.503 535 HB2 ARG 73 2HB ARG 73 14.130 2.421 -9.459 536 HB3 ARG 73 3HB ARG 73 13.358 0.874 -9.806 537 HG2 ARG 73 2HG ARG 73 11.544 2.049 -11.019 538 HG3 ARG 73 3HG ARG 73 12.295 3.611 -10.654 539 HD2 ARG 73 2HD ARG 73 14.353 2.840 -11.894 540 HD3 ARG 73 3HD ARG 73 13.490 1.360 -12.319 541 HE ARG 73 HE ARG 73 12.182 2.530 -13.882 542 HH11 ARG 73 1HH2 ARG 73 14.041 4.952 -12.119 543 HH12 ARG 73 2HH2 ARG 73 13.547 6.203 -13.227 544 HH21 ARG 73 1HH1 ARG 73 11.613 4.051 -15.125 545 HH22 ARG 73 2HH1 ARG 73 12.184 5.715 -14.946 546 H ASN 74 H ASN 74 10.148 3.394 -8.588 547 HA ASN 74 HA ASN 74 11.043 6.071 -8.231 548 HB2 ASN 74 2HB ASN 74 8.767 5.176 -9.201 549 HB3 ASN 74 3HB ASN 74 8.241 5.101 -7.533 550 HD21 ASN 74 1HD2 ASN 74 7.635 7.001 -6.445 551 HD22 ASN 74 2HD2 ASN 74 7.734 8.569 -7.226 552 H PHE 75 H PHE 75 9.634 3.764 -5.903 553 HA PHE 75 HA PHE 75 10.369 5.539 -3.628 554 HB2 PHE 75 2HB PHE 75 8.465 3.189 -3.751 555 HB3 PHE 75 3HB PHE 75 8.805 4.157 -2.320 556 HD1 PHE 75 HD1 PHE 75 8.217 6.623 -2.275 557 HD2 PHE 75 HD2 PHE 75 6.941 4.001 -5.439 558 HE1 PHE 75 HE1 PHE 75 6.518 8.295 -2.973 559 HE2 PHE 75 HE2 PHE 75 5.212 5.664 -6.124 560 HZ PHE 75 HZ PHE 75 5.013 7.816 -4.897 561 H GLN 76 H GLN 76 12.056 3.401 -5.241 562 HA GLN 76 HA GLN 76 13.680 1.864 -4.835 563 HB2 GLN 76 2HB GLN 76 14.158 3.728 -2.492 564 HB3 GLN 76 3HB GLN 76 15.309 2.525 -3.097 565 HG2 GLN 76 2HG GLN 76 15.297 3.649 -5.324 566 HG3 GLN 76 3HG GLN 76 14.206 4.883 -4.692 567 HE21 GLN 76 1HE2 GLN 76 16.335 6.005 -5.713 568 HE22 GLN 76 2HE2 GLN 76 17.516 6.438 -4.482 569 H VAL 77 H VAL 77 11.790 0.409 -4.459 570 HA VAL 77 HA VAL 77 11.578 -0.816 -1.797 571 HB VAL 77 HB VAL 77 10.612 -1.846 -4.497 572 HG11 VAL 77 1HG1 VAL 77 9.028 -3.196 -3.132 573 HG12 VAL 77 2HG1 VAL 77 10.694 -3.662 -2.804 574 HG13 VAL 77 3HG1 VAL 77 9.825 -2.635 -1.650 575 HG21 VAL 77 3HG2 VAL 77 9.195 -0.249 -2.313 576 HG22 VAL 77 1HG2 VAL 77 9.558 0.315 -3.955 577 HG23 VAL 77 2HG2 VAL 77 8.411 -0.996 -3.717 578 H VAL 78 H VAL 78 13.705 -0.918 -1.358 579 HA VAL 78 HA VAL 78 15.341 -3.090 -2.470 580 HB VAL 78 HB VAL 78 16.926 -2.402 -0.733 581 HG11 VAL 78 1HG1 VAL 78 16.957 -1.368 -2.977 582 HG12 VAL 78 2HG1 VAL 78 15.902 -0.065 -2.388 583 HG13 VAL 78 3HG1 VAL 78 17.536 -0.259 -1.725 584 HG21 VAL 78 3HG2 VAL 78 15.402 -1.553 1.023 585 HG22 VAL 78 1HG2 VAL 78 16.636 -0.371 0.578 586 HG23 VAL 78 2HG2 VAL 78 14.982 -0.169 -0.018 587 H SER 79 H SER 79 13.075 -2.706 0.121 588 HA SER 79 HA SER 79 13.552 -5.513 1.032 589 HB2 SER 79 2HB SER 79 12.583 -3.158 2.695 590 HB3 SER 79 3HB SER 79 12.629 -4.850 3.226 591 HG SER 79 HG SER 79 14.493 -3.679 3.901 592 H ILE 80 H ILE 80 11.818 -6.827 0.894 593 HA ILE 80 HA ILE 80 9.262 -5.633 -0.022 594 HB ILE 80 HB ILE 80 10.502 -6.677 -1.764 595 HG12 ILE 80 2HG1 ILE 80 7.902 -8.125 -1.196 596 HG13 ILE 80 3HG1 ILE 80 8.078 -6.502 -1.884 597 HG21 ILE 80 1HG2 ILE 80 11.596 -8.527 -0.434 598 HG22 ILE 80 2HG2 ILE 80 10.040 -9.381 -0.437 599 HG23 ILE 80 3HG2 ILE 80 10.897 -9.062 -1.956 600 HD11 ILE 80 3HD1 ILE 80 9.327 -7.462 -3.814 601 HD12 ILE 80 1HD1 ILE 80 8.974 -9.091 -3.197 602 HD13 ILE 80 2HD1 ILE 80 7.649 -8.024 -3.686 603 HA PRO 81 HA PRO 81 7.098 -5.856 -0.082 604 HB2 PRO 81 2HB PRO 81 4.964 -5.262 1.433 605 HB3 PRO 81 3HB PRO 81 5.126 -6.856 0.629 606 HG2 PRO 81 2HG PRO 81 5.909 -6.106 3.460 607 HG3 PRO 81 3HG PRO 81 4.839 -7.462 2.960 608 HD2 PRO 81 2HD PRO 81 7.475 -7.832 3.473 609 HD3 PRO 81 3HD PRO 81 6.693 -8.684 2.115 610 H THR 82 H THR 82 6.735 -3.629 -0.084 611 HA THR 82 HA THR 82 7.641 -2.006 2.278 612 HB THR 82 HB THR 82 7.923 -1.482 -0.673 613 HG1 THR 82 HG1 THR 82 9.672 -2.186 0.659 614 HG21 THR 82 3HG2 THR 82 6.711 0.509 0.003 615 HG22 THR 82 1HG2 THR 82 8.414 0.910 -0.146 616 HG23 THR 82 2HG2 THR 82 7.702 0.665 1.472 617 H LEU 83 H LEU 83 6.017 -1.099 3.331 618 HA LEU 83 HA LEU 83 3.423 -0.567 1.948 619 HB2 LEU 83 2HB LEU 83 4.013 -1.248 4.854 620 HB3 LEU 83 3HB LEU 83 2.482 -0.617 4.260 621 HG LEU 83 HG LEU 83 2.567 -2.687 2.624 622 HD11 LEU 83 1HD1 LEU 83 4.823 -3.538 3.249 623 HD12 LEU 83 2HD1 LEU 83 3.576 -4.694 3.693 624 HD13 LEU 83 3HD1 LEU 83 4.313 -3.669 4.942 625 HD21 LEU 83 3HD2 LEU 83 1.386 -4.057 4.315 626 HD22 LEU 83 1HD2 LEU 83 0.865 -2.373 4.372 627 HD23 LEU 83 2HD2 LEU 83 1.991 -2.987 5.600 628 H ILE 84 H ILE 84 3.019 1.513 1.611 629 HA ILE 84 HA ILE 84 4.395 3.595 3.262 630 HB ILE 84 HB ILE 84 5.727 3.396 1.333 631 HG12 ILE 84 2HG1 ILE 84 5.403 5.528 0.070 632 HG13 ILE 84 3HG1 ILE 84 3.864 5.771 0.892 633 HG21 ILE 84 1HG2 ILE 84 4.333 2.114 -0.166 634 HG22 ILE 84 2HG2 ILE 84 3.214 3.479 -0.349 635 HG23 ILE 84 3HG2 ILE 84 4.868 3.575 -0.991 636 HD11 ILE 84 3HD1 ILE 84 5.033 5.934 3.047 637 HD12 ILE 84 1HD1 ILE 84 6.582 5.551 2.255 638 HD13 ILE 84 2HD1 ILE 84 5.733 7.063 1.885 639 H LEU 85 H LEU 85 3.202 5.153 4.002 640 HA LEU 85 HA LEU 85 0.324 5.265 3.279 641 HB2 LEU 85 2HB LEU 85 0.923 4.794 5.603 642 HB3 LEU 85 3HB LEU 85 1.930 6.238 5.669 643 HG LEU 85 HG LEU 85 -0.062 7.682 5.434 644 HD11 LEU 85 1HD1 LEU 85 -1.634 5.070 5.515 645 HD12 LEU 85 2HD1 LEU 85 -1.582 6.225 4.164 646 HD13 LEU 85 3HD1 LEU 85 -2.318 6.701 5.688 647 HD21 LEU 85 3HD2 LEU 85 -0.217 5.555 7.607 648 HD22 LEU 85 1HD2 LEU 85 -1.054 7.113 7.651 649 HD23 LEU 85 2HD2 LEU 85 0.711 7.069 7.664 650 H PHE 86 H PHE 86 -0.534 6.952 2.258 651 HA PHE 86 HA PHE 86 0.973 9.522 2.013 652 HB2 PHE 86 2HB PHE 86 -0.980 8.244 0.067 653 HB3 PHE 86 3HB PHE 86 -0.251 9.830 -0.119 654 HD1 PHE 86 HD2 PHE 86 0.383 6.183 -0.205 655 HD2 PHE 86 HD1 PHE 86 2.040 10.102 -0.888 656 HE1 PHE 86 HE2 PHE 86 2.265 5.175 -1.471 657 HE2 PHE 86 HE1 PHE 86 3.947 9.084 -2.112 658 HZ PHE 86 HZ PHE 86 4.060 6.612 -2.401 659 H LYS 87 H LYS 87 -0.160 11.431 2.132 660 HA LYS 87 HA LYS 87 -3.082 11.453 2.636 661 HB2 LYS 87 2HB LYS 87 -1.868 11.376 4.861 662 HB3 LYS 87 3HB LYS 87 -1.047 12.869 4.425 663 HG2 LYS 87 2HG LYS 87 -2.840 13.407 5.904 664 HG3 LYS 87 3HG LYS 87 -3.286 14.021 4.310 665 HD2 LYS 87 2HD LYS 87 -4.825 12.127 3.977 666 HD3 LYS 87 3HD LYS 87 -4.205 11.342 5.433 667 HE2 LYS 87 2HE LYS 87 -6.314 12.293 6.006 668 HE3 LYS 87 3HE LYS 87 -5.067 13.235 6.819 669 HZ1 LYS 87 3HZ LYS 87 -5.335 14.964 5.145 670 HZ2 LYS 87 1HZ LYS 87 -6.846 14.594 5.668 671 HZ3 LYS 87 2HZ LYS 87 -6.335 14.040 4.232 672 H ASP 88 H ASP 88 -4.007 13.027 1.450 673 HA ASP 88 HA ASP 88 -4.243 14.666 -0.083 674 HB2 ASP 88 2HB ASP 88 -4.179 15.836 2.119 675 HB3 ASP 88 3HB ASP 88 -2.495 16.259 1.807 676 H GLY 89 H GLY 89 -2.277 12.885 -0.900 677 HA2 GLY 89 2HA GLY 89 -0.899 12.628 -2.696 678 HA3 GLY 89 3HA GLY 89 -1.003 14.344 -3.052 679 H GLN 90 H GLN 90 0.165 13.547 0.147 680 HA GLN 90 HA GLN 90 3.000 13.529 -0.775 681 HB2 GLN 90 2HB GLN 90 1.858 14.949 1.662 682 HB3 GLN 90 3HB GLN 90 3.579 14.742 1.319 683 HG2 GLN 90 2HG GLN 90 3.285 16.003 -0.825 684 HG3 GLN 90 3HG GLN 90 1.590 16.283 -0.409 685 HE21 GLN 90 1HE2 GLN 90 4.967 16.980 0.646 686 HE22 GLN 90 2HE2 GLN 90 4.515 18.408 1.565 687 HA PRO 91 HA PRO 91 3.196 9.804 1.724 688 HB2 PRO 91 2HB PRO 91 5.885 9.504 2.064 689 HB3 PRO 91 3HB PRO 91 5.061 9.226 0.498 690 HG2 PRO 91 2HG PRO 91 6.519 11.722 1.424 691 HG3 PRO 91 3HG PRO 91 6.685 10.859 -0.138 692 HD2 PRO 91 2HD PRO 91 5.095 13.060 0.151 693 HD3 PRO 91 3HD PRO 91 4.637 11.710 -0.931 694 H VAL 92 H VAL 92 3.228 9.280 3.866 695 HA VAL 92 HA VAL 92 4.013 11.402 5.837 696 HB VAL 92 HB VAL 92 1.892 9.253 6.187 697 HG11 VAL 92 1HG1 VAL 92 2.842 9.931 8.325 698 HG12 VAL 92 2HG1 VAL 92 2.716 11.647 7.884 699 HG13 VAL 92 3HG1 VAL 92 1.255 10.671 8.141 700 HG21 VAL 92 3HG2 VAL 92 0.315 11.207 6.040 701 HG22 VAL 92 1HG2 VAL 92 1.671 12.234 5.539 702 HG23 VAL 92 2HG2 VAL 92 1.137 10.887 4.513 703 H LYS 93 H LYS 93 3.831 7.792 5.605 704 HA LYS 93 HA LYS 93 6.477 7.577 6.787 705 HB2 LYS 93 2HB LYS 93 5.963 6.411 8.779 706 HB3 LYS 93 3HB LYS 93 5.080 7.930 8.810 707 HG2 LYS 93 2HG LYS 93 3.012 6.629 8.044 708 HG3 LYS 93 3HG LYS 93 3.943 5.150 8.302 709 HD2 LYS 93 2HD LYS 93 3.088 7.206 10.374 710 HD3 LYS 93 3HD LYS 93 2.614 5.505 10.265 711 HE2 LYS 93 2HE LYS 93 5.038 4.884 10.660 712 HE3 LYS 93 3HE LYS 93 5.378 6.607 10.907 713 HZ1 LYS 93 3HZ LYS 93 5.062 5.586 13.017 714 HZ2 LYS 93 1HZ LYS 93 3.656 4.891 12.604 715 HZ3 LYS 93 2HZ LYS 93 3.754 6.540 12.772 716 H ARG 94 H ARG 94 7.385 5.530 6.787 717 HA ARG 94 HA ARG 94 6.144 3.538 4.923 718 HB2 ARG 94 2HB ARG 94 8.010 4.886 3.954 719 HB3 ARG 94 3HB ARG 94 9.075 4.307 5.234 720 HG2 ARG 94 2HG ARG 94 8.810 1.971 4.405 721 HG3 ARG 94 3HG ARG 94 7.711 2.555 3.135 722 HD2 ARG 94 2HD ARG 94 9.514 3.984 2.242 723 HD3 ARG 94 3HD ARG 94 10.612 3.423 3.518 724 HE ARG 94 HE ARG 94 9.816 1.079 2.275 725 HH11 ARG 94 1HH1 ARG 94 11.367 3.999 1.114 726 HH12 ARG 94 2HH1 ARG 94 11.867 3.217 -0.364 727 HH21 ARG 94 1HH2 ARG 94 10.702 0.131 0.461 728 HH22 ARG 94 2HH2 ARG 94 11.858 1.066 -0.502 729 H ILE 95 H ILE 95 6.241 1.457 5.390 730 HA ILE 95 HA ILE 95 7.872 0.441 7.642 731 HB ILE 95 HB ILE 95 5.742 -1.278 7.677 732 HG12 ILE 95 2HG1 ILE 95 4.305 0.311 6.344 733 HG13 ILE 95 3HG1 ILE 95 3.668 -0.341 7.838 734 HG21 ILE 95 1HG2 ILE 95 5.279 -0.354 9.901 735 HG22 ILE 95 2HG2 ILE 95 7.010 -0.561 9.570 736 HG23 ILE 95 3HG2 ILE 95 6.286 1.060 9.510 737 HD11 ILE 95 3HD1 ILE 95 4.078 1.832 8.972 738 HD12 ILE 95 1HD1 ILE 95 4.657 2.515 7.442 739 HD13 ILE 95 2HD1 ILE 95 2.990 1.958 7.587 740 H VAL 96 H VAL 96 8.726 -1.618 7.347 741 HA VAL 96 HA VAL 96 8.313 -2.893 4.686 742 HB VAL 96 HB VAL 96 10.710 -3.459 4.685 743 HG11 VAL 96 1HG1 VAL 96 9.823 -1.591 3.341 744 HG12 VAL 96 2HG1 VAL 96 10.157 -0.465 4.674 745 HG13 VAL 96 3HG1 VAL 96 11.493 -1.297 3.854 746 HG21 VAL 96 3HG2 VAL 96 12.324 -2.207 6.008 747 HG22 VAL 96 1HG2 VAL 96 11.028 -1.365 6.875 748 HG23 VAL 96 2HG2 VAL 96 11.255 -3.118 7.084 749 H GLY 97 H GLY 97 8.540 -5.106 4.571 750 HA2 GLY 97 2HA GLY 97 8.545 -7.321 5.375 751 HA3 GLY 97 3HA GLY 97 8.808 -6.744 7.018 752 H ALA 98 H ALA 98 7.068 -8.431 7.294 753 HA ALA 98 HA ALA 98 4.357 -7.637 6.521 754 HB1 ALA 98 3HB ALA 98 5.050 -10.011 6.417 755 HB2 ALA 98 1HB ALA 98 5.331 -10.017 8.171 756 HB3 ALA 98 2HB ALA 98 3.691 -9.803 7.526 757 H LYS 99 H LYS 99 2.569 -7.594 7.855 758 HA LYS 99 HA LYS 99 2.920 -6.297 10.516 759 HB2 LYS 99 2HB LYS 99 1.082 -5.246 8.318 760 HB3 LYS 99 3HB LYS 99 1.466 -4.471 9.849 761 HG2 LYS 99 2HG LYS 99 3.343 -4.837 7.469 762 HG3 LYS 99 3HG LYS 99 2.528 -3.356 7.929 763 HD2 LYS 99 2HD LYS 99 4.038 -2.820 9.493 764 HD3 LYS 99 3HD LYS 99 4.126 -4.440 10.160 765 HE2 LYS 99 2HE LYS 99 5.492 -5.045 8.065 766 HE3 LYS 99 3HE LYS 99 5.623 -3.320 7.756 767 HZ1 LYS 99 3HZ LYS 99 7.519 -4.111 9.012 768 HZ2 LYS 99 1HZ LYS 99 6.574 -4.789 10.163 769 HZ3 LYS 99 2HZ LYS 99 6.651 -3.157 10.031 770 H GLY 100 H GLY 100 1.093 -6.440 11.867 771 HA2 GLY 100 2HA GLY 100 -1.082 -8.336 11.120 772 HA3 GLY 100 3HA GLY 100 -0.736 -7.727 12.741 773 H LYS 101 H LYS 101 -3.305 -7.561 11.469 774 HA LYS 101 HA LYS 101 -3.887 -5.099 10.242 775 HB2 LYS 101 2HB LYS 101 -5.259 -7.247 10.534 776 HB3 LYS 101 3HB LYS 101 -5.676 -6.668 12.154 777 HG2 LYS 101 2HG LYS 101 -6.758 -4.675 11.173 778 HG3 LYS 101 3HG LYS 101 -6.144 -5.132 9.569 779 HD2 LYS 101 2HD LYS 101 -8.436 -5.766 9.651 780 HD3 LYS 101 3HD LYS 101 -7.443 -7.246 9.693 781 HE2 LYS 101 2HE LYS 101 -7.810 -7.517 12.068 782 HE3 LYS 101 3HE LYS 101 -8.550 -5.915 12.197 783 HZ1 LYS 101 3HZ LYS 101 -10.384 -6.712 10.806 784 HZ2 LYS 101 1HZ LYS 101 -10.229 -7.693 12.112 785 HZ3 LYS 101 2HZ LYS 101 -9.681 -8.185 10.643 786 H ALA 102 H ALA 102 -3.463 -5.770 13.653 787 HA ALA 102 HA ALA 102 -4.560 -3.249 14.600 788 HB1 ALA 102 3HB ALA 102 -2.654 -5.227 15.934 789 HB2 ALA 102 1HB ALA 102 -3.529 -3.909 16.741 790 HB3 ALA 102 2HB ALA 102 -4.431 -5.256 16.022 791 H ALA 103 H ALA 103 -1.229 -4.383 13.873 792 HA ALA 103 HA ALA 103 0.082 -1.928 14.593 793 HB1 ALA 103 3HB ALA 103 2.002 -2.916 13.410 794 HB2 ALA 103 1HB ALA 103 1.232 -4.109 14.474 795 HB3 ALA 103 2HB ALA 103 0.956 -4.173 12.717 796 H LEU 104 H LEU 104 -1.008 -3.218 11.387 797 HA LEU 104 HA LEU 104 -0.152 -0.947 9.894 798 HB2 LEU 104 2HB LEU 104 -0.738 -3.185 8.964 799 HB3 LEU 104 3HB LEU 104 -2.435 -2.869 9.320 800 HG LEU 104 HG LEU 104 -2.408 -0.941 7.731 801 HD11 LEU 104 1HD1 LEU 104 0.465 -1.834 7.224 802 HD12 LEU 104 2HD1 LEU 104 -0.077 -0.237 7.795 803 HD13 LEU 104 3HD1 LEU 104 -0.455 -0.758 6.153 804 HD21 LEU 104 3HD2 LEU 104 -1.357 -3.540 6.541 805 HD22 LEU 104 1HD2 LEU 104 -2.235 -2.263 5.668 806 HD23 LEU 104 2HD2 LEU 104 -3.053 -3.177 6.942 807 H LEU 105 H LEU 105 -3.328 -1.598 11.500 808 HA LEU 105 HA LEU 105 -4.519 0.867 10.665 809 HB2 LEU 105 2HB LEU 105 -5.767 -1.123 11.419 810 HB3 LEU 105 3HB LEU 105 -5.139 -0.892 13.052 811 HG LEU 105 HG LEU 105 -6.359 1.247 13.242 812 HD11 LEU 105 1HD1 LEU 105 -8.068 1.851 11.531 813 HD12 LEU 105 2HD1 LEU 105 -7.423 0.590 10.454 814 HD13 LEU 105 3HD1 LEU 105 -6.429 1.998 10.901 815 HD21 LEU 105 3HD2 LEU 105 -8.123 -1.037 12.268 816 HD22 LEU 105 1HD2 LEU 105 -8.610 0.305 13.333 817 HD23 LEU 105 2HD2 LEU 105 -7.432 -0.885 13.899 818 H ARG 106 H ARG 106 -2.492 0.096 13.543 819 HA ARG 106 HA ARG 106 -2.750 2.661 14.815 820 HB2 ARG 106 2HB ARG 106 -1.685 0.501 15.707 821 HB3 ARG 106 3HB ARG 106 -0.234 0.932 14.817 822 HG2 ARG 106 2HG ARG 106 -1.581 2.594 16.992 823 HG3 ARG 106 3HG ARG 106 -0.227 1.509 17.242 824 HD2 ARG 106 2HD ARG 106 -0.193 4.107 15.657 825 HD3 ARG 106 3HD ARG 106 0.516 3.825 17.224 826 HE ARG 106 HE ARG 106 1.692 3.167 14.644 827 HH11 ARG 106 1HH1 ARG 106 1.821 2.183 18.026 828 HH12 ARG 106 2HH1 ARG 106 3.460 1.618 17.854 829 HH21 ARG 106 1HH2 ARG 106 3.670 2.521 14.530 830 HH22 ARG 106 2HH2 ARG 106 4.509 1.784 15.895 831 H GLU 107 H GLU 107 -0.369 1.501 12.389 832 HA GLU 107 HA GLU 107 0.939 4.029 12.050 833 HB2 GLU 107 2HB GLU 107 0.595 1.736 10.068 834 HB3 GLU 107 3HB GLU 107 1.741 3.060 9.902 835 HG2 GLU 107 2HG GLU 107 1.786 1.101 12.188 836 HG3 GLU 107 3HG GLU 107 2.737 0.932 10.731 837 H LEU 108 H LEU 108 -1.987 2.750 10.468 838 HA LEU 108 HA LEU 108 -2.351 5.050 8.777 839 HB2 LEU 108 2HB LEU 108 -3.684 2.522 9.357 840 HB3 LEU 108 3HB LEU 108 -4.884 3.786 9.348 841 HG LEU 108 HG LEU 108 -2.836 3.395 7.121 842 HD11 LEU 108 1HD1 LEU 108 -4.676 2.311 5.859 843 HD12 LEU 108 2HD1 LEU 108 -5.692 2.360 7.322 844 HD13 LEU 108 3HD1 LEU 108 -4.209 1.385 7.295 845 HD21 LEU 108 3HD2 LEU 108 -5.467 4.937 7.234 846 HD22 LEU 108 1HD2 LEU 108 -4.429 4.752 5.796 847 HD23 LEU 108 2HD2 LEU 108 -3.851 5.653 7.205 848 H SER 109 H SER 109 -3.461 4.361 12.080 849 HA SER 109 HA SER 109 -5.048 6.756 12.383 850 HB2 SER 109 2HB SER 109 -5.171 4.671 13.787 851 HB3 SER 109 3HB SER 109 -3.625 5.130 14.526 852 HG SER 109 HG SER 109 -5.467 5.832 15.740 853 H ASP 110 H ASP 110 -1.603 6.080 12.638 854 HA ASP 110 HA ASP 110 -0.877 8.535 13.958 855 HB2 ASP 110 2HB ASP 110 0.376 6.289 13.911 856 HB3 ASP 110 3HB ASP 110 0.947 6.768 12.307 857 H VAL 111 H VAL 111 -2.221 8.429 11.017 858 HA VAL 111 HA VAL 111 -0.437 9.863 9.322 859 HB VAL 111 HB VAL 111 -2.410 8.479 8.695 860 HG11 VAL 111 1HG1 VAL 111 -4.072 10.972 9.194 861 HG12 VAL 111 2HG1 VAL 111 -4.619 9.408 8.556 862 HG13 VAL 111 3HG1 VAL 111 -4.084 9.530 10.234 863 HG21 VAL 111 3HG2 VAL 111 -2.414 11.160 7.320 864 HG22 VAL 111 1HG2 VAL 111 -1.225 9.849 7.053 865 HG23 VAL 111 2HG2 VAL 111 -2.930 9.595 6.680 866 H VAL 112 H VAL 112 -0.904 11.999 8.410 867 HA VAL 112 HA VAL 112 -0.754 14.089 10.374 868 HB VAL 112 HB VAL 112 -1.279 14.335 7.395 869 HG11 VAL 112 1HG1 VAL 112 -0.381 16.638 7.674 870 HG12 VAL 112 2HG1 VAL 112 -1.898 16.419 8.542 871 HG13 VAL 112 3HG1 VAL 112 -0.357 16.411 9.435 872 HG21 VAL 112 3HG2 VAL 112 1.308 14.500 9.002 873 HG22 VAL 112 1HG2 VAL 112 0.865 13.222 7.850 874 HG23 VAL 112 2HG2 VAL 112 1.141 14.862 7.269 875 HA PRO 113 HA PRO 113 -5.143 14.377 11.197 876 HB2 PRO 113 2HB PRO 113 -4.487 17.179 12.103 877 HB3 PRO 113 3HB PRO 113 -5.462 15.924 12.927 878 HG2 PRO 113 2HG PRO 113 -2.912 16.393 13.710 879 HG3 PRO 113 3HG PRO 113 -3.505 14.705 13.552 880 HD2 PRO 113 2HD PRO 113 -1.834 16.299 11.589 881 HD3 PRO 113 3HD PRO 113 -1.632 14.614 12.162 882 H ASN 114 H ASN 114 -7.048 15.261 10.310 883 HA ASN 114 HA ASN 114 -6.681 16.258 7.663 884 HB2 ASN 114 2HB ASN 114 -8.483 14.654 8.642 885 HB3 ASN 114 3HB ASN 114 -9.347 16.118 9.115 886 HD21 ASN 114 1HD2 ASN 114 -10.950 16.521 7.574 887 HD22 ASN 114 2HD2 ASN 114 -10.726 16.268 5.849 888 H LEU 115 H LEU 115 -6.927 18.028 10.535 889 HA LEU 115 HA LEU 115 -7.684 20.553 9.126 890 HB2 LEU 115 2HB LEU 115 -7.787 19.863 12.084 891 HB3 LEU 115 3HB LEU 115 -8.271 21.397 11.368 892 HG LEU 115 HG LEU 115 -9.643 18.720 10.872 893 HD11 LEU 115 1HD1 LEU 115 -9.989 19.615 13.142 894 HD12 LEU 115 2HD1 LEU 115 -11.475 19.689 12.182 895 HD13 LEU 115 3HD1 LEU 115 -10.522 21.166 12.457 896 HD21 LEU 115 3HD2 LEU 115 -11.415 20.093 9.798 897 HD22 LEU 115 1HD2 LEU 115 -9.895 20.173 8.903 898 HD23 LEU 115 2HD2 LEU 115 -10.381 21.532 9.943 899 H ASN 116 H ASN 116 -4.921 19.037 9.613 900 HA ASN 116 HA ASN 116 -3.336 21.181 10.892 901 HB2 ASN 116 2HB ASN 116 -2.884 18.841 11.468 902 HB3 ASN 116 3HB ASN 116 -2.587 18.450 9.775 903 HD21 ASN 116 1HD2 ASN 116 -0.821 19.839 8.737 904 HD22 ASN 116 2HD2 ASN 116 0.651 20.016 9.711 Start of MODEL 14 1 H1 MET 1 1H MET 1 -24.284 -16.162 -8.094 2 HA MET 1 HA MET 1 -25.582 -13.646 -8.915 3 HB2 MET 1 2HB MET 1 -25.362 -14.914 -6.146 4 HB3 MET 1 3HB MET 1 -25.893 -13.261 -6.455 5 HG2 MET 1 2HG MET 1 -27.295 -15.788 -7.391 6 HG3 MET 1 3HG MET 1 -27.806 -14.695 -6.111 7 HE1 MET 1 3HE MET 1 -30.228 -14.567 -7.125 8 HE2 MET 1 1HE MET 1 -30.574 -14.164 -8.821 9 HE3 MET 1 2HE MET 1 -29.734 -15.679 -8.423 10 H THR 2 H THR 2 -24.596 -11.696 -8.047 11 HA THR 2 HA THR 2 -21.687 -11.751 -8.176 12 HB THR 2 HB THR 2 -21.990 -9.239 -7.808 13 HG1 THR 2 HG1 THR 2 -24.088 -8.475 -8.072 14 HG21 THR 2 3HG2 THR 2 -21.754 -10.237 -10.063 15 HG22 THR 2 1HG2 THR 2 -22.840 -8.839 -10.066 16 HG23 THR 2 2HG2 THR 2 -23.514 -10.482 -10.138 17 H ASP 3 H ASP 3 -20.820 -11.002 -4.740 18 HA ASP 3 HA ASP 3 -19.995 -10.675 -7.598 19 HB2 ASP 3 2HB ASP 3 -18.632 -8.829 -6.991 20 HB3 ASP 3 3HB ASP 3 -20.271 -8.503 -6.459 21 H SER 4 H SER 4 -17.618 -10.777 -7.889 22 HA SER 4 HA SER 4 -16.636 -13.311 -6.908 23 HB2 SER 4 2HB SER 4 -15.316 -11.310 -8.770 24 HB3 SER 4 3HB SER 4 -14.862 -13.011 -8.541 25 HG SER 4 HG SER 4 -16.198 -12.718 -10.384 26 H GLU 5 H GLU 5 -16.785 -11.729 -4.709 27 HA GLU 5 HA GLU 5 -15.735 -10.904 -2.893 28 HB2 GLU 5 2HB GLU 5 -13.468 -12.728 -3.754 29 HB3 GLU 5 3HB GLU 5 -13.677 -12.009 -2.157 30 HG2 GLU 5 2HG GLU 5 -15.831 -13.165 -1.928 31 HG3 GLU 5 3HG GLU 5 -15.560 -13.955 -3.480 32 H LYS 6 H LYS 6 -15.838 -8.990 -4.570 33 HA LYS 6 HA LYS 6 -13.404 -7.822 -5.521 34 HB2 LYS 6 2HB LYS 6 -14.778 -5.963 -6.145 35 HB3 LYS 6 3HB LYS 6 -15.812 -7.387 -6.283 36 HG2 LYS 6 2HG LYS 6 -16.579 -6.843 -3.870 37 HG3 LYS 6 3HG LYS 6 -15.778 -5.281 -4.075 38 HD2 LYS 6 2HD LYS 6 -17.232 -4.801 -6.034 39 HD3 LYS 6 3HD LYS 6 -18.066 -6.338 -5.783 40 HE2 LYS 6 2HE LYS 6 -17.969 -3.949 -3.887 41 HE3 LYS 6 3HE LYS 6 -19.367 -4.533 -4.795 42 HZ1 LYS 6 3HZ LYS 6 -18.023 -5.945 -2.555 43 HZ2 LYS 6 1HZ LYS 6 -19.201 -6.628 -3.463 44 HZ3 LYS 6 2HZ LYS 6 -19.529 -5.311 -2.541 45 H SER 7 H SER 7 -14.711 -7.766 -2.386 46 HA SER 7 HA SER 7 -13.990 -5.091 -1.669 47 HB2 SER 7 2HB SER 7 -14.975 -7.350 0.083 48 HB3 SER 7 3HB SER 7 -14.930 -5.628 0.505 49 HG SER 7 HG SER 7 -16.989 -6.270 -0.254 50 H ALA 8 H ALA 8 -10.976 -5.398 0.167 51 HA ALA 8 HA ALA 8 -12.349 -3.959 -2.015 52 HB1 ALA 8 3HB ALA 8 -12.208 -2.892 0.833 53 HB2 ALA 8 1HB ALA 8 -12.911 -2.055 -0.563 54 HB3 ALA 8 2HB ALA 8 -13.679 -3.518 0.071 55 H THR 9 H THR 9 -9.424 -4.901 -1.216 56 HA THR 9 HA THR 9 -8.007 -2.312 -1.250 57 HB THR 9 HB THR 9 -7.006 -4.072 0.032 58 HG1 THR 9 HG1 THR 9 -4.947 -3.953 -0.899 59 HG21 THR 9 3HG2 THR 9 -7.682 -6.081 -1.317 60 HG22 THR 9 1HG2 THR 9 -5.952 -6.033 -0.956 61 HG23 THR 9 2HG2 THR 9 -6.530 -5.584 -2.573 62 H ILE 10 H ILE 10 -6.807 -1.468 -2.945 63 HA ILE 10 HA ILE 10 -7.830 -2.328 -5.621 64 HB ILE 10 HB ILE 10 -7.626 -0.052 -6.364 65 HG12 ILE 10 2HG1 ILE 10 -6.845 0.675 -3.506 66 HG13 ILE 10 3HG1 ILE 10 -5.796 0.752 -4.926 67 HG21 ILE 10 1HG2 ILE 10 -9.594 0.774 -5.226 68 HG22 ILE 10 2HG2 ILE 10 -9.717 -0.982 -5.332 69 HG23 ILE 10 3HG2 ILE 10 -9.256 -0.222 -3.795 70 HD11 ILE 10 3HD1 ILE 10 -8.240 2.475 -4.425 71 HD12 ILE 10 1HD1 ILE 10 -6.540 2.967 -4.431 72 HD13 ILE 10 2HD1 ILE 10 -7.309 2.448 -5.944 73 H LYS 11 H LYS 11 -6.587 -2.739 -7.303 74 HA LYS 11 HA LYS 11 -3.653 -2.865 -6.997 75 HB2 LYS 11 2HB LYS 11 -4.803 -4.788 -7.973 76 HB3 LYS 11 3HB LYS 11 -5.589 -3.763 -9.170 77 HG2 LYS 11 2HG LYS 11 -3.825 -4.993 -10.213 78 HG3 LYS 11 3HG LYS 11 -3.408 -3.283 -10.233 79 HD2 LYS 11 2HD LYS 11 -1.873 -3.629 -8.308 80 HD3 LYS 11 3HD LYS 11 -2.295 -5.344 -8.263 81 HE2 LYS 11 2HE LYS 11 -1.031 -3.887 -10.635 82 HE3 LYS 11 3HE LYS 11 -0.125 -4.793 -9.422 83 HZ1 LYS 11 3HZ LYS 11 -1.350 -6.804 -10.098 84 HZ2 LYS 11 1HZ LYS 11 -0.554 -6.170 -11.374 85 HZ3 LYS 11 2HZ LYS 11 -2.163 -5.970 -11.243 86 H VAL 12 H VAL 12 -2.314 -1.356 -7.730 87 HA VAL 12 HA VAL 12 -3.241 0.559 -9.829 88 HB VAL 12 HB VAL 12 -1.861 2.304 -8.803 89 HG11 VAL 12 1HG1 VAL 12 -4.287 2.238 -8.403 90 HG12 VAL 12 2HG1 VAL 12 -4.034 1.239 -6.954 91 HG13 VAL 12 3HG1 VAL 12 -3.412 2.898 -7.009 92 HG21 VAL 12 3HG2 VAL 12 -1.103 2.190 -6.510 93 HG22 VAL 12 1HG2 VAL 12 -1.724 0.544 -6.323 94 HG23 VAL 12 2HG2 VAL 12 -0.355 0.858 -7.408 95 H THR 13 H THR 13 -1.656 1.435 -11.194 96 HA THR 13 HA THR 13 0.797 -0.234 -11.591 97 HB THR 13 HB THR 13 0.527 0.025 -13.972 98 HG1 THR 13 HG1 THR 13 -1.420 1.014 -14.759 99 HG21 THR 13 3HG2 THR 13 -0.747 -1.848 -12.905 100 HG22 THR 13 1HG2 THR 13 -1.443 -1.281 -14.433 101 HG23 THR 13 2HG2 THR 13 -2.193 -0.812 -12.893 102 H ASP 14 H ASP 14 2.437 0.975 -13.034 103 HA ASP 14 HA ASP 14 3.215 3.425 -11.888 104 HB2 ASP 14 2HB ASP 14 4.627 1.821 -13.236 105 HB3 ASP 14 3HB ASP 14 3.879 2.450 -14.697 106 H ALA 15 H ALA 15 0.818 2.931 -14.389 107 HA ALA 15 HA ALA 15 0.684 5.789 -15.120 108 HB1 ALA 15 3HB ALA 15 0.333 4.078 -16.843 109 HB2 ALA 15 1HB ALA 15 -1.040 3.412 -15.928 110 HB3 ALA 15 2HB ALA 15 -1.129 5.054 -16.600 111 H SER 16 H SER 16 -1.455 3.405 -13.377 112 HA SER 16 HA SER 16 -3.396 5.500 -12.838 113 HB2 SER 16 2HB SER 16 -4.741 3.789 -11.831 114 HB3 SER 16 3HB SER 16 -4.107 3.251 -13.392 115 HG SER 16 HG SER 16 -3.914 1.622 -11.872 116 H PHE 17 H PHE 17 -0.731 4.199 -10.974 117 HA PHE 17 HA PHE 17 -1.461 4.718 -8.338 118 HB2 PHE 17 2HB PHE 17 0.625 3.667 -9.105 119 HB3 PHE 17 3HB PHE 17 1.211 5.205 -9.724 120 HD1 PHE 17 HD2 PHE 17 1.552 7.130 -7.937 121 HD2 PHE 17 HD1 PHE 17 1.209 2.932 -6.989 122 HE1 PHE 17 HE2 PHE 17 2.648 7.524 -5.751 123 HE2 PHE 17 HE1 PHE 17 2.357 3.341 -4.828 124 HZ PHE 17 HZ PHE 17 3.054 5.628 -4.200 125 H ALA 18 H ALA 18 -0.321 7.166 -10.752 126 HA ALA 18 HA ALA 18 -0.287 9.269 -8.819 127 HB1 ALA 18 3HB ALA 18 -0.493 9.417 -11.852 128 HB2 ALA 18 1HB ALA 18 -0.063 10.757 -10.761 129 HB3 ALA 18 2HB ALA 18 1.008 9.351 -10.890 130 H THR 19 H THR 19 -2.957 8.005 -10.778 131 HA THR 19 HA THR 19 -4.741 10.241 -10.036 132 HB THR 19 HB THR 19 -5.433 7.599 -11.388 133 HG1 THR 19 HG1 THR 19 -5.172 8.746 -13.312 134 HG21 THR 19 3HG2 THR 19 -7.429 8.836 -10.666 135 HG22 THR 19 1HG2 THR 19 -7.268 8.948 -12.420 136 HG23 THR 19 2HG2 THR 19 -6.802 10.329 -11.400 137 H ASP 20 H ASP 20 -4.082 6.945 -8.900 138 HA ASP 20 HA ASP 20 -6.450 7.008 -7.117 139 HB2 ASP 20 2HB ASP 20 -4.446 4.891 -7.890 140 HB3 ASP 20 3HB ASP 20 -5.529 4.672 -6.518 141 H VAL 21 H VAL 21 -2.968 7.357 -6.782 142 HA VAL 21 HA VAL 21 -3.211 7.427 -3.807 143 HB VAL 21 HB VAL 21 -0.664 7.196 -5.434 144 HG11 VAL 21 1HG1 VAL 21 -1.281 6.510 -2.541 145 HG12 VAL 21 2HG1 VAL 21 0.275 6.326 -3.369 146 HG13 VAL 21 3HG1 VAL 21 -0.384 7.940 -3.100 147 HG21 VAL 21 3HG2 VAL 21 -0.687 4.796 -5.000 148 HG22 VAL 21 1HG2 VAL 21 -2.283 4.911 -4.223 149 HG23 VAL 21 2HG2 VAL 21 -2.087 5.219 -5.961 150 H LEU 22 H LEU 22 -1.519 9.190 -6.463 151 HA LEU 22 HA LEU 22 -0.816 11.331 -4.616 152 HB2 LEU 22 2HB LEU 22 -0.360 11.222 -7.602 153 HB3 LEU 22 3HB LEU 22 0.400 12.310 -6.453 154 HG LEU 22 HG LEU 22 0.758 9.290 -6.545 155 HD11 LEU 22 1HD1 LEU 22 1.866 10.502 -8.386 156 HD12 LEU 22 2HD1 LEU 22 3.042 9.807 -7.260 157 HD13 LEU 22 3HD1 LEU 22 2.685 11.547 -7.207 158 HD21 LEU 22 3HD2 LEU 22 1.002 10.036 -4.220 159 HD22 LEU 22 1HD2 LEU 22 2.060 11.370 -4.733 160 HD23 LEU 22 2HD2 LEU 22 2.598 9.688 -4.884 161 H SER 23 H SER 23 -3.427 10.929 -6.897 162 HA SER 23 HA SER 23 -4.188 13.771 -6.762 163 HB2 SER 23 2HB SER 23 -5.606 11.472 -8.084 164 HB3 SER 23 3HB SER 23 -6.053 13.178 -8.194 165 HG SER 23 HG SER 23 -3.574 12.026 -9.010 166 H SER 24 H SER 24 -4.359 11.487 -4.490 167 HA SER 24 HA SER 24 -7.100 11.350 -3.690 168 HB2 SER 24 2HB SER 24 -5.369 9.691 -3.102 169 HB3 SER 24 3HB SER 24 -4.559 10.904 -2.084 170 HG SER 24 HG SER 24 -5.902 9.697 -0.786 171 H ASN 25 H ASN 25 -8.125 12.168 -1.868 172 HA ASN 25 HA ASN 25 -7.045 14.627 -0.568 173 HB2 ASN 25 2HB ASN 25 -9.289 15.440 -0.314 174 HB3 ASN 25 3HB ASN 25 -9.003 15.089 -2.012 175 HD21 ASN 25 1HD2 ASN 25 -11.569 15.385 -1.364 176 HD22 ASN 25 2HD2 ASN 25 -12.377 13.826 -1.272 177 H LYS 26 H LYS 26 -7.106 11.523 0.009 178 HA LYS 26 HA LYS 26 -7.717 11.659 2.921 179 HB2 LYS 26 2HB LYS 26 -8.962 9.550 2.775 180 HB3 LYS 26 3HB LYS 26 -9.714 10.785 1.774 181 HG2 LYS 26 2HG LYS 26 -8.636 9.809 -0.245 182 HG3 LYS 26 3HG LYS 26 -7.906 8.544 0.750 183 HD2 LYS 26 2HD LYS 26 -10.880 9.004 0.266 184 HD3 LYS 26 3HD LYS 26 -9.859 7.776 -0.483 185 HE2 LYS 26 2HE LYS 26 -9.366 6.988 1.943 186 HE3 LYS 26 3HE LYS 26 -10.779 7.955 2.406 187 HZ1 LYS 26 3HZ LYS 26 -12.007 6.620 0.654 188 HZ2 LYS 26 1HZ LYS 26 -11.530 5.716 1.922 189 HZ3 LYS 26 2HZ LYS 26 -10.674 5.661 0.528 190 HA PRO 27 HA PRO 27 -4.037 9.194 3.299 191 HB2 PRO 27 2HB PRO 27 -5.395 7.187 5.045 192 HB3 PRO 27 3HB PRO 27 -3.920 8.149 5.364 193 HG2 PRO 27 2HG PRO 27 -6.285 8.774 6.532 194 HG3 PRO 27 3HG PRO 27 -5.215 10.078 5.917 195 HD2 PRO 27 2HD PRO 27 -7.621 8.827 4.562 196 HD3 PRO 27 3HD PRO 27 -7.236 10.564 4.779 197 H VAL 28 H VAL 28 -3.013 7.598 2.195 198 HA VAL 28 HA VAL 28 -4.552 5.290 1.117 199 HB VAL 28 HB VAL 28 -2.660 6.880 -0.637 200 HG11 VAL 28 1HG1 VAL 28 -2.865 4.496 -1.228 201 HG12 VAL 28 2HG1 VAL 28 -4.638 4.614 -1.177 202 HG13 VAL 28 3HG1 VAL 28 -3.720 5.483 -2.418 203 HG21 VAL 28 3HG2 VAL 28 -4.583 8.294 -0.297 204 HG22 VAL 28 1HG2 VAL 28 -4.691 7.568 -1.902 205 HG23 VAL 28 2HG2 VAL 28 -5.701 6.941 -0.582 206 H LEU 29 H LEU 29 -3.599 3.561 1.927 207 HA LEU 29 HA LEU 29 -0.651 3.381 2.341 208 HB2 LEU 29 2HB LEU 29 -2.512 2.479 3.934 209 HB3 LEU 29 3HB LEU 29 -2.837 1.307 2.708 210 HG LEU 29 HG LEU 29 -1.580 0.336 4.467 211 HD11 LEU 29 1HD1 LEU 29 -1.036 -0.374 2.058 212 HD12 LEU 29 2HD1 LEU 29 0.093 -0.834 3.332 213 HD13 LEU 29 3HD1 LEU 29 0.490 0.522 2.276 214 HD21 LEU 29 3HD2 LEU 29 -0.403 2.316 5.323 215 HD22 LEU 29 1HD2 LEU 29 0.653 2.327 3.887 216 HD23 LEU 29 2HD2 LEU 29 0.722 0.985 5.043 217 H VAL 30 H VAL 30 0.645 2.570 0.706 218 HA VAL 30 HA VAL 30 -0.615 0.663 -1.226 219 HB VAL 30 HB VAL 30 1.774 2.349 -1.955 220 HG11 VAL 30 1HG1 VAL 30 1.029 1.662 -4.253 221 HG12 VAL 30 2HG1 VAL 30 1.426 0.273 -3.240 222 HG13 VAL 30 3HG1 VAL 30 -0.273 0.711 -3.532 223 HG21 VAL 30 3HG2 VAL 30 -0.044 3.958 -1.596 224 HG22 VAL 30 1HG2 VAL 30 0.319 3.760 -3.304 225 HG23 VAL 30 2HG2 VAL 30 -1.126 2.983 -2.618 226 H ASP 31 H ASP 31 0.121 -1.322 -1.053 227 HA ASP 31 HA ASP 31 2.766 -1.847 0.227 228 HB2 ASP 31 2HB ASP 31 0.898 -3.025 1.180 229 HB3 ASP 31 3HB ASP 31 0.404 -3.614 -0.393 230 H PHE 32 H PHE 32 4.458 -2.279 -0.946 231 HA PHE 32 HA PHE 32 4.240 -2.853 -3.841 232 HB2 PHE 32 2HB PHE 32 6.479 -1.859 -2.062 233 HB3 PHE 32 3HB PHE 32 6.738 -2.451 -3.691 234 HD1 PHE 32 HD1 PHE 32 4.305 -0.028 -2.029 235 HD2 PHE 32 HD2 PHE 32 7.001 -0.832 -5.299 236 HE1 PHE 32 HE1 PHE 32 3.707 2.133 -3.068 237 HE2 PHE 32 HE2 PHE 32 6.406 1.346 -6.304 238 HZ PHE 32 HZ PHE 32 4.750 2.830 -5.204 239 H TRP 33 H TRP 33 4.363 -4.887 -4.515 240 HA TRP 33 HA TRP 33 5.901 -6.914 -2.998 241 HB2 TRP 33 2HB TRP 33 4.114 -8.373 -2.670 242 HB3 TRP 33 3HB TRP 33 3.625 -6.828 -2.011 243 HD1 TRP 33 HD1 TRP 33 2.668 -5.922 -5.172 244 HE1 TRP 33 HE1 TRP 33 0.325 -6.654 -5.857 245 HE3 TRP 33 HE3 TRP 33 2.052 -9.763 -1.868 246 HZ2 TRP 33 HZ2 TRP 33 -1.762 -8.344 -4.718 247 HZ3 TRP 33 HZ3 TRP 33 -0.122 -10.966 -1.733 248 HH2 TRP 33 HH2 TRP 33 -2.039 -10.248 -3.134 249 H ALA 34 H ALA 34 5.882 -9.066 -3.968 250 HA ALA 34 HA ALA 34 5.869 -9.038 -6.950 251 HB1 ALA 34 3HB ALA 34 8.163 -8.983 -5.971 252 HB2 ALA 34 1HB ALA 34 7.806 -10.479 -5.083 253 HB3 ALA 34 2HB ALA 34 7.844 -10.479 -6.859 254 H THR 35 H THR 35 5.990 -11.491 -7.702 255 HA THR 35 HA THR 35 3.422 -12.604 -7.115 256 HB THR 35 HB THR 35 4.211 -14.456 -8.633 257 HG1 THR 35 HG1 THR 35 6.218 -14.135 -9.619 258 HG21 THR 35 3HG2 THR 35 4.348 -13.076 -10.642 259 HG22 THR 35 1HG2 THR 35 4.736 -11.635 -9.677 260 HG23 THR 35 2HG2 THR 35 3.139 -12.403 -9.538 261 H TRP 36 H TRP 36 6.535 -13.313 -5.717 262 HA TRP 36 HA TRP 36 5.691 -16.030 -4.853 263 HB2 TRP 36 2HB TRP 36 8.132 -16.438 -4.879 264 HB3 TRP 36 3HB TRP 36 7.503 -15.891 -6.423 265 HD1 TRP 36 HD1 TRP 36 8.404 -13.667 -7.414 266 HE1 TRP 36 HE1 TRP 36 10.254 -12.004 -6.778 267 HE3 TRP 36 HE3 TRP 36 9.479 -15.397 -2.705 268 HZ2 TRP 36 HZ2 TRP 36 11.918 -11.437 -4.494 269 HZ3 TRP 36 HZ3 TRP 36 11.185 -14.249 -1.311 270 HH2 TRP 36 HH2 TRP 36 12.403 -12.270 -2.189 271 H CYS 37 H CYS 37 6.320 -12.999 -3.317 272 HA CYS 37 HA CYS 37 7.946 -14.017 -1.202 273 HB2 CYS 37 2HB CYS 37 7.472 -11.651 -0.238 274 HB3 CYS 37 3HB CYS 37 8.474 -11.907 -1.652 275 H GLY 38 H GLY 38 7.595 -14.848 0.706 276 HA2 GLY 38 2HA GLY 38 5.100 -15.844 1.528 277 HA3 GLY 38 3HA GLY 38 6.525 -15.714 2.558 278 HA PRO 39 HA PRO 39 4.692 -12.495 4.943 279 HB2 PRO 39 2HB PRO 39 6.772 -10.484 4.110 280 HB3 PRO 39 3HB PRO 39 6.184 -10.891 5.749 281 HG2 PRO 39 2HG PRO 39 8.534 -11.871 4.885 282 HG3 PRO 39 3HG PRO 39 7.385 -12.950 5.744 283 HD2 PRO 39 2HD PRO 39 7.833 -12.689 2.749 284 HD3 PRO 39 3HD PRO 39 7.702 -14.173 3.742 285 H CYS 40 H CYS 40 5.454 -11.421 1.614 286 HA CYS 40 HA CYS 40 3.620 -9.187 1.682 287 HB2 CYS 40 2HB CYS 40 4.180 -8.765 -0.472 288 HB3 CYS 40 3HB CYS 40 5.637 -9.490 0.168 289 H LYS 41 H LYS 41 3.291 -12.610 0.718 290 HA LYS 41 HA LYS 41 0.438 -12.366 0.070 291 HB2 LYS 41 2HB LYS 41 2.442 -14.594 0.339 292 HB3 LYS 41 3HB LYS 41 0.746 -14.992 0.568 293 HG2 LYS 41 2HG LYS 41 1.428 -15.340 -1.759 294 HG3 LYS 41 3HG LYS 41 0.127 -14.163 -1.592 295 HD2 LYS 41 2HD LYS 41 1.820 -12.319 -1.867 296 HD3 LYS 41 3HD LYS 41 3.058 -13.544 -2.188 297 HE2 LYS 41 2HE LYS 41 2.024 -14.223 -4.208 298 HE3 LYS 41 3HE LYS 41 0.459 -13.552 -3.741 299 HZ1 LYS 41 3HZ LYS 41 2.829 -11.887 -4.440 300 HZ2 LYS 41 1HZ LYS 41 1.347 -11.325 -4.024 301 HZ3 LYS 41 2HZ LYS 41 1.532 -12.167 -5.404 302 H MET 42 H MET 42 2.215 -13.025 3.076 303 HA MET 42 HA MET 42 -0.119 -13.667 4.630 304 HB2 MET 42 2HB MET 42 2.569 -12.533 5.462 305 HB3 MET 42 3HB MET 42 1.330 -13.061 6.595 306 HG2 MET 42 2HG MET 42 1.438 -15.329 5.852 307 HG3 MET 42 3HG MET 42 2.438 -14.914 4.467 308 HE1 MET 42 3HE MET 42 4.945 -17.063 6.474 309 HE2 MET 42 1HE MET 42 3.201 -17.324 6.249 310 HE3 MET 42 2HE MET 42 4.196 -16.741 4.893 311 H VAL 43 H VAL 43 1.267 -10.439 3.806 312 HA VAL 43 HA VAL 43 -0.691 -9.101 5.552 313 HB VAL 43 HB VAL 43 0.124 -7.013 4.671 314 HG11 VAL 43 1HG1 VAL 43 2.337 -7.065 5.644 315 HG12 VAL 43 2HG1 VAL 43 1.234 -8.086 6.593 316 HG13 VAL 43 3HG1 VAL 43 2.411 -8.836 5.499 317 HG21 VAL 43 3HG2 VAL 43 2.110 -8.595 3.031 318 HG22 VAL 43 1HG2 VAL 43 0.740 -7.704 2.354 319 HG23 VAL 43 2HG2 VAL 43 2.036 -6.835 3.190 320 H ALA 44 H ALA 44 -0.835 -10.332 2.295 321 HA ALA 44 HA ALA 44 -2.535 -8.511 1.077 322 HB1 ALA 44 3HB ALA 44 -2.658 -11.537 0.821 323 HB2 ALA 44 1HB ALA 44 -3.264 -10.344 -0.344 324 HB3 ALA 44 2HB ALA 44 -1.524 -10.465 -0.015 325 HA PRO 45 HA PRO 45 -6.510 -10.314 3.096 326 HB2 PRO 45 2HB PRO 45 -6.316 -11.673 5.482 327 HB3 PRO 45 3HB PRO 45 -6.341 -12.459 3.876 328 HG2 PRO 45 2HG PRO 45 -3.916 -11.725 5.550 329 HG3 PRO 45 3HG PRO 45 -4.283 -13.296 4.763 330 HD2 PRO 45 2HD PRO 45 -2.654 -11.542 3.575 331 HD3 PRO 45 3HD PRO 45 -3.865 -12.412 2.601 332 H VAL 46 H VAL 46 -3.798 -9.248 5.217 333 HA VAL 46 HA VAL 46 -5.426 -7.730 7.067 334 HB VAL 46 HB VAL 46 -2.505 -7.460 6.256 335 HG11 VAL 46 1HG1 VAL 46 -3.131 -5.304 7.082 336 HG12 VAL 46 2HG1 VAL 46 -3.966 -6.031 8.462 337 HG13 VAL 46 3HG1 VAL 46 -2.193 -6.138 8.319 338 HG21 VAL 46 3HG2 VAL 46 -3.037 -9.571 7.396 339 HG22 VAL 46 1HG2 VAL 46 -2.043 -8.523 8.406 340 HG23 VAL 46 2HG2 VAL 46 -3.785 -8.673 8.730 341 H LEU 47 H LEU 47 -3.836 -6.881 3.998 342 HA LEU 47 HA LEU 47 -4.490 -4.078 4.042 343 HB2 LEU 47 2HB LEU 47 -3.826 -5.956 1.717 344 HB3 LEU 47 3HB LEU 47 -3.819 -4.197 1.598 345 HG LEU 47 HG LEU 47 -2.234 -5.679 3.647 346 HD11 LEU 47 1HD1 LEU 47 -0.233 -5.487 2.143 347 HD12 LEU 47 2HD1 LEU 47 -1.310 -4.916 0.848 348 HD13 LEU 47 3HD1 LEU 47 -1.487 -6.567 1.519 349 HD21 LEU 47 3HD2 LEU 47 -1.734 -2.959 2.356 350 HD22 LEU 47 1HD2 LEU 47 -0.750 -3.696 3.639 351 HD23 LEU 47 2HD2 LEU 47 -2.419 -3.228 3.972 352 H GLU 48 H GLU 48 -5.889 -6.832 2.324 353 HA GLU 48 HA GLU 48 -8.172 -5.606 1.152 354 HB2 GLU 48 2HB GLU 48 -7.169 -7.872 0.788 355 HB3 GLU 48 3HB GLU 48 -7.766 -8.376 2.359 356 HG2 GLU 48 2HG GLU 48 -10.101 -7.977 1.601 357 HG3 GLU 48 3HG GLU 48 -9.492 -7.404 0.040 358 H GLU 49 H GLU 49 -7.518 -6.699 4.486 359 HA GLU 49 HA GLU 49 -10.396 -6.494 5.123 360 HB2 GLU 49 2HB GLU 49 -8.030 -7.342 6.777 361 HB3 GLU 49 3HB GLU 49 -9.554 -6.891 7.542 362 HG2 GLU 49 2HG GLU 49 -10.811 -8.506 6.215 363 HG3 GLU 49 3HG GLU 49 -9.370 -8.994 5.341 364 H ILE 50 H ILE 50 -7.490 -4.538 5.982 365 HA ILE 50 HA ILE 50 -9.063 -2.534 7.363 366 HB ILE 50 HB ILE 50 -6.344 -2.397 6.055 367 HG12 ILE 50 2HG1 ILE 50 -6.208 -3.913 7.904 368 HG13 ILE 50 3HG1 ILE 50 -5.541 -2.396 8.467 369 HG21 ILE 50 1HG2 ILE 50 -5.977 -0.347 7.473 370 HG22 ILE 50 2HG2 ILE 50 -7.150 -0.122 6.179 371 HG23 ILE 50 3HG2 ILE 50 -7.717 -0.347 7.843 372 HD11 ILE 50 3HD1 ILE 50 -8.237 -3.625 9.159 373 HD12 ILE 50 1HD1 ILE 50 -6.889 -3.242 10.236 374 HD13 ILE 50 2HD1 ILE 50 -7.843 -1.932 9.531 375 H ALA 51 H ALA 51 -8.244 -2.957 3.904 376 HA ALA 51 HA ALA 51 -9.430 -0.526 2.983 377 HB1 ALA 51 3HB ALA 51 -8.080 -2.141 1.568 378 HB2 ALA 51 1HB ALA 51 -9.454 -3.246 1.600 379 HB3 ALA 51 2HB ALA 51 -9.611 -1.642 0.852 380 H THR 52 H THR 52 -10.902 -3.723 3.814 381 HA THR 52 HA THR 52 -13.570 -2.906 2.942 382 HB THR 52 HB THR 52 -12.689 -5.235 4.690 383 HG1 THR 52 HG1 THR 52 -11.760 -5.422 2.721 384 HG21 THR 52 3HG2 THR 52 -14.783 -6.303 3.842 385 HG22 THR 52 1HG2 THR 52 -15.260 -4.752 3.115 386 HG23 THR 52 2HG2 THR 52 -15.114 -4.913 4.881 387 H GLU 53 H GLU 53 -11.821 -2.893 6.022 388 HA GLU 53 HA GLU 53 -14.150 -2.516 7.672 389 HB2 GLU 53 2HB GLU 53 -11.153 -2.516 8.033 390 HB3 GLU 53 3HB GLU 53 -12.154 -2.017 9.359 391 HG2 GLU 53 2HG GLU 53 -12.654 -4.638 7.898 392 HG3 GLU 53 3HG GLU 53 -11.493 -4.510 9.199 393 H ARG 54 H ARG 54 -11.785 -0.160 6.407 394 HA ARG 54 HA ARG 54 -13.396 2.058 7.653 395 HB2 ARG 54 2HB ARG 54 -10.377 1.909 7.603 396 HB3 ARG 54 3HB ARG 54 -11.364 3.198 8.300 397 HG2 ARG 54 2HG ARG 54 -11.278 0.342 9.345 398 HG3 ARG 54 3HG ARG 54 -10.339 1.686 9.961 399 HD2 ARG 54 2HD ARG 54 -12.326 2.893 10.659 400 HD3 ARG 54 3HD ARG 54 -13.381 1.666 9.963 401 HE ARG 54 HE ARG 54 -11.793 1.465 12.455 402 HH11 ARG 54 1HH2 ARG 54 -13.864 -0.310 10.238 403 HH12 ARG 54 2HH2 ARG 54 -13.748 -1.766 11.205 404 HH21 ARG 54 1HH1 ARG 54 -11.854 -0.353 13.696 405 HH22 ARG 54 2HH1 ARG 54 -12.859 -1.703 13.186 406 H ALA 55 H ALA 55 -13.529 1.063 4.963 407 HA ALA 55 HA ALA 55 -12.182 2.420 2.995 408 HB1 ALA 55 3HB ALA 55 -14.165 2.002 1.604 409 HB2 ALA 55 1HB ALA 55 -13.899 0.623 2.681 410 HB3 ALA 55 2HB ALA 55 -15.174 1.795 3.051 411 H THR 56 H THR 56 -14.820 3.802 4.959 412 HA THR 56 HA THR 56 -15.192 6.162 3.314 413 HB THR 56 HB THR 56 -16.584 6.908 5.310 414 HG1 THR 56 HG1 THR 56 -16.987 5.324 6.855 415 HG21 THR 56 3HG2 THR 56 -18.375 5.287 4.901 416 HG22 THR 56 1HG2 THR 56 -17.224 4.150 4.165 417 HG23 THR 56 2HG2 THR 56 -17.574 5.704 3.378 418 H ASP 57 H ASP 57 -12.905 5.392 5.793 419 HA ASP 57 HA ASP 57 -12.221 8.288 6.176 420 HB2 ASP 57 2HB ASP 57 -11.573 5.814 7.801 421 HB3 ASP 57 3HB ASP 57 -10.825 7.381 8.070 422 H LEU 58 H LEU 58 -10.831 5.135 5.177 423 HA LEU 58 HA LEU 58 -8.616 6.588 3.854 424 HB2 LEU 58 2HB LEU 58 -6.892 5.237 4.847 425 HB3 LEU 58 3HB LEU 58 -7.674 6.289 5.981 426 HG LEU 58 HG LEU 58 -6.940 4.078 6.823 427 HD11 LEU 58 1HD1 LEU 58 -8.597 5.453 8.010 428 HD12 LEU 58 2HD1 LEU 58 -8.745 3.714 8.312 429 HD13 LEU 58 3HD1 LEU 58 -9.878 4.516 7.211 430 HD21 LEU 58 3HD2 LEU 58 -8.183 2.072 6.498 431 HD22 LEU 58 1HD2 LEU 58 -7.617 2.649 4.924 432 HD23 LEU 58 2HD2 LEU 58 -9.320 2.873 5.406 433 H THR 59 H THR 59 -7.194 5.213 2.550 434 HA THR 59 HA THR 59 -8.650 2.940 1.241 435 HB THR 59 HB THR 59 -6.977 5.117 -0.052 436 HG1 THR 59 HG1 THR 59 -8.968 5.478 -1.129 437 HG21 THR 59 3HG2 THR 59 -6.620 3.022 -1.300 438 HG22 THR 59 1HG2 THR 59 -7.691 4.085 -2.207 439 HG23 THR 59 2HG2 THR 59 -8.374 2.711 -1.311 440 H VAL 60 H VAL 60 -7.440 1.162 0.613 441 HA VAL 60 HA VAL 60 -4.514 1.175 1.118 442 HB VAL 60 HB VAL 60 -6.335 -1.075 1.956 443 HG11 VAL 60 1HG1 VAL 60 -4.206 -1.947 1.201 444 HG12 VAL 60 2HG1 VAL 60 -3.331 -0.781 2.211 445 HG13 VAL 60 3HG1 VAL 60 -4.314 -2.051 2.959 446 HG21 VAL 60 3HG2 VAL 60 -5.584 -0.596 4.266 447 HG22 VAL 60 1HG2 VAL 60 -4.825 0.901 3.686 448 HG23 VAL 60 2HG2 VAL 60 -6.582 0.685 3.581 449 H ALA 61 H ALA 61 -3.317 0.171 -0.385 450 HA ALA 61 HA ALA 61 -4.633 -1.047 -2.748 451 HB1 ALA 61 3HB ALA 61 -4.426 1.431 -2.979 452 HB2 ALA 61 1HB ALA 61 -2.686 1.302 -2.677 453 HB3 ALA 61 2HB ALA 61 -3.384 0.586 -4.141 454 H LYS 62 H LYS 62 -3.154 -1.923 -4.336 455 HA LYS 62 HA LYS 62 -0.540 -2.993 -3.285 456 HB2 LYS 62 2HB LYS 62 -2.627 -4.209 -5.150 457 HB3 LYS 62 3HB LYS 62 -1.006 -4.856 -4.974 458 HG2 LYS 62 2HG LYS 62 -3.056 -4.671 -2.721 459 HG3 LYS 62 3HG LYS 62 -2.682 -6.102 -3.688 460 HD2 LYS 62 2HD LYS 62 -0.224 -5.762 -2.908 461 HD3 LYS 62 3HD LYS 62 -0.907 -4.680 -1.694 462 HE2 LYS 62 2HE LYS 62 -2.163 -6.424 -0.668 463 HE3 LYS 62 3HE LYS 62 -1.970 -7.499 -2.057 464 HZ1 LYS 62 3HZ LYS 62 -0.443 -8.069 -0.176 465 HZ2 LYS 62 1HZ LYS 62 0.349 -6.636 -0.393 466 HZ3 LYS 62 2HZ LYS 62 0.336 -7.759 -1.564 467 H LEU 63 H LEU 63 1.235 -2.499 -4.391 468 HA LEU 63 HA LEU 63 1.022 -1.875 -7.321 469 HB2 LEU 63 2HB LEU 63 1.779 0.086 -6.039 470 HB3 LEU 63 3HB LEU 63 3.112 -0.835 -5.377 471 HG LEU 63 HG LEU 63 3.767 0.731 -7.139 472 HD11 LEU 63 1HD1 LEU 63 4.267 -1.980 -8.334 473 HD12 LEU 63 2HD1 LEU 63 4.991 -1.512 -6.789 474 HD13 LEU 63 3HD1 LEU 63 5.334 -0.591 -8.261 475 HD21 LEU 63 3HD2 LEU 63 2.205 -0.959 -9.109 476 HD22 LEU 63 1HD2 LEU 63 3.246 0.429 -9.476 477 HD23 LEU 63 2HD2 LEU 63 1.763 0.668 -8.547 478 H ASP 64 H ASP 64 1.972 -3.299 -8.612 479 HA ASP 64 HA ASP 64 3.408 -5.619 -7.387 480 HB2 ASP 64 2HB ASP 64 1.482 -6.164 -8.745 481 HB3 ASP 64 3HB ASP 64 2.166 -5.309 -10.127 482 H VAL 65 H VAL 65 5.547 -5.492 -7.299 483 HA VAL 65 HA VAL 65 6.974 -3.431 -8.727 484 HB VAL 65 HB VAL 65 8.930 -4.082 -7.554 485 HG11 VAL 65 1HG1 VAL 65 6.597 -4.465 -5.659 486 HG12 VAL 65 2HG1 VAL 65 8.223 -3.873 -5.270 487 HG13 VAL 65 3HG1 VAL 65 7.148 -2.905 -6.297 488 HG21 VAL 65 3HG2 VAL 65 8.960 -6.500 -7.763 489 HG22 VAL 65 1HG2 VAL 65 9.063 -6.048 -6.061 490 HG23 VAL 65 2HG2 VAL 65 7.531 -6.647 -6.728 491 H ASP 66 H ASP 66 6.325 -6.689 -9.646 492 HA ASP 66 HA ASP 66 8.740 -7.011 -11.290 493 HB2 ASP 66 2HB ASP 66 7.688 -8.924 -10.139 494 HB3 ASP 66 3HB ASP 66 6.220 -8.700 -11.089 495 H THR 67 H THR 67 5.272 -6.269 -11.833 496 HA THR 67 HA THR 67 5.878 -5.681 -14.686 497 HB THR 67 HB THR 67 3.893 -7.072 -13.946 498 HG1 THR 67 HG1 THR 67 3.584 -4.861 -15.689 499 HG21 THR 67 3HG2 THR 67 2.537 -4.371 -13.628 500 HG22 THR 67 1HG2 THR 67 3.005 -5.407 -12.260 501 HG23 THR 67 2HG2 THR 67 1.831 -5.991 -13.453 502 H ASN 68 H ASN 68 5.805 -3.904 -11.784 503 HA ASN 68 HA ASN 68 5.967 -1.403 -13.409 504 HB2 ASN 68 2HB ASN 68 4.850 -1.488 -10.595 505 HB3 ASN 68 3HB ASN 68 4.895 -0.128 -11.697 506 HD21 ASN 68 1HD2 ASN 68 3.316 -3.123 -10.896 507 HD22 ASN 68 2HD2 ASN 68 1.872 -2.826 -11.882 508 HA PRO 69 HA PRO 69 9.915 -2.063 -10.887 509 HB2 PRO 69 2HB PRO 69 11.078 -1.459 -13.604 510 HB3 PRO 69 3HB PRO 69 11.693 -2.556 -12.329 511 HG2 PRO 69 2HG PRO 69 10.426 -3.566 -14.496 512 HG3 PRO 69 3HG PRO 69 10.051 -4.211 -12.864 513 HD2 PRO 69 2HD PRO 69 8.498 -2.159 -14.472 514 HD3 PRO 69 3HD PRO 69 7.923 -3.610 -13.601 515 H GLU 70 H GLU 70 8.785 0.300 -13.290 516 HA GLU 70 HA GLU 70 10.528 2.459 -12.595 517 HB2 GLU 70 2HB GLU 70 7.759 2.420 -13.859 518 HB3 GLU 70 3HB GLU 70 8.790 3.852 -13.760 519 HG2 GLU 70 2HG GLU 70 9.495 1.289 -15.234 520 HG3 GLU 70 3HG GLU 70 8.886 2.763 -15.974 521 H THR 71 H THR 71 7.300 1.555 -11.274 522 HA THR 71 HA THR 71 7.258 3.815 -9.423 523 HB THR 71 HB THR 71 5.674 1.467 -8.774 524 HG1 THR 71 HG1 THR 71 5.342 2.979 -11.130 525 HG21 THR 71 3HG2 THR 71 4.978 4.404 -9.080 526 HG22 THR 71 1HG2 THR 71 5.388 3.575 -7.561 527 HG23 THR 71 2HG2 THR 71 3.913 3.134 -8.438 528 H ALA 72 H ALA 72 8.296 0.393 -9.269 529 HA ALA 72 HA ALA 72 8.738 0.292 -6.460 530 HB1 ALA 72 3HB ALA 72 10.122 -1.650 -6.964 531 HB2 ALA 72 1HB ALA 72 8.674 -1.664 -7.993 532 HB3 ALA 72 2HB ALA 72 10.242 -1.176 -8.669 533 H ARG 73 H ARG 73 11.045 1.243 -9.089 534 HA ARG 73 HA ARG 73 13.056 2.094 -7.166 535 HB2 ARG 73 2HB ARG 73 14.348 2.847 -8.973 536 HB3 ARG 73 3HB ARG 73 13.575 1.347 -9.480 537 HG2 ARG 73 2HG ARG 73 11.886 2.695 -10.752 538 HG3 ARG 73 3HG ARG 73 12.737 4.175 -10.280 539 HD2 ARG 73 2HD ARG 73 14.812 3.256 -11.394 540 HD3 ARG 73 3HD ARG 73 13.860 1.869 -11.924 541 HE ARG 73 HE ARG 73 12.833 3.143 -13.565 542 HH11 ARG 73 1HH2 ARG 73 14.692 5.358 -11.560 543 HH12 ARG 73 2HH2 ARG 73 14.414 6.694 -12.643 544 HH21 ARG 73 1HH1 ARG 73 12.419 4.899 -14.810 545 HH22 ARG 73 2HH1 ARG 73 13.192 6.429 -14.458 546 H ASN 74 H ASN 74 10.250 3.737 -8.472 547 HA ASN 74 HA ASN 74 10.953 6.421 -7.956 548 HB2 ASN 74 2HB ASN 74 8.751 5.357 -9.013 549 HB3 ASN 74 3HB ASN 74 8.171 5.341 -7.370 550 HD21 ASN 74 1HD2 ASN 74 7.572 7.326 -6.364 551 HD22 ASN 74 2HD2 ASN 74 7.629 8.840 -7.251 552 H PHE 75 H PHE 75 9.721 3.941 -5.741 553 HA PHE 75 HA PHE 75 10.187 5.721 -3.397 554 HB2 PHE 75 2HB PHE 75 8.321 3.352 -3.663 555 HB3 PHE 75 3HB PHE 75 8.535 4.347 -2.222 556 HD1 PHE 75 HD1 PHE 75 8.087 6.890 -2.405 557 HD2 PHE 75 HD2 PHE 75 6.802 4.051 -5.381 558 HE1 PHE 75 HE1 PHE 75 6.511 8.572 -3.329 559 HE2 PHE 75 HE2 PHE 75 5.204 5.726 -6.288 560 HZ PHE 75 HZ PHE 75 5.062 7.990 -5.265 561 H GLN 76 H GLN 76 12.204 4.070 -4.848 562 HA GLN 76 HA GLN 76 13.980 2.762 -4.464 563 HB2 GLN 76 2HB GLN 76 14.187 4.877 -3.023 564 HB3 GLN 76 3HB GLN 76 13.926 3.820 -1.630 565 HG2 GLN 76 2HG GLN 76 15.941 2.479 -2.343 566 HG3 GLN 76 3HG GLN 76 16.142 3.553 -3.725 567 HE21 GLN 76 1HE2 GLN 76 18.364 3.463 -2.365 568 HE22 GLN 76 2HE2 GLN 76 18.541 4.824 -1.267 569 H VAL 77 H VAL 77 11.682 1.192 -4.276 570 HA VAL 77 HA VAL 77 11.956 -0.622 -1.972 571 HB VAL 77 HB VAL 77 10.145 -0.836 -4.407 572 HG11 VAL 77 1HG1 VAL 77 10.187 -2.333 -1.747 573 HG12 VAL 77 2HG1 VAL 77 8.894 -2.435 -2.952 574 HG13 VAL 77 3HG1 VAL 77 10.500 -3.031 -3.351 575 HG21 VAL 77 3HG2 VAL 77 9.567 1.145 -3.086 576 HG22 VAL 77 1HG2 VAL 77 8.376 -0.117 -2.787 577 HG23 VAL 77 2HG2 VAL 77 9.636 0.202 -1.581 578 H VAL 78 H VAL 78 13.220 -2.297 -1.900 579 HA VAL 78 HA VAL 78 14.124 -3.713 -4.380 580 HB VAL 78 HB VAL 78 15.913 -3.072 -2.001 581 HG11 VAL 78 1HG1 VAL 78 17.708 -4.034 -3.421 582 HG12 VAL 78 2HG1 VAL 78 16.478 -5.239 -3.042 583 HG13 VAL 78 3HG1 VAL 78 16.501 -4.476 -4.648 584 HG21 VAL 78 3HG2 VAL 78 15.951 -1.966 -4.843 585 HG22 VAL 78 1HG2 VAL 78 15.616 -1.049 -3.357 586 HG23 VAL 78 2HG2 VAL 78 17.225 -1.718 -3.628 587 H SER 79 H SER 79 13.934 -3.908 -0.791 588 HA SER 79 HA SER 79 13.297 -6.790 -0.884 589 HB2 SER 79 2HB SER 79 13.318 -4.841 1.451 590 HB3 SER 79 3HB SER 79 13.154 -6.601 1.555 591 HG SER 79 HG SER 79 15.256 -6.808 0.709 592 H ILE 80 H ILE 80 11.291 -7.659 -0.434 593 HA ILE 80 HA ILE 80 8.992 -5.831 -0.109 594 HB ILE 80 HB ILE 80 7.644 -7.183 -1.617 595 HG12 ILE 80 2HG1 ILE 80 9.012 -9.257 -1.727 596 HG13 ILE 80 3HG1 ILE 80 8.398 -8.640 -3.248 597 HG21 ILE 80 1HG2 ILE 80 8.528 -5.014 -2.280 598 HG22 ILE 80 2HG2 ILE 80 9.984 -5.769 -2.941 599 HG23 ILE 80 3HG2 ILE 80 8.398 -6.102 -3.670 600 HD11 ILE 80 3HD1 ILE 80 10.655 -7.788 -3.841 601 HD12 ILE 80 1HD1 ILE 80 11.293 -8.483 -2.328 602 HD13 ILE 80 2HD1 ILE 80 10.604 -9.530 -3.568 603 HA PRO 81 HA PRO 81 6.555 -6.244 0.158 604 HB2 PRO 81 2HB PRO 81 5.064 -5.822 2.396 605 HB3 PRO 81 3HB PRO 81 4.862 -7.258 1.354 606 HG2 PRO 81 2HG PRO 81 6.450 -7.006 3.930 607 HG3 PRO 81 3HG PRO 81 5.283 -8.286 3.477 608 HD2 PRO 81 2HD PRO 81 7.997 -8.573 3.179 609 HD3 PRO 81 3HD PRO 81 6.849 -9.315 2.035 610 H THR 82 H THR 82 6.533 -4.043 0.246 611 HA THR 82 HA THR 82 7.604 -2.656 2.649 612 HB THR 82 HB THR 82 8.385 -1.934 -0.194 613 HG1 THR 82 HG1 THR 82 9.910 -3.231 0.642 614 HG21 THR 82 3HG2 THR 82 7.825 0.170 0.902 615 HG22 THR 82 1HG2 THR 82 9.582 -0.007 0.903 616 HG23 THR 82 2HG2 THR 82 8.664 -0.330 2.390 617 H LEU 83 H LEU 83 6.079 -1.478 3.467 618 HA LEU 83 HA LEU 83 3.733 -0.623 1.862 619 HB2 LEU 83 2HB LEU 83 4.259 -0.723 4.862 620 HB3 LEU 83 3HB LEU 83 2.821 -0.051 4.110 621 HG LEU 83 HG LEU 83 2.308 -2.302 3.124 622 HD11 LEU 83 1HD1 LEU 83 3.299 -4.295 4.328 623 HD12 LEU 83 2HD1 LEU 83 4.568 -3.218 4.950 624 HD13 LEU 83 3HD1 LEU 83 4.400 -3.519 3.205 625 HD21 LEU 83 3HD2 LEU 83 1.428 -3.198 5.239 626 HD22 LEU 83 1HD2 LEU 83 1.277 -1.438 5.223 627 HD23 LEU 83 2HD2 LEU 83 2.574 -2.198 6.163 628 H ILE 84 H ILE 84 3.449 1.459 1.318 629 HA ILE 84 HA ILE 84 4.942 3.582 2.774 630 HB ILE 84 HB ILE 84 6.162 3.346 0.745 631 HG12 ILE 84 2HG1 ILE 84 5.706 5.515 -0.470 632 HG13 ILE 84 3HG1 ILE 84 4.289 5.742 0.551 633 HG21 ILE 84 1HG2 ILE 84 4.641 2.086 -0.644 634 HG22 ILE 84 2HG2 ILE 84 3.543 3.471 -0.782 635 HG23 ILE 84 3HG2 ILE 84 5.163 3.530 -1.508 636 HD11 ILE 84 3HD1 ILE 84 5.762 5.767 2.551 637 HD12 ILE 84 1HD1 ILE 84 7.173 5.503 1.501 638 HD13 ILE 84 2HD1 ILE 84 6.230 7.001 1.374 639 H LEU 85 H LEU 85 3.678 5.049 3.585 640 HA LEU 85 HA LEU 85 0.785 5.038 2.890 641 HB2 LEU 85 2HB LEU 85 1.383 4.250 5.135 642 HB3 LEU 85 3HB LEU 85 2.268 5.737 5.439 643 HG LEU 85 HG LEU 85 0.213 7.048 5.424 644 HD11 LEU 85 1HD1 LEU 85 -1.272 4.450 4.901 645 HD12 LEU 85 2HD1 LEU 85 -1.140 5.831 3.791 646 HD13 LEU 85 3HD1 LEU 85 -1.994 6.026 5.302 647 HD21 LEU 85 3HD2 LEU 85 -0.856 6.012 7.431 648 HD22 LEU 85 1HD2 LEU 85 0.913 6.015 7.527 649 HD23 LEU 85 2HD2 LEU 85 0.054 4.519 7.117 650 H PHE 86 H PHE 86 -0.063 6.729 2.025 651 HA PHE 86 HA PHE 86 1.302 9.375 2.072 652 HB2 PHE 86 2HB PHE 86 -0.735 8.262 0.106 653 HB3 PHE 86 3HB PHE 86 -0.013 9.861 0.043 654 HD1 PHE 86 HD2 PHE 86 0.696 6.213 -0.290 655 HD2 PHE 86 HD1 PHE 86 2.154 10.217 -0.955 656 HE1 PHE 86 HE2 PHE 86 2.571 5.311 -1.627 657 HE2 PHE 86 HE1 PHE 86 4.055 9.303 -2.262 658 HZ PHE 86 HZ PHE 86 4.278 6.842 -2.570 659 H LYS 87 H LYS 87 0.085 11.195 2.489 660 HA LYS 87 HA LYS 87 -2.769 10.883 3.329 661 HB2 LYS 87 2HB LYS 87 -1.179 11.320 5.268 662 HB3 LYS 87 3HB LYS 87 -0.789 12.868 4.505 663 HG2 LYS 87 2HG LYS 87 -3.320 13.330 4.503 664 HG3 LYS 87 3HG LYS 87 -3.503 11.914 5.529 665 HD2 LYS 87 2HD LYS 87 -2.191 12.916 7.295 666 HD3 LYS 87 3HD LYS 87 -1.662 14.248 6.258 667 HE2 LYS 87 2HE LYS 87 -4.591 13.715 6.884 668 HE3 LYS 87 3HE LYS 87 -3.579 14.702 7.937 669 HZ1 LYS 87 3HZ LYS 87 -3.205 16.249 6.160 670 HZ2 LYS 87 1HZ LYS 87 -4.816 16.007 6.208 671 HZ3 LYS 87 2HZ LYS 87 -3.903 15.319 5.026 672 H ASP 88 H ASP 88 -3.972 11.807 1.808 673 HA ASP 88 HA ASP 88 -4.556 12.961 -0.016 674 HB2 ASP 88 2HB ASP 88 -4.711 15.362 0.244 675 HB3 ASP 88 3HB ASP 88 -5.209 14.446 1.653 676 H GLY 89 H GLY 89 -2.269 11.650 -0.532 677 HA2 GLY 89 2HA GLY 89 -0.958 11.354 -2.365 678 HA3 GLY 89 3HA GLY 89 -1.310 12.981 -2.932 679 H GLN 90 H GLN 90 -0.095 13.191 0.252 680 HA GLN 90 HA GLN 90 2.721 13.475 -0.704 681 HB2 GLN 90 2HB GLN 90 1.355 14.704 1.715 682 HB3 GLN 90 3HB GLN 90 3.069 14.865 1.298 683 HG2 GLN 90 2HG GLN 90 2.424 15.941 -0.865 684 HG3 GLN 90 3HG GLN 90 0.725 15.847 -0.394 685 HE21 GLN 90 1HE2 GLN 90 1.293 18.316 -0.953 686 HE22 GLN 90 2HE2 GLN 90 1.660 19.274 0.476 687 HA PRO 91 HA PRO 91 3.423 9.764 1.695 688 HB2 PRO 91 2HB PRO 91 6.154 9.691 1.835 689 HB3 PRO 91 3HB PRO 91 5.227 9.333 0.348 690 HG2 PRO 91 2HG PRO 91 6.543 11.950 1.138 691 HG3 PRO 91 3HG PRO 91 6.641 11.092 -0.433 692 HD2 PRO 91 2HD PRO 91 4.910 13.157 -0.019 693 HD3 PRO 91 3HD PRO 91 4.453 11.753 -1.032 694 H VAL 92 H VAL 92 3.462 9.277 3.811 695 HA VAL 92 HA VAL 92 4.501 11.288 5.785 696 HB VAL 92 HB VAL 92 2.640 10.473 7.302 697 HG11 VAL 92 1HG1 VAL 92 2.650 12.692 6.171 698 HG12 VAL 92 2HG1 VAL 92 1.815 11.978 4.775 699 HG13 VAL 92 3HG1 VAL 92 1.016 12.041 6.363 700 HG21 VAL 92 3HG2 VAL 92 1.353 9.523 4.720 701 HG22 VAL 92 1HG2 VAL 92 1.948 8.472 6.034 702 HG23 VAL 92 2HG2 VAL 92 0.617 9.604 6.322 703 H LYS 93 H LYS 93 4.270 7.815 5.077 704 HA LYS 93 HA LYS 93 6.302 7.226 7.143 705 HB2 LYS 93 2HB LYS 93 4.176 7.388 8.389 706 HB3 LYS 93 3HB LYS 93 3.432 6.209 7.318 707 HG2 LYS 93 2HG LYS 93 4.945 4.455 8.127 708 HG3 LYS 93 3HG LYS 93 5.802 5.623 9.155 709 HD2 LYS 93 2HD LYS 93 2.807 5.109 9.342 710 HD3 LYS 93 3HD LYS 93 3.993 4.168 10.270 711 HE2 LYS 93 2HE LYS 93 4.784 6.186 11.402 712 HE3 LYS 93 3HE LYS 93 3.728 7.207 10.415 713 HZ1 LYS 93 3HZ LYS 93 2.728 6.758 12.573 714 HZ2 LYS 93 1HZ LYS 93 2.784 5.113 12.299 715 HZ3 LYS 93 2HZ LYS 93 1.822 6.092 11.394 716 H ARG 94 H ARG 94 7.404 5.326 6.765 717 HA ARG 94 HA ARG 94 6.497 3.487 4.581 718 HB2 ARG 94 2HB ARG 94 8.085 5.274 3.788 719 HB3 ARG 94 3HB ARG 94 9.297 4.641 4.895 720 HG2 ARG 94 2HG ARG 94 9.304 2.481 3.659 721 HG3 ARG 94 3HG ARG 94 8.033 3.099 2.576 722 HD2 ARG 94 2HD ARG 94 9.523 4.969 1.897 723 HD3 ARG 94 3HD ARG 94 10.790 4.372 2.958 724 HE ARG 94 HE ARG 94 10.006 3.342 0.324 725 HH11 ARG 94 1HH1 ARG 94 11.869 2.542 3.194 726 HH12 ARG 94 2HH1 ARG 94 12.940 1.506 2.291 727 HH21 ARG 94 1HH2 ARG 94 11.466 2.182 -0.733 728 HH22 ARG 94 2HH2 ARG 94 12.703 1.282 0.100 729 H ILE 95 H ILE 95 6.706 1.377 5.033 730 HA ILE 95 HA ILE 95 8.431 0.481 7.315 731 HB ILE 95 HB ILE 95 5.637 -0.614 6.806 732 HG12 ILE 95 2HG1 ILE 95 5.457 1.751 7.607 733 HG13 ILE 95 3HG1 ILE 95 4.755 0.550 8.645 734 HG21 ILE 95 1HG2 ILE 95 7.667 -1.065 9.023 735 HG22 ILE 95 2HG2 ILE 95 5.990 -1.642 9.048 736 HG23 ILE 95 3HG2 ILE 95 7.096 -2.237 7.819 737 HD11 ILE 95 3HD1 ILE 95 7.485 1.805 9.157 738 HD12 ILE 95 1HD1 ILE 95 5.958 2.338 9.884 739 HD13 ILE 95 2HD1 ILE 95 6.588 0.725 10.246 740 H VAL 96 H VAL 96 9.805 -1.078 6.727 741 HA VAL 96 HA VAL 96 9.498 -2.348 4.067 742 HB VAL 96 HB VAL 96 11.915 -2.778 4.201 743 HG11 VAL 96 1HG1 VAL 96 11.137 0.126 4.672 744 HG12 VAL 96 2HG1 VAL 96 12.618 -0.471 3.892 745 HG13 VAL 96 3HG1 VAL 96 11.046 -0.755 3.129 746 HG21 VAL 96 3HG2 VAL 96 13.299 -1.730 5.905 747 HG22 VAL 96 1HG2 VAL 96 11.881 -1.086 6.749 748 HG23 VAL 96 2HG2 VAL 96 12.176 -2.838 6.702 749 H GLY 97 H GLY 97 7.850 -3.504 6.001 750 HA2 GLY 97 2HA GLY 97 8.597 -6.290 5.838 751 HA3 GLY 97 3HA GLY 97 8.806 -5.674 7.478 752 H ALA 98 H ALA 98 7.188 -7.505 7.724 753 HA ALA 98 HA ALA 98 4.530 -7.303 6.745 754 HB1 ALA 98 3HB ALA 98 4.077 -9.149 8.293 755 HB2 ALA 98 1HB ALA 98 5.607 -9.398 7.436 756 HB3 ALA 98 2HB ALA 98 5.616 -8.850 9.127 757 H LYS 99 H LYS 99 2.561 -6.948 7.873 758 HA LYS 99 HA LYS 99 2.555 -5.517 10.471 759 HB2 LYS 99 2HB LYS 99 2.045 -4.207 7.939 760 HB3 LYS 99 3HB LYS 99 0.498 -4.434 8.721 761 HG2 LYS 99 2HG LYS 99 1.085 -2.380 9.517 762 HG3 LYS 99 3HG LYS 99 1.629 -3.404 10.841 763 HD2 LYS 99 2HD LYS 99 3.994 -3.210 9.944 764 HD3 LYS 99 3HD LYS 99 3.369 -2.306 8.576 765 HE2 LYS 99 2HE LYS 99 4.289 -0.726 10.137 766 HE3 LYS 99 3HE LYS 99 2.538 -0.527 10.060 767 HZ1 LYS 99 3HZ LYS 99 4.070 -1.853 12.237 768 HZ2 LYS 99 1HZ LYS 99 2.432 -1.819 12.167 769 HZ3 LYS 99 2HZ LYS 99 3.256 -0.427 12.334 770 H GLY 100 H GLY 100 0.543 -5.716 11.627 771 HA2 GLY 100 2HA GLY 100 -1.402 -7.769 10.634 772 HA3 GLY 100 3HA GLY 100 -1.120 -7.388 12.334 773 H LYS 101 H LYS 101 -3.691 -7.225 11.185 774 HA LYS 101 HA LYS 101 -4.552 -4.767 10.103 775 HB2 LYS 101 2HB LYS 101 -5.930 -6.670 12.046 776 HB3 LYS 101 3HB LYS 101 -6.752 -5.313 11.269 777 HG2 LYS 101 2HG LYS 101 -6.196 -6.261 9.038 778 HG3 LYS 101 3HG LYS 101 -5.500 -7.681 9.836 779 HD2 LYS 101 2HD LYS 101 -8.387 -6.736 10.065 780 HD3 LYS 101 3HD LYS 101 -7.793 -8.045 9.034 781 HE2 LYS 101 2HE LYS 101 -7.081 -9.340 10.981 782 HE3 LYS 101 3HE LYS 101 -7.606 -8.051 12.074 783 HZ1 LYS 101 3HZ LYS 101 -9.450 -9.423 10.189 784 HZ2 LYS 101 1HZ LYS 101 -9.868 -8.405 11.392 785 HZ3 LYS 101 2HZ LYS 101 -9.268 -9.880 11.760 786 H ALA 102 H ALA 102 -4.040 -5.505 13.505 787 HA ALA 102 HA ALA 102 -5.265 -3.042 14.464 788 HB1 ALA 102 3HB ALA 102 -4.387 -3.752 16.654 789 HB2 ALA 102 1HB ALA 102 -5.186 -5.098 15.820 790 HB3 ALA 102 2HB ALA 102 -3.410 -5.015 15.874 791 H ALA 103 H ALA 103 -1.906 -4.060 13.867 792 HA ALA 103 HA ALA 103 -0.713 -1.583 14.777 793 HB1 ALA 103 3HB ALA 103 0.416 -3.789 14.853 794 HB2 ALA 103 1HB ALA 103 0.432 -3.837 13.075 795 HB3 ALA 103 2HB ALA 103 1.347 -2.585 13.955 796 H LEU 104 H LEU 104 -1.608 -2.879 11.533 797 HA LEU 104 HA LEU 104 -0.592 -0.660 10.025 798 HB2 LEU 104 2HB LEU 104 -1.248 -2.921 9.121 799 HB3 LEU 104 3HB LEU 104 -2.928 -2.518 9.437 800 HG LEU 104 HG LEU 104 -2.772 -0.606 7.836 801 HD11 LEU 104 1HD1 LEU 104 -0.776 -0.579 6.298 802 HD12 LEU 104 2HD1 LEU 104 0.048 -1.685 7.404 803 HD13 LEU 104 3HD1 LEU 104 -0.407 -0.043 7.931 804 HD21 LEU 104 3HD2 LEU 104 -2.722 -1.915 5.813 805 HD22 LEU 104 1HD2 LEU 104 -3.518 -2.853 7.082 806 HD23 LEU 104 2HD2 LEU 104 -1.839 -3.232 6.623 807 H LEU 105 H LEU 105 -3.889 -1.300 11.382 808 HA LEU 105 HA LEU 105 -4.829 1.264 10.517 809 HB2 LEU 105 2HB LEU 105 -6.273 -0.679 10.806 810 HB3 LEU 105 3HB LEU 105 -6.027 -0.590 12.546 811 HG LEU 105 HG LEU 105 -7.151 1.581 12.647 812 HD11 LEU 105 1HD1 LEU 105 -6.588 2.596 10.516 813 HD12 LEU 105 2HD1 LEU 105 -8.330 2.481 10.619 814 HD13 LEU 105 3HD1 LEU 105 -7.439 1.312 9.623 815 HD21 LEU 105 3HD2 LEU 105 -8.788 -0.373 10.977 816 HD22 LEU 105 1HD2 LEU 105 -9.407 0.862 12.092 817 HD23 LEU 105 2HD2 LEU 105 -8.505 -0.517 12.723 818 H ARG 106 H ARG 106 -3.141 0.268 13.507 819 HA ARG 106 HA ARG 106 -3.371 2.817 14.839 820 HB2 ARG 106 2HB ARG 106 -2.373 0.783 15.885 821 HB3 ARG 106 3HB ARG 106 -1.010 0.903 14.783 822 HG2 ARG 106 2HG ARG 106 -0.623 3.280 15.785 823 HG3 ARG 106 3HG ARG 106 -1.777 2.784 17.025 824 HD2 ARG 106 2HD ARG 106 0.413 2.359 17.863 825 HD3 ARG 106 3HD ARG 106 -0.287 0.777 17.475 826 HE ARG 106 HE ARG 106 1.127 1.596 15.172 827 HH11 ARG 106 1HH2 ARG 106 2.031 0.864 18.478 828 HH12 ARG 106 2HH2 ARG 106 3.661 0.446 18.024 829 HH21 ARG 106 1HH1 ARG 106 3.175 1.063 14.658 830 HH22 ARG 106 2HH1 ARG 106 4.298 0.569 15.911 831 H GLU 107 H GLU 107 -0.992 1.714 12.327 832 HA GLU 107 HA GLU 107 0.349 4.234 12.169 833 HB2 GLU 107 2HB GLU 107 -0.098 2.417 9.769 834 HB3 GLU 107 3HB GLU 107 1.149 3.612 9.987 835 HG2 GLU 107 2HG GLU 107 0.956 0.897 11.163 836 HG3 GLU 107 3HG GLU 107 2.204 1.562 10.175 837 H LEU 108 H LEU 108 -2.587 3.128 10.504 838 HA LEU 108 HA LEU 108 -2.952 5.590 9.036 839 HB2 LEU 108 2HB LEU 108 -4.447 3.061 9.568 840 HB3 LEU 108 3HB LEU 108 -5.467 4.411 9.209 841 HG LEU 108 HG LEU 108 -5.001 3.106 7.222 842 HD11 LEU 108 1HD1 LEU 108 -4.321 4.843 5.698 843 HD12 LEU 108 2HD1 LEU 108 -3.466 5.726 6.977 844 HD13 LEU 108 3HD1 LEU 108 -5.227 5.611 7.021 845 HD21 LEU 108 3HD2 LEU 108 -2.793 2.929 6.209 846 HD22 LEU 108 1HD2 LEU 108 -2.842 2.145 7.793 847 HD23 LEU 108 2HD2 LEU 108 -2.063 3.728 7.615 848 H SER 109 H SER 109 -4.093 4.563 12.239 849 HA SER 109 HA SER 109 -5.766 6.867 12.683 850 HB2 SER 109 2HB SER 109 -4.451 5.067 14.745 851 HB3 SER 109 3HB SER 109 -5.804 6.182 15.014 852 HG SER 109 HG SER 109 -5.729 3.851 13.391 853 H ASP 110 H ASP 110 -2.329 6.317 12.976 854 HA ASP 110 HA ASP 110 -1.706 8.758 14.397 855 HB2 ASP 110 2HB ASP 110 -0.287 6.647 14.141 856 HB3 ASP 110 3HB ASP 110 0.047 7.181 12.491 857 H VAL 111 H VAL 111 -2.907 8.285 11.259 858 HA VAL 111 HA VAL 111 -1.697 10.780 10.129 859 HB VAL 111 HB VAL 111 -2.527 8.159 8.842 860 HG11 VAL 111 1HG1 VAL 111 -1.599 10.694 7.452 861 HG12 VAL 111 2HG1 VAL 111 -1.806 9.102 6.686 862 HG13 VAL 111 3HG1 VAL 111 -3.216 9.962 7.304 863 HG21 VAL 111 3HG2 VAL 111 0.117 9.692 8.986 864 HG22 VAL 111 1HG2 VAL 111 -0.271 8.205 9.872 865 HG23 VAL 111 2HG2 VAL 111 -0.144 8.172 8.114 866 H VAL 112 H VAL 112 -4.762 9.031 10.632 867 HA VAL 112 HA VAL 112 -6.130 11.638 10.320 868 HB VAL 112 HB VAL 112 -6.497 10.386 8.241 869 HG11 VAL 112 1HG1 VAL 112 -7.971 8.434 8.143 870 HG12 VAL 112 2HG1 VAL 112 -6.519 8.052 9.083 871 HG13 VAL 112 3HG1 VAL 112 -8.062 8.366 9.907 872 HG21 VAL 112 3HG2 VAL 112 -8.888 10.702 8.093 873 HG22 VAL 112 1HG2 VAL 112 -9.045 10.704 9.859 874 HG23 VAL 112 2HG2 VAL 112 -8.161 12.012 9.032 875 HA PRO 113 HA PRO 113 -7.667 10.455 14.349 876 HB2 PRO 113 2HB PRO 113 -10.111 12.054 13.561 877 HB3 PRO 113 3HB PRO 113 -9.195 12.072 15.101 878 HG2 PRO 113 2HG PRO 113 -8.795 14.028 13.282 879 HG3 PRO 113 3HG PRO 113 -7.378 13.267 14.082 880 HD2 PRO 113 2HD PRO 113 -8.528 12.679 11.340 881 HD3 PRO 113 3HD PRO 113 -6.822 12.933 11.824 882 H ASN 114 H ASN 114 -8.367 8.450 14.758 883 HA ASN 114 HA ASN 114 -10.859 7.327 13.715 884 HB2 ASN 114 2HB ASN 114 -9.411 6.991 11.823 885 HB3 ASN 114 3HB ASN 114 -8.088 6.408 12.831 886 HD21 ASN 114 1HD2 ASN 114 -7.945 4.227 13.175 887 HD22 ASN 114 2HD2 ASN 114 -9.193 3.093 12.647 888 H LEU 115 H LEU 115 -11.409 5.393 14.697 889 HA LEU 115 HA LEU 115 -10.577 5.274 17.474 890 HB2 LEU 115 2HB LEU 115 -12.598 4.301 17.885 891 HB3 LEU 115 3HB LEU 115 -12.950 5.395 16.571 892 HG LEU 115 HG LEU 115 -12.654 2.353 16.386 893 HD11 LEU 115 1HD1 LEU 115 -14.713 3.142 17.490 894 HD12 LEU 115 2HD1 LEU 115 -15.059 2.395 15.924 895 HD13 LEU 115 3HD1 LEU 115 -15.081 4.166 16.084 896 HD21 LEU 115 3HD2 LEU 115 -11.941 3.290 14.243 897 HD22 LEU 115 1HD2 LEU 115 -13.375 4.352 14.196 898 HD23 LEU 115 2HD2 LEU 115 -13.549 2.590 14.076 899 H ASN 116 H ASN 116 -9.370 3.616 14.915 900 HA ASN 116 HA ASN 116 -8.548 1.600 14.384 901 HB2 ASN 116 2HB ASN 116 -6.879 2.457 16.041 902 HB3 ASN 116 3HB ASN 116 -7.614 1.415 17.257 903 HD21 ASN 116 2HD2 ASN 116 -4.967 1.094 16.768 904 HD22 ASN 116 1HD2 ASN 116 -4.668 -0.319 15.755 Start of MODEL 15 1 H1 MET 1 1H MET 1 -24.626 -12.528 -11.784 2 HA MET 1 HA MET 1 -25.657 -14.930 -10.433 3 HB2 MET 1 2HB MET 1 -25.772 -14.988 -12.932 4 HB3 MET 1 3HB MET 1 -24.017 -14.864 -13.002 5 HG2 MET 1 2HG MET 1 -25.542 -17.058 -11.532 6 HG3 MET 1 3HG MET 1 -25.027 -17.174 -13.209 7 HE1 MET 1 3HE MET 1 -24.406 -19.377 -11.015 8 HE2 MET 1 1HE MET 1 -23.916 -19.501 -12.721 9 HE3 MET 1 2HE MET 1 -22.724 -19.775 -11.431 10 H THR 2 H THR 2 -22.456 -13.835 -11.778 11 HA THR 2 HA THR 2 -21.016 -15.009 -9.547 12 HB THR 2 HB THR 2 -19.052 -13.847 -10.630 13 HG1 THR 2 HG1 THR 2 -19.417 -12.967 -12.668 14 HG21 THR 2 3HG2 THR 2 -18.979 -15.319 -12.575 15 HG22 THR 2 1HG2 THR 2 -20.736 -15.568 -12.503 16 HG23 THR 2 2HG2 THR 2 -19.693 -16.183 -11.203 17 H ASP 3 H ASP 3 -19.522 -13.836 -8.173 18 HA ASP 3 HA ASP 3 -20.114 -11.005 -7.567 19 HB2 ASP 3 2HB ASP 3 -21.740 -12.242 -6.210 20 HB3 ASP 3 3HB ASP 3 -20.461 -13.281 -5.574 21 H SER 4 H SER 4 -18.471 -9.943 -6.481 22 HA SER 4 HA SER 4 -15.815 -11.284 -6.543 23 HB2 SER 4 2HB SER 4 -16.485 -8.330 -6.664 24 HB3 SER 4 3HB SER 4 -14.886 -9.068 -6.878 25 HG SER 4 HG SER 4 -15.910 -8.608 -8.884 26 H GLU 5 H GLU 5 -17.809 -11.158 -4.156 27 HA GLU 5 HA GLU 5 -17.827 -10.978 -1.951 28 HB2 GLU 5 2HB GLU 5 -14.804 -11.092 -2.077 29 HB3 GLU 5 3HB GLU 5 -15.803 -11.362 -0.653 30 HG2 GLU 5 2HG GLU 5 -16.906 -13.240 -1.808 31 HG3 GLU 5 3HG GLU 5 -15.795 -13.034 -3.159 32 H LYS 6 H LYS 6 -17.247 -8.420 -3.648 33 HA LYS 6 HA LYS 6 -17.277 -6.168 -3.361 34 HB2 LYS 6 2HB LYS 6 -18.908 -6.975 -0.930 35 HB3 LYS 6 3HB LYS 6 -18.937 -5.396 -1.725 36 HG2 LYS 6 2HG LYS 6 -19.711 -6.472 -3.836 37 HG3 LYS 6 3HG LYS 6 -19.783 -8.035 -2.995 38 HD2 LYS 6 2HD LYS 6 -21.446 -7.121 -1.403 39 HD3 LYS 6 3HD LYS 6 -21.321 -5.536 -2.174 40 HE2 LYS 6 2HE LYS 6 -23.314 -6.545 -2.989 41 HE3 LYS 6 3HE LYS 6 -22.151 -6.519 -4.318 42 HZ1 LYS 6 3HZ LYS 6 -23.345 -8.656 -4.090 43 HZ2 LYS 6 1HZ LYS 6 -22.682 -8.905 -2.620 44 HZ3 LYS 6 2HZ LYS 6 -21.741 -8.880 -3.968 45 H SER 7 H SER 7 -14.856 -7.321 -2.148 46 HA SER 7 HA SER 7 -14.222 -5.629 0.134 47 HB2 SER 7 2HB SER 7 -11.945 -6.503 -0.134 48 HB3 SER 7 3HB SER 7 -13.175 -7.764 0.021 49 HG SER 7 HG SER 7 -11.644 -8.207 -1.631 50 H ALA 8 H ALA 8 -12.605 -4.015 0.225 51 HA ALA 8 HA ALA 8 -12.955 -2.191 -2.084 52 HB1 ALA 8 3HB ALA 8 -12.956 -0.427 -0.430 53 HB2 ALA 8 1HB ALA 8 -14.077 -1.711 0.055 54 HB3 ALA 8 2HB ALA 8 -12.484 -1.578 0.832 55 H THR 9 H THR 9 -10.360 -4.016 -1.496 56 HA THR 9 HA THR 9 -8.265 -1.968 -1.655 57 HB THR 9 HB THR 9 -7.034 -4.144 -2.666 58 HG1 THR 9 HG1 THR 9 -7.826 -5.986 -1.775 59 HG21 THR 9 3HG2 THR 9 -6.326 -4.723 -0.371 60 HG22 THR 9 1HG2 THR 9 -7.597 -3.658 0.270 61 HG23 THR 9 2HG2 THR 9 -6.268 -2.985 -0.694 62 H ILE 10 H ILE 10 -7.016 -1.472 -3.458 63 HA ILE 10 HA ILE 10 -8.153 -2.097 -6.159 64 HB ILE 10 HB ILE 10 -7.658 0.163 -6.890 65 HG12 ILE 10 2HG1 ILE 10 -6.989 0.831 -3.987 66 HG13 ILE 10 3HG1 ILE 10 -5.822 0.690 -5.308 67 HG21 ILE 10 1HG2 ILE 10 -9.559 1.259 -5.895 68 HG22 ILE 10 2HG2 ILE 10 -9.912 -0.468 -5.985 69 HG23 ILE 10 3HG2 ILE 10 -9.450 0.261 -4.431 70 HD11 ILE 10 3HD1 ILE 10 -6.965 2.560 -6.500 71 HD12 ILE 10 1HD1 ILE 10 -8.012 2.782 -5.075 72 HD13 ILE 10 2HD1 ILE 10 -6.263 3.020 -4.935 73 H LYS 11 H LYS 11 -6.541 -1.662 -7.953 74 HA LYS 11 HA LYS 11 -3.713 -2.084 -7.093 75 HB2 LYS 11 2HB LYS 11 -3.307 -3.642 -8.874 76 HB3 LYS 11 3HB LYS 11 -4.567 -4.242 -7.796 77 HG2 LYS 11 2HG LYS 11 -6.306 -3.539 -9.451 78 HG3 LYS 11 3HG LYS 11 -5.021 -2.974 -10.539 79 HD2 LYS 11 2HD LYS 11 -4.094 -5.272 -10.640 80 HD3 LYS 11 3HD LYS 11 -5.386 -5.838 -9.557 81 HE2 LYS 11 2HE LYS 11 -7.089 -5.102 -11.213 82 HE3 LYS 11 3HE LYS 11 -5.805 -4.541 -12.291 83 HZ1 LYS 11 3HZ LYS 11 -6.569 -6.760 -12.909 84 HZ2 LYS 11 1HZ LYS 11 -6.201 -7.362 -11.439 85 HZ3 LYS 11 2HZ LYS 11 -5.011 -6.844 -12.434 86 H VAL 12 H VAL 12 -2.129 -1.114 -8.234 87 HA VAL 12 HA VAL 12 -2.901 0.850 -10.346 88 HB VAL 12 HB VAL 12 -1.553 2.585 -9.227 89 HG11 VAL 12 1HG1 VAL 12 -3.214 3.250 -7.602 90 HG12 VAL 12 2HG1 VAL 12 -4.014 2.524 -9.008 91 HG13 VAL 12 3HG1 VAL 12 -3.853 1.602 -7.497 92 HG21 VAL 12 3HG2 VAL 12 -1.606 0.792 -6.762 93 HG22 VAL 12 1HG2 VAL 12 -0.167 1.156 -7.730 94 HG23 VAL 12 2HG2 VAL 12 -0.997 2.453 -6.861 95 H THR 13 H THR 13 -1.076 1.902 -11.348 96 HA THR 13 HA THR 13 1.374 0.234 -11.744 97 HB THR 13 HB THR 13 1.204 0.640 -14.147 98 HG1 THR 13 HG1 THR 13 -0.717 1.542 -14.980 99 HG21 THR 13 3HG2 THR 13 0.063 -1.392 -13.235 100 HG22 THR 13 1HG2 THR 13 -0.638 -0.790 -14.748 101 HG23 THR 13 2HG2 THR 13 -1.465 -0.481 -13.207 102 H ASP 14 H ASP 14 2.980 1.604 -13.192 103 HA ASP 14 HA ASP 14 3.723 4.023 -11.866 104 HB2 ASP 14 2HB ASP 14 5.261 2.633 -13.164 105 HB3 ASP 14 3HB ASP 14 4.374 2.967 -14.646 106 H ALA 15 H ALA 15 1.476 3.522 -14.563 107 HA ALA 15 HA ALA 15 1.230 6.401 -15.138 108 HB1 ALA 15 3HB ALA 15 1.128 4.760 -16.959 109 HB2 ALA 15 1HB ALA 15 -0.283 3.980 -16.205 110 HB3 ALA 15 2HB ALA 15 -0.402 5.645 -16.812 111 H SER 16 H SER 16 -0.877 3.831 -13.710 112 HA SER 16 HA SER 16 -3.019 5.745 -13.244 113 HB2 SER 16 2HB SER 16 -4.240 3.849 -12.275 114 HB3 SER 16 3HB SER 16 -3.616 3.527 -13.899 115 HG SER 16 HG SER 16 -2.096 2.207 -13.097 116 H PHE 17 H PHE 17 -0.383 4.659 -11.221 117 HA PHE 17 HA PHE 17 -1.339 5.057 -8.625 118 HB2 PHE 17 2HB PHE 17 0.835 4.191 -9.029 119 HB3 PHE 17 3HB PHE 17 1.310 5.579 -9.999 120 HD1 PHE 17 HD1 PHE 17 0.519 4.503 -6.501 121 HD2 PHE 17 HD2 PHE 17 2.419 7.425 -9.045 122 HE1 PHE 17 HE1 PHE 17 1.611 5.536 -4.516 123 HE2 PHE 17 HE2 PHE 17 3.527 8.427 -7.063 124 HZ PHE 17 HZ PHE 17 3.097 7.502 -4.806 125 H ALA 18 H ALA 18 -0.290 7.623 -10.936 126 HA ALA 18 HA ALA 18 -0.638 9.748 -9.052 127 HB1 ALA 18 3HB ALA 18 -0.651 9.789 -12.095 128 HB2 ALA 18 1HB ALA 18 -0.460 11.202 -11.030 129 HB3 ALA 18 2HB ALA 18 0.778 9.934 -11.038 130 H THR 19 H THR 19 -2.928 8.123 -11.183 131 HA THR 19 HA THR 19 -5.060 10.115 -10.789 132 HB THR 19 HB THR 19 -5.286 7.412 -12.158 133 HG1 THR 19 HG1 THR 19 -4.356 9.835 -13.309 134 HG21 THR 19 3HG2 THR 19 -7.412 8.597 -12.020 135 HG22 THR 19 1HG2 THR 19 -6.831 8.664 -13.684 136 HG23 THR 19 2HG2 THR 19 -6.669 10.091 -12.634 137 H ASP 20 H ASP 20 -4.116 7.083 -9.328 138 HA ASP 20 HA ASP 20 -6.740 6.890 -7.904 139 HB2 ASP 20 2HB ASP 20 -4.640 4.880 -8.676 140 HB3 ASP 20 3HB ASP 20 -5.802 4.540 -7.401 141 H VAL 21 H VAL 21 -3.297 7.361 -7.204 142 HA VAL 21 HA VAL 21 -3.912 7.288 -4.269 143 HB VAL 21 HB VAL 21 -1.201 7.031 -5.606 144 HG11 VAL 21 1HG1 VAL 21 -1.037 8.008 -3.360 145 HG12 VAL 21 2HG1 VAL 21 -2.054 6.710 -2.703 146 HG13 VAL 21 3HG1 VAL 21 -0.448 6.352 -3.361 147 HG21 VAL 21 3HG2 VAL 21 -1.306 4.669 -4.845 148 HG22 VAL 21 1HG2 VAL 21 -2.985 4.914 -4.319 149 HG23 VAL 21 2HG2 VAL 21 -2.550 5.018 -6.040 150 H LEU 22 H LEU 22 -1.913 9.172 -6.628 151 HA LEU 22 HA LEU 22 -1.610 11.330 -4.717 152 HB2 LEU 22 2HB LEU 22 -1.065 11.482 -7.679 153 HB3 LEU 22 3HB LEU 22 -0.446 12.535 -6.416 154 HG LEU 22 HG LEU 22 0.240 9.599 -6.789 155 HD11 LEU 22 1HD1 LEU 22 1.242 11.120 -8.457 156 HD12 LEU 22 2HD1 LEU 22 2.477 10.479 -7.365 157 HD13 LEU 22 3HD1 LEU 22 1.887 12.137 -7.152 158 HD21 LEU 22 3HD2 LEU 22 1.385 11.558 -4.764 159 HD22 LEU 22 1HD2 LEU 22 1.946 9.902 -5.053 160 HD23 LEU 22 2HD2 LEU 22 0.339 10.170 -4.378 161 H SER 23 H SER 23 -4.200 10.551 -6.755 162 HA SER 23 HA SER 23 -5.352 13.190 -7.119 163 HB2 SER 23 2HB SER 23 -7.309 11.895 -7.857 164 HB3 SER 23 3HB SER 23 -5.813 11.328 -8.624 165 HG SER 23 HG SER 23 -6.934 9.554 -7.892 166 H SER 24 H SER 24 -5.135 11.077 -4.382 167 HA SER 24 HA SER 24 -7.762 11.139 -3.438 168 HB2 SER 24 2HB SER 24 -6.832 10.102 -1.456 169 HB3 SER 24 3HB SER 24 -6.126 9.408 -2.913 170 HG SER 24 HG SER 24 -4.242 10.296 -2.469 171 H ASN 25 H ASN 25 -8.701 11.943 -1.585 172 HA ASN 25 HA ASN 25 -7.619 14.458 -0.405 173 HB2 ASN 25 2HB ASN 25 -9.891 15.191 -0.103 174 HB3 ASN 25 3HB ASN 25 -9.647 14.777 -1.794 175 HD21 ASN 25 1HD2 ASN 25 -12.210 14.999 -0.960 176 HD22 ASN 25 2HD2 ASN 25 -12.936 13.403 -0.824 177 H LYS 26 H LYS 26 -7.233 11.561 0.349 178 HA LYS 26 HA LYS 26 -8.021 11.578 3.214 179 HB2 LYS 26 2HB LYS 26 -8.859 9.244 2.984 180 HB3 LYS 26 3HB LYS 26 -9.845 10.397 2.097 181 HG2 LYS 26 2HG LYS 26 -9.130 9.622 -0.002 182 HG3 LYS 26 3HG LYS 26 -7.623 8.964 0.628 183 HD2 LYS 26 2HD LYS 26 -9.033 7.165 -0.013 184 HD3 LYS 26 3HD LYS 26 -8.804 7.140 1.735 185 HE2 LYS 26 2HE LYS 26 -11.069 8.143 2.042 186 HE3 LYS 26 3HE LYS 26 -11.272 8.182 0.284 187 HZ1 LYS 26 3HZ LYS 26 -12.320 6.195 1.123 188 HZ2 LYS 26 1HZ LYS 26 -11.017 5.727 1.960 189 HZ3 LYS 26 2HZ LYS 26 -10.952 5.698 0.345 190 HA PRO 27 HA PRO 27 -4.146 9.206 3.747 191 HB2 PRO 27 2HB PRO 27 -5.853 7.260 5.279 192 HB3 PRO 27 3HB PRO 27 -4.244 7.917 5.699 193 HG2 PRO 27 2HG PRO 27 -6.488 8.899 6.870 194 HG3 PRO 27 3HG PRO 27 -5.197 10.016 6.332 195 HD2 PRO 27 2HD PRO 27 -7.800 9.347 4.950 196 HD3 PRO 27 3HD PRO 27 -7.010 10.931 5.167 197 H VAL 28 H VAL 28 -3.210 7.674 2.413 198 HA VAL 28 HA VAL 28 -4.817 5.391 1.412 199 HB VAL 28 HB VAL 28 -3.153 7.083 -0.482 200 HG11 VAL 28 1HG1 VAL 28 -3.131 4.702 -1.106 201 HG12 VAL 28 2HG1 VAL 28 -4.895 4.608 -0.914 202 HG13 VAL 28 3HG1 VAL 28 -4.184 5.586 -2.210 203 HG21 VAL 28 3HG2 VAL 28 -6.177 6.780 -0.250 204 HG22 VAL 28 1HG2 VAL 28 -5.229 8.266 -0.020 205 HG23 VAL 28 2HG2 VAL 28 -5.326 7.531 -1.618 206 H LEU 29 H LEU 29 -3.799 3.563 1.725 207 HA LEU 29 HA LEU 29 -0.868 3.479 2.284 208 HB2 LEU 29 2HB LEU 29 -2.768 2.443 3.784 209 HB3 LEU 29 3HB LEU 29 -2.967 1.307 2.502 210 HG LEU 29 HG LEU 29 -0.645 0.491 2.794 211 HD11 LEU 29 1HD1 LEU 29 0.449 2.472 3.757 212 HD12 LEU 29 2HD1 LEU 29 0.600 1.100 4.856 213 HD13 LEU 29 3HD1 LEU 29 -0.592 2.366 5.200 214 HD21 LEU 29 3HD2 LEU 29 -2.320 0.510 5.341 215 HD22 LEU 29 1HD2 LEU 29 -1.066 -0.666 4.911 216 HD23 LEU 29 2HD2 LEU 29 -2.547 -0.578 3.955 217 H VAL 30 H VAL 30 0.550 2.598 0.773 218 HA VAL 30 HA VAL 30 -0.613 0.865 -1.371 219 HB VAL 30 HB VAL 30 1.793 2.619 -1.833 220 HG11 VAL 30 1HG1 VAL 30 -0.047 1.078 -3.709 221 HG12 VAL 30 2HG1 VAL 30 1.307 2.116 -4.201 222 HG13 VAL 30 3HG1 VAL 30 1.626 0.643 -3.285 223 HG21 VAL 30 3HG2 VAL 30 -0.094 4.145 -1.510 224 HG22 VAL 30 1HG2 VAL 30 0.323 4.045 -3.220 225 HG23 VAL 30 2HG2 VAL 30 -1.099 3.179 -2.602 226 H ASP 31 H ASP 31 0.181 -1.076 -1.535 227 HA ASP 31 HA ASP 31 2.581 -1.873 0.067 228 HB2 ASP 31 2HB ASP 31 0.571 -2.928 0.795 229 HB3 ASP 31 3HB ASP 31 0.088 -3.293 -0.849 230 H PHE 32 H PHE 32 4.375 -2.329 -0.948 231 HA PHE 32 HA PHE 32 4.465 -2.935 -3.838 232 HB2 PHE 32 2HB PHE 32 6.617 -2.396 -1.774 233 HB3 PHE 32 3HB PHE 32 6.938 -2.842 -3.429 234 HD1 PHE 32 HD1 PHE 32 5.890 -1.360 -5.320 235 HD2 PHE 32 HD2 PHE 32 6.346 -0.102 -1.230 236 HE1 PHE 32 HE1 PHE 32 5.839 1.015 -6.037 237 HE2 PHE 32 HE2 PHE 32 6.320 2.270 -1.952 238 HZ PHE 32 HZ PHE 32 5.993 2.830 -4.350 239 H TRP 33 H TRP 33 4.360 -4.961 -4.504 240 HA TRP 33 HA TRP 33 5.500 -7.182 -2.917 241 HB2 TRP 33 2HB TRP 33 3.517 -8.412 -2.746 242 HB3 TRP 33 3HB TRP 33 3.196 -6.833 -2.063 243 HD1 TRP 33 HD1 TRP 33 2.583 -5.769 -5.288 244 HE1 TRP 33 HE1 TRP 33 0.257 -6.279 -6.212 245 HE3 TRP 33 HE3 TRP 33 1.183 -9.420 -1.977 246 HZ2 TRP 33 HZ2 TRP 33 -2.083 -7.769 -5.345 247 HZ3 TRP 33 HZ3 TRP 33 -1.108 -10.364 -2.059 248 HH2 TRP 33 HH2 TRP 33 -2.756 -9.527 -3.715 249 H ALA 34 H ALA 34 5.147 -9.335 -4.022 250 HA ALA 34 HA ALA 34 4.876 -9.254 -6.949 251 HB1 ALA 34 3HB ALA 34 7.373 -10.273 -5.515 252 HB2 ALA 34 1HB ALA 34 7.008 -10.505 -7.238 253 HB3 ALA 34 2HB ALA 34 7.284 -8.873 -6.605 254 H THR 35 H THR 35 4.576 -11.415 -7.860 255 HA THR 35 HA THR 35 2.841 -13.100 -6.471 256 HB THR 35 HB THR 35 4.642 -13.975 -8.763 257 HG1 THR 35 HG1 THR 35 3.102 -13.035 -10.104 258 HG21 THR 35 3HG2 THR 35 3.168 -15.768 -7.941 259 HG22 THR 35 1HG2 THR 35 2.596 -15.195 -9.509 260 HG23 THR 35 2HG2 THR 35 1.760 -14.679 -8.028 261 H TRP 36 H TRP 36 6.360 -13.245 -6.541 262 HA TRP 36 HA TRP 36 6.486 -15.867 -5.217 263 HB2 TRP 36 2HB TRP 36 8.978 -15.407 -5.423 264 HB3 TRP 36 3HB TRP 36 8.056 -15.600 -6.896 265 HD1 TRP 36 HD1 TRP 36 8.283 -13.825 -8.679 266 HE1 TRP 36 HE1 TRP 36 9.365 -11.507 -8.902 267 HE3 TRP 36 HE3 TRP 36 9.595 -13.084 -3.773 268 HZ2 TRP 36 HZ2 TRP 36 10.590 -9.563 -7.157 269 HZ3 TRP 36 HZ3 TRP 36 10.699 -10.976 -3.084 270 HH2 TRP 36 HH2 TRP 36 11.195 -9.205 -4.757 271 H CYS 37 H CYS 37 5.847 -12.827 -3.961 272 HA CYS 37 HA CYS 37 7.722 -12.945 -1.707 273 HB2 CYS 37 2HB CYS 37 7.167 -10.814 -2.736 274 HB3 CYS 37 3HB CYS 37 5.458 -11.065 -2.360 275 H GLY 38 H GLY 38 7.370 -14.540 -0.311 276 HA2 GLY 38 2HA GLY 38 5.008 -15.695 0.632 277 HA3 GLY 38 3HA GLY 38 6.529 -15.619 1.522 278 HA PRO 39 HA PRO 39 4.767 -12.848 4.449 279 HB2 PRO 39 2HB PRO 39 6.157 -10.475 4.601 280 HB3 PRO 39 3HB PRO 39 6.764 -12.047 5.203 281 HG2 PRO 39 2HG PRO 39 7.344 -10.715 2.551 282 HG3 PRO 39 3HG PRO 39 8.504 -11.457 3.694 283 HD2 PRO 39 2HD PRO 39 7.607 -12.806 1.528 284 HD3 PRO 39 3HD PRO 39 7.835 -13.655 3.084 285 H CYS 40 H CYS 40 5.134 -11.224 1.277 286 HA CYS 40 HA CYS 40 3.108 -9.235 1.681 287 HB2 CYS 40 2HB CYS 40 3.740 -10.576 -0.957 288 HB3 CYS 40 3HB CYS 40 3.031 -8.997 -0.650 289 H LYS 41 H LYS 41 2.950 -12.555 0.246 290 HA LYS 41 HA LYS 41 0.077 -12.595 -0.061 291 HB2 LYS 41 2HB LYS 41 2.248 -14.715 0.043 292 HB3 LYS 41 3HB LYS 41 0.536 -15.164 0.001 293 HG2 LYS 41 2HG LYS 41 0.174 -13.904 -2.048 294 HG3 LYS 41 3HG LYS 41 1.854 -13.339 -2.059 295 HD2 LYS 41 2HD LYS 41 2.705 -15.533 -2.479 296 HD3 LYS 41 3HD LYS 41 1.147 -16.301 -2.092 297 HE2 LYS 41 2HE LYS 41 0.084 -15.291 -4.034 298 HE3 LYS 41 3HE LYS 41 1.548 -14.374 -4.418 299 HZ1 LYS 41 3HZ LYS 41 1.487 -17.343 -4.372 300 HZ2 LYS 41 1HZ LYS 41 2.689 -16.366 -4.943 301 HZ3 LYS 41 2HZ LYS 41 1.263 -16.464 -5.731 302 H MET 42 H MET 42 2.128 -13.407 2.719 303 HA MET 42 HA MET 42 0.032 -14.452 4.358 304 HB2 MET 42 2HB MET 42 2.441 -14.754 4.748 305 HB3 MET 42 3HB MET 42 2.605 -13.056 5.186 306 HG2 MET 42 2HG MET 42 0.709 -14.932 6.630 307 HG3 MET 42 3HG MET 42 2.412 -14.840 7.046 308 HE1 MET 42 3HE MET 42 3.259 -11.802 6.993 309 HE2 MET 42 1HE MET 42 2.893 -11.388 8.680 310 HE3 MET 42 2HE MET 42 3.603 -12.968 8.292 311 H VAL 43 H VAL 43 1.197 -11.020 4.014 312 HA VAL 43 HA VAL 43 -0.863 -10.130 5.897 313 HB VAL 43 HB VAL 43 -0.089 -7.904 5.573 314 HG11 VAL 43 1HG1 VAL 43 2.267 -9.793 5.870 315 HG12 VAL 43 2HG1 VAL 43 2.148 -8.121 6.447 316 HG13 VAL 43 3HG1 VAL 43 1.103 -9.371 7.145 317 HG21 VAL 43 3HG2 VAL 43 0.470 -7.914 3.160 318 HG22 VAL 43 1HG2 VAL 43 1.786 -7.284 4.158 319 HG23 VAL 43 2HG2 VAL 43 1.878 -8.926 3.506 320 H ALA 44 H ALA 44 -0.855 -10.558 2.446 321 HA ALA 44 HA ALA 44 -2.413 -8.663 1.410 322 HB1 ALA 44 3HB ALA 44 -2.773 -11.639 0.925 323 HB2 ALA 44 1HB ALA 44 -3.270 -10.331 -0.170 324 HB3 ALA 44 2HB ALA 44 -1.552 -10.581 0.197 325 HA PRO 45 HA PRO 45 -6.715 -10.258 2.907 326 HB2 PRO 45 2HB PRO 45 -6.864 -11.742 5.228 327 HB3 PRO 45 3HB PRO 45 -6.777 -12.443 3.584 328 HG2 PRO 45 2HG PRO 45 -4.486 -11.966 5.521 329 HG3 PRO 45 3HG PRO 45 -4.883 -13.470 4.624 330 HD2 PRO 45 2HD PRO 45 -3.028 -11.807 3.682 331 HD3 PRO 45 3HD PRO 45 -4.211 -12.513 2.553 332 H VAL 46 H VAL 46 -4.146 -9.337 5.210 333 HA VAL 46 HA VAL 46 -5.867 -7.848 7.026 334 HB VAL 46 HB VAL 46 -2.892 -7.452 6.474 335 HG11 VAL 46 1HG1 VAL 46 -3.873 -5.544 7.625 336 HG12 VAL 46 2HG1 VAL 46 -4.651 -6.639 8.780 337 HG13 VAL 46 3HG1 VAL 46 -2.868 -6.478 8.725 338 HG21 VAL 46 3HG2 VAL 46 -2.523 -8.831 8.489 339 HG22 VAL 46 1HG2 VAL 46 -4.269 -9.160 8.597 340 HG23 VAL 46 2HG2 VAL 46 -3.313 -9.776 7.230 341 H LEU 47 H LEU 47 -4.111 -7.091 4.042 342 HA LEU 47 HA LEU 47 -4.558 -4.232 4.089 343 HB2 LEU 47 2HB LEU 47 -4.229 -5.701 1.481 344 HB3 LEU 47 3HB LEU 47 -3.539 -4.173 1.986 345 HG LEU 47 HG LEU 47 -2.735 -6.923 2.909 346 HD11 LEU 47 1HD1 LEU 47 -2.165 -6.461 0.562 347 HD12 LEU 47 2HD1 LEU 47 -0.708 -6.614 1.556 348 HD13 LEU 47 3HD1 LEU 47 -1.264 -5.002 1.073 349 HD21 LEU 47 3HD2 LEU 47 -0.686 -5.800 3.848 350 HD22 LEU 47 1HD2 LEU 47 -2.169 -5.291 4.653 351 HD23 LEU 47 2HD2 LEU 47 -1.405 -4.224 3.454 352 H GLU 48 H GLU 48 -6.088 -6.946 2.348 353 HA GLU 48 HA GLU 48 -8.302 -5.574 1.180 354 HB2 GLU 48 2HB GLU 48 -7.572 -7.918 0.725 355 HB3 GLU 48 3HB GLU 48 -8.186 -8.405 2.307 356 HG2 GLU 48 2HG GLU 48 -10.467 -7.765 1.650 357 HG3 GLU 48 3HG GLU 48 -9.851 -7.085 0.138 358 H GLU 49 H GLU 49 -7.830 -6.917 4.458 359 HA GLU 49 HA GLU 49 -10.600 -6.431 5.179 360 HB2 GLU 49 2HB GLU 49 -8.184 -7.260 6.790 361 HB3 GLU 49 3HB GLU 49 -9.642 -6.697 7.604 362 HG2 GLU 49 2HG GLU 49 -11.024 -8.367 6.532 363 HG3 GLU 49 3HG GLU 49 -9.687 -8.935 5.544 364 H ILE 50 H ILE 50 -7.590 -4.602 6.045 365 HA ILE 50 HA ILE 50 -8.955 -2.517 7.448 366 HB ILE 50 HB ILE 50 -6.397 -2.674 5.872 367 HG12 ILE 50 2HG1 ILE 50 -6.426 -3.903 7.996 368 HG13 ILE 50 3HG1 ILE 50 -5.268 -2.588 8.043 369 HG21 ILE 50 1HG2 ILE 50 -7.382 -0.201 7.321 370 HG22 ILE 50 2HG2 ILE 50 -5.662 -0.500 6.975 371 HG23 ILE 50 3HG2 ILE 50 -6.803 -0.369 5.645 372 HD11 ILE 50 3HD1 ILE 50 -6.865 -1.211 9.376 373 HD12 ILE 50 1HD1 ILE 50 -7.998 -2.587 9.397 374 HD13 ILE 50 2HD1 ILE 50 -6.411 -2.724 10.162 375 H ALA 51 H ALA 51 -8.289 -2.836 3.909 376 HA ALA 51 HA ALA 51 -9.375 -0.274 3.223 377 HB1 ALA 51 3HB ALA 51 -9.547 -1.195 0.975 378 HB2 ALA 51 1HB ALA 51 -8.031 -1.732 1.714 379 HB3 ALA 51 2HB ALA 51 -9.398 -2.854 1.597 380 H THR 52 H THR 52 -10.948 -3.501 3.581 381 HA THR 52 HA THR 52 -13.536 -2.515 2.693 382 HB THR 52 HB THR 52 -12.805 -5.130 4.048 383 HG1 THR 52 HG1 THR 52 -11.658 -5.071 2.259 384 HG21 THR 52 3HG2 THR 52 -14.764 -6.003 2.771 385 HG22 THR 52 1HG2 THR 52 -15.161 -4.344 2.267 386 HG23 THR 52 2HG2 THR 52 -15.248 -4.808 3.983 387 H GLU 53 H GLU 53 -11.996 -2.939 5.885 388 HA GLU 53 HA GLU 53 -14.561 -2.517 7.285 389 HB2 GLU 53 2HB GLU 53 -11.719 -2.797 8.341 390 HB3 GLU 53 3HB GLU 53 -13.175 -2.618 9.322 391 HG2 GLU 53 2HG GLU 53 -14.037 -4.688 7.900 392 HG3 GLU 53 3HG GLU 53 -12.346 -4.986 7.630 393 H ARG 54 H ARG 54 -11.785 -0.519 6.408 394 HA ARG 54 HA ARG 54 -12.999 1.837 7.821 395 HB2 ARG 54 2HB ARG 54 -10.058 1.226 7.414 396 HB3 ARG 54 3HB ARG 54 -10.736 2.603 8.276 397 HG2 ARG 54 2HG ARG 54 -10.933 -0.303 9.142 398 HG3 ARG 54 3HG ARG 54 -9.861 0.917 9.813 399 HD2 ARG 54 2HD ARG 54 -12.906 1.049 9.920 400 HD3 ARG 54 3HD ARG 54 -11.880 0.459 11.211 401 HE ARG 54 HE ARG 54 -12.060 3.298 10.235 402 HH11 ARG 54 1HH1 ARG 54 -10.918 1.161 12.792 403 HH12 ARG 54 2HH1 ARG 54 -10.611 2.512 13.851 404 HH21 ARG 54 1HH2 ARG 54 -11.685 4.844 11.541 405 HH22 ARG 54 2HH2 ARG 54 -11.023 4.600 13.159 406 H ALA 55 H ALA 55 -13.514 1.053 5.053 407 HA ALA 55 HA ALA 55 -12.227 2.596 3.136 408 HB1 ALA 55 3HB ALA 55 -14.348 2.436 1.886 409 HB2 ALA 55 1HB ALA 55 -13.990 0.904 2.698 410 HB3 ALA 55 2HB ALA 55 -15.214 2.001 3.375 411 H THR 56 H THR 56 -14.532 3.786 5.556 412 HA THR 56 HA THR 56 -14.948 6.403 4.430 413 HB THR 56 HB THR 56 -15.151 5.623 7.361 414 HG1 THR 56 HG1 THR 56 -17.245 4.954 6.873 415 HG21 THR 56 3HG2 THR 56 -15.578 8.010 6.935 416 HG22 THR 56 1HG2 THR 56 -17.090 7.192 7.334 417 HG23 THR 56 2HG2 THR 56 -16.724 7.597 5.640 418 H ASP 57 H ASP 57 -12.356 5.043 6.372 419 HA ASP 57 HA ASP 57 -11.262 7.730 7.077 420 HB2 ASP 57 2HB ASP 57 -10.597 4.928 8.030 421 HB3 ASP 57 3HB ASP 57 -9.726 6.372 8.518 422 H LEU 58 H LEU 58 -10.457 4.784 5.208 423 HA LEU 58 HA LEU 58 -8.304 6.285 3.858 424 HB2 LEU 58 2HB LEU 58 -6.590 4.660 4.268 425 HB3 LEU 58 3HB LEU 58 -7.136 5.394 5.732 426 HG LEU 58 HG LEU 58 -6.493 2.920 5.704 427 HD11 LEU 58 1HD1 LEU 58 -7.976 2.393 7.514 428 HD12 LEU 58 2HD1 LEU 58 -9.133 3.630 6.976 429 HD13 LEU 58 3HD1 LEU 58 -7.548 4.105 7.612 430 HD21 LEU 58 3HD2 LEU 58 -7.842 2.094 3.845 431 HD22 LEU 58 1HD2 LEU 58 -9.336 2.527 4.724 432 HD23 LEU 58 2HD2 LEU 58 -8.269 1.289 5.360 433 H THR 59 H THR 59 -7.148 4.829 2.216 434 HA THR 59 HA THR 59 -8.821 2.651 1.079 435 HB THR 59 HB THR 59 -7.466 4.812 -0.581 436 HG1 THR 59 HG1 THR 59 -9.638 4.933 -1.414 437 HG21 THR 59 3HG2 THR 59 -8.862 2.250 -1.474 438 HG22 THR 59 1HG2 THR 59 -7.158 2.693 -1.759 439 HG23 THR 59 2HG2 THR 59 -8.441 3.604 -2.545 440 H VAL 60 H VAL 60 -7.514 0.906 0.221 441 HA VAL 60 HA VAL 60 -4.572 1.212 0.581 442 HB VAL 60 HB VAL 60 -6.002 -1.367 1.154 443 HG11 VAL 60 1HG1 VAL 60 -3.771 -1.948 2.181 444 HG12 VAL 60 2HG1 VAL 60 -3.815 -1.855 0.417 445 HG13 VAL 60 3HG1 VAL 60 -3.105 -0.533 1.352 446 HG21 VAL 60 3HG2 VAL 60 -6.625 0.107 2.944 447 HG22 VAL 60 1HG2 VAL 60 -5.396 -1.007 3.533 448 HG23 VAL 60 2HG2 VAL 60 -4.960 0.671 3.140 449 H ALA 61 H ALA 61 -3.340 0.627 -1.067 450 HA ALA 61 HA ALA 61 -4.608 -0.593 -3.465 451 HB1 ALA 61 3HB ALA 61 -4.305 1.862 -3.637 452 HB2 ALA 61 1HB ALA 61 -2.569 1.652 -3.344 453 HB3 ALA 61 2HB ALA 61 -3.306 0.981 -4.811 454 H LYS 62 H LYS 62 -3.344 -1.851 -4.831 455 HA LYS 62 HA LYS 62 -0.785 -2.928 -3.710 456 HB2 LYS 62 2HB LYS 62 -2.363 -4.234 -5.932 457 HB3 LYS 62 3HB LYS 62 -1.205 -4.935 -4.829 458 HG2 LYS 62 2HG LYS 62 -4.132 -4.381 -4.436 459 HG3 LYS 62 3HG LYS 62 -3.258 -5.881 -4.285 460 HD2 LYS 62 2HD LYS 62 -3.557 -3.645 -2.305 461 HD3 LYS 62 3HD LYS 62 -3.895 -5.351 -2.101 462 HE2 LYS 62 2HE LYS 62 -1.147 -4.047 -2.256 463 HE3 LYS 62 3HE LYS 62 -1.954 -4.582 -0.799 464 HZ1 LYS 62 3HZ LYS 62 -1.038 -6.366 -2.993 465 HZ2 LYS 62 1HZ LYS 62 -1.787 -6.881 -1.635 466 HZ3 LYS 62 2HZ LYS 62 -0.307 -6.157 -1.544 467 H LEU 63 H LEU 63 1.087 -2.722 -4.717 468 HA LEU 63 HA LEU 63 1.123 -1.914 -7.598 469 HB2 LEU 63 2HB LEU 63 1.402 -0.024 -6.045 470 HB3 LEU 63 3HB LEU 63 2.822 -0.775 -5.344 471 HG LEU 63 HG LEU 63 4.163 -0.307 -7.242 472 HD11 LEU 63 1HD1 LEU 63 1.623 0.319 -8.799 473 HD12 LEU 63 2HD1 LEU 63 2.726 -1.046 -9.093 474 HD13 LEU 63 3HD1 LEU 63 3.264 0.607 -9.379 475 HD21 LEU 63 3HD2 LEU 63 2.099 1.949 -6.961 476 HD22 LEU 63 1HD2 LEU 63 3.754 2.142 -7.513 477 HD23 LEU 63 2HD2 LEU 63 3.444 1.658 -5.844 478 H ASP 64 H ASP 64 1.966 -3.561 -8.692 479 HA ASP 64 HA ASP 64 3.526 -5.580 -7.279 480 HB2 ASP 64 2HB ASP 64 1.629 -6.201 -8.634 481 HB3 ASP 64 3HB ASP 64 2.400 -5.552 -10.074 482 H VAL 65 H VAL 65 5.646 -5.480 -7.082 483 HA VAL 65 HA VAL 65 7.246 -3.665 -8.677 484 HB VAL 65 HB VAL 65 9.101 -4.256 -7.311 485 HG11 VAL 65 1HG1 VAL 65 8.299 -3.655 -5.143 486 HG12 VAL 65 2HG1 VAL 65 7.328 -2.800 -6.353 487 HG13 VAL 65 3HG1 VAL 65 6.653 -4.214 -5.520 488 HG21 VAL 65 3HG2 VAL 65 8.900 -6.705 -7.149 489 HG22 VAL 65 1HG2 VAL 65 9.078 -5.955 -5.562 490 HG23 VAL 65 2HG2 VAL 65 7.486 -6.520 -6.093 491 H ASP 66 H ASP 66 6.445 -6.971 -9.152 492 HA ASP 66 HA ASP 66 8.900 -7.681 -10.599 493 HB2 ASP 66 2HB ASP 66 7.551 -9.245 -9.153 494 HB3 ASP 66 3HB ASP 66 6.289 -9.220 -10.382 495 H THR 67 H THR 67 5.606 -6.580 -11.371 496 HA THR 67 HA THR 67 6.237 -6.726 -14.300 497 HB THR 67 HB THR 67 4.149 -7.786 -13.270 498 HG1 THR 67 HG1 THR 67 3.022 -7.305 -15.136 499 HG21 THR 67 3HG2 THR 67 3.001 -4.981 -13.567 500 HG22 THR 67 1HG2 THR 67 3.468 -5.671 -12.001 501 HG23 THR 67 2HG2 THR 67 2.202 -6.451 -12.965 502 H ASN 68 H ASN 68 5.753 -4.412 -11.729 503 HA ASN 68 HA ASN 68 6.118 -2.160 -13.655 504 HB2 ASN 68 2HB ASN 68 3.770 -2.505 -12.742 505 HB3 ASN 68 3HB ASN 68 4.400 -2.113 -11.145 506 HD21 ASN 68 1HD2 ASN 68 5.337 0.094 -10.843 507 HD22 ASN 68 2HD2 ASN 68 4.722 1.366 -11.882 508 HA PRO 69 HA PRO 69 9.470 -2.300 -10.388 509 HB2 PRO 69 2HB PRO 69 11.686 -2.218 -11.984 510 HB3 PRO 69 3HB PRO 69 10.781 -3.727 -11.655 511 HG2 PRO 69 2HG PRO 69 10.495 -1.880 -14.054 512 HG3 PRO 69 3HG PRO 69 10.743 -3.658 -14.053 513 HD2 PRO 69 2HD PRO 69 8.264 -2.589 -14.286 514 HD3 PRO 69 3HD PRO 69 8.541 -4.060 -13.302 515 H GLU 70 H GLU 70 8.662 -0.052 -12.934 516 HA GLU 70 HA GLU 70 10.566 2.002 -12.434 517 HB2 GLU 70 2HB GLU 70 7.705 2.144 -13.470 518 HB3 GLU 70 3HB GLU 70 8.853 3.482 -13.526 519 HG2 GLU 70 2HG GLU 70 9.245 0.811 -14.921 520 HG3 GLU 70 3HG GLU 70 8.658 2.283 -15.682 521 H THR 71 H THR 71 7.480 1.314 -10.784 522 HA THR 71 HA THR 71 7.629 3.656 -9.025 523 HB THR 71 HB THR 71 5.878 2.525 -7.778 524 HG1 THR 71 HG1 THR 71 6.221 0.371 -8.365 525 HG21 THR 71 3HG2 THR 71 5.527 3.016 -10.758 526 HG22 THR 71 1HG2 THR 71 5.285 4.168 -9.434 527 HG23 THR 71 2HG2 THR 71 4.171 2.806 -9.635 528 H ALA 72 H ALA 72 8.675 0.259 -8.899 529 HA ALA 72 HA ALA 72 9.244 0.163 -6.096 530 HB1 ALA 72 3HB ALA 72 8.955 -1.791 -7.671 531 HB2 ALA 72 1HB ALA 72 10.564 -1.440 -8.330 532 HB3 ALA 72 2HB ALA 72 10.387 -1.895 -6.627 533 H ARG 73 H ARG 73 11.285 1.062 -8.917 534 HA ARG 73 HA ARG 73 13.544 1.804 -7.202 535 HB2 ARG 73 2HB ARG 73 14.673 2.506 -9.151 536 HB3 ARG 73 3HB ARG 73 13.862 0.982 -9.501 537 HG2 ARG 73 2HG ARG 73 12.065 2.243 -10.694 538 HG3 ARG 73 3HG ARG 73 12.926 3.758 -10.369 539 HD2 ARG 73 2HD ARG 73 14.923 2.789 -11.596 540 HD3 ARG 73 3HD ARG 73 13.934 1.385 -11.995 541 HE ARG 73 HE ARG 73 12.783 2.597 -13.602 542 HH11 ARG 73 1HH2 ARG 73 14.787 4.882 -11.826 543 HH12 ARG 73 2HH2 ARG 73 14.453 6.169 -12.951 544 HH21 ARG 73 1HH1 ARG 73 12.319 4.299 -14.911 545 HH22 ARG 73 2HH1 ARG 73 13.119 5.838 -14.669 546 H ASN 74 H ASN 74 10.713 3.559 -8.338 547 HA ASN 74 HA ASN 74 11.671 6.200 -7.796 548 HB2 ASN 74 2HB ASN 74 9.516 5.516 -9.046 549 HB3 ASN 74 3HB ASN 74 8.793 5.239 -7.474 550 HD21 ASN 74 1HD2 ASN 74 8.171 7.070 -6.186 551 HD22 ASN 74 2HD2 ASN 74 8.348 8.699 -6.810 552 H PHE 75 H PHE 75 9.953 3.855 -5.716 553 HA PHE 75 HA PHE 75 10.403 5.550 -3.324 554 HB2 PHE 75 2HB PHE 75 8.567 3.211 -3.859 555 HB3 PHE 75 3HB PHE 75 8.761 3.957 -2.276 556 HD1 PHE 75 HD1 PHE 75 8.156 6.342 -1.880 557 HD2 PHE 75 HD2 PHE 75 7.253 4.363 -5.602 558 HE1 PHE 75 HE1 PHE 75 6.591 8.175 -2.476 559 HE2 PHE 75 HE2 PHE 75 5.664 6.183 -6.183 560 HZ PHE 75 HZ PHE 75 5.363 8.109 -4.636 561 H GLN 76 H GLN 76 12.380 3.573 -4.759 562 HA GLN 76 HA GLN 76 14.089 2.216 -4.207 563 HB2 GLN 76 2HB GLN 76 14.608 4.470 -3.222 564 HB3 GLN 76 3HB GLN 76 14.158 3.829 -1.638 565 HG2 GLN 76 2HG GLN 76 15.954 2.097 -1.863 566 HG3 GLN 76 3HG GLN 76 16.351 2.725 -3.462 567 HE21 GLN 76 1HE2 GLN 76 18.515 2.691 -2.039 568 HE22 GLN 76 2HE2 GLN 76 18.874 4.243 -1.295 569 H VAL 77 H VAL 77 12.182 0.589 -4.057 570 HA VAL 77 HA VAL 77 11.848 -0.785 -1.494 571 HB VAL 77 HB VAL 77 11.275 -1.758 -4.320 572 HG11 VAL 77 1HG1 VAL 77 9.759 -3.371 -3.178 573 HG12 VAL 77 2HG1 VAL 77 11.443 -3.641 -2.730 574 HG13 VAL 77 3HG1 VAL 77 10.351 -2.809 -1.603 575 HG21 VAL 77 3HG2 VAL 77 9.411 -0.529 -2.237 576 HG22 VAL 77 1HG2 VAL 77 9.922 0.247 -3.746 577 HG23 VAL 77 2HG2 VAL 77 8.928 -1.207 -3.809 578 H VAL 78 H VAL 78 13.212 -2.004 -0.543 579 HA VAL 78 HA VAL 78 15.440 -3.366 -1.993 580 HB VAL 78 HB VAL 78 16.982 -2.612 -0.199 581 HG11 VAL 78 1HG1 VAL 78 16.979 -1.573 -2.434 582 HG12 VAL 78 2HG1 VAL 78 15.821 -0.353 -1.864 583 HG13 VAL 78 3HG1 VAL 78 17.451 -0.431 -1.165 584 HG21 VAL 78 3HG2 VAL 78 16.518 -0.606 1.105 585 HG22 VAL 78 1HG2 VAL 78 14.864 -0.532 0.485 586 HG23 VAL 78 2HG2 VAL 78 15.373 -1.875 1.538 587 H SER 79 H SER 79 13.395 -3.203 0.874 588 HA SER 79 HA SER 79 13.701 -6.138 1.147 589 HB2 SER 79 2HB SER 79 13.063 -5.926 3.524 590 HB3 SER 79 3HB SER 79 14.635 -5.195 3.161 591 HG SER 79 HG SER 79 13.408 -3.817 4.471 592 H ILE 80 H ILE 80 11.694 -7.230 1.613 593 HA ILE 80 HA ILE 80 9.349 -5.738 0.588 594 HB ILE 80 HB ILE 80 10.640 -6.755 -1.173 595 HG12 ILE 80 2HG1 ILE 80 7.810 -7.737 -0.914 596 HG13 ILE 80 3HG1 ILE 80 8.341 -6.157 -1.492 597 HG21 ILE 80 1HG2 ILE 80 10.715 -9.123 -1.598 598 HG22 ILE 80 2HG2 ILE 80 11.324 -8.866 0.033 599 HG23 ILE 80 3HG2 ILE 80 9.671 -9.470 -0.205 600 HD11 ILE 80 3HD1 ILE 80 7.766 -7.476 -3.410 601 HD12 ILE 80 1HD1 ILE 80 9.530 -7.309 -3.391 602 HD13 ILE 80 2HD1 ILE 80 8.765 -8.833 -2.874 603 HA PRO 81 HA PRO 81 7.034 -5.910 0.373 604 HB2 PRO 81 2HB PRO 81 5.096 -5.043 2.081 605 HB3 PRO 81 3HB PRO 81 4.978 -6.582 1.177 606 HG2 PRO 81 2HG PRO 81 6.026 -6.158 3.993 607 HG3 PRO 81 3HG PRO 81 4.746 -7.316 3.462 608 HD2 PRO 81 2HD PRO 81 7.279 -8.130 3.795 609 HD3 PRO 81 3HD PRO 81 6.353 -8.674 2.362 610 H THR 82 H THR 82 7.205 -3.753 0.190 611 HA THR 82 HA THR 82 7.958 -2.072 2.555 612 HB THR 82 HB THR 82 8.323 -1.498 -0.400 613 HG1 THR 82 HG1 THR 82 10.031 -2.511 0.855 614 HG21 THR 82 3HG2 THR 82 9.081 0.762 0.288 615 HG22 THR 82 1HG2 THR 82 8.525 0.428 1.955 616 HG23 THR 82 2HG2 THR 82 7.371 0.554 0.624 617 H LEU 83 H LEU 83 6.437 -0.706 3.252 618 HA LEU 83 HA LEU 83 3.907 -0.333 1.705 619 HB2 LEU 83 2HB LEU 83 4.469 -0.460 4.674 620 HB3 LEU 83 3HB LEU 83 3.006 0.278 4.038 621 HG LEU 83 HG LEU 83 3.664 -2.551 3.178 622 HD11 LEU 83 1HD1 LEU 83 2.414 -3.389 5.159 623 HD12 LEU 83 2HD1 LEU 83 2.417 -1.746 5.842 624 HD13 LEU 83 3HD1 LEU 83 3.945 -2.623 5.610 625 HD21 LEU 83 3HD2 LEU 83 1.241 -2.738 3.098 626 HD22 LEU 83 1HD2 LEU 83 1.735 -1.284 2.207 627 HD23 LEU 83 2HD2 LEU 83 1.048 -1.136 3.836 628 H ILE 84 H ILE 84 3.324 1.750 1.300 629 HA ILE 84 HA ILE 84 4.830 3.958 2.600 630 HB ILE 84 HB ILE 84 5.906 3.654 0.448 631 HG12 ILE 84 2HG1 ILE 84 5.460 5.880 -0.630 632 HG13 ILE 84 3HG1 ILE 84 4.125 6.129 0.491 633 HG21 ILE 84 1HG2 ILE 84 4.163 2.516 -0.820 634 HG22 ILE 84 2HG2 ILE 84 3.161 3.970 -0.777 635 HG23 ILE 84 3HG2 ILE 84 4.676 3.972 -1.690 636 HD11 ILE 84 3HD1 ILE 84 5.731 6.031 2.390 637 HD12 ILE 84 1HD1 ILE 84 7.056 5.720 1.248 638 HD13 ILE 84 2HD1 ILE 84 6.192 7.271 1.216 639 H LEU 85 H LEU 85 3.575 5.507 3.371 640 HA LEU 85 HA LEU 85 0.643 5.311 2.833 641 HB2 LEU 85 2HB LEU 85 1.353 4.419 4.979 642 HB3 LEU 85 3HB LEU 85 2.184 5.916 5.364 643 HG LEU 85 HG LEU 85 0.110 7.120 5.593 644 HD11 LEU 85 1HD1 LEU 85 -1.324 6.184 3.896 645 HD12 LEU 85 2HD1 LEU 85 -2.100 5.963 5.453 646 HD13 LEU 85 3HD1 LEU 85 -1.299 4.582 4.671 647 HD21 LEU 85 3HD2 LEU 85 0.896 5.746 7.503 648 HD22 LEU 85 1HD2 LEU 85 -0.056 4.374 6.920 649 HD23 LEU 85 2HD2 LEU 85 -0.866 5.853 7.480 650 H PHE 86 H PHE 86 -0.286 6.950 2.026 651 HA PHE 86 HA PHE 86 0.957 9.653 1.979 652 HB2 PHE 86 2HB PHE 86 -1.131 8.429 0.131 653 HB3 PHE 86 3HB PHE 86 -0.419 10.024 -0.029 654 HD1 PHE 86 HD1 PHE 86 0.202 6.379 -0.361 655 HD2 PHE 86 HD2 PHE 86 1.743 10.333 -1.090 656 HE1 PHE 86 HE1 PHE 86 2.001 5.432 -1.774 657 HE2 PHE 86 HE2 PHE 86 3.602 9.368 -2.420 658 HZ PHE 86 HZ PHE 86 3.759 6.898 -2.717 659 H LYS 87 H LYS 87 -0.451 11.464 2.244 660 HA LYS 87 HA LYS 87 -3.302 10.965 2.767 661 HB2 LYS 87 2HB LYS 87 -2.281 11.106 5.025 662 HB3 LYS 87 3HB LYS 87 -1.631 12.705 4.634 663 HG2 LYS 87 2HG LYS 87 -3.901 13.611 4.419 664 HG3 LYS 87 3HG LYS 87 -4.598 11.992 4.577 665 HD2 LYS 87 2HD LYS 87 -4.866 13.289 6.625 666 HD3 LYS 87 3HD LYS 87 -3.906 11.833 6.885 667 HE2 LYS 87 2HE LYS 87 -1.840 13.113 6.935 668 HE3 LYS 87 3HE LYS 87 -2.699 14.603 6.495 669 HZ1 LYS 87 3HZ LYS 87 -3.885 14.467 8.617 670 HZ2 LYS 87 1HZ LYS 87 -2.281 14.418 8.915 671 HZ3 LYS 87 2HZ LYS 87 -3.184 13.050 8.989 672 H ASP 88 H ASP 88 -4.530 12.352 1.642 673 HA ASP 88 HA ASP 88 -5.073 13.893 0.070 674 HB2 ASP 88 2HB ASP 88 -4.809 15.312 2.103 675 HB3 ASP 88 3HB ASP 88 -3.186 15.736 1.571 676 H GLY 89 H GLY 89 -3.221 12.067 -0.834 677 HA2 GLY 89 2HA GLY 89 -1.906 11.563 -2.564 678 HA3 GLY 89 3HA GLY 89 -2.178 13.168 -3.234 679 H GLN 90 H GLN 90 -0.711 13.034 -0.059 680 HA GLN 90 HA GLN 90 1.980 13.489 -1.239 681 HB2 GLN 90 2HB GLN 90 0.563 14.926 1.026 682 HB3 GLN 90 3HB GLN 90 2.286 15.110 0.700 683 HG2 GLN 90 2HG GLN 90 1.948 16.262 -1.310 684 HG3 GLN 90 3HG GLN 90 0.336 15.608 -1.565 685 HE21 GLN 90 1HE2 GLN 90 -1.493 16.516 -0.473 686 HE22 GLN 90 2HE2 GLN 90 -1.364 18.080 0.313 687 HA PRO 91 HA PRO 91 3.029 10.078 1.403 688 HB2 PRO 91 2HB PRO 91 5.764 10.147 1.396 689 HB3 PRO 91 3HB PRO 91 4.783 9.655 -0.015 690 HG2 PRO 91 2HG PRO 91 5.998 12.378 0.554 691 HG3 PRO 91 3HG PRO 91 6.058 11.435 -0.969 692 HD2 PRO 91 2HD PRO 91 4.245 13.432 -0.580 693 HD3 PRO 91 3HD PRO 91 3.812 11.949 -1.483 694 H VAL 92 H VAL 92 3.239 9.699 3.542 695 HA VAL 92 HA VAL 92 4.300 11.878 5.311 696 HB VAL 92 HB VAL 92 2.550 11.209 6.969 697 HG11 VAL 92 1HG1 VAL 92 1.544 12.399 4.349 698 HG12 VAL 92 2HG1 VAL 92 0.820 12.605 5.958 699 HG13 VAL 92 3HG1 VAL 92 2.422 13.279 5.618 700 HG21 VAL 92 3HG2 VAL 92 1.148 9.963 4.569 701 HG22 VAL 92 1HG2 VAL 92 1.833 9.045 5.936 702 HG23 VAL 92 2HG2 VAL 92 0.505 10.187 6.191 703 H LYS 93 H LYS 93 3.972 8.310 5.018 704 HA LYS 93 HA LYS 93 6.533 8.143 6.371 705 HB2 LYS 93 2HB LYS 93 6.033 6.827 8.242 706 HB3 LYS 93 3HB LYS 93 4.912 8.180 8.309 707 HG2 LYS 93 2HG LYS 93 3.169 6.631 7.254 708 HG3 LYS 93 3HG LYS 93 4.301 5.302 7.526 709 HD2 LYS 93 2HD LYS 93 2.857 7.028 9.548 710 HD3 LYS 93 3HD LYS 93 2.748 5.289 9.349 711 HE2 LYS 93 2HE LYS 93 5.197 6.807 10.370 712 HE3 LYS 93 3HE LYS 93 3.985 6.040 11.389 713 HZ1 LYS 93 3HZ LYS 93 5.916 4.613 11.077 714 HZ2 LYS 93 1HZ LYS 93 5.686 4.553 9.460 715 HZ3 LYS 93 2HZ LYS 93 4.578 3.896 10.494 716 H ARG 94 H ARG 94 7.654 6.269 6.096 717 HA ARG 94 HA ARG 94 6.555 4.175 4.254 718 HB2 ARG 94 2HB ARG 94 8.584 5.343 3.433 719 HB3 ARG 94 3HB ARG 94 9.450 4.878 4.903 720 HG2 ARG 94 2HG ARG 94 9.156 2.471 4.304 721 HG3 ARG 94 3HG ARG 94 8.295 2.957 2.829 722 HD2 ARG 94 2HD ARG 94 10.324 4.072 2.013 723 HD3 ARG 94 3HD ARG 94 11.176 3.672 3.521 724 HE ARG 94 HE ARG 94 10.250 1.228 2.558 725 HH11 ARG 94 1HH1 ARG 94 12.462 3.639 1.280 726 HH12 ARG 94 2HH1 ARG 94 13.165 2.474 0.177 727 HH21 ARG 94 1HH2 ARG 94 11.218 -0.149 1.069 728 HH22 ARG 94 2HH2 ARG 94 12.572 0.499 0.137 729 H ILE 95 H ILE 95 6.650 2.047 4.829 730 HA ILE 95 HA ILE 95 7.809 1.285 7.433 731 HB ILE 95 HB ILE 95 5.258 -0.147 6.754 732 HG12 ILE 95 2HG1 ILE 95 4.072 1.513 8.371 733 HG13 ILE 95 3HG1 ILE 95 5.266 2.691 7.883 734 HG21 ILE 95 1HG2 ILE 95 5.173 -0.319 9.164 735 HG22 ILE 95 2HG2 ILE 95 6.771 -0.801 8.591 736 HG23 ILE 95 3HG2 ILE 95 6.540 0.795 9.345 737 HD11 ILE 95 3HD1 ILE 95 3.184 2.970 6.641 738 HD12 ILE 95 1HD1 ILE 95 4.400 2.398 5.491 739 HD13 ILE 95 2HD1 ILE 95 3.195 1.271 6.151 740 H VAL 96 H VAL 96 8.678 -0.872 7.463 741 HA VAL 96 HA VAL 96 8.602 -2.366 4.887 742 HB VAL 96 HB VAL 96 10.964 -2.974 5.268 743 HG11 VAL 96 1HG1 VAL 96 10.504 -0.002 4.800 744 HG12 VAL 96 2HG1 VAL 96 11.892 -0.965 4.248 745 HG13 VAL 96 3HG1 VAL 96 10.281 -1.290 3.593 746 HG21 VAL 96 3HG2 VAL 96 11.069 -0.610 7.185 747 HG22 VAL 96 1HG2 VAL 96 11.230 -2.321 7.646 748 HG23 VAL 96 2HG2 VAL 96 12.440 -1.568 6.599 749 H GLY 97 H GLY 97 8.689 -4.560 4.979 750 HA2 GLY 97 2HA GLY 97 8.556 -6.685 5.913 751 HA3 GLY 97 3HA GLY 97 8.818 -6.027 7.527 752 H ALA 98 H ALA 98 7.058 -7.885 7.481 753 HA ALA 98 HA ALA 98 4.389 -7.211 6.689 754 HB1 ALA 98 3HB ALA 98 3.837 -9.343 7.874 755 HB2 ALA 98 1HB ALA 98 5.187 -9.509 6.735 756 HB3 ALA 98 2HB ALA 98 5.495 -9.410 8.487 757 H LYS 99 H LYS 99 2.544 -6.801 7.900 758 HA LYS 99 HA LYS 99 2.683 -6.404 10.827 759 HB2 LYS 99 2HB LYS 99 1.808 -4.288 8.821 760 HB3 LYS 99 3HB LYS 99 0.996 -4.415 10.369 761 HG2 LYS 99 2HG LYS 99 2.549 -2.970 11.062 762 HG3 LYS 99 3HG LYS 99 3.505 -4.425 11.313 763 HD2 LYS 99 2HD LYS 99 4.311 -3.900 8.795 764 HD3 LYS 99 3HD LYS 99 3.712 -2.302 9.165 765 HE2 LYS 99 2HE LYS 99 5.822 -3.888 10.705 766 HE3 LYS 99 3HE LYS 99 6.124 -2.509 9.656 767 HZ1 LYS 99 3HZ LYS 99 4.678 -2.440 12.254 768 HZ2 LYS 99 1HZ LYS 99 4.784 -1.134 11.283 769 HZ3 LYS 99 2HZ LYS 99 6.132 -1.783 11.941 770 H GLY 100 H GLY 100 0.813 -6.864 11.928 771 HA2 GLY 100 2HA GLY 100 -1.366 -8.310 10.528 772 HA3 GLY 100 3HA GLY 100 -1.102 -8.209 12.271 773 H LYS 101 H LYS 101 -3.632 -7.709 11.482 774 HA LYS 101 HA LYS 101 -4.242 -5.220 10.406 775 HB2 LYS 101 2HB LYS 101 -5.652 -7.361 10.793 776 HB3 LYS 101 3HB LYS 101 -6.013 -6.714 12.398 777 HG2 LYS 101 2HG LYS 101 -7.140 -4.795 11.448 778 HG3 LYS 101 3HG LYS 101 -6.426 -5.107 9.857 779 HD2 LYS 101 2HD LYS 101 -8.722 -5.740 9.768 780 HD3 LYS 101 3HD LYS 101 -7.698 -7.189 9.641 781 HE2 LYS 101 2HE LYS 101 -8.168 -7.827 11.917 782 HE3 LYS 101 3HE LYS 101 -8.921 -6.265 12.270 783 HZ1 LYS 101 3HZ LYS 101 -10.578 -8.028 11.824 784 HZ2 LYS 101 1HZ LYS 101 -9.983 -8.227 10.301 785 HZ3 LYS 101 2HZ LYS 101 -10.701 -6.816 10.722 786 H ALA 102 H ALA 102 -3.648 -5.901 13.763 787 HA ALA 102 HA ALA 102 -4.639 -3.346 14.766 788 HB1 ALA 102 3HB ALA 102 -4.465 -5.342 16.200 789 HB2 ALA 102 1HB ALA 102 -2.696 -5.351 16.003 790 HB3 ALA 102 2HB ALA 102 -3.493 -4.007 16.848 791 H ALA 103 H ALA 103 -1.403 -4.565 13.831 792 HA ALA 103 HA ALA 103 -0.021 -2.112 14.469 793 HB1 ALA 103 3HB ALA 103 0.792 -4.481 12.736 794 HB2 ALA 103 1HB ALA 103 1.870 -3.206 13.356 795 HB3 ALA 103 2HB ALA 103 1.068 -4.312 14.482 796 H LEU 104 H LEU 104 -1.314 -3.459 11.373 797 HA LEU 104 HA LEU 104 -0.459 -1.276 9.704 798 HB2 LEU 104 2HB LEU 104 -1.421 -3.698 9.177 799 HB3 LEU 104 3HB LEU 104 -2.975 -2.873 9.204 800 HG LEU 104 HG LEU 104 -2.011 -1.256 7.453 801 HD11 LEU 104 1HD1 LEU 104 -0.031 -2.161 6.165 802 HD12 LEU 104 2HD1 LEU 104 0.203 -3.367 7.426 803 HD13 LEU 104 3HD1 LEU 104 0.411 -1.638 7.789 804 HD21 LEU 104 3HD2 LEU 104 -2.233 -2.869 5.598 805 HD22 LEU 104 1HD2 LEU 104 -3.473 -3.157 6.820 806 HD23 LEU 104 2HD2 LEU 104 -2.050 -4.219 6.741 807 H LEU 105 H LEU 105 -3.524 -1.768 11.558 808 HA LEU 105 HA LEU 105 -4.637 0.766 10.838 809 HB2 LEU 105 2HB LEU 105 -5.907 -1.149 11.792 810 HB3 LEU 105 3HB LEU 105 -5.099 -0.877 13.334 811 HG LEU 105 HG LEU 105 -6.179 1.322 13.553 812 HD11 LEU 105 1HD1 LEU 105 -6.438 2.007 11.210 813 HD12 LEU 105 2HD1 LEU 105 -8.016 1.964 11.991 814 HD13 LEU 105 3HD1 LEU 105 -7.538 0.640 10.904 815 HD21 LEU 105 3HD2 LEU 105 -8.152 -0.885 12.846 816 HD22 LEU 105 1HD2 LEU 105 -8.465 0.525 13.887 817 HD23 LEU 105 2HD2 LEU 105 -7.305 -0.708 14.397 818 H ARG 106 H ARG 106 -2.300 -0.118 13.432 819 HA ARG 106 HA ARG 106 -2.278 2.506 14.634 820 HB2 ARG 106 2HB ARG 106 -1.428 0.420 15.701 821 HB3 ARG 106 3HB ARG 106 -0.035 0.453 14.610 822 HG2 ARG 106 2HG ARG 106 0.650 2.646 15.529 823 HG3 ARG 106 3HG ARG 106 -0.782 2.658 16.581 824 HD2 ARG 106 2HD ARG 106 0.023 0.596 17.691 825 HD3 ARG 106 3HD ARG 106 1.454 0.586 16.638 826 HE ARG 106 HE ARG 106 1.345 3.113 17.919 827 HH11 ARG 106 1HH2 ARG 106 1.906 -0.209 18.883 828 HH12 ARG 106 2HH2 ARG 106 2.883 0.257 20.250 829 HH21 ARG 106 1HH1 ARG 106 2.600 3.637 19.678 830 HH22 ARG 106 2HH1 ARG 106 3.261 2.379 20.681 831 H GLU 107 H GLU 107 -0.256 1.129 11.988 832 HA GLU 107 HA GLU 107 1.279 3.491 11.452 833 HB2 GLU 107 2HB GLU 107 0.146 1.622 9.331 834 HB3 GLU 107 3HB GLU 107 1.501 2.708 9.157 835 HG2 GLU 107 2HG GLU 107 1.420 0.213 10.805 836 HG3 GLU 107 3HG GLU 107 2.225 0.419 9.280 837 H LEU 108 H LEU 108 -1.989 2.546 10.303 838 HA LEU 108 HA LEU 108 -2.486 5.011 8.934 839 HB2 LEU 108 2HB LEU 108 -3.968 2.559 9.691 840 HB3 LEU 108 3HB LEU 108 -4.991 3.955 9.750 841 HG LEU 108 HG LEU 108 -5.139 2.844 7.608 842 HD11 LEU 108 1HD1 LEU 108 -3.679 5.503 7.254 843 HD12 LEU 108 2HD1 LEU 108 -5.409 5.293 7.578 844 HD13 LEU 108 3HD1 LEU 108 -4.703 4.699 6.062 845 HD21 LEU 108 3HD2 LEU 108 -2.890 1.840 7.534 846 HD22 LEU 108 1HD2 LEU 108 -2.190 3.434 7.189 847 HD23 LEU 108 2HD2 LEU 108 -3.307 2.684 6.033 848 H SER 109 H SER 109 -3.128 4.121 12.313 849 HA SER 109 HA SER 109 -4.628 6.500 12.926 850 HB2 SER 109 2HB SER 109 -3.101 4.629 14.783 851 HB3 SER 109 3HB SER 109 -4.268 5.862 15.286 852 HG SER 109 HG SER 109 -4.773 3.598 13.635 853 H ASP 110 H ASP 110 -1.182 5.892 12.697 854 HA ASP 110 HA ASP 110 -0.383 8.330 14.027 855 HB2 ASP 110 2HB ASP 110 1.067 6.315 13.473 856 HB3 ASP 110 3HB ASP 110 1.083 6.879 11.800 857 H VAL 111 H VAL 111 -2.101 7.899 11.131 858 HA VAL 111 HA VAL 111 -1.193 10.483 9.914 859 HB VAL 111 HB VAL 111 -1.908 7.801 8.689 860 HG11 VAL 111 1HG1 VAL 111 -1.511 10.461 7.269 861 HG12 VAL 111 2HG1 VAL 111 -1.490 8.867 6.470 862 HG13 VAL 111 3HG1 VAL 111 -2.964 9.437 7.240 863 HG21 VAL 111 3HG2 VAL 111 0.391 8.108 7.695 864 HG22 VAL 111 1HG2 VAL 111 0.581 9.575 8.667 865 HG23 VAL 111 2HG2 VAL 111 0.403 7.989 9.451 866 H VAL 112 H VAL 112 -4.060 8.368 10.311 867 HA VAL 112 HA VAL 112 -5.992 9.868 9.011 868 HB VAL 112 HB VAL 112 -6.125 8.088 11.449 869 HG11 VAL 112 1HG1 VAL 112 -8.093 9.508 11.717 870 HG12 VAL 112 2HG1 VAL 112 -8.514 9.299 9.999 871 HG13 VAL 112 3HG1 VAL 112 -8.582 7.924 11.121 872 HG21 VAL 112 3HG2 VAL 112 -7.231 7.672 8.644 873 HG22 VAL 112 1HG2 VAL 112 -5.606 7.157 9.129 874 HG23 VAL 112 2HG2 VAL 112 -7.025 6.469 9.929 875 HA PRO 113 HA PRO 113 -6.856 12.587 12.931 876 HB2 PRO 113 2HB PRO 113 -4.006 12.961 13.856 877 HB3 PRO 113 3HB PRO 113 -5.522 13.022 14.812 878 HG2 PRO 113 2HG PRO 113 -4.001 10.796 14.877 879 HG3 PRO 113 3HG PRO 113 -5.778 10.633 14.677 880 HD2 PRO 113 2HD PRO 113 -3.631 10.573 12.537 881 HD3 PRO 113 3HD PRO 113 -4.996 9.445 12.792 882 H ASN 114 H ASN 114 -6.782 14.913 13.040 883 HA ASN 114 HA ASN 114 -4.936 16.405 11.337 884 HB2 ASN 114 2HB ASN 114 -6.816 15.615 9.825 885 HB3 ASN 114 3HB ASN 114 -7.959 16.468 10.861 886 HD21 ASN 114 2HD2 ASN 114 -8.621 18.286 9.694 887 HD22 ASN 114 1HD2 ASN 114 -7.487 19.313 8.814 888 H LEU 115 H LEU 115 -5.212 18.701 11.616 889 HA LEU 115 HA LEU 115 -5.710 19.594 14.324 890 HB2 LEU 115 2HB LEU 115 -5.305 21.136 11.725 891 HB3 LEU 115 3HB LEU 115 -5.280 21.842 13.333 892 HG LEU 115 HG LEU 115 -3.284 19.792 12.277 893 HD11 LEU 115 1HD1 LEU 115 -3.062 22.032 11.265 894 HD12 LEU 115 2HD1 LEU 115 -1.698 21.662 12.332 895 HD13 LEU 115 3HD1 LEU 115 -2.982 22.761 12.884 896 HD21 LEU 115 3HD2 LEU 115 -1.985 20.335 14.330 897 HD22 LEU 115 1HD2 LEU 115 -3.510 19.529 14.704 898 HD23 LEU 115 2HD2 LEU 115 -3.360 21.288 14.934 899 H ASN 116 H ASN 116 -7.771 19.324 11.551 900 HA ASN 116 HA ASN 116 -10.090 20.409 13.071 901 HB2 ASN 116 2HB ASN 116 -9.404 22.167 11.504 902 HB3 ASN 116 3HB ASN 116 -9.360 21.019 10.169 903 HD21 ASN 116 1HD2 ASN 116 -11.508 19.853 9.765 904 HD22 ASN 116 2HD2 ASN 116 -12.938 20.895 9.807 Start of MODEL 16 1 H1 MET 1 1H MET 1 -17.904 -5.835 9.473 2 HA MET 1 HA MET 1 -18.975 -3.870 8.745 3 HB2 MET 1 2HB MET 1 -17.005 -4.056 6.437 4 HB3 MET 1 3HB MET 1 -18.521 -3.165 6.288 5 HG2 MET 1 2HG MET 1 -16.403 -2.612 8.393 6 HG3 MET 1 3HG MET 1 -16.665 -1.694 6.911 7 HE1 MET 1 3HE MET 1 -17.836 0.847 9.621 8 HE2 MET 1 1HE MET 1 -16.490 -0.310 9.734 9 HE3 MET 1 2HE MET 1 -16.790 0.561 8.211 10 H THR 2 H THR 2 -20.887 -3.880 7.469 11 HA THR 2 HA THR 2 -21.515 -6.363 5.947 12 HB THR 2 HB THR 2 -23.741 -6.422 7.095 13 HG1 THR 2 HG1 THR 2 -23.905 -5.389 9.089 14 HG21 THR 2 3HG2 THR 2 -21.904 -7.980 7.743 15 HG22 THR 2 1HG2 THR 2 -23.007 -7.604 9.077 16 HG23 THR 2 2HG2 THR 2 -21.406 -6.835 9.009 17 H ASP 3 H ASP 3 -23.413 -6.217 4.629 18 HA ASP 3 HA ASP 3 -24.480 -5.307 2.883 19 HB2 ASP 3 2HB ASP 3 -25.925 -4.717 4.825 20 HB3 ASP 3 3HB ASP 3 -25.217 -3.103 4.829 21 H SER 4 H SER 4 -21.774 -4.769 2.773 22 HA SER 4 HA SER 4 -21.660 -2.357 1.049 23 HB2 SER 4 2HB SER 4 -19.613 -1.586 2.113 24 HB3 SER 4 3HB SER 4 -20.932 -1.637 3.290 25 HG SER 4 HG SER 4 -18.936 -2.526 4.069 26 H GLU 5 H GLU 5 -19.570 -2.248 -0.177 27 HA GLU 5 HA GLU 5 -19.002 -4.830 -1.436 28 HB2 GLU 5 2HB GLU 5 -17.984 -2.020 -1.979 29 HB3 GLU 5 3HB GLU 5 -17.549 -3.453 -2.915 30 HG2 GLU 5 2HG GLU 5 -19.917 -3.817 -3.443 31 HG3 GLU 5 3HG GLU 5 -20.331 -2.339 -2.576 32 H LYS 6 H LYS 6 -17.929 -6.118 -0.047 33 HA LYS 6 HA LYS 6 -15.603 -5.373 1.481 34 HB2 LYS 6 2HB LYS 6 -15.423 -7.718 2.027 35 HB3 LYS 6 3HB LYS 6 -17.109 -7.216 2.116 36 HG2 LYS 6 2HG LYS 6 -17.531 -8.247 -0.120 37 HG3 LYS 6 3HG LYS 6 -15.830 -8.745 -0.203 38 HD2 LYS 6 2HD LYS 6 -16.128 -10.121 1.839 39 HD3 LYS 6 3HD LYS 6 -17.837 -9.630 1.917 40 HE2 LYS 6 2HE LYS 6 -18.219 -10.626 -0.330 41 HE3 LYS 6 3HE LYS 6 -16.521 -11.111 -0.409 42 HZ1 LYS 6 3HZ LYS 6 -17.930 -12.943 0.334 43 HZ2 LYS 6 1HZ LYS 6 -18.476 -12.085 1.609 44 HZ3 LYS 6 2HZ LYS 6 -16.906 -12.534 1.535 45 H SER 7 H SER 7 -13.523 -6.580 1.330 46 HA SER 7 HA SER 7 -11.489 -6.632 0.393 47 HB2 SER 7 2HB SER 7 -12.865 -7.884 -2.005 48 HB3 SER 7 3HB SER 7 -11.153 -8.011 -1.563 49 HG SER 7 HG SER 7 -12.380 -9.837 -0.880 50 H ALA 8 H ALA 8 -12.315 -4.184 0.361 51 HA ALA 8 HA ALA 8 -12.670 -2.993 -2.217 52 HB1 ALA 8 3HB ALA 8 -12.362 -1.720 0.521 53 HB2 ALA 8 1HB ALA 8 -13.024 -0.948 -0.934 54 HB3 ALA 8 2HB ALA 8 -13.880 -2.310 -0.192 55 H THR 9 H THR 9 -10.343 -4.009 -2.774 56 HA THR 9 HA THR 9 -8.304 -1.836 -2.495 57 HB THR 9 HB THR 9 -6.526 -3.418 -2.611 58 HG1 THR 9 HG1 THR 9 -8.512 -5.439 -2.663 59 HG21 THR 9 3HG2 THR 9 -8.512 -4.398 -0.528 60 HG22 THR 9 1HG2 THR 9 -7.415 -3.006 -0.371 61 HG23 THR 9 2HG2 THR 9 -6.752 -4.639 -0.529 62 H ILE 10 H ILE 10 -6.701 -1.666 -4.151 63 HA ILE 10 HA ILE 10 -7.542 -2.483 -6.893 64 HB ILE 10 HB ILE 10 -6.983 -0.236 -7.722 65 HG12 ILE 10 2HG1 ILE 10 -6.790 0.586 -4.786 66 HG13 ILE 10 3HG1 ILE 10 -5.452 0.486 -5.935 67 HG21 ILE 10 1HG2 ILE 10 -9.059 0.823 -7.131 68 HG22 ILE 10 2HG2 ILE 10 -9.332 -0.919 -7.157 69 HG23 ILE 10 3HG2 ILE 10 -9.160 -0.075 -5.602 70 HD11 ILE 10 3HD1 ILE 10 -6.078 2.787 -5.679 71 HD12 ILE 10 1HD1 ILE 10 -6.526 2.260 -7.316 72 HD13 ILE 10 2HD1 ILE 10 -7.772 2.442 -6.052 73 H LYS 11 H LYS 11 -5.813 -2.332 -8.485 74 HA LYS 11 HA LYS 11 -3.037 -2.326 -7.373 75 HB2 LYS 11 2HB LYS 11 -4.115 -3.774 -9.816 76 HB3 LYS 11 3HB LYS 11 -2.398 -3.446 -9.543 77 HG2 LYS 11 2HG LYS 11 -2.554 -4.631 -7.332 78 HG3 LYS 11 3HG LYS 11 -4.210 -5.116 -7.752 79 HD2 LYS 11 2HD LYS 11 -3.356 -6.294 -9.762 80 HD3 LYS 11 3HD LYS 11 -1.710 -5.737 -9.396 81 HE2 LYS 11 2HE LYS 11 -1.860 -6.923 -7.181 82 HE3 LYS 11 3HE LYS 11 -3.418 -7.602 -7.695 83 HZ1 LYS 11 3HZ LYS 11 -1.624 -9.149 -8.173 84 HZ2 LYS 11 1HZ LYS 11 -0.776 -8.026 -9.002 85 HZ3 LYS 11 2HZ LYS 11 -2.193 -8.601 -9.605 86 H VAL 12 H VAL 12 -1.558 -1.022 -8.236 87 HA VAL 12 HA VAL 12 -2.376 0.933 -10.346 88 HB VAL 12 HB VAL 12 -1.134 2.690 -9.163 89 HG11 VAL 12 1HG1 VAL 12 -3.589 2.487 -8.950 90 HG12 VAL 12 2HG1 VAL 12 -3.383 1.496 -7.489 91 HG13 VAL 12 3HG1 VAL 12 -2.845 3.182 -7.501 92 HG21 VAL 12 3HG2 VAL 12 0.332 1.259 -7.718 93 HG22 VAL 12 1HG2 VAL 12 -0.542 2.507 -6.816 94 HG23 VAL 12 2HG2 VAL 12 -1.092 0.827 -6.750 95 H THR 13 H THR 13 -0.619 1.992 -11.428 96 HA THR 13 HA THR 13 2.040 0.657 -11.439 97 HB THR 13 HB THR 13 2.114 0.687 -13.880 98 HG1 THR 13 HG1 THR 13 -0.630 1.368 -13.734 99 HG21 THR 13 3HG2 THR 13 0.691 -1.186 -14.419 100 HG22 THR 13 1HG2 THR 13 -0.329 -0.894 -12.994 101 HG23 THR 13 2HG2 THR 13 1.361 -1.409 -12.792 102 H ASP 14 H ASP 14 3.637 2.088 -12.681 103 HA ASP 14 HA ASP 14 3.680 4.766 -11.878 104 HB2 ASP 14 2HB ASP 14 5.601 3.516 -12.690 105 HB3 ASP 14 3HB ASP 14 4.907 3.413 -14.309 106 H ALA 15 H ALA 15 1.904 3.463 -14.647 107 HA ALA 15 HA ALA 15 1.399 6.057 -15.884 108 HB1 ALA 15 3HB ALA 15 1.567 3.967 -17.184 109 HB2 ALA 15 1HB ALA 15 0.148 3.315 -16.330 110 HB3 ALA 15 2HB ALA 15 -0.021 4.731 -17.389 111 H SER 16 H SER 16 -0.127 4.296 -13.272 112 HA SER 16 HA SER 16 -2.570 6.019 -13.428 113 HB2 SER 16 2HB SER 16 -3.794 4.177 -12.399 114 HB3 SER 16 3HB SER 16 -3.098 3.743 -13.965 115 HG SER 16 HG SER 16 -2.785 2.103 -12.456 116 H PHE 17 H PHE 17 0.094 5.188 -11.403 117 HA PHE 17 HA PHE 17 -0.862 5.290 -8.843 118 HB2 PHE 17 2HB PHE 17 1.523 4.930 -9.802 119 HB3 PHE 17 3HB PHE 17 1.725 6.662 -9.668 120 HD1 PHE 17 HD2 PHE 17 1.605 7.717 -7.330 121 HD2 PHE 17 HD1 PHE 17 1.677 3.455 -7.978 122 HE1 PHE 17 HE2 PHE 17 2.236 7.358 -4.950 123 HE2 PHE 17 HE1 PHE 17 2.351 3.108 -5.620 124 HZ PHE 17 HZ PHE 17 2.616 5.065 -4.099 125 H ALA 18 H ALA 18 -0.077 8.175 -10.843 126 HA ALA 18 HA ALA 18 -0.570 10.010 -8.717 127 HB1 ALA 18 3HB ALA 18 0.861 10.538 -10.640 128 HB2 ALA 18 1HB ALA 18 -0.550 10.467 -11.727 129 HB3 ALA 18 2HB ALA 18 -0.443 11.729 -10.480 130 H THR 19 H THR 19 -2.743 8.552 -11.075 131 HA THR 19 HA THR 19 -4.984 10.349 -10.498 132 HB THR 19 HB THR 19 -4.991 7.681 -11.966 133 HG1 THR 19 HG1 THR 19 -4.689 8.938 -13.818 134 HG21 THR 19 3HG2 THR 19 -7.259 8.517 -11.509 135 HG22 THR 19 1HG2 THR 19 -6.886 8.708 -13.223 136 HG23 THR 19 2HG2 THR 19 -6.821 10.119 -12.143 137 H ASP 20 H ASP 20 -3.894 7.161 -9.385 138 HA ASP 20 HA ASP 20 -6.430 6.765 -7.871 139 HB2 ASP 20 2HB ASP 20 -4.169 4.953 -8.704 140 HB3 ASP 20 3HB ASP 20 -5.338 4.473 -7.478 141 H VAL 21 H VAL 21 -2.931 7.089 -7.140 142 HA VAL 21 HA VAL 21 -3.522 6.831 -4.235 143 HB VAL 21 HB VAL 21 -0.813 7.044 -5.580 144 HG11 VAL 21 1HG1 VAL 21 -0.823 7.639 -3.172 145 HG12 VAL 21 2HG1 VAL 21 -1.591 6.078 -2.803 146 HG13 VAL 21 3HG1 VAL 21 0.040 6.138 -3.489 147 HG21 VAL 21 3HG2 VAL 21 -2.351 4.555 -4.718 148 HG22 VAL 21 1HG2 VAL 21 -1.889 5.000 -6.379 149 HG23 VAL 21 2HG2 VAL 21 -0.642 4.596 -5.207 150 H LEU 22 H LEU 22 -1.772 9.094 -6.416 151 HA LEU 22 HA LEU 22 -1.472 11.007 -4.260 152 HB2 LEU 22 2HB LEU 22 -0.936 11.515 -7.188 153 HB3 LEU 22 3HB LEU 22 -0.295 12.393 -5.814 154 HG LEU 22 HG LEU 22 0.365 9.507 -6.519 155 HD11 LEU 22 1HD1 LEU 22 1.359 11.189 -8.050 156 HD12 LEU 22 2HD1 LEU 22 2.586 10.376 -7.067 157 HD13 LEU 22 3HD1 LEU 22 2.067 12.025 -6.654 158 HD21 LEU 22 3HD2 LEU 22 1.512 11.272 -4.331 159 HD22 LEU 22 1HD2 LEU 22 2.122 9.678 -4.793 160 HD23 LEU 22 2HD2 LEU 22 0.513 9.820 -4.082 161 H SER 23 H SER 23 -4.042 10.527 -6.485 162 HA SER 23 HA SER 23 -5.064 13.183 -6.670 163 HB2 SER 23 2HB SER 23 -5.728 11.304 -8.110 164 HB3 SER 23 3HB SER 23 -6.583 10.556 -6.741 165 HG SER 23 HG SER 23 -7.967 11.809 -8.103 166 H SER 24 H SER 24 -5.566 10.648 -4.210 167 HA SER 24 HA SER 24 -6.494 10.648 -2.137 168 HB2 SER 24 2HB SER 24 -4.289 11.833 -2.266 169 HB3 SER 24 3HB SER 24 -5.149 13.347 -2.079 170 HG SER 24 HG SER 24 -5.388 11.126 -0.271 171 H ASN 25 H ASN 25 -9.206 13.450 -1.646 172 HA ASN 25 HA ASN 25 -6.532 14.086 -0.672 173 HB2 ASN 25 2HB ASN 25 -7.610 15.864 0.459 174 HB3 ASN 25 3HB ASN 25 -8.154 15.828 -1.209 175 HD21 ASN 25 1HD2 ASN 25 -9.608 17.311 0.523 176 HD22 ASN 25 2HD2 ASN 25 -11.125 16.496 0.882 177 H LYS 26 H LYS 26 -8.817 11.724 0.144 178 HA LYS 26 HA LYS 26 -8.144 11.606 3.009 179 HB2 LYS 26 2HB LYS 26 -9.554 9.695 3.159 180 HB3 LYS 26 3HB LYS 26 -10.394 10.953 2.253 181 HG2 LYS 26 2HG LYS 26 -9.993 9.771 0.147 182 HG3 LYS 26 3HG LYS 26 -8.954 8.596 0.952 183 HD2 LYS 26 2HD LYS 26 -11.088 7.615 0.473 184 HD3 LYS 26 3HD LYS 26 -10.846 7.674 2.208 185 HE2 LYS 26 2HE LYS 26 -12.381 9.886 0.797 186 HE3 LYS 26 3HE LYS 26 -13.161 8.329 1.060 187 HZ1 LYS 26 3HZ LYS 26 -12.911 8.564 3.421 188 HZ2 LYS 26 1HZ LYS 26 -13.593 9.925 2.861 189 HZ3 LYS 26 2HZ LYS 26 -12.016 9.934 3.281 190 HA PRO 27 HA PRO 27 -4.511 9.337 2.722 191 HB2 PRO 27 2HB PRO 27 -5.565 7.276 4.661 192 HB3 PRO 27 3HB PRO 27 -3.993 8.139 4.681 193 HG2 PRO 27 2HG PRO 27 -6.005 8.938 6.277 194 HG3 PRO 27 3HG PRO 27 -5.008 10.151 5.420 195 HD2 PRO 27 2HD PRO 27 -7.760 9.123 4.714 196 HD3 PRO 27 3HD PRO 27 -7.132 10.796 4.668 197 H VAL 28 H VAL 28 -3.438 7.699 1.698 198 HA VAL 28 HA VAL 28 -4.980 5.344 0.751 199 HB VAL 28 HB VAL 28 -3.094 6.838 -1.090 200 HG11 VAL 28 1HG1 VAL 28 -4.955 4.437 -1.472 201 HG12 VAL 28 2HG1 VAL 28 -4.078 5.248 -2.778 202 HG13 VAL 28 3HG1 VAL 28 -3.178 4.410 -1.514 203 HG21 VAL 28 3HG2 VAL 28 -6.142 6.735 -1.086 204 HG22 VAL 28 1HG2 VAL 28 -5.124 8.174 -0.873 205 HG23 VAL 28 2HG2 VAL 28 -5.144 7.342 -2.427 206 H LEU 29 H LEU 29 -4.041 3.542 1.278 207 HA LEU 29 HA LEU 29 -1.172 3.483 2.096 208 HB2 LEU 29 2HB LEU 29 -3.396 2.611 3.411 209 HB3 LEU 29 3HB LEU 29 -3.045 1.170 2.503 210 HG LEU 29 HG LEU 29 -0.985 2.566 4.262 211 HD11 LEU 29 1HD1 LEU 29 -1.512 0.964 5.982 212 HD12 LEU 29 2HD1 LEU 29 -2.740 0.179 4.951 213 HD13 LEU 29 3HD1 LEU 29 -2.980 1.835 5.551 214 HD21 LEU 29 3HD2 LEU 29 0.123 0.357 4.251 215 HD22 LEU 29 1HD2 LEU 29 0.067 1.077 2.651 216 HD23 LEU 29 2HD2 LEU 29 -1.066 -0.232 3.066 217 H VAL 30 H VAL 30 0.305 2.462 0.776 218 HA VAL 30 HA VAL 30 -0.740 0.688 -1.394 219 HB VAL 30 HB VAL 30 1.758 2.358 -1.643 220 HG11 VAL 30 1HG1 VAL 30 1.688 0.328 -3.058 221 HG12 VAL 30 2HG1 VAL 30 0.071 0.781 -3.648 222 HG13 VAL 30 3HG1 VAL 30 1.487 1.768 -4.047 223 HG21 VAL 30 3HG2 VAL 30 -1.018 2.946 -2.746 224 HG22 VAL 30 1HG2 VAL 30 -0.112 3.931 -1.578 225 HG23 VAL 30 2HG2 VAL 30 0.482 3.763 -3.231 226 H ASP 31 H ASP 31 -0.003 -1.341 -1.406 227 HA ASP 31 HA ASP 31 2.448 -2.016 0.155 228 HB2 ASP 31 2HB ASP 31 0.335 -3.337 0.539 229 HB3 ASP 31 3HB ASP 31 0.457 -3.916 -1.116 230 H PHE 32 H PHE 32 4.309 -2.126 -0.895 231 HA PHE 32 HA PHE 32 4.429 -2.601 -3.836 232 HB2 PHE 32 2HB PHE 32 6.436 -1.634 -1.777 233 HB3 PHE 32 3HB PHE 32 6.892 -2.138 -3.400 234 HD1 PHE 32 HD1 PHE 32 4.526 0.244 -1.638 235 HD2 PHE 32 HD2 PHE 32 6.865 -0.607 -5.158 236 HE1 PHE 32 HE1 PHE 32 3.856 2.423 -2.628 237 HE2 PHE 32 HE2 PHE 32 6.189 1.578 -6.121 238 HZ PHE 32 HZ PHE 32 4.686 3.093 -4.858 239 H TRP 33 H TRP 33 4.470 -4.656 -4.454 240 HA TRP 33 HA TRP 33 5.654 -6.762 -2.725 241 HB2 TRP 33 2HB TRP 33 3.653 -7.757 -2.198 242 HB3 TRP 33 3HB TRP 33 3.328 -6.070 -1.944 243 HD1 TRP 33 HD1 TRP 33 2.792 -5.970 -5.401 244 HE1 TRP 33 HE1 TRP 33 0.497 -6.646 -6.195 245 HE3 TRP 33 HE3 TRP 33 1.166 -8.202 -1.100 246 HZ2 TRP 33 HZ2 TRP 33 -1.841 -8.020 -5.069 247 HZ3 TRP 33 HZ3 TRP 33 -1.132 -9.100 -0.957 248 HH2 TRP 33 HH2 TRP 33 -2.651 -9.015 -2.913 249 H ALA 34 H ALA 34 5.050 -9.018 -3.589 250 HA ALA 34 HA ALA 34 4.609 -9.151 -6.494 251 HB1 ALA 34 3HB ALA 34 7.082 -9.239 -6.240 252 HB2 ALA 34 1HB ALA 34 6.912 -10.626 -5.140 253 HB3 ALA 34 2HB ALA 34 6.414 -10.767 -6.837 254 H THR 35 H THR 35 3.794 -11.263 -7.186 255 HA THR 35 HA THR 35 1.902 -12.338 -5.281 256 HB THR 35 HB THR 35 1.305 -13.862 -7.201 257 HG1 THR 35 HG1 THR 35 2.313 -13.406 -9.174 258 HG21 THR 35 3HG2 THR 35 1.501 -10.900 -7.924 259 HG22 THR 35 1HG2 THR 35 0.231 -11.634 -6.919 260 HG23 THR 35 2HG2 THR 35 0.388 -12.097 -8.621 261 H TRP 36 H TRP 36 5.021 -13.486 -6.437 262 HA TRP 36 HA TRP 36 4.744 -16.160 -5.267 263 HB2 TRP 36 2HB TRP 36 7.146 -16.330 -6.011 264 HB3 TRP 36 3HB TRP 36 5.966 -16.010 -7.263 265 HD1 TRP 36 HD1 TRP 36 6.395 -14.070 -8.824 266 HE1 TRP 36 HE1 TRP 36 8.106 -12.166 -9.022 267 HE3 TRP 36 HE3 TRP 36 8.740 -14.604 -4.283 268 HZ2 TRP 36 HZ2 TRP 36 10.092 -10.919 -7.351 269 HZ3 TRP 36 HZ3 TRP 36 10.519 -13.014 -3.608 270 HH2 TRP 36 HH2 TRP 36 11.202 -11.170 -5.124 271 H CYS 37 H CYS 37 5.381 -13.165 -3.877 272 HA CYS 37 HA CYS 37 7.531 -13.937 -2.066 273 HB2 CYS 37 2HB CYS 37 7.624 -11.747 -2.807 274 HB3 CYS 37 3HB CYS 37 5.895 -11.518 -2.677 275 H GLY 38 H GLY 38 7.321 -15.014 -0.248 276 HA2 GLY 38 2HA GLY 38 4.977 -16.005 0.899 277 HA3 GLY 38 3HA GLY 38 6.535 -15.896 1.716 278 HA PRO 39 HA PRO 39 4.921 -12.768 4.384 279 HB2 PRO 39 2HB PRO 39 6.493 -10.510 4.319 280 HB3 PRO 39 3HB PRO 39 6.956 -12.056 5.085 281 HG2 PRO 39 2HG PRO 39 7.689 -11.042 2.334 282 HG3 PRO 39 3HG PRO 39 8.755 -11.776 3.567 283 HD2 PRO 39 2HD PRO 39 7.752 -13.222 1.499 284 HD3 PRO 39 3HD PRO 39 7.919 -13.949 3.122 285 H CYS 40 H CYS 40 5.247 -11.681 1.033 286 HA CYS 40 HA CYS 40 3.409 -9.461 1.195 287 HB2 CYS 40 2HB CYS 40 4.006 -11.213 -1.208 288 HB3 CYS 40 3HB CYS 40 3.291 -9.622 -1.192 289 H LYS 41 H LYS 41 3.007 -12.947 0.399 290 HA LYS 41 HA LYS 41 0.111 -12.863 0.268 291 HB2 LYS 41 2HB LYS 41 2.169 -15.069 0.629 292 HB3 LYS 41 3HB LYS 41 0.445 -15.415 0.700 293 HG2 LYS 41 2HG LYS 41 1.684 -13.964 -1.679 294 HG3 LYS 41 3HG LYS 41 1.625 -15.726 -1.558 295 HD2 LYS 41 2HD LYS 41 -0.822 -15.702 -1.399 296 HD3 LYS 41 3HD LYS 41 -0.845 -13.941 -1.375 297 HE2 LYS 41 2HE LYS 41 -1.495 -14.755 -3.553 298 HE3 LYS 41 3HE LYS 41 0.002 -13.827 -3.661 299 HZ1 LYS 41 3HZ LYS 41 -0.047 -15.981 -4.935 300 HZ2 LYS 41 1HZ LYS 41 -0.009 -16.795 -3.518 301 HZ3 LYS 41 2HZ LYS 41 1.239 -15.802 -3.959 302 H MET 42 H MET 42 2.346 -13.300 3.005 303 HA MET 42 HA MET 42 0.349 -13.902 4.949 304 HB2 MET 42 2HB MET 42 2.761 -14.199 5.278 305 HB3 MET 42 3HB MET 42 2.990 -12.449 5.333 306 HG2 MET 42 2HG MET 42 1.121 -13.822 7.267 307 HG3 MET 42 3HG MET 42 2.862 -13.802 7.534 308 HE1 MET 42 3HE MET 42 1.506 -11.228 10.175 309 HE2 MET 42 1HE MET 42 0.669 -12.684 9.595 310 HE3 MET 42 2HE MET 42 2.416 -12.735 9.928 311 H VAL 43 H VAL 43 1.448 -10.651 3.781 312 HA VAL 43 HA VAL 43 -0.454 -9.332 5.582 313 HB VAL 43 HB VAL 43 0.232 -7.243 4.617 314 HG11 VAL 43 1HG1 VAL 43 1.519 -8.285 6.456 315 HG12 VAL 43 2HG1 VAL 43 2.647 -8.958 5.262 316 HG13 VAL 43 3HG1 VAL 43 2.485 -7.194 5.434 317 HG21 VAL 43 3HG2 VAL 43 2.012 -7.021 2.994 318 HG22 VAL 43 1HG2 VAL 43 2.148 -8.779 2.843 319 HG23 VAL 43 2HG2 VAL 43 0.693 -7.947 2.270 320 H ALA 44 H ALA 44 -0.869 -10.796 2.512 321 HA ALA 44 HA ALA 44 -2.604 -9.001 1.285 322 HB1 ALA 44 3HB ALA 44 -3.351 -10.828 -0.090 323 HB2 ALA 44 1HB ALA 44 -1.610 -10.981 0.205 324 HB3 ALA 44 2HB ALA 44 -2.745 -12.029 1.057 325 HA PRO 45 HA PRO 45 -6.420 -10.794 3.676 326 HB2 PRO 45 2HB PRO 45 -5.097 -11.717 6.216 327 HB3 PRO 45 3HB PRO 45 -6.535 -12.380 5.381 328 HG2 PRO 45 2HG PRO 45 -4.144 -13.646 5.232 329 HG3 PRO 45 3HG PRO 45 -5.177 -13.494 3.768 330 HD2 PRO 45 2HD PRO 45 -2.828 -11.768 4.594 331 HD3 PRO 45 3HD PRO 45 -3.157 -12.539 3.020 332 H VAL 46 H VAL 46 -3.605 -9.490 5.491 333 HA VAL 46 HA VAL 46 -5.132 -7.889 7.314 334 HB VAL 46 HB VAL 46 -2.238 -7.698 6.374 335 HG11 VAL 46 1HG1 VAL 46 -3.549 -6.162 8.614 336 HG12 VAL 46 2HG1 VAL 46 -1.793 -6.310 8.366 337 HG13 VAL 46 3HG1 VAL 46 -2.789 -5.494 7.164 338 HG21 VAL 46 3HG2 VAL 46 -3.436 -8.792 8.945 339 HG22 VAL 46 1HG2 VAL 46 -2.780 -9.756 7.609 340 HG23 VAL 46 2HG2 VAL 46 -1.710 -8.711 8.536 341 H LEU 47 H LEU 47 -3.494 -6.981 4.231 342 HA LEU 47 HA LEU 47 -4.531 -4.268 4.272 343 HB2 LEU 47 2HB LEU 47 -3.597 -4.068 2.065 344 HB3 LEU 47 3HB LEU 47 -2.485 -4.833 3.174 345 HG LEU 47 HG LEU 47 -3.416 -7.062 2.072 346 HD11 LEU 47 1HD1 LEU 47 -5.103 -5.968 0.596 347 HD12 LEU 47 2HD1 LEU 47 -3.848 -6.794 -0.322 348 HD13 LEU 47 3HD1 LEU 47 -3.804 -5.015 -0.146 349 HD21 LEU 47 3HD2 LEU 47 -1.480 -5.175 0.672 350 HD22 LEU 47 1HD2 LEU 47 -1.569 -6.931 0.430 351 HD23 LEU 47 2HD2 LEU 47 -1.079 -6.283 1.998 352 H GLU 48 H GLU 48 -5.807 -7.302 2.795 353 HA GLU 48 HA GLU 48 -8.044 -6.058 1.499 354 HB2 GLU 48 2HB GLU 48 -7.200 -8.379 1.153 355 HB3 GLU 48 3HB GLU 48 -7.837 -8.841 2.730 356 HG2 GLU 48 2HG GLU 48 -10.131 -8.311 1.939 357 HG3 GLU 48 3HG GLU 48 -9.467 -7.779 0.387 358 H GLU 49 H GLU 49 -7.669 -7.354 4.820 359 HA GLU 49 HA GLU 49 -10.406 -6.877 5.514 360 HB2 GLU 49 2HB GLU 49 -7.932 -7.510 7.151 361 HB3 GLU 49 3HB GLU 49 -9.490 -7.174 7.910 362 HG2 GLU 49 2HG GLU 49 -10.566 -8.980 6.696 363 HG3 GLU 49 3HG GLU 49 -9.100 -9.353 5.812 364 H ILE 50 H ILE 50 -7.413 -4.940 6.179 365 HA ILE 50 HA ILE 50 -8.794 -2.828 7.576 366 HB ILE 50 HB ILE 50 -6.249 -2.896 5.951 367 HG12 ILE 50 2HG1 ILE 50 -6.209 -4.186 8.084 368 HG13 ILE 50 3HG1 ILE 50 -5.083 -2.843 8.087 369 HG21 ILE 50 1HG2 ILE 50 -7.336 -0.537 7.523 370 HG22 ILE 50 2HG2 ILE 50 -5.632 -0.719 7.038 371 HG23 ILE 50 3HG2 ILE 50 -6.887 -0.606 5.807 372 HD11 ILE 50 3HD1 ILE 50 -7.780 -2.899 9.513 373 HD12 ILE 50 1HD1 ILE 50 -6.184 -3.075 10.249 374 HD13 ILE 50 2HD1 ILE 50 -6.637 -1.532 9.516 375 H ALA 51 H ALA 51 -8.174 -3.312 4.047 376 HA ALA 51 HA ALA 51 -9.439 -0.897 3.209 377 HB1 ALA 51 3HB ALA 51 -8.029 -2.424 1.824 378 HB2 ALA 51 1HB ALA 51 -9.360 -3.589 1.782 379 HB3 ALA 51 2HB ALA 51 -9.561 -1.983 1.051 380 H THR 52 H THR 52 -10.830 -4.125 3.961 381 HA THR 52 HA THR 52 -13.522 -3.470 3.098 382 HB THR 52 HB THR 52 -12.482 -5.611 5.005 383 HG1 THR 52 HG1 THR 52 -11.682 -5.915 3.010 384 HG21 THR 52 3HG2 THR 52 -14.849 -5.439 5.413 385 HG22 THR 52 1HG2 THR 52 -14.589 -6.826 4.348 386 HG23 THR 52 2HG2 THR 52 -15.202 -5.292 3.678 387 H GLU 53 H GLU 53 -11.781 -3.267 6.216 388 HA GLU 53 HA GLU 53 -14.205 -2.692 7.734 389 HB2 GLU 53 2HB GLU 53 -11.248 -2.756 8.404 390 HB3 GLU 53 3HB GLU 53 -12.489 -2.402 9.601 391 HG2 GLU 53 2HG GLU 53 -12.699 -4.937 7.935 392 HG3 GLU 53 3HG GLU 53 -11.602 -4.861 9.295 393 H ARG 54 H ARG 54 -11.609 -0.700 6.387 394 HA ARG 54 HA ARG 54 -12.887 1.740 7.555 395 HB2 ARG 54 2HB ARG 54 -9.930 1.275 7.084 396 HB3 ARG 54 3HB ARG 54 -10.677 2.706 7.789 397 HG2 ARG 54 2HG ARG 54 -10.453 -0.031 9.053 398 HG3 ARG 54 3HG ARG 54 -9.666 1.465 9.525 399 HD2 ARG 54 2HD ARG 54 -12.514 0.611 9.966 400 HD3 ARG 54 3HD ARG 54 -11.341 1.191 11.124 401 HE ARG 54 HE ARG 54 -11.611 3.476 10.135 402 HH11 ARG 54 1HH1 ARG 54 -14.306 1.250 9.440 403 HH12 ARG 54 2HH1 ARG 54 -15.423 2.614 9.474 404 HH21 ARG 54 1HH2 ARG 54 -13.109 5.028 9.774 405 HH22 ARG 54 2HH2 ARG 54 -14.785 4.556 9.473 406 H ALA 55 H ALA 55 -13.405 0.594 4.902 407 HA ALA 55 HA ALA 55 -12.375 2.079 2.792 408 HB1 ALA 55 3HB ALA 55 -13.969 0.189 2.596 409 HB2 ALA 55 1HB ALA 55 -15.266 1.209 3.255 410 HB3 ALA 55 2HB ALA 55 -14.531 1.599 1.686 411 H THR 56 H THR 56 -14.551 3.312 5.302 412 HA THR 56 HA THR 56 -15.337 5.732 3.894 413 HB THR 56 HB THR 56 -16.092 6.406 6.234 414 HG1 THR 56 HG1 THR 56 -16.219 4.583 7.661 415 HG21 THR 56 3HG2 THR 56 -17.977 4.842 6.259 416 HG22 THR 56 1HG2 THR 56 -17.109 3.725 5.182 417 HG23 THR 56 2HG2 THR 56 -17.615 5.325 4.595 418 H ASP 57 H ASP 57 -12.644 4.898 6.076 419 HA ASP 57 HA ASP 57 -11.833 7.760 6.254 420 HB2 ASP 57 2HB ASP 57 -10.813 5.232 7.573 421 HB3 ASP 57 3HB ASP 57 -9.937 6.753 7.644 422 H LEU 58 H LEU 58 -10.692 4.713 4.733 423 HA LEU 58 HA LEU 58 -8.790 6.296 3.109 424 HB2 LEU 58 2HB LEU 58 -6.896 4.911 3.666 425 HB3 LEU 58 3HB LEU 58 -7.475 5.809 5.030 426 HG LEU 58 HG LEU 58 -6.578 3.508 5.427 427 HD11 LEU 58 1HD1 LEU 58 -7.947 4.726 7.091 428 HD12 LEU 58 2HD1 LEU 58 -8.126 2.965 7.198 429 HD13 LEU 58 3HD1 LEU 58 -9.389 3.934 6.430 430 HD21 LEU 58 3HD2 LEU 58 -7.683 2.296 3.583 431 HD22 LEU 58 1HD2 LEU 58 -9.228 2.435 4.465 432 HD23 LEU 58 2HD2 LEU 58 -7.878 1.544 5.174 433 H THR 59 H THR 59 -7.590 5.054 1.539 434 HA THR 59 HA THR 59 -9.048 2.685 0.409 435 HB THR 59 HB THR 59 -7.463 4.809 -1.083 436 HG1 THR 59 HG1 THR 59 -9.479 5.288 -1.969 437 HG21 THR 59 3HG2 THR 59 -7.205 2.671 -2.246 438 HG22 THR 59 1HG2 THR 59 -8.349 3.676 -3.132 439 HG23 THR 59 2HG2 THR 59 -8.951 2.350 -2.112 440 H VAL 60 H VAL 60 -7.753 0.891 -0.196 441 HA VAL 60 HA VAL 60 -4.831 1.127 0.348 442 HB VAL 60 HB VAL 60 -6.412 -1.361 0.913 443 HG11 VAL 60 1HG1 VAL 60 -4.277 -1.994 2.114 444 HG12 VAL 60 2HG1 VAL 60 -4.177 -1.966 0.348 445 HG13 VAL 60 3HG1 VAL 60 -3.494 -0.634 1.298 446 HG21 VAL 60 3HG2 VAL 60 -5.915 -0.918 3.316 447 HG22 VAL 60 1HG2 VAL 60 -5.328 0.700 2.864 448 HG23 VAL 60 2HG2 VAL 60 -7.027 0.247 2.609 449 H ALA 61 H ALA 61 -3.497 0.403 -1.160 450 HA ALA 61 HA ALA 61 -4.557 -0.889 -3.617 451 HB1 ALA 61 3HB ALA 61 -4.431 1.577 -3.880 452 HB2 ALA 61 1HB ALA 61 -2.722 1.534 -3.405 453 HB3 ALA 61 2HB ALA 61 -3.240 0.759 -4.914 454 H LYS 62 H LYS 62 -2.807 -1.824 -5.024 455 HA LYS 62 HA LYS 62 -0.212 -2.227 -3.588 456 HB2 LYS 62 2HB LYS 62 -1.183 -4.435 -5.362 457 HB3 LYS 62 3HB LYS 62 0.063 -4.418 -4.138 458 HG2 LYS 62 2HG LYS 62 -1.435 -5.583 -2.950 459 HG3 LYS 62 3HG LYS 62 -2.039 -4.004 -2.485 460 HD2 LYS 62 2HD LYS 62 -3.795 -4.133 -4.209 461 HD3 LYS 62 3HD LYS 62 -3.058 -5.598 -4.886 462 HE2 LYS 62 2HE LYS 62 -3.426 -6.737 -2.676 463 HE3 LYS 62 3HE LYS 62 -4.335 -5.319 -2.139 464 HZ1 LYS 62 3HZ LYS 62 -6.003 -5.749 -3.776 465 HZ2 LYS 62 1HZ LYS 62 -5.725 -7.160 -3.054 466 HZ3 LYS 62 2HZ LYS 62 -5.100 -6.898 -4.541 467 H LEU 63 H LEU 63 1.616 -2.377 -4.726 468 HA LEU 63 HA LEU 63 1.549 -1.813 -7.654 469 HB2 LEU 63 2HB LEU 63 2.372 0.154 -6.465 470 HB3 LEU 63 3HB LEU 63 3.586 -0.801 -5.640 471 HG LEU 63 HG LEU 63 4.405 0.615 -7.502 472 HD11 LEU 63 1HD1 LEU 63 5.559 -1.575 -6.764 473 HD12 LEU 63 2HD1 LEU 63 6.058 -0.794 -8.279 474 HD13 LEU 63 3HD1 LEU 63 5.014 -2.211 -8.326 475 HD21 LEU 63 3HD2 LEU 63 2.969 -1.320 -9.351 476 HD22 LEU 63 1HD2 LEU 63 4.121 -0.084 -9.841 477 HD23 LEU 63 2HD2 LEU 63 2.587 0.399 -9.092 478 H ASP 64 H ASP 64 2.387 -3.341 -8.824 479 HA ASP 64 HA ASP 64 3.493 -5.763 -7.512 480 HB2 ASP 64 2HB ASP 64 2.285 -5.216 -10.235 481 HB3 ASP 64 3HB ASP 64 3.180 -6.692 -9.874 482 H VAL 65 H VAL 65 5.643 -5.426 -7.090 483 HA VAL 65 HA VAL 65 7.376 -3.931 -8.827 484 HB VAL 65 HB VAL 65 9.156 -4.434 -7.408 485 HG11 VAL 65 1HG1 VAL 65 8.374 -3.887 -5.204 486 HG12 VAL 65 2HG1 VAL 65 7.355 -3.046 -6.385 487 HG13 VAL 65 3HG1 VAL 65 6.748 -4.493 -5.565 488 HG21 VAL 65 3HG2 VAL 65 9.057 -6.884 -7.267 489 HG22 VAL 65 1HG2 VAL 65 9.200 -6.157 -5.674 490 HG23 VAL 65 2HG2 VAL 65 7.628 -6.779 -6.221 491 H ASP 66 H ASP 66 6.380 -7.209 -8.921 492 HA ASP 66 HA ASP 66 8.544 -8.365 -10.418 493 HB2 ASP 66 2HB ASP 66 6.838 -9.566 -9.024 494 HB3 ASP 66 3HB ASP 66 5.614 -9.178 -10.231 495 H THR 67 H THR 67 5.757 -6.422 -11.400 496 HA THR 67 HA THR 67 6.403 -6.895 -14.296 497 HB THR 67 HB THR 67 4.023 -6.524 -14.777 498 HG1 THR 67 HG1 THR 67 2.564 -6.578 -13.056 499 HG21 THR 67 3HG2 THR 67 4.391 -8.768 -12.747 500 HG22 THR 67 1HG2 THR 67 4.881 -8.848 -14.454 501 HG23 THR 67 2HG2 THR 67 3.170 -8.667 -14.032 502 H ASN 68 H ASN 68 5.734 -4.418 -11.865 503 HA ASN 68 HA ASN 68 6.574 -2.396 -13.870 504 HB2 ASN 68 2HB ASN 68 4.044 -2.526 -13.756 505 HB3 ASN 68 3HB ASN 68 4.146 -1.988 -12.079 506 HD21 ASN 68 1HD2 ASN 68 5.199 -1.097 -15.416 507 HD22 ASN 68 2HD2 ASN 68 5.090 0.630 -15.125 508 HA PRO 69 HA PRO 69 8.783 -1.904 -9.814 509 HB2 PRO 69 2HB PRO 69 11.363 -1.954 -10.709 510 HB3 PRO 69 3HB PRO 69 10.407 -3.436 -10.424 511 HG2 PRO 69 2HG PRO 69 10.818 -1.969 -13.055 512 HG3 PRO 69 3HG PRO 69 11.056 -3.716 -12.718 513 HD2 PRO 69 2HD PRO 69 8.753 -2.777 -13.806 514 HD3 PRO 69 3HD PRO 69 8.730 -4.107 -12.609 515 H GLU 70 H GLU 70 8.239 0.032 -12.517 516 HA GLU 70 HA GLU 70 10.174 2.092 -12.249 517 HB2 GLU 70 2HB GLU 70 7.348 2.104 -13.372 518 HB3 GLU 70 3HB GLU 70 8.472 3.456 -13.536 519 HG2 GLU 70 2HG GLU 70 8.961 0.650 -14.597 520 HG3 GLU 70 3HG GLU 70 8.386 2.013 -15.547 521 H THR 71 H THR 71 6.918 1.882 -10.657 522 HA THR 71 HA THR 71 7.535 4.259 -9.076 523 HB THR 71 HB THR 71 5.482 3.304 -7.718 524 HG1 THR 71 HG1 THR 71 4.058 2.429 -9.297 525 HG21 THR 71 3HG2 THR 71 5.415 4.759 -10.385 526 HG22 THR 71 1HG2 THR 71 5.550 5.488 -8.772 527 HG23 THR 71 2HG2 THR 71 4.052 4.672 -9.243 528 H ALA 72 H ALA 72 8.129 0.817 -8.670 529 HA ALA 72 HA ALA 72 8.629 0.926 -5.841 530 HB1 ALA 72 3HB ALA 72 9.959 -0.918 -7.868 531 HB2 ALA 72 1HB ALA 72 9.723 -1.195 -6.138 532 HB3 ALA 72 2HB ALA 72 8.322 -1.160 -7.227 533 H ARG 73 H ARG 73 10.801 1.517 -8.650 534 HA ARG 73 HA ARG 73 13.006 2.337 -6.911 535 HB2 ARG 73 2HB ARG 73 14.218 2.897 -8.871 536 HB3 ARG 73 3HB ARG 73 13.414 1.347 -9.111 537 HG2 ARG 73 2HG ARG 73 11.673 2.475 -10.484 538 HG3 ARG 73 3HG ARG 73 12.500 4.027 -10.255 539 HD2 ARG 73 2HD ARG 73 14.551 3.001 -11.328 540 HD3 ARG 73 3HD ARG 73 13.608 1.542 -11.625 541 HE ARG 73 HE ARG 73 12.463 2.575 -13.364 542 HH11 ARG 73 1HH1 ARG 73 14.405 5.045 -11.777 543 HH12 ARG 73 2HH1 ARG 73 14.081 6.214 -13.027 544 HH21 ARG 73 1HH2 ARG 73 12.013 4.137 -14.844 545 HH22 ARG 73 2HH2 ARG 73 12.791 5.701 -14.733 546 H ASN 74 H ASN 74 10.301 4.105 -8.334 547 HA ASN 74 HA ASN 74 11.264 6.750 -7.875 548 HB2 ASN 74 2HB ASN 74 9.164 6.104 -9.154 549 HB3 ASN 74 3HB ASN 74 8.387 5.769 -7.610 550 HD21 ASN 74 1HD2 ASN 74 7.550 7.497 -6.383 551 HD22 ASN 74 2HD2 ASN 74 7.728 9.158 -6.912 552 H PHE 75 H PHE 75 9.529 4.513 -5.691 553 HA PHE 75 HA PHE 75 9.999 6.312 -3.381 554 HB2 PHE 75 2HB PHE 75 8.271 3.841 -3.644 555 HB3 PHE 75 3HB PHE 75 8.400 4.858 -2.210 556 HD1 PHE 75 HD1 PHE 75 7.888 7.417 -2.500 557 HD2 PHE 75 HD2 PHE 75 6.629 4.383 -5.286 558 HE1 PHE 75 HE1 PHE 75 6.197 8.975 -3.437 559 HE2 PHE 75 HE2 PHE 75 4.946 5.944 -6.230 560 HZ PHE 75 HZ PHE 75 4.727 8.244 -5.308 561 H GLN 76 H GLN 76 12.044 4.508 -4.785 562 HA GLN 76 HA GLN 76 13.845 3.266 -4.315 563 HB2 GLN 76 2HB GLN 76 14.120 5.600 -3.307 564 HB3 GLN 76 3HB GLN 76 13.942 4.836 -1.725 565 HG2 GLN 76 2HG GLN 76 15.932 3.391 -2.247 566 HG3 GLN 76 3HG GLN 76 16.042 4.139 -3.842 567 HE21 GLN 76 1HE2 GLN 76 16.309 4.829 -0.314 568 HE22 GLN 76 2HE2 GLN 76 17.327 6.245 -0.541 569 H VAL 77 H VAL 77 11.727 1.659 -3.814 570 HA VAL 77 HA VAL 77 11.754 0.464 -1.173 571 HB VAL 77 HB VAL 77 10.509 -0.490 -3.781 572 HG11 VAL 77 1HG1 VAL 77 10.748 -2.392 -2.253 573 HG12 VAL 77 2HG1 VAL 77 10.094 -1.429 -0.909 574 HG13 VAL 77 3HG1 VAL 77 9.065 -1.877 -2.286 575 HG21 VAL 77 3HG2 VAL 77 9.345 0.999 -1.378 576 HG22 VAL 77 1HG2 VAL 77 9.576 1.662 -3.010 577 HG23 VAL 77 2HG2 VAL 77 8.412 0.365 -2.748 578 H VAL 78 H VAL 78 13.165 -0.896 -0.383 579 HA VAL 78 HA VAL 78 15.102 -2.280 -2.156 580 HB VAL 78 HB VAL 78 15.901 -0.686 -0.481 581 HG11 VAL 78 1HG1 VAL 78 14.284 -1.085 1.357 582 HG12 VAL 78 2HG1 VAL 78 15.001 -2.690 1.631 583 HG13 VAL 78 3HG1 VAL 78 15.959 -1.224 1.896 584 HG21 VAL 78 3HG2 VAL 78 17.746 -1.988 0.358 585 HG22 VAL 78 1HG2 VAL 78 16.861 -3.505 0.116 586 HG23 VAL 78 2HG2 VAL 78 17.353 -2.524 -1.284 587 H SER 79 H SER 79 12.552 -3.057 0.097 588 HA SER 79 HA SER 79 12.997 -5.982 -0.293 589 HB2 SER 79 2HB SER 79 12.310 -4.587 2.326 590 HB3 SER 79 3HB SER 79 12.307 -6.340 2.062 591 HG SER 79 HG SER 79 14.276 -5.631 2.990 592 H ILE 80 H ILE 80 11.047 -7.275 0.056 593 HA ILE 80 HA ILE 80 8.509 -5.752 -0.018 594 HB ILE 80 HB ILE 80 7.528 -7.351 -1.577 595 HG12 ILE 80 2HG1 ILE 80 10.380 -8.257 -2.177 596 HG13 ILE 80 3HG1 ILE 80 9.183 -9.215 -1.307 597 HG21 ILE 80 1HG2 ILE 80 9.884 -5.895 -2.827 598 HG22 ILE 80 2HG2 ILE 80 8.276 -6.204 -3.525 599 HG23 ILE 80 3HG2 ILE 80 8.453 -5.066 -2.193 600 HD11 ILE 80 3HD1 ILE 80 9.000 -8.323 -4.209 601 HD12 ILE 80 1HD1 ILE 80 9.232 -9.963 -3.586 602 HD13 ILE 80 2HD1 ILE 80 7.690 -9.130 -3.312 603 HA PRO 81 HA PRO 81 6.203 -6.219 0.156 604 HB2 PRO 81 2HB PRO 81 4.498 -5.881 2.251 605 HB3 PRO 81 3HB PRO 81 4.451 -7.331 1.199 606 HG2 PRO 81 2HG PRO 81 5.827 -6.998 3.885 607 HG3 PRO 81 3HG PRO 81 4.722 -8.310 3.374 608 HD2 PRO 81 2HD PRO 81 7.433 -8.583 3.252 609 HD3 PRO 81 3HD PRO 81 6.372 -9.280 1.992 610 H THR 82 H THR 82 5.937 -3.969 0.446 611 HA THR 82 HA THR 82 7.052 -2.693 2.893 612 HB THR 82 HB THR 82 7.839 -1.929 0.068 613 HG1 THR 82 HG1 THR 82 9.411 -3.112 0.877 614 HG21 THR 82 3HG2 THR 82 8.996 0.022 1.116 615 HG22 THR 82 1HG2 THR 82 8.114 -0.289 2.627 616 HG23 THR 82 2HG2 THR 82 7.237 0.187 1.151 617 H LEU 83 H LEU 83 5.574 -1.526 3.786 618 HA LEU 83 HA LEU 83 3.121 -0.777 2.261 619 HB2 LEU 83 2HB LEU 83 3.675 -1.463 5.164 620 HB3 LEU 83 3HB LEU 83 2.160 -0.724 4.652 621 HG LEU 83 HG LEU 83 3.136 -3.253 3.269 622 HD11 LEU 83 1HD1 LEU 83 1.868 -4.624 4.831 623 HD12 LEU 83 2HD1 LEU 83 1.508 -3.204 5.831 624 HD13 LEU 83 3HD1 LEU 83 3.186 -3.788 5.665 625 HD21 LEU 83 3HD2 LEU 83 0.338 -2.214 3.906 626 HD22 LEU 83 1HD2 LEU 83 0.755 -3.612 2.897 627 HD23 LEU 83 2HD2 LEU 83 1.176 -1.976 2.359 628 H ILE 84 H ILE 84 2.873 1.282 1.767 629 HA ILE 84 HA ILE 84 4.168 3.383 3.442 630 HB ILE 84 HB ILE 84 5.475 2.777 1.447 631 HG12 ILE 84 2HG1 ILE 84 5.509 5.054 2.575 632 HG13 ILE 84 3HG1 ILE 84 6.267 4.859 1.012 633 HG21 ILE 84 1HG2 ILE 84 4.826 3.539 -0.783 634 HG22 ILE 84 2HG2 ILE 84 3.801 2.232 -0.170 635 HG23 ILE 84 3HG2 ILE 84 3.191 3.897 -0.186 636 HD11 ILE 84 3HD1 ILE 84 5.042 6.998 1.291 637 HD12 ILE 84 1HD1 ILE 84 4.530 6.054 -0.112 638 HD13 ILE 84 2HD1 ILE 84 3.512 6.109 1.345 639 H LEU 85 H LEU 85 3.046 5.148 3.887 640 HA LEU 85 HA LEU 85 0.188 5.167 2.991 641 HB2 LEU 85 2HB LEU 85 0.542 4.313 5.230 642 HB3 LEU 85 3HB LEU 85 1.462 5.748 5.678 643 HG LEU 85 HG LEU 85 -0.510 7.146 5.558 644 HD11 LEU 85 1HD1 LEU 85 -1.808 6.146 3.739 645 HD12 LEU 85 2HD1 LEU 85 -2.775 6.171 5.206 646 HD13 LEU 85 3HD1 LEU 85 -2.030 4.651 4.676 647 HD21 LEU 85 3HD2 LEU 85 -1.723 6.199 7.417 648 HD22 LEU 85 1HD2 LEU 85 -0.023 5.757 7.607 649 HD23 LEU 85 2HD2 LEU 85 -1.181 4.551 7.016 650 H PHE 86 H PHE 86 -0.506 6.835 1.963 651 HA PHE 86 HA PHE 86 0.871 9.468 2.085 652 HB2 PHE 86 2HB PHE 86 -1.101 8.341 0.059 653 HB3 PHE 86 3HB PHE 86 -0.370 9.932 -0.012 654 HD1 PHE 86 HD1 PHE 86 0.359 6.273 -0.248 655 HD2 PHE 86 HD2 PHE 86 1.766 10.274 -1.030 656 HE1 PHE 86 HE1 PHE 86 2.181 5.362 -1.655 657 HE2 PHE 86 HE2 PHE 86 3.603 9.354 -2.418 658 HZ PHE 86 HZ PHE 86 3.817 6.894 -2.726 659 H LYS 87 H LYS 87 -0.349 11.369 2.396 660 HA LYS 87 HA LYS 87 -3.295 11.237 2.664 661 HB2 LYS 87 2HB LYS 87 -2.440 11.009 4.981 662 HB3 LYS 87 3HB LYS 87 -1.510 12.502 4.786 663 HG2 LYS 87 2HG LYS 87 -3.631 13.777 4.478 664 HG3 LYS 87 3HG LYS 87 -4.550 12.275 4.579 665 HD2 LYS 87 2HD LYS 87 -4.692 13.472 6.688 666 HD3 LYS 87 3HD LYS 87 -3.851 11.947 6.898 667 HE2 LYS 87 2HE LYS 87 -2.715 13.589 8.209 668 HE3 LYS 87 3HE LYS 87 -1.656 13.161 6.867 669 HZ1 LYS 87 3HZ LYS 87 -3.371 15.595 6.989 670 HZ2 LYS 87 1HZ LYS 87 -2.359 15.229 5.755 671 HZ3 LYS 87 2HZ LYS 87 -1.760 15.572 7.233 672 H ASP 88 H ASP 88 -4.263 12.986 1.714 673 HA ASP 88 HA ASP 88 -4.444 14.579 0.165 674 HB2 ASP 88 2HB ASP 88 -4.049 15.960 2.199 675 HB3 ASP 88 3HB ASP 88 -2.354 16.108 1.735 676 H GLY 89 H GLY 89 -2.716 12.458 -0.479 677 HA2 GLY 89 2HA GLY 89 -1.366 11.723 -2.156 678 HA3 GLY 89 3HA GLY 89 -1.357 13.335 -2.872 679 H GLN 90 H GLN 90 -0.272 13.443 0.392 680 HA GLN 90 HA GLN 90 2.537 13.582 -0.517 681 HB2 GLN 90 2HB GLN 90 1.480 14.527 2.155 682 HB3 GLN 90 3HB GLN 90 2.996 14.942 1.365 683 HG2 GLN 90 2HG GLN 90 0.188 15.857 0.644 684 HG3 GLN 90 3HG GLN 90 1.513 16.837 1.236 685 HE21 GLN 90 1HE2 GLN 90 -0.197 16.149 -1.534 686 HE22 GLN 90 2HE2 GLN 90 1.055 16.561 -2.710 687 HA PRO 91 HA PRO 91 3.079 9.668 1.699 688 HB2 PRO 91 2HB PRO 91 5.801 9.428 1.645 689 HB3 PRO 91 3HB PRO 91 4.763 9.165 0.211 690 HG2 PRO 91 2HG PRO 91 6.297 11.670 0.960 691 HG3 PRO 91 3HG PRO 91 6.229 10.842 -0.629 692 HD2 PRO 91 2HD PRO 91 4.671 13.007 -0.042 693 HD3 PRO 91 3HD PRO 91 4.069 11.673 -1.074 694 H VAL 92 H VAL 92 3.144 9.245 3.850 695 HA VAL 92 HA VAL 92 4.287 11.334 5.664 696 HB VAL 92 HB VAL 92 2.119 9.400 6.497 697 HG11 VAL 92 1HG1 VAL 92 1.643 11.316 8.068 698 HG12 VAL 92 2HG1 VAL 92 3.260 10.632 8.282 699 HG13 VAL 92 3HG1 VAL 92 3.043 12.167 7.410 700 HG21 VAL 92 3HG2 VAL 92 1.156 10.539 4.555 701 HG22 VAL 92 1HG2 VAL 92 0.471 11.212 6.031 702 HG23 VAL 92 2HG2 VAL 92 1.728 12.114 5.154 703 H LYS 93 H LYS 93 3.932 7.778 5.369 704 HA LYS 93 HA LYS 93 6.599 7.437 6.491 705 HB2 LYS 93 2HB LYS 93 5.843 5.720 8.200 706 HB3 LYS 93 3HB LYS 93 5.621 7.418 8.602 707 HG2 LYS 93 2HG LYS 93 3.261 7.321 8.261 708 HG3 LYS 93 3HG LYS 93 3.345 5.742 7.476 709 HD2 LYS 93 2HD LYS 93 2.491 5.841 9.896 710 HD3 LYS 93 3HD LYS 93 3.686 4.598 9.493 711 HE2 LYS 93 2HE LYS 93 5.466 5.800 10.536 712 HE3 LYS 93 3HE LYS 93 4.479 7.257 10.733 713 HZ1 LYS 93 3HZ LYS 93 4.773 5.721 12.738 714 HZ2 LYS 93 1HZ LYS 93 3.651 4.735 12.051 715 HZ3 LYS 93 2HZ LYS 93 3.299 6.319 12.441 716 H ARG 94 H ARG 94 7.539 5.501 6.158 717 HA ARG 94 HA ARG 94 6.211 3.468 4.404 718 HB2 ARG 94 2HB ARG 94 7.797 5.005 3.145 719 HB3 ARG 94 3HB ARG 94 9.090 4.477 4.214 720 HG2 ARG 94 2HG ARG 94 8.671 2.086 3.417 721 HG3 ARG 94 3HG ARG 94 7.486 2.740 2.293 722 HD2 ARG 94 2HD ARG 94 9.405 2.513 0.996 723 HD3 ARG 94 3HD ARG 94 9.396 4.239 1.392 724 HE ARG 94 HE ARG 94 10.902 3.056 3.419 725 HH11 ARG 94 1HH2 ARG 94 11.294 3.319 -0.071 726 HH12 ARG 94 2HH2 ARG 94 12.927 2.731 -0.009 727 HH21 ARG 94 1HH1 ARG 94 13.064 2.505 3.419 728 HH22 ARG 94 2HH1 ARG 94 13.933 2.435 1.915 729 H ILE 95 H ILE 95 6.281 1.485 5.245 730 HA ILE 95 HA ILE 95 8.421 0.772 7.226 731 HB ILE 95 HB ILE 95 5.588 -0.301 7.198 732 HG12 ILE 95 2HG1 ILE 95 5.465 2.063 7.869 733 HG13 ILE 95 3HG1 ILE 95 5.051 0.961 9.159 734 HG21 ILE 95 1HG2 ILE 95 7.956 -0.639 9.094 735 HG22 ILE 95 2HG2 ILE 95 6.310 -1.139 9.497 736 HG23 ILE 95 3HG2 ILE 95 7.141 -1.892 8.138 737 HD11 ILE 95 3HD1 ILE 95 6.393 2.880 9.948 738 HD12 ILE 95 1HD1 ILE 95 7.204 1.339 10.271 739 HD13 ILE 95 2HD1 ILE 95 7.748 2.367 8.927 740 H VAL 96 H VAL 96 9.682 -0.868 6.637 741 HA VAL 96 HA VAL 96 8.965 -2.564 4.311 742 HB VAL 96 HB VAL 96 11.239 -3.303 4.293 743 HG11 VAL 96 1HG1 VAL 96 10.667 -1.137 3.176 744 HG12 VAL 96 2HG1 VAL 96 11.213 -0.271 4.622 745 HG13 VAL 96 3HG1 VAL 96 12.359 -1.244 3.679 746 HG21 VAL 96 3HG2 VAL 96 11.817 -3.318 6.686 747 HG22 VAL 96 1HG2 VAL 96 12.980 -2.365 5.764 748 HG23 VAL 96 2HG2 VAL 96 11.743 -1.543 6.734 749 H GLY 97 H GLY 97 8.796 -4.802 4.380 750 HA2 GLY 97 2HA GLY 97 8.744 -6.943 5.310 751 HA3 GLY 97 3HA GLY 97 9.098 -6.301 6.910 752 H ALA 98 H ALA 98 7.300 -8.157 6.913 753 HA ALA 98 HA ALA 98 4.622 -7.351 6.261 754 HB1 ALA 98 3HB ALA 98 4.011 -9.554 7.258 755 HB2 ALA 98 1HB ALA 98 5.315 -9.672 6.072 756 HB3 ALA 98 2HB ALA 98 5.684 -9.748 7.813 757 H LYS 99 H LYS 99 2.800 -7.179 7.613 758 HA LYS 99 HA LYS 99 3.175 -6.339 10.448 759 HB2 LYS 99 2HB LYS 99 1.762 -4.697 8.293 760 HB3 LYS 99 3HB LYS 99 1.795 -4.319 10.020 761 HG2 LYS 99 2HG LYS 99 4.276 -4.065 9.918 762 HG3 LYS 99 3HG LYS 99 4.239 -4.456 8.198 763 HD2 LYS 99 2HD LYS 99 4.419 -2.147 8.283 764 HD3 LYS 99 3HD LYS 99 2.790 -2.495 7.766 765 HE2 LYS 99 2HE LYS 99 2.695 -0.651 9.286 766 HE3 LYS 99 3HE LYS 99 1.922 -2.032 10.059 767 HZ1 LYS 99 3HZ LYS 99 3.501 -0.707 11.490 768 HZ2 LYS 99 1HZ LYS 99 4.738 -1.226 10.591 769 HZ3 LYS 99 2HZ LYS 99 3.871 -2.318 11.444 770 H GLY 100 H GLY 100 1.217 -6.307 11.688 771 HA2 GLY 100 2HA GLY 100 -0.992 -8.047 10.700 772 HA3 GLY 100 3HA GLY 100 -0.653 -7.643 12.380 773 H LYS 101 H LYS 101 -3.193 -7.342 11.401 774 HA LYS 101 HA LYS 101 -3.937 -4.827 10.307 775 HB2 LYS 101 2HB LYS 101 -5.401 -6.611 12.305 776 HB3 LYS 101 3HB LYS 101 -6.138 -5.235 11.474 777 HG2 LYS 101 2HG LYS 101 -5.716 -6.310 9.288 778 HG3 LYS 101 3HG LYS 101 -5.059 -7.732 10.119 779 HD2 LYS 101 2HD LYS 101 -7.892 -6.648 10.411 780 HD3 LYS 101 3HD LYS 101 -7.400 -8.011 9.396 781 HE2 LYS 101 2HE LYS 101 -6.649 -9.271 11.368 782 HE3 LYS 101 3HE LYS 101 -7.102 -7.928 12.429 783 HZ1 LYS 101 3HZ LYS 101 -9.402 -8.234 11.780 784 HZ2 LYS 101 1HZ LYS 101 -8.829 -9.686 12.269 785 HZ3 LYS 101 2HZ LYS 101 -9.019 -9.369 10.669 786 H ALA 102 H ALA 102 -3.223 -5.627 13.660 787 HA ALA 102 HA ALA 102 -4.241 -3.171 14.785 788 HB1 ALA 102 3HB ALA 102 -3.929 -5.226 16.103 789 HB2 ALA 102 1HB ALA 102 -2.168 -5.134 15.869 790 HB3 ALA 102 2HB ALA 102 -3.011 -3.881 16.804 791 H ALA 103 H ALA 103 -0.933 -4.156 13.787 792 HA ALA 103 HA ALA 103 0.301 -1.642 14.470 793 HB1 ALA 103 3HB ALA 103 1.515 -3.795 14.309 794 HB2 ALA 103 1HB ALA 103 1.201 -3.844 12.556 795 HB3 ALA 103 2HB ALA 103 2.218 -2.560 13.254 796 H LEU 104 H LEU 104 -1.072 -2.938 11.399 797 HA LEU 104 HA LEU 104 -0.296 -0.666 9.830 798 HB2 LEU 104 2HB LEU 104 -0.949 -3.042 9.087 799 HB3 LEU 104 3HB LEU 104 -2.624 -2.545 9.303 800 HG LEU 104 HG LEU 104 -2.304 -0.763 7.584 801 HD11 LEU 104 1HD1 LEU 104 0.513 -1.922 7.492 802 HD12 LEU 104 2HD1 LEU 104 0.044 -0.221 7.730 803 HD13 LEU 104 3HD1 LEU 104 -0.173 -0.986 6.157 804 HD21 LEU 104 3HD2 LEU 104 -2.103 -2.253 5.641 805 HD22 LEU 104 1HD2 LEU 104 -3.063 -3.030 6.907 806 HD23 LEU 104 2HD2 LEU 104 -1.370 -3.514 6.654 807 H LEU 105 H LEU 105 -3.332 -1.396 11.609 808 HA LEU 105 HA LEU 105 -4.586 1.077 10.920 809 HB2 LEU 105 2HB LEU 105 -5.740 -0.995 11.725 810 HB3 LEU 105 3HB LEU 105 -5.120 -0.618 13.334 811 HG LEU 105 HG LEU 105 -6.415 1.468 13.392 812 HD11 LEU 105 1HD1 LEU 105 -6.518 2.105 11.033 813 HD12 LEU 105 2HD1 LEU 105 -8.154 1.887 11.642 814 HD13 LEU 105 3HD1 LEU 105 -7.416 0.622 10.634 815 HD21 LEU 105 3HD2 LEU 105 -8.088 -0.935 12.550 816 HD22 LEU 105 1HD2 LEU 105 -8.648 0.458 13.505 817 HD23 LEU 105 2HD2 LEU 105 -7.433 -0.641 14.178 818 H ARG 106 H ARG 106 -2.286 0.219 13.537 819 HA ARG 106 HA ARG 106 -2.389 2.758 14.889 820 HB2 ARG 106 2HB ARG 106 -1.253 0.714 15.743 821 HB3 ARG 106 3HB ARG 106 0.034 0.931 14.571 822 HG2 ARG 106 2HG ARG 106 -0.713 2.995 16.677 823 HG3 ARG 106 3HG ARG 106 0.452 1.715 16.943 824 HD2 ARG 106 2HD ARG 106 0.743 4.021 14.975 825 HD3 ARG 106 3HD ARG 106 1.592 3.810 16.481 826 HE ARG 106 HE ARG 106 2.289 2.652 13.924 827 HH11 ARG 106 1HH1 ARG 106 2.702 2.133 17.377 828 HH12 ARG 106 2HH1 ARG 106 4.088 1.110 17.127 829 HH21 ARG 106 1HH2 ARG 106 3.904 1.231 13.687 830 HH22 ARG 106 2HH2 ARG 106 4.791 0.652 15.087 831 H GLU 107 H GLU 107 -0.324 1.712 12.097 832 HA GLU 107 HA GLU 107 0.869 4.290 11.721 833 HB2 GLU 107 2HB GLU 107 0.123 2.506 9.388 834 HB3 GLU 107 3HB GLU 107 1.420 3.663 9.496 835 HG2 GLU 107 2HG GLU 107 1.267 0.895 10.537 836 HG3 GLU 107 3HG GLU 107 2.456 1.601 9.497 837 H LEU 108 H LEU 108 -2.223 3.030 10.496 838 HA LEU 108 HA LEU 108 -2.953 5.398 9.065 839 HB2 LEU 108 2HB LEU 108 -4.304 2.954 10.174 840 HB3 LEU 108 3HB LEU 108 -5.352 4.214 9.629 841 HG LEU 108 HG LEU 108 -3.139 2.974 7.907 842 HD11 LEU 108 1HD1 LEU 108 -6.110 2.334 8.085 843 HD12 LEU 108 2HD1 LEU 108 -4.752 1.256 8.460 844 HD13 LEU 108 3HD1 LEU 108 -5.034 1.767 6.790 845 HD21 LEU 108 3HD2 LEU 108 -5.545 4.704 7.180 846 HD22 LEU 108 1HD2 LEU 108 -4.393 3.978 6.027 847 HD23 LEU 108 2HD2 LEU 108 -3.862 5.228 7.146 848 H SER 109 H SER 109 -3.651 4.485 12.432 849 HA SER 109 HA SER 109 -5.216 6.844 12.984 850 HB2 SER 109 2HB SER 109 -3.709 5.027 14.915 851 HB3 SER 109 3HB SER 109 -4.967 6.198 15.347 852 HG SER 109 HG SER 109 -5.224 3.851 13.760 853 H ASP 110 H ASP 110 -1.797 6.225 12.914 854 HA ASP 110 HA ASP 110 -0.985 8.621 14.350 855 HB2 ASP 110 2HB ASP 110 0.324 6.484 14.145 856 HB3 ASP 110 3HB ASP 110 0.564 6.843 12.433 857 H VAL 111 H VAL 111 -2.319 8.128 11.282 858 HA VAL 111 HA VAL 111 -1.127 10.603 10.087 859 HB VAL 111 HB VAL 111 -2.181 8.031 8.890 860 HG11 VAL 111 1HG1 VAL 111 -1.679 9.023 6.644 861 HG12 VAL 111 2HG1 VAL 111 -3.077 9.750 7.426 862 HG13 VAL 111 3HG1 VAL 111 -1.517 10.615 7.418 863 HG21 VAL 111 3HG2 VAL 111 0.465 9.555 8.752 864 HG22 VAL 111 1HG2 VAL 111 0.183 8.028 9.590 865 HG23 VAL 111 2HG2 VAL 111 0.119 8.092 7.825 866 H VAL 112 H VAL 112 -4.265 8.889 10.518 867 HA VAL 112 HA VAL 112 -5.595 11.536 10.278 868 HB VAL 112 HB VAL 112 -5.755 10.243 8.170 869 HG11 VAL 112 1HG1 VAL 112 -6.033 7.947 9.035 870 HG12 VAL 112 2HG1 VAL 112 -7.613 8.386 9.721 871 HG13 VAL 112 3HG1 VAL 112 -7.378 8.400 7.975 872 HG21 VAL 112 3HG2 VAL 112 -8.078 10.741 7.752 873 HG22 VAL 112 1HG2 VAL 112 -8.426 10.809 9.488 874 HG23 VAL 112 2HG2 VAL 112 -7.353 12.018 8.740 875 HA PRO 113 HA PRO 113 -7.719 10.167 14.009 876 HB2 PRO 113 2HB PRO 113 -9.833 12.125 13.119 877 HB3 PRO 113 3HB PRO 113 -9.072 11.943 14.730 878 HG2 PRO 113 2HG PRO 113 -8.325 13.966 13.093 879 HG3 PRO 113 3HG PRO 113 -7.076 13.038 13.989 880 HD2 PRO 113 2HD PRO 113 -7.972 12.681 11.111 881 HD3 PRO 113 3HD PRO 113 -6.312 12.799 11.776 882 H ASN 114 H ASN 114 -9.880 9.222 14.639 883 HA ASN 114 HA ASN 114 -11.598 8.266 12.438 884 HB2 ASN 114 2HB ASN 114 -10.030 6.449 12.679 885 HB3 ASN 114 3HB ASN 114 -10.092 6.536 14.445 886 HD21 ASN 114 1HD2 ASN 114 -12.090 5.764 11.552 887 HD22 ASN 114 2HD2 ASN 114 -13.202 4.715 12.474 888 H LEU 115 H LEU 115 -13.672 8.326 12.963 889 HA LEU 115 HA LEU 115 -14.558 8.301 15.790 890 HB2 LEU 115 2HB LEU 115 -14.328 10.662 14.817 891 HB3 LEU 115 3HB LEU 115 -15.634 10.250 13.713 892 HG LEU 115 HG LEU 115 -17.183 9.994 15.654 893 HD11 LEU 115 1HD1 LEU 115 -15.659 9.263 17.426 894 HD12 LEU 115 2HD1 LEU 115 -16.439 10.770 17.903 895 HD13 LEU 115 3HD1 LEU 115 -14.760 10.795 17.322 896 HD21 LEU 115 3HD2 LEU 115 -16.898 12.186 14.563 897 HD22 LEU 115 1HD2 LEU 115 -15.599 12.588 15.708 898 HD23 LEU 115 2HD2 LEU 115 -17.263 12.350 16.287 899 H ASN 116 H ASN 116 -14.454 6.330 13.602 900 HA ASN 116 HA ASN 116 -17.304 5.471 13.485 901 HB2 ASN 116 2HB ASN 116 -17.032 6.788 11.462 902 HB3 ASN 116 3HB ASN 116 -15.508 5.997 11.081 903 HD21 ASN 116 1HD2 ASN 116 -18.962 5.121 11.679 904 HD22 ASN 116 2HD2 ASN 116 -19.002 3.935 10.383 Start of MODEL 17 1 H1 MET 1 1H MET 1 -9.379 -14.092 0.641 2 HA MET 1 HA MET 1 -10.514 -12.435 -0.703 3 HB2 MET 1 2HB MET 1 -11.515 -13.903 -2.336 4 HB3 MET 1 3HB MET 1 -9.983 -14.533 -1.750 5 HG2 MET 1 2HG MET 1 -11.223 -16.144 -0.294 6 HG3 MET 1 3HG MET 1 -12.746 -15.533 -0.956 7 HE1 MET 1 3HE MET 1 -11.961 -18.607 -0.896 8 HE2 MET 1 1HE MET 1 -13.489 -17.978 -1.558 9 HE3 MET 1 2HE MET 1 -12.503 -19.107 -2.514 10 H THR 2 H THR 2 -12.132 -11.029 -0.763 11 HA THR 2 HA THR 2 -14.896 -11.924 -0.288 12 HB THR 2 HB THR 2 -13.955 -11.172 1.949 13 HG1 THR 2 HG1 THR 2 -15.899 -10.196 2.427 14 HG21 THR 2 3HG2 THR 2 -14.413 -8.369 0.865 15 HG22 THR 2 1HG2 THR 2 -12.796 -9.077 1.060 16 HG23 THR 2 2HG2 THR 2 -13.838 -8.845 2.473 17 H ASP 3 H ASP 3 -16.444 -10.014 -0.664 18 HA ASP 3 HA ASP 3 -15.909 -9.192 -3.418 19 HB2 ASP 3 2HB ASP 3 -18.027 -10.258 -2.618 20 HB3 ASP 3 3HB ASP 3 -18.384 -8.794 -1.702 21 H SER 4 H SER 4 -16.253 -7.075 -4.296 22 HA SER 4 HA SER 4 -14.988 -4.893 -3.036 23 HB2 SER 4 2HB SER 4 -17.027 -4.821 -5.290 24 HB3 SER 4 3HB SER 4 -15.810 -3.586 -4.916 25 HG SER 4 HG SER 4 -15.138 -4.990 -6.614 26 H GLU 5 H GLU 5 -18.320 -5.933 -2.754 27 HA GLU 5 HA GLU 5 -18.976 -3.604 -1.004 28 HB2 GLU 5 2HB GLU 5 -20.706 -5.877 -2.018 29 HB3 GLU 5 3HB GLU 5 -21.175 -4.707 -0.781 30 HG2 GLU 5 2HG GLU 5 -20.794 -2.885 -2.399 31 HG3 GLU 5 3HG GLU 5 -20.460 -4.085 -3.644 32 H LYS 6 H LYS 6 -17.408 -5.754 1.434 33 HA LYS 6 HA LYS 6 -17.649 -2.984 0.282 34 HB2 LYS 6 2HB LYS 6 -17.313 -3.829 3.175 35 HB3 LYS 6 3HB LYS 6 -17.315 -2.169 2.573 36 HG2 LYS 6 2HG LYS 6 -19.632 -2.478 1.713 37 HG3 LYS 6 3HG LYS 6 -19.658 -4.109 2.411 38 HD2 LYS 6 2HD LYS 6 -19.268 -3.156 4.669 39 HD3 LYS 6 3HD LYS 6 -19.260 -1.520 3.972 40 HE2 LYS 6 2HE LYS 6 -21.578 -1.868 3.141 41 HE3 LYS 6 3HE LYS 6 -21.586 -3.495 3.833 42 HZ1 LYS 6 3HZ LYS 6 -21.317 -2.488 6.038 43 HZ2 LYS 6 1HZ LYS 6 -22.656 -1.900 5.316 44 HZ3 LYS 6 2HZ LYS 6 -21.311 -0.982 5.399 45 H SER 7 H SER 7 -15.459 -5.300 -0.034 46 HA SER 7 HA SER 7 -13.067 -4.228 1.110 47 HB2 SER 7 2HB SER 7 -13.286 -6.533 0.305 48 HB3 SER 7 3HB SER 7 -13.338 -5.945 -1.370 49 HG SER 7 HG SER 7 -11.217 -6.535 -0.744 50 H ALA 8 H ALA 8 -12.527 -2.138 0.803 51 HA ALA 8 HA ALA 8 -12.765 -0.935 -1.821 52 HB1 ALA 8 3HB ALA 8 -11.912 0.304 0.807 53 HB2 ALA 8 1HB ALA 8 -12.347 1.162 -0.683 54 HB3 ALA 8 2HB ALA 8 -13.575 0.210 0.171 55 H THR 9 H THR 9 -10.967 -2.750 -2.381 56 HA THR 9 HA THR 9 -8.240 -1.624 -2.080 57 HB THR 9 HB THR 9 -7.468 -3.700 -3.178 58 HG1 THR 9 HG1 THR 9 -8.971 -5.406 -3.310 59 HG21 THR 9 3HG2 THR 9 -7.567 -3.511 -0.699 60 HG22 THR 9 1HG2 THR 9 -7.790 -5.170 -1.279 61 HG23 THR 9 2HG2 THR 9 -9.195 -4.232 -0.737 62 H ILE 10 H ILE 10 -6.885 -1.161 -3.789 63 HA ILE 10 HA ILE 10 -7.919 -1.251 -6.569 64 HB ILE 10 HB ILE 10 -7.038 0.959 -7.095 65 HG12 ILE 10 2HG1 ILE 10 -6.586 1.344 -4.105 66 HG13 ILE 10 3HG1 ILE 10 -5.329 1.136 -5.330 67 HG21 ILE 10 1HG2 ILE 10 -9.052 1.195 -4.831 68 HG22 ILE 10 2HG2 ILE 10 -8.854 2.270 -6.230 69 HG23 ILE 10 3HG2 ILE 10 -9.440 0.625 -6.470 70 HD11 ILE 10 3HD1 ILE 10 -6.080 3.228 -6.453 71 HD12 ILE 10 1HD1 ILE 10 -7.240 3.490 -5.124 72 HD13 ILE 10 2HD1 ILE 10 -5.504 3.473 -4.794 73 H LYS 11 H LYS 11 -6.141 -0.948 -8.187 74 HA LYS 11 HA LYS 11 -3.448 -1.773 -7.191 75 HB2 LYS 11 2HB LYS 11 -4.757 -3.697 -8.149 76 HB3 LYS 11 3HB LYS 11 -4.762 -2.863 -9.711 77 HG2 LYS 11 2HG LYS 11 -2.296 -2.944 -9.784 78 HG3 LYS 11 3HG LYS 11 -2.254 -3.617 -8.143 79 HD2 LYS 11 2HD LYS 11 -3.554 -5.605 -8.969 80 HD3 LYS 11 3HD LYS 11 -3.404 -4.967 -10.625 81 HE2 LYS 11 2HE LYS 11 -0.942 -5.038 -10.445 82 HE3 LYS 11 3HE LYS 11 -1.065 -5.526 -8.751 83 HZ1 LYS 11 3HZ LYS 11 -0.650 -7.449 -10.031 84 HZ2 LYS 11 1HZ LYS 11 -1.883 -7.158 -11.087 85 HZ3 LYS 11 2HZ LYS 11 -2.195 -7.573 -9.530 86 H VAL 12 H VAL 12 -1.724 -0.772 -8.119 87 HA VAL 12 HA VAL 12 -2.303 1.397 -10.107 88 HB VAL 12 HB VAL 12 -0.822 2.888 -8.884 89 HG11 VAL 12 1HG1 VAL 12 -2.325 3.482 -7.109 90 HG12 VAL 12 2HG1 VAL 12 -3.285 2.885 -8.474 91 HG13 VAL 12 3HG1 VAL 12 -3.025 1.852 -7.057 92 HG21 VAL 12 3HG2 VAL 12 -0.127 2.471 -6.585 93 HG22 VAL 12 1HG2 VAL 12 -0.814 0.843 -6.624 94 HG23 VAL 12 2HG2 VAL 12 0.583 1.245 -7.645 95 H THR 13 H THR 13 -0.597 2.207 -11.322 96 HA THR 13 HA THR 13 2.011 0.836 -11.395 97 HB THR 13 HB THR 13 1.956 0.716 -13.873 98 HG1 THR 13 HG1 THR 13 -0.068 0.789 -14.896 99 HG21 THR 13 3HG2 THR 13 1.437 -1.317 -12.498 100 HG22 THR 13 1HG2 THR 13 0.707 -1.327 -14.113 101 HG23 THR 13 2HG2 THR 13 -0.291 -0.959 -12.691 102 H ASP 14 H ASP 14 3.599 2.111 -12.611 103 HA ASP 14 HA ASP 14 3.809 4.582 -11.578 104 HB2 ASP 14 2HB ASP 14 5.610 3.178 -12.594 105 HB3 ASP 14 3HB ASP 14 5.088 3.696 -14.193 106 H ALA 15 H ALA 15 2.409 4.022 -14.809 107 HA ALA 15 HA ALA 15 2.305 6.824 -15.545 108 HB1 ALA 15 3HB ALA 15 2.485 4.987 -17.184 109 HB2 ALA 15 1HB ALA 15 0.883 4.382 -16.692 110 HB3 ALA 15 2HB ALA 15 1.037 5.970 -17.474 111 H SER 16 H SER 16 0.232 4.840 -13.590 112 HA SER 16 HA SER 16 -2.081 6.719 -13.864 113 HB2 SER 16 2HB SER 16 -2.061 3.822 -12.968 114 HB3 SER 16 3HB SER 16 -3.483 4.875 -13.164 115 HG SER 16 HG SER 16 -3.110 3.519 -14.996 116 H PHE 17 H PHE 17 0.215 5.462 -11.575 117 HA PHE 17 HA PHE 17 -0.837 5.670 -9.044 118 HB2 PHE 17 2HB PHE 17 1.542 5.164 -10.010 119 HB3 PHE 17 3HB PHE 17 1.837 6.878 -9.869 120 HD1 PHE 17 HD1 PHE 17 1.820 7.931 -7.533 121 HD2 PHE 17 HD2 PHE 17 1.646 3.678 -8.201 122 HE1 PHE 17 HE1 PHE 17 2.509 7.521 -5.175 123 HE2 PHE 17 HE2 PHE 17 2.404 3.280 -5.879 124 HZ PHE 17 HZ PHE 17 2.806 5.207 -4.349 125 H ALA 18 H ALA 18 0.242 8.487 -11.028 126 HA ALA 18 HA ALA 18 -0.208 10.338 -8.931 127 HB1 ALA 18 3HB ALA 18 1.323 10.768 -10.773 128 HB2 ALA 18 1HB ALA 18 -0.037 10.813 -11.927 129 HB3 ALA 18 2HB ALA 18 0.110 12.055 -10.660 130 H THR 19 H THR 19 -2.419 9.067 -11.355 131 HA THR 19 HA THR 19 -4.584 10.958 -10.624 132 HB THR 19 HB THR 19 -4.663 8.596 -12.540 133 HG1 THR 19 HG1 THR 19 -4.238 10.118 -14.140 134 HG21 THR 19 3HG2 THR 19 -6.462 9.943 -13.646 135 HG22 THR 19 1HG2 THR 19 -6.375 11.115 -12.310 136 HG23 THR 19 2HG2 THR 19 -6.904 9.444 -12.014 137 H ASP 20 H ASP 20 -3.567 7.659 -9.928 138 HA ASP 20 HA ASP 20 -6.142 6.897 -8.756 139 HB2 ASP 20 2HB ASP 20 -3.423 5.538 -8.811 140 HB3 ASP 20 3HB ASP 20 -4.861 4.842 -8.069 141 H VAL 21 H VAL 21 -2.891 7.577 -7.399 142 HA VAL 21 HA VAL 21 -4.136 7.640 -4.674 143 HB VAL 21 HB VAL 21 -1.941 6.827 -3.832 144 HG11 VAL 21 1HG1 VAL 21 -3.938 5.390 -4.097 145 HG12 VAL 21 2HG1 VAL 21 -3.432 4.982 -5.738 146 HG13 VAL 21 3HG1 VAL 21 -2.435 4.486 -4.354 147 HG21 VAL 21 3HG2 VAL 21 -1.369 6.003 -6.687 148 HG22 VAL 21 1HG2 VAL 21 -0.522 7.302 -5.803 149 HG23 VAL 21 2HG2 VAL 21 -0.429 5.629 -5.239 150 H LEU 22 H LEU 22 -1.746 9.363 -6.723 151 HA LEU 22 HA LEU 22 -1.330 11.302 -4.562 152 HB2 LEU 22 2HB LEU 22 -0.577 11.756 -7.429 153 HB3 LEU 22 3HB LEU 22 0.015 12.580 -6.004 154 HG LEU 22 HG LEU 22 0.539 9.671 -6.691 155 HD11 LEU 22 1HD1 LEU 22 2.854 10.399 -7.047 156 HD12 LEU 22 2HD1 LEU 22 2.405 12.075 -6.661 157 HD13 LEU 22 3HD1 LEU 22 1.760 11.290 -8.116 158 HD21 LEU 22 3HD2 LEU 22 1.630 11.341 -4.393 159 HD22 LEU 22 1HD2 LEU 22 2.176 9.721 -4.831 160 HD23 LEU 22 2HD2 LEU 22 0.527 9.950 -4.240 161 H SER 23 H SER 23 -3.870 10.853 -6.788 162 HA SER 23 HA SER 23 -4.797 13.655 -6.615 163 HB2 SER 23 2HB SER 23 -5.962 11.237 -7.962 164 HB3 SER 23 3HB SER 23 -6.749 12.823 -7.912 165 HG SER 23 HG SER 23 -4.117 12.349 -8.904 166 H SER 24 H SER 24 -4.824 11.171 -4.384 167 HA SER 24 HA SER 24 -7.529 11.108 -3.496 168 HB2 SER 24 2HB SER 24 -6.605 9.989 -1.565 169 HB3 SER 24 3HB SER 24 -5.881 9.343 -3.034 170 HG SER 24 HG SER 24 -3.992 10.187 -2.509 171 H ASN 25 H ASN 25 -8.497 11.989 -1.668 172 HA ASN 25 HA ASN 25 -7.131 14.249 -0.285 173 HB2 ASN 25 2HB ASN 25 -10.073 14.119 -1.024 174 HB3 ASN 25 3HB ASN 25 -9.298 15.384 -0.067 175 HD21 ASN 25 1HD2 ASN 25 -7.134 16.268 -1.307 176 HD22 ASN 25 2HD2 ASN 25 -7.532 16.744 -2.958 177 H LYS 26 H LYS 26 -7.123 11.480 0.343 178 HA LYS 26 HA LYS 26 -8.029 11.492 3.161 179 HB2 LYS 26 2HB LYS 26 -8.884 9.155 2.915 180 HB3 LYS 26 3HB LYS 26 -9.859 10.330 2.049 181 HG2 LYS 26 2HG LYS 26 -9.175 9.573 -0.059 182 HG3 LYS 26 3HG LYS 26 -7.663 8.899 0.544 183 HD2 LYS 26 2HD LYS 26 -9.119 7.137 -0.129 184 HD3 LYS 26 3HD LYS 26 -8.811 7.050 1.603 185 HE2 LYS 26 2HE LYS 26 -11.070 8.042 2.041 186 HE3 LYS 26 3HE LYS 26 -11.347 8.114 0.295 187 HZ1 LYS 26 3HZ LYS 26 -11.040 5.632 1.920 188 HZ2 LYS 26 1HZ LYS 26 -10.982 5.626 0.304 189 HZ3 LYS 26 2HZ LYS 26 -12.348 6.102 1.089 190 HA PRO 27 HA PRO 27 -4.147 9.139 3.559 191 HB2 PRO 27 2HB PRO 27 -5.560 7.097 5.206 192 HB3 PRO 27 3HB PRO 27 -4.064 8.001 5.570 193 HG2 PRO 27 2HG PRO 27 -6.433 8.623 6.770 194 HG3 PRO 27 3HG PRO 27 -5.281 9.905 6.264 195 HD2 PRO 27 2HD PRO 27 -7.758 8.933 4.825 196 HD3 PRO 27 3HD PRO 27 -7.222 10.614 5.127 197 H VAL 28 H VAL 28 -3.240 7.526 2.279 198 HA VAL 28 HA VAL 28 -4.873 5.197 1.564 199 HB VAL 28 HB VAL 28 -5.347 6.569 -0.301 200 HG11 VAL 28 1HG1 VAL 28 -2.385 6.725 -0.955 201 HG12 VAL 28 2HG1 VAL 28 -3.731 7.355 -1.921 202 HG13 VAL 28 3HG1 VAL 28 -3.384 8.071 -0.345 203 HG21 VAL 28 3HG2 VAL 28 -3.360 4.464 -1.225 204 HG22 VAL 28 1HG2 VAL 28 -4.984 4.101 -0.614 205 HG23 VAL 28 2HG2 VAL 28 -4.801 5.075 -2.067 206 H LEU 29 H LEU 29 -3.900 3.420 1.870 207 HA LEU 29 HA LEU 29 -0.991 3.262 2.417 208 HB2 LEU 29 2HB LEU 29 -3.034 2.124 3.711 209 HB3 LEU 29 3HB LEU 29 -3.071 1.040 2.374 210 HG LEU 29 HG LEU 29 -1.932 0.035 4.218 211 HD11 LEU 29 1HD1 LEU 29 -1.075 -0.420 1.862 212 HD12 LEU 29 2HD1 LEU 29 0.021 -0.804 3.190 213 HD13 LEU 29 3HD1 LEU 29 0.287 0.665 2.251 214 HD21 LEU 29 3HD2 LEU 29 0.149 2.254 4.079 215 HD22 LEU 29 1HD2 LEU 29 0.142 0.859 5.172 216 HD23 LEU 29 2HD2 LEU 29 -1.113 2.093 5.324 217 H VAL 30 H VAL 30 0.421 2.740 0.744 218 HA VAL 30 HA VAL 30 -0.639 1.055 -1.493 219 HB VAL 30 HB VAL 30 1.790 2.842 -1.708 220 HG11 VAL 30 1HG1 VAL 30 1.451 2.403 -4.115 221 HG12 VAL 30 2HG1 VAL 30 1.671 0.887 -3.242 222 HG13 VAL 30 3HG1 VAL 30 0.045 1.387 -3.757 223 HG21 VAL 30 3HG2 VAL 30 -0.144 4.337 -1.445 224 HG22 VAL 30 1HG2 VAL 30 0.416 4.340 -3.119 225 HG23 VAL 30 2HG2 VAL 30 -1.041 3.432 -2.672 226 H ASP 31 H ASP 31 0.019 -0.961 -1.417 227 HA ASP 31 HA ASP 31 2.450 -1.658 0.164 228 HB2 ASP 31 2HB ASP 31 0.280 -2.522 0.930 229 HB3 ASP 31 3HB ASP 31 0.060 -3.339 -0.611 230 H PHE 32 H PHE 32 4.189 -2.100 -0.892 231 HA PHE 32 HA PHE 32 4.196 -2.844 -3.758 232 HB2 PHE 32 2HB PHE 32 6.312 -1.888 -1.802 233 HB3 PHE 32 3HB PHE 32 6.689 -2.479 -3.407 234 HD1 PHE 32 HD1 PHE 32 4.222 0.035 -1.926 235 HD2 PHE 32 HD2 PHE 32 7.206 -0.820 -4.929 236 HE1 PHE 32 HE1 PHE 32 3.902 2.282 -2.895 237 HE2 PHE 32 HE2 PHE 32 6.915 1.464 -5.842 238 HZ PHE 32 HZ PHE 32 5.254 3.016 -4.833 239 H TRP 33 H TRP 33 4.485 -4.927 -4.381 240 HA TRP 33 HA TRP 33 5.975 -6.826 -2.681 241 HB2 TRP 33 2HB TRP 33 4.256 -8.382 -2.409 242 HB3 TRP 33 3HB TRP 33 3.661 -6.856 -1.799 243 HD1 TRP 33 HD1 TRP 33 2.983 -6.375 -5.271 244 HE1 TRP 33 HE1 TRP 33 0.700 -7.144 -5.997 245 HE3 TRP 33 HE3 TRP 33 1.891 -9.269 -1.219 246 HZ2 TRP 33 HZ2 TRP 33 -1.539 -8.604 -4.767 247 HZ3 TRP 33 HZ3 TRP 33 -0.389 -10.198 -0.928 248 HH2 TRP 33 HH2 TRP 33 -2.133 -9.801 -2.643 249 H ALA 34 H ALA 34 6.085 -9.042 -3.639 250 HA ALA 34 HA ALA 34 6.144 -9.003 -6.623 251 HB1 ALA 34 3HB ALA 34 7.926 -10.646 -6.487 252 HB2 ALA 34 1HB ALA 34 8.371 -9.217 -5.545 253 HB3 ALA 34 2HB ALA 34 7.817 -10.687 -4.715 254 H THR 35 H THR 35 5.967 -11.380 -7.473 255 HA THR 35 HA THR 35 3.276 -12.244 -6.915 256 HB THR 35 HB THR 35 3.839 -14.027 -8.607 257 HG1 THR 35 HG1 THR 35 5.847 -13.820 -9.625 258 HG21 THR 35 3HG2 THR 35 4.064 -12.500 -10.499 259 HG22 THR 35 1HG2 THR 35 4.625 -11.194 -9.435 260 HG23 THR 35 2HG2 THR 35 2.960 -11.802 -9.304 261 H TRP 36 H TRP 36 6.343 -13.326 -5.691 262 HA TRP 36 HA TRP 36 5.308 -16.014 -4.963 263 HB2 TRP 36 2HB TRP 36 7.729 -16.578 -5.029 264 HB3 TRP 36 3HB TRP 36 7.114 -15.932 -6.540 265 HD1 TRP 36 HD1 TRP 36 8.147 -13.751 -7.470 266 HE1 TRP 36 HE1 TRP 36 10.078 -12.202 -6.790 267 HE3 TRP 36 HE3 TRP 36 9.158 -15.685 -2.827 268 HZ2 TRP 36 HZ2 TRP 36 11.729 -11.744 -4.471 269 HZ3 TRP 36 HZ3 TRP 36 10.901 -14.645 -1.392 270 HH2 TRP 36 HH2 TRP 36 12.182 -12.674 -2.196 271 H CYS 37 H CYS 37 6.117 -13.123 -3.276 272 HA CYS 37 HA CYS 37 7.750 -14.319 -1.270 273 HB2 CYS 37 2HB CYS 37 7.376 -11.992 -0.156 274 HB3 CYS 37 3HB CYS 37 8.354 -12.214 -1.591 275 H GLY 38 H GLY 38 7.439 -15.230 0.593 276 HA2 GLY 38 2HA GLY 38 4.981 -16.094 1.629 277 HA3 GLY 38 3HA GLY 38 6.493 -16.000 2.535 278 HA PRO 39 HA PRO 39 4.921 -12.708 5.010 279 HB2 PRO 39 2HB PRO 39 6.598 -10.521 4.896 280 HB3 PRO 39 3HB PRO 39 6.996 -12.059 5.718 281 HG2 PRO 39 2HG PRO 39 7.769 -11.185 2.919 282 HG3 PRO 39 3HG PRO 39 8.823 -11.872 4.196 283 HD2 PRO 39 2HD PRO 39 7.825 -13.421 2.234 284 HD3 PRO 39 3HD PRO 39 7.901 -14.043 3.908 285 H CYS 40 H CYS 40 5.403 -11.747 1.632 286 HA CYS 40 HA CYS 40 3.642 -9.425 1.883 287 HB2 CYS 40 2HB CYS 40 4.099 -8.951 -0.290 288 HB3 CYS 40 3HB CYS 40 5.592 -9.658 0.283 289 H LYS 41 H LYS 41 3.237 -12.832 0.803 290 HA LYS 41 HA LYS 41 0.361 -12.446 0.312 291 HB2 LYS 41 2HB LYS 41 2.277 -14.762 0.259 292 HB3 LYS 41 3HB LYS 41 0.571 -15.106 0.502 293 HG2 LYS 41 2HG LYS 41 1.215 -15.194 -1.887 294 HG3 LYS 41 3HG LYS 41 -0.080 -14.051 -1.535 295 HD2 LYS 41 2HD LYS 41 1.559 -12.172 -1.648 296 HD3 LYS 41 3HD LYS 41 2.833 -13.332 -2.086 297 HE2 LYS 41 2HE LYS 41 1.777 -13.831 -4.170 298 HE3 LYS 41 3HE LYS 41 0.239 -13.135 -3.646 299 HZ1 LYS 41 3HZ LYS 41 2.702 -11.543 -4.185 300 HZ2 LYS 41 1HZ LYS 41 1.267 -10.940 -3.660 301 HZ3 LYS 41 2HZ LYS 41 1.370 -11.621 -5.137 302 H MET 42 H MET 42 2.265 -13.308 3.151 303 HA MET 42 HA MET 42 0.165 -14.055 4.884 304 HB2 MET 42 2HB MET 42 2.608 -14.162 5.363 305 HB3 MET 42 3HB MET 42 2.631 -12.401 5.543 306 HG2 MET 42 2HG MET 42 1.064 -12.569 7.442 307 HG3 MET 42 3HG MET 42 1.031 -14.329 7.256 308 HE1 MET 42 3HE MET 42 2.982 -13.737 10.622 309 HE2 MET 42 1HE MET 42 1.646 -12.756 9.978 310 HE3 MET 42 2HE MET 42 1.592 -14.529 9.848 311 H VAL 43 H VAL 43 1.015 -10.745 3.775 312 HA VAL 43 HA VAL 43 -0.965 -9.566 5.606 313 HB VAL 43 HB VAL 43 -0.329 -7.410 4.715 314 HG11 VAL 43 1HG1 VAL 43 1.861 -7.303 5.717 315 HG12 VAL 43 2HG1 VAL 43 0.837 -8.425 6.640 316 HG13 VAL 43 3HG1 VAL 43 2.080 -9.063 5.546 317 HG21 VAL 43 3HG2 VAL 43 0.386 -8.105 2.403 318 HG22 VAL 43 1HG2 VAL 43 1.532 -7.056 3.248 319 HG23 VAL 43 2HG2 VAL 43 1.856 -8.791 3.138 320 H ALA 44 H ALA 44 -1.336 -11.073 2.620 321 HA ALA 44 HA ALA 44 -3.127 -9.366 1.282 322 HB1 ALA 44 3HB ALA 44 -2.132 -11.366 0.288 323 HB2 ALA 44 1HB ALA 44 -3.120 -12.403 1.335 324 HB3 ALA 44 2HB ALA 44 -3.896 -11.367 0.124 325 HA PRO 45 HA PRO 45 -6.883 -11.074 3.753 326 HB2 PRO 45 2HB PRO 45 -6.484 -12.161 6.252 327 HB3 PRO 45 3HB PRO 45 -6.578 -13.120 4.745 328 HG2 PRO 45 2HG PRO 45 -4.083 -12.138 6.170 329 HG3 PRO 45 3HG PRO 45 -4.439 -13.792 5.573 330 HD2 PRO 45 2HD PRO 45 -2.947 -12.109 4.117 331 HD3 PRO 45 3HD PRO 45 -4.165 -13.133 3.313 332 H VAL 46 H VAL 46 -4.062 -9.745 5.500 333 HA VAL 46 HA VAL 46 -5.600 -8.119 7.341 334 HB VAL 46 HB VAL 46 -2.699 -7.968 6.439 335 HG11 VAL 46 1HG1 VAL 46 -4.177 -6.421 8.575 336 HG12 VAL 46 2HG1 VAL 46 -2.397 -6.578 8.535 337 HG13 VAL 46 3HG1 VAL 46 -3.242 -5.763 7.220 338 HG21 VAL 46 3HG2 VAL 46 -3.293 -10.015 7.714 339 HG22 VAL 46 1HG2 VAL 46 -2.253 -8.953 8.661 340 HG23 VAL 46 2HG2 VAL 46 -3.997 -9.010 9.000 341 H LEU 47 H LEU 47 -3.928 -7.332 4.254 342 HA LEU 47 HA LEU 47 -4.832 -4.596 4.221 343 HB2 LEU 47 2HB LEU 47 -3.767 -4.435 2.135 344 HB3 LEU 47 3HB LEU 47 -2.816 -5.540 3.090 345 HG LEU 47 HG LEU 47 -4.168 -7.386 1.803 346 HD11 LEU 47 1HD1 LEU 47 -4.661 -6.732 -0.544 347 HD12 LEU 47 2HD1 LEU 47 -4.312 -5.032 -0.149 348 HD13 LEU 47 3HD1 LEU 47 -5.715 -5.847 0.552 349 HD21 LEU 47 3HD2 LEU 47 -1.756 -7.050 1.650 350 HD22 LEU 47 1HD2 LEU 47 -1.995 -5.695 0.533 351 HD23 LEU 47 2HD2 LEU 47 -2.435 -7.365 0.046 352 H GLU 48 H GLU 48 -6.243 -7.616 2.840 353 HA GLU 48 HA GLU 48 -8.491 -6.349 1.583 354 HB2 GLU 48 2HB GLU 48 -7.831 -8.679 1.202 355 HB3 GLU 48 3HB GLU 48 -8.236 -9.104 2.866 356 HG2 GLU 48 2HG GLU 48 -10.599 -8.611 2.461 357 HG3 GLU 48 3HG GLU 48 -10.223 -7.984 0.851 358 H GLU 49 H GLU 49 -8.114 -7.643 4.947 359 HA GLU 49 HA GLU 49 -10.787 -6.991 5.655 360 HB2 GLU 49 2HB GLU 49 -8.314 -7.597 7.300 361 HB3 GLU 49 3HB GLU 49 -9.828 -7.100 8.064 362 HG2 GLU 49 2HG GLU 49 -11.050 -8.940 7.064 363 HG3 GLU 49 3HG GLU 49 -9.646 -9.455 6.143 364 H ILE 50 H ILE 50 -7.757 -5.063 6.204 365 HA ILE 50 HA ILE 50 -9.113 -2.846 7.438 366 HB ILE 50 HB ILE 50 -6.602 -3.058 5.756 367 HG12 ILE 50 2HG1 ILE 50 -6.568 -4.170 7.981 368 HG13 ILE 50 3HG1 ILE 50 -5.356 -2.930 7.793 369 HG21 ILE 50 1HG2 ILE 50 -5.942 -0.788 6.645 370 HG22 ILE 50 2HG2 ILE 50 -7.227 -0.781 5.447 371 HG23 ILE 50 3HG2 ILE 50 -7.631 -0.568 7.162 372 HD11 ILE 50 3HD1 ILE 50 -6.328 -2.840 10.032 373 HD12 ILE 50 1HD1 ILE 50 -6.710 -1.354 9.167 374 HD13 ILE 50 2HD1 ILE 50 -7.954 -2.616 9.363 375 H ALA 51 H ALA 51 -8.501 -3.555 3.948 376 HA ALA 51 HA ALA 51 -9.653 -1.122 2.983 377 HB1 ALA 51 3HB ALA 51 -8.210 -2.641 1.659 378 HB2 ALA 51 1HB ALA 51 -9.493 -3.868 1.671 379 HB3 ALA 51 2HB ALA 51 -9.749 -2.317 0.848 380 H THR 52 H THR 52 -11.161 -4.201 3.994 381 HA THR 52 HA THR 52 -13.796 -3.444 2.986 382 HB THR 52 HB THR 52 -13.006 -5.606 4.999 383 HG1 THR 52 HG1 THR 52 -11.970 -5.963 3.070 384 HG21 THR 52 3HG2 THR 52 -15.451 -5.203 4.981 385 HG22 THR 52 1HG2 THR 52 -15.056 -6.753 4.226 386 HG23 THR 52 2HG2 THR 52 -15.461 -5.358 3.207 387 H GLU 53 H GLU 53 -12.108 -3.342 6.138 388 HA GLU 53 HA GLU 53 -14.565 -2.609 7.562 389 HB2 GLU 53 2HB GLU 53 -11.717 -3.094 8.525 390 HB3 GLU 53 3HB GLU 53 -13.100 -2.737 9.558 391 HG2 GLU 53 2HG GLU 53 -14.261 -4.745 8.416 392 HG3 GLU 53 3HG GLU 53 -12.684 -5.229 7.877 393 H ARG 54 H ARG 54 -11.872 -0.795 6.297 394 HA ARG 54 HA ARG 54 -12.801 1.650 7.772 395 HB2 ARG 54 2HB ARG 54 -9.928 0.891 7.127 396 HB3 ARG 54 3HB ARG 54 -10.475 2.322 8.001 397 HG2 ARG 54 2HG ARG 54 -10.833 -0.515 9.030 398 HG3 ARG 54 3HG ARG 54 -9.525 0.578 9.474 399 HD2 ARG 54 2HD ARG 54 -11.073 2.188 10.427 400 HD3 ARG 54 3HD ARG 54 -12.467 1.265 9.890 401 HE ARG 54 HE ARG 54 -10.577 0.537 12.075 402 HH11 ARG 54 1HH1 ARG 54 -13.579 -0.292 10.413 403 HH12 ARG 54 2HH1 ARG 54 -14.129 -1.254 11.759 404 HH21 ARG 54 1HH2 ARG 54 -11.339 -0.770 13.692 405 HH22 ARG 54 2HH2 ARG 54 -12.882 -1.551 13.526 406 H ALA 55 H ALA 55 -13.419 0.697 5.002 407 HA ALA 55 HA ALA 55 -12.210 2.199 2.990 408 HB1 ALA 55 3HB ALA 55 -15.155 1.455 3.331 409 HB2 ALA 55 1HB ALA 55 -14.357 1.866 1.801 410 HB3 ALA 55 2HB ALA 55 -13.888 0.396 2.678 411 H THR 56 H THR 56 -14.521 3.384 5.399 412 HA THR 56 HA THR 56 -15.050 5.937 4.079 413 HB THR 56 HB THR 56 -16.160 6.447 6.302 414 HG1 THR 56 HG1 THR 56 -16.422 4.695 7.689 415 HG21 THR 56 3HG2 THR 56 -17.034 3.858 4.937 416 HG22 THR 56 1HG2 THR 56 -17.422 5.501 4.383 417 HG23 THR 56 2HG2 THR 56 -18.043 4.925 5.938 418 H ASP 57 H ASP 57 -12.519 4.766 6.131 419 HA ASP 57 HA ASP 57 -11.709 7.523 6.960 420 HB2 ASP 57 2HB ASP 57 -10.865 4.763 7.893 421 HB3 ASP 57 3HB ASP 57 -10.079 6.248 8.402 422 H LEU 58 H LEU 58 -10.529 4.665 5.154 423 HA LEU 58 HA LEU 58 -8.546 6.345 3.774 424 HB2 LEU 58 2HB LEU 58 -6.674 4.926 4.257 425 HB3 LEU 58 3HB LEU 58 -7.305 5.669 5.689 426 HG LEU 58 HG LEU 58 -6.383 3.326 5.833 427 HD11 LEU 58 1HD1 LEU 58 -9.171 3.718 6.905 428 HD12 LEU 58 2HD1 LEU 58 -7.700 4.393 7.625 429 HD13 LEU 58 3HD1 LEU 58 -7.924 2.636 7.560 430 HD21 LEU 58 3HD2 LEU 58 -7.499 2.271 3.919 431 HD22 LEU 58 1HD2 LEU 58 -9.075 2.453 4.744 432 HD23 LEU 58 2HD2 LEU 58 -7.816 1.433 5.441 433 H THR 59 H THR 59 -7.241 4.867 2.196 434 HA THR 59 HA THR 59 -8.914 2.690 1.007 435 HB THR 59 HB THR 59 -7.460 4.886 -0.502 436 HG1 THR 59 HG1 THR 59 -9.592 4.944 -1.477 437 HG21 THR 59 3HG2 THR 59 -8.713 2.337 -1.616 438 HG22 THR 59 1HG2 THR 59 -7.004 2.827 -1.751 439 HG23 THR 59 2HG2 THR 59 -8.247 3.753 -2.582 440 H VAL 60 H VAL 60 -7.641 0.963 0.036 441 HA VAL 60 HA VAL 60 -4.727 1.027 0.681 442 HB VAL 60 HB VAL 60 -6.475 -1.407 0.999 443 HG11 VAL 60 1HG1 VAL 60 -4.271 -2.096 0.312 444 HG12 VAL 60 2HG1 VAL 60 -3.502 -0.972 1.453 445 HG13 VAL 60 3HG1 VAL 60 -4.414 -2.364 2.052 446 HG21 VAL 60 3HG2 VAL 60 -5.175 0.328 3.127 447 HG22 VAL 60 1HG2 VAL 60 -6.915 0.084 2.862 448 HG23 VAL 60 2HG2 VAL 60 -5.920 -1.262 3.410 449 H ALA 61 H ALA 61 -3.401 0.431 -0.879 450 HA ALA 61 HA ALA 61 -4.499 -0.418 -3.502 451 HB1 ALA 61 3HB ALA 61 -4.110 2.033 -3.321 452 HB2 ALA 61 1HB ALA 61 -2.429 1.715 -2.879 453 HB3 ALA 61 2HB ALA 61 -3.009 1.275 -4.496 454 H LYS 62 H LYS 62 -3.106 -1.549 -4.887 455 HA LYS 62 HA LYS 62 -0.674 -2.798 -3.638 456 HB2 LYS 62 2HB LYS 62 -2.616 -3.846 -5.743 457 HB3 LYS 62 3HB LYS 62 -1.170 -4.689 -5.220 458 HG2 LYS 62 2HG LYS 62 -3.643 -4.051 -3.548 459 HG3 LYS 62 3HG LYS 62 -3.129 -5.621 -4.148 460 HD2 LYS 62 2HD LYS 62 -1.897 -3.995 -1.899 461 HD3 LYS 62 3HD LYS 62 -2.619 -5.609 -1.865 462 HE2 LYS 62 2HE LYS 62 -0.713 -6.201 -3.579 463 HE3 LYS 62 3HE LYS 62 0.082 -4.755 -2.955 464 HZ1 LYS 62 3HZ LYS 62 -0.001 -5.775 -0.711 465 HZ2 LYS 62 1HZ LYS 62 0.764 -6.734 -1.756 466 HZ3 LYS 62 2HZ LYS 62 -0.759 -7.105 -1.335 467 H LEU 63 H LEU 63 1.241 -2.686 -4.565 468 HA LEU 63 HA LEU 63 1.413 -2.033 -7.475 469 HB2 LEU 63 2HB LEU 63 2.136 -0.105 -6.150 470 HB3 LEU 63 3HB LEU 63 3.310 -1.084 -5.299 471 HG LEU 63 HG LEU 63 4.228 0.409 -7.037 472 HD11 LEU 63 1HD1 LEU 63 4.893 -2.361 -7.978 473 HD12 LEU 63 2HD1 LEU 63 5.337 -1.816 -6.349 474 HD13 LEU 63 3HD1 LEU 63 5.931 -0.956 -7.784 475 HD21 LEU 63 3HD2 LEU 63 2.863 -1.398 -9.060 476 HD22 LEU 63 1HD2 LEU 63 4.098 -0.203 -9.432 477 HD23 LEU 63 2HD2 LEU 63 2.548 0.326 -8.762 478 H ASP 64 H ASP 64 2.400 -3.496 -8.658 479 HA ASP 64 HA ASP 64 3.623 -5.886 -7.346 480 HB2 ASP 64 2HB ASP 64 2.429 -5.426 -10.091 481 HB3 ASP 64 3HB ASP 64 3.392 -6.846 -9.675 482 H VAL 65 H VAL 65 5.773 -5.552 -7.016 483 HA VAL 65 HA VAL 65 7.320 -3.744 -8.632 484 HB VAL 65 HB VAL 65 9.180 -4.232 -7.283 485 HG11 VAL 65 1HG1 VAL 65 8.382 -3.882 -5.036 486 HG12 VAL 65 2HG1 VAL 65 7.378 -2.976 -6.178 487 HG13 VAL 65 3HG1 VAL 65 6.768 -4.483 -5.460 488 HG21 VAL 65 3HG2 VAL 65 7.802 -6.751 -6.294 489 HG22 VAL 65 1HG2 VAL 65 9.276 -6.656 -7.272 490 HG23 VAL 65 2HG2 VAL 65 9.288 -6.056 -5.616 491 H ASP 66 H ASP 66 6.658 -7.104 -9.033 492 HA ASP 66 HA ASP 66 8.979 -7.733 -10.677 493 HB2 ASP 66 2HB ASP 66 7.771 -9.391 -9.281 494 HB3 ASP 66 3HB ASP 66 6.339 -9.195 -10.294 495 H THR 67 H THR 67 5.653 -6.631 -11.351 496 HA THR 67 HA THR 67 6.137 -6.828 -14.293 497 HB THR 67 HB THR 67 3.710 -6.602 -14.532 498 HG1 THR 67 HG1 THR 67 2.440 -6.762 -12.673 499 HG21 THR 67 3HG2 THR 67 4.735 -8.869 -14.327 500 HG22 THR 67 1HG2 THR 67 3.074 -8.804 -13.714 501 HG23 THR 67 2HG2 THR 67 4.437 -8.828 -12.575 502 H ASN 68 H ASN 68 5.599 -4.457 -11.743 503 HA ASN 68 HA ASN 68 6.203 -2.369 -13.770 504 HB2 ASN 68 2HB ASN 68 3.751 -2.379 -13.127 505 HB3 ASN 68 3HB ASN 68 4.244 -1.918 -11.494 506 HD21 ASN 68 1HD2 ASN 68 4.541 -0.959 -14.954 507 HD22 ASN 68 2HD2 ASN 68 4.707 0.753 -14.607 508 HA PRO 69 HA PRO 69 9.332 -2.235 -10.307 509 HB2 PRO 69 2HB PRO 69 11.563 -2.207 -11.912 510 HB3 PRO 69 3HB PRO 69 10.777 -3.709 -11.348 511 HG2 PRO 69 2HG PRO 69 10.379 -2.288 -14.002 512 HG3 PRO 69 3HG PRO 69 10.726 -4.026 -13.718 513 HD2 PRO 69 2HD PRO 69 8.204 -3.159 -14.126 514 HD3 PRO 69 3HD PRO 69 8.537 -4.424 -12.906 515 H GLU 70 H GLU 70 8.440 -0.404 -13.134 516 HA GLU 70 HA GLU 70 10.060 1.893 -12.899 517 HB2 GLU 70 2HB GLU 70 7.161 1.612 -13.788 518 HB3 GLU 70 3HB GLU 70 8.151 3.050 -14.038 519 HG2 GLU 70 2HG GLU 70 8.744 0.299 -15.186 520 HG3 GLU 70 3HG GLU 70 8.008 1.638 -16.055 521 H THR 71 H THR 71 6.993 1.164 -11.122 522 HA THR 71 HA THR 71 7.128 3.679 -9.633 523 HB THR 71 HB THR 71 5.687 1.251 -8.746 524 HG1 THR 71 HG1 THR 71 4.907 1.617 -10.804 525 HG21 THR 71 3HG2 THR 71 4.078 2.855 -7.813 526 HG22 THR 71 1HG2 THR 71 5.079 4.207 -8.393 527 HG23 THR 71 2HG2 THR 71 5.684 3.102 -7.137 528 H ALA 72 H ALA 72 8.348 0.360 -9.121 529 HA ALA 72 HA ALA 72 9.026 0.664 -6.350 530 HB1 ALA 72 3HB ALA 72 10.320 -1.156 -8.421 531 HB2 ALA 72 1HB ALA 72 10.335 -1.349 -6.660 532 HB3 ALA 72 2HB ALA 72 8.809 -1.513 -7.551 533 H ARG 73 H ARG 73 10.918 1.339 -9.338 534 HA ARG 73 HA ARG 73 13.112 2.523 -7.790 535 HB2 ARG 73 2HB ARG 73 14.163 3.047 -9.825 536 HB3 ARG 73 3HB ARG 73 13.493 1.425 -9.967 537 HG2 ARG 73 2HG ARG 73 11.594 2.348 -11.288 538 HG3 ARG 73 3HG ARG 73 12.299 3.970 -11.162 539 HD2 ARG 73 2HD ARG 73 14.378 3.052 -12.296 540 HD3 ARG 73 3HD ARG 73 13.520 1.527 -12.512 541 HE ARG 73 HE ARG 73 12.209 2.447 -14.205 542 HH11 ARG 73 1HH1 ARG 73 14.129 5.050 -12.819 543 HH12 ARG 73 2HH1 ARG 73 13.672 6.162 -14.078 544 HH21 ARG 73 1HH2 ARG 73 11.579 3.943 -15.685 545 HH22 ARG 73 2HH2 ARG 73 12.297 5.539 -15.679 546 H ASN 74 H ASN 74 10.088 3.795 -9.031 547 HA ASN 74 HA ASN 74 10.696 6.569 -8.922 548 HB2 ASN 74 2HB ASN 74 8.508 5.287 -9.726 549 HB3 ASN 74 3HB ASN 74 8.003 5.431 -8.071 550 HD21 ASN 74 1HD2 ASN 74 6.925 6.706 -10.581 551 HD22 ASN 74 2HD2 ASN 74 6.899 8.416 -10.151 552 H PHE 75 H PHE 75 9.437 4.399 -6.367 553 HA PHE 75 HA PHE 75 9.998 6.449 -4.289 554 HB2 PHE 75 2HB PHE 75 8.273 3.962 -4.285 555 HB3 PHE 75 3HB PHE 75 8.562 4.956 -2.862 556 HD1 PHE 75 HD2 PHE 75 7.823 7.344 -2.773 557 HD2 PHE 75 HD1 PHE 75 6.787 4.758 -6.057 558 HE1 PHE 75 HE2 PHE 75 6.129 8.993 -3.534 559 HE2 PHE 75 HE1 PHE 75 5.089 6.407 -6.821 560 HZ PHE 75 HZ PHE 75 4.774 8.534 -5.571 561 H GLN 76 H GLN 76 11.917 4.249 -5.602 562 HA GLN 76 HA GLN 76 13.663 2.974 -4.989 563 HB2 GLN 76 2HB GLN 76 14.303 5.345 -4.386 564 HB3 GLN 76 3HB GLN 76 14.011 4.925 -2.693 565 HG2 GLN 76 2HG GLN 76 15.743 3.107 -2.895 566 HG3 GLN 76 3HG GLN 76 15.989 3.553 -4.583 567 HE21 GLN 76 1HE2 GLN 76 18.274 3.596 -3.324 568 HE22 GLN 76 2HE2 GLN 76 18.736 5.216 -2.820 569 H VAL 77 H VAL 77 11.658 1.532 -4.412 570 HA VAL 77 HA VAL 77 11.798 0.490 -1.624 571 HB VAL 77 HB VAL 77 10.006 -0.277 -3.958 572 HG11 VAL 77 1HG1 VAL 77 8.761 -1.593 -2.243 573 HG12 VAL 77 2HG1 VAL 77 10.368 -2.249 -2.537 574 HG13 VAL 77 3HG1 VAL 77 10.063 -1.281 -1.076 575 HG21 VAL 77 3HG2 VAL 77 8.236 0.721 -2.503 576 HG22 VAL 77 1HG2 VAL 77 9.480 1.222 -1.345 577 HG23 VAL 77 2HG2 VAL 77 9.442 1.916 -2.981 578 H VAL 78 H VAL 78 13.213 -0.990 -1.113 579 HA VAL 78 HA VAL 78 14.655 -2.503 -3.251 580 HB VAL 78 HB VAL 78 15.552 -1.729 -0.454 581 HG11 VAL 78 1HG1 VAL 78 17.829 -2.304 -1.291 582 HG12 VAL 78 2HG1 VAL 78 16.776 -3.714 -1.215 583 HG13 VAL 78 3HG1 VAL 78 17.105 -2.942 -2.784 584 HG21 VAL 78 3HG2 VAL 78 17.047 -0.123 -1.641 585 HG22 VAL 78 1HG2 VAL 78 16.249 -0.533 -3.176 586 HG23 VAL 78 2HG2 VAL 78 15.347 0.273 -1.873 587 H SER 79 H SER 79 12.793 -3.008 -0.308 588 HA SER 79 HA SER 79 13.125 -5.966 -0.586 589 HB2 SER 79 2HB SER 79 14.270 -4.985 1.434 590 HB3 SER 79 3HB SER 79 12.670 -4.488 2.023 591 HG SER 79 HG SER 79 13.373 -6.570 2.807 592 H ILE 80 H ILE 80 11.265 -7.199 0.253 593 HA ILE 80 HA ILE 80 8.696 -5.771 0.074 594 HB ILE 80 HB ILE 80 7.769 -7.674 -1.332 595 HG12 ILE 80 2HG1 ILE 80 9.179 -8.671 -3.010 596 HG13 ILE 80 3HG1 ILE 80 10.632 -7.929 -2.351 597 HG21 ILE 80 1HG2 ILE 80 8.279 -6.453 -3.382 598 HG22 ILE 80 2HG2 ILE 80 8.057 -5.310 -2.049 599 HG23 ILE 80 3HG2 ILE 80 9.686 -5.691 -2.622 600 HD11 ILE 80 3HD1 ILE 80 8.979 -9.944 -0.787 601 HD12 ILE 80 1HD1 ILE 80 10.295 -10.403 -1.889 602 HD13 ILE 80 2HD1 ILE 80 10.651 -9.404 -0.475 603 HA PRO 81 HA PRO 81 6.443 -6.226 0.243 604 HB2 PRO 81 2HB PRO 81 4.641 -5.821 2.234 605 HB3 PRO 81 3HB PRO 81 4.659 -7.319 1.262 606 HG2 PRO 81 2HG PRO 81 5.918 -6.831 3.976 607 HG3 PRO 81 3HG PRO 81 4.863 -8.193 3.498 608 HD2 PRO 81 2HD PRO 81 7.594 -8.392 3.507 609 HD3 PRO 81 3HD PRO 81 6.611 -9.219 2.271 610 H THR 82 H THR 82 6.119 -3.967 0.447 611 HA THR 82 HA THR 82 7.158 -2.596 2.888 612 HB THR 82 HB THR 82 7.836 -1.773 0.046 613 HG1 THR 82 HG1 THR 82 9.434 -3.032 0.740 614 HG21 THR 82 3HG2 THR 82 8.206 -0.265 2.675 615 HG22 THR 82 1HG2 THR 82 7.263 0.273 1.263 616 HG23 THR 82 2HG2 THR 82 9.020 0.142 1.146 617 H LEU 83 H LEU 83 5.605 -1.491 3.775 618 HA LEU 83 HA LEU 83 3.233 -0.628 2.194 619 HB2 LEU 83 2HB LEU 83 3.722 -0.823 5.201 620 HB3 LEU 83 3HB LEU 83 2.291 -0.150 4.440 621 HG LEU 83 HG LEU 83 1.907 -2.427 3.340 622 HD11 LEU 83 1HD1 LEU 83 3.977 -3.275 5.423 623 HD12 LEU 83 2HD1 LEU 83 4.033 -3.571 3.670 624 HD13 LEU 83 3HD1 LEU 83 2.824 -4.383 4.645 625 HD21 LEU 83 3HD2 LEU 83 1.818 -2.195 6.375 626 HD22 LEU 83 1HD2 LEU 83 0.870 -3.342 5.396 627 HD23 LEU 83 2HD2 LEU 83 0.590 -1.604 5.252 628 H ILE 84 H ILE 84 3.176 1.431 1.519 629 HA ILE 84 HA ILE 84 4.575 3.513 3.108 630 HB ILE 84 HB ILE 84 5.950 2.874 1.204 631 HG12 ILE 84 2HG1 ILE 84 5.975 5.163 2.221 632 HG13 ILE 84 3HG1 ILE 84 6.698 4.959 0.638 633 HG21 ILE 84 1HG2 ILE 84 4.336 2.237 -0.456 634 HG22 ILE 84 2HG2 ILE 84 3.735 3.900 -0.588 635 HG23 ILE 84 3HG2 ILE 84 5.392 3.504 -1.093 636 HD11 ILE 84 3HD1 ILE 84 4.845 6.071 -0.454 637 HD12 ILE 84 1HD1 ILE 84 3.957 6.210 1.081 638 HD13 ILE 84 2HD1 ILE 84 5.477 7.082 0.850 639 H LEU 85 H LEU 85 3.404 5.165 3.613 640 HA LEU 85 HA LEU 85 0.528 5.098 2.826 641 HB2 LEU 85 2HB LEU 85 1.136 4.307 5.062 642 HB3 LEU 85 3HB LEU 85 1.973 5.822 5.381 643 HG LEU 85 HG LEU 85 -0.088 7.058 5.482 644 HD11 LEU 85 1HD1 LEU 85 -1.492 6.009 3.829 645 HD12 LEU 85 2HD1 LEU 85 -2.299 5.889 5.386 646 HD13 LEU 85 3HD1 LEU 85 -1.480 4.462 4.711 647 HD21 LEU 85 3HD2 LEU 85 -0.273 4.410 6.993 648 HD22 LEU 85 1HD2 LEU 85 -1.066 5.937 7.452 649 HD23 LEU 85 2HD2 LEU 85 0.699 5.800 7.482 650 H PHE 86 H PHE 86 -0.341 6.789 1.935 651 HA PHE 86 HA PHE 86 1.005 9.451 1.981 652 HB2 PHE 86 2HB PHE 86 -1.008 8.322 0.016 653 HB3 PHE 86 3HB PHE 86 -0.320 9.931 -0.046 654 HD1 PHE 86 HD2 PHE 86 0.536 6.292 -0.302 655 HD2 PHE 86 HD1 PHE 86 1.722 10.335 -1.212 656 HE1 PHE 86 HE2 PHE 86 2.365 5.437 -1.741 657 HE2 PHE 86 HE1 PHE 86 3.570 9.475 -2.623 658 HZ PHE 86 HZ PHE 86 3.894 7.023 -2.890 659 H LYS 87 H LYS 87 -0.333 11.298 2.258 660 HA LYS 87 HA LYS 87 -3.195 10.944 2.982 661 HB2 LYS 87 2HB LYS 87 -1.743 11.119 5.080 662 HB3 LYS 87 3HB LYS 87 -1.294 12.742 4.550 663 HG2 LYS 87 2HG LYS 87 -3.781 13.331 4.578 664 HG3 LYS 87 3HG LYS 87 -4.079 11.718 5.254 665 HD2 LYS 87 2HD LYS 87 -2.394 12.363 7.107 666 HD3 LYS 87 3HD LYS 87 -2.491 14.012 6.485 667 HE2 LYS 87 2HE LYS 87 -4.931 14.032 6.927 668 HE3 LYS 87 3HE LYS 87 -4.854 12.344 7.466 669 HZ1 LYS 87 3HZ LYS 87 -3.415 14.574 8.800 670 HZ2 LYS 87 1HZ LYS 87 -3.447 13.003 9.295 671 HZ3 LYS 87 2HZ LYS 87 -4.803 13.903 9.351 672 H ASP 88 H ASP 88 -4.389 12.276 1.748 673 HA ASP 88 HA ASP 88 -4.911 13.789 0.141 674 HB2 ASP 88 2HB ASP 88 -4.734 15.218 2.174 675 HB3 ASP 88 3HB ASP 88 -3.104 15.671 1.689 676 H GLY 89 H GLY 89 -3.024 11.997 -0.711 677 HA2 GLY 89 2HA GLY 89 -1.687 11.512 -2.433 678 HA3 GLY 89 3HA GLY 89 -1.927 13.137 -3.072 679 H GLN 90 H GLN 90 -0.526 12.949 0.120 680 HA GLN 90 HA GLN 90 2.194 13.372 -1.007 681 HB2 GLN 90 2HB GLN 90 0.785 14.746 1.301 682 HB3 GLN 90 3HB GLN 90 2.508 14.924 0.976 683 HG2 GLN 90 2HG GLN 90 2.181 16.172 -0.967 684 HG3 GLN 90 3HG GLN 90 0.583 15.513 -1.283 685 HE21 GLN 90 1HE2 GLN 90 -1.282 16.386 -0.234 686 HE22 GLN 90 2HE2 GLN 90 -1.179 17.911 0.630 687 HA PRO 91 HA PRO 91 3.106 9.828 1.504 688 HB2 PRO 91 2HB PRO 91 5.838 9.779 1.493 689 HB3 PRO 91 3HB PRO 91 4.833 9.405 0.059 690 HG2 PRO 91 2HG PRO 91 6.161 12.042 0.760 691 HG3 PRO 91 3HG PRO 91 6.195 11.166 -0.804 692 HD2 PRO 91 2HD PRO 91 4.455 13.211 -0.338 693 HD3 PRO 91 3HD PRO 91 3.970 11.782 -1.302 694 H VAL 92 H VAL 92 3.283 9.352 3.615 695 HA VAL 92 HA VAL 92 4.434 11.356 5.529 696 HB VAL 92 HB VAL 92 2.446 10.856 7.015 697 HG11 VAL 92 1HG1 VAL 92 1.839 12.306 4.406 698 HG12 VAL 92 2HG1 VAL 92 1.018 12.522 5.965 699 HG13 VAL 92 3HG1 VAL 92 2.717 12.991 5.789 700 HG21 VAL 92 3HG2 VAL 92 1.580 8.861 5.780 701 HG22 VAL 92 1HG2 VAL 92 0.372 10.137 6.004 702 HG23 VAL 92 2HG2 VAL 92 1.133 9.928 4.429 703 H LYS 93 H LYS 93 3.915 7.907 4.909 704 HA LYS 93 HA LYS 93 5.759 7.314 7.149 705 HB2 LYS 93 2HB LYS 93 3.023 7.124 7.628 706 HB3 LYS 93 3HB LYS 93 3.369 5.515 7.045 707 HG2 LYS 93 2HG LYS 93 4.096 4.913 9.046 708 HG3 LYS 93 3HG LYS 93 5.426 6.059 8.949 709 HD2 LYS 93 2HD LYS 93 2.620 6.670 9.990 710 HD3 LYS 93 3HD LYS 93 4.047 6.349 10.992 711 HE2 LYS 93 2HE LYS 93 5.192 8.311 9.999 712 HE3 LYS 93 3HE LYS 93 3.761 8.662 9.023 713 HZ1 LYS 93 3HZ LYS 93 2.518 9.108 11.053 714 HZ2 LYS 93 1HZ LYS 93 3.901 9.982 11.110 715 HZ3 LYS 93 2HZ LYS 93 3.738 8.610 11.998 716 H ARG 94 H ARG 94 6.879 5.337 6.938 717 HA ARG 94 HA ARG 94 6.097 3.434 4.818 718 HB2 ARG 94 2HB ARG 94 7.747 5.015 3.753 719 HB3 ARG 94 3HB ARG 94 8.940 4.532 4.961 720 HG2 ARG 94 2HG ARG 94 8.673 2.131 4.165 721 HG3 ARG 94 3HG ARG 94 7.611 2.720 2.886 722 HD2 ARG 94 2HD ARG 94 10.534 3.483 3.310 723 HD3 ARG 94 3HD ARG 94 9.921 2.310 2.136 724 HE ARG 94 HE ARG 94 8.877 5.085 1.969 725 HH11 ARG 94 1HH1 ARG 94 11.194 2.813 0.593 726 HH12 ARG 94 2HH1 ARG 94 11.291 3.744 -0.891 727 HH21 ARG 94 1HH2 ARG 94 9.169 6.207 0.047 728 HH22 ARG 94 2HH2 ARG 94 10.243 5.517 -1.158 729 H ILE 95 H ILE 95 6.179 1.424 5.589 730 HA ILE 95 HA ILE 95 8.295 0.694 7.550 731 HB ILE 95 HB ILE 95 5.534 -0.480 7.882 732 HG12 ILE 95 2HG1 ILE 95 5.304 1.998 8.328 733 HG13 ILE 95 3HG1 ILE 95 4.918 0.927 9.649 734 HG21 ILE 95 1HG2 ILE 95 8.015 -0.290 9.664 735 HG22 ILE 95 2HG2 ILE 95 6.473 -1.001 10.160 736 HG23 ILE 95 3HG2 ILE 95 7.411 -1.731 8.847 737 HD11 ILE 95 3HD1 ILE 95 7.606 2.330 9.504 738 HD12 ILE 95 1HD1 ILE 95 6.170 3.009 10.295 739 HD13 ILE 95 2HD1 ILE 95 6.873 1.496 10.883 740 H VAL 96 H VAL 96 9.265 -1.248 7.180 741 HA VAL 96 HA VAL 96 8.478 -2.765 4.745 742 HB VAL 96 HB VAL 96 10.701 -3.675 4.746 743 HG11 VAL 96 1HG1 VAL 96 11.955 -1.682 4.191 744 HG12 VAL 96 2HG1 VAL 96 10.281 -1.470 3.662 745 HG13 VAL 96 3HG1 VAL 96 10.854 -0.656 5.130 746 HG21 VAL 96 3HG2 VAL 96 12.462 -2.912 6.276 747 HG22 VAL 96 1HG2 VAL 96 11.283 -1.989 7.223 748 HG23 VAL 96 2HG2 VAL 96 11.199 -3.763 7.169 749 H GLY 97 H GLY 97 8.487 -5.086 4.708 750 HA2 GLY 97 2HA GLY 97 8.276 -7.229 5.533 751 HA3 GLY 97 3HA GLY 97 8.625 -6.663 7.163 752 H ALA 98 H ALA 98 6.790 -8.520 7.048 753 HA ALA 98 HA ALA 98 4.120 -7.764 6.436 754 HB1 ALA 98 3HB ALA 98 5.160 -9.965 8.267 755 HB2 ALA 98 1HB ALA 98 3.513 -9.858 7.610 756 HB3 ALA 98 2HB ALA 98 4.882 -10.089 6.515 757 H LYS 99 H LYS 99 2.284 -7.537 7.836 758 HA LYS 99 HA LYS 99 2.673 -6.766 10.669 759 HB2 LYS 99 2HB LYS 99 1.303 -5.012 8.565 760 HB3 LYS 99 3HB LYS 99 0.886 -4.930 10.263 761 HG2 LYS 99 2HG LYS 99 2.470 -3.377 10.448 762 HG3 LYS 99 3HG LYS 99 3.587 -4.728 10.504 763 HD2 LYS 99 2HD LYS 99 3.597 -4.419 7.828 764 HD3 LYS 99 3HD LYS 99 2.902 -2.854 8.233 765 HE2 LYS 99 2HE LYS 99 5.216 -2.487 8.085 766 HE3 LYS 99 3HE LYS 99 4.866 -2.515 9.822 767 HZ1 LYS 99 3HZ LYS 99 5.623 -4.896 9.778 768 HZ2 LYS 99 1HZ LYS 99 6.830 -3.888 9.267 769 HZ3 LYS 99 2HZ LYS 99 5.963 -4.739 8.192 770 H GLY 100 H GLY 100 0.861 -7.045 11.975 771 HA2 GLY 100 2HA GLY 100 -1.405 -8.672 10.956 772 HA3 GLY 100 3HA GLY 100 -1.081 -8.242 12.637 773 H LYS 101 H LYS 101 -3.607 -7.842 11.562 774 HA LYS 101 HA LYS 101 -4.148 -5.361 10.380 775 HB2 LYS 101 2HB LYS 101 -5.593 -7.443 10.753 776 HB3 LYS 101 3HB LYS 101 -5.903 -6.849 12.393 777 HG2 LYS 101 2HG LYS 101 -7.002 -4.853 11.503 778 HG3 LYS 101 3HG LYS 101 -6.409 -5.232 9.875 779 HD2 LYS 101 2HD LYS 101 -8.717 -5.825 9.948 780 HD3 LYS 101 3HD LYS 101 -7.740 -7.309 9.853 781 HE2 LYS 101 2HE LYS 101 -8.067 -7.761 12.213 782 HE3 LYS 101 3HE LYS 101 -8.815 -6.178 12.468 783 HZ1 LYS 101 3HZ LYS 101 -10.489 -7.951 12.253 784 HZ2 LYS 101 1HZ LYS 101 -9.942 -8.331 10.750 785 HZ3 LYS 101 2HZ LYS 101 -10.649 -6.877 11.022 786 H ALA 102 H ALA 102 -3.582 -6.020 13.760 787 HA ALA 102 HA ALA 102 -4.458 -3.441 14.752 788 HB1 ALA 102 3HB ALA 102 -2.536 -5.488 15.951 789 HB2 ALA 102 1HB ALA 102 -3.295 -4.132 16.813 790 HB3 ALA 102 2HB ALA 102 -4.302 -5.446 16.177 791 H ALA 103 H ALA 103 -1.280 -4.665 13.619 792 HA ALA 103 HA ALA 103 0.164 -2.260 14.364 793 HB1 ALA 103 3HB ALA 103 0.888 -4.587 12.539 794 HB2 ALA 103 1HB ALA 103 2.007 -3.327 13.106 795 HB3 ALA 103 2HB ALA 103 1.259 -4.438 14.269 796 H LEU 104 H LEU 104 -1.271 -3.462 11.286 797 HA LEU 104 HA LEU 104 -0.462 -1.211 9.698 798 HB2 LEU 104 2HB LEU 104 -1.313 -3.441 8.903 799 HB3 LEU 104 3HB LEU 104 -2.949 -2.914 9.288 800 HG LEU 104 HG LEU 104 -1.069 -1.440 7.366 801 HD11 LEU 104 1HD1 LEU 104 -3.314 -3.394 6.709 802 HD12 LEU 104 2HD1 LEU 104 -1.575 -3.743 6.575 803 HD13 LEU 104 3HD1 LEU 104 -2.306 -2.507 5.546 804 HD21 LEU 104 3HD2 LEU 104 -3.308 -0.591 6.435 805 HD22 LEU 104 1HD2 LEU 104 -2.734 0.109 7.936 806 HD23 LEU 104 2HD2 LEU 104 -4.014 -1.117 7.983 807 H LEU 105 H LEU 105 -3.528 -1.821 11.544 808 HA LEU 105 HA LEU 105 -4.645 0.738 11.058 809 HB2 LEU 105 2HB LEU 105 -5.852 -1.258 11.912 810 HB3 LEU 105 3HB LEU 105 -5.011 -1.101 13.455 811 HG LEU 105 HG LEU 105 -6.121 1.087 13.843 812 HD11 LEU 105 1HD1 LEU 105 -6.483 1.884 11.550 813 HD12 LEU 105 2HD1 LEU 105 -8.032 1.755 12.378 814 HD13 LEU 105 3HD1 LEU 105 -7.552 0.503 11.208 815 HD21 LEU 105 3HD2 LEU 105 -8.381 0.210 14.202 816 HD22 LEU 105 1HD2 LEU 105 -7.169 -1.010 14.621 817 HD23 LEU 105 2HD2 LEU 105 -8.057 -1.142 13.087 818 H ARG 106 H ARG 106 -2.266 -0.253 13.551 819 HA ARG 106 HA ARG 106 -2.303 2.255 14.940 820 HB2 ARG 106 2HB ARG 106 -1.448 0.225 15.984 821 HB3 ARG 106 3HB ARG 106 -0.160 0.101 14.787 822 HG2 ARG 106 2HG ARG 106 0.711 0.955 16.892 823 HG3 ARG 106 3HG ARG 106 0.876 2.161 15.625 824 HD2 ARG 106 2HD ARG 106 -1.294 3.230 16.543 825 HD3 ARG 106 3HD ARG 106 -1.169 2.096 17.884 826 HE ARG 106 HE ARG 106 0.616 3.326 18.757 827 HH11 ARG 106 1HH1 ARG 106 0.008 4.558 15.484 828 HH12 ARG 106 2HH1 ARG 106 1.093 5.914 15.774 829 HH21 ARG 106 1HH2 ARG 106 1.964 5.133 18.926 830 HH22 ARG 106 2HH2 ARG 106 2.104 6.210 17.554 831 H GLU 107 H GLU 107 -0.158 1.180 12.208 832 HA GLU 107 HA GLU 107 1.152 3.785 12.168 833 HB2 GLU 107 2HB GLU 107 2.104 3.212 10.054 834 HB3 GLU 107 3HB GLU 107 2.297 1.893 11.192 835 HG2 GLU 107 2HG GLU 107 0.522 0.674 10.128 836 HG3 GLU 107 3HG GLU 107 0.217 2.009 9.014 837 H LEU 108 H LEU 108 -1.846 2.595 10.700 838 HA LEU 108 HA LEU 108 -2.335 4.975 9.169 839 HB2 LEU 108 2HB LEU 108 -3.644 2.479 9.629 840 HB3 LEU 108 3HB LEU 108 -4.761 3.680 10.215 841 HG LEU 108 HG LEU 108 -5.299 3.147 7.971 842 HD11 LEU 108 1HD1 LEU 108 -5.533 5.533 8.565 843 HD12 LEU 108 2HD1 LEU 108 -5.203 5.305 6.839 844 HD13 LEU 108 3HD1 LEU 108 -3.914 5.865 7.909 845 HD21 LEU 108 3HD2 LEU 108 -3.149 2.261 7.205 846 HD22 LEU 108 1HD2 LEU 108 -2.479 3.897 7.150 847 HD23 LEU 108 2HD2 LEU 108 -3.801 3.443 6.060 848 H SER 109 H SER 109 -3.176 4.103 12.525 849 HA SER 109 HA SER 109 -4.462 6.576 13.208 850 HB2 SER 109 2HB SER 109 -4.621 4.426 14.477 851 HB3 SER 109 3HB SER 109 -2.946 4.652 15.014 852 HG SER 109 HG SER 109 -4.530 5.431 16.526 853 H ASP 110 H ASP 110 -1.059 5.642 12.974 854 HA ASP 110 HA ASP 110 -0.042 8.056 14.171 855 HB2 ASP 110 2HB ASP 110 1.099 5.681 13.471 856 HB3 ASP 110 3HB ASP 110 1.624 6.673 12.122 857 H VAL 111 H VAL 111 -1.879 7.873 11.473 858 HA VAL 111 HA VAL 111 -0.748 10.362 10.255 859 HB VAL 111 HB VAL 111 -1.875 7.878 8.909 860 HG11 VAL 111 1HG1 VAL 111 -1.265 10.552 7.615 861 HG12 VAL 111 2HG1 VAL 111 -1.661 9.042 6.759 862 HG13 VAL 111 3HG1 VAL 111 -2.884 9.816 7.760 863 HG21 VAL 111 3HG2 VAL 111 0.514 7.775 9.370 864 HG22 VAL 111 1HG2 VAL 111 0.309 8.097 7.649 865 HG23 VAL 111 2HG2 VAL 111 0.761 9.419 8.731 866 H VAL 112 H VAL 112 -3.688 8.484 11.011 867 HA VAL 112 HA VAL 112 -5.152 11.074 11.309 868 HB VAL 112 HB VAL 112 -7.260 9.763 10.775 869 HG11 VAL 112 1HG1 VAL 112 -7.059 10.309 8.406 870 HG12 VAL 112 2HG1 VAL 112 -6.349 11.574 9.413 871 HG13 VAL 112 3HG1 VAL 112 -5.287 10.424 8.569 872 HG21 VAL 112 3HG2 VAL 112 -6.224 7.463 10.625 873 HG22 VAL 112 1HG2 VAL 112 -7.109 7.950 9.173 874 HG23 VAL 112 2HG2 VAL 112 -5.337 8.002 9.186 875 HA PRO 113 HA PRO 113 -5.114 8.910 15.388 876 HB2 PRO 113 2HB PRO 113 -4.446 11.081 16.921 877 HB3 PRO 113 3HB PRO 113 -3.243 10.069 16.074 878 HG2 PRO 113 2HG PRO 113 -4.460 12.685 15.113 879 HG3 PRO 113 3HG PRO 113 -2.725 12.236 15.196 880 HD2 PRO 113 2HD PRO 113 -4.142 12.015 12.908 881 HD3 PRO 113 3HD PRO 113 -2.934 10.774 13.350 882 H ASN 114 H ASN 114 -6.462 9.502 17.359 883 HA ASN 114 HA ASN 114 -9.126 9.770 16.513 884 HB2 ASN 114 2HB ASN 114 -7.878 9.931 19.293 885 HB3 ASN 114 3HB ASN 114 -9.612 9.838 19.008 886 HD21 ASN 114 1HD2 ASN 114 -8.632 7.921 20.579 887 HD22 ASN 114 2HD2 ASN 114 -8.563 6.399 19.703 888 H LEU 115 H LEU 115 -7.010 12.359 17.499 889 HA LEU 115 HA LEU 115 -9.253 14.257 17.752 890 HB2 LEU 115 2HB LEU 115 -7.873 15.712 18.865 891 HB3 LEU 115 3HB LEU 115 -7.458 14.130 19.493 892 HG LEU 115 HG LEU 115 -5.827 15.783 17.502 893 HD11 LEU 115 1HD1 LEU 115 -5.822 16.640 19.815 894 HD12 LEU 115 2HD1 LEU 115 -4.239 15.995 19.356 895 HD13 LEU 115 3HD1 LEU 115 -5.310 15.045 20.411 896 HD21 LEU 115 3HD2 LEU 115 -4.028 14.113 17.879 897 HD22 LEU 115 1HD2 LEU 115 -5.417 13.429 17.040 898 HD23 LEU 115 2HD2 LEU 115 -5.173 13.092 18.777 899 H ASN 116 H ASN 116 -7.850 13.113 15.112 900 HA ASN 116 HA ASN 116 -7.065 15.465 13.619 901 HB2 ASN 116 2HB ASN 116 -6.256 13.218 13.067 902 HB3 ASN 116 3HB ASN 116 -7.902 12.654 12.786 903 HD21 ASN 116 1HD2 ASN 116 -9.121 13.945 11.060 904 HD22 ASN 116 2HD2 ASN 116 -8.197 14.247 9.581 Start of MODEL 18 1 H1 MET 1 1H MET 1 -13.035 -17.019 -8.660 2 HA MET 1 HA MET 1 -15.028 -17.481 -7.436 3 HB2 MET 1 2HB MET 1 -14.067 -20.370 -7.593 4 HB3 MET 1 3HB MET 1 -15.272 -19.783 -6.442 5 HG2 MET 1 2HG MET 1 -16.715 -19.033 -8.313 6 HG3 MET 1 3HG MET 1 -15.522 -19.629 -9.468 7 HE1 MET 1 3HE MET 1 -17.015 -21.295 -6.094 8 HE2 MET 1 1HE MET 1 -18.354 -20.492 -6.949 9 HE3 MET 1 2HE MET 1 -18.295 -22.264 -6.849 10 H THR 2 H THR 2 -14.291 -16.197 -5.894 11 HA THR 2 HA THR 2 -13.071 -15.278 -4.268 12 HB THR 2 HB THR 2 -12.801 -18.013 -3.004 13 HG1 THR 2 HG1 THR 2 -14.908 -17.772 -3.622 14 HG21 THR 2 3HG2 THR 2 -11.755 -16.255 -1.642 15 HG22 THR 2 1HG2 THR 2 -13.316 -16.651 -0.933 16 HG23 THR 2 2HG2 THR 2 -13.135 -15.174 -1.911 17 H ASP 3 H ASP 3 -11.545 -15.728 -6.555 18 HA ASP 3 HA ASP 3 -8.828 -16.455 -5.673 19 HB2 ASP 3 2HB ASP 3 -9.638 -16.987 -7.934 20 HB3 ASP 3 3HB ASP 3 -9.842 -15.269 -8.278 21 H SER 4 H SER 4 -9.241 -14.863 -3.848 22 HA SER 4 HA SER 4 -9.187 -12.906 -2.743 23 HB2 SER 4 2HB SER 4 -7.382 -11.837 -4.930 24 HB3 SER 4 3HB SER 4 -7.651 -11.120 -3.335 25 HG SER 4 HG SER 4 -6.578 -13.713 -3.846 26 H GLU 5 H GLU 5 -11.124 -13.357 -5.090 27 HA GLU 5 HA GLU 5 -11.870 -10.824 -6.142 28 HB2 GLU 5 2HB GLU 5 -13.357 -13.465 -5.900 29 HB3 GLU 5 3HB GLU 5 -13.972 -12.091 -6.818 30 HG2 GLU 5 2HG GLU 5 -12.181 -12.156 -8.349 31 HG3 GLU 5 3HG GLU 5 -11.281 -13.315 -7.379 32 H LYS 6 H LYS 6 -12.474 -12.011 -3.027 33 HA LYS 6 HA LYS 6 -14.808 -10.257 -2.505 34 HB2 LYS 6 2HB LYS 6 -13.244 -12.276 -0.866 35 HB3 LYS 6 3HB LYS 6 -14.480 -11.225 -0.151 36 HG2 LYS 6 2HG LYS 6 -16.176 -12.098 -1.722 37 HG3 LYS 6 3HG LYS 6 -14.965 -13.181 -2.438 38 HD2 LYS 6 2HD LYS 6 -14.713 -14.374 -0.302 39 HD3 LYS 6 3HD LYS 6 -15.761 -13.210 0.506 40 HE2 LYS 6 2HE LYS 6 -16.985 -15.259 0.082 41 HE3 LYS 6 3HE LYS 6 -17.687 -13.914 -0.816 42 HZ1 LYS 6 3HZ LYS 6 -15.869 -15.959 -2.015 43 HZ2 LYS 6 1HZ LYS 6 -16.618 -14.750 -2.820 44 HZ3 LYS 6 2HZ LYS 6 -17.493 -15.950 -2.156 45 H SER 7 H SER 7 -11.510 -9.745 -2.678 46 HA SER 7 HA SER 7 -11.228 -7.874 -0.447 47 HB2 SER 7 2HB SER 7 -9.316 -9.156 -1.394 48 HB3 SER 7 3HB SER 7 -9.477 -8.249 -2.909 49 HG SER 7 HG SER 7 -7.954 -7.516 -1.120 50 H ALA 8 H ALA 8 -11.175 -5.693 -0.473 51 HA ALA 8 HA ALA 8 -12.468 -4.291 -2.750 52 HB1 ALA 8 3HB ALA 8 -13.524 -4.095 -0.562 53 HB2 ALA 8 1HB ALA 8 -12.018 -3.455 0.121 54 HB3 ALA 8 2HB ALA 8 -12.905 -2.524 -1.104 55 H THR 9 H THR 9 -9.421 -5.109 -2.329 56 HA THR 9 HA THR 9 -8.077 -2.506 -2.470 57 HB THR 9 HB THR 9 -6.019 -3.808 -2.896 58 HG1 THR 9 HG1 THR 9 -7.625 -6.084 -2.403 59 HG21 THR 9 3HG2 THR 9 -7.580 -4.840 -0.501 60 HG22 THR 9 1HG2 THR 9 -6.724 -3.285 -0.603 61 HG23 THR 9 2HG2 THR 9 -5.816 -4.788 -0.710 62 H ILE 10 H ILE 10 -6.708 -1.813 -4.145 63 HA ILE 10 HA ILE 10 -7.462 -2.638 -6.922 64 HB ILE 10 HB ILE 10 -7.234 -0.274 -7.584 65 HG12 ILE 10 2HG1 ILE 10 -7.119 0.352 -4.597 66 HG13 ILE 10 3HG1 ILE 10 -5.766 0.481 -5.728 67 HG21 ILE 10 1HG2 ILE 10 -9.431 0.408 -6.836 68 HG22 ILE 10 2HG2 ILE 10 -9.439 -1.345 -7.036 69 HG23 ILE 10 3HG2 ILE 10 -9.337 -0.641 -5.407 70 HD11 ILE 10 3HD1 ILE 10 -6.692 2.667 -5.338 71 HD12 ILE 10 1HD1 ILE 10 -7.019 2.195 -7.019 72 HD13 ILE 10 2HD1 ILE 10 -8.315 2.136 -5.794 73 H LYS 11 H LYS 11 -5.860 -1.964 -8.567 74 HA LYS 11 HA LYS 11 -3.019 -2.016 -7.616 75 HB2 LYS 11 2HB LYS 11 -3.374 -4.028 -8.804 76 HB3 LYS 11 3HB LYS 11 -4.333 -3.234 -10.059 77 HG2 LYS 11 2HG LYS 11 -2.392 -2.122 -10.970 78 HG3 LYS 11 3HG LYS 11 -1.362 -2.692 -9.642 79 HD2 LYS 11 2HD LYS 11 -1.435 -4.942 -10.410 80 HD3 LYS 11 3HD LYS 11 -2.798 -4.625 -11.509 81 HE2 LYS 11 2HE LYS 11 -1.459 -3.276 -12.968 82 HE3 LYS 11 3HE LYS 11 -0.127 -3.210 -11.807 83 HZ1 LYS 11 3HZ LYS 11 0.382 -5.471 -12.188 84 HZ2 LYS 11 1HZ LYS 11 0.205 -4.817 -13.666 85 HZ3 LYS 11 2HZ LYS 11 -0.992 -5.753 -13.059 86 H VAL 12 H VAL 12 -1.625 -0.505 -8.388 87 HA VAL 12 HA VAL 12 -2.596 1.482 -10.398 88 HB VAL 12 HB VAL 12 -1.421 3.291 -9.232 89 HG11 VAL 12 1HG1 VAL 12 -3.096 3.702 -7.514 90 HG12 VAL 12 2HG1 VAL 12 -3.852 3.008 -8.959 91 HG13 VAL 12 3HG1 VAL 12 -3.580 1.999 -7.521 92 HG21 VAL 12 3HG2 VAL 12 -1.183 1.358 -6.883 93 HG22 VAL 12 1HG2 VAL 12 0.165 2.005 -7.843 94 HG23 VAL 12 2HG2 VAL 12 -0.825 3.092 -6.854 95 H THR 13 H THR 13 -0.980 2.544 -11.585 96 HA THR 13 HA THR 13 1.616 1.083 -11.927 97 HB THR 13 HB THR 13 1.546 1.692 -14.273 98 HG1 THR 13 HG1 THR 13 -0.335 2.640 -15.127 99 HG21 THR 13 3HG2 THR 13 -0.254 0.289 -15.083 100 HG22 THR 13 1HG2 THR 13 -1.136 0.437 -13.549 101 HG23 THR 13 2HG2 THR 13 0.414 -0.436 -13.611 102 H ASP 14 H ASP 14 3.370 2.547 -12.899 103 HA ASP 14 HA ASP 14 3.776 4.800 -11.272 104 HB2 ASP 14 2HB ASP 14 5.509 3.493 -12.472 105 HB3 ASP 14 3HB ASP 14 5.001 4.226 -13.993 106 H ALA 15 H ALA 15 2.076 4.654 -14.355 107 HA ALA 15 HA ALA 15 1.913 7.567 -14.687 108 HB1 ALA 15 3HB ALA 15 0.482 6.986 -16.602 109 HB2 ALA 15 1HB ALA 15 2.004 6.076 -16.637 110 HB3 ALA 15 2HB ALA 15 0.501 5.277 -16.119 111 H SER 16 H SER 16 -0.371 4.941 -13.674 112 HA SER 16 HA SER 16 -2.534 6.854 -13.285 113 HB2 SER 16 2HB SER 16 -3.830 4.942 -12.450 114 HB3 SER 16 3HB SER 16 -3.123 4.673 -14.049 115 HG SER 16 HG SER 16 -1.656 3.315 -13.221 116 H PHE 17 H PHE 17 -0.128 5.471 -11.118 117 HA PHE 17 HA PHE 17 -1.152 5.956 -8.565 118 HB2 PHE 17 2HB PHE 17 0.959 4.880 -8.961 119 HB3 PHE 17 3HB PHE 17 1.618 6.299 -9.770 120 HD1 PHE 17 HD1 PHE 17 0.830 4.756 -6.511 121 HD2 PHE 17 HD2 PHE 17 2.438 8.220 -8.516 122 HE1 PHE 17 HE1 PHE 17 1.757 5.581 -4.356 123 HE2 PHE 17 HE2 PHE 17 3.372 9.026 -6.365 124 HZ PHE 17 HZ PHE 17 2.976 7.741 -4.278 125 H ALA 18 H ALA 18 0.231 8.384 -10.825 126 HA ALA 18 HA ALA 18 0.132 10.524 -8.954 127 HB1 ALA 18 3HB ALA 18 0.157 10.573 -11.995 128 HB2 ALA 18 1HB ALA 18 0.533 11.947 -10.929 129 HB3 ALA 18 2HB ALA 18 1.587 10.520 -10.929 130 H THR 19 H THR 19 -2.381 9.221 -11.052 131 HA THR 19 HA THR 19 -4.236 11.466 -10.424 132 HB THR 19 HB THR 19 -4.701 9.016 -12.175 133 HG1 THR 19 HG1 THR 19 -4.126 10.351 -13.891 134 HG21 THR 19 3HG2 THR 19 -6.052 11.750 -12.072 135 HG22 THR 19 1HG2 THR 19 -6.793 10.181 -11.680 136 HG23 THR 19 2HG2 THR 19 -6.326 10.535 -13.342 137 H ASP 20 H ASP 20 -3.573 8.182 -9.410 138 HA ASP 20 HA ASP 20 -6.173 7.897 -8.047 139 HB2 ASP 20 2HB ASP 20 -5.090 6.017 -9.244 140 HB3 ASP 20 3HB ASP 20 -3.800 6.025 -8.042 141 H VAL 21 H VAL 21 -2.736 7.873 -7.033 142 HA VAL 21 HA VAL 21 -3.489 8.056 -4.201 143 HB VAL 21 HB VAL 21 -0.722 7.824 -5.442 144 HG11 VAL 21 1HG1 VAL 21 -0.107 6.936 -3.221 145 HG12 VAL 21 2HG1 VAL 21 -0.673 8.600 -3.108 146 HG13 VAL 21 3HG1 VAL 21 -1.746 7.267 -2.628 147 HG21 VAL 21 3HG2 VAL 21 -0.932 5.396 -4.827 148 HG22 VAL 21 1HG2 VAL 21 -2.655 5.660 -4.506 149 HG23 VAL 21 2HG2 VAL 21 -1.999 5.879 -6.140 150 H LEU 22 H LEU 22 -1.424 9.973 -6.469 151 HA LEU 22 HA LEU 22 -0.999 12.017 -4.476 152 HB2 LEU 22 2HB LEU 22 -0.516 12.291 -7.440 153 HB3 LEU 22 3HB LEU 22 0.132 13.296 -6.162 154 HG LEU 22 HG LEU 22 0.785 10.375 -6.663 155 HD11 LEU 22 1HD1 LEU 22 1.791 11.986 -8.260 156 HD12 LEU 22 2HD1 LEU 22 3.015 11.227 -7.234 157 HD13 LEU 22 3HD1 LEU 22 2.487 12.889 -6.900 158 HD21 LEU 22 3HD2 LEU 22 2.527 10.643 -4.905 159 HD22 LEU 22 1HD2 LEU 22 0.906 10.814 -4.233 160 HD23 LEU 22 2HD2 LEU 22 1.901 12.257 -4.549 161 H SER 23 H SER 23 -3.683 11.514 -6.565 162 HA SER 23 HA SER 23 -4.698 14.239 -6.477 163 HB2 SER 23 2HB SER 23 -6.006 11.590 -7.102 164 HB3 SER 23 3HB SER 23 -6.858 13.144 -7.143 165 HG SER 23 HG SER 23 -5.998 12.531 -9.183 166 H SER 24 H SER 24 -4.615 11.666 -4.076 167 HA SER 24 HA SER 24 -7.244 12.193 -2.996 168 HB2 SER 24 2HB SER 24 -5.007 10.297 -2.275 169 HB3 SER 24 3HB SER 24 -6.505 10.449 -1.362 170 HG SER 24 HG SER 24 -6.196 9.597 -4.047 171 H ASN 25 H ASN 25 -7.721 13.784 -1.688 172 HA ASN 25 HA ASN 25 -5.967 14.759 0.464 173 HB2 ASN 25 2HB ASN 25 -7.889 16.078 1.133 174 HB3 ASN 25 3HB ASN 25 -7.541 16.302 -0.573 175 HD21 ASN 25 1HD2 ASN 25 -9.967 17.126 0.339 176 HD22 ASN 25 2HD2 ASN 25 -11.212 16.027 -0.241 177 H LYS 26 H LYS 26 -8.315 12.261 -0.025 178 HA LYS 26 HA LYS 26 -8.711 11.322 2.665 179 HB2 LYS 26 2HB LYS 26 -10.064 10.786 0.630 180 HB3 LYS 26 3HB LYS 26 -8.688 9.911 -0.041 181 HG2 LYS 26 2HG LYS 26 -8.861 8.277 1.864 182 HG3 LYS 26 3HG LYS 26 -10.301 9.152 2.433 183 HD2 LYS 26 2HD LYS 26 -11.389 8.719 0.203 184 HD3 LYS 26 3HD LYS 26 -9.929 7.884 -0.323 185 HE2 LYS 26 2HE LYS 26 -11.458 6.192 0.236 186 HE3 LYS 26 3HE LYS 26 -10.251 6.211 1.511 187 HZ1 LYS 26 3HZ LYS 26 -12.538 6.028 2.343 188 HZ2 LYS 26 1HZ LYS 26 -12.942 7.469 1.692 189 HZ3 LYS 26 2HZ LYS 26 -11.855 7.413 2.916 190 HA PRO 27 HA PRO 27 -4.638 9.403 3.248 191 HB2 PRO 27 2HB PRO 27 -5.935 7.263 4.836 192 HB3 PRO 27 3HB PRO 27 -4.661 8.408 5.320 193 HG2 PRO 27 2HG PRO 27 -7.276 8.602 6.200 194 HG3 PRO 27 3HG PRO 27 -6.226 10.024 5.958 195 HD2 PRO 27 2HD PRO 27 -8.383 8.967 4.149 196 HD3 PRO 27 3HD PRO 27 -7.945 10.653 4.543 197 H VAL 28 H VAL 28 -3.514 7.837 2.125 198 HA VAL 28 HA VAL 28 -5.013 5.524 0.964 199 HB VAL 28 HB VAL 28 -2.969 7.145 -0.584 200 HG11 VAL 28 1HG1 VAL 28 -3.769 5.719 -2.487 201 HG12 VAL 28 2HG1 VAL 28 -2.960 4.777 -1.236 202 HG13 VAL 28 3HG1 VAL 28 -4.735 4.769 -1.346 203 HG21 VAL 28 3HG2 VAL 28 -5.998 7.007 -0.898 204 HG22 VAL 28 1HG2 VAL 28 -5.037 8.433 -0.456 205 HG23 VAL 28 2HG2 VAL 28 -4.879 7.738 -2.068 206 H LEU 29 H LEU 29 -4.087 3.629 1.238 207 HA LEU 29 HA LEU 29 -1.255 3.412 2.215 208 HB2 LEU 29 2HB LEU 29 -3.815 1.901 2.736 209 HB3 LEU 29 3HB LEU 29 -2.333 0.977 2.667 210 HG LEU 29 HG LEU 29 -1.334 2.289 4.473 211 HD11 LEU 29 1HD1 LEU 29 -3.999 3.766 4.566 212 HD12 LEU 29 2HD1 LEU 29 -2.408 4.464 4.189 213 HD13 LEU 29 3HD1 LEU 29 -2.732 3.840 5.812 214 HD21 LEU 29 3HD2 LEU 29 -2.767 1.475 6.282 215 HD22 LEU 29 1HD2 LEU 29 -2.728 0.282 4.968 216 HD23 LEU 29 2HD2 LEU 29 -4.144 1.330 5.171 217 H VAL 30 H VAL 30 0.178 2.679 0.717 218 HA VAL 30 HA VAL 30 -0.841 0.997 -1.548 219 HB VAL 30 HB VAL 30 1.566 2.817 -1.703 220 HG11 VAL 30 1HG1 VAL 30 1.549 0.902 -3.281 221 HG12 VAL 30 2HG1 VAL 30 -0.081 1.361 -3.824 222 HG13 VAL 30 3HG1 VAL 30 1.304 2.430 -4.130 223 HG21 VAL 30 3HG2 VAL 30 -0.405 4.258 -1.452 224 HG22 VAL 30 1HG2 VAL 30 0.188 4.298 -3.110 225 HG23 VAL 30 2HG2 VAL 30 -1.258 3.347 -2.714 226 H ASP 31 H ASP 31 -0.191 -1.065 -1.391 227 HA ASP 31 HA ASP 31 2.297 -1.691 0.116 228 HB2 ASP 31 2HB ASP 31 0.132 -2.833 0.720 229 HB3 ASP 31 3HB ASP 31 0.171 -3.620 -0.851 230 H PHE 32 H PHE 32 4.106 -1.966 -0.901 231 HA PHE 32 HA PHE 32 4.263 -2.742 -3.749 232 HB2 PHE 32 2HB PHE 32 6.306 -1.764 -1.730 233 HB3 PHE 32 3HB PHE 32 6.705 -2.304 -3.349 234 HD1 PHE 32 HD1 PHE 32 4.309 0.162 -1.697 235 HD2 PHE 32 HD2 PHE 32 7.024 -0.656 -4.951 236 HE1 PHE 32 HE1 PHE 32 3.864 2.402 -2.635 237 HE2 PHE 32 HE2 PHE 32 6.598 1.616 -5.850 238 HZ PHE 32 HZ PHE 32 5.007 3.142 -4.711 239 H TRP 33 H TRP 33 4.274 -4.874 -4.193 240 HA TRP 33 HA TRP 33 5.537 -6.838 -2.365 241 HB2 TRP 33 2HB TRP 33 3.591 -7.898 -1.753 242 HB3 TRP 33 3HB TRP 33 3.196 -6.215 -1.570 243 HD1 TRP 33 HD1 TRP 33 2.521 -6.099 -4.930 244 HE1 TRP 33 HE1 TRP 33 0.260 -7.014 -5.693 245 HE3 TRP 33 HE3 TRP 33 1.271 -8.732 -0.725 246 HZ2 TRP 33 HZ2 TRP 33 -1.810 -8.733 -4.641 247 HZ3 TRP 33 HZ3 TRP 33 -0.861 -9.977 -0.625 248 HH2 TRP 33 HH2 TRP 33 -2.414 -9.995 -2.568 249 H ALA 34 H ALA 34 5.138 -9.156 -3.129 250 HA ALA 34 HA ALA 34 4.750 -9.449 -6.042 251 HB1 ALA 34 3HB ALA 34 7.176 -10.573 -4.571 252 HB2 ALA 34 1HB ALA 34 6.755 -10.839 -6.273 253 HB3 ALA 34 2HB ALA 34 7.206 -9.218 -5.722 254 H THR 35 H THR 35 4.185 -11.632 -6.688 255 HA THR 35 HA THR 35 2.483 -12.865 -4.693 256 HB THR 35 HB THR 35 1.976 -12.481 -7.146 257 HG1 THR 35 HG1 THR 35 0.636 -14.291 -7.148 258 HG21 THR 35 3HG2 THR 35 3.296 -15.200 -7.509 259 HG22 THR 35 1HG2 THR 35 3.971 -13.663 -8.104 260 HG23 THR 35 2HG2 THR 35 2.418 -14.246 -8.719 261 H TRP 36 H TRP 36 5.698 -13.631 -5.749 262 HA TRP 36 HA TRP 36 5.641 -16.386 -4.696 263 HB2 TRP 36 2HB TRP 36 8.086 -16.274 -5.315 264 HB3 TRP 36 3HB TRP 36 6.929 -16.101 -6.617 265 HD1 TRP 36 HD1 TRP 36 7.166 -14.123 -8.166 266 HE1 TRP 36 HE1 TRP 36 8.710 -12.080 -8.346 267 HE3 TRP 36 HE3 TRP 36 9.372 -14.351 -3.531 268 HZ2 TRP 36 HZ2 TRP 36 10.460 -10.586 -6.609 269 HZ3 TRP 36 HZ3 TRP 36 10.940 -12.569 -2.811 270 HH2 TRP 36 HH2 TRP 36 11.492 -10.685 -4.333 271 H CYS 37 H CYS 37 5.758 -13.424 -3.190 272 HA CYS 37 HA CYS 37 7.929 -13.990 -1.290 273 HB2 CYS 37 2HB CYS 37 7.995 -11.849 -2.138 274 HB3 CYS 37 3HB CYS 37 6.256 -11.676 -2.141 275 H GLY 38 H GLY 38 7.644 -15.056 0.522 276 HA2 GLY 38 2HA GLY 38 5.268 -16.034 1.616 277 HA3 GLY 38 3HA GLY 38 6.795 -15.874 2.486 278 HA PRO 39 HA PRO 39 5.053 -12.614 4.945 279 HB2 PRO 39 2HB PRO 39 6.538 -10.307 4.737 280 HB3 PRO 39 3HB PRO 39 7.048 -11.773 5.617 281 HG2 PRO 39 2HG PRO 39 7.810 -10.949 2.808 282 HG3 PRO 39 3HG PRO 39 8.870 -11.550 4.116 283 HD2 PRO 39 2HD PRO 39 7.966 -13.180 2.158 284 HD3 PRO 39 3HD PRO 39 8.112 -13.770 3.838 285 H CYS 40 H CYS 40 5.420 -11.748 1.524 286 HA CYS 40 HA CYS 40 3.472 -9.624 1.502 287 HB2 CYS 40 2HB CYS 40 4.246 -11.446 -0.787 288 HB3 CYS 40 3HB CYS 40 3.433 -9.907 -0.871 289 H LYS 41 H LYS 41 3.224 -13.186 1.015 290 HA LYS 41 HA LYS 41 0.308 -13.165 0.872 291 HB2 LYS 41 2HB LYS 41 2.224 -15.403 1.639 292 HB3 LYS 41 3HB LYS 41 0.498 -15.599 1.349 293 HG2 LYS 41 2HG LYS 41 2.528 -14.654 -0.717 294 HG3 LYS 41 3HG LYS 41 1.876 -16.283 -0.581 295 HD2 LYS 41 2HD LYS 41 -0.392 -15.467 -1.112 296 HD3 LYS 41 3HD LYS 41 0.213 -13.793 -1.196 297 HE2 LYS 41 2HE LYS 41 1.795 -14.438 -2.966 298 HE3 LYS 41 3HE LYS 41 1.184 -16.093 -2.943 299 HZ1 LYS 41 3HZ LYS 41 0.221 -14.698 -4.718 300 HZ2 LYS 41 1HZ LYS 41 -0.470 -13.713 -3.614 301 HZ3 LYS 41 2HZ LYS 41 -0.947 -15.278 -3.719 302 H MET 42 H MET 42 2.551 -13.276 3.631 303 HA MET 42 HA MET 42 0.552 -13.741 5.613 304 HB2 MET 42 2HB MET 42 3.044 -13.883 5.914 305 HB3 MET 42 3HB MET 42 3.090 -12.113 5.972 306 HG2 MET 42 2HG MET 42 1.601 -12.122 7.930 307 HG3 MET 42 3HG MET 42 1.528 -13.888 7.871 308 HE1 MET 42 3HE MET 42 2.153 -13.866 10.459 309 HE2 MET 42 1HE MET 42 3.602 -13.076 11.120 310 HE3 MET 42 2HE MET 42 2.288 -12.092 10.437 311 H VAL 43 H VAL 43 1.530 -10.609 4.109 312 HA VAL 43 HA VAL 43 -0.403 -9.118 5.781 313 HB VAL 43 HB VAL 43 0.249 -7.157 4.595 314 HG11 VAL 43 1HG1 VAL 43 2.669 -8.802 5.426 315 HG12 VAL 43 2HG1 VAL 43 2.579 -7.036 5.299 316 HG13 VAL 43 3HG1 VAL 43 1.589 -7.889 6.504 317 HG21 VAL 43 3HG2 VAL 43 0.659 -8.108 2.328 318 HG22 VAL 43 1HG2 VAL 43 1.981 -7.097 2.909 319 HG23 VAL 43 2HG2 VAL 43 2.129 -8.864 2.957 320 H ALA 44 H ALA 44 -0.688 -10.919 2.852 321 HA ALA 44 HA ALA 44 -2.566 -9.493 1.407 322 HB1 ALA 44 3HB ALA 44 -3.241 -11.594 0.440 323 HB2 ALA 44 1HB ALA 44 -1.491 -11.631 0.723 324 HB3 ALA 44 2HB ALA 44 -2.583 -12.506 1.807 325 HA PRO 45 HA PRO 45 -6.282 -11.040 4.059 326 HB2 PRO 45 2HB PRO 45 -5.860 -11.844 6.652 327 HB3 PRO 45 3HB PRO 45 -5.896 -12.964 5.257 328 HG2 PRO 45 2HG PRO 45 -3.459 -11.713 6.572 329 HG3 PRO 45 3HG PRO 45 -3.739 -13.442 6.178 330 HD2 PRO 45 2HD PRO 45 -2.317 -11.893 4.528 331 HD3 PRO 45 3HD PRO 45 -3.496 -13.044 3.853 332 H VAL 46 H VAL 46 -3.498 -9.376 5.546 333 HA VAL 46 HA VAL 46 -5.106 -7.688 7.285 334 HB VAL 46 HB VAL 46 -2.207 -7.441 6.375 335 HG11 VAL 46 1HG1 VAL 46 -3.781 -5.873 8.427 336 HG12 VAL 46 2HG1 VAL 46 -1.997 -5.903 8.350 337 HG13 VAL 46 3HG1 VAL 46 -2.928 -5.246 7.006 338 HG21 VAL 46 3HG2 VAL 46 -2.644 -9.441 7.759 339 HG22 VAL 46 1HG2 VAL 46 -1.708 -8.244 8.651 340 HG23 VAL 46 2HG2 VAL 46 -3.447 -8.428 8.980 341 H LEU 47 H LEU 47 -3.505 -7.107 4.106 342 HA LEU 47 HA LEU 47 -4.666 -4.457 3.825 343 HB2 LEU 47 2HB LEU 47 -3.776 -4.497 1.572 344 HB3 LEU 47 3HB LEU 47 -2.610 -4.982 2.781 345 HG LEU 47 HG LEU 47 -3.381 -7.441 2.043 346 HD11 LEU 47 1HD1 LEU 47 -3.715 -7.602 -0.375 347 HD12 LEU 47 2HD1 LEU 47 -3.771 -5.833 -0.504 348 HD13 LEU 47 3HD1 LEU 47 -5.053 -6.718 0.357 349 HD21 LEU 47 3HD2 LEU 47 -1.469 -7.466 0.485 350 HD22 LEU 47 1HD2 LEU 47 -1.092 -6.529 1.936 351 HD23 LEU 47 2HD2 LEU 47 -1.489 -5.691 0.424 352 H GLU 48 H GLU 48 -5.767 -7.707 2.731 353 HA GLU 48 HA GLU 48 -8.135 -6.822 1.385 354 HB2 GLU 48 2HB GLU 48 -7.330 -9.124 1.298 355 HB3 GLU 48 3HB GLU 48 -7.580 -9.328 3.032 356 HG2 GLU 48 2HG GLU 48 -10.011 -9.090 2.739 357 HG3 GLU 48 3HG GLU 48 -9.790 -8.758 1.024 358 H GLU 49 H GLU 49 -7.597 -7.603 4.878 359 HA GLU 49 HA GLU 49 -10.317 -7.039 5.539 360 HB2 GLU 49 2HB GLU 49 -7.830 -7.366 7.238 361 HB3 GLU 49 3HB GLU 49 -9.372 -6.857 7.935 362 HG2 GLU 49 2HG GLU 49 -10.513 -8.829 7.118 363 HG3 GLU 49 3HG GLU 49 -9.079 -9.393 6.276 364 H ILE 50 H ILE 50 -7.380 -4.883 5.914 365 HA ILE 50 HA ILE 50 -8.934 -2.710 6.960 366 HB ILE 50 HB ILE 50 -6.433 -2.725 5.272 367 HG12 ILE 50 2HG1 ILE 50 -6.114 -3.761 7.490 368 HG13 ILE 50 3HG1 ILE 50 -5.178 -2.292 7.308 369 HG21 ILE 50 1HG2 ILE 50 -7.372 -0.503 4.993 370 HG22 ILE 50 2HG2 ILE 50 -7.648 -0.341 6.727 371 HG23 ILE 50 3HG2 ILE 50 -5.993 -0.387 6.084 372 HD11 ILE 50 3HD1 ILE 50 -6.809 -1.049 8.712 373 HD12 ILE 50 1HD1 ILE 50 -7.761 -2.544 8.906 374 HD13 ILE 50 2HD1 ILE 50 -6.111 -2.430 9.547 375 H ALA 51 H ALA 51 -8.279 -3.640 3.514 376 HA ALA 51 HA ALA 51 -9.647 -1.400 2.390 377 HB1 ALA 51 3HB ALA 51 -8.140 -3.006 1.198 378 HB2 ALA 51 1HB ALA 51 -9.422 -4.225 1.265 379 HB3 ALA 51 2HB ALA 51 -9.671 -2.712 0.360 380 H THR 52 H THR 52 -10.895 -4.548 3.596 381 HA THR 52 HA THR 52 -13.571 -4.123 2.527 382 HB THR 52 HB THR 52 -12.540 -6.132 4.568 383 HG1 THR 52 HG1 THR 52 -11.511 -6.437 2.675 384 HG21 THR 52 3HG2 THR 52 -14.480 -7.503 3.805 385 HG22 THR 52 1HG2 THR 52 -15.080 -6.111 2.876 386 HG23 THR 52 2HG2 THR 52 -14.990 -6.038 4.651 387 H GLU 53 H GLU 53 -11.924 -3.613 5.649 388 HA GLU 53 HA GLU 53 -14.460 -3.125 7.077 389 HB2 GLU 53 2HB GLU 53 -11.560 -3.120 7.995 390 HB3 GLU 53 3HB GLU 53 -12.974 -2.943 9.041 391 HG2 GLU 53 2HG GLU 53 -13.771 -5.176 8.230 392 HG3 GLU 53 3HG GLU 53 -12.273 -5.426 7.414 393 H ARG 54 H ARG 54 -11.729 -1.189 5.919 394 HA ARG 54 HA ARG 54 -12.703 1.192 7.448 395 HB2 ARG 54 2HB ARG 54 -9.884 0.754 6.481 396 HB3 ARG 54 3HB ARG 54 -10.452 1.843 7.742 397 HG2 ARG 54 2HG ARG 54 -10.275 -1.188 7.888 398 HG3 ARG 54 3HG ARG 54 -9.177 -0.049 8.642 399 HD2 ARG 54 2HD ARG 54 -10.769 0.653 10.239 400 HD3 ARG 54 3HD ARG 54 -12.124 -0.063 9.349 401 HE ARG 54 HE ARG 54 -10.626 -2.272 9.840 402 HH11 ARG 54 1HH1 ARG 54 -11.719 0.179 12.097 403 HH12 ARG 54 2HH1 ARG 54 -11.903 -0.985 13.379 404 HH21 ARG 54 1HH2 ARG 54 -11.040 -3.678 11.395 405 HH22 ARG 54 2HH2 ARG 54 -11.468 -3.133 13.008 406 H ALA 55 H ALA 55 -13.218 0.295 4.476 407 HA ALA 55 HA ALA 55 -12.054 2.003 2.657 408 HB1 ALA 55 3HB ALA 55 -13.584 0.154 2.106 409 HB2 ALA 55 1HB ALA 55 -14.960 1.084 2.740 410 HB3 ALA 55 2HB ALA 55 -14.085 1.648 1.300 411 H THR 56 H THR 56 -14.605 2.933 4.937 412 HA THR 56 HA THR 56 -15.212 5.484 3.707 413 HB THR 56 HB THR 56 -16.777 4.283 5.176 414 HG1 THR 56 HG1 THR 56 -17.106 6.449 4.913 415 HG21 THR 56 3HG2 THR 56 -15.209 3.491 6.950 416 HG22 THR 56 1HG2 THR 56 -16.603 4.369 7.592 417 HG23 THR 56 2HG2 THR 56 -15.025 5.171 7.506 418 H ASP 57 H ASP 57 -12.709 4.437 5.959 419 HA ASP 57 HA ASP 57 -11.909 7.214 6.614 420 HB2 ASP 57 2HB ASP 57 -10.868 4.498 7.505 421 HB3 ASP 57 3HB ASP 57 -10.201 6.041 8.018 422 H LEU 58 H LEU 58 -10.625 4.379 4.794 423 HA LEU 58 HA LEU 58 -8.846 6.180 3.296 424 HB2 LEU 58 2HB LEU 58 -6.789 5.261 3.874 425 HB3 LEU 58 3HB LEU 58 -7.609 5.692 5.347 426 HG LEU 58 HG LEU 58 -6.298 3.771 5.679 427 HD11 LEU 58 1HD1 LEU 58 -7.835 2.184 6.603 428 HD12 LEU 58 2HD1 LEU 58 -9.136 2.756 5.536 429 HD13 LEU 58 3HD1 LEU 58 -8.513 3.808 6.825 430 HD21 LEU 58 3HD2 LEU 58 -6.195 2.940 3.344 431 HD22 LEU 58 1HD2 LEU 58 -7.782 2.162 3.607 432 HD23 LEU 58 2HD2 LEU 58 -6.394 1.704 4.591 433 H THR 59 H THR 59 -7.606 5.170 1.595 434 HA THR 59 HA THR 59 -9.038 2.840 0.352 435 HB THR 59 HB THR 59 -7.418 5.058 -0.947 436 HG1 THR 59 HG1 THR 59 -9.465 5.574 -1.805 437 HG21 THR 59 3HG2 THR 59 -7.210 3.001 -2.290 438 HG22 THR 59 1HG2 THR 59 -8.309 4.126 -3.085 439 HG23 THR 59 2HG2 THR 59 -8.968 2.737 -2.193 440 H VAL 60 H VAL 60 -7.905 1.003 -0.165 441 HA VAL 60 HA VAL 60 -4.961 0.974 0.380 442 HB VAL 60 HB VAL 60 -6.843 -1.371 0.525 443 HG11 VAL 60 1HG1 VAL 60 -4.527 -2.028 -0.057 444 HG12 VAL 60 2HG1 VAL 60 -3.904 -1.062 1.299 445 HG13 VAL 60 3HG1 VAL 60 -4.906 -2.497 1.601 446 HG21 VAL 60 3HG2 VAL 60 -5.559 0.206 2.781 447 HG22 VAL 60 1HG2 VAL 60 -7.299 0.101 2.416 448 HG23 VAL 60 2HG2 VAL 60 -6.426 -1.334 2.958 449 H ALA 61 H ALA 61 -3.716 0.764 -1.277 450 HA ALA 61 HA ALA 61 -4.638 -0.515 -3.805 451 HB1 ALA 61 3HB ALA 61 -3.313 1.186 -4.996 452 HB2 ALA 61 1HB ALA 61 -4.549 1.954 -3.979 453 HB3 ALA 61 2HB ALA 61 -2.856 1.925 -3.448 454 H LYS 62 H LYS 62 -2.909 -1.324 -5.150 455 HA LYS 62 HA LYS 62 -0.572 -2.433 -3.631 456 HB2 LYS 62 2HB LYS 62 -2.363 -3.785 -5.676 457 HB3 LYS 62 3HB LYS 62 -0.947 -4.513 -4.908 458 HG2 LYS 62 2HG LYS 62 -1.988 -4.382 -2.699 459 HG3 LYS 62 3HG LYS 62 -3.405 -3.556 -3.356 460 HD2 LYS 62 2HD LYS 62 -2.540 -6.369 -4.076 461 HD3 LYS 62 3HD LYS 62 -3.832 -5.926 -2.945 462 HE2 LYS 62 2HE LYS 62 -4.837 -4.581 -4.946 463 HE3 LYS 62 3HE LYS 62 -3.745 -5.532 -5.960 464 HZ1 LYS 62 3HZ LYS 62 -4.822 -7.551 -4.966 465 HZ2 LYS 62 1HZ LYS 62 -5.879 -6.629 -5.811 466 HZ3 LYS 62 2HZ LYS 62 -5.885 -6.565 -4.182 467 H LEU 63 H LEU 63 1.295 -2.682 -4.612 468 HA LEU 63 HA LEU 63 1.572 -2.041 -7.492 469 HB2 LEU 63 2HB LEU 63 2.299 -0.093 -6.164 470 HB3 LEU 63 3HB LEU 63 3.465 -1.086 -5.308 471 HG LEU 63 HG LEU 63 4.371 0.350 -7.102 472 HD11 LEU 63 1HD1 LEU 63 5.510 -1.795 -6.385 473 HD12 LEU 63 2HD1 LEU 63 5.998 -1.084 -7.941 474 HD13 LEU 63 3HD1 LEU 63 4.945 -2.494 -7.916 475 HD21 LEU 63 3HD2 LEU 63 4.154 -0.207 -9.452 476 HD22 LEU 63 1HD2 LEU 63 2.561 0.156 -8.753 477 HD23 LEU 63 2HD2 LEU 63 3.053 -1.525 -9.065 478 H ASP 64 H ASP 64 2.359 -3.623 -8.535 479 HA ASP 64 HA ASP 64 3.301 -6.038 -7.119 480 HB2 ASP 64 2HB ASP 64 2.642 -7.170 -9.223 481 HB3 ASP 64 3HB ASP 64 1.343 -6.359 -8.365 482 H VAL 65 H VAL 65 5.465 -5.551 -6.729 483 HA VAL 65 HA VAL 65 7.128 -4.165 -8.529 484 HB VAL 65 HB VAL 65 8.973 -4.613 -7.115 485 HG11 VAL 65 1HG1 VAL 65 7.311 -3.100 -6.173 486 HG12 VAL 65 2HG1 VAL 65 6.507 -4.453 -5.349 487 HG13 VAL 65 3HG1 VAL 65 8.161 -3.988 -4.908 488 HG21 VAL 65 3HG2 VAL 65 8.819 -7.055 -6.799 489 HG22 VAL 65 1HG2 VAL 65 8.984 -6.214 -5.263 490 HG23 VAL 65 2HG2 VAL 65 7.398 -6.832 -5.758 491 H ASP 66 H ASP 66 6.414 -7.539 -8.560 492 HA ASP 66 HA ASP 66 8.726 -8.458 -10.049 493 HB2 ASP 66 2HB ASP 66 7.248 -9.820 -8.537 494 HB3 ASP 66 3HB ASP 66 5.959 -9.690 -9.733 495 H THR 67 H THR 67 5.625 -7.067 -10.966 496 HA THR 67 HA THR 67 6.161 -7.515 -13.880 497 HB THR 67 HB THR 67 3.521 -7.491 -13.950 498 HG1 THR 67 HG1 THR 67 2.932 -7.249 -11.856 499 HG21 THR 67 3HG2 THR 67 5.102 -9.886 -12.933 500 HG22 THR 67 1HG2 THR 67 4.933 -9.384 -14.631 501 HG23 THR 67 2HG2 THR 67 3.512 -9.935 -13.729 502 H ASN 68 H ASN 68 5.644 -5.131 -11.552 503 HA ASN 68 HA ASN 68 5.155 -3.003 -13.594 504 HB2 ASN 68 2HB ASN 68 3.080 -3.890 -12.497 505 HB3 ASN 68 3HB ASN 68 3.770 -3.479 -10.931 506 HD21 ASN 68 1HD2 ASN 68 1.616 -2.628 -10.918 507 HD22 ASN 68 2HD2 ASN 68 1.455 -0.906 -11.235 508 HA PRO 69 HA PRO 69 8.517 -2.371 -10.346 509 HB2 PRO 69 2HB PRO 69 10.816 -2.411 -11.769 510 HB3 PRO 69 3HB PRO 69 9.899 -3.910 -11.437 511 HG2 PRO 69 2HG PRO 69 9.751 -2.180 -13.942 512 HG3 PRO 69 3HG PRO 69 10.073 -3.944 -13.843 513 HD2 PRO 69 2HD PRO 69 7.562 -2.987 -14.278 514 HD3 PRO 69 3HD PRO 69 7.860 -4.419 -13.246 515 H GLU 70 H GLU 70 7.496 -0.401 -12.942 516 HA GLU 70 HA GLU 70 9.480 1.648 -12.925 517 HB2 GLU 70 2HB GLU 70 6.549 1.716 -13.725 518 HB3 GLU 70 3HB GLU 70 7.703 3.027 -14.017 519 HG2 GLU 70 2HG GLU 70 9.131 1.447 -15.303 520 HG3 GLU 70 3HG GLU 70 7.900 0.200 -15.105 521 H THR 71 H THR 71 6.426 1.410 -10.985 522 HA THR 71 HA THR 71 7.034 3.853 -9.545 523 HB THR 71 HB THR 71 5.321 1.927 -8.192 524 HG1 THR 71 HG1 THR 71 3.607 2.274 -9.640 525 HG21 THR 71 3HG2 THR 71 5.477 4.282 -7.496 526 HG22 THR 71 1HG2 THR 71 3.830 3.866 -7.990 527 HG23 THR 71 2HG2 THR 71 4.876 4.795 -9.086 528 H ALA 72 H ALA 72 7.859 0.429 -9.074 529 HA ALA 72 HA ALA 72 8.648 0.595 -6.327 530 HB1 ALA 72 3HB ALA 72 9.797 -1.498 -6.740 531 HB2 ALA 72 1HB ALA 72 8.250 -1.528 -7.605 532 HB3 ALA 72 2HB ALA 72 9.761 -1.243 -8.491 533 H ARG 73 H ARG 73 10.534 1.101 -9.348 534 HA ARG 73 HA ARG 73 12.904 1.992 -7.888 535 HB2 ARG 73 2HB ARG 73 13.873 2.492 -10.012 536 HB3 ARG 73 3HB ARG 73 13.060 0.930 -10.082 537 HG2 ARG 73 2HG ARG 73 11.104 2.083 -11.204 538 HG3 ARG 73 3HG ARG 73 12.043 3.578 -11.220 539 HD2 ARG 73 2HD ARG 73 12.230 2.571 -13.375 540 HD3 ARG 73 3HD ARG 73 13.798 2.385 -12.566 541 HE ARG 73 HE ARG 73 12.193 0.068 -12.058 542 HH11 ARG 73 1HH2 ARG 73 13.841 1.516 -14.789 543 HH12 ARG 73 2HH2 ARG 73 14.128 -0.022 -15.555 544 HH21 ARG 73 1HH1 ARG 73 12.683 -1.878 -13.051 545 HH22 ARG 73 2HH1 ARG 73 13.461 -1.883 -14.604 546 H ASN 74 H ASN 74 10.012 3.661 -8.935 547 HA ASN 74 HA ASN 74 10.978 6.342 -8.764 548 HB2 ASN 74 2HB ASN 74 8.637 5.331 -9.552 549 HB3 ASN 74 3HB ASN 74 8.183 5.559 -7.880 550 HD21 ASN 74 2HD2 ASN 74 7.142 6.918 -10.305 551 HD22 ASN 74 1HD2 ASN 74 7.404 8.628 -9.958 552 H PHE 75 H PHE 75 9.608 4.179 -6.266 553 HA PHE 75 HA PHE 75 10.441 6.027 -4.095 554 HB2 PHE 75 2HB PHE 75 8.633 3.597 -4.179 555 HB3 PHE 75 3HB PHE 75 9.108 4.392 -2.682 556 HD1 PHE 75 HD2 PHE 75 8.493 6.753 -2.207 557 HD2 PHE 75 HD1 PHE 75 6.985 4.650 -5.654 558 HE1 PHE 75 HE2 PHE 75 6.792 8.531 -2.545 559 HE2 PHE 75 HE1 PHE 75 5.284 6.433 -5.995 560 HZ PHE 75 HZ PHE 75 5.211 8.389 -4.456 561 H GLN 76 H GLN 76 12.131 3.867 -5.760 562 HA GLN 76 HA GLN 76 13.856 2.454 -5.443 563 HB2 GLN 76 2HB GLN 76 14.476 4.382 -3.183 564 HB3 GLN 76 3HB GLN 76 15.616 3.239 -3.907 565 HG2 GLN 76 2HG GLN 76 15.303 4.329 -6.127 566 HG3 GLN 76 3HG GLN 76 14.242 5.528 -5.380 567 HE21 GLN 76 1HE2 GLN 76 15.217 6.994 -3.704 568 HE22 GLN 76 2HE2 GLN 76 16.947 7.301 -3.794 569 H VAL 77 H VAL 77 11.622 1.287 -4.508 570 HA VAL 77 HA VAL 77 12.059 0.047 -1.878 571 HB VAL 77 HB VAL 77 10.001 -0.554 -4.042 572 HG11 VAL 77 1HG1 VAL 77 8.781 -1.708 -2.197 573 HG12 VAL 77 2HG1 VAL 77 10.295 -2.516 -2.586 574 HG13 VAL 77 3HG1 VAL 77 10.187 -1.487 -1.140 575 HG21 VAL 77 3HG2 VAL 77 9.713 1.701 -3.078 576 HG22 VAL 77 1HG2 VAL 77 8.437 0.623 -2.510 577 HG23 VAL 77 2HG2 VAL 77 9.794 1.021 -1.435 578 H VAL 78 H VAL 78 13.152 -1.746 -1.492 579 HA VAL 78 HA VAL 78 13.942 -3.583 -3.736 580 HB VAL 78 HB VAL 78 15.678 -2.771 -1.376 581 HG11 VAL 78 1HG1 VAL 78 16.154 -5.076 -2.125 582 HG12 VAL 78 2HG1 VAL 78 16.271 -4.518 -3.810 583 HG13 VAL 78 3HG1 VAL 78 17.462 -3.993 -2.601 584 HG21 VAL 78 3HG2 VAL 78 15.881 -2.028 -4.330 585 HG22 VAL 78 1HG2 VAL 78 15.554 -0.918 -2.980 586 HG23 VAL 78 2HG2 VAL 78 17.126 -1.704 -3.102 587 H SER 79 H SER 79 13.441 -3.356 -0.171 588 HA SER 79 HA SER 79 12.893 -6.246 0.009 589 HB2 SER 79 2HB SER 79 12.545 -5.717 2.429 590 HB3 SER 79 3HB SER 79 14.164 -5.358 1.805 591 HG SER 79 HG SER 79 13.386 -3.643 3.084 592 H ILE 80 H ILE 80 10.916 -7.073 0.791 593 HA ILE 80 HA ILE 80 8.475 -5.439 0.567 594 HB ILE 80 HB ILE 80 7.462 -7.140 -0.984 595 HG12 ILE 80 2HG1 ILE 80 10.334 -7.988 -1.549 596 HG13 ILE 80 3HG1 ILE 80 9.151 -8.947 -0.659 597 HG21 ILE 80 1HG2 ILE 80 8.303 -4.851 -1.674 598 HG22 ILE 80 2HG2 ILE 80 9.759 -5.654 -2.291 599 HG23 ILE 80 3HG2 ILE 80 8.162 -6.041 -2.967 600 HD11 ILE 80 3HD1 ILE 80 9.000 -8.145 -3.590 601 HD12 ILE 80 1HD1 ILE 80 9.225 -9.764 -2.910 602 HD13 ILE 80 2HD1 ILE 80 7.674 -8.931 -2.699 603 HA PRO 81 HA PRO 81 6.125 -6.153 0.413 604 HB2 PRO 81 2HB PRO 81 4.033 -6.071 2.108 605 HB3 PRO 81 3HB PRO 81 4.400 -7.522 1.131 606 HG2 PRO 81 2HG PRO 81 5.137 -6.966 4.019 607 HG3 PRO 81 3HG PRO 81 4.400 -8.435 3.349 608 HD2 PRO 81 2HD PRO 81 7.098 -8.218 3.790 609 HD3 PRO 81 3HD PRO 81 6.432 -9.167 2.430 610 H THR 82 H THR 82 5.932 -3.980 0.429 611 HA THR 82 HA THR 82 6.788 -2.482 2.894 612 HB THR 82 HB THR 82 7.720 -2.202 0.036 613 HG1 THR 82 HG1 THR 82 9.445 -3.033 0.902 614 HG21 THR 82 3HG2 THR 82 7.370 0.086 0.780 615 HG22 THR 82 1HG2 THR 82 9.094 -0.285 0.930 616 HG23 THR 82 2HG2 THR 82 8.061 -0.278 2.380 617 H LEU 83 H LEU 83 5.120 -1.445 3.647 618 HA LEU 83 HA LEU 83 3.033 -0.425 1.814 619 HB2 LEU 83 2HB LEU 83 2.956 -1.809 4.342 620 HB3 LEU 83 3HB LEU 83 2.281 -0.208 4.606 621 HG LEU 83 HG LEU 83 1.483 -1.880 2.232 622 HD11 LEU 83 1HD1 LEU 83 0.265 -2.032 4.995 623 HD12 LEU 83 2HD1 LEU 83 1.026 -3.346 4.069 624 HD13 LEU 83 3HD1 LEU 83 -0.506 -2.660 3.522 625 HD21 LEU 83 3HD2 LEU 83 -0.065 0.218 3.802 626 HD22 LEU 83 1HD2 LEU 83 -0.566 -0.567 2.284 627 HD23 LEU 83 2HD2 LEU 83 0.816 0.538 2.296 628 H ILE 84 H ILE 84 2.881 1.647 1.390 629 HA ILE 84 HA ILE 84 4.021 3.591 3.339 630 HB ILE 84 HB ILE 84 5.541 3.618 1.589 631 HG12 ILE 84 2HG1 ILE 84 3.706 5.993 1.083 632 HG13 ILE 84 3HG1 ILE 84 4.690 5.801 2.531 633 HG21 ILE 84 1HG2 ILE 84 3.208 3.752 -0.330 634 HG22 ILE 84 2HG2 ILE 84 4.891 4.058 -0.812 635 HG23 ILE 84 3HG2 ILE 84 4.425 2.478 -0.187 636 HD11 ILE 84 3HD1 ILE 84 5.743 6.098 -0.295 637 HD12 ILE 84 1HD1 ILE 84 5.842 7.244 1.053 638 HD13 ILE 84 2HD1 ILE 84 6.743 5.729 1.136 639 H LEU 85 H LEU 85 2.889 5.134 4.000 640 HA LEU 85 HA LEU 85 0.024 5.379 3.271 641 HB2 LEU 85 2HB LEU 85 0.327 4.880 5.550 642 HB3 LEU 85 3HB LEU 85 1.767 5.883 5.671 643 HG LEU 85 HG LEU 85 0.372 7.919 5.471 644 HD11 LEU 85 1HD1 LEU 85 -2.005 6.101 5.987 645 HD12 LEU 85 2HD1 LEU 85 -1.671 6.877 4.420 646 HD13 LEU 85 3HD1 LEU 85 -2.001 7.868 5.843 647 HD21 LEU 85 3HD2 LEU 85 1.181 6.944 7.627 648 HD22 LEU 85 1HD2 LEU 85 -0.346 6.050 7.772 649 HD23 LEU 85 2HD2 LEU 85 -0.325 7.824 7.809 650 H PHE 86 H PHE 86 -0.687 7.094 2.214 651 HA PHE 86 HA PHE 86 0.924 9.606 2.035 652 HB2 PHE 86 2HB PHE 86 -0.964 8.405 -0.019 653 HB3 PHE 86 3HB PHE 86 -0.153 9.953 -0.160 654 HD1 PHE 86 HD1 PHE 86 2.236 10.108 -0.697 655 HD2 PHE 86 HD2 PHE 86 0.260 6.296 -0.333 656 HE1 PHE 86 HE1 PHE 86 4.162 9.006 -1.814 657 HE2 PHE 86 HE2 PHE 86 2.144 5.215 -1.533 658 HZ PHE 86 HZ PHE 86 4.119 6.551 -2.228 659 H LYS 87 H LYS 87 -0.145 11.542 2.173 660 HA LYS 87 HA LYS 87 -3.079 11.662 2.527 661 HB2 LYS 87 2HB LYS 87 -1.973 11.371 4.817 662 HB3 LYS 87 3HB LYS 87 -1.112 12.878 4.529 663 HG2 LYS 87 2HG LYS 87 -2.974 13.356 5.932 664 HG3 LYS 87 3HG LYS 87 -3.348 14.049 4.348 665 HD2 LYS 87 2HD LYS 87 -4.860 12.172 3.842 666 HD3 LYS 87 3HD LYS 87 -4.304 11.316 5.282 667 HE2 LYS 87 2HE LYS 87 -6.453 12.269 5.808 668 HE3 LYS 87 3HE LYS 87 -5.224 13.150 6.713 669 HZ1 LYS 87 3HZ LYS 87 -5.345 14.896 4.983 670 HZ2 LYS 87 1HZ LYS 87 -6.792 14.689 5.694 671 HZ3 LYS 87 2HZ LYS 87 -6.521 14.067 4.190 672 H ASP 88 H ASP 88 -3.897 13.475 1.553 673 HA ASP 88 HA ASP 88 -3.955 15.225 0.117 674 HB2 ASP 88 2HB ASP 88 -3.611 16.324 2.322 675 HB3 ASP 88 3HB ASP 88 -1.891 16.464 1.955 676 H GLY 89 H GLY 89 -2.323 13.145 -0.770 677 HA2 GLY 89 2HA GLY 89 -0.951 12.590 -2.466 678 HA3 GLY 89 3HA GLY 89 -0.983 14.252 -3.044 679 H GLN 90 H GLN 90 0.268 13.652 0.206 680 HA GLN 90 HA GLN 90 3.020 13.374 -0.845 681 HB2 GLN 90 2HB GLN 90 3.910 14.807 0.920 682 HB3 GLN 90 3HB GLN 90 2.844 15.679 -0.181 683 HG2 GLN 90 2HG GLN 90 1.046 15.675 1.477 684 HG3 GLN 90 3HG GLN 90 1.990 14.645 2.560 685 HE21 GLN 90 1HE2 GLN 90 1.400 16.553 4.041 686 HE22 GLN 90 2HE2 GLN 90 2.545 17.888 4.051 687 HA PRO 91 HA PRO 91 3.192 9.882 1.804 688 HB2 PRO 91 2HB PRO 91 5.853 9.509 2.239 689 HB3 PRO 91 3HB PRO 91 5.085 9.316 0.629 690 HG2 PRO 91 2HG PRO 91 6.535 11.760 1.693 691 HG3 PRO 91 3HG PRO 91 6.794 10.910 0.134 692 HD2 PRO 91 2HD PRO 91 5.211 13.106 0.307 693 HD3 PRO 91 3HD PRO 91 4.772 11.741 -0.762 694 H VAL 92 H VAL 92 3.143 9.286 3.913 695 HA VAL 92 HA VAL 92 3.916 11.300 6.003 696 HB VAL 92 HB VAL 92 1.921 9.086 6.438 697 HG11 VAL 92 1HG1 VAL 92 1.074 10.583 8.183 698 HG12 VAL 92 2HG1 VAL 92 2.791 10.250 8.424 699 HG13 VAL 92 3HG1 VAL 92 2.281 11.810 7.740 700 HG21 VAL 92 3HG2 VAL 92 0.088 10.723 6.021 701 HG22 VAL 92 1HG2 VAL 92 1.280 11.875 5.374 702 HG23 VAL 92 2HG2 VAL 92 0.969 10.334 4.545 703 H LYS 93 H LYS 93 3.828 7.774 5.320 704 HA LYS 93 HA LYS 93 6.163 7.248 7.037 705 HB2 LYS 93 2HB LYS 93 4.099 7.447 8.534 706 HB3 LYS 93 3HB LYS 93 3.441 6.029 7.714 707 HG2 LYS 93 2HG LYS 93 5.384 4.685 8.477 708 HG3 LYS 93 3HG LYS 93 6.083 6.118 9.247 709 HD2 LYS 93 2HD LYS 93 3.429 4.802 9.973 710 HD3 LYS 93 3HD LYS 93 4.958 4.629 10.852 711 HE2 LYS 93 2HE LYS 93 4.855 7.252 11.051 712 HE3 LYS 93 3HE LYS 93 3.154 7.051 10.596 713 HZ1 LYS 93 3HZ LYS 93 3.179 6.971 12.922 714 HZ2 LYS 93 1HZ LYS 93 4.507 6.005 13.002 715 HZ3 LYS 93 2HZ LYS 93 3.101 5.361 12.498 716 H ARG 94 H ARG 94 7.116 5.233 6.624 717 HA ARG 94 HA ARG 94 5.729 3.341 4.791 718 HB2 ARG 94 2HB ARG 94 7.296 4.717 3.484 719 HB3 ARG 94 3HB ARG 94 8.638 4.195 4.509 720 HG2 ARG 94 2HG ARG 94 8.450 1.905 3.722 721 HG3 ARG 94 3HG ARG 94 6.880 2.232 2.981 722 HD2 ARG 94 2HD ARG 94 8.429 2.144 1.202 723 HD3 ARG 94 3HD ARG 94 7.993 3.839 1.404 724 HE ARG 94 HE ARG 94 10.354 3.359 2.922 725 HH11 ARG 94 1HH2 ARG 94 9.401 3.421 -0.437 726 HH12 ARG 94 2HH2 ARG 94 11.008 3.797 -1.007 727 HH21 ARG 94 1HH1 ARG 94 12.407 3.863 2.137 728 HH22 ARG 94 2HH1 ARG 94 12.646 4.042 0.421 729 H ILE 95 H ILE 95 5.872 1.256 5.246 730 HA ILE 95 HA ILE 95 7.494 0.348 7.593 731 HB ILE 95 HB ILE 95 4.622 -0.481 7.001 732 HG12 ILE 95 2HG1 ILE 95 4.323 0.802 9.335 733 HG13 ILE 95 3HG1 ILE 95 5.655 1.773 8.733 734 HG21 ILE 95 1HG2 ILE 95 6.001 -2.141 8.234 735 HG22 ILE 95 2HG2 ILE 95 6.427 -0.896 9.428 736 HG23 ILE 95 3HG2 ILE 95 4.750 -1.453 9.266 737 HD11 ILE 95 3HD1 ILE 95 3.463 2.779 8.212 738 HD12 ILE 95 1HD1 ILE 95 4.241 2.320 6.696 739 HD13 ILE 95 2HD1 ILE 95 2.953 1.304 7.371 740 H VAL 96 H VAL 96 8.846 -1.196 7.016 741 HA VAL 96 HA VAL 96 8.367 -2.901 4.627 742 HB VAL 96 HB VAL 96 10.733 -3.327 4.626 743 HG11 VAL 96 1HG1 VAL 96 9.906 -1.255 3.526 744 HG12 VAL 96 2HG1 VAL 96 10.280 -0.333 4.994 745 HG13 VAL 96 3HG1 VAL 96 11.578 -1.124 4.077 746 HG21 VAL 96 3HG2 VAL 96 12.306 -2.210 6.148 747 HG22 VAL 96 1HG2 VAL 96 10.961 -1.546 7.095 748 HG23 VAL 96 2HG2 VAL 96 11.246 -3.300 7.046 749 H GLY 97 H GLY 97 8.916 -5.193 4.673 750 HA2 GLY 97 2HA GLY 97 8.985 -7.324 5.578 751 HA3 GLY 97 3HA GLY 97 9.140 -6.648 7.203 752 H ALA 98 H ALA 98 7.522 -8.511 7.487 753 HA ALA 98 HA ALA 98 4.759 -8.010 6.681 754 HB1 ALA 98 3HB ALA 98 5.882 -9.947 8.747 755 HB2 ALA 98 1HB ALA 98 4.220 -9.938 8.120 756 HB3 ALA 98 2HB ALA 98 5.568 -10.304 7.034 757 H LYS 99 H LYS 99 3.006 -7.408 7.920 758 HA LYS 99 HA LYS 99 3.359 -6.326 10.636 759 HB2 LYS 99 2HB LYS 99 2.313 -4.195 10.156 760 HB3 LYS 99 3HB LYS 99 3.795 -4.369 9.250 761 HG2 LYS 99 2HG LYS 99 1.600 -5.295 7.571 762 HG3 LYS 99 3HG LYS 99 1.127 -3.779 8.318 763 HD2 LYS 99 2HD LYS 99 2.139 -3.318 6.186 764 HD3 LYS 99 3HD LYS 99 3.233 -2.721 7.449 765 HE2 LYS 99 2HE LYS 99 4.645 -4.691 7.243 766 HE3 LYS 99 3HE LYS 99 3.507 -5.452 6.141 767 HZ1 LYS 99 3HZ LYS 99 4.046 -3.793 4.476 768 HZ2 LYS 99 1HZ LYS 99 5.417 -4.516 5.012 769 HZ3 LYS 99 2HZ LYS 99 5.078 -3.005 5.511 770 H GLY 100 H GLY 100 1.360 -6.074 11.815 771 HA2 GLY 100 2HA GLY 100 -0.821 -7.869 10.881 772 HA3 GLY 100 3HA GLY 100 -0.509 -7.368 12.539 773 H LYS 101 H LYS 101 -3.048 -7.176 11.359 774 HA LYS 101 HA LYS 101 -3.717 -4.684 10.238 775 HB2 LYS 101 2HB LYS 101 -5.021 -6.905 10.471 776 HB3 LYS 101 3HB LYS 101 -5.469 -6.353 12.094 777 HG2 LYS 101 2HG LYS 101 -6.539 -4.337 11.094 778 HG3 LYS 101 3HG LYS 101 -5.939 -4.831 9.497 779 HD2 LYS 101 2HD LYS 101 -8.223 -5.455 9.595 780 HD3 LYS 101 3HD LYS 101 -7.244 -6.943 9.692 781 HE2 LYS 101 2HE LYS 101 -7.641 -7.161 12.052 782 HE3 LYS 101 3HE LYS 101 -8.288 -5.520 12.168 783 HZ1 LYS 101 3HZ LYS 101 -10.183 -6.232 10.812 784 HZ2 LYS 101 1HZ LYS 101 -10.067 -7.208 12.127 785 HZ3 LYS 101 2HZ LYS 101 -9.560 -7.747 10.663 786 H ALA 102 H ALA 102 -3.208 -5.489 13.622 787 HA ALA 102 HA ALA 102 -4.464 -3.098 14.690 788 HB1 ALA 102 3HB ALA 102 -2.387 -4.973 15.913 789 HB2 ALA 102 1HB ALA 102 -3.350 -3.762 16.786 790 HB3 ALA 102 2HB ALA 102 -4.155 -5.146 16.023 791 H ALA 103 H ALA 103 -1.081 -3.940 13.833 792 HA ALA 103 HA ALA 103 0.056 -1.397 14.558 793 HB1 ALA 103 3HB ALA 103 1.010 -3.521 12.585 794 HB2 ALA 103 1HB ALA 103 1.976 -2.175 13.221 795 HB3 ALA 103 2HB ALA 103 1.400 -3.442 14.320 796 H LEU 104 H LEU 104 -1.072 -2.707 11.367 797 HA LEU 104 HA LEU 104 -0.480 -0.349 9.907 798 HB2 LEU 104 2HB LEU 104 -0.916 -2.675 9.055 799 HB3 LEU 104 3HB LEU 104 -2.632 -2.423 9.358 800 HG LEU 104 HG LEU 104 -2.699 -0.632 7.681 801 HD11 LEU 104 1HD1 LEU 104 -0.480 0.354 7.847 802 HD12 LEU 104 2HD1 LEU 104 -0.695 -0.242 6.209 803 HD13 LEU 104 3HD1 LEU 104 0.287 -1.178 7.358 804 HD21 LEU 104 3HD2 LEU 104 -1.279 -3.129 6.659 805 HD22 LEU 104 1HD2 LEU 104 -2.253 -2.006 5.682 806 HD23 LEU 104 2HD2 LEU 104 -3.022 -2.960 6.954 807 H LEU 105 H LEU 105 -3.527 -1.250 11.578 808 HA LEU 105 HA LEU 105 -4.918 1.162 10.875 809 HB2 LEU 105 2HB LEU 105 -5.964 -0.998 11.552 810 HB3 LEU 105 3HB LEU 105 -5.349 -0.748 13.186 811 HG LEU 105 HG LEU 105 -6.776 1.284 13.405 812 HD11 LEU 105 1HD1 LEU 105 -7.814 0.471 10.650 813 HD12 LEU 105 2HD1 LEU 105 -6.976 1.988 11.056 814 HD13 LEU 105 3HD1 LEU 105 -8.577 1.668 11.723 815 HD21 LEU 105 3HD2 LEU 105 -8.921 0.094 13.521 816 HD22 LEU 105 1HD2 LEU 105 -7.604 -0.928 14.118 817 HD23 LEU 105 2HD2 LEU 105 -8.273 -1.208 12.495 818 H ARG 106 H ARG 106 -2.724 0.383 13.622 819 HA ARG 106 HA ARG 106 -3.056 2.892 15.017 820 HB2 ARG 106 2HB ARG 106 -1.947 1.014 16.072 821 HB3 ARG 106 3HB ARG 106 -0.734 0.958 14.810 822 HG2 ARG 106 2HG ARG 106 0.006 3.315 15.564 823 HG3 ARG 106 3HG ARG 106 -1.058 3.070 16.957 824 HD2 ARG 106 2HD ARG 106 1.198 2.449 17.567 825 HD3 ARG 106 3HD ARG 106 0.221 0.971 17.479 826 HE ARG 106 HE ARG 106 1.615 1.599 14.964 827 HH11 ARG 106 1HH2 ARG 106 2.151 -0.016 18.041 828 HH12 ARG 106 2HH2 ARG 106 3.396 -1.027 17.357 829 HH21 ARG 106 1HH1 ARG 106 3.107 0.404 14.213 830 HH22 ARG 106 2HH1 ARG 106 3.967 -0.794 15.192 831 H GLU 107 H GLU 107 -0.810 1.982 12.324 832 HA GLU 107 HA GLU 107 0.358 4.604 12.122 833 HB2 GLU 107 2HB GLU 107 -0.122 2.830 9.707 834 HB3 GLU 107 3HB GLU 107 1.137 4.022 9.958 835 HG2 GLU 107 2HG GLU 107 0.891 1.273 11.014 836 HG3 GLU 107 3HG GLU 107 2.200 1.960 10.116 837 H LEU 108 H LEU 108 -2.582 3.247 10.648 838 HA LEU 108 HA LEU 108 -3.233 5.611 9.198 839 HB2 LEU 108 2HB LEU 108 -4.064 3.225 8.897 840 HB3 LEU 108 3HB LEU 108 -5.100 3.452 10.284 841 HG LEU 108 HG LEU 108 -6.055 3.671 7.932 842 HD11 LEU 108 1HD1 LEU 108 -7.328 4.285 9.935 843 HD12 LEU 108 2HD1 LEU 108 -7.709 5.323 8.554 844 HD13 LEU 108 3HD1 LEU 108 -6.681 5.938 9.850 845 HD21 LEU 108 3HD2 LEU 108 -4.356 5.245 7.005 846 HD22 LEU 108 1HD2 LEU 108 -4.962 6.509 8.106 847 HD23 LEU 108 2HD2 LEU 108 -6.013 5.856 6.862 848 H SER 109 H SER 109 -4.087 4.611 12.519 849 HA SER 109 HA SER 109 -5.724 6.875 13.173 850 HB2 SER 109 2HB SER 109 -5.573 4.685 14.408 851 HB3 SER 109 3HB SER 109 -3.996 5.200 15.033 852 HG SER 109 HG SER 109 -5.749 5.674 16.468 853 H ASP 110 H ASP 110 -2.220 6.435 13.033 854 HA ASP 110 HA ASP 110 -1.561 8.843 14.455 855 HB2 ASP 110 2HB ASP 110 -0.162 6.750 14.192 856 HB3 ASP 110 3HB ASP 110 0.178 7.261 12.540 857 H VAL 111 H VAL 111 -2.965 8.591 11.411 858 HA VAL 111 HA VAL 111 -1.667 10.755 9.986 859 HB VAL 111 HB VAL 111 -4.433 9.542 9.748 860 HG11 VAL 111 1HG1 VAL 111 -3.078 11.469 7.835 861 HG12 VAL 111 2HG1 VAL 111 -4.484 10.456 7.445 862 HG13 VAL 111 3HG1 VAL 111 -4.636 11.676 8.690 863 HG21 VAL 111 3HG2 VAL 111 -3.511 8.371 7.795 864 HG22 VAL 111 1HG2 VAL 111 -1.976 9.242 7.973 865 HG23 VAL 111 2HG2 VAL 111 -2.468 8.028 9.177 866 H VAL 112 H VAL 112 -2.448 12.802 9.609 867 HA VAL 112 HA VAL 112 -4.065 14.091 11.754 868 HB VAL 112 HB VAL 112 -1.768 14.905 11.585 869 HG11 VAL 112 1HG1 VAL 112 -2.474 16.017 8.841 870 HG12 VAL 112 2HG1 VAL 112 -0.973 16.261 9.747 871 HG13 VAL 112 3HG1 VAL 112 -1.375 14.652 9.138 872 HG21 VAL 112 3HG2 VAL 112 -3.492 16.397 12.436 873 HG22 VAL 112 1HG2 VAL 112 -2.268 17.302 11.538 874 HG23 VAL 112 2HG2 VAL 112 -3.841 16.979 10.789 875 HA PRO 113 HA PRO 113 -7.206 14.125 8.686 876 HB2 PRO 113 2HB PRO 113 -8.964 16.052 9.622 877 HB3 PRO 113 3HB PRO 113 -8.789 14.403 10.296 878 HG2 PRO 113 2HG PRO 113 -7.509 16.968 11.280 879 HG3 PRO 113 3HG PRO 113 -8.342 15.704 12.239 880 HD2 PRO 113 2HD PRO 113 -5.655 15.769 12.067 881 HD3 PRO 113 3HD PRO 113 -6.518 14.204 12.007 882 H ASN 114 H ASN 114 -5.822 17.321 9.447 883 HA ASN 114 HA ASN 114 -5.848 17.993 6.576 884 HB2 ASN 114 2HB ASN 114 -6.548 20.293 7.021 885 HB3 ASN 114 3HB ASN 114 -7.796 19.141 7.421 886 HD21 ASN 114 1HD2 ASN 114 -6.401 21.974 8.485 887 HD22 ASN 114 2HD2 ASN 114 -6.749 21.784 10.202 888 H LEU 115 H LEU 115 -4.135 18.967 5.865 889 HA LEU 115 HA LEU 115 -1.746 19.197 7.557 890 HB2 LEU 115 2HB LEU 115 -2.342 19.379 4.576 891 HB3 LEU 115 3HB LEU 115 -0.796 19.843 5.222 892 HG LEU 115 HG LEU 115 -0.665 17.639 4.313 893 HD11 LEU 115 1HD1 LEU 115 -0.516 17.401 7.343 894 HD12 LEU 115 2HD1 LEU 115 0.722 18.152 6.314 895 HD13 LEU 115 3HD1 LEU 115 0.347 16.426 6.149 896 HD21 LEU 115 3HD2 LEU 115 -3.016 16.910 4.652 897 HD22 LEU 115 1HD2 LEU 115 -2.658 16.651 6.381 898 HD23 LEU 115 2HD2 LEU 115 -1.806 15.709 5.145 899 H ASN 116 H ASN 116 -4.158 21.369 6.523 900 HA ASN 116 HA ASN 116 -2.616 23.745 7.426 901 HB2 ASN 116 2HB ASN 116 -2.480 23.716 4.965 902 HB3 ASN 116 3HB ASN 116 -4.224 23.504 4.838 903 HD21 ASN 116 1HD2 ASN 116 -5.616 25.310 5.488 904 HD22 ASN 116 2HD2 ASN 116 -4.960 26.943 5.425 Start of MODEL 19 1 H1 MET 1 1H MET 1 -12.664 -6.987 -5.414 2 HA MET 1 HA MET 1 -12.880 -9.217 -6.170 3 HB2 MET 1 2HB MET 1 -12.257 -10.292 -4.049 4 HB3 MET 1 3HB MET 1 -13.794 -9.823 -3.327 5 HG2 MET 1 2HG MET 1 -14.983 -11.246 -4.995 6 HG3 MET 1 3HG MET 1 -13.430 -11.672 -5.725 7 HE1 MET 1 3HE MET 1 -14.614 -15.018 -4.026 8 HE2 MET 1 1HE MET 1 -15.692 -13.786 -4.712 9 HE3 MET 1 2HE MET 1 -14.179 -14.212 -5.550 10 H THR 2 H THR 2 -14.728 -9.667 -7.352 11 HA THR 2 HA THR 2 -17.034 -7.854 -6.897 12 HB THR 2 HB THR 2 -17.570 -8.490 -9.273 13 HG1 THR 2 HG1 THR 2 -15.920 -9.516 -10.420 14 HG21 THR 2 3HG2 THR 2 -16.292 -6.426 -8.722 15 HG22 THR 2 1HG2 THR 2 -15.805 -7.127 -10.273 16 HG23 THR 2 2HG2 THR 2 -14.773 -7.342 -8.843 17 H ASP 3 H ASP 3 -16.402 -11.344 -7.304 18 HA ASP 3 HA ASP 3 -19.188 -12.076 -7.401 19 HB2 ASP 3 2HB ASP 3 -17.312 -13.343 -8.416 20 HB3 ASP 3 3HB ASP 3 -16.723 -13.753 -6.808 21 H SER 4 H SER 4 -17.068 -11.446 -4.743 22 HA SER 4 HA SER 4 -19.243 -11.572 -2.824 23 HB2 SER 4 2HB SER 4 -16.825 -13.407 -2.536 24 HB3 SER 4 3HB SER 4 -17.800 -12.879 -1.154 25 HG SER 4 HG SER 4 -19.053 -14.021 -3.407 26 H GLU 5 H GLU 5 -18.713 -10.355 -0.900 27 HA GLU 5 HA GLU 5 -16.887 -8.171 -1.514 28 HB2 GLU 5 2HB GLU 5 -18.808 -8.568 0.801 29 HB3 GLU 5 3HB GLU 5 -17.932 -7.078 0.429 30 HG2 GLU 5 2HG GLU 5 -19.033 -6.991 -1.763 31 HG3 GLU 5 3HG GLU 5 -19.986 -8.409 -1.329 32 H LYS 6 H LYS 6 -15.296 -10.360 -1.152 33 HA LYS 6 HA LYS 6 -14.264 -10.499 1.592 34 HB2 LYS 6 2HB LYS 6 -13.157 -11.737 -0.957 35 HB3 LYS 6 3HB LYS 6 -12.709 -12.172 0.686 36 HG2 LYS 6 2HG LYS 6 -15.430 -12.625 -0.604 37 HG3 LYS 6 3HG LYS 6 -14.191 -13.837 -0.289 38 HD2 LYS 6 2HD LYS 6 -14.408 -13.384 2.172 39 HD3 LYS 6 3HD LYS 6 -15.749 -12.269 1.816 40 HE2 LYS 6 2HE LYS 6 -16.997 -14.115 0.722 41 HE3 LYS 6 3HE LYS 6 -15.663 -15.224 1.059 42 HZ1 LYS 6 3HZ LYS 6 -17.411 -15.413 2.732 43 HZ2 LYS 6 1HZ LYS 6 -17.283 -13.836 3.132 44 HZ3 LYS 6 2HZ LYS 6 -16.048 -14.864 3.439 45 H SER 7 H SER 7 -13.482 -8.586 -1.096 46 HA SER 7 HA SER 7 -11.378 -7.220 0.410 47 HB2 SER 7 2HB SER 7 -9.706 -7.276 -1.332 48 HB3 SER 7 3HB SER 7 -10.092 -8.921 -0.808 49 HG SER 7 HG SER 7 -9.994 -8.862 -3.039 50 H ALA 8 H ALA 8 -11.143 -5.066 -0.131 51 HA ALA 8 HA ALA 8 -12.727 -3.976 -2.417 52 HB1 ALA 8 3HB ALA 8 -12.642 -2.879 0.413 53 HB2 ALA 8 1HB ALA 8 -13.532 -2.184 -0.957 54 HB3 ALA 8 2HB ALA 8 -13.997 -3.769 -0.311 55 H THR 9 H THR 9 -10.030 -4.517 -2.667 56 HA THR 9 HA THR 9 -8.542 -1.958 -2.292 57 HB THR 9 HB THR 9 -6.555 -3.305 -3.047 58 HG1 THR 9 HG1 THR 9 -8.218 -5.528 -2.506 59 HG21 THR 9 3HG2 THR 9 -6.273 -4.528 -0.959 60 HG22 THR 9 1HG2 THR 9 -7.998 -4.312 -0.576 61 HG23 THR 9 2HG2 THR 9 -6.915 -2.902 -0.681 62 H ILE 10 H ILE 10 -7.126 -1.221 -3.972 63 HA ILE 10 HA ILE 10 -7.979 -1.822 -6.779 64 HB ILE 10 HB ILE 10 -7.432 0.464 -7.404 65 HG12 ILE 10 2HG1 ILE 10 -7.029 1.019 -4.428 66 HG13 ILE 10 3HG1 ILE 10 -5.773 0.990 -5.670 67 HG21 ILE 10 1HG2 ILE 10 -9.441 1.514 -6.579 68 HG22 ILE 10 2HG2 ILE 10 -9.760 -0.213 -6.752 69 HG23 ILE 10 3HG2 ILE 10 -9.469 0.474 -5.140 70 HD11 ILE 10 3HD1 ILE 10 -6.882 2.911 -6.816 71 HD12 ILE 10 1HD1 ILE 10 -8.037 3.005 -5.461 72 HD13 ILE 10 2HD1 ILE 10 -6.313 3.278 -5.174 73 H LYS 11 H LYS 11 -6.366 -1.609 -8.369 74 HA LYS 11 HA LYS 11 -3.589 -2.158 -7.440 75 HB2 LYS 11 2HB LYS 11 -4.635 -4.087 -8.514 76 HB3 LYS 11 3HB LYS 11 -5.021 -3.113 -9.941 77 HG2 LYS 11 2HG LYS 11 -2.608 -2.756 -10.369 78 HG3 LYS 11 3HG LYS 11 -2.192 -3.709 -8.937 79 HD2 LYS 11 2HD LYS 11 -3.822 -4.780 -11.281 80 HD3 LYS 11 3HD LYS 11 -2.054 -4.878 -11.193 81 HE2 LYS 11 2HE LYS 11 -2.336 -6.085 -8.959 82 HE3 LYS 11 3HE LYS 11 -4.070 -6.179 -9.313 83 HZ1 LYS 11 3HZ LYS 11 -2.950 -8.185 -10.061 84 HZ2 LYS 11 1HZ LYS 11 -1.867 -7.342 -10.947 85 HZ3 LYS 11 2HZ LYS 11 -3.450 -7.378 -11.391 86 H VAL 12 H VAL 12 -1.967 -0.931 -8.221 87 HA VAL 12 HA VAL 12 -2.626 1.292 -10.127 88 HB VAL 12 HB VAL 12 -1.258 2.810 -8.811 89 HG11 VAL 12 1HG1 VAL 12 -2.846 3.189 -7.007 90 HG12 VAL 12 2HG1 VAL 12 -3.711 2.658 -8.460 91 HG13 VAL 12 3HG1 VAL 12 -3.447 1.527 -7.124 92 HG21 VAL 12 3HG2 VAL 12 0.233 1.192 -7.636 93 HG22 VAL 12 1HG2 VAL 12 -0.558 2.322 -6.529 94 HG23 VAL 12 2HG2 VAL 12 -1.148 0.657 -6.653 95 H THR 13 H THR 13 -0.910 2.238 -11.279 96 HA THR 13 HA THR 13 1.705 0.876 -11.422 97 HB THR 13 HB THR 13 1.636 0.797 -13.884 98 HG1 THR 13 HG1 THR 13 -0.386 0.961 -14.912 99 HG21 THR 13 3HG2 THR 13 -0.685 -0.825 -12.771 100 HG22 THR 13 1HG2 THR 13 1.025 -1.252 -12.558 101 HG23 THR 13 2HG2 THR 13 0.325 -1.195 -14.185 102 H ASP 14 H ASP 14 3.288 2.151 -12.610 103 HA ASP 14 HA ASP 14 3.575 4.628 -11.594 104 HB2 ASP 14 2HB ASP 14 5.313 3.159 -12.659 105 HB3 ASP 14 3HB ASP 14 4.760 3.694 -14.240 106 H ALA 15 H ALA 15 2.074 4.044 -14.775 107 HA ALA 15 HA ALA 15 2.040 6.822 -15.584 108 HB1 ALA 15 3HB ALA 15 0.708 5.954 -17.464 109 HB2 ALA 15 1HB ALA 15 2.126 4.930 -17.166 110 HB3 ALA 15 2HB ALA 15 0.513 4.398 -16.629 111 H SER 16 H SER 16 -0.058 5.003 -13.504 112 HA SER 16 HA SER 16 -2.240 7.048 -13.706 113 HB2 SER 16 2HB SER 16 -2.462 4.114 -12.960 114 HB3 SER 16 3HB SER 16 -3.792 5.286 -13.052 115 HG SER 16 HG SER 16 -3.412 5.500 -15.278 116 H PHE 17 H PHE 17 0.137 5.772 -11.615 117 HA PHE 17 HA PHE 17 -0.961 5.638 -9.113 118 HB2 PHE 17 2HB PHE 17 1.426 5.212 -9.952 119 HB3 PHE 17 3HB PHE 17 1.730 6.922 -9.731 120 HD1 PHE 17 HD1 PHE 17 1.544 7.897 -7.344 121 HD2 PHE 17 HD2 PHE 17 1.487 3.666 -8.181 122 HE1 PHE 17 HE1 PHE 17 2.134 7.415 -4.978 123 HE2 PHE 17 HE2 PHE 17 2.145 3.197 -5.838 124 HZ PHE 17 HZ PHE 17 2.458 5.068 -4.232 125 H ALA 18 H ALA 18 0.042 8.684 -10.746 126 HA ALA 18 HA ALA 18 -0.453 10.313 -8.468 127 HB1 ALA 18 3HB ALA 18 -0.263 12.193 -10.051 128 HB2 ALA 18 1HB ALA 18 1.015 10.994 -10.311 129 HB3 ALA 18 2HB ALA 18 -0.380 11.062 -11.418 130 H THR 19 H THR 19 -2.638 9.142 -10.979 131 HA THR 19 HA THR 19 -4.865 10.883 -10.134 132 HB THR 19 HB THR 19 -4.911 8.482 -12.003 133 HG1 THR 19 HG1 THR 19 -4.648 10.009 -13.642 134 HG21 THR 19 3HG2 THR 19 -6.740 10.914 -11.739 135 HG22 THR 19 1HG2 THR 19 -7.163 9.228 -11.366 136 HG23 THR 19 2HG2 THR 19 -6.834 9.698 -13.035 137 H ASP 20 H ASP 20 -3.751 7.561 -9.566 138 HA ASP 20 HA ASP 20 -6.269 6.815 -8.230 139 HB2 ASP 20 2HB ASP 20 -3.657 5.322 -8.671 140 HB3 ASP 20 3HB ASP 20 -5.074 4.637 -7.879 141 H VAL 21 H VAL 21 -2.961 7.551 -7.188 142 HA VAL 21 HA VAL 21 -3.710 7.074 -4.332 143 HB VAL 21 HB VAL 21 -0.934 7.354 -5.536 144 HG11 VAL 21 1HG1 VAL 21 -0.160 6.383 -3.469 145 HG12 VAL 21 2HG1 VAL 21 -1.114 7.811 -3.086 146 HG13 VAL 21 3HG1 VAL 21 -1.823 6.192 -2.873 147 HG21 VAL 21 3HG2 VAL 21 -1.950 5.349 -6.500 148 HG22 VAL 21 1HG2 VAL 21 -0.762 4.890 -5.292 149 HG23 VAL 21 2HG2 VAL 21 -2.493 4.813 -4.890 150 H LEU 22 H LEU 22 -1.821 9.406 -6.343 151 HA LEU 22 HA LEU 22 -1.613 11.172 -4.070 152 HB2 LEU 22 2HB LEU 22 -0.823 11.810 -6.919 153 HB3 LEU 22 3HB LEU 22 -0.287 12.623 -5.463 154 HG LEU 22 HG LEU 22 0.384 9.760 -6.242 155 HD11 LEU 22 1HD1 LEU 22 2.663 10.610 -6.497 156 HD12 LEU 22 2HD1 LEU 22 2.124 12.247 -6.056 157 HD13 LEU 22 3HD1 LEU 22 1.553 11.490 -7.559 158 HD21 LEU 22 3HD2 LEU 22 1.954 9.799 -4.324 159 HD22 LEU 22 1HD2 LEU 22 0.280 9.921 -3.783 160 HD23 LEU 22 2HD2 LEU 22 1.310 11.373 -3.826 161 H SER 23 H SER 23 -4.129 10.901 -6.355 162 HA SER 23 HA SER 23 -4.992 13.688 -6.199 163 HB2 SER 23 2HB SER 23 -6.359 11.202 -7.212 164 HB3 SER 23 3HB SER 23 -7.085 12.819 -7.243 165 HG SER 23 HG SER 23 -4.533 12.211 -8.358 166 H SER 24 H SER 24 -5.196 11.084 -3.937 167 HA SER 24 HA SER 24 -7.752 11.725 -2.764 168 HB2 SER 24 2HB SER 24 -5.396 10.002 -1.903 169 HB3 SER 24 3HB SER 24 -6.939 10.081 -1.064 170 HG SER 24 HG SER 24 -7.969 9.329 -2.971 171 H ASN 25 H ASN 25 -8.126 13.455 -1.486 172 HA ASN 25 HA ASN 25 -6.083 14.653 0.246 173 HB2 ASN 25 2HB ASN 25 -7.900 16.026 -0.630 174 HB3 ASN 25 3HB ASN 25 -9.108 14.980 0.136 175 HD21 ASN 25 1HD2 ASN 25 -6.281 17.093 0.905 176 HD22 ASN 25 2HD2 ASN 25 -6.813 17.404 2.566 177 H LYS 26 H LYS 26 -8.386 12.025 0.502 178 HA LYS 26 HA LYS 26 -8.126 11.639 3.385 179 HB2 LYS 26 2HB LYS 26 -9.274 9.542 3.029 180 HB3 LYS 26 3HB LYS 26 -10.083 10.800 2.101 181 HG2 LYS 26 2HG LYS 26 -8.918 10.014 0.039 182 HG3 LYS 26 3HG LYS 26 -8.134 8.732 0.969 183 HD2 LYS 26 2HD LYS 26 -11.122 9.027 0.474 184 HD3 LYS 26 3HD LYS 26 -10.016 7.903 -0.319 185 HE2 LYS 26 2HE LYS 26 -9.497 6.994 2.044 186 HE3 LYS 26 3HE LYS 26 -10.922 7.901 2.586 187 HZ1 LYS 26 3HZ LYS 26 -11.625 5.676 2.007 188 HZ2 LYS 26 1HZ LYS 26 -10.828 5.723 0.572 189 HZ3 LYS 26 2HZ LYS 26 -12.171 6.640 0.814 190 HA PRO 27 HA PRO 27 -4.211 9.540 3.334 191 HB2 PRO 27 2HB PRO 27 -4.427 7.669 5.344 192 HB3 PRO 27 3HB PRO 27 -4.190 9.421 5.614 193 HG2 PRO 27 2HG PRO 27 -6.771 7.851 5.659 194 HG3 PRO 27 3HG PRO 27 -6.213 9.082 6.830 195 HD2 PRO 27 2HD PRO 27 -7.986 9.633 4.829 196 HD3 PRO 27 3HD PRO 27 -6.788 10.840 5.361 197 H VAL 28 H VAL 28 -3.241 7.776 2.376 198 HA VAL 28 HA VAL 28 -4.881 5.414 1.669 199 HB VAL 28 HB VAL 28 -5.212 6.814 -0.212 200 HG11 VAL 28 1HG1 VAL 28 -3.459 7.696 -1.634 201 HG12 VAL 28 2HG1 VAL 28 -3.284 8.351 -0.007 202 HG13 VAL 28 3HG1 VAL 28 -2.208 7.042 -0.560 203 HG21 VAL 28 3HG2 VAL 28 -3.126 4.753 -1.018 204 HG22 VAL 28 1HG2 VAL 28 -4.837 4.410 -0.699 205 HG23 VAL 28 2HG2 VAL 28 -4.385 5.468 -2.038 206 H LEU 29 H LEU 29 -3.911 3.556 1.767 207 HA LEU 29 HA LEU 29 -0.975 3.352 2.272 208 HB2 LEU 29 2HB LEU 29 -3.346 1.485 2.680 209 HB3 LEU 29 3HB LEU 29 -1.725 0.864 2.619 210 HG LEU 29 HG LEU 29 -2.351 0.988 4.876 211 HD11 LEU 29 1HD1 LEU 29 -0.504 3.361 4.415 212 HD12 LEU 29 2HD1 LEU 29 -0.009 1.653 4.387 213 HD13 LEU 29 3HD1 LEU 29 -0.637 2.372 5.880 214 HD21 LEU 29 3HD2 LEU 29 -3.055 2.980 6.050 215 HD22 LEU 29 1HD2 LEU 29 -4.158 2.638 4.708 216 HD23 LEU 29 2HD2 LEU 29 -2.966 3.944 4.557 217 H VAL 30 H VAL 30 0.355 2.561 0.706 218 HA VAL 30 HA VAL 30 -0.878 0.905 -1.453 219 HB VAL 30 HB VAL 30 1.586 2.542 -1.992 220 HG11 VAL 30 1HG1 VAL 30 -0.464 1.134 -3.759 221 HG12 VAL 30 2HG1 VAL 30 0.917 2.080 -4.335 222 HG13 VAL 30 3HG1 VAL 30 1.198 0.589 -3.438 223 HG21 VAL 30 3HG2 VAL 30 -1.288 3.327 -2.612 224 HG22 VAL 30 1HG2 VAL 30 -0.153 4.201 -1.566 225 HG23 VAL 30 2HG2 VAL 30 0.168 4.078 -3.296 226 H ASP 31 H ASP 31 -0.131 -1.096 -1.589 227 HA ASP 31 HA ASP 31 2.309 -1.888 -0.068 228 HB2 ASP 31 2HB ASP 31 0.275 -2.993 0.589 229 HB3 ASP 31 3HB ASP 31 -0.086 -3.445 -1.078 230 H PHE 32 H PHE 32 4.065 -2.773 -0.977 231 HA PHE 32 HA PHE 32 4.144 -3.258 -3.920 232 HB2 PHE 32 2HB PHE 32 6.348 -2.841 -1.871 233 HB3 PHE 32 3HB PHE 32 6.612 -3.267 -3.555 234 HD1 PHE 32 HD2 PHE 32 5.538 -0.558 -1.256 235 HD2 PHE 32 HD1 PHE 32 6.285 -1.656 -5.353 236 HE1 PHE 32 HE2 PHE 32 5.495 1.833 -1.907 237 HE2 PHE 32 HE1 PHE 32 6.183 0.735 -6.008 238 HZ PHE 32 HZ PHE 32 5.788 2.487 -4.285 239 H TRP 33 H TRP 33 3.887 -5.284 -4.574 240 HA TRP 33 HA TRP 33 4.044 -7.593 -2.836 241 HB2 TRP 33 2HB TRP 33 3.864 -7.325 -5.863 242 HB3 TRP 33 3HB TRP 33 3.708 -8.838 -5.004 243 HD1 TRP 33 HD1 TRP 33 1.642 -6.458 -6.590 244 HE1 TRP 33 HE1 TRP 33 -0.800 -6.689 -5.924 245 HE3 TRP 33 HE3 TRP 33 2.269 -9.283 -2.378 246 HZ2 TRP 33 HZ2 TRP 33 -2.326 -8.082 -3.876 247 HZ3 TRP 33 HZ3 TRP 33 0.302 -10.058 -1.094 248 HH2 TRP 33 HH2 TRP 33 -2.003 -9.456 -1.830 249 H ALA 34 H ALA 34 5.291 -9.515 -3.307 250 HA ALA 34 HA ALA 34 7.006 -9.430 -5.589 251 HB1 ALA 34 3HB ALA 34 8.933 -10.641 -4.469 252 HB2 ALA 34 1HB ALA 34 8.776 -8.925 -4.055 253 HB3 ALA 34 2HB ALA 34 8.241 -10.157 -2.901 254 H THR 35 H THR 35 7.087 -11.499 -6.595 255 HA THR 35 HA THR 35 4.615 -12.847 -6.249 256 HB THR 35 HB THR 35 5.485 -14.355 -8.076 257 HG1 THR 35 HG1 THR 35 7.491 -13.777 -8.957 258 HG21 THR 35 3HG2 THR 35 4.345 -12.205 -8.596 259 HG22 THR 35 1HG2 THR 35 5.590 -12.613 -9.789 260 HG23 THR 35 2HG2 THR 35 5.914 -11.369 -8.561 261 H TRP 36 H TRP 36 7.831 -13.826 -5.247 262 HA TRP 36 HA TRP 36 6.982 -16.524 -4.385 263 HB2 TRP 36 2HB TRP 36 9.438 -16.753 -3.985 264 HB3 TRP 36 3HB TRP 36 9.026 -16.304 -5.631 265 HD1 TRP 36 HD1 TRP 36 9.900 -14.043 -6.560 266 HE1 TRP 36 HE1 TRP 36 11.450 -12.187 -5.697 267 HE3 TRP 36 HE3 TRP 36 10.292 -15.514 -1.659 268 HZ2 TRP 36 HZ2 TRP 36 12.617 -11.379 -3.185 269 HZ3 TRP 36 HZ3 TRP 36 11.580 -14.141 -0.043 270 HH2 TRP 36 HH2 TRP 36 12.757 -12.088 -0.791 271 H CYS 37 H CYS 37 6.936 -13.490 -2.942 272 HA CYS 37 HA CYS 37 8.442 -14.047 -0.546 273 HB2 CYS 37 2HB CYS 37 8.622 -11.940 -1.526 274 HB3 CYS 37 3HB CYS 37 6.879 -11.771 -1.701 275 H GLY 38 H GLY 38 7.705 -15.334 0.987 276 HA2 GLY 38 2HA GLY 38 5.145 -16.028 1.773 277 HA3 GLY 38 3HA GLY 38 6.544 -16.004 2.849 278 HA PRO 39 HA PRO 39 4.819 -12.634 5.121 279 HB2 PRO 39 2HB PRO 39 6.505 -10.437 5.087 280 HB3 PRO 39 3HB PRO 39 6.746 -11.921 6.054 281 HG2 PRO 39 2HG PRO 39 7.965 -11.216 3.382 282 HG3 PRO 39 3HG PRO 39 8.766 -11.914 4.820 283 HD2 PRO 39 2HD PRO 39 7.998 -13.457 2.736 284 HD3 PRO 39 3HD PRO 39 7.838 -14.052 4.412 285 H CYS 40 H CYS 40 5.627 -11.738 1.782 286 HA CYS 40 HA CYS 40 3.831 -9.473 1.637 287 HB2 CYS 40 2HB CYS 40 4.697 -11.251 -0.663 288 HB3 CYS 40 3HB CYS 40 4.050 -9.627 -0.723 289 H LYS 41 H LYS 41 3.467 -12.996 0.933 290 HA LYS 41 HA LYS 41 0.620 -12.794 0.338 291 HB2 LYS 41 2HB LYS 41 2.091 -15.231 1.404 292 HB3 LYS 41 3HB LYS 41 0.542 -15.194 0.569 293 HG2 LYS 41 2HG LYS 41 3.284 -14.662 -0.602 294 HG3 LYS 41 3HG LYS 41 2.217 -16.008 -0.934 295 HD2 LYS 41 2HD LYS 41 0.668 -14.563 -2.161 296 HD3 LYS 41 3HD LYS 41 1.552 -13.118 -1.658 297 HE2 LYS 41 2HE LYS 41 2.192 -13.558 -3.904 298 HE3 LYS 41 3HE LYS 41 3.570 -13.880 -2.852 299 HZ1 LYS 41 3HZ LYS 41 1.799 -15.929 -4.081 300 HZ2 LYS 41 1HZ LYS 41 3.000 -16.279 -3.021 301 HZ3 LYS 41 2HZ LYS 41 3.364 -15.622 -4.468 302 H MET 42 H MET 42 2.376 -13.155 3.402 303 HA MET 42 HA MET 42 0.051 -13.634 5.018 304 HB2 MET 42 2HB MET 42 2.732 -12.410 5.743 305 HB3 MET 42 3HB MET 42 1.494 -12.849 6.913 306 HG2 MET 42 2HG MET 42 1.607 -15.177 6.332 307 HG3 MET 42 3HG MET 42 2.667 -14.857 4.964 308 HE1 MET 42 3HE MET 42 4.383 -16.663 5.629 309 HE2 MET 42 1HE MET 42 5.067 -16.844 7.259 310 HE3 MET 42 2HE MET 42 3.332 -17.119 6.991 311 H VAL 43 H VAL 43 1.420 -10.488 3.888 312 HA VAL 43 HA VAL 43 -0.514 -9.028 5.555 313 HB VAL 43 HB VAL 43 0.299 -6.998 4.510 314 HG11 VAL 43 1HG1 VAL 43 2.473 -6.977 5.543 315 HG12 VAL 43 2HG1 VAL 43 1.341 -7.923 6.535 316 HG13 VAL 43 3HG1 VAL 43 2.550 -8.756 5.531 317 HG21 VAL 43 3HG2 VAL 43 0.961 -7.875 2.270 318 HG22 VAL 43 1HG2 VAL 43 2.229 -6.932 3.062 319 HG23 VAL 43 2HG2 VAL 43 2.331 -8.698 3.043 320 H ALA 44 H ALA 44 -0.703 -10.501 2.449 321 HA ALA 44 HA ALA 44 -2.426 -8.801 1.092 322 HB1 ALA 44 3HB ALA 44 -3.142 -10.773 -0.158 323 HB2 ALA 44 1HB ALA 44 -1.393 -10.825 0.145 324 HB3 ALA 44 2HB ALA 44 -2.481 -11.848 1.082 325 HA PRO 45 HA PRO 45 -6.368 -10.586 3.185 326 HB2 PRO 45 2HB PRO 45 -6.194 -11.900 5.592 327 HB3 PRO 45 3HB PRO 45 -6.148 -12.726 4.004 328 HG2 PRO 45 2HG PRO 45 -3.792 -11.878 5.726 329 HG3 PRO 45 3HG PRO 45 -4.094 -13.479 4.974 330 HD2 PRO 45 2HD PRO 45 -2.486 -11.698 3.779 331 HD3 PRO 45 3HD PRO 45 -3.638 -12.653 2.806 332 H VAL 46 H VAL 46 -3.670 -9.474 5.261 333 HA VAL 46 HA VAL 46 -5.304 -8.006 7.137 334 HB VAL 46 HB VAL 46 -2.365 -7.857 6.374 335 HG11 VAL 46 1HG1 VAL 46 -2.845 -5.628 7.121 336 HG12 VAL 46 2HG1 VAL 46 -3.842 -6.242 8.454 337 HG13 VAL 46 3HG1 VAL 46 -2.073 -6.480 8.453 338 HG21 VAL 46 3HG2 VAL 46 -2.048 -8.879 8.579 339 HG22 VAL 46 1HG2 VAL 46 -3.802 -8.835 8.879 340 HG23 VAL 46 2HG2 VAL 46 -3.128 -9.874 7.604 341 H LEU 47 H LEU 47 -3.479 -6.890 4.242 342 HA LEU 47 HA LEU 47 -4.477 -4.170 4.456 343 HB2 LEU 47 2HB LEU 47 -3.120 -3.722 2.623 344 HB3 LEU 47 3HB LEU 47 -2.293 -4.940 3.540 345 HG LEU 47 HG LEU 47 -3.425 -6.615 1.802 346 HD11 LEU 47 1HD1 LEU 47 -3.630 -5.668 -0.434 347 HD12 LEU 47 2HD1 LEU 47 -3.202 -4.049 0.164 348 HD13 LEU 47 3HD1 LEU 47 -4.734 -4.797 0.639 349 HD21 LEU 47 3HD2 LEU 47 -1.007 -6.295 2.081 350 HD22 LEU 47 1HD2 LEU 47 -1.084 -4.808 1.126 351 HD23 LEU 47 2HD2 LEU 47 -1.426 -6.378 0.363 352 H GLU 48 H GLU 48 -5.624 -7.037 2.618 353 HA GLU 48 HA GLU 48 -7.758 -5.542 1.338 354 HB2 GLU 48 2HB GLU 48 -7.271 -8.506 1.752 355 HB3 GLU 48 3HB GLU 48 -8.669 -7.856 0.884 356 HG2 GLU 48 2HG GLU 48 -7.266 -6.701 -0.712 357 HG3 GLU 48 3HG GLU 48 -5.795 -7.142 0.146 358 H GLU 49 H GLU 49 -7.638 -7.332 4.463 359 HA GLU 49 HA GLU 49 -10.427 -6.883 5.056 360 HB2 GLU 49 2HB GLU 49 -8.021 -7.496 6.795 361 HB3 GLU 49 3HB GLU 49 -9.592 -7.086 7.483 362 HG2 GLU 49 2HG GLU 49 -10.696 -8.911 6.353 363 HG3 GLU 49 3HG GLU 49 -9.241 -9.339 5.470 364 H ILE 50 H ILE 50 -7.483 -4.896 5.932 365 HA ILE 50 HA ILE 50 -8.995 -2.795 7.154 366 HB ILE 50 HB ILE 50 -6.417 -2.799 5.604 367 HG12 ILE 50 2HG1 ILE 50 -6.312 -3.943 7.776 368 HG13 ILE 50 3HG1 ILE 50 -5.309 -2.509 7.758 369 HG21 ILE 50 1HG2 ILE 50 -7.209 -0.547 5.343 370 HG22 ILE 50 2HG2 ILE 50 -7.630 -0.415 7.053 371 HG23 ILE 50 3HG2 ILE 50 -5.927 -0.525 6.551 372 HD11 ILE 50 3HD1 ILE 50 -7.005 -1.265 9.083 373 HD12 ILE 50 1HD1 ILE 50 -8.027 -2.725 9.125 374 HD13 ILE 50 2HD1 ILE 50 -6.438 -2.718 9.901 375 H ALA 51 H ALA 51 -8.252 -3.322 3.655 376 HA ALA 51 HA ALA 51 -9.544 -0.967 2.724 377 HB1 ALA 51 3HB ALA 51 -9.538 -3.641 1.277 378 HB2 ALA 51 1HB ALA 51 -9.483 -2.005 0.590 379 HB3 ALA 51 2HB ALA 51 -8.080 -2.660 1.455 380 H THR 52 H THR 52 -10.922 -4.158 3.632 381 HA THR 52 HA THR 52 -13.581 -3.556 2.571 382 HB THR 52 HB THR 52 -12.615 -5.780 4.408 383 HG1 THR 52 HG1 THR 52 -11.532 -5.898 2.513 384 HG21 THR 52 3HG2 THR 52 -14.549 -7.034 3.465 385 HG22 THR 52 1HG2 THR 52 -15.096 -5.557 2.643 386 HG23 THR 52 2HG2 THR 52 -15.071 -5.641 4.421 387 H GLU 53 H GLU 53 -11.953 -3.376 5.733 388 HA GLU 53 HA GLU 53 -14.475 -2.901 7.178 389 HB2 GLU 53 2HB GLU 53 -11.567 -2.874 8.056 390 HB3 GLU 53 3HB GLU 53 -12.972 -2.715 9.125 391 HG2 GLU 53 2HG GLU 53 -13.733 -4.977 8.343 392 HG3 GLU 53 3HG GLU 53 -12.257 -5.174 7.474 393 H ARG 54 H ARG 54 -11.679 -0.946 6.174 394 HA ARG 54 HA ARG 54 -12.674 1.380 7.764 395 HB2 ARG 54 2HB ARG 54 -9.842 0.947 6.827 396 HB3 ARG 54 3HB ARG 54 -10.424 1.982 8.128 397 HG2 ARG 54 2HG ARG 54 -10.222 -1.048 8.133 398 HG3 ARG 54 3HG ARG 54 -9.201 0.079 9.007 399 HD2 ARG 54 2HD ARG 54 -10.983 0.713 10.488 400 HD3 ARG 54 3HD ARG 54 -12.185 -0.159 9.536 401 HE ARG 54 HE ARG 54 -10.980 -2.293 10.125 402 HH11 ARG 54 1HH1 ARG 54 -10.715 0.372 12.404 403 HH12 ARG 54 2HH1 ARG 54 -10.452 -0.727 13.730 404 HH21 ARG 54 1HH2 ARG 54 -10.727 -3.542 11.735 405 HH22 ARG 54 2HH2 ARG 54 -10.432 -2.940 13.368 406 H ALA 55 H ALA 55 -13.278 0.685 4.832 407 HA ALA 55 HA ALA 55 -12.013 2.301 3.005 408 HB1 ALA 55 3HB ALA 55 -14.083 2.109 1.682 409 HB2 ALA 55 1HB ALA 55 -13.706 0.580 2.491 410 HB3 ALA 55 2HB ALA 55 -14.985 1.631 3.136 411 H THR 56 H THR 56 -14.435 3.424 5.349 412 HA THR 56 HA THR 56 -14.836 6.042 4.124 413 HB THR 56 HB THR 56 -16.050 6.496 6.298 414 HG1 THR 56 HG1 THR 56 -16.417 4.701 7.610 415 HG21 THR 56 3HG2 THR 56 -17.226 5.630 4.288 416 HG22 THR 56 1HG2 THR 56 -17.938 5.022 5.792 417 HG23 THR 56 2HG2 THR 56 -16.895 3.965 4.813 418 H ASP 57 H ASP 57 -12.431 4.745 6.263 419 HA ASP 57 HA ASP 57 -11.587 7.459 7.189 420 HB2 ASP 57 2HB ASP 57 -10.695 4.664 7.991 421 HB3 ASP 57 3HB ASP 57 -9.985 6.156 8.592 422 H LEU 58 H LEU 58 -10.390 4.623 5.336 423 HA LEU 58 HA LEU 58 -8.501 6.357 3.908 424 HB2 LEU 58 2HB LEU 58 -6.521 5.205 4.421 425 HB3 LEU 58 3HB LEU 58 -7.261 5.721 5.906 426 HG LEU 58 HG LEU 58 -6.103 3.652 6.112 427 HD11 LEU 58 1HD1 LEU 58 -9.063 3.151 6.442 428 HD12 LEU 58 2HD1 LEU 58 -8.063 4.081 7.570 429 HD13 LEU 58 3HD1 LEU 58 -7.739 2.355 7.319 430 HD21 LEU 58 3HD2 LEU 58 -8.113 2.196 4.404 431 HD22 LEU 58 1HD2 LEU 58 -6.620 1.613 5.158 432 HD23 LEU 58 2HD2 LEU 58 -6.516 2.750 3.822 433 H THR 59 H THR 59 -7.339 5.261 2.158 434 HA THR 59 HA THR 59 -8.914 3.016 0.921 435 HB THR 59 HB THR 59 -7.267 5.182 -0.430 436 HG1 THR 59 HG1 THR 59 -9.324 5.643 -1.322 437 HG21 THR 59 3HG2 THR 59 -8.183 4.230 -2.549 438 HG22 THR 59 1HG2 THR 59 -8.817 2.843 -1.637 439 HG23 THR 59 2HG2 THR 59 -7.061 3.125 -1.758 440 H VAL 60 H VAL 60 -7.788 1.183 0.173 441 HA VAL 60 HA VAL 60 -4.830 1.159 0.614 442 HB VAL 60 HB VAL 60 -6.553 -1.281 0.904 443 HG11 VAL 60 1HG1 VAL 60 -4.235 -1.736 0.225 444 HG12 VAL 60 2HG1 VAL 60 -3.637 -0.764 1.590 445 HG13 VAL 60 3HG1 VAL 60 -4.546 -2.264 1.876 446 HG21 VAL 60 3HG2 VAL 60 -7.090 0.143 2.805 447 HG22 VAL 60 1HG2 VAL 60 -6.060 -1.192 3.330 448 HG23 VAL 60 2HG2 VAL 60 -5.363 0.429 3.116 449 H ALA 61 H ALA 61 -3.675 0.785 -1.083 450 HA ALA 61 HA ALA 61 -4.832 -0.444 -3.537 451 HB1 ALA 61 3HB ALA 61 -3.427 1.149 -4.798 452 HB2 ALA 61 1HB ALA 61 -4.558 2.013 -3.733 453 HB3 ALA 61 2HB ALA 61 -2.853 1.853 -3.276 454 H LYS 62 H LYS 62 -3.236 -1.516 -4.946 455 HA LYS 62 HA LYS 62 -0.617 -2.134 -3.653 456 HB2 LYS 62 2HB LYS 62 -0.792 -4.498 -4.067 457 HB3 LYS 62 3HB LYS 62 -2.059 -3.914 -3.004 458 HG2 LYS 62 2HG LYS 62 -3.324 -3.797 -5.496 459 HG3 LYS 62 3HG LYS 62 -2.252 -5.186 -5.683 460 HD2 LYS 62 2HD LYS 62 -3.165 -6.022 -3.439 461 HD3 LYS 62 3HD LYS 62 -4.341 -4.701 -3.522 462 HE2 LYS 62 2HE LYS 62 -5.061 -5.603 -5.792 463 HE3 LYS 62 3HE LYS 62 -4.026 -7.007 -5.505 464 HZ1 LYS 62 3HZ LYS 62 -5.428 -7.488 -3.491 465 HZ2 LYS 62 1HZ LYS 62 -6.313 -7.464 -4.857 466 HZ3 LYS 62 2HZ LYS 62 -6.357 -6.191 -3.844 467 H LEU 63 H LEU 63 1.060 -2.620 -4.851 468 HA LEU 63 HA LEU 63 0.914 -1.747 -7.705 469 HB2 LEU 63 2HB LEU 63 2.152 -0.257 -6.248 470 HB3 LEU 63 3HB LEU 63 3.176 -1.563 -5.685 471 HG LEU 63 HG LEU 63 4.194 0.009 -7.300 472 HD11 LEU 63 1HD1 LEU 63 5.556 -1.493 -8.411 473 HD12 LEU 63 2HD1 LEU 63 4.275 -2.676 -8.637 474 HD13 LEU 63 3HD1 LEU 63 4.973 -2.436 -7.025 475 HD21 LEU 63 3HD2 LEU 63 3.775 -0.187 -9.711 476 HD22 LEU 63 1HD2 LEU 63 2.358 0.420 -8.835 477 HD23 LEU 63 2HD2 LEU 63 2.425 -1.264 -9.406 478 H ASP 64 H ASP 64 1.329 -3.092 -9.217 479 HA ASP 64 HA ASP 64 2.006 -5.894 -8.574 480 HB2 ASP 64 2HB ASP 64 -0.008 -5.204 -9.885 481 HB3 ASP 64 3HB ASP 64 1.056 -4.743 -11.210 482 H VAL 65 H VAL 65 4.203 -5.611 -8.083 483 HA VAL 65 HA VAL 65 6.040 -4.240 -9.705 484 HB VAL 65 HB VAL 65 6.288 -4.955 -7.292 485 HG11 VAL 65 1HG1 VAL 65 5.929 -7.392 -7.533 486 HG12 VAL 65 2HG1 VAL 65 7.397 -7.522 -8.533 487 HG13 VAL 65 3HG1 VAL 65 7.529 -7.043 -6.847 488 HG21 VAL 65 3HG2 VAL 65 8.068 -3.807 -8.508 489 HG22 VAL 65 1HG2 VAL 65 8.711 -4.970 -7.343 490 HG23 VAL 65 2HG2 VAL 65 8.713 -5.367 -9.072 491 H ASP 66 H ASP 66 4.833 -7.471 -10.209 492 HA ASP 66 HA ASP 66 6.979 -8.401 -11.919 493 HB2 ASP 66 2HB ASP 66 5.438 -9.869 -10.636 494 HB3 ASP 66 3HB ASP 66 4.102 -9.349 -11.665 495 H THR 67 H THR 67 4.080 -6.449 -12.524 496 HA THR 67 HA THR 67 4.646 -6.509 -15.472 497 HB THR 67 HB THR 67 2.396 -5.682 -15.817 498 HG1 THR 67 HG1 THR 67 0.959 -5.625 -14.078 499 HG21 THR 67 3HG2 THR 67 2.782 -8.145 -15.739 500 HG22 THR 67 1HG2 THR 67 1.143 -7.683 -15.250 501 HG23 THR 67 2HG2 THR 67 2.337 -8.143 -14.017 502 H ASN 68 H ASN 68 4.534 -4.400 -12.676 503 HA ASN 68 HA ASN 68 5.705 -2.230 -14.338 504 HB2 ASN 68 2HB ASN 68 3.251 -1.839 -14.027 505 HB3 ASN 68 3HB ASN 68 3.506 -1.802 -12.278 506 HD21 ASN 68 1HD2 ASN 68 4.575 -0.247 -15.349 507 HD22 ASN 68 2HD2 ASN 68 4.892 1.307 -14.600 508 HA PRO 69 HA PRO 69 8.308 -2.841 -10.542 509 HB2 PRO 69 2HB PRO 69 10.741 -2.934 -11.776 510 HB3 PRO 69 3HB PRO 69 9.686 -4.369 -11.609 511 HG2 PRO 69 2HG PRO 69 9.944 -2.520 -14.004 512 HG3 PRO 69 3HG PRO 69 10.010 -4.312 -13.980 513 HD2 PRO 69 2HD PRO 69 7.730 -2.963 -14.594 514 HD3 PRO 69 3HD PRO 69 7.679 -4.485 -13.656 515 H GLU 70 H GLU 70 8.044 -0.593 -13.171 516 HA GLU 70 HA GLU 70 9.989 1.326 -12.592 517 HB2 GLU 70 2HB GLU 70 7.159 1.742 -13.646 518 HB3 GLU 70 3HB GLU 70 8.466 2.918 -13.764 519 HG2 GLU 70 2HG GLU 70 8.448 0.172 -15.067 520 HG3 GLU 70 3HG GLU 70 8.091 1.691 -15.870 521 H THR 71 H THR 71 6.749 1.040 -11.047 522 HA THR 71 HA THR 71 7.010 3.491 -9.527 523 HB THR 71 HB THR 71 5.385 1.113 -8.850 524 HG1 THR 71 HG1 THR 71 4.709 1.693 -10.857 525 HG21 THR 71 3HG2 THR 71 3.795 2.738 -7.864 526 HG22 THR 71 1HG2 THR 71 4.969 4.039 -8.167 527 HG23 THR 71 2HG2 THR 71 5.340 2.725 -7.022 528 H ALA 72 H ALA 72 7.958 0.087 -8.847 529 HA ALA 72 HA ALA 72 8.625 0.524 -6.067 530 HB1 ALA 72 3HB ALA 72 9.811 -1.609 -6.277 531 HB2 ALA 72 1HB ALA 72 8.217 -1.712 -7.043 532 HB3 ALA 72 2HB ALA 72 9.677 -1.548 -8.044 533 H ARG 73 H ARG 73 10.380 1.028 -9.111 534 HA ARG 73 HA ARG 73 12.858 1.938 -7.811 535 HB2 ARG 73 2HB ARG 73 11.850 2.453 -10.634 536 HB3 ARG 73 3HB ARG 73 13.501 2.660 -10.075 537 HG2 ARG 73 2HG ARG 73 12.139 -0.070 -9.996 538 HG3 ARG 73 3HG ARG 73 12.806 0.595 -11.456 539 HD2 ARG 73 2HD ARG 73 14.364 -0.970 -10.297 540 HD3 ARG 73 3HD ARG 73 15.035 0.634 -10.556 541 HE ARG 73 HE ARG 73 15.330 0.862 -8.314 542 HH11 ARG 73 1HH1 ARG 73 12.876 -1.642 -8.588 543 HH12 ARG 73 2HH1 ARG 73 12.850 -1.889 -6.857 544 HH21 ARG 73 1HH2 ARG 73 15.243 0.435 -6.151 545 HH22 ARG 73 2HH2 ARG 73 14.075 -0.712 -5.535 546 H ASN 74 H ASN 74 10.048 3.534 -9.233 547 HA ASN 74 HA ASN 74 10.669 6.209 -8.886 548 HB2 ASN 74 2HB ASN 74 8.449 5.010 -9.755 549 HB3 ASN 74 3HB ASN 74 7.904 5.184 -8.113 550 HD21 ASN 74 1HD2 ASN 74 6.918 6.499 -10.643 551 HD22 ASN 74 2HD2 ASN 74 6.975 8.208 -10.222 552 H PHE 75 H PHE 75 9.265 4.093 -6.360 553 HA PHE 75 HA PHE 75 9.899 6.090 -4.263 554 HB2 PHE 75 2HB PHE 75 8.125 3.642 -4.238 555 HB3 PHE 75 3HB PHE 75 8.437 4.656 -2.832 556 HD1 PHE 75 HD1 PHE 75 7.902 7.158 -2.935 557 HD2 PHE 75 HD2 PHE 75 6.473 4.338 -5.860 558 HE1 PHE 75 HE1 PHE 75 6.219 8.811 -3.708 559 HE2 PHE 75 HE2 PHE 75 4.772 5.984 -6.617 560 HZ PHE 75 HZ PHE 75 4.651 8.226 -5.551 561 H GLN 76 H GLN 76 11.931 4.207 -5.607 562 HA GLN 76 HA GLN 76 13.690 2.923 -5.071 563 HB2 GLN 76 2HB GLN 76 15.238 3.963 -3.538 564 HB3 GLN 76 3HB GLN 76 14.456 5.115 -4.611 565 HG2 GLN 76 2HG GLN 76 13.019 5.919 -2.805 566 HG3 GLN 76 3HG GLN 76 13.635 4.681 -1.704 567 HE21 GLN 76 1HE2 GLN 76 14.618 7.595 -3.596 568 HE22 GLN 76 2HE2 GLN 76 15.961 7.982 -2.530 569 H VAL 77 H VAL 77 11.639 1.435 -4.334 570 HA VAL 77 HA VAL 77 11.922 0.354 -1.625 571 HB VAL 77 HB VAL 77 10.369 -0.723 -4.018 572 HG11 VAL 77 1HG1 VAL 77 9.038 -1.924 -2.297 573 HG12 VAL 77 2HG1 VAL 77 10.716 -2.466 -2.313 574 HG13 VAL 77 3HG1 VAL 77 10.156 -1.357 -1.040 575 HG21 VAL 77 3HG2 VAL 77 9.546 1.520 -3.393 576 HG22 VAL 77 1HG2 VAL 77 8.393 0.275 -2.933 577 HG23 VAL 77 2HG2 VAL 77 9.423 1.012 -1.692 578 H VAL 78 H VAL 78 13.266 -1.055 -0.970 579 HA VAL 78 HA VAL 78 14.678 -2.908 -2.850 580 HB VAL 78 HB VAL 78 16.704 -2.557 -1.488 581 HG11 VAL 78 1HG1 VAL 78 17.361 -0.444 -2.469 582 HG12 VAL 78 2HG1 VAL 78 16.369 -1.356 -3.619 583 HG13 VAL 78 3HG1 VAL 78 15.667 0.014 -2.727 584 HG21 VAL 78 3HG2 VAL 78 15.666 -1.689 0.604 585 HG22 VAL 78 1HG2 VAL 78 16.953 -0.646 -0.014 586 HG23 VAL 78 2HG2 VAL 78 15.261 -0.178 -0.248 587 H SER 79 H SER 79 12.764 -2.751 -0.088 588 HA SER 79 HA SER 79 13.446 -5.551 0.690 589 HB2 SER 79 2HB SER 79 12.467 -3.313 2.507 590 HB3 SER 79 3HB SER 79 12.647 -5.017 2.964 591 HG SER 79 HG SER 79 14.478 -3.763 3.568 592 H ILE 80 H ILE 80 11.624 -6.878 1.191 593 HA ILE 80 HA ILE 80 8.972 -5.771 0.597 594 HB ILE 80 HB ILE 80 8.575 -7.982 -0.788 595 HG12 ILE 80 2HG1 ILE 80 10.368 -8.394 -2.416 596 HG13 ILE 80 3HG1 ILE 80 11.475 -7.372 -1.520 597 HG21 ILE 80 1HG2 ILE 80 8.812 -6.643 -2.806 598 HG22 ILE 80 2HG2 ILE 80 8.120 -5.679 -1.501 599 HG23 ILE 80 3HG2 ILE 80 9.829 -5.473 -1.949 600 HD11 ILE 80 3HD1 ILE 80 11.487 -8.979 0.342 601 HD12 ILE 80 1HD1 ILE 80 10.228 -9.950 -0.468 602 HD13 ILE 80 2HD1 ILE 80 11.847 -9.796 -1.178 603 HA PRO 81 HA PRO 81 6.758 -6.412 0.603 604 HB2 PRO 81 2HB PRO 81 4.805 -6.039 2.460 605 HB3 PRO 81 3HB PRO 81 4.988 -7.566 1.553 606 HG2 PRO 81 2HG PRO 81 6.030 -6.904 4.325 607 HG3 PRO 81 3HG PRO 81 5.093 -8.344 3.826 608 HD2 PRO 81 2HD PRO 81 7.816 -8.395 4.020 609 HD3 PRO 81 3HD PRO 81 6.963 -9.285 2.727 610 H THR 82 H THR 82 6.205 -4.223 0.671 611 HA THR 82 HA THR 82 7.064 -2.551 2.972 612 HB THR 82 HB THR 82 7.837 -2.058 0.072 613 HG1 THR 82 HG1 THR 82 9.529 -2.963 0.979 614 HG21 THR 82 3HG2 THR 82 8.792 0.103 0.889 615 HG22 THR 82 1HG2 THR 82 7.922 -0.117 2.426 616 HG23 THR 82 2HG2 THR 82 7.028 0.098 0.901 617 H LEU 83 H LEU 83 5.577 -1.078 3.504 618 HA LEU 83 HA LEU 83 3.472 -0.391 1.530 619 HB2 LEU 83 2HB LEU 83 3.053 -0.648 4.522 620 HB3 LEU 83 3HB LEU 83 1.924 0.047 3.373 621 HG LEU 83 HG LEU 83 2.187 -2.327 2.177 622 HD11 LEU 83 1HD1 LEU 83 3.838 -3.258 3.806 623 HD12 LEU 83 2HD1 LEU 83 2.321 -4.154 3.832 624 HD13 LEU 83 3HD1 LEU 83 2.680 -2.989 5.124 625 HD21 LEU 83 3HD2 LEU 83 0.079 -1.372 3.005 626 HD22 LEU 83 1HD2 LEU 83 0.495 -1.852 4.667 627 HD23 LEU 83 2HD2 LEU 83 0.193 -3.087 3.422 628 H ILE 84 H ILE 84 2.969 1.686 1.291 629 HA ILE 84 HA ILE 84 4.482 3.746 2.834 630 HB ILE 84 HB ILE 84 5.483 3.462 0.626 631 HG12 ILE 84 2HG1 ILE 84 5.114 5.783 -0.354 632 HG13 ILE 84 3HG1 ILE 84 3.936 6.068 0.923 633 HG21 ILE 84 1HG2 ILE 84 3.657 2.518 -0.643 634 HG22 ILE 84 2HG2 ILE 84 2.725 4.015 -0.500 635 HG23 ILE 84 3HG2 ILE 84 4.222 3.977 -1.453 636 HD11 ILE 84 3HD1 ILE 84 6.902 5.409 1.243 637 HD12 ILE 84 1HD1 ILE 84 6.125 6.979 1.536 638 HD13 ILE 84 2HD1 ILE 84 5.781 5.603 2.600 639 H LEU 85 H LEU 85 3.339 5.442 3.575 640 HA LEU 85 HA LEU 85 0.385 5.500 3.125 641 HB2 LEU 85 2HB LEU 85 1.100 4.984 5.417 642 HB3 LEU 85 3HB LEU 85 2.140 6.405 5.423 643 HG LEU 85 HG LEU 85 0.165 7.894 5.317 644 HD11 LEU 85 1HD1 LEU 85 -2.081 6.980 5.757 645 HD12 LEU 85 2HD1 LEU 85 -1.443 5.329 5.626 646 HD13 LEU 85 3HD1 LEU 85 -1.467 6.404 4.206 647 HD21 LEU 85 3HD2 LEU 85 -0.656 7.393 7.616 648 HD22 LEU 85 1HD2 LEU 85 1.106 7.304 7.493 649 HD23 LEU 85 2HD2 LEU 85 0.138 5.813 7.546 650 H PHE 86 H PHE 86 -0.385 7.170 1.988 651 HA PHE 86 HA PHE 86 1.124 9.762 1.937 652 HB2 PHE 86 2HB PHE 86 -0.784 8.752 -0.185 653 HB3 PHE 86 3HB PHE 86 0.122 10.241 -0.216 654 HD1 PHE 86 HD2 PHE 86 0.318 6.569 -0.598 655 HD2 PHE 86 HD1 PHE 86 2.440 10.303 -0.928 656 HE1 PHE 86 HE2 PHE 86 2.056 5.471 -1.980 657 HE2 PHE 86 HE1 PHE 86 4.223 9.179 -2.237 658 HZ PHE 86 HZ PHE 86 4.030 6.753 -2.767 659 H LYS 87 H LYS 87 -0.081 11.669 2.002 660 HA LYS 87 HA LYS 87 -3.017 11.573 2.139 661 HB2 LYS 87 2HB LYS 87 -2.373 11.489 4.521 662 HB3 LYS 87 3HB LYS 87 -1.384 12.946 4.325 663 HG2 LYS 87 2HG LYS 87 -3.376 14.263 3.732 664 HG3 LYS 87 3HG LYS 87 -4.389 12.816 3.794 665 HD2 LYS 87 2HD LYS 87 -2.879 13.962 6.186 666 HD3 LYS 87 3HD LYS 87 -4.554 14.358 5.769 667 HE2 LYS 87 2HE LYS 87 -5.122 11.911 5.875 668 HE3 LYS 87 3HE LYS 87 -3.480 11.589 6.456 669 HZ1 LYS 87 3HZ LYS 87 -3.939 13.046 8.352 670 HZ2 LYS 87 1HZ LYS 87 -5.039 11.824 8.313 671 HZ3 LYS 87 2HZ LYS 87 -5.473 13.320 7.827 672 H ASP 88 H ASP 88 -3.890 13.224 1.029 673 HA ASP 88 HA ASP 88 -4.044 14.906 -0.452 674 HB2 ASP 88 2HB ASP 88 -3.838 16.028 1.825 675 HB3 ASP 88 3HB ASP 88 -2.198 16.476 1.360 676 H GLY 89 H GLY 89 -2.098 13.010 -1.179 677 HA2 GLY 89 2HA GLY 89 -0.683 12.656 -2.932 678 HA3 GLY 89 3HA GLY 89 -0.780 14.355 -3.373 679 H GLN 90 H GLN 90 0.326 13.678 -0.121 680 HA GLN 90 HA GLN 90 3.175 13.646 -0.984 681 HB2 GLN 90 2HB GLN 90 1.950 15.209 1.315 682 HB3 GLN 90 3HB GLN 90 3.682 14.983 1.093 683 HG2 GLN 90 2HG GLN 90 1.878 16.368 -0.948 684 HG3 GLN 90 3HG GLN 90 2.794 17.193 0.302 685 HE21 GLN 90 1HE2 GLN 90 3.166 15.217 -2.687 686 HE22 GLN 90 2HE2 GLN 90 4.810 15.780 -2.985 687 HA PRO 91 HA PRO 91 3.322 10.039 1.605 688 HB2 PRO 91 2HB PRO 91 6.000 9.697 1.969 689 HB3 PRO 91 3HB PRO 91 5.188 9.431 0.397 690 HG2 PRO 91 2HG PRO 91 6.670 11.911 1.332 691 HG3 PRO 91 3HG PRO 91 6.844 11.041 -0.225 692 HD2 PRO 91 2HD PRO 91 5.277 13.262 0.035 693 HD3 PRO 91 3HD PRO 91 4.817 11.912 -1.047 694 H VAL 92 H VAL 92 3.298 9.540 3.725 695 HA VAL 92 HA VAL 92 4.120 11.619 5.728 696 HB VAL 92 HB VAL 92 2.161 9.395 6.353 697 HG11 VAL 92 1HG1 VAL 92 1.353 11.061 7.979 698 HG12 VAL 92 2HG1 VAL 92 3.077 10.762 8.194 699 HG13 VAL 92 3HG1 VAL 92 2.530 12.244 7.378 700 HG21 VAL 92 3HG2 VAL 92 1.452 12.075 5.052 701 HG22 VAL 92 1HG2 VAL 92 1.136 10.457 4.386 702 HG23 VAL 92 2HG2 VAL 92 0.289 10.984 5.837 703 H LYS 93 H LYS 93 4.075 8.119 5.070 704 HA LYS 93 HA LYS 93 6.189 7.552 7.070 705 HB2 LYS 93 2HB LYS 93 3.903 7.830 8.207 706 HB3 LYS 93 3HB LYS 93 3.356 6.428 7.288 707 HG2 LYS 93 2HG LYS 93 5.128 5.050 8.397 708 HG3 LYS 93 3HG LYS 93 5.618 6.494 9.315 709 HD2 LYS 93 2HD LYS 93 3.223 6.626 10.198 710 HD3 LYS 93 3HD LYS 93 2.881 5.130 9.333 711 HE2 LYS 93 2HE LYS 93 3.309 4.548 11.583 712 HE3 LYS 93 3HE LYS 93 4.686 3.995 10.623 713 HZ1 LYS 93 3HZ LYS 93 4.585 6.423 12.354 714 HZ2 LYS 93 1HZ LYS 93 5.868 6.046 11.395 715 HZ3 LYS 93 2HZ LYS 93 5.461 5.069 12.634 716 H ARG 94 H ARG 94 7.138 5.541 6.791 717 HA ARG 94 HA ARG 94 6.037 3.668 4.735 718 HB2 ARG 94 2HB ARG 94 7.996 5.002 3.873 719 HB3 ARG 94 3HB ARG 94 8.994 4.271 5.135 720 HG2 ARG 94 2HG ARG 94 8.449 1.999 4.191 721 HG3 ARG 94 3HG ARG 94 7.524 2.782 2.902 722 HD2 ARG 94 2HD ARG 94 10.500 3.168 3.447 723 HD3 ARG 94 3HD ARG 94 9.811 2.070 2.249 724 HE ARG 94 HE ARG 94 9.213 5.001 2.124 725 HH11 ARG 94 1HH2 ARG 94 10.808 2.285 0.548 726 HH12 ARG 94 2HH2 ARG 94 10.931 3.182 -0.961 727 HH21 ARG 94 1HH1 ARG 94 9.495 6.027 0.148 728 HH22 ARG 94 2HH1 ARG 94 10.266 5.131 -1.148 729 H ILE 95 H ILE 95 6.110 1.563 5.197 730 HA ILE 95 HA ILE 95 7.437 0.600 7.680 731 HB ILE 95 HB ILE 95 5.255 -1.077 7.538 732 HG12 ILE 95 2HG1 ILE 95 4.025 1.695 7.282 733 HG13 ILE 95 3HG1 ILE 95 4.198 0.639 5.884 734 HG21 ILE 95 1HG2 ILE 95 4.562 0.038 9.613 735 HG22 ILE 95 2HG2 ILE 95 6.315 -0.148 9.529 736 HG23 ILE 95 3HG2 ILE 95 5.577 1.440 9.214 737 HD11 ILE 95 3HD1 ILE 95 2.643 -0.132 8.371 738 HD12 ILE 95 1HD1 ILE 95 1.957 0.510 6.872 739 HD13 ILE 95 2HD1 ILE 95 2.791 -1.061 6.871 740 H VAL 96 H VAL 96 8.586 -1.184 7.468 741 HA VAL 96 HA VAL 96 8.422 -2.741 4.931 742 HB VAL 96 HB VAL 96 10.796 -3.080 5.046 743 HG11 VAL 96 1HG1 VAL 96 11.540 -0.891 4.336 744 HG12 VAL 96 2HG1 VAL 96 9.869 -1.117 3.801 745 HG13 VAL 96 3HG1 VAL 96 10.214 -0.094 5.207 746 HG21 VAL 96 3HG2 VAL 96 11.260 -2.871 7.457 747 HG22 VAL 96 1HG2 VAL 96 12.277 -1.775 6.518 748 HG23 VAL 96 2HG2 VAL 96 10.873 -1.136 7.393 749 H GLY 97 H GLY 97 8.533 -4.921 5.038 750 HA2 GLY 97 2HA GLY 97 8.501 -7.061 6.005 751 HA3 GLY 97 3HA GLY 97 8.783 -6.377 7.606 752 H ALA 98 H ALA 98 6.971 -8.204 7.653 753 HA ALA 98 HA ALA 98 4.357 -7.503 6.757 754 HB1 ALA 98 3HB ALA 98 5.236 -9.630 8.747 755 HB2 ALA 98 1HB ALA 98 3.647 -9.543 7.958 756 HB3 ALA 98 2HB ALA 98 5.097 -9.823 6.983 757 H LYS 99 H LYS 99 2.458 -7.121 7.887 758 HA LYS 99 HA LYS 99 2.566 -5.989 10.652 759 HB2 LYS 99 2HB LYS 99 0.928 -4.889 8.323 760 HB3 LYS 99 3HB LYS 99 0.934 -4.264 9.962 761 HG2 LYS 99 2HG LYS 99 3.284 -4.191 8.013 762 HG3 LYS 99 3HG LYS 99 2.179 -2.870 8.329 763 HD2 LYS 99 2HD LYS 99 4.012 -4.081 10.436 764 HD3 LYS 99 3HD LYS 99 4.397 -2.675 9.457 765 HE2 LYS 99 2HE LYS 99 2.458 -1.451 10.356 766 HE3 LYS 99 3HE LYS 99 1.970 -2.855 11.304 767 HZ1 LYS 99 3HZ LYS 99 3.244 -1.169 12.602 768 HZ2 LYS 99 1HZ LYS 99 4.563 -1.446 11.682 769 HZ3 LYS 99 2HZ LYS 99 3.978 -2.642 12.622 770 H GLY 100 H GLY 100 0.666 -6.366 11.884 771 HA2 GLY 100 2HA GLY 100 -1.379 -8.255 10.818 772 HA3 GLY 100 3HA GLY 100 -1.152 -7.800 12.509 773 H LYS 101 H LYS 101 -3.678 -7.587 11.308 774 HA LYS 101 HA LYS 101 -4.358 -5.113 10.152 775 HB2 LYS 101 2HB LYS 101 -5.654 -7.287 10.397 776 HB3 LYS 101 3HB LYS 101 -6.040 -6.808 12.055 777 HG2 LYS 101 2HG LYS 101 -7.296 -4.873 11.249 778 HG3 LYS 101 3HG LYS 101 -6.648 -5.108 9.615 779 HD2 LYS 101 2HD LYS 101 -8.891 -5.917 9.612 780 HD3 LYS 101 3HD LYS 101 -7.770 -7.288 9.451 781 HE2 LYS 101 2HE LYS 101 -8.076 -7.889 11.790 782 HE3 LYS 101 3HE LYS 101 -9.033 -6.432 12.090 783 HZ1 LYS 101 3HZ LYS 101 -10.415 -8.443 11.727 784 HZ2 LYS 101 1HZ LYS 101 -9.825 -8.585 10.197 785 HZ3 LYS 101 2HZ LYS 101 -10.741 -7.290 10.608 786 H ALA 102 H ALA 102 -3.973 -5.884 13.560 787 HA ALA 102 HA ALA 102 -5.025 -3.352 14.542 788 HB1 ALA 102 3HB ALA 102 -3.241 -5.439 15.880 789 HB2 ALA 102 1HB ALA 102 -4.100 -4.116 16.697 790 HB3 ALA 102 2HB ALA 102 -5.021 -5.408 15.904 791 H ALA 103 H ALA 103 -1.768 -4.568 13.723 792 HA ALA 103 HA ALA 103 -0.363 -2.217 14.639 793 HB1 ALA 103 3HB ALA 103 1.555 -3.243 13.564 794 HB2 ALA 103 1HB ALA 103 0.650 -4.478 14.449 795 HB3 ALA 103 2HB ALA 103 0.512 -4.377 12.676 796 H LEU 104 H LEU 104 -1.479 -3.275 11.350 797 HA LEU 104 HA LEU 104 -0.514 -0.954 9.974 798 HB2 LEU 104 2HB LEU 104 -1.169 -3.102 8.932 799 HB3 LEU 104 3HB LEU 104 -2.855 -2.785 9.331 800 HG LEU 104 HG LEU 104 -2.908 -0.867 7.805 801 HD11 LEU 104 1HD1 LEU 104 0.035 -1.497 7.299 802 HD12 LEU 104 2HD1 LEU 104 -0.634 0.014 7.964 803 HD13 LEU 104 3HD1 LEU 104 -0.955 -0.424 6.288 804 HD21 LEU 104 3HD2 LEU 104 -2.620 -2.060 5.691 805 HD22 LEU 104 1HD2 LEU 104 -3.290 -3.167 6.899 806 HD23 LEU 104 2HD2 LEU 104 -1.572 -3.264 6.472 807 H LEU 105 H LEU 105 -3.689 -1.578 11.575 808 HA LEU 105 HA LEU 105 -4.781 1.009 11.045 809 HB2 LEU 105 2HB LEU 105 -5.992 -1.037 11.755 810 HB3 LEU 105 3HB LEU 105 -5.298 -0.896 13.357 811 HG LEU 105 HG LEU 105 -7.684 -0.216 13.064 812 HD11 LEU 105 1HD1 LEU 105 -7.683 1.623 14.561 813 HD12 LEU 105 2HD1 LEU 105 -6.041 2.097 14.124 814 HD13 LEU 105 3HD1 LEU 105 -6.324 0.575 14.999 815 HD21 LEU 105 3HD2 LEU 105 -7.457 0.951 10.884 816 HD22 LEU 105 1HD2 LEU 105 -6.604 2.279 11.709 817 HD23 LEU 105 2HD2 LEU 105 -8.289 1.919 12.115 818 H ARG 106 H ARG 106 -2.656 -0.110 13.751 819 HA ARG 106 HA ARG 106 -2.599 2.376 15.159 820 HB2 ARG 106 2HB ARG 106 -1.731 0.123 15.944 821 HB3 ARG 106 3HB ARG 106 -0.320 0.373 14.925 822 HG2 ARG 106 2HG ARG 106 -0.615 2.744 16.532 823 HG3 ARG 106 3HG ARG 106 -0.904 1.364 17.581 824 HD2 ARG 106 2HD ARG 106 1.424 1.758 17.728 825 HD3 ARG 106 3HD ARG 106 1.254 0.336 16.710 826 HE ARG 106 HE ARG 106 2.188 1.507 14.921 827 HH11 ARG 106 1HH2 ARG 106 1.247 3.959 17.327 828 HH12 ARG 106 2HH2 ARG 106 2.098 5.201 16.413 829 HH21 ARG 106 1HH1 ARG 106 3.257 3.234 13.962 830 HH22 ARG 106 2HH1 ARG 106 3.224 4.805 14.802 831 H GLU 107 H GLU 107 -0.499 1.264 12.446 832 HA GLU 107 HA GLU 107 1.038 3.704 12.298 833 HB2 GLU 107 2HB GLU 107 0.304 2.061 9.860 834 HB3 GLU 107 3HB GLU 107 1.715 3.068 10.122 835 HG2 GLU 107 2HG GLU 107 1.110 0.359 11.138 836 HG3 GLU 107 3HG GLU 107 2.484 0.903 10.223 837 H LEU 108 H LEU 108 -2.126 2.822 10.925 838 HA LEU 108 HA LEU 108 -2.403 5.242 9.425 839 HB2 LEU 108 2HB LEU 108 -3.616 3.022 9.163 840 HB3 LEU 108 3HB LEU 108 -4.598 3.445 10.545 841 HG LEU 108 HG LEU 108 -5.543 3.777 8.246 842 HD11 LEU 108 1HD1 LEU 108 -6.821 5.749 8.801 843 HD12 LEU 108 2HD1 LEU 108 -5.640 6.240 10.016 844 HD13 LEU 108 3HD1 LEU 108 -6.587 4.753 10.246 845 HD21 LEU 108 3HD2 LEU 108 -5.098 5.794 6.999 846 HD22 LEU 108 1HD2 LEU 108 -3.565 4.937 7.220 847 HD23 LEU 108 2HD2 LEU 108 -3.941 6.365 8.207 848 H SER 109 H SER 109 -3.395 4.419 12.789 849 HA SER 109 HA SER 109 -4.468 7.005 13.443 850 HB2 SER 109 2HB SER 109 -3.179 4.874 15.191 851 HB3 SER 109 3HB SER 109 -4.000 6.323 15.798 852 HG SER 109 HG SER 109 -5.417 4.532 15.727 853 H ASP 110 H ASP 110 -1.155 5.817 13.227 854 HA ASP 110 HA ASP 110 0.146 7.922 14.614 855 HB2 ASP 110 2HB ASP 110 0.941 5.572 13.687 856 HB3 ASP 110 3HB ASP 110 1.408 6.502 12.269 857 H VAL 111 H VAL 111 -1.531 8.179 11.654 858 HA VAL 111 HA VAL 111 0.191 9.766 10.087 859 HB VAL 111 HB VAL 111 -1.843 8.479 9.398 860 HG11 VAL 111 1HG1 VAL 111 -3.478 9.574 10.973 861 HG12 VAL 111 2HG1 VAL 111 -3.363 11.050 10.002 862 HG13 VAL 111 3HG1 VAL 111 -4.004 9.550 9.284 863 HG21 VAL 111 3HG2 VAL 111 -1.680 11.226 8.148 864 HG22 VAL 111 1HG2 VAL 111 -0.599 9.848 7.811 865 HG23 VAL 111 2HG2 VAL 111 -2.316 9.733 7.440 866 H VAL 112 H VAL 112 -0.077 11.886 9.331 867 HA VAL 112 HA VAL 112 -0.255 13.906 11.463 868 HB VAL 112 HB VAL 112 0.550 14.144 8.546 869 HG11 VAL 112 1HG1 VAL 112 -0.219 16.345 9.359 870 HG12 VAL 112 2HG1 VAL 112 0.821 16.189 10.797 871 HG13 VAL 112 3HG1 VAL 112 1.530 16.325 9.177 872 HG21 VAL 112 3HG2 VAL 112 2.144 12.807 9.922 873 HG22 VAL 112 1HG2 VAL 112 2.839 14.360 9.457 874 HG23 VAL 112 2HG2 VAL 112 2.220 14.125 11.106 875 HA PRO 113 HA PRO 113 -4.461 15.099 10.413 876 HB2 PRO 113 2HB PRO 113 -3.580 17.855 11.278 877 HB3 PRO 113 3HB PRO 113 -5.056 16.946 11.733 878 HG2 PRO 113 2HG PRO 113 -2.977 17.072 13.449 879 HG3 PRO 113 3HG PRO 113 -3.795 15.496 13.173 880 HD2 PRO 113 2HD PRO 113 -1.232 16.528 11.920 881 HD3 PRO 113 3HD PRO 113 -1.568 14.938 12.676 882 H ASN 114 H ASN 114 -5.743 16.499 9.003 883 HA ASN 114 HA ASN 114 -4.437 17.315 6.524 884 HB2 ASN 114 2HB ASN 114 -6.705 16.267 6.666 885 HB3 ASN 114 3HB ASN 114 -7.302 17.698 7.507 886 HD21 ASN 114 1HD2 ASN 114 -8.348 19.166 6.162 887 HD22 ASN 114 2HD2 ASN 114 -8.019 19.278 4.437 888 H LEU 115 H LEU 115 -5.062 18.909 9.502 889 HA LEU 115 HA LEU 115 -4.939 20.965 10.308 890 HB2 LEU 115 2HB LEU 115 -2.654 20.588 9.275 891 HB3 LEU 115 3HB LEU 115 -3.150 21.643 7.959 892 HG LEU 115 HG LEU 115 -3.338 23.547 9.539 893 HD11 LEU 115 1HD1 LEU 115 -2.438 21.531 11.646 894 HD12 LEU 115 2HD1 LEU 115 -3.975 22.430 11.625 895 HD13 LEU 115 3HD1 LEU 115 -2.459 23.295 11.860 896 HD21 LEU 115 3HD2 LEU 115 -0.722 22.021 9.817 897 HD22 LEU 115 1HD2 LEU 115 -0.959 23.770 10.042 898 HD23 LEU 115 2HD2 LEU 115 -1.188 23.048 8.442 899 H ASN 116 H ASN 116 -6.986 20.422 8.136 900 HA ASN 116 HA ASN 116 -8.321 23.012 8.271 901 HB2 ASN 116 2HB ASN 116 -6.996 23.231 6.171 902 HB3 ASN 116 3HB ASN 116 -7.656 21.708 5.582 903 HD21 ASN 116 1HD2 ASN 116 -8.655 24.987 6.661 904 HD22 ASN 116 2HD2 ASN 116 -10.029 25.071 5.567 Start of MODEL 20 1 H1 MET 1 1H MET 1 -17.152 -17.292 0.406 2 HA MET 1 HA MET 1 -17.437 -14.944 -1.339 3 HB2 MET 1 2HB MET 1 -15.361 -16.217 -1.846 4 HB3 MET 1 3HB MET 1 -16.328 -17.661 -2.153 5 HG2 MET 1 2HG MET 1 -15.691 -16.470 -4.212 6 HG3 MET 1 3HG MET 1 -17.439 -16.550 -4.036 7 HE1 MET 1 3HE MET 1 -16.612 -13.184 -5.984 8 HE2 MET 1 1HE MET 1 -15.626 -14.661 -6.008 9 HE3 MET 1 2HE MET 1 -17.398 -14.776 -6.086 10 H THR 2 H THR 2 -19.639 -15.041 -0.426 11 HA THR 2 HA THR 2 -21.385 -17.259 -1.240 12 HB THR 2 HB THR 2 -22.122 -14.574 -0.026 13 HG1 THR 2 HG1 THR 2 -22.082 -15.722 1.902 14 HG21 THR 2 3HG2 THR 2 -24.067 -15.785 -0.999 15 HG22 THR 2 1HG2 THR 2 -24.127 -15.814 0.766 16 HG23 THR 2 2HG2 THR 2 -23.592 -17.258 -0.126 17 H ASP 3 H ASP 3 -21.074 -17.287 -3.440 18 HA ASP 3 HA ASP 3 -21.386 -16.970 -5.614 19 HB2 ASP 3 2HB ASP 3 -23.756 -16.811 -5.035 20 HB3 ASP 3 3HB ASP 3 -23.618 -15.058 -4.890 21 H SER 4 H SER 4 -21.536 -13.685 -4.162 22 HA SER 4 HA SER 4 -19.051 -12.956 -5.494 23 HB2 SER 4 2HB SER 4 -20.764 -12.433 -7.256 24 HB3 SER 4 3HB SER 4 -21.544 -11.326 -6.114 25 HG SER 4 HG SER 4 -18.950 -11.176 -7.280 26 H GLU 5 H GLU 5 -17.909 -11.690 -4.145 27 HA GLU 5 HA GLU 5 -19.201 -9.819 -2.266 28 HB2 GLU 5 2HB GLU 5 -17.259 -12.012 -1.424 29 HB3 GLU 5 3HB GLU 5 -17.647 -10.591 -0.454 30 HG2 GLU 5 2HG GLU 5 -20.011 -11.262 -0.433 31 HG3 GLU 5 3HG GLU 5 -19.588 -12.723 -1.329 32 H LYS 6 H LYS 6 -18.070 -7.996 -2.051 33 HA LYS 6 HA LYS 6 -15.546 -7.663 -3.628 34 HB2 LYS 6 2HB LYS 6 -17.811 -5.737 -2.974 35 HB3 LYS 6 3HB LYS 6 -16.243 -5.202 -3.555 36 HG2 LYS 6 2HG LYS 6 -17.633 -5.244 -5.426 37 HG3 LYS 6 3HG LYS 6 -16.513 -6.592 -5.611 38 HD2 LYS 6 2HD LYS 6 -18.271 -8.195 -5.052 39 HD3 LYS 6 3HD LYS 6 -19.379 -6.877 -4.595 40 HE2 LYS 6 2HE LYS 6 -19.285 -6.026 -6.935 41 HE3 LYS 6 3HE LYS 6 -18.205 -7.357 -7.373 42 HZ1 LYS 6 3HZ LYS 6 -20.517 -7.856 -7.934 43 HZ2 LYS 6 1HZ LYS 6 -20.988 -7.692 -6.380 44 HZ3 LYS 6 2HZ LYS 6 -19.985 -8.915 -6.815 45 H SER 7 H SER 7 -13.904 -6.362 -2.919 46 HA SER 7 HA SER 7 -13.782 -5.574 -0.037 47 HB2 SER 7 2HB SER 7 -11.498 -6.809 -1.625 48 HB3 SER 7 3HB SER 7 -11.427 -6.192 0.034 49 HG SER 7 HG SER 7 -12.962 -8.399 -0.927 50 H ALA 8 H ALA 8 -12.493 -3.704 0.381 51 HA ALA 8 HA ALA 8 -12.722 -1.812 -1.846 52 HB1 ALA 8 3HB ALA 8 -12.144 -1.352 1.083 53 HB2 ALA 8 1HB ALA 8 -12.598 -0.115 -0.104 54 HB3 ALA 8 2HB ALA 8 -13.757 -1.382 0.339 55 H THR 9 H THR 9 -10.531 -3.544 -2.272 56 HA THR 9 HA THR 9 -8.105 -1.850 -1.917 57 HB THR 9 HB THR 9 -6.887 -3.880 -2.733 58 HG1 THR 9 HG1 THR 9 -8.022 -5.825 -2.719 59 HG21 THR 9 3HG2 THR 9 -8.610 -4.340 -0.259 60 HG22 THR 9 1HG2 THR 9 -7.087 -3.424 -0.310 61 HG23 THR 9 2HG2 THR 9 -7.084 -5.160 -0.652 62 H ILE 10 H ILE 10 -6.738 -1.376 -3.693 63 HA ILE 10 HA ILE 10 -7.872 -1.774 -6.428 64 HB ILE 10 HB ILE 10 -7.320 0.446 -7.121 65 HG12 ILE 10 2HG1 ILE 10 -6.509 1.091 -4.257 66 HG13 ILE 10 3HG1 ILE 10 -5.402 0.881 -5.617 67 HG21 ILE 10 1HG2 ILE 10 -9.115 1.654 -6.071 68 HG22 ILE 10 2HG2 ILE 10 -9.571 -0.048 -6.137 69 HG23 ILE 10 3HG2 ILE 10 -9.014 0.661 -4.604 70 HD11 ILE 10 3HD1 ILE 10 -5.709 3.236 -5.252 71 HD12 ILE 10 1HD1 ILE 10 -6.469 2.796 -6.792 72 HD13 ILE 10 2HD1 ILE 10 -7.468 3.090 -5.349 73 H LYS 11 H LYS 11 -6.322 -1.402 -8.176 74 HA LYS 11 HA LYS 11 -3.505 -2.189 -7.498 75 HB2 LYS 11 2HB LYS 11 -5.021 -2.627 -10.103 76 HB3 LYS 11 3HB LYS 11 -3.384 -3.154 -9.749 77 HG2 LYS 11 2HG LYS 11 -5.959 -4.181 -8.471 78 HG3 LYS 11 3HG LYS 11 -4.975 -5.017 -9.654 79 HD2 LYS 11 2HD LYS 11 -4.190 -4.346 -6.790 80 HD3 LYS 11 3HD LYS 11 -4.633 -5.931 -7.399 81 HE2 LYS 11 2HE LYS 11 -2.180 -4.339 -8.293 82 HE3 LYS 11 3HE LYS 11 -2.169 -5.635 -7.098 83 HZ1 LYS 11 3HZ LYS 11 -2.964 -5.996 -9.934 84 HZ2 LYS 11 1HZ LYS 11 -2.907 -7.181 -8.804 85 HZ3 LYS 11 2HZ LYS 11 -1.532 -6.436 -9.293 86 H VAL 12 H VAL 12 -1.834 -0.986 -8.360 87 HA VAL 12 HA VAL 12 -2.502 1.367 -10.078 88 HB VAL 12 HB VAL 12 -1.006 2.798 -8.745 89 HG11 VAL 12 1HG1 VAL 12 -3.450 2.888 -8.459 90 HG12 VAL 12 2HG1 VAL 12 -3.352 1.704 -7.147 91 HG13 VAL 12 3HG1 VAL 12 -2.589 3.295 -6.964 92 HG21 VAL 12 3HG2 VAL 12 -0.412 2.248 -6.443 93 HG22 VAL 12 1HG2 VAL 12 -1.123 0.633 -6.601 94 HG23 VAL 12 2HG2 VAL 12 0.319 1.069 -7.541 95 H THR 13 H THR 13 -0.834 2.255 -11.284 96 HA THR 13 HA THR 13 1.837 1.025 -11.368 97 HB THR 13 HB THR 13 1.802 0.851 -13.833 98 HG1 THR 13 HG1 THR 13 -0.223 0.817 -14.877 99 HG21 THR 13 3HG2 THR 13 1.335 -1.186 -12.437 100 HG22 THR 13 1HG2 THR 13 0.649 -1.241 -14.070 101 HG23 THR 13 2HG2 THR 13 -0.402 -0.899 -12.679 102 H ASP 14 H ASP 14 3.359 2.392 -12.572 103 HA ASP 14 HA ASP 14 3.399 4.966 -11.751 104 HB2 ASP 14 2HB ASP 14 5.319 3.713 -12.628 105 HB3 ASP 14 3HB ASP 14 4.674 3.818 -14.263 106 H ALA 15 H ALA 15 1.932 3.985 -14.853 107 HA ALA 15 HA ALA 15 1.669 6.637 -15.935 108 HB1 ALA 15 3HB ALA 15 0.212 4.042 -16.603 109 HB2 ALA 15 1HB ALA 15 0.275 5.499 -17.618 110 HB3 ALA 15 2HB ALA 15 1.760 4.585 -17.297 111 H SER 16 H SER 16 -0.252 4.964 -13.563 112 HA SER 16 HA SER 16 -2.464 6.981 -13.794 113 HB2 SER 16 2HB SER 16 -2.687 4.097 -12.868 114 HB3 SER 16 3HB SER 16 -3.993 5.297 -12.951 115 HG SER 16 HG SER 16 -2.502 4.213 -15.125 116 H PHE 17 H PHE 17 -0.008 5.721 -11.757 117 HA PHE 17 HA PHE 17 -0.983 5.668 -9.215 118 HB2 PHE 17 2HB PHE 17 1.319 5.101 -10.015 119 HB3 PHE 17 3HB PHE 17 1.698 6.813 -10.120 120 HD1 PHE 17 HD2 PHE 17 2.025 8.153 -8.032 121 HD2 PHE 17 HD1 PHE 17 1.123 3.936 -7.913 122 HE1 PHE 17 HE2 PHE 17 2.701 8.070 -5.643 123 HE2 PHE 17 HE1 PHE 17 1.816 3.857 -5.546 124 HZ PHE 17 HZ PHE 17 2.609 5.920 -4.395 125 H ALA 18 H ALA 18 0.066 8.663 -10.909 126 HA ALA 18 HA ALA 18 -0.276 10.313 -8.621 127 HB1 ALA 18 3HB ALA 18 -0.048 12.183 -10.205 128 HB2 ALA 18 1HB ALA 18 1.162 10.924 -10.511 129 HB3 ALA 18 2HB ALA 18 -0.265 11.066 -11.572 130 H THR 19 H THR 19 -2.626 9.239 -11.037 131 HA THR 19 HA THR 19 -4.715 11.091 -10.060 132 HB THR 19 HB THR 19 -4.991 8.690 -11.914 133 HG1 THR 19 HG1 THR 19 -4.787 10.203 -13.570 134 HG21 THR 19 3HG2 THR 19 -6.704 11.190 -11.524 135 HG22 THR 19 1HG2 THR 19 -7.160 9.522 -11.105 136 HG23 THR 19 2HG2 THR 19 -6.943 9.971 -12.799 137 H ASP 20 H ASP 20 -3.735 7.702 -9.567 138 HA ASP 20 HA ASP 20 -6.180 7.052 -8.090 139 HB2 ASP 20 2HB ASP 20 -3.569 5.550 -8.509 140 HB3 ASP 20 3HB ASP 20 -4.943 4.904 -7.611 141 H VAL 21 H VAL 21 -2.814 7.708 -7.147 142 HA VAL 21 HA VAL 21 -3.519 7.418 -4.269 143 HB VAL 21 HB VAL 21 -0.787 7.604 -5.587 144 HG11 VAL 21 1HG1 VAL 21 -1.575 6.708 -2.790 145 HG12 VAL 21 2HG1 VAL 21 0.056 6.725 -3.484 146 HG13 VAL 21 3HG1 VAL 21 -0.782 8.247 -3.188 147 HG21 VAL 21 3HG2 VAL 21 -1.858 5.558 -6.351 148 HG22 VAL 21 1HG2 VAL 21 -0.678 5.144 -5.114 149 HG23 VAL 21 2HG2 VAL 21 -2.402 5.170 -4.701 150 H LEU 22 H LEU 22 -1.700 9.690 -6.385 151 HA LEU 22 HA LEU 22 -1.463 11.587 -4.206 152 HB2 LEU 22 2HB LEU 22 -0.693 12.039 -7.088 153 HB3 LEU 22 3HB LEU 22 -0.130 12.915 -5.674 154 HG LEU 22 HG LEU 22 0.452 9.994 -6.308 155 HD11 LEU 22 1HD1 LEU 22 2.265 12.434 -6.331 156 HD12 LEU 22 2HD1 LEU 22 1.629 11.599 -7.765 157 HD13 LEU 22 3HD1 LEU 22 2.745 10.759 -6.677 158 HD21 LEU 22 3HD2 LEU 22 1.532 11.720 -4.042 159 HD22 LEU 22 1HD2 LEU 22 2.064 10.078 -4.448 160 HD23 LEU 22 2HD2 LEU 22 0.424 10.342 -3.853 161 H SER 23 H SER 23 -3.849 11.201 -6.662 162 HA SER 23 HA SER 23 -4.953 13.916 -6.154 163 HB2 SER 23 2HB SER 23 -5.817 11.927 -8.238 164 HB3 SER 23 3HB SER 23 -6.406 13.578 -8.030 165 HG SER 23 HG SER 23 -3.736 12.785 -8.630 166 H SER 24 H SER 24 -5.132 11.185 -4.468 167 HA SER 24 HA SER 24 -7.926 10.585 -4.290 168 HB2 SER 24 2HB SER 24 -6.136 9.051 -3.573 169 HB3 SER 24 3HB SER 24 -5.787 10.128 -2.199 170 HG SER 24 HG SER 24 -7.252 8.481 -1.614 171 H ASN 25 H ASN 25 -9.487 11.169 -2.845 172 HA ASN 25 HA ASN 25 -9.233 13.755 -1.433 173 HB2 ASN 25 2HB ASN 25 -11.579 11.893 -1.990 174 HB3 ASN 25 3HB ASN 25 -11.715 13.389 -1.075 175 HD21 ASN 25 1HD2 ASN 25 -13.240 12.974 -3.366 176 HD22 ASN 25 2HD2 ASN 25 -12.686 14.116 -4.581 177 H LYS 26 H LYS 26 -8.344 10.735 -0.585 178 HA LYS 26 HA LYS 26 -8.596 11.246 2.314 179 HB2 LYS 26 2HB LYS 26 -9.199 8.777 2.640 180 HB3 LYS 26 3HB LYS 26 -10.478 9.839 2.077 181 HG2 LYS 26 2HG LYS 26 -10.382 8.982 -0.140 182 HG3 LYS 26 3HG LYS 26 -8.847 8.142 0.150 183 HD2 LYS 26 2HD LYS 26 -9.821 6.439 1.381 184 HD3 LYS 26 3HD LYS 26 -11.239 7.397 1.840 185 HE2 LYS 26 2HE LYS 26 -12.190 7.265 -0.352 186 HE3 LYS 26 3HE LYS 26 -10.702 6.597 -1.039 187 HZ1 LYS 26 3HZ LYS 26 -12.467 4.916 -0.587 188 HZ2 LYS 26 1HZ LYS 26 -12.276 5.147 1.028 189 HZ3 LYS 26 2HZ LYS 26 -11.031 4.581 0.106 190 HA PRO 27 HA PRO 27 -4.486 9.369 2.693 191 HB2 PRO 27 2HB PRO 27 -5.939 7.506 4.593 192 HB3 PRO 27 3HB PRO 27 -4.307 8.212 4.772 193 HG2 PRO 27 2HG PRO 27 -6.402 9.332 6.051 194 HG3 PRO 27 3HG PRO 27 -5.233 10.385 5.198 195 HD2 PRO 27 2HD PRO 27 -7.979 9.541 4.310 196 HD3 PRO 27 3HD PRO 27 -7.159 11.106 4.120 197 H VAL 28 H VAL 28 -3.316 7.604 1.952 198 HA VAL 28 HA VAL 28 -4.761 5.250 0.885 199 HB VAL 28 HB VAL 28 -2.888 6.883 -0.859 200 HG11 VAL 28 1HG1 VAL 28 -3.622 5.279 -2.643 201 HG12 VAL 28 2HG1 VAL 28 -2.705 4.486 -1.366 202 HG13 VAL 28 3HG1 VAL 28 -4.476 4.331 -1.415 203 HG21 VAL 28 3HG2 VAL 28 -4.890 7.204 -2.316 204 HG22 VAL 28 1HG2 VAL 28 -5.902 6.481 -1.045 205 HG23 VAL 28 2HG2 VAL 28 -5.039 8.011 -0.757 206 H LEU 29 H LEU 29 -3.705 3.408 1.263 207 HA LEU 29 HA LEU 29 -0.842 3.416 2.131 208 HB2 LEU 29 2HB LEU 29 -2.842 2.210 3.374 209 HB3 LEU 29 3HB LEU 29 -2.825 1.126 2.026 210 HG LEU 29 HG LEU 29 -1.734 0.112 3.853 211 HD11 LEU 29 1HD1 LEU 29 0.595 0.855 2.077 212 HD12 LEU 29 2HD1 LEU 29 -0.711 -0.240 1.545 213 HD13 LEU 29 3HD1 LEU 29 0.287 -0.656 2.935 214 HD21 LEU 29 3HD2 LEU 29 0.225 2.443 3.897 215 HD22 LEU 29 1HD2 LEU 29 0.321 0.986 4.902 216 HD23 LEU 29 2HD2 LEU 29 -1.035 2.096 5.111 217 H VAL 30 H VAL 30 0.690 2.830 0.577 218 HA VAL 30 HA VAL 30 -0.217 1.212 -1.787 219 HB VAL 30 HB VAL 30 2.105 3.134 -1.597 220 HG11 VAL 30 1HG1 VAL 30 1.185 1.444 -3.968 221 HG12 VAL 30 2HG1 VAL 30 2.533 2.610 -3.934 222 HG13 VAL 30 3HG1 VAL 30 2.648 1.132 -3.007 223 HG21 VAL 30 3HG2 VAL 30 -0.073 4.270 -1.885 224 HG22 VAL 30 1HG2 VAL 30 0.921 4.386 -3.337 225 HG23 VAL 30 2HG2 VAL 30 -0.425 3.234 -3.285 226 H ASP 31 H ASP 31 0.416 -0.833 -1.750 227 HA ASP 31 HA ASP 31 2.857 -1.608 -0.187 228 HB2 ASP 31 2HB ASP 31 0.729 -2.474 0.665 229 HB3 ASP 31 3HB ASP 31 0.412 -3.252 -0.871 230 H PHE 32 H PHE 32 4.559 -2.204 -1.264 231 HA PHE 32 HA PHE 32 4.464 -2.968 -4.126 232 HB2 PHE 32 2HB PHE 32 6.897 -2.490 -2.368 233 HB3 PHE 32 3HB PHE 32 6.830 -2.528 -4.121 234 HD1 PHE 32 HD2 PHE 32 5.530 -0.651 -5.325 235 HD2 PHE 32 HD1 PHE 32 6.631 -0.467 -1.175 236 HE1 PHE 32 HE2 PHE 32 4.978 1.771 -5.287 237 HE2 PHE 32 HE1 PHE 32 6.134 1.955 -1.142 238 HZ PHE 32 HZ PHE 32 5.239 3.065 -3.182 239 H TRP 33 H TRP 33 4.457 -5.090 -4.679 240 HA TRP 33 HA TRP 33 6.015 -7.029 -3.103 241 HB2 TRP 33 2HB TRP 33 4.259 -8.479 -2.577 242 HB3 TRP 33 3HB TRP 33 3.796 -6.902 -1.997 243 HD1 TRP 33 HD1 TRP 33 2.886 -6.606 -5.473 244 HE1 TRP 33 HE1 TRP 33 0.538 -7.296 -5.982 245 HE3 TRP 33 HE3 TRP 33 1.888 -8.968 -1.063 246 HZ2 TRP 33 HZ2 TRP 33 -1.643 -8.723 -4.568 247 HZ3 TRP 33 HZ3 TRP 33 -0.377 -9.852 -0.603 248 HH2 TRP 33 HH2 TRP 33 -2.161 -9.695 -2.312 249 H ALA 34 H ALA 34 5.808 -9.291 -3.944 250 HA ALA 34 HA ALA 34 5.589 -9.415 -6.915 251 HB1 ALA 34 3HB ALA 34 7.953 -9.506 -6.137 252 HB2 ALA 34 1HB ALA 34 7.553 -10.907 -5.120 253 HB3 ALA 34 2HB ALA 34 7.433 -11.021 -6.891 254 H THR 35 H THR 35 5.324 -11.844 -7.578 255 HA THR 35 HA THR 35 2.854 -12.788 -6.500 256 HB THR 35 HB THR 35 4.748 -14.352 -8.284 257 HG1 THR 35 HG1 THR 35 3.771 -13.250 -9.988 258 HG21 THR 35 3HG2 THR 35 2.720 -15.600 -7.638 259 HG22 THR 35 1HG2 THR 35 2.625 -15.128 -9.337 260 HG23 THR 35 2HG2 THR 35 1.699 -14.224 -8.117 261 H TRP 36 H TRP 36 6.171 -13.706 -5.778 262 HA TRP 36 HA TRP 36 5.413 -16.344 -4.720 263 HB2 TRP 36 2HB TRP 36 7.871 -16.699 -4.817 264 HB3 TRP 36 3HB TRP 36 7.162 -16.213 -6.345 265 HD1 TRP 36 HD1 TRP 36 8.039 -14.064 -7.478 266 HE1 TRP 36 HE1 TRP 36 9.834 -12.308 -6.952 267 HE3 TRP 36 HE3 TRP 36 9.242 -15.514 -2.705 268 HZ2 TRP 36 HZ2 TRP 36 11.453 -11.519 -4.703 269 HZ3 TRP 36 HZ3 TRP 36 10.906 -14.220 -1.388 270 HH2 TRP 36 HH2 TRP 36 12.004 -12.219 -2.367 271 H CYS 37 H CYS 37 6.051 -13.295 -3.232 272 HA CYS 37 HA CYS 37 7.777 -14.275 -1.183 273 HB2 CYS 37 2HB CYS 37 7.360 -11.896 -0.239 274 HB3 CYS 37 3HB CYS 37 8.275 -12.176 -1.705 275 H GLY 38 H GLY 38 7.515 -15.132 0.709 276 HA2 GLY 38 2HA GLY 38 5.100 -16.031 1.800 277 HA3 GLY 38 3HA GLY 38 6.614 -15.863 2.689 278 HA PRO 39 HA PRO 39 4.946 -12.614 5.131 279 HB2 PRO 39 2HB PRO 39 6.590 -10.407 5.033 280 HB3 PRO 39 3HB PRO 39 7.006 -11.937 5.858 281 HG2 PRO 39 2HG PRO 39 7.776 -11.069 3.057 282 HG3 PRO 39 3HG PRO 39 8.843 -11.717 4.345 283 HD2 PRO 39 2HD PRO 39 7.892 -13.318 2.402 284 HD3 PRO 39 3HD PRO 39 7.953 -13.913 4.087 285 H CYS 40 H CYS 40 5.479 -11.660 1.756 286 HA CYS 40 HA CYS 40 3.736 -9.336 1.925 287 HB2 CYS 40 2HB CYS 40 4.207 -8.937 -0.256 288 HB3 CYS 40 3HB CYS 40 5.662 -9.744 0.294 289 H LYS 41 H LYS 41 3.280 -12.778 0.955 290 HA LYS 41 HA LYS 41 0.414 -12.363 0.478 291 HB2 LYS 41 2HB LYS 41 2.069 -14.892 0.793 292 HB3 LYS 41 3HB LYS 41 0.354 -14.872 0.377 293 HG2 LYS 41 2HG LYS 41 2.523 -13.507 -1.274 294 HG3 LYS 41 3HG LYS 41 1.920 -15.123 -1.588 295 HD2 LYS 41 2HD LYS 41 -0.241 -14.354 -2.199 296 HD3 LYS 41 3HD LYS 41 0.019 -12.732 -1.565 297 HE2 LYS 41 2HE LYS 41 1.657 -13.897 -3.844 298 HE3 LYS 41 3HE LYS 41 0.160 -12.994 -4.098 299 HZ1 LYS 41 3HZ LYS 41 2.196 -11.574 -4.218 300 HZ2 LYS 41 1HZ LYS 41 2.513 -11.889 -2.667 301 HZ3 LYS 41 2HZ LYS 41 1.145 -11.069 -3.059 302 H MET 42 H MET 42 2.303 -13.204 3.346 303 HA MET 42 HA MET 42 0.051 -13.797 5.018 304 HB2 MET 42 2HB MET 42 2.782 -12.639 5.653 305 HB3 MET 42 3HB MET 42 1.590 -12.995 6.893 306 HG2 MET 42 2HG MET 42 2.714 -15.029 4.936 307 HG3 MET 42 3HG MET 42 3.242 -14.819 6.598 308 HE1 MET 42 3HE MET 42 0.494 -14.480 8.273 309 HE2 MET 42 1HE MET 42 0.240 -16.184 8.691 310 HE3 MET 42 2HE MET 42 1.881 -15.505 8.718 311 H VAL 43 H VAL 43 1.260 -10.586 3.950 312 HA VAL 43 HA VAL 43 -0.688 -9.251 5.710 313 HB VAL 43 HB VAL 43 -0.007 -7.164 4.717 314 HG11 VAL 43 1HG1 VAL 43 2.181 -7.052 5.717 315 HG12 VAL 43 2HG1 VAL 43 1.111 -8.075 6.704 316 HG13 VAL 43 3HG1 VAL 43 2.344 -8.825 5.667 317 HG21 VAL 43 3HG2 VAL 43 2.140 -8.671 3.222 318 HG22 VAL 43 1HG2 VAL 43 0.704 -7.962 2.449 319 HG23 VAL 43 2HG2 VAL 43 1.884 -6.921 3.261 320 H ALA 44 H ALA 44 -1.060 -10.848 2.718 321 HA ALA 44 HA ALA 44 -2.810 -9.119 1.368 322 HB1 ALA 44 3HB ALA 44 -1.874 -11.197 0.419 323 HB2 ALA 44 1HB ALA 44 -2.951 -12.156 1.444 324 HB3 ALA 44 2HB ALA 44 -3.630 -11.083 0.209 325 HA PRO 45 HA PRO 45 -6.613 -10.706 3.852 326 HB2 PRO 45 2HB PRO 45 -6.240 -11.822 6.343 327 HB3 PRO 45 3HB PRO 45 -6.383 -12.767 4.831 328 HG2 PRO 45 2HG PRO 45 -3.841 -11.896 6.246 329 HG3 PRO 45 3HG PRO 45 -4.265 -13.527 5.632 330 HD2 PRO 45 2HD PRO 45 -2.719 -11.888 4.181 331 HD3 PRO 45 3HD PRO 45 -3.983 -12.856 3.379 332 H VAL 46 H VAL 46 -3.766 -9.589 5.729 333 HA VAL 46 HA VAL 46 -5.162 -7.889 7.571 334 HB VAL 46 HB VAL 46 -2.324 -7.867 6.494 335 HG11 VAL 46 1HG1 VAL 46 -3.492 -6.142 8.671 336 HG12 VAL 46 2HG1 VAL 46 -1.747 -6.446 8.474 337 HG13 VAL 46 3HG1 VAL 46 -2.644 -5.618 7.207 338 HG21 VAL 46 3HG2 VAL 46 -1.740 -8.822 8.669 339 HG22 VAL 46 1HG2 VAL 46 -3.439 -8.762 9.181 340 HG23 VAL 46 2HG2 VAL 46 -2.933 -9.838 7.864 341 H LEU 47 H LEU 47 -3.587 -7.124 4.450 342 HA LEU 47 HA LEU 47 -4.331 -4.337 4.497 343 HB2 LEU 47 2HB LEU 47 -3.104 -4.168 2.551 344 HB3 LEU 47 3HB LEU 47 -2.333 -5.455 3.418 345 HG LEU 47 HG LEU 47 -3.795 -7.024 1.910 346 HD11 LEU 47 1HD1 LEU 47 -4.264 -6.177 -0.306 347 HD12 LEU 47 2HD1 LEU 47 -3.565 -4.589 0.085 348 HD13 LEU 47 3HD1 LEU 47 -5.090 -5.100 0.816 349 HD21 LEU 47 3HD2 LEU 47 -1.421 -5.446 0.865 350 HD22 LEU 47 1HD2 LEU 47 -1.994 -7.020 0.225 351 HD23 LEU 47 2HD2 LEU 47 -1.354 -6.902 1.865 352 H GLU 48 H GLU 48 -5.821 -7.226 2.923 353 HA GLU 48 HA GLU 48 -7.950 -5.806 1.636 354 HB2 GLU 48 2HB GLU 48 -7.271 -8.191 1.281 355 HB3 GLU 48 3HB GLU 48 -7.977 -8.609 2.840 356 HG2 GLU 48 2HG GLU 48 -10.200 -7.858 2.009 357 HG3 GLU 48 3HG GLU 48 -9.457 -7.400 0.469 358 H GLU 49 H GLU 49 -7.726 -7.239 4.920 359 HA GLU 49 HA GLU 49 -10.376 -6.618 5.679 360 HB2 GLU 49 2HB GLU 49 -7.837 -7.194 7.239 361 HB3 GLU 49 3HB GLU 49 -9.308 -6.753 8.080 362 HG2 GLU 49 2HG GLU 49 -9.395 -9.007 6.049 363 HG3 GLU 49 3HG GLU 49 -8.751 -9.285 7.666 364 H ILE 50 H ILE 50 -7.335 -4.756 6.487 365 HA ILE 50 HA ILE 50 -8.879 -2.659 7.743 366 HB ILE 50 HB ILE 50 -6.097 -2.600 6.586 367 HG12 ILE 50 2HG1 ILE 50 -6.200 -4.215 8.410 368 HG13 ILE 50 3HG1 ILE 50 -5.351 -2.791 8.971 369 HG21 ILE 50 1HG2 ILE 50 -7.519 -0.560 8.338 370 HG22 ILE 50 2HG2 ILE 50 -5.754 -0.623 8.158 371 HG23 ILE 50 3HG2 ILE 50 -6.766 -0.315 6.749 372 HD11 ILE 50 3HD1 ILE 50 -8.218 -3.577 9.650 373 HD12 ILE 50 1HD1 ILE 50 -6.816 -3.577 10.722 374 HD13 ILE 50 2HD1 ILE 50 -7.462 -2.040 10.137 375 H ALA 51 H ALA 51 -7.909 -3.128 4.310 376 HA ALA 51 HA ALA 51 -8.729 -0.536 3.415 377 HB1 ALA 51 3HB ALA 51 -8.989 -3.214 1.968 378 HB2 ALA 51 1HB ALA 51 -8.970 -1.600 1.232 379 HB3 ALA 51 2HB ALA 51 -7.522 -2.231 2.024 380 H THR 52 H THR 52 -10.604 -3.567 3.932 381 HA THR 52 HA THR 52 -13.072 -2.319 2.986 382 HB THR 52 HB THR 52 -12.596 -5.050 4.211 383 HG1 THR 52 HG1 THR 52 -11.434 -4.987 2.425 384 HG21 THR 52 3HG2 THR 52 -14.859 -3.956 2.469 385 HG22 THR 52 1HG2 THR 52 -15.001 -4.509 4.155 386 HG23 THR 52 2HG2 THR 52 -14.615 -5.670 2.877 387 H GLU 53 H GLU 53 -11.648 -2.953 6.199 388 HA GLU 53 HA GLU 53 -14.180 -2.362 7.582 389 HB2 GLU 53 2HB GLU 53 -11.342 -2.716 8.635 390 HB3 GLU 53 3HB GLU 53 -12.767 -2.405 9.625 391 HG2 GLU 53 2HG GLU 53 -13.738 -4.505 8.271 392 HG3 GLU 53 3HG GLU 53 -12.046 -4.913 8.127 393 H ARG 54 H ARG 54 -11.391 -0.497 6.570 394 HA ARG 54 HA ARG 54 -12.546 1.976 7.813 395 HB2 ARG 54 2HB ARG 54 -9.669 1.078 7.467 396 HB3 ARG 54 3HB ARG 54 -10.088 2.738 7.829 397 HG2 ARG 54 2HG ARG 54 -11.067 0.490 9.623 398 HG3 ARG 54 3HG ARG 54 -9.458 1.202 9.791 399 HD2 ARG 54 2HD ARG 54 -10.410 3.441 10.014 400 HD3 ARG 54 3HD ARG 54 -12.053 2.803 9.810 401 HE ARG 54 HE ARG 54 -10.973 1.420 11.987 402 HH11 ARG 54 1HH1 ARG 54 -11.706 4.779 11.224 403 HH12 ARG 54 2HH1 ARG 54 -11.970 5.186 12.905 404 HH21 ARG 54 1HH2 ARG 54 -11.333 2.028 14.113 405 HH22 ARG 54 2HH2 ARG 54 -11.759 3.670 14.486 406 H ALA 55 H ALA 55 -13.180 0.867 5.179 407 HA ALA 55 HA ALA 55 -11.955 2.141 3.040 408 HB1 ALA 55 3HB ALA 55 -13.690 0.372 2.896 409 HB2 ALA 55 1HB ALA 55 -14.925 1.539 3.420 410 HB3 ALA 55 2HB ALA 55 -14.089 1.758 1.867 411 H THR 56 H THR 56 -14.093 3.663 5.390 412 HA THR 56 HA THR 56 -14.559 6.108 3.842 413 HB THR 56 HB THR 56 -15.528 6.889 6.054 414 HG1 THR 56 HG1 THR 56 -15.823 5.284 7.610 415 HG21 THR 56 3HG2 THR 56 -16.620 4.244 4.987 416 HG22 THR 56 1HG2 THR 56 -16.939 5.850 4.295 417 HG23 THR 56 2HG2 THR 56 -17.513 5.462 5.925 418 H ASP 57 H ASP 57 -12.017 4.969 5.896 419 HA ASP 57 HA ASP 57 -10.988 7.731 6.404 420 HB2 ASP 57 2HB ASP 57 -10.250 5.049 7.618 421 HB3 ASP 57 3HB ASP 57 -9.433 6.559 7.956 422 H LEU 58 H LEU 58 -10.088 4.598 4.877 423 HA LEU 58 HA LEU 58 -8.172 6.037 3.221 424 HB2 LEU 58 2HB LEU 58 -6.203 4.968 3.799 425 HB3 LEU 58 3HB LEU 58 -6.911 5.488 5.287 426 HG LEU 58 HG LEU 58 -5.897 3.480 5.755 427 HD11 LEU 58 1HD1 LEU 58 -8.742 2.558 5.304 428 HD12 LEU 58 2HD1 LEU 58 -8.229 3.610 6.641 429 HD13 LEU 58 3HD1 LEU 58 -7.576 1.967 6.500 430 HD21 LEU 58 3HD2 LEU 58 -7.232 2.003 3.479 431 HD22 LEU 58 1HD2 LEU 58 -6.014 1.414 4.614 432 HD23 LEU 58 2HD2 LEU 58 -5.574 2.660 3.438 433 H THR 59 H THR 59 -7.230 4.843 1.508 434 HA THR 59 HA THR 59 -8.659 2.323 0.697 435 HB THR 59 HB THR 59 -7.461 4.522 -1.019 436 HG1 THR 59 HG1 THR 59 -9.588 4.456 -1.856 437 HG21 THR 59 3HG2 THR 59 -8.260 3.148 -2.964 438 HG22 THR 59 1HG2 THR 59 -8.549 1.788 -1.857 439 HG23 THR 59 2HG2 THR 59 -6.898 2.405 -2.127 440 H VAL 60 H VAL 60 -7.367 0.527 0.256 441 HA VAL 60 HA VAL 60 -4.407 0.936 0.424 442 HB VAL 60 HB VAL 60 -5.839 -1.692 0.707 443 HG11 VAL 60 1HG1 VAL 60 -3.639 -2.008 -0.237 444 HG12 VAL 60 2HG1 VAL 60 -2.917 -0.879 0.928 445 HG13 VAL 60 3HG1 VAL 60 -3.568 -2.428 1.471 446 HG21 VAL 60 3HG2 VAL 60 -6.249 -0.308 2.707 447 HG22 VAL 60 1HG2 VAL 60 -5.148 -1.637 3.067 448 HG23 VAL 60 2HG2 VAL 60 -4.515 0.006 2.864 449 H ALA 61 H ALA 61 -3.260 0.809 -1.282 450 HA ALA 61 HA ALA 61 -4.330 -0.239 -3.843 451 HB1 ALA 61 3HB ALA 61 -4.074 2.219 -3.770 452 HB2 ALA 61 1HB ALA 61 -2.388 2.033 -3.259 453 HB3 ALA 61 2HB ALA 61 -2.882 1.493 -4.873 454 H LYS 62 H LYS 62 -2.998 -1.553 -5.076 455 HA LYS 62 HA LYS 62 -0.410 -2.412 -3.818 456 HB2 LYS 62 2HB LYS 62 -2.481 -4.081 -5.278 457 HB3 LYS 62 3HB LYS 62 -0.890 -4.649 -4.798 458 HG2 LYS 62 2HG LYS 62 -1.882 -3.579 -2.397 459 HG3 LYS 62 3HG LYS 62 -3.342 -4.175 -3.185 460 HD2 LYS 62 2HD LYS 62 -2.694 -6.068 -2.060 461 HD3 LYS 62 3HD LYS 62 -1.879 -6.363 -3.582 462 HE2 LYS 62 2HE LYS 62 -0.679 -5.169 -1.034 463 HE3 LYS 62 3HE LYS 62 -0.444 -6.818 -1.597 464 HZ1 LYS 62 3HZ LYS 62 1.438 -5.419 -2.068 465 HZ2 LYS 62 1HZ LYS 62 0.594 -4.380 -2.965 466 HZ3 LYS 62 2HZ LYS 62 0.804 -5.938 -3.490 467 H LEU 63 H LEU 63 1.329 -2.706 -4.889 468 HA LEU 63 HA LEU 63 1.388 -2.169 -7.827 469 HB2 LEU 63 2HB LEU 63 2.200 -0.289 -6.417 470 HB3 LEU 63 3HB LEU 63 3.378 -1.352 -5.680 471 HG LEU 63 HG LEU 63 4.320 0.170 -7.310 472 HD11 LEU 63 1HD1 LEU 63 4.674 -2.488 -8.654 473 HD12 LEU 63 2HD1 LEU 63 5.314 -2.190 -7.022 474 HD13 LEU 63 3HD1 LEU 63 5.825 -1.190 -8.397 475 HD21 LEU 63 3HD2 LEU 63 2.705 -1.252 -9.447 476 HD22 LEU 63 1HD2 LEU 63 3.957 -0.032 -9.717 477 HD23 LEU 63 2HD2 LEU 63 2.472 0.415 -8.866 478 H ASP 64 H ASP 64 2.356 -3.640 -9.015 479 HA ASP 64 HA ASP 64 3.485 -6.076 -7.697 480 HB2 ASP 64 2HB ASP 64 2.385 -5.707 -10.488 481 HB3 ASP 64 3HB ASP 64 2.957 -7.222 -9.783 482 H VAL 65 H VAL 65 5.647 -5.896 -7.502 483 HA VAL 65 HA VAL 65 7.085 -3.886 -8.894 484 HB VAL 65 HB VAL 65 9.051 -4.584 -7.712 485 HG11 VAL 65 1HG1 VAL 65 7.364 -3.367 -6.431 486 HG12 VAL 65 2HG1 VAL 65 6.606 -4.891 -5.934 487 HG13 VAL 65 3HG1 VAL 65 8.248 -4.507 -5.402 488 HG21 VAL 65 3HG2 VAL 65 9.036 -7.002 -7.963 489 HG22 VAL 65 1HG2 VAL 65 9.101 -6.585 -6.250 490 HG23 VAL 65 2HG2 VAL 65 7.577 -7.139 -6.968 491 H ASP 66 H ASP 66 6.631 -7.182 -9.818 492 HA ASP 66 HA ASP 66 8.930 -7.340 -11.613 493 HB2 ASP 66 2HB ASP 66 7.944 -9.293 -10.444 494 HB3 ASP 66 3HB ASP 66 6.448 -9.079 -11.356 495 H THR 67 H THR 67 5.537 -6.332 -11.955 496 HA THR 67 HA THR 67 5.829 -6.187 -14.925 497 HB THR 67 HB THR 67 3.387 -6.030 -14.998 498 HG1 THR 67 HG1 THR 67 2.236 -6.470 -13.117 499 HG21 THR 67 3HG2 THR 67 2.894 -8.348 -14.430 500 HG22 THR 67 1HG2 THR 67 4.333 -8.447 -13.393 501 HG23 THR 67 2HG2 THR 67 4.509 -8.251 -15.151 502 H ASN 68 H ASN 68 5.481 -4.099 -12.119 503 HA ASN 68 HA ASN 68 6.052 -1.896 -14.032 504 HB2 ASN 68 2HB ASN 68 3.652 -1.754 -13.319 505 HB3 ASN 68 3HB ASN 68 4.197 -1.522 -11.654 506 HD21 ASN 68 1HD2 ASN 68 4.568 -0.190 -14.986 507 HD22 ASN 68 2HD2 ASN 68 4.841 1.455 -14.444 508 HA PRO 69 HA PRO 69 9.418 -2.183 -10.888 509 HB2 PRO 69 2HB PRO 69 10.934 -1.404 -13.374 510 HB3 PRO 69 3HB PRO 69 11.407 -2.535 -12.069 511 HG2 PRO 69 2HG PRO 69 10.521 -3.488 -14.443 512 HG3 PRO 69 3HG PRO 69 9.946 -4.232 -12.915 513 HD2 PRO 69 2HD PRO 69 8.550 -2.162 -14.638 514 HD3 PRO 69 3HD PRO 69 7.904 -3.672 -13.928 515 H GLU 70 H GLU 70 8.344 0.275 -13.174 516 HA GLU 70 HA GLU 70 10.083 2.386 -12.439 517 HB2 GLU 70 2HB GLU 70 7.267 2.460 -13.595 518 HB3 GLU 70 3HB GLU 70 8.347 3.851 -13.504 519 HG2 GLU 70 2HG GLU 70 8.890 1.304 -15.070 520 HG3 GLU 70 3HG GLU 70 8.342 2.833 -15.743 521 H THR 71 H THR 71 6.812 1.654 -11.063 522 HA THR 71 HA THR 71 7.101 3.837 -9.126 523 HB THR 71 HB THR 71 5.267 1.554 -8.721 524 HG1 THR 71 HG1 THR 71 4.771 2.148 -10.788 525 HG21 THR 71 3HG2 THR 71 3.791 3.242 -7.756 526 HG22 THR 71 1HG2 THR 71 4.944 4.527 -8.183 527 HG23 THR 71 2HG2 THR 71 5.369 3.305 -6.966 528 H ALA 72 H ALA 72 7.899 0.375 -9.194 529 HA ALA 72 HA ALA 72 8.338 -0.035 -6.403 530 HB1 ALA 72 3HB ALA 72 9.743 -1.343 -8.775 531 HB2 ALA 72 1HB ALA 72 9.567 -2.005 -7.156 532 HB3 ALA 72 2HB ALA 72 8.136 -1.801 -8.177 533 H ARG 73 H ARG 73 10.608 1.068 -8.978 534 HA ARG 73 HA ARG 73 12.712 1.683 -7.035 535 HB2 ARG 73 2HB ARG 73 14.020 2.439 -8.845 536 HB3 ARG 73 3HB ARG 73 13.179 0.984 -9.375 537 HG2 ARG 73 2HG ARG 73 11.519 2.454 -10.576 538 HG3 ARG 73 3HG ARG 73 12.476 3.865 -10.110 539 HD2 ARG 73 2HD ARG 73 14.452 2.831 -11.304 540 HD3 ARG 73 3HD ARG 73 13.398 1.513 -11.814 541 HE ARG 73 HE ARG 73 12.393 2.868 -13.408 542 HH11 ARG 73 1HH1 ARG 73 14.476 4.930 -11.461 543 HH12 ARG 73 2HH1 ARG 73 14.256 6.289 -12.527 544 HH21 ARG 73 1HH2 ARG 73 12.062 4.661 -14.630 545 HH22 ARG 73 2HH2 ARG 73 12.958 6.126 -14.297 546 H ASN 74 H ASN 74 9.995 3.533 -8.296 547 HA ASN 74 HA ASN 74 10.843 6.137 -7.653 548 HB2 ASN 74 2HB ASN 74 8.587 5.284 -8.735 549 HB3 ASN 74 3HB ASN 74 8.016 5.155 -7.091 550 HD21 ASN 74 1HD2 ASN 74 7.482 7.075 -5.932 551 HD22 ASN 74 2HD2 ASN 74 7.615 8.653 -6.688 552 H PHE 75 H PHE 75 9.465 3.655 -5.518 553 HA PHE 75 HA PHE 75 10.109 5.291 -3.112 554 HB2 PHE 75 2HB PHE 75 8.156 3.009 -3.444 555 HB3 PHE 75 3HB PHE 75 8.452 3.899 -1.950 556 HD1 PHE 75 HD2 PHE 75 7.951 6.385 -1.832 557 HD2 PHE 75 HD1 PHE 75 6.724 3.938 -5.156 558 HE1 PHE 75 HE2 PHE 75 6.393 8.173 -2.575 559 HE2 PHE 75 HE1 PHE 75 5.152 5.720 -5.892 560 HZ PHE 75 HZ PHE 75 5.010 7.850 -4.617 561 H GLN 76 H GLN 76 11.871 3.376 -4.784 562 HA GLN 76 HA GLN 76 13.613 1.951 -4.453 563 HB2 GLN 76 2HB GLN 76 13.705 3.669 -1.962 564 HB3 GLN 76 3HB GLN 76 15.038 2.642 -2.476 565 HG2 GLN 76 2HG GLN 76 13.896 4.857 -4.228 566 HG3 GLN 76 3HG GLN 76 15.222 5.081 -3.098 567 HE21 GLN 76 1HE2 GLN 76 14.418 3.971 -6.293 568 HE22 GLN 76 2HE2 GLN 76 16.040 3.393 -6.683 569 H VAL 77 H VAL 77 11.613 0.290 -4.115 570 HA VAL 77 HA VAL 77 11.663 -1.114 -1.582 571 HB VAL 77 HB VAL 77 9.778 -1.236 -3.217 572 HG11 VAL 77 1HG1 VAL 77 9.811 -2.771 -5.052 573 HG12 VAL 77 2HG1 VAL 77 11.138 -1.620 -5.305 574 HG13 VAL 77 3HG1 VAL 77 11.481 -3.260 -4.730 575 HG21 VAL 77 3HG2 VAL 77 10.944 -3.949 -2.456 576 HG22 VAL 77 1HG2 VAL 77 10.070 -2.869 -1.358 577 HG23 VAL 77 2HG2 VAL 77 9.241 -3.558 -2.760 578 H VAL 78 H VAL 78 12.897 -2.761 -0.918 579 HA VAL 78 HA VAL 78 14.925 -3.963 -2.738 580 HB VAL 78 HB VAL 78 15.626 -2.886 0.024 581 HG11 VAL 78 1HG1 VAL 78 16.844 -4.976 -0.461 582 HG12 VAL 78 2HG1 VAL 78 17.332 -4.340 -2.049 583 HG13 VAL 78 3HG1 VAL 78 17.935 -3.594 -0.554 584 HG21 VAL 78 3HG2 VAL 78 16.545 -1.990 -2.741 585 HG22 VAL 78 1HG2 VAL 78 15.548 -1.055 -1.606 586 HG23 VAL 78 2HG2 VAL 78 17.221 -1.427 -1.196 587 H SER 79 H SER 79 13.894 -4.133 0.705 588 HA SER 79 HA SER 79 13.489 -7.064 0.505 589 HB2 SER 79 2HB SER 79 13.155 -5.155 2.837 590 HB3 SER 79 3HB SER 79 12.906 -6.910 2.898 591 HG SER 79 HG SER 79 15.023 -6.303 3.576 592 H ILE 80 H ILE 80 11.449 -8.029 0.925 593 HA ILE 80 HA ILE 80 9.118 -6.329 0.162 594 HB ILE 80 HB ILE 80 9.732 -9.107 -0.902 595 HG12 ILE 80 2HG1 ILE 80 10.063 -6.383 -2.253 596 HG13 ILE 80 3HG1 ILE 80 11.363 -7.495 -1.821 597 HG21 ILE 80 1HG2 ILE 80 7.308 -8.506 -0.770 598 HG22 ILE 80 2HG2 ILE 80 7.653 -7.030 -1.707 599 HG23 ILE 80 3HG2 ILE 80 7.854 -8.640 -2.430 600 HD11 ILE 80 3HD1 ILE 80 10.399 -9.186 -3.415 601 HD12 ILE 80 1HD1 ILE 80 9.288 -7.915 -3.991 602 HD13 ILE 80 2HD1 ILE 80 11.033 -7.702 -4.156 603 HA PRO 81 HA PRO 81 6.844 -6.338 0.278 604 HB2 PRO 81 2HB PRO 81 4.913 -5.555 1.988 605 HB3 PRO 81 3HB PRO 81 4.863 -7.147 1.178 606 HG2 PRO 81 2HG PRO 81 5.871 -6.505 3.969 607 HG3 PRO 81 3HG PRO 81 4.712 -7.785 3.493 608 HD2 PRO 81 2HD PRO 81 7.387 -8.277 3.834 609 HD3 PRO 81 3HD PRO 81 6.430 -9.124 2.591 610 H THR 82 H THR 82 6.613 -4.080 0.308 611 HA THR 82 HA THR 82 7.566 -2.572 2.688 612 HB THR 82 HB THR 82 8.333 -1.929 -0.177 613 HG1 THR 82 HG1 THR 82 9.750 -3.322 0.934 614 HG21 THR 82 3HG2 THR 82 8.718 -0.249 2.338 615 HG22 THR 82 1HG2 THR 82 7.729 0.196 0.927 616 HG23 THR 82 2HG2 THR 82 9.483 0.054 0.764 617 H LEU 83 H LEU 83 6.229 -1.025 3.291 618 HA LEU 83 HA LEU 83 3.794 -0.386 1.693 619 HB2 LEU 83 2HB LEU 83 4.288 -0.296 4.702 620 HB3 LEU 83 3HB LEU 83 2.826 0.221 3.876 621 HG LEU 83 HG LEU 83 2.524 -2.165 3.079 622 HD11 LEU 83 1HD1 LEU 83 4.681 -2.695 5.184 623 HD12 LEU 83 2HD1 LEU 83 4.677 -3.233 3.488 624 HD13 LEU 83 3HD1 LEU 83 3.530 -3.922 4.614 625 HD21 LEU 83 3HD2 LEU 83 1.572 -2.850 5.266 626 HD22 LEU 83 1HD2 LEU 83 1.251 -1.149 4.940 627 HD23 LEU 83 2HD2 LEU 83 2.542 -1.584 6.070 628 H ILE 84 H ILE 84 3.386 1.792 1.292 629 HA ILE 84 HA ILE 84 4.785 3.796 2.959 630 HB ILE 84 HB ILE 84 5.986 3.505 0.790 631 HG12 ILE 84 2HG1 ILE 84 6.229 5.503 2.218 632 HG13 ILE 84 3HG1 ILE 84 6.621 5.701 0.526 633 HG21 ILE 84 1HG2 ILE 84 4.155 3.190 -0.734 634 HG22 ILE 84 2HG2 ILE 84 3.571 4.834 -0.437 635 HG23 ILE 84 3HG2 ILE 84 5.136 4.582 -1.232 636 HD11 ILE 84 3HD1 ILE 84 4.062 6.733 1.813 637 HD12 ILE 84 1HD1 ILE 84 5.500 7.674 1.416 638 HD13 ILE 84 2HD1 ILE 84 4.549 6.944 0.117 639 H LEU 85 H LEU 85 3.492 5.287 3.766 640 HA LEU 85 HA LEU 85 0.594 5.112 3.052 641 HB2 LEU 85 2HB LEU 85 1.197 4.185 5.215 642 HB3 LEU 85 3HB LEU 85 2.010 5.676 5.672 643 HG LEU 85 HG LEU 85 -0.076 6.887 5.800 644 HD11 LEU 85 1HD1 LEU 85 -2.278 5.739 5.539 645 HD12 LEU 85 2HD1 LEU 85 -1.446 4.343 4.824 646 HD13 LEU 85 3HD1 LEU 85 -1.427 5.923 4.013 647 HD21 LEU 85 3HD2 LEU 85 0.604 5.557 7.748 648 HD22 LEU 85 1HD2 LEU 85 -0.260 4.137 7.110 649 HD23 LEU 85 2HD2 LEU 85 -1.161 5.571 7.626 650 H PHE 86 H PHE 86 -0.342 6.787 2.228 651 HA PHE 86 HA PHE 86 0.832 9.513 2.417 652 HB2 PHE 86 2HB PHE 86 -1.222 8.355 0.490 653 HB3 PHE 86 3HB PHE 86 -0.637 10.007 0.481 654 HD1 PHE 86 HD1 PHE 86 0.324 6.460 -0.152 655 HD2 PHE 86 HD2 PHE 86 1.421 10.606 -0.600 656 HE1 PHE 86 HE1 PHE 86 2.110 5.827 -1.746 657 HE2 PHE 86 HE2 PHE 86 3.251 9.956 -2.140 658 HZ PHE 86 HZ PHE 86 3.591 7.561 -2.714 659 H LYS 87 H LYS 87 -0.409 11.230 3.044 660 HA LYS 87 HA LYS 87 -3.231 10.785 3.952 661 HB2 LYS 87 2HB LYS 87 -1.725 11.417 5.816 662 HB3 LYS 87 3HB LYS 87 -1.236 12.873 4.934 663 HG2 LYS 87 2HG LYS 87 -3.613 13.619 4.908 664 HG3 LYS 87 3HG LYS 87 -4.069 12.182 5.837 665 HD2 LYS 87 2HD LYS 87 -2.540 12.976 7.676 666 HD3 LYS 87 3HD LYS 87 -2.279 14.468 6.762 667 HE2 LYS 87 2HE LYS 87 -4.982 13.397 7.717 668 HE3 LYS 87 3HE LYS 87 -4.054 14.654 8.527 669 HZ1 LYS 87 3HZ LYS 87 -4.278 16.029 6.510 670 HZ2 LYS 87 1HZ LYS 87 -5.748 15.645 7.096 671 HZ3 LYS 87 2HZ LYS 87 -5.181 14.889 5.760 672 H ASP 88 H ASP 88 -4.591 11.574 2.482 673 HA ASP 88 HA ASP 88 -5.429 12.668 0.672 674 HB2 ASP 88 2HB ASP 88 -4.201 15.077 2.046 675 HB3 ASP 88 3HB ASP 88 -5.597 15.066 0.966 676 H GLY 89 H GLY 89 -3.018 11.454 -0.085 677 HA2 GLY 89 2HA GLY 89 -1.753 11.334 -1.973 678 HA3 GLY 89 3HA GLY 89 -2.293 12.931 -2.477 679 H GLN 90 H GLN 90 -0.936 13.042 0.690 680 HA GLN 90 HA GLN 90 1.766 13.752 -0.368 681 HB2 GLN 90 2HB GLN 90 0.342 14.755 2.119 682 HB3 GLN 90 3HB GLN 90 1.987 15.176 1.632 683 HG2 GLN 90 2HG GLN 90 1.133 16.218 -0.445 684 HG3 GLN 90 3HG GLN 90 -0.524 15.797 0.006 685 HE21 GLN 90 1HE2 GLN 90 -1.381 16.755 2.090 686 HE22 GLN 90 2HE2 GLN 90 -0.772 18.342 2.543 687 HA PRO 91 HA PRO 91 2.943 10.076 1.832 688 HB2 PRO 91 2HB PRO 91 5.676 10.225 1.797 689 HB3 PRO 91 3HB PRO 91 4.680 9.891 0.347 690 HG2 PRO 91 2HG PRO 91 5.826 12.555 1.245 691 HG3 PRO 91 3HG PRO 91 5.902 11.809 -0.384 692 HD2 PRO 91 2HD PRO 91 4.028 13.677 0.248 693 HD3 PRO 91 3HD PRO 91 3.629 12.292 -0.813 694 H VAL 92 H VAL 92 3.192 9.425 3.896 695 HA VAL 92 HA VAL 92 4.043 11.418 5.973 696 HB VAL 92 HB VAL 92 2.146 9.058 6.281 697 HG11 VAL 92 1HG1 VAL 92 3.283 9.599 8.395 698 HG12 VAL 92 2HG1 VAL 92 2.875 11.318 8.191 699 HG13 VAL 92 3HG1 VAL 92 1.597 10.111 8.451 700 HG21 VAL 92 3HG2 VAL 92 0.406 10.821 6.535 701 HG22 VAL 92 1HG2 VAL 92 1.597 12.055 6.078 702 HG23 VAL 92 2HG2 VAL 92 1.099 10.810 4.913 703 H LYS 93 H LYS 93 4.186 7.898 5.205 704 HA LYS 93 HA LYS 93 6.867 7.695 6.375 705 HB2 LYS 93 2HB LYS 93 6.317 6.062 8.083 706 HB3 LYS 93 3HB LYS 93 5.468 7.569 8.393 707 HG2 LYS 93 2HG LYS 93 3.358 6.590 7.522 708 HG3 LYS 93 3HG LYS 93 4.213 5.105 7.083 709 HD2 LYS 93 2HD LYS 93 3.099 4.651 9.129 710 HD3 LYS 93 3HD LYS 93 4.823 4.784 9.499 711 HE2 LYS 93 2HE LYS 93 4.339 7.247 10.133 712 HE3 LYS 93 3HE LYS 93 2.625 6.842 9.985 713 HZ1 LYS 93 3HZ LYS 93 3.097 5.024 11.653 714 HZ2 LYS 93 1HZ LYS 93 3.232 6.579 12.236 715 HZ3 LYS 93 2HZ LYS 93 4.568 5.686 11.896 716 H ARG 94 H ARG 94 7.877 5.671 6.115 717 HA ARG 94 HA ARG 94 6.584 3.707 4.275 718 HB2 ARG 94 2HB ARG 94 8.516 5.111 3.277 719 HB3 ARG 94 3HB ARG 94 9.579 4.212 4.364 720 HG2 ARG 94 2HG ARG 94 8.707 2.067 3.292 721 HG3 ARG 94 3HG ARG 94 7.752 3.077 2.204 722 HD2 ARG 94 2HD ARG 94 9.610 2.527 0.940 723 HD3 ARG 94 3HD ARG 94 9.961 4.172 1.482 724 HE ARG 94 HE ARG 94 11.197 2.747 3.422 725 HH11 ARG 94 1HH1 ARG 94 11.435 2.387 -0.074 726 HH12 ARG 94 2HH1 ARG 94 12.902 1.471 0.030 727 HH21 ARG 94 1HH2 ARG 94 13.157 1.676 3.464 728 HH22 ARG 94 2HH2 ARG 94 13.892 1.172 1.972 729 H ILE 95 H ILE 95 6.731 1.575 4.844 730 HA ILE 95 HA ILE 95 8.277 0.810 7.265 731 HB ILE 95 HB ILE 95 5.569 -0.485 6.873 732 HG12 ILE 95 2HG1 ILE 95 4.812 1.091 8.827 733 HG13 ILE 95 3HG1 ILE 95 5.993 2.226 8.192 734 HG21 ILE 95 1HG2 ILE 95 7.260 -1.472 8.373 735 HG22 ILE 95 2HG2 ILE 95 7.349 0.054 9.286 736 HG23 ILE 95 3HG2 ILE 95 5.862 -0.912 9.267 737 HD11 ILE 95 3HD1 ILE 95 3.693 2.650 7.370 738 HD12 ILE 95 1HD1 ILE 95 4.728 2.218 6.003 739 HD13 ILE 95 2HD1 ILE 95 3.611 1.019 6.689 740 H VAL 96 H VAL 96 9.263 -1.195 7.133 741 HA VAL 96 HA VAL 96 8.860 -2.765 4.618 742 HB VAL 96 HB VAL 96 10.941 -1.527 4.545 743 HG11 VAL 96 1HG1 VAL 96 11.514 -1.380 6.943 744 HG12 VAL 96 2HG1 VAL 96 11.827 -3.130 6.980 745 HG13 VAL 96 3HG1 VAL 96 12.839 -2.060 5.994 746 HG21 VAL 96 3HG2 VAL 96 11.484 -4.499 4.884 747 HG22 VAL 96 1HG2 VAL 96 10.745 -3.747 3.448 748 HG23 VAL 96 2HG2 VAL 96 12.397 -3.321 3.919 749 H GLY 97 H GLY 97 8.752 -4.955 4.730 750 HA2 GLY 97 2HA GLY 97 8.563 -7.067 5.731 751 HA3 GLY 97 3HA GLY 97 8.893 -6.384 7.320 752 H ALA 98 H ALA 98 6.983 -8.080 7.391 753 HA ALA 98 HA ALA 98 4.396 -7.296 6.498 754 HB1 ALA 98 3HB ALA 98 3.637 -9.266 7.803 755 HB2 ALA 98 1HB ALA 98 5.053 -9.628 6.803 756 HB3 ALA 98 2HB ALA 98 5.240 -9.376 8.555 757 H LYS 99 H LYS 99 2.499 -6.925 7.709 758 HA LYS 99 HA LYS 99 2.725 -5.559 10.369 759 HB2 LYS 99 2HB LYS 99 0.671 -5.001 8.188 760 HB3 LYS 99 3HB LYS 99 0.812 -4.161 9.717 761 HG2 LYS 99 2HG LYS 99 2.804 -4.047 7.410 762 HG3 LYS 99 3HG LYS 99 1.569 -2.854 7.784 763 HD2 LYS 99 2HD LYS 99 3.931 -3.491 9.595 764 HD3 LYS 99 3HD LYS 99 3.847 -2.168 8.444 765 HE2 LYS 99 2HE LYS 99 1.941 -1.164 9.591 766 HE3 LYS 99 3HE LYS 99 1.848 -2.517 10.721 767 HZ1 LYS 99 3HZ LYS 99 4.208 -0.726 10.514 768 HZ2 LYS 99 1HZ LYS 99 3.963 -1.866 11.660 769 HZ3 LYS 99 2HZ LYS 99 3.037 -0.502 11.599 770 H GLY 100 H GLY 100 0.851 -5.884 11.763 771 HA2 GLY 100 2HA GLY 100 -1.041 -8.084 11.032 772 HA3 GLY 100 3HA GLY 100 -0.790 -7.450 12.661 773 H LYS 101 H LYS 101 -3.345 -7.512 11.541 774 HA LYS 101 HA LYS 101 -4.351 -5.144 10.314 775 HB2 LYS 101 2HB LYS 101 -5.469 -7.050 12.407 776 HB3 LYS 101 3HB LYS 101 -6.366 -5.634 11.847 777 HG2 LYS 101 2HG LYS 101 -6.251 -6.479 9.514 778 HG3 LYS 101 3HG LYS 101 -5.383 -7.912 10.081 779 HD2 LYS 101 2HD LYS 101 -7.796 -8.332 9.715 780 HD3 LYS 101 3HD LYS 101 -7.314 -8.643 11.391 781 HE2 LYS 101 2HE LYS 101 -8.291 -6.596 12.174 782 HE3 LYS 101 3HE LYS 101 -8.401 -5.945 10.552 783 HZ1 LYS 101 3HZ LYS 101 -10.100 -8.049 11.782 784 HZ2 LYS 101 1HZ LYS 101 -10.101 -7.845 10.163 785 HZ3 LYS 101 2HZ LYS 101 -10.575 -6.619 11.114 786 H ALA 102 H ALA 102 -3.724 -5.729 13.718 787 HA ALA 102 HA ALA 102 -4.627 -3.188 14.684 788 HB1 ALA 102 3HB ALA 102 -2.622 -5.142 15.899 789 HB2 ALA 102 1HB ALA 102 -3.461 -3.833 16.758 790 HB3 ALA 102 2HB ALA 102 -4.390 -5.192 16.098 791 H ALA 103 H ALA 103 -1.398 -4.223 13.538 792 HA ALA 103 HA ALA 103 -0.073 -1.759 14.308 793 HB1 ALA 103 3HB ALA 103 1.815 -2.685 13.089 794 HB2 ALA 103 1HB ALA 103 1.081 -3.941 14.095 795 HB3 ALA 103 2HB ALA 103 0.778 -3.922 12.342 796 H LEU 104 H LEU 104 -1.443 -3.001 11.216 797 HA LEU 104 HA LEU 104 -0.811 -0.686 9.630 798 HB2 LEU 104 2HB LEU 104 -1.358 -2.936 8.775 799 HB3 LEU 104 3HB LEU 104 -3.005 -2.781 9.377 800 HG LEU 104 HG LEU 104 -3.445 -0.951 7.795 801 HD11 LEU 104 1HD1 LEU 104 -1.248 0.108 7.606 802 HD12 LEU 104 2HD1 LEU 104 -1.796 -0.417 6.022 803 HD13 LEU 104 3HD1 LEU 104 -0.567 -1.370 6.879 804 HD21 LEU 104 3HD2 LEU 104 -3.751 -3.323 7.073 805 HD22 LEU 104 1HD2 LEU 104 -2.108 -3.307 6.400 806 HD23 LEU 104 2HD2 LEU 104 -3.360 -2.240 5.726 807 H LEU 105 H LEU 105 -3.695 -1.520 11.596 808 HA LEU 105 HA LEU 105 -5.119 0.920 11.162 809 HB2 LEU 105 2HB LEU 105 -6.100 -1.192 11.983 810 HB3 LEU 105 3HB LEU 105 -5.156 -1.049 13.463 811 HG LEU 105 HG LEU 105 -6.424 0.987 14.095 812 HD11 LEU 105 1HD1 LEU 105 -7.041 1.839 11.866 813 HD12 LEU 105 2HD1 LEU 105 -8.483 1.573 12.844 814 HD13 LEU 105 3HD1 LEU 105 -8.045 0.399 11.577 815 HD21 LEU 105 3HD2 LEU 105 -7.189 -1.242 14.822 816 HD22 LEU 105 1HD2 LEU 105 -8.186 -1.386 13.356 817 HD23 LEU 105 2HD2 LEU 105 -8.552 -0.139 14.571 818 H ARG 106 H ARG 106 -2.554 0.093 13.541 819 HA ARG 106 HA ARG 106 -2.647 2.608 14.954 820 HB2 ARG 106 2HB ARG 106 -1.553 0.817 15.981 821 HB3 ARG 106 3HB ARG 106 -0.526 0.473 14.612 822 HG2 ARG 106 2HG ARG 106 -0.253 3.105 16.093 823 HG3 ARG 106 3HG ARG 106 0.453 1.612 16.715 824 HD2 ARG 106 2HD ARG 106 1.659 1.296 14.535 825 HD3 ARG 106 3HD ARG 106 1.121 2.910 14.042 826 HE ARG 106 HE ARG 106 2.291 3.308 16.521 827 HH11 ARG 106 1HH1 ARG 106 3.481 2.077 13.427 828 HH12 ARG 106 2HH1 ARG 106 5.133 2.446 13.853 829 HH21 ARG 106 1HH2 ARG 106 4.410 3.797 16.924 830 HH22 ARG 106 2HH2 ARG 106 5.635 3.423 15.749 831 H GLU 107 H GLU 107 -0.813 1.665 11.981 832 HA GLU 107 HA GLU 107 0.346 4.292 11.655 833 HB2 GLU 107 2HB GLU 107 -0.506 2.602 9.287 834 HB3 GLU 107 3HB GLU 107 0.804 3.763 9.406 835 HG2 GLU 107 2HG GLU 107 0.652 0.996 10.453 836 HG3 GLU 107 3HG GLU 107 1.789 1.649 9.299 837 H LEU 108 H LEU 108 -2.775 2.969 10.549 838 HA LEU 108 HA LEU 108 -3.654 5.339 9.254 839 HB2 LEU 108 2HB LEU 108 -4.554 2.985 9.064 840 HB3 LEU 108 3HB LEU 108 -5.269 3.148 10.643 841 HG LEU 108 HG LEU 108 -6.720 3.406 8.557 842 HD11 LEU 108 1HD1 LEU 108 -7.523 3.888 10.833 843 HD12 LEU 108 2HD1 LEU 108 -8.249 4.939 9.615 844 HD13 LEU 108 3HD1 LEU 108 -6.974 5.567 10.672 845 HD21 LEU 108 3HD2 LEU 108 -5.728 6.284 8.626 846 HD22 LEU 108 1HD2 LEU 108 -6.992 5.606 7.600 847 HD23 LEU 108 2HD2 LEU 108 -5.304 5.096 7.376 848 H SER 109 H SER 109 -3.990 4.345 12.664 849 HA SER 109 HA SER 109 -5.479 6.654 13.535 850 HB2 SER 109 2HB SER 109 -3.571 4.873 15.105 851 HB3 SER 109 3HB SER 109 -4.739 6.015 15.787 852 HG SER 109 HG SER 109 -5.296 3.695 14.226 853 H ASP 110 H ASP 110 -2.032 6.101 12.943 854 HA ASP 110 HA ASP 110 -1.182 8.542 14.265 855 HB2 ASP 110 2HB ASP 110 0.159 6.405 13.988 856 HB3 ASP 110 3HB ASP 110 0.364 6.836 12.287 857 H VAL 111 H VAL 111 -2.391 7.844 11.089 858 HA VAL 111 HA VAL 111 -1.499 10.337 9.818 859 HB VAL 111 HB VAL 111 -3.345 8.055 9.082 860 HG11 VAL 111 1HG1 VAL 111 -3.059 10.629 7.513 861 HG12 VAL 111 2HG1 VAL 111 -3.693 9.103 6.863 862 HG13 VAL 111 3HG1 VAL 111 -4.562 9.930 8.158 863 HG21 VAL 111 3HG2 VAL 111 -0.904 7.807 8.769 864 HG22 VAL 111 1HG2 VAL 111 -1.760 7.846 7.218 865 HG23 VAL 111 2HG2 VAL 111 -0.879 9.280 7.778 866 H VAL 112 H VAL 112 -4.108 9.396 11.904 867 HA VAL 112 HA VAL 112 -5.949 10.423 12.725 868 HB VAL 112 HB VAL 112 -4.588 13.092 12.279 869 HG11 VAL 112 1HG1 VAL 112 -5.735 13.683 14.362 870 HG12 VAL 112 2HG1 VAL 112 -6.933 13.083 13.213 871 HG13 VAL 112 3HG1 VAL 112 -6.372 12.031 14.524 872 HG21 VAL 112 3HG2 VAL 112 -3.531 12.769 14.498 873 HG22 VAL 112 1HG2 VAL 112 -4.070 11.076 14.505 874 HG23 VAL 112 2HG2 VAL 112 -2.893 11.647 13.301 875 HA PRO 113 HA PRO 113 -7.501 11.338 8.369 876 HB2 PRO 113 2HB PRO 113 -9.484 9.421 8.302 877 HB3 PRO 113 3HB PRO 113 -7.782 9.105 7.863 878 HG2 PRO 113 2HG PRO 113 -9.115 8.615 10.548 879 HG3 PRO 113 3HG PRO 113 -8.115 7.480 9.582 880 HD2 PRO 113 2HD PRO 113 -7.004 8.866 11.584 881 HD3 PRO 113 3HD PRO 113 -6.130 8.691 10.029 882 H ASN 114 H ASN 114 -9.014 11.064 11.512 883 HA ASN 114 HA ASN 114 -11.495 12.424 10.882 884 HB2 ASN 114 2HB ASN 114 -11.828 12.285 13.301 885 HB3 ASN 114 3HB ASN 114 -11.234 10.752 12.668 886 HD21 ASN 114 1HD2 ASN 114 -10.508 13.441 14.807 887 HD22 ASN 114 2HD2 ASN 114 -8.997 12.766 15.401 888 H LEU 115 H LEU 115 -8.384 13.676 11.063 889 HA LEU 115 HA LEU 115 -8.727 16.081 12.551 890 HB2 LEU 115 2HB LEU 115 -6.572 15.033 11.922 891 HB3 LEU 115 3HB LEU 115 -6.880 15.402 10.226 892 HG LEU 115 HG LEU 115 -6.708 17.830 10.725 893 HD11 LEU 115 1HD1 LEU 115 -5.795 18.546 12.926 894 HD12 LEU 115 2HD1 LEU 115 -6.005 16.893 13.547 895 HD13 LEU 115 3HD1 LEU 115 -7.418 17.872 13.088 896 HD21 LEU 115 3HD2 LEU 115 -4.728 16.546 10.041 897 HD22 LEU 115 1HD2 LEU 115 -4.369 16.167 11.740 898 HD23 LEU 115 2HD2 LEU 115 -4.292 17.847 11.160 899 H ASN 116 H ASN 116 -9.778 15.295 9.312 900 HA ASN 116 HA ASN 116 -10.437 18.151 8.703 901 HB2 ASN 116 2HB ASN 116 -9.426 15.978 6.815 902 HB3 ASN 116 3HB ASN 116 -9.914 17.601 6.336 903 HD21 ASN 116 2HD2 ASN 116 -8.645 19.447 7.328 904 HD22 ASN 116 1HD2 ASN 116 -6.939 19.150 7.632
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