NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27614 | 2ro5 | 11034 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 4.564 -12.951 6.463 2 H2 MET 1 HT2 MET 1 3.761 -14.330 7.032 3 H3 MET 1 HT3 MET 1 4.854 -13.508 8.033 4 HA MET 1 HA MET 1 2.287 -12.455 7.011 5 HB2 MET 1 HB2 MET 1 1.981 -14.143 8.761 6 HB3 MET 1 HB1 MET 1 3.108 -13.285 9.804 7 HG2 MET 1 HG2 MET 1 1.582 -11.351 9.815 8 HG3 MET 1 HG1 MET 1 0.441 -12.274 8.840 9 HE1 MET 1 HE1 MET 1 -0.585 -15.155 11.284 10 HE2 MET 1 HE2 MET 1 0.676 -15.180 10.050 11 HE3 MET 1 HE3 MET 1 -0.875 -14.409 9.711 12 H LYS 2 HN LYS 2 5.007 -11.909 9.272 13 HA LYS 2 HA LYS 2 5.873 -10.007 10.163 14 HB2 LYS 2 HB2 LYS 2 5.131 -9.173 7.420 15 HB3 LYS 2 HB1 LYS 2 5.557 -7.908 8.559 16 HG2 LYS 2 HG2 LYS 2 7.304 -10.256 7.847 17 HG3 LYS 2 HG1 LYS 2 7.448 -8.629 7.176 18 HD2 LYS 2 HD2 LYS 2 7.763 -9.404 10.074 19 HD3 LYS 2 HD1 LYS 2 9.057 -8.951 8.962 20 HE2 LYS 2 HE2 LYS 2 8.033 -6.732 8.703 21 HE3 LYS 2 HE1 LYS 2 6.775 -7.190 9.851 22 HZ1 LYS 2 HZ1 LYS 2 9.680 -6.901 10.394 23 HZ2 LYS 2 HZ2 LYS 2 8.576 -7.556 11.499 24 HZ3 LYS 2 HZ3 LYS 2 8.418 -5.939 11.001 25 H ALA 3 HN ALA 3 3.698 -8.060 8.508 26 HA ALA 3 HA ALA 3 1.801 -6.956 8.957 27 HB1 ALA 3 HB1 ALA 3 0.907 -9.121 9.658 28 HB2 ALA 3 HB2 ALA 3 0.218 -7.787 10.582 29 HB3 ALA 3 HB3 ALA 3 1.463 -8.809 11.302 30 H THR 4 HN THR 4 1.708 -4.977 9.627 31 HA THR 4 HA THR 4 2.688 -4.287 12.297 32 HB THR 4 HB THR 4 2.608 -1.915 11.361 33 HG1 THR 4 HG1 THR 4 1.669 -1.937 9.426 34 HG21 THR 4 HG21 THR 4 4.811 -2.132 10.311 35 HG22 THR 4 HG22 THR 4 4.577 -3.874 10.172 36 HG23 THR 4 HG23 THR 4 4.703 -3.123 11.766 37 H GLY 5 HN GLY 5 0.139 -3.527 9.973 38 HA2 GLY 5 HA2 GLY 5 -2.156 -3.584 10.328 39 HA3 GLY 5 HA1 GLY 5 -1.830 -3.964 12.018 40 H ILE 6 HN ILE 6 -0.926 -1.199 9.992 41 HA ILE 6 HA ILE 6 -2.371 0.513 11.891 42 HB ILE 6 HB ILE 6 -0.181 1.322 11.895 43 HG12 ILE 6 HG12 ILE 6 -0.233 3.491 10.696 44 HG13 ILE 6 HG11 ILE 6 -1.628 2.928 9.781 45 HG21 ILE 6 HG21 ILE 6 -0.091 1.035 8.901 46 HG22 ILE 6 HG22 ILE 6 0.726 0.009 10.080 47 HG23 ILE 6 HG23 ILE 6 1.196 1.702 9.908 48 HD11 ILE 6 HD11 ILE 6 -1.506 3.360 12.756 49 HD12 ILE 6 HD12 ILE 6 -2.902 2.754 11.863 50 HD13 ILE 6 HD13 ILE 6 -2.315 4.391 11.573 51 H VAL 7 HN VAL 7 -4.350 0.835 11.189 52 HA VAL 7 HA VAL 7 -4.993 0.783 8.380 53 HB VAL 7 HB VAL 7 -6.692 1.247 10.825 54 HG11 VAL 7 HG11 VAL 7 -7.616 1.193 7.951 55 HG12 VAL 7 HG12 VAL 7 -7.506 2.649 8.940 56 HG13 VAL 7 HG13 VAL 7 -8.632 1.363 9.385 57 HG21 VAL 7 HG21 VAL 7 -6.568 -0.943 8.756 58 HG22 VAL 7 HG22 VAL 7 -7.720 -0.866 10.088 59 HG23 VAL 7 HG23 VAL 7 -5.995 -1.041 10.421 60 H ARG 8 HN ARG 8 -5.397 2.479 7.037 61 HA ARG 8 HA ARG 8 -5.199 5.193 8.088 62 HB2 ARG 8 HB2 ARG 8 -3.068 5.061 7.146 63 HB3 ARG 8 HB1 ARG 8 -3.533 3.782 6.050 64 HG2 ARG 8 HG2 ARG 8 -2.927 5.869 4.876 65 HG3 ARG 8 HG1 ARG 8 -4.576 5.342 4.538 66 HD2 ARG 8 HD2 ARG 8 -4.483 7.738 4.856 67 HD3 ARG 8 HD1 ARG 8 -5.418 6.973 6.143 68 HE ARG 8 HE ARG 8 -3.204 7.189 7.444 69 HH11 ARG 8 HH11 ARG 8 -4.384 9.437 5.031 70 HH12 ARG 8 HH12 ARG 8 -3.593 10.818 5.735 71 HH21 ARG 8 HH21 ARG 8 -2.187 8.985 8.396 72 HH22 ARG 8 HH22 ARG 8 -2.341 10.563 7.670 73 H ARG 9 HN ARG 9 -7.047 6.218 7.454 74 HA ARG 9 HA ARG 9 -8.621 5.184 5.229 75 HB2 ARG 9 HB2 ARG 9 -9.453 6.300 7.439 76 HB3 ARG 9 HB1 ARG 9 -9.112 7.808 6.599 77 HG2 ARG 9 HG2 ARG 9 -11.196 7.658 5.856 78 HG3 ARG 9 HG1 ARG 9 -10.590 6.397 4.770 79 HD2 ARG 9 HD2 ARG 9 -12.612 5.772 6.149 80 HD3 ARG 9 HD1 ARG 9 -11.236 4.675 6.261 81 HE ARG 9 HE ARG 9 -10.739 6.160 8.364 82 HH11 ARG 9 HH11 ARG 9 -13.863 5.012 7.266 83 HH12 ARG 9 HH12 ARG 9 -14.545 4.947 8.861 84 HH21 ARG 9 HH21 ARG 9 -11.609 6.071 10.446 85 HH22 ARG 9 HH22 ARG 9 -13.256 5.567 10.691 86 H ILE 10 HN ILE 10 -7.726 5.530 3.320 87 HA ILE 10 HA ILE 10 -5.807 6.728 2.225 88 HB ILE 10 HB ILE 10 -7.416 7.738 0.339 89 HG12 ILE 10 HG12 ILE 10 -9.563 6.677 0.250 90 HG13 ILE 10 HG11 ILE 10 -9.184 5.641 1.623 91 HG21 ILE 10 HG21 ILE 10 -5.845 5.886 0.172 92 HG22 ILE 10 HG22 ILE 10 -7.359 5.557 -0.673 93 HG23 ILE 10 HG23 ILE 10 -7.039 4.814 0.900 94 HD11 ILE 10 HD11 ILE 10 -10.669 7.214 2.444 95 HD12 ILE 10 HD12 ILE 10 -9.880 8.543 1.602 96 HD13 ILE 10 HD13 ILE 10 -9.089 7.783 2.986 97 H ASP 11 HN ASP 11 -8.118 9.037 1.280 98 HA ASP 11 HA ASP 11 -8.071 11.120 2.939 99 HB2 ASP 11 HB2 ASP 11 -6.283 12.609 2.338 100 HB3 ASP 11 HB1 ASP 11 -5.560 11.089 2.811 101 H ASP 12 HN ASP 12 -7.632 13.276 1.190 102 HA ASP 12 HA ASP 12 -10.012 12.923 -0.409 103 HB2 ASP 12 HB2 ASP 12 -9.819 15.342 -0.831 104 HB3 ASP 12 HB1 ASP 12 -9.737 14.968 0.885 105 H LEU 13 HN LEU 13 -7.161 11.805 -1.055 106 HA LEU 13 HA LEU 13 -7.368 12.469 -3.914 107 HB2 LEU 13 HB2 LEU 13 -5.392 13.537 -2.715 108 HB3 LEU 13 HB1 LEU 13 -4.764 11.917 -2.505 109 HG LEU 13 HG LEU 13 -3.797 13.243 -4.419 110 HD11 LEU 13 HD11 LEU 13 -3.770 11.363 -5.973 111 HD12 LEU 13 HD12 LEU 13 -5.116 10.624 -5.105 112 HD13 LEU 13 HD13 LEU 13 -3.556 10.826 -4.306 113 HD21 LEU 13 HD21 LEU 13 -5.112 13.335 -6.487 114 HD22 LEU 13 HD22 LEU 13 -5.826 14.305 -5.199 115 HD23 LEU 13 HD23 LEU 13 -6.517 12.735 -5.607 116 H GLY 14 HN GLY 14 -5.927 10.153 -1.594 117 HA2 GLY 14 HA2 GLY 14 -6.985 7.847 -1.945 118 HA3 GLY 14 HA1 GLY 14 -6.404 8.040 -3.596 119 H ARG 15 HN ARG 15 -4.213 9.459 -1.443 120 HA ARG 15 HA ARG 15 -2.337 7.304 -1.887 121 HB2 ARG 15 HB2 ARG 15 -1.814 9.499 0.071 122 HB3 ARG 15 HB1 ARG 15 -0.670 8.600 -0.908 123 HG2 ARG 15 HG2 ARG 15 -0.586 10.375 -2.199 124 HG3 ARG 15 HG1 ARG 15 -2.216 9.952 -2.752 125 HD2 ARG 15 HD2 ARG 15 -3.232 11.438 -1.322 126 HD3 ARG 15 HD1 ARG 15 -1.863 11.449 -0.200 127 HE ARG 15 HE ARG 15 -0.855 12.571 -2.476 128 HH11 ARG 15 HH11 ARG 15 -3.650 13.294 -0.468 129 HH12 ARG 15 HH12 ARG 15 -3.633 14.994 -0.863 130 HH21 ARG 15 HH21 ARG 15 -0.831 14.772 -2.973 131 HH22 ARG 15 HH22 ARG 15 -2.022 15.841 -2.279 132 H VAL 16 HN VAL 16 -1.318 6.076 -0.309 133 HA VAL 16 HA VAL 16 -2.672 6.234 2.271 134 HB VAL 16 HB VAL 16 -2.595 4.049 2.627 135 HG11 VAL 16 HG11 VAL 16 -3.008 2.707 0.636 136 HG12 VAL 16 HG12 VAL 16 -2.386 4.026 -0.356 137 HG13 VAL 16 HG13 VAL 16 -3.851 4.256 0.601 138 HG21 VAL 16 HG21 VAL 16 -0.923 2.444 1.848 139 HG22 VAL 16 HG22 VAL 16 -0.206 3.794 2.728 140 HG23 VAL 16 HG23 VAL 16 -0.119 3.744 0.967 141 H VAL 17 HN VAL 17 -1.620 7.182 3.733 142 HA VAL 17 HA VAL 17 1.030 8.053 3.173 143 HB VAL 17 HB VAL 17 -0.548 8.401 5.725 144 HG11 VAL 17 HG11 VAL 17 1.854 9.879 4.660 145 HG12 VAL 17 HG12 VAL 17 1.823 8.783 6.044 146 HG13 VAL 17 HG13 VAL 17 0.945 10.312 6.111 147 HG21 VAL 17 HG21 VAL 17 -1.068 10.658 4.792 148 HG22 VAL 17 HG22 VAL 17 -1.816 9.325 3.910 149 HG23 VAL 17 HG23 VAL 17 -0.387 10.128 3.251 150 H ILE 18 HN ILE 18 2.468 6.430 3.192 151 HA ILE 18 HA ILE 18 2.489 4.464 5.304 152 HB ILE 18 HB ILE 18 4.312 4.882 2.918 153 HG12 ILE 18 HG12 ILE 18 2.053 4.034 2.421 154 HG13 ILE 18 HG11 ILE 18 3.299 2.839 2.079 155 HG21 ILE 18 HG21 ILE 18 5.605 3.949 4.767 156 HG22 ILE 18 HG22 ILE 18 5.357 2.746 3.501 157 HG23 ILE 18 HG23 ILE 18 4.401 2.678 4.983 158 HD11 ILE 18 HD11 ILE 18 1.374 1.816 3.124 159 HD12 ILE 18 HD12 ILE 18 1.526 2.904 4.505 160 HD13 ILE 18 HD13 ILE 18 2.783 1.710 4.179 161 HA PRO 19 HA PRO 19 4.896 7.197 7.989 162 HB2 PRO 19 HB2 PRO 19 4.941 4.468 9.215 163 HB3 PRO 19 HB1 PRO 19 4.776 6.040 10.006 164 HG2 PRO 19 HG2 PRO 19 2.625 4.585 9.635 165 HG3 PRO 19 HG1 PRO 19 2.580 6.319 9.246 166 HD2 PRO 19 HD2 PRO 19 2.773 3.974 7.402 167 HD3 PRO 19 HD1 PRO 19 1.888 5.505 7.202 168 H LYS 20 HN LYS 20 7.026 7.457 8.232 169 HA LYS 20 HA LYS 20 8.748 6.136 6.476 170 HB2 LYS 20 HB2 LYS 20 10.586 7.308 7.629 171 HB3 LYS 20 HB1 LYS 20 9.279 8.376 7.145 172 HG2 LYS 20 HG2 LYS 20 9.437 7.242 9.908 173 HG3 LYS 20 HG1 LYS 20 10.299 8.715 9.457 174 HD2 LYS 20 HD2 LYS 20 7.346 8.285 9.104 175 HD3 LYS 20 HD1 LYS 20 8.067 9.079 10.510 176 HE2 LYS 20 HE2 LYS 20 8.241 9.983 7.632 177 HE3 LYS 20 HE1 LYS 20 7.263 10.725 8.895 178 HZ1 LYS 20 HZ1 LYS 20 10.229 10.636 8.751 179 HZ2 LYS 20 HZ2 LYS 20 9.364 11.193 10.099 180 HZ3 LYS 20 HZ3 LYS 20 9.230 12.004 8.612 181 H GLU 21 HN GLU 21 7.607 5.236 9.540 182 HA GLU 21 HA GLU 21 9.818 3.811 10.519 183 HB2 GLU 21 HB2 GLU 21 8.194 2.650 11.952 184 HB3 GLU 21 HB1 GLU 21 7.958 4.392 11.943 185 HG2 GLU 21 HG2 GLU 21 6.186 3.967 10.166 186 HG3 GLU 21 HG1 GLU 21 6.294 2.273 10.643 187 H ILE 22 HN ILE 22 7.679 3.034 7.904 188 HA ILE 22 HA ILE 22 8.254 0.176 8.143 189 HB ILE 22 HB ILE 22 6.605 1.599 6.037 190 HG12 ILE 22 HG12 ILE 22 4.838 0.084 7.397 191 HG13 ILE 22 HG11 ILE 22 5.975 0.445 8.692 192 HG21 ILE 22 HG21 ILE 22 5.835 -0.659 5.445 193 HG22 ILE 22 HG22 ILE 22 6.951 -1.343 6.627 194 HG23 ILE 22 HG23 ILE 22 7.575 -0.481 5.222 195 HD11 ILE 22 HD11 ILE 22 4.525 2.465 7.008 196 HD12 ILE 22 HD12 ILE 22 5.680 2.826 8.293 197 HD13 ILE 22 HD13 ILE 22 4.154 2.028 8.676 198 H ARG 23 HN ARG 23 8.701 2.928 5.967 199 HA ARG 23 HA ARG 23 10.541 1.749 4.187 200 HB2 ARG 23 HB2 ARG 23 9.835 3.704 3.290 201 HB3 ARG 23 HB1 ARG 23 9.566 4.437 4.862 202 HG2 ARG 23 HG2 ARG 23 12.374 4.077 4.312 203 HG3 ARG 23 HG1 ARG 23 11.568 5.043 3.082 204 HD2 ARG 23 HD2 ARG 23 11.232 5.546 6.018 205 HD3 ARG 23 HD1 ARG 23 12.511 6.286 5.066 206 HE ARG 23 HE ARG 23 9.687 6.643 4.330 207 HH11 ARG 23 HH11 ARG 23 12.803 7.987 5.213 208 HH12 ARG 23 HH12 ARG 23 12.332 9.624 4.857 209 HH21 ARG 23 HH21 ARG 23 9.066 8.825 3.900 210 HH22 ARG 23 HH22 ARG 23 10.228 10.098 4.137 211 H ARG 24 HN ARG 24 10.820 3.163 7.319 212 HA ARG 24 HA ARG 24 13.579 3.242 7.597 213 HB2 ARG 24 HB2 ARG 24 12.246 4.329 9.208 214 HB3 ARG 24 HB1 ARG 24 11.328 2.876 9.555 215 HG2 ARG 24 HG2 ARG 24 13.166 1.912 10.720 216 HG3 ARG 24 HG1 ARG 24 14.239 3.222 10.209 217 HD2 ARG 24 HD2 ARG 24 11.755 3.643 11.867 218 HD3 ARG 24 HD1 ARG 24 13.367 3.422 12.560 219 HE ARG 24 HE ARG 24 13.831 5.450 10.925 220 HH11 ARG 24 HH11 ARG 24 11.077 4.923 13.037 221 HH12 ARG 24 HH12 ARG 24 10.818 6.618 13.328 222 HH21 ARG 24 HH21 ARG 24 13.483 7.689 11.316 223 HH22 ARG 24 HH22 ARG 24 12.168 8.175 12.349 224 H THR 25 HN THR 25 11.298 0.548 8.579 225 HA THR 25 HA THR 25 13.322 -1.303 9.024 226 HB THR 25 HB THR 25 10.571 -1.875 7.903 227 HG1 THR 25 HG1 THR 25 9.776 -1.555 9.906 228 HG21 THR 25 HG21 THR 25 12.376 -3.486 9.714 229 HG22 THR 25 HG22 THR 25 12.083 -3.809 8.005 230 HG23 THR 25 HG23 THR 25 10.767 -3.960 9.171 231 H LEU 26 HN LEU 26 11.867 -0.140 6.066 232 HA LEU 26 HA LEU 26 13.023 -2.035 4.291 233 HB2 LEU 26 HB2 LEU 26 11.666 0.578 4.099 234 HB3 LEU 26 HB1 LEU 26 12.798 0.247 2.797 235 HG LEU 26 HG LEU 26 10.631 -0.412 2.061 236 HD11 LEU 26 HD11 LEU 26 12.443 -1.868 1.400 237 HD12 LEU 26 HD12 LEU 26 10.956 -2.790 1.621 238 HD13 LEU 26 HD13 LEU 26 12.216 -2.843 2.853 239 HD21 LEU 26 HD21 LEU 26 9.513 -0.635 4.209 240 HD22 LEU 26 HD22 LEU 26 10.446 -2.090 4.564 241 HD23 LEU 26 HD23 LEU 26 9.279 -2.090 3.241 242 H ARG 27 HN ARG 27 14.301 0.587 6.072 243 HA ARG 27 HA ARG 27 16.293 1.631 6.217 244 HB2 ARG 27 HB2 ARG 27 17.065 -0.745 4.588 245 HB3 ARG 27 HB1 ARG 27 18.228 0.543 4.861 246 HG2 ARG 27 HG2 ARG 27 18.711 -0.956 6.549 247 HG3 ARG 27 HG1 ARG 27 17.655 0.203 7.358 248 HD2 ARG 27 HD2 ARG 27 17.039 -2.075 7.941 249 HD3 ARG 27 HD1 ARG 27 15.755 -1.301 7.014 250 HE ARG 27 HE ARG 27 17.006 -2.542 5.059 251 HH11 ARG 27 HH11 ARG 27 16.213 -3.721 8.261 252 HH12 ARG 27 HH12 ARG 27 16.147 -5.386 7.766 253 HH21 ARG 27 HH21 ARG 27 16.899 -4.719 4.403 254 HH22 ARG 27 HH22 ARG 27 16.515 -5.958 5.573 255 H ILE 28 HN ILE 28 14.327 2.220 4.097 256 HA ILE 28 HA ILE 28 16.104 3.456 2.096 257 HB ILE 28 HB ILE 28 13.184 2.923 1.594 258 HG12 ILE 28 HG12 ILE 28 15.505 0.998 1.237 259 HG13 ILE 28 HG11 ILE 28 14.156 0.795 2.344 260 HG21 ILE 28 HG21 ILE 28 14.529 4.336 0.015 261 HG22 ILE 28 HG22 ILE 28 13.917 2.864 -0.729 262 HG23 ILE 28 HG23 ILE 28 15.606 2.965 -0.235 263 HD11 ILE 28 HD11 ILE 28 12.636 0.566 0.475 264 HD12 ILE 28 HD12 ILE 28 13.948 -0.606 0.366 265 HD13 ILE 28 HD13 ILE 28 13.964 0.832 -0.655 266 H ARG 29 HN ARG 29 13.900 5.140 1.081 267 HA ARG 29 HA ARG 29 13.393 7.021 3.178 268 HB2 ARG 29 HB2 ARG 29 14.967 8.696 2.637 269 HB3 ARG 29 HB1 ARG 29 15.887 7.205 2.700 270 HG2 ARG 29 HG2 ARG 29 15.044 8.760 0.269 271 HG3 ARG 29 HG1 ARG 29 16.681 8.439 0.841 272 HD2 ARG 29 HD2 ARG 29 16.295 6.021 0.382 273 HD3 ARG 29 HD1 ARG 29 14.714 6.446 -0.293 274 HE ARG 29 HE ARG 29 16.522 8.007 -1.659 275 HH11 ARG 29 HH11 ARG 29 16.189 4.550 -1.132 276 HH12 ARG 29 HH12 ARG 29 16.823 4.123 -2.692 277 HH21 ARG 29 HH21 ARG 29 17.348 7.448 -3.696 278 HH22 ARG 29 HH22 ARG 29 17.479 5.773 -4.157 279 H GLU 30 HN GLU 30 13.381 9.373 1.598 280 HA GLU 30 HA GLU 30 10.911 9.135 0.219 281 HB2 GLU 30 HB2 GLU 30 12.934 11.350 0.458 282 HB3 GLU 30 HB1 GLU 30 11.439 11.525 -0.459 283 HG2 GLU 30 HG2 GLU 30 10.820 12.359 1.566 284 HG3 GLU 30 HG1 GLU 30 10.326 10.668 1.689 285 H GLY 31 HN GLY 31 13.005 7.497 -0.870 286 HA2 GLY 31 HA2 GLY 31 12.445 8.142 -3.649 287 HA3 GLY 31 HA1 GLY 31 14.148 7.941 -3.213 288 H ASP 32 HN ASP 32 11.767 6.202 -1.494 289 HA ASP 32 HA ASP 32 12.693 3.657 -2.509 290 HB2 ASP 32 HB2 ASP 32 12.247 3.840 -0.127 291 HB3 ASP 32 HB1 ASP 32 10.606 4.391 -0.443 292 HA PRO 33 HA PRO 33 9.268 3.547 -5.328 293 HB2 PRO 33 HB2 PRO 33 10.299 1.320 -6.641 294 HB3 PRO 33 HB1 PRO 33 10.559 3.005 -7.094 295 HG2 PRO 33 HG2 PRO 33 12.503 1.195 -6.110 296 HG3 PRO 33 HG1 PRO 33 12.700 2.931 -6.389 297 HD2 PRO 33 HD2 PRO 33 12.198 1.470 -3.846 298 HD3 PRO 33 HD1 PRO 33 13.011 3.031 -4.120 299 H LEU 34 HN LEU 34 7.442 2.261 -5.424 300 HA LEU 34 HA LEU 34 7.647 -0.390 -4.262 301 HB2 LEU 34 HB2 LEU 34 5.289 1.353 -3.604 302 HB3 LEU 34 HB1 LEU 34 5.801 -0.140 -2.828 303 HG LEU 34 HG LEU 34 7.923 1.612 -2.438 304 HD11 LEU 34 HD11 LEU 34 5.307 3.029 -1.980 305 HD12 LEU 34 HD12 LEU 34 6.556 3.481 -3.141 306 HD13 LEU 34 HD13 LEU 34 6.883 3.575 -1.410 307 HD21 LEU 34 HD21 LEU 34 7.096 -0.072 -0.869 308 HD22 LEU 34 HD22 LEU 34 5.657 0.904 -0.575 309 HD23 LEU 34 HD23 LEU 34 7.243 1.504 -0.093 310 H GLU 35 HN GLU 35 6.031 -1.728 -4.861 311 HA GLU 35 HA GLU 35 4.908 -1.095 -7.507 312 HB2 GLU 35 HB2 GLU 35 6.494 -3.004 -7.569 313 HB3 GLU 35 HB1 GLU 35 5.518 -3.825 -6.356 314 HG2 GLU 35 HG2 GLU 35 3.638 -3.947 -7.872 315 HG3 GLU 35 HG1 GLU 35 4.539 -3.046 -9.092 316 H ILE 36 HN ILE 36 2.849 -0.551 -7.314 317 HA ILE 36 HA ILE 36 1.315 -1.499 -5.054 318 HB ILE 36 HB ILE 36 0.789 0.484 -7.278 319 HG12 ILE 36 HG12 ILE 36 0.449 2.038 -5.316 320 HG13 ILE 36 HG11 ILE 36 1.033 0.744 -4.279 321 HG21 ILE 36 HG21 ILE 36 -1.398 0.946 -6.242 322 HG22 ILE 36 HG22 ILE 36 -1.172 -0.459 -5.199 323 HG23 ILE 36 HG23 ILE 36 -1.293 -0.667 -6.947 324 HD11 ILE 36 HD11 ILE 36 2.771 2.370 -4.754 325 HD12 ILE 36 HD12 ILE 36 2.593 2.073 -6.483 326 HD13 ILE 36 HD13 ILE 36 3.180 0.792 -5.422 327 H PHE 37 HN PHE 37 0.574 -3.485 -5.265 328 HA PHE 37 HA PHE 37 -1.176 -4.035 -7.494 329 HB2 PHE 37 HB2 PHE 37 -0.101 -5.893 -8.378 330 HB3 PHE 37 HB1 PHE 37 1.242 -4.822 -8.036 331 HD1 PHE 37 HD2 PHE 37 2.798 -5.307 -6.230 332 HD2 PHE 37 HD1 PHE 37 -0.400 -7.951 -7.166 333 HE1 PHE 37 HE2 PHE 37 3.892 -7.089 -4.936 334 HE2 PHE 37 HE1 PHE 37 0.689 -9.739 -5.876 335 HZ PHE 37 HZ PHE 37 2.840 -9.307 -4.757 336 H VAL 38 HN VAL 38 -2.921 -4.998 -6.808 337 HA VAL 38 HA VAL 38 -3.107 -5.693 -4.014 338 HB VAL 38 HB VAL 38 -4.972 -4.492 -4.882 339 HG11 VAL 38 HG11 VAL 38 -5.140 -6.559 -7.072 340 HG12 VAL 38 HG12 VAL 38 -4.647 -4.874 -7.248 341 HG13 VAL 38 HG13 VAL 38 -6.310 -5.265 -6.809 342 HG21 VAL 38 HG21 VAL 38 -5.641 -6.260 -3.352 343 HG22 VAL 38 HG22 VAL 38 -5.804 -7.385 -4.702 344 HG23 VAL 38 HG23 VAL 38 -6.883 -5.996 -4.577 345 H ASP 39 HN ASP 39 -3.526 -7.673 -3.153 346 HA ASP 39 HA ASP 39 -2.473 -9.873 -4.726 347 HB2 ASP 39 HB2 ASP 39 -1.723 -9.447 -2.372 348 HB3 ASP 39 HB1 ASP 39 -3.356 -9.888 -1.834 349 H ARG 40 HN ARG 40 -5.481 -8.998 -3.119 350 HA ARG 40 HA ARG 40 -6.701 -11.384 -4.228 351 HB2 ARG 40 HB2 ARG 40 -7.780 -11.453 -1.751 352 HB3 ARG 40 HB1 ARG 40 -6.403 -12.411 -2.271 353 HG2 ARG 40 HG2 ARG 40 -5.126 -10.199 -1.537 354 HG3 ARG 40 HG1 ARG 40 -6.509 -10.090 -0.461 355 HD2 ARG 40 HD2 ARG 40 -6.021 -12.492 0.179 356 HD3 ARG 40 HD1 ARG 40 -4.497 -12.299 -0.694 357 HE ARG 40 HE ARG 40 -5.281 -10.631 1.617 358 HH11 ARG 40 HH11 ARG 40 -2.830 -12.334 -0.234 359 HH12 ARG 40 HH12 ARG 40 -1.561 -12.006 0.917 360 HH21 ARG 40 HH21 ARG 40 -3.619 -10.128 3.069 361 HH22 ARG 40 HH22 ARG 40 -2.011 -10.736 2.795 362 H ASP 41 HN ASP 41 -8.121 -9.390 -1.695 363 HA ASP 41 HA ASP 41 -10.238 -8.718 -3.612 364 HB2 ASP 41 HB2 ASP 41 -11.039 -9.872 -1.630 365 HB3 ASP 41 HB1 ASP 41 -10.266 -8.682 -0.588 366 H GLY 42 HN GLY 42 -9.011 -7.104 -0.704 367 HA2 GLY 42 HA2 GLY 42 -8.729 -4.654 -2.315 368 HA3 GLY 42 HA1 GLY 42 -9.602 -4.626 -0.789 369 H GLU 43 HN GLU 43 -6.858 -6.683 -1.070 370 HA GLU 43 HA GLU 43 -5.350 -4.888 0.678 371 HB2 GLU 43 HB2 GLU 43 -4.250 -7.555 -0.012 372 HB3 GLU 43 HB1 GLU 43 -4.278 -6.714 1.535 373 HG2 GLU 43 HG2 GLU 43 -6.862 -7.193 1.349 374 HG3 GLU 43 HG1 GLU 43 -6.297 -8.501 0.306 375 H VAL 44 HN VAL 44 -4.158 -3.499 -0.384 376 HA VAL 44 HA VAL 44 -2.986 -4.194 -2.958 377 HB VAL 44 HB VAL 44 -2.320 -1.628 -1.616 378 HG11 VAL 44 HG11 VAL 44 -1.378 -2.141 -3.777 379 HG12 VAL 44 HG12 VAL 44 -2.512 -0.800 -3.935 380 HG13 VAL 44 HG13 VAL 44 -2.981 -2.422 -4.453 381 HG21 VAL 44 HG21 VAL 44 -4.417 -0.587 -2.380 382 HG22 VAL 44 HG22 VAL 44 -4.715 -1.826 -1.160 383 HG23 VAL 44 HG23 VAL 44 -5.025 -2.171 -2.861 384 H ILE 45 HN ILE 45 -0.898 -4.562 -3.273 385 HA ILE 45 HA ILE 45 0.769 -4.731 -0.856 386 HB ILE 45 HB ILE 45 0.769 -6.369 -3.389 387 HG12 ILE 45 HG12 ILE 45 0.500 -8.262 -1.836 388 HG13 ILE 45 HG11 ILE 45 0.548 -7.157 -0.469 389 HG21 ILE 45 HG21 ILE 45 3.065 -5.906 -2.952 390 HG22 ILE 45 HG22 ILE 45 2.740 -7.551 -2.406 391 HG23 ILE 45 HG23 ILE 45 2.864 -6.242 -1.232 392 HD11 ILE 45 HD11 ILE 45 -1.573 -7.195 -2.585 393 HD12 ILE 45 HD12 ILE 45 -1.543 -6.209 -1.115 394 HD13 ILE 45 HD13 ILE 45 -1.692 -7.966 -1.001 395 H LEU 46 HN LEU 46 2.335 -3.294 -0.801 396 HA LEU 46 HA LEU 46 3.289 -1.992 -3.260 397 HB2 LEU 46 HB2 LEU 46 3.956 -1.084 -0.479 398 HB3 LEU 46 HB1 LEU 46 3.815 -0.131 -1.946 399 HG LEU 46 HG LEU 46 1.447 -1.445 -0.656 400 HD11 LEU 46 HD11 LEU 46 2.549 1.329 -0.192 401 HD12 LEU 46 HD12 LEU 46 2.462 0.024 0.992 402 HD13 LEU 46 HD13 LEU 46 0.980 0.749 0.367 403 HD21 LEU 46 HD21 LEU 46 0.200 0.219 -1.930 404 HD22 LEU 46 HD22 LEU 46 1.214 -0.759 -2.996 405 HD23 LEU 46 HD23 LEU 46 1.708 0.878 -2.565 406 H LYS 47 HN LYS 47 5.139 -2.652 -4.011 407 HA LYS 47 HA LYS 47 7.005 -4.087 -2.224 408 HB2 LYS 47 HB2 LYS 47 6.088 -5.690 -3.576 409 HB3 LYS 47 HB1 LYS 47 5.854 -4.581 -4.911 410 HG2 LYS 47 HG2 LYS 47 8.446 -4.657 -5.069 411 HG3 LYS 47 HG1 LYS 47 8.251 -6.166 -4.164 412 HD2 LYS 47 HD2 LYS 47 6.918 -5.449 -6.770 413 HD3 LYS 47 HD1 LYS 47 8.216 -6.634 -6.548 414 HE2 LYS 47 HE2 LYS 47 6.728 -7.953 -5.102 415 HE3 LYS 47 HE1 LYS 47 5.443 -6.772 -5.362 416 HZ1 LYS 47 HZ1 LYS 47 5.284 -8.781 -6.777 417 HZ2 LYS 47 HZ2 LYS 47 6.724 -8.326 -7.540 418 HZ3 LYS 47 HZ3 LYS 47 5.357 -7.330 -7.661 419 H LYS 48 HN LYS 48 9.061 -3.422 -2.161 420 HA LYS 48 HA LYS 48 9.839 -0.905 -2.727 421 HB2 LYS 48 HB2 LYS 48 12.234 -1.949 -2.657 422 HB3 LYS 48 HB1 LYS 48 11.185 -1.896 -1.237 423 HG2 LYS 48 HG2 LYS 48 10.410 -4.235 -2.312 424 HG3 LYS 48 HG1 LYS 48 12.091 -4.183 -2.859 425 HD2 LYS 48 HD2 LYS 48 11.202 -3.776 -0.020 426 HD3 LYS 48 HD1 LYS 48 11.779 -5.317 -0.664 427 HE2 LYS 48 HE2 LYS 48 13.884 -4.026 -1.330 428 HE3 LYS 48 HE1 LYS 48 13.288 -2.746 -0.272 429 HZ1 LYS 48 HZ1 LYS 48 13.628 -5.547 0.645 430 HZ2 LYS 48 HZ2 LYS 48 13.407 -4.160 1.596 431 HZ3 LYS 48 HZ3 LYS 48 14.867 -4.394 0.769 432 H TYR 49 HN TYR 49 9.840 -3.354 -5.135 433 HA TYR 49 HA TYR 49 9.961 -3.117 -7.397 434 HB2 TYR 49 HB2 TYR 49 9.128 -0.883 -7.318 435 HB3 TYR 49 HB1 TYR 49 10.666 -0.291 -6.701 436 HD1 TYR 49 HD2 TYR 49 9.638 -2.363 -9.654 437 HD2 TYR 49 HD1 TYR 49 11.828 0.990 -8.213 438 HE1 TYR 49 HE2 TYR 49 10.444 -1.915 -11.932 439 HE2 TYR 49 HE1 TYR 49 12.643 1.441 -10.485 440 HH TYR 49 HH TYR 49 11.324 -0.049 -13.245 441 H SER 50 HN SER 50 12.619 -1.308 -5.851 442 HA SER 50 HA SER 50 14.458 -1.559 -7.899 443 HB2 SER 50 HB2 SER 50 16.182 -1.147 -6.024 444 HB3 SER 50 HB1 SER 50 14.944 0.074 -6.301 445 HG SER 50 HG SER 50 14.126 -0.312 -4.395 446 HA PRO 51 HA PRO 51 15.744 -5.834 -6.451 447 HB2 PRO 51 HB2 PRO 51 14.887 -6.826 -4.123 448 HB3 PRO 51 HB1 PRO 51 16.276 -5.741 -4.206 449 HG2 PRO 51 HG2 PRO 51 13.619 -5.278 -3.080 450 HG3 PRO 51 HG1 PRO 51 15.089 -4.304 -2.901 451 HD2 PRO 51 HD2 PRO 51 12.827 -3.960 -4.697 452 HD3 PRO 51 HD1 PRO 51 14.112 -2.807 -4.289 453 H ILE 52 HN ILE 52 12.846 -4.819 -7.037 454 HA ILE 52 HA ILE 52 10.716 -5.542 -7.275 455 HB ILE 52 HB ILE 52 11.722 -8.352 -7.581 456 HG12 ILE 52 HG12 ILE 52 12.122 -6.061 -9.513 457 HG13 ILE 52 HG11 ILE 52 13.383 -6.937 -8.641 458 HG21 ILE 52 HG21 ILE 52 9.314 -7.864 -7.857 459 HG22 ILE 52 HG22 ILE 52 10.044 -8.379 -9.378 460 HG23 ILE 52 HG23 ILE 52 9.706 -6.669 -9.094 461 HD11 ILE 52 HD11 ILE 52 11.549 -8.095 -10.735 462 HD12 ILE 52 HD12 ILE 52 12.812 -8.970 -9.869 463 HD13 ILE 52 HD13 ILE 52 13.241 -7.653 -10.961 464 H SER 53 HN SER 53 10.416 -8.610 -6.362 465 HA SER 53 HA SER 53 9.854 -7.818 -3.620 466 HB2 SER 53 HB2 SER 53 8.302 -9.849 -3.688 467 HB3 SER 53 HB1 SER 53 7.857 -8.467 -4.693 468 HG SER 53 HG SER 53 8.209 -10.942 -5.479 469 H GLU 54 HN GLU 54 12.263 -9.199 -5.107 470 HA GLU 54 HA GLU 54 13.372 -10.660 -3.050 471 HB2 GLU 54 HB2 GLU 54 12.955 -13.015 -3.755 472 HB3 GLU 54 HB1 GLU 54 11.524 -12.195 -3.148 473 HG2 GLU 54 HG2 GLU 54 10.980 -11.704 -5.592 474 HG3 GLU 54 HG1 GLU 54 12.208 -12.909 -5.976 475 H LEU 55 HN LEU 55 12.968 -10.405 -6.516 476 HA LEU 55 HA LEU 55 14.367 -10.566 -8.285 477 HB2 LEU 55 HB2 LEU 55 16.450 -10.367 -6.124 478 HB3 LEU 55 HB1 LEU 55 16.890 -10.619 -7.802 479 HG LEU 55 HG LEU 55 15.374 -8.242 -6.721 480 HD11 LEU 55 HD11 LEU 55 18.204 -8.496 -7.730 481 HD12 LEU 55 HD12 LEU 55 17.720 -8.270 -6.050 482 HD13 LEU 55 HD13 LEU 55 17.408 -7.001 -7.234 483 HD21 LEU 55 HD21 LEU 55 15.774 -7.327 -8.998 484 HD22 LEU 55 HD22 LEU 55 14.668 -8.700 -8.964 485 HD23 LEU 55 HD23 LEU 55 16.337 -8.924 -9.496 486 H1 MET 1 HT1 MET 1 -3.537 -12.884 -5.337 487 H2 MET 1 HT2 MET 1 -3.012 -14.430 -5.790 488 H3 MET 1 HT3 MET 1 -4.267 -13.674 -6.647 489 HA MET 1 HA MET 1 -1.452 -12.772 -6.517 490 HB2 MET 1 HB2 MET 1 -1.632 -14.703 -7.947 491 HB3 MET 1 HB1 MET 1 -3.061 -14.046 -8.738 492 HG2 MET 1 HG2 MET 1 -1.718 -12.246 -9.683 493 HG3 MET 1 HG1 MET 1 -0.287 -12.879 -8.874 494 HE1 MET 1 HE1 MET 1 1.046 -14.965 -9.612 495 HE2 MET 1 HE2 MET 1 0.441 -16.174 -10.744 496 HE3 MET 1 HE3 MET 1 -0.366 -15.936 -9.194 497 H LYS 2 HN LYS 2 -4.384 -12.351 -8.534 498 HA LYS 2 HA LYS 2 -5.190 -10.542 -9.633 499 HB2 LYS 2 HB2 LYS 2 -4.541 -9.469 -6.944 500 HB3 LYS 2 HB1 LYS 2 -4.996 -8.337 -8.208 501 HG2 LYS 2 HG2 LYS 2 -6.644 -10.664 -7.248 502 HG3 LYS 2 HG1 LYS 2 -6.909 -8.958 -6.867 503 HD2 LYS 2 HD2 LYS 2 -7.024 -10.208 -9.613 504 HD3 LYS 2 HD1 LYS 2 -8.405 -9.681 -8.649 505 HE2 LYS 2 HE2 LYS 2 -7.607 -7.382 -8.732 506 HE3 LYS 2 HE1 LYS 2 -6.188 -7.892 -9.650 507 HZ1 LYS 2 HZ1 LYS 2 -9.004 -8.180 -10.558 508 HZ2 LYS 2 HZ2 LYS 2 -7.616 -8.579 -11.449 509 HZ3 LYS 2 HZ3 LYS 2 -7.939 -6.959 -11.063 510 H ALA 3 HN ALA 3 -3.121 -8.430 -8.059 511 HA ALA 3 HA ALA 3 -1.236 -7.305 -8.535 512 HB1 ALA 3 HB1 ALA 3 -0.818 -9.205 -10.832 513 HB2 ALA 3 HB2 ALA 3 -0.278 -9.480 -9.176 514 HB3 ALA 3 HB3 ALA 3 0.386 -8.137 -10.106 515 H THR 4 HN THR 4 -1.187 -5.375 -9.258 516 HA THR 4 HA THR 4 -2.202 -4.779 -11.938 517 HB THR 4 HB THR 4 -2.143 -2.375 -11.041 518 HG1 THR 4 HG1 THR 4 -1.296 -2.353 -9.066 519 HG21 THR 4 HG21 THR 4 -4.375 -2.587 -10.083 520 HG22 THR 4 HG22 THR 4 -4.133 -4.322 -9.873 521 HG23 THR 4 HG23 THR 4 -4.210 -3.633 -11.495 522 H GLY 5 HN GLY 5 0.331 -3.872 -9.640 523 HA2 GLY 5 HA2 GLY 5 2.616 -3.878 -9.970 524 HA3 GLY 5 HA1 GLY 5 2.347 -4.338 -11.640 525 H ILE 6 HN ILE 6 1.331 -1.523 -9.739 526 HA ILE 6 HA ILE 6 2.715 0.155 -11.713 527 HB ILE 6 HB ILE 6 0.497 0.891 -11.743 528 HG12 ILE 6 HG12 ILE 6 0.458 3.099 -10.609 529 HG13 ILE 6 HG11 ILE 6 1.884 2.629 -9.690 530 HG21 ILE 6 HG21 ILE 6 0.413 0.737 -8.737 531 HG22 ILE 6 HG22 ILE 6 -0.318 -0.409 -9.858 532 HG23 ILE 6 HG23 ILE 6 -0.908 1.251 -9.787 533 HD11 ILE 6 HD11 ILE 6 3.132 2.426 -11.810 534 HD12 ILE 6 HD12 ILE 6 2.527 4.054 -11.506 535 HD13 ILE 6 HD13 ILE 6 1.705 3.010 -12.670 536 H VAL 7 HN VAL 7 4.689 0.568 -11.027 537 HA VAL 7 HA VAL 7 5.319 0.691 -8.217 538 HB VAL 7 HB VAL 7 7.010 1.019 -10.681 539 HG11 VAL 7 HG11 VAL 7 7.960 1.314 -7.830 540 HG12 VAL 7 HG12 VAL 7 7.723 2.664 -8.938 541 HG13 VAL 7 HG13 VAL 7 8.939 1.432 -9.294 542 HG21 VAL 7 HG21 VAL 7 8.190 -0.930 -9.569 543 HG22 VAL 7 HG22 VAL 7 6.546 -1.249 -10.134 544 HG23 VAL 7 HG23 VAL 7 6.851 -0.969 -8.420 545 H ARG 8 HN ARG 8 5.691 2.447 -6.973 546 HA ARG 8 HA ARG 8 5.482 5.092 -8.164 547 HB2 ARG 8 HB2 ARG 8 3.388 5.247 -7.300 548 HB3 ARG 8 HB1 ARG 8 3.565 3.759 -6.390 549 HG2 ARG 8 HG2 ARG 8 3.078 5.553 -4.871 550 HG3 ARG 8 HG1 ARG 8 4.748 5.045 -4.606 551 HD2 ARG 8 HD2 ARG 8 4.624 7.437 -4.574 552 HD3 ARG 8 HD1 ARG 8 5.516 6.899 -6.007 553 HE ARG 8 HE ARG 8 2.954 7.203 -6.905 554 HH11 ARG 8 HH11 ARG 8 5.128 9.288 -5.117 555 HH12 ARG 8 HH12 ARG 8 4.609 10.738 -5.934 556 HH21 ARG 8 HH21 ARG 8 2.249 9.118 -7.959 557 HH22 ARG 8 HH22 ARG 8 2.965 10.637 -7.529 558 H ARG 9 HN ARG 9 7.288 6.149 -7.522 559 HA ARG 9 HA ARG 9 8.779 5.271 -5.201 560 HB2 ARG 9 HB2 ARG 9 9.752 6.249 -7.356 561 HB3 ARG 9 HB1 ARG 9 9.199 7.809 -6.749 562 HG2 ARG 9 HG2 ARG 9 10.741 7.879 -5.099 563 HG3 ARG 9 HG1 ARG 9 10.883 6.118 -4.993 564 HD2 ARG 9 HD2 ARG 9 12.867 7.218 -6.021 565 HD3 ARG 9 HD1 ARG 9 12.076 6.042 -7.072 566 HE ARG 9 HE ARG 9 11.405 8.888 -7.348 567 HH11 ARG 9 HH11 ARG 9 12.870 5.986 -8.658 568 HH12 ARG 9 HH12 ARG 9 12.962 6.598 -10.277 569 HH21 ARG 9 HH21 ARG 9 11.502 9.695 -9.489 570 HH22 ARG 9 HH22 ARG 9 12.178 8.710 -10.751 571 H ILE 10 HN ILE 10 7.897 5.656 -3.339 572 HA ILE 10 HA ILE 10 5.926 6.811 -2.286 573 HB ILE 10 HB ILE 10 7.501 7.923 -0.428 574 HG12 ILE 10 HG12 ILE 10 9.678 6.910 -0.319 575 HG13 ILE 10 HG11 ILE 10 9.328 5.864 -1.688 576 HG21 ILE 10 HG21 ILE 10 7.757 5.504 0.411 577 HG22 ILE 10 HG22 ILE 10 6.837 5.080 -1.044 578 HG23 ILE 10 HG23 ILE 10 6.141 6.165 0.163 579 HD11 ILE 10 HD11 ILE 10 10.758 7.466 -2.530 580 HD12 ILE 10 HD12 ILE 10 9.956 8.779 -1.673 581 HD13 ILE 10 HD13 ILE 10 9.159 8.010 -3.049 582 H ASP 11 HN ASP 11 8.202 9.219 -1.439 583 HA ASP 11 HA ASP 11 8.035 11.255 -3.147 584 HB2 ASP 11 HB2 ASP 11 6.130 12.586 -2.738 585 HB3 ASP 11 HB1 ASP 11 5.478 10.957 -2.835 586 H ASP 12 HN ASP 12 7.674 13.482 -1.532 587 HA ASP 12 HA ASP 12 9.986 13.189 0.148 588 HB2 ASP 12 HB2 ASP 12 9.678 15.647 0.550 589 HB3 ASP 12 HB1 ASP 12 9.865 15.196 -1.139 590 H LEU 13 HN LEU 13 6.933 12.340 0.694 591 HA LEU 13 HA LEU 13 7.227 12.864 3.577 592 HB2 LEU 13 HB2 LEU 13 5.173 13.788 2.358 593 HB3 LEU 13 HB1 LEU 13 4.655 12.122 2.200 594 HG LEU 13 HG LEU 13 3.632 13.416 4.105 595 HD11 LEU 13 HD11 LEU 13 5.170 10.917 4.780 596 HD12 LEU 13 HD12 LEU 13 3.548 11.003 4.093 597 HD13 LEU 13 HD13 LEU 13 3.843 11.585 5.732 598 HD21 LEU 13 HD21 LEU 13 6.407 13.147 5.239 599 HD22 LEU 13 HD22 LEU 13 4.981 13.696 6.123 600 HD23 LEU 13 HD23 LEU 13 5.609 14.650 4.778 601 H GLY 14 HN GLY 14 5.743 10.474 1.343 602 HA2 GLY 14 HA2 GLY 14 6.959 8.214 1.603 603 HA3 GLY 14 HA1 GLY 14 6.495 8.389 3.300 604 H ARG 15 HN ARG 15 4.182 9.617 1.082 605 HA ARG 15 HA ARG 15 2.378 7.428 1.747 606 HB2 ARG 15 HB2 ARG 15 1.739 9.539 -0.276 607 HB3 ARG 15 HB1 ARG 15 0.647 8.640 0.763 608 HG2 ARG 15 HG2 ARG 15 0.561 10.508 1.953 609 HG3 ARG 15 HG1 ARG 15 2.148 10.021 2.562 610 HD2 ARG 15 HD2 ARG 15 3.278 11.400 1.067 611 HD3 ARG 15 HD1 ARG 15 1.862 11.570 0.017 612 HE ARG 15 HE ARG 15 1.232 12.635 2.544 613 HH11 ARG 15 HH11 ARG 15 3.479 13.359 -0.050 614 HH12 ARG 15 HH12 ARG 15 3.376 15.074 0.189 615 HH21 ARG 15 HH21 ARG 15 1.140 14.877 2.872 616 HH22 ARG 15 HH22 ARG 15 2.058 15.939 1.842 617 H VAL 16 HN VAL 16 1.372 6.116 0.290 618 HA VAL 16 HA VAL 16 2.731 6.020 -2.283 619 HB VAL 16 HB VAL 16 2.246 3.759 -2.516 620 HG11 VAL 16 HG11 VAL 16 4.112 4.127 -1.073 621 HG12 VAL 16 HG12 VAL 16 3.236 2.691 -0.540 622 HG13 VAL 16 HG13 VAL 16 3.049 4.215 0.330 623 HG21 VAL 16 HG21 VAL 16 0.895 2.423 -0.978 624 HG22 VAL 16 HG22 VAL 16 -0.045 3.684 -1.778 625 HG23 VAL 16 HG23 VAL 16 0.474 3.896 -0.103 626 H VAL 17 HN VAL 17 1.721 7.059 -3.715 627 HA VAL 17 HA VAL 17 -0.948 7.914 -3.275 628 HB VAL 17 HB VAL 17 0.718 8.191 -5.781 629 HG11 VAL 17 HG11 VAL 17 -1.736 9.668 -4.835 630 HG12 VAL 17 HG12 VAL 17 -1.625 8.566 -6.213 631 HG13 VAL 17 HG13 VAL 17 -0.766 10.109 -6.243 632 HG21 VAL 17 HG21 VAL 17 1.091 10.539 -4.830 633 HG22 VAL 17 HG22 VAL 17 1.986 9.214 -4.088 634 HG23 VAL 17 HG23 VAL 17 0.559 9.874 -3.279 635 H ILE 18 HN ILE 18 -2.363 6.275 -3.269 636 HA ILE 18 HA ILE 18 -2.271 4.210 -5.281 637 HB ILE 18 HB ILE 18 -4.122 4.648 -2.923 638 HG12 ILE 18 HG12 ILE 18 -1.860 3.936 -2.355 639 HG13 ILE 18 HG11 ILE 18 -3.025 2.656 -2.030 640 HG21 ILE 18 HG21 ILE 18 -5.394 3.593 -4.701 641 HG22 ILE 18 HG22 ILE 18 -5.055 2.429 -3.419 642 HG23 ILE 18 HG23 ILE 18 -4.128 2.383 -4.918 643 HD11 ILE 18 HD11 ILE 18 -0.998 1.772 -3.015 644 HD12 ILE 18 HD12 ILE 18 -1.203 2.823 -4.417 645 HD13 ILE 18 HD13 ILE 18 -2.372 1.542 -4.097 646 HA PRO 19 HA PRO 19 -4.795 6.671 -8.123 647 HB2 PRO 19 HB2 PRO 19 -4.775 3.874 -9.180 648 HB3 PRO 19 HB1 PRO 19 -4.669 5.403 -10.063 649 HG2 PRO 19 HG2 PRO 19 -2.467 4.034 -9.624 650 HG3 PRO 19 HG1 PRO 19 -2.472 5.791 -9.359 651 HD2 PRO 19 HD2 PRO 19 -2.549 3.580 -7.349 652 HD3 PRO 19 HD1 PRO 19 -1.737 5.160 -7.265 653 H LYS 20 HN LYS 20 -6.926 6.905 -8.254 654 HA LYS 20 HA LYS 20 -8.666 5.588 -6.540 655 HB2 LYS 20 HB2 LYS 20 -10.504 6.624 -7.887 656 HB3 LYS 20 HB1 LYS 20 -9.299 7.744 -7.273 657 HG2 LYS 20 HG2 LYS 20 -9.146 6.639 -10.061 658 HG3 LYS 20 HG1 LYS 20 -10.111 8.067 -9.675 659 HD2 LYS 20 HD2 LYS 20 -7.204 7.811 -8.963 660 HD3 LYS 20 HD1 LYS 20 -7.748 8.485 -10.504 661 HE2 LYS 20 HE2 LYS 20 -8.695 9.533 -7.845 662 HE3 LYS 20 HE1 LYS 20 -7.241 10.140 -8.634 663 HZ1 LYS 20 HZ1 LYS 20 -8.476 10.980 -10.417 664 HZ2 LYS 20 HZ2 LYS 20 -9.386 11.400 -9.043 665 HZ3 LYS 20 HZ3 LYS 20 -9.862 10.093 -10.014 666 H GLU 21 HN GLU 21 -7.436 4.513 -9.515 667 HA GLU 21 HA GLU 21 -9.625 3.020 -10.456 668 HB2 GLU 21 HB2 GLU 21 -8.003 1.799 -11.812 669 HB3 GLU 21 HB1 GLU 21 -7.707 3.532 -11.867 670 HG2 GLU 21 HG2 GLU 21 -5.920 3.247 -10.201 671 HG3 GLU 21 HG1 GLU 21 -6.192 1.506 -10.245 672 H ILE 22 HN ILE 22 -7.506 2.453 -7.772 673 HA ILE 22 HA ILE 22 -8.006 -0.428 -7.853 674 HB ILE 22 HB ILE 22 -6.346 1.157 -5.873 675 HG12 ILE 22 HG12 ILE 22 -4.558 -0.414 -7.080 676 HG13 ILE 22 HG11 ILE 22 -5.714 -0.267 -8.401 677 HG21 ILE 22 HG21 ILE 22 -6.665 -1.829 -6.203 678 HG22 ILE 22 HG22 ILE 22 -7.309 -0.856 -4.879 679 HG23 ILE 22 HG23 ILE 22 -5.566 -1.025 -5.080 680 HD11 ILE 22 HD11 ILE 22 -4.244 1.947 -7.015 681 HD12 ILE 22 HD12 ILE 22 -5.560 2.199 -8.163 682 HD13 ILE 22 HD13 ILE 22 -4.068 1.410 -8.687 683 H ARG 23 HN ARG 23 -8.507 2.454 -5.890 684 HA ARG 23 HA ARG 23 -10.235 1.332 -3.970 685 HB2 ARG 23 HB2 ARG 23 -9.562 3.349 -3.213 686 HB3 ARG 23 HB1 ARG 23 -9.366 4.000 -4.832 687 HG2 ARG 23 HG2 ARG 23 -12.142 3.592 -4.163 688 HG3 ARG 23 HG1 ARG 23 -11.326 4.652 -3.019 689 HD2 ARG 23 HD2 ARG 23 -11.086 4.990 -5.986 690 HD3 ARG 23 HD1 ARG 23 -12.368 5.739 -5.045 691 HE ARG 23 HE ARG 23 -9.544 6.245 -4.401 692 HH11 ARG 23 HH11 ARG 23 -12.728 7.405 -5.305 693 HH12 ARG 23 HH12 ARG 23 -12.309 9.082 -5.090 694 HH21 ARG 23 HH21 ARG 23 -8.993 8.473 -4.159 695 HH22 ARG 23 HH22 ARG 23 -10.210 9.682 -4.442 696 H ARG 24 HN ARG 24 -10.703 2.503 -7.211 697 HA ARG 24 HA ARG 24 -13.488 2.444 -7.257 698 HB2 ARG 24 HB2 ARG 24 -12.504 3.467 -9.117 699 HB3 ARG 24 HB1 ARG 24 -11.412 2.118 -9.399 700 HG2 ARG 24 HG2 ARG 24 -13.142 0.770 -10.273 701 HG3 ARG 24 HG1 ARG 24 -14.388 1.885 -9.709 702 HD2 ARG 24 HD2 ARG 24 -12.295 2.689 -11.710 703 HD3 ARG 24 HD1 ARG 24 -13.827 1.952 -12.189 704 HE ARG 24 HE ARG 24 -14.500 4.046 -10.538 705 HH11 ARG 24 HH11 ARG 24 -12.845 3.634 -13.602 706 HH12 ARG 24 HH12 ARG 24 -13.214 5.241 -14.158 707 HH21 ARG 24 HH21 ARG 24 -15.005 6.144 -11.281 708 HH22 ARG 24 HH22 ARG 24 -14.433 6.670 -12.834 709 H THR 25 HN THR 25 -11.132 -0.185 -8.217 710 HA THR 25 HA THR 25 -13.115 -2.119 -8.534 711 HB THR 25 HB THR 25 -10.271 -2.526 -7.577 712 HG1 THR 25 HG1 THR 25 -9.654 -2.126 -9.584 713 HG21 THR 25 HG21 THR 25 -12.124 -4.355 -9.114 714 HG22 THR 25 HG22 THR 25 -11.691 -4.531 -7.413 715 HG23 THR 25 HG23 THR 25 -10.457 -4.711 -8.662 716 H LEU 26 HN LEU 26 -11.717 -0.693 -5.730 717 HA LEU 26 HA LEU 26 -12.589 -2.617 -3.809 718 HB2 LEU 26 HB2 LEU 26 -11.372 0.058 -3.819 719 HB3 LEU 26 HB1 LEU 26 -12.455 -0.227 -2.464 720 HG LEU 26 HG LEU 26 -10.246 -0.767 -1.740 721 HD11 LEU 26 HD11 LEU 26 -11.739 -3.304 -2.360 722 HD12 LEU 26 HD12 LEU 26 -12.000 -2.257 -0.965 723 HD13 LEU 26 HD13 LEU 26 -10.471 -3.119 -1.150 724 HD21 LEU 26 HD21 LEU 26 -10.048 -2.643 -4.096 725 HD22 LEU 26 HD22 LEU 26 -8.828 -2.396 -2.846 726 HD23 LEU 26 HD23 LEU 26 -9.228 -1.087 -3.959 727 H ARG 27 HN ARG 27 -14.156 -0.200 -5.650 728 HA ARG 27 HA ARG 27 -16.229 0.703 -5.711 729 HB2 ARG 27 HB2 ARG 27 -16.662 -1.660 -3.969 730 HB3 ARG 27 HB1 ARG 27 -17.927 -0.445 -4.024 731 HG2 ARG 27 HG2 ARG 27 -18.477 -2.126 -5.602 732 HG3 ARG 27 HG1 ARG 27 -17.958 -0.706 -6.508 733 HD2 ARG 27 HD2 ARG 27 -17.038 -2.769 -7.445 734 HD3 ARG 27 HD1 ARG 27 -15.767 -1.704 -6.848 735 HE ARG 27 HE ARG 27 -15.704 -3.170 -4.845 736 HH11 ARG 27 HH11 ARG 27 -17.033 -4.417 -7.827 737 HH12 ARG 27 HH12 ARG 27 -16.582 -6.056 -7.493 738 HH21 ARG 27 HH21 ARG 27 -15.089 -5.338 -4.407 739 HH22 ARG 27 HH22 ARG 27 -15.490 -6.583 -5.556 740 H ILE 28 HN ILE 28 -14.176 1.656 -3.887 741 HA ILE 28 HA ILE 28 -15.878 2.910 -1.827 742 HB ILE 28 HB ILE 28 -12.925 2.454 -1.434 743 HG12 ILE 28 HG12 ILE 28 -15.205 0.581 -0.711 744 HG13 ILE 28 HG11 ILE 28 -13.971 0.267 -1.923 745 HG21 ILE 28 HG21 ILE 28 -14.095 4.025 0.069 746 HG22 ILE 28 HG22 ILE 28 -13.571 2.587 0.942 747 HG23 ILE 28 HG23 ILE 28 -15.263 2.767 0.479 748 HD11 ILE 28 HD11 ILE 28 -13.549 -0.948 0.133 749 HD12 ILE 28 HD12 ILE 28 -13.500 0.570 1.032 750 HD13 ILE 28 HD13 ILE 28 -12.273 0.224 -0.189 751 H ARG 29 HN ARG 29 -13.792 4.721 -0.958 752 HA ARG 29 HA ARG 29 -13.275 6.466 -3.179 753 HB2 ARG 29 HB2 ARG 29 -14.912 8.118 -2.809 754 HB3 ARG 29 HB1 ARG 29 -15.800 6.609 -2.699 755 HG2 ARG 29 HG2 ARG 29 -14.982 8.455 -0.476 756 HG3 ARG 29 HG1 ARG 29 -16.606 7.984 -0.966 757 HD2 ARG 29 HD2 ARG 29 -16.216 5.723 -0.164 758 HD3 ARG 29 HD1 ARG 29 -14.543 6.141 0.241 759 HE ARG 29 HE ARG 29 -16.009 7.948 1.649 760 HH11 ARG 29 HH11 ARG 29 -16.103 4.444 1.441 761 HH12 ARG 29 HH12 ARG 29 -16.586 4.230 3.094 762 HH21 ARG 29 HH21 ARG 29 -16.638 7.668 3.811 763 HH22 ARG 29 HH22 ARG 29 -16.869 6.069 4.452 764 H GLU 30 HN GLU 30 -13.340 8.922 -1.702 765 HA GLU 30 HA GLU 30 -10.857 8.795 -0.332 766 HB2 GLU 30 HB2 GLU 30 -12.935 10.953 -0.592 767 HB3 GLU 30 HB1 GLU 30 -11.440 11.185 0.305 768 HG2 GLU 30 HG2 GLU 30 -10.912 12.037 -1.747 769 HG3 GLU 30 HG1 GLU 30 -10.300 10.385 -1.852 770 H GLY 31 HN GLY 31 -12.968 7.156 0.851 771 HA2 GLY 31 HA2 GLY 31 -12.344 7.935 3.588 772 HA3 GLY 31 HA1 GLY 31 -14.045 7.643 3.200 773 H ASP 32 HN ASP 32 -11.581 5.951 1.542 774 HA ASP 32 HA ASP 32 -12.413 3.401 2.602 775 HB2 ASP 32 HB2 ASP 32 -11.933 3.426 0.279 776 HB3 ASP 32 HB1 ASP 32 -10.392 4.246 0.524 777 HA PRO 33 HA PRO 33 -9.060 3.437 5.509 778 HB2 PRO 33 HB2 PRO 33 -10.046 1.152 6.773 779 HB3 PRO 33 HB1 PRO 33 -10.326 2.821 7.267 780 HG2 PRO 33 HG2 PRO 33 -12.241 1.002 6.238 781 HG3 PRO 33 HG1 PRO 33 -12.469 2.722 6.579 782 HD2 PRO 33 HD2 PRO 33 -12.003 1.364 3.986 783 HD3 PRO 33 HD1 PRO 33 -12.778 2.926 4.329 784 H LEU 34 HN LEU 34 -7.190 2.249 5.534 785 HA LEU 34 HA LEU 34 -7.317 -0.445 4.417 786 HB2 LEU 34 HB2 LEU 34 -5.007 1.387 3.811 787 HB3 LEU 34 HB1 LEU 34 -5.404 -0.151 3.066 788 HG LEU 34 HG LEU 34 -7.598 1.504 2.560 789 HD11 LEU 34 HD11 LEU 34 -6.246 3.429 3.192 790 HD12 LEU 34 HD12 LEU 34 -6.617 3.441 1.468 791 HD13 LEU 34 HD13 LEU 34 -5.015 2.954 2.022 792 HD21 LEU 34 HD21 LEU 34 -6.723 -0.237 1.089 793 HD22 LEU 34 HD22 LEU 34 -5.282 0.734 0.784 794 HD23 LEU 34 HD23 LEU 34 -6.858 1.299 0.233 795 H GLU 35 HN GLU 35 -5.728 -1.772 5.129 796 HA GLU 35 HA GLU 35 -4.595 -0.953 7.720 797 HB2 GLU 35 HB2 GLU 35 -6.118 -2.898 7.889 798 HB3 GLU 35 HB1 GLU 35 -5.102 -3.763 6.746 799 HG2 GLU 35 HG2 GLU 35 -3.243 -3.694 8.297 800 HG3 GLU 35 HG1 GLU 35 -4.222 -2.779 9.448 801 H ILE 36 HN ILE 36 -2.555 -0.364 7.514 802 HA ILE 36 HA ILE 36 -0.970 -1.329 5.296 803 HB ILE 36 HB ILE 36 -0.511 0.727 7.473 804 HG12 ILE 36 HG12 ILE 36 -0.182 2.207 5.397 805 HG13 ILE 36 HG11 ILE 36 -0.888 0.880 4.488 806 HG21 ILE 36 HG21 ILE 36 1.658 1.226 6.491 807 HG22 ILE 36 HG22 ILE 36 1.464 -0.114 5.361 808 HG23 ILE 36 HG23 ILE 36 1.594 -0.431 7.090 809 HD11 ILE 36 HD11 ILE 36 -2.885 1.077 6.019 810 HD12 ILE 36 HD12 ILE 36 -2.623 2.400 4.887 811 HD13 ILE 36 HD13 ILE 36 -2.182 2.597 6.584 812 H PHE 37 HN PHE 37 -0.160 -3.290 5.582 813 HA PHE 37 HA PHE 37 1.623 -3.683 7.818 814 HB2 PHE 37 HB2 PHE 37 0.635 -5.552 8.783 815 HB3 PHE 37 HB1 PHE 37 -0.736 -4.518 8.452 816 HD1 PHE 37 HD2 PHE 37 -2.382 -5.107 6.785 817 HD2 PHE 37 HD1 PHE 37 0.963 -7.626 7.552 818 HE1 PHE 37 HE2 PHE 37 -3.488 -6.944 5.582 819 HE2 PHE 37 HE1 PHE 37 -0.141 -9.467 6.351 820 HZ PHE 37 HZ PHE 37 -2.370 -9.126 5.364 821 H VAL 38 HN VAL 38 3.409 -4.658 7.165 822 HA VAL 38 HA VAL 38 3.560 -5.420 4.388 823 HB VAL 38 HB VAL 38 5.419 -4.163 5.104 824 HG11 VAL 38 HG11 VAL 38 5.728 -6.043 7.442 825 HG12 VAL 38 HG12 VAL 38 5.132 -4.382 7.506 826 HG13 VAL 38 HG13 VAL 38 6.806 -4.701 7.052 827 HG21 VAL 38 HG21 VAL 38 7.365 -5.637 4.864 828 HG22 VAL 38 HG22 VAL 38 6.101 -6.039 3.698 829 HG23 VAL 38 HG23 VAL 38 6.333 -7.043 5.130 830 H ASP 39 HN ASP 39 4.156 -7.385 3.575 831 HA ASP 39 HA ASP 39 3.066 -9.616 5.053 832 HB2 ASP 39 HB2 ASP 39 2.626 -9.158 2.601 833 HB3 ASP 39 HB1 ASP 39 4.303 -9.630 2.300 834 H ARG 40 HN ARG 40 6.206 -8.788 3.586 835 HA ARG 40 HA ARG 40 7.441 -10.668 5.406 836 HB2 ARG 40 HB2 ARG 40 8.834 -11.579 3.454 837 HB3 ARG 40 HB1 ARG 40 7.197 -12.180 3.683 838 HG2 ARG 40 HG2 ARG 40 6.872 -10.013 2.006 839 HG3 ARG 40 HG1 ARG 40 8.369 -10.773 1.446 840 HD2 ARG 40 HD2 ARG 40 7.164 -12.958 1.442 841 HD3 ARG 40 HD1 ARG 40 5.682 -12.072 1.795 842 HE ARG 40 HE ARG 40 7.254 -11.475 -0.627 843 HH11 ARG 40 HH11 ARG 40 4.243 -12.341 0.923 844 HH12 ARG 40 HH12 ARG 40 3.355 -12.456 -0.577 845 HH21 ARG 40 HH21 ARG 40 6.107 -11.566 -2.585 846 HH22 ARG 40 HH22 ARG 40 4.420 -11.978 -2.576 847 H ASP 41 HN ASP 41 8.688 -9.009 2.491 848 HA ASP 41 HA ASP 41 10.978 -8.217 4.127 849 HB2 ASP 41 HB2 ASP 41 11.525 -9.497 2.160 850 HB3 ASP 41 HB1 ASP 41 10.593 -8.397 1.143 851 H GLY 42 HN GLY 42 9.232 -6.826 1.380 852 HA2 GLY 42 HA2 GLY 42 9.143 -4.252 2.790 853 HA3 GLY 42 HA1 GLY 42 10.002 -4.313 1.259 854 H GLU 43 HN GLU 43 7.394 -6.449 1.501 855 HA GLU 43 HA GLU 43 5.829 -4.793 -0.298 856 HB2 GLU 43 HB2 GLU 43 4.339 -7.035 -0.045 857 HB3 GLU 43 HB1 GLU 43 5.622 -6.837 -1.230 858 HG2 GLU 43 HG2 GLU 43 6.205 -7.990 1.464 859 HG3 GLU 43 HG1 GLU 43 5.527 -8.990 0.178 860 H VAL 44 HN VAL 44 4.580 -3.354 0.681 861 HA VAL 44 HA VAL 44 3.436 -3.978 3.296 862 HB VAL 44 HB VAL 44 2.754 -1.476 1.823 863 HG11 VAL 44 HG11 VAL 44 1.684 -1.873 3.931 864 HG12 VAL 44 HG12 VAL 44 2.843 -0.559 4.128 865 HG13 VAL 44 HG13 VAL 44 3.233 -2.176 4.716 866 HG21 VAL 44 HG21 VAL 44 5.394 -1.969 3.210 867 HG22 VAL 44 HG22 VAL 44 4.796 -0.387 2.712 868 HG23 VAL 44 HG23 VAL 44 5.155 -1.615 1.497 869 H ILE 45 HN ILE 45 1.362 -4.468 3.619 870 HA ILE 45 HA ILE 45 -0.327 -4.702 1.217 871 HB ILE 45 HB ILE 45 -0.266 -6.300 3.770 872 HG12 ILE 45 HG12 ILE 45 -0.102 -8.212 2.202 873 HG13 ILE 45 HG11 ILE 45 -0.142 -7.091 0.848 874 HG21 ILE 45 HG21 ILE 45 -2.583 -5.801 3.410 875 HG22 ILE 45 HG22 ILE 45 -2.296 -7.478 2.942 876 HG23 ILE 45 HG23 ILE 45 -2.467 -6.235 1.703 877 HD11 ILE 45 HD11 ILE 45 2.008 -7.181 2.940 878 HD12 ILE 45 HD12 ILE 45 1.976 -6.181 1.484 879 HD13 ILE 45 HD13 ILE 45 2.097 -7.935 1.348 880 H LEU 46 HN LEU 46 -1.870 -3.226 1.150 881 HA LEU 46 HA LEU 46 -2.901 -2.011 3.633 882 HB2 LEU 46 HB2 LEU 46 -3.534 -0.913 0.935 883 HB3 LEU 46 HB1 LEU 46 -3.223 -0.065 2.440 884 HG LEU 46 HG LEU 46 -1.036 -1.504 0.992 885 HD11 LEU 46 HD11 LEU 46 -0.465 0.623 -0.085 886 HD12 LEU 46 HD12 LEU 46 -1.932 1.350 0.570 887 HD13 LEU 46 HD13 LEU 46 -2.045 0.041 -0.607 888 HD21 LEU 46 HD21 LEU 46 -1.039 0.842 2.888 889 HD22 LEU 46 HD22 LEU 46 0.382 0.065 2.186 890 HD23 LEU 46 HD23 LEU 46 -0.646 -0.824 3.311 891 H LYS 47 HN LYS 47 -4.839 -2.867 4.252 892 HA LYS 47 HA LYS 47 -6.656 -3.599 2.056 893 HB2 LYS 47 HB2 LYS 47 -6.419 -5.717 2.589 894 HB3 LYS 47 HB1 LYS 47 -5.472 -5.315 4.006 895 HG2 LYS 47 HG2 LYS 47 -8.418 -5.065 4.195 896 HG3 LYS 47 HG1 LYS 47 -7.715 -6.684 4.148 897 HD2 LYS 47 HD2 LYS 47 -7.191 -4.485 6.140 898 HD3 LYS 47 HD1 LYS 47 -7.896 -6.087 6.433 899 HE2 LYS 47 HE2 LYS 47 -5.510 -6.765 5.342 900 HE3 LYS 47 HE1 LYS 47 -5.079 -5.256 6.157 901 HZ1 LYS 47 HZ1 LYS 47 -6.149 -6.241 8.196 902 HZ2 LYS 47 HZ2 LYS 47 -4.716 -6.981 7.698 903 HZ3 LYS 47 HZ3 LYS 47 -6.197 -7.730 7.377 904 H LYS 48 HN LYS 48 -8.795 -3.435 2.313 905 HA LYS 48 HA LYS 48 -9.635 -0.988 2.966 906 HB2 LYS 48 HB2 LYS 48 -11.974 -2.078 2.942 907 HB3 LYS 48 HB1 LYS 48 -10.947 -2.091 1.513 908 HG2 LYS 48 HG2 LYS 48 -10.137 -4.363 2.690 909 HG3 LYS 48 HG1 LYS 48 -11.809 -4.301 3.256 910 HD2 LYS 48 HD2 LYS 48 -10.980 -3.999 0.381 911 HD3 LYS 48 HD1 LYS 48 -11.476 -5.537 1.101 912 HE2 LYS 48 HE2 LYS 48 -13.629 -4.394 1.744 913 HE3 LYS 48 HE1 LYS 48 -13.113 -3.036 0.743 914 HZ1 LYS 48 HZ1 LYS 48 -13.205 -5.774 -0.364 915 HZ2 LYS 48 HZ2 LYS 48 -13.262 -4.292 -1.182 916 HZ3 LYS 48 HZ3 LYS 48 -14.607 -4.819 -0.301 917 H TYR 49 HN TYR 49 -9.371 -3.377 5.428 918 HA TYR 49 HA TYR 49 -9.533 -3.127 7.685 919 HB2 TYR 49 HB2 TYR 49 -8.827 -0.826 7.455 920 HB3 TYR 49 HB1 TYR 49 -10.478 -0.356 7.076 921 HD1 TYR 49 HD2 TYR 49 -9.135 -2.604 9.728 922 HD2 TYR 49 HD1 TYR 49 -11.248 0.978 8.829 923 HE1 TYR 49 HE2 TYR 49 -9.595 -2.285 12.118 924 HE2 TYR 49 HE1 TYR 49 -11.716 1.303 11.222 925 HH TYR 49 HH TYR 49 -10.104 -0.372 13.653 926 H SER 50 HN SER 50 -12.314 -1.485 6.168 927 HA SER 50 HA SER 50 -14.143 -1.778 8.208 928 HB2 SER 50 HB2 SER 50 -14.495 -0.355 6.226 929 HB3 SER 50 HB1 SER 50 -14.710 -1.793 5.233 930 HG SER 50 HG SER 50 -16.377 -1.945 7.323 931 HA PRO 51 HA PRO 51 -15.304 -6.162 6.853 932 HB2 PRO 51 HB2 PRO 51 -14.578 -7.215 4.554 933 HB3 PRO 51 HB1 PRO 51 -15.876 -6.013 4.589 934 HG2 PRO 51 HG2 PRO 51 -12.991 -5.665 3.848 935 HG3 PRO 51 HG1 PRO 51 -14.435 -5.022 3.040 936 HD2 PRO 51 HD2 PRO 51 -12.862 -3.615 4.823 937 HD3 PRO 51 HD1 PRO 51 -14.556 -3.238 4.455 938 H ILE 52 HN ILE 52 -12.465 -4.921 7.300 939 HA ILE 52 HA ILE 52 -10.312 -5.531 7.657 940 HB ILE 52 HB ILE 52 -11.217 -8.345 8.177 941 HG12 ILE 52 HG12 ILE 52 -11.772 -5.928 9.900 942 HG13 ILE 52 HG11 ILE 52 -12.985 -6.886 9.051 943 HG21 ILE 52 HG21 ILE 52 -9.603 -8.187 9.992 944 HG22 ILE 52 HG22 ILE 52 -9.387 -6.464 9.686 945 HG23 ILE 52 HG23 ILE 52 -8.834 -7.642 8.501 946 HD11 ILE 52 HD11 ILE 52 -12.447 -8.811 10.439 947 HD12 ILE 52 HD12 ILE 52 -12.909 -7.423 11.426 948 HD13 ILE 52 HD13 ILE 52 -11.210 -7.874 11.277 949 H SER 53 HN SER 53 -9.751 -8.596 7.076 950 HA SER 53 HA SER 53 -8.922 -8.060 4.371 951 HB2 SER 53 HB2 SER 53 -7.913 -10.428 4.657 952 HB3 SER 53 HB1 SER 53 -7.245 -9.104 5.615 953 HG SER 53 HG SER 53 -8.304 -11.380 6.485 954 H GLU 54 HN GLU 54 -11.004 -10.333 6.083 955 HA GLU 54 HA GLU 54 -12.717 -10.619 3.773 956 HB2 GLU 54 HB2 GLU 54 -12.447 -13.041 3.558 957 HB3 GLU 54 HB1 GLU 54 -10.920 -12.219 3.260 958 HG2 GLU 54 HG2 GLU 54 -10.233 -12.729 5.575 959 HG3 GLU 54 HG1 GLU 54 -11.729 -13.631 5.792 960 H LEU 55 HN LEU 55 -12.789 -9.895 6.710 961 HA LEU 55 HA LEU 55 -13.781 -10.380 8.691 962 HB2 LEU 55 HB2 LEU 55 -15.895 -11.275 6.741 963 HB3 LEU 55 HB1 LEU 55 -16.168 -11.178 8.470 964 HG LEU 55 HG LEU 55 -15.490 -8.880 6.632 965 HD11 LEU 55 HD11 LEU 55 -17.981 -9.521 8.204 966 HD12 LEU 55 HD12 LEU 55 -17.793 -9.662 6.456 967 HD13 LEU 55 HD13 LEU 55 -17.713 -8.077 7.225 968 HD21 LEU 55 HD21 LEU 55 -14.412 -8.597 8.804 969 HD22 LEU 55 HD22 LEU 55 -15.955 -8.889 9.614 970 HD23 LEU 55 HD23 LEU 55 -15.746 -7.458 8.602 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 6.003 -12.339 11.322 2 H2 MET 1 HT2 MET 1 6.091 -11.658 12.866 3 H3 MET 1 HT3 MET 1 6.838 -13.147 12.561 4 HA MET 1 HA MET 1 8.523 -11.502 12.629 5 HB2 MET 1 HB2 MET 1 7.840 -12.274 9.785 6 HB3 MET 1 HB1 MET 1 9.386 -11.609 10.288 7 HG2 MET 1 HG2 MET 1 9.748 -13.537 11.740 8 HG3 MET 1 HG1 MET 1 8.197 -14.205 11.236 9 HE1 MET 1 HE1 MET 1 11.808 -13.644 8.418 10 HE2 MET 1 HE2 MET 1 11.837 -13.257 10.138 11 HE3 MET 1 HE3 MET 1 10.847 -12.298 9.038 12 H LYS 2 HN LYS 2 5.939 -10.640 10.363 13 HA LYS 2 HA LYS 2 6.632 -7.824 10.816 14 HB2 LYS 2 HB2 LYS 2 5.981 -9.168 8.205 15 HB3 LYS 2 HB1 LYS 2 5.796 -7.431 8.419 16 HG2 LYS 2 HG2 LYS 2 8.391 -8.817 9.010 17 HG3 LYS 2 HG1 LYS 2 7.961 -8.313 7.378 18 HD2 LYS 2 HD2 LYS 2 9.373 -6.656 8.523 19 HD3 LYS 2 HD1 LYS 2 7.794 -6.002 8.097 20 HE2 LYS 2 HE2 LYS 2 7.035 -6.145 10.347 21 HE3 LYS 2 HE1 LYS 2 8.443 -7.098 10.823 22 HZ1 LYS 2 HZ1 LYS 2 8.534 -4.272 9.902 23 HZ2 LYS 2 HZ2 LYS 2 9.856 -5.197 10.444 24 HZ3 LYS 2 HZ3 LYS 2 8.614 -4.774 11.520 25 H ALA 3 HN ALA 3 4.323 -7.417 8.821 26 HA ALA 3 HA ALA 3 2.169 -6.806 8.951 27 HB1 ALA 3 HB1 ALA 3 1.914 -8.946 11.060 28 HB2 ALA 3 HB2 ALA 3 1.668 -9.158 9.325 29 HB3 ALA 3 HB3 ALA 3 0.579 -8.124 10.252 30 H THR 4 HN THR 4 2.123 -4.803 9.604 31 HA THR 4 HA THR 4 2.640 -4.128 12.371 32 HB THR 4 HB THR 4 2.486 -1.767 11.466 33 HG1 THR 4 HG1 THR 4 1.538 -1.854 9.514 34 HG21 THR 4 HG21 THR 4 4.620 -2.982 11.861 35 HG22 THR 4 HG22 THR 4 4.711 -1.829 10.530 36 HG23 THR 4 HG23 THR 4 4.559 -3.554 10.190 37 H GLY 5 HN GLY 5 0.107 -3.492 9.961 38 HA2 GLY 5 HA2 GLY 5 -2.195 -3.554 10.279 39 HA3 GLY 5 HA1 GLY 5 -1.895 -3.919 11.977 40 H ILE 6 HN ILE 6 -0.947 -1.162 9.957 41 HA ILE 6 HA ILE 6 -2.422 0.577 11.817 42 HB ILE 6 HB ILE 6 -0.238 1.397 11.876 43 HG12 ILE 6 HG12 ILE 6 -0.234 3.526 10.593 44 HG13 ILE 6 HG11 ILE 6 -1.604 2.937 9.660 45 HG21 ILE 6 HG21 ILE 6 0.715 0.015 10.124 46 HG22 ILE 6 HG22 ILE 6 1.217 1.697 9.932 47 HG23 ILE 6 HG23 ILE 6 -0.042 1.029 8.893 48 HD11 ILE 6 HD11 ILE 6 -2.935 2.842 11.723 49 HD12 ILE 6 HD12 ILE 6 -2.356 4.466 11.355 50 HD13 ILE 6 HD13 ILE 6 -1.567 3.511 12.614 51 H VAL 7 HN VAL 7 -4.335 1.140 11.081 52 HA VAL 7 HA VAL 7 -4.932 0.917 8.251 53 HB VAL 7 HB VAL 7 -6.645 1.488 10.663 54 HG11 VAL 7 HG11 VAL 7 -8.582 1.625 9.224 55 HG12 VAL 7 HG12 VAL 7 -7.577 1.384 7.795 56 HG13 VAL 7 HG13 VAL 7 -7.422 2.867 8.738 57 HG21 VAL 7 HG21 VAL 7 -5.962 -0.825 10.277 58 HG22 VAL 7 HG22 VAL 7 -6.618 -0.748 8.641 59 HG23 VAL 7 HG23 VAL 7 -7.696 -0.621 10.029 60 H ARG 8 HN ARG 8 -5.310 2.588 6.833 61 HA ARG 8 HA ARG 8 -5.110 5.332 7.815 62 HB2 ARG 8 HB2 ARG 8 -2.996 5.210 6.865 63 HB3 ARG 8 HB1 ARG 8 -3.426 3.851 5.858 64 HG2 ARG 8 HG2 ARG 8 -2.828 5.867 4.559 65 HG3 ARG 8 HG1 ARG 8 -4.451 5.275 4.216 66 HD2 ARG 8 HD2 ARG 8 -4.445 7.679 4.343 67 HD3 ARG 8 HD1 ARG 8 -5.375 7.003 5.679 68 HE ARG 8 HE ARG 8 -2.798 7.433 6.631 69 HH11 ARG 8 HH11 ARG 8 -5.421 9.337 5.292 70 HH12 ARG 8 HH12 ARG 8 -5.061 10.747 6.249 71 HH21 ARG 8 HH21 ARG 8 -2.302 9.299 7.874 72 HH22 ARG 8 HH22 ARG 8 -3.276 10.726 7.697 73 H ARG 9 HN ARG 9 -6.957 6.358 7.159 74 HA ARG 9 HA ARG 9 -8.545 5.286 4.975 75 HB2 ARG 9 HB2 ARG 9 -9.419 6.411 7.141 76 HB3 ARG 9 HB1 ARG 9 -9.019 7.928 6.324 77 HG2 ARG 9 HG2 ARG 9 -11.045 7.844 5.437 78 HG3 ARG 9 HG1 ARG 9 -10.470 6.488 4.458 79 HD2 ARG 9 HD2 ARG 9 -12.567 6.018 5.715 80 HD3 ARG 9 HD1 ARG 9 -11.247 4.902 6.065 81 HE ARG 9 HE ARG 9 -11.302 7.082 7.905 82 HH11 ARG 9 HH11 ARG 9 -12.933 4.085 7.128 83 HH12 ARG 9 HH12 ARG 9 -13.334 3.722 8.782 84 HH21 ARG 9 HH21 ARG 9 -11.808 6.611 10.074 85 HH22 ARG 9 HH22 ARG 9 -12.687 5.154 10.461 86 H ILE 10 HN ILE 10 -7.705 5.595 3.053 87 HA ILE 10 HA ILE 10 -5.822 6.807 1.892 88 HB ILE 10 HB ILE 10 -7.490 7.681 -0.006 89 HG12 ILE 10 HG12 ILE 10 -9.600 6.561 -0.026 90 HG13 ILE 10 HG11 ILE 10 -9.175 5.591 1.381 91 HG21 ILE 10 HG21 ILE 10 -5.929 5.923 -0.311 92 HG22 ILE 10 HG22 ILE 10 -7.509 5.315 -0.808 93 HG23 ILE 10 HG23 ILE 10 -6.833 4.854 0.758 94 HD11 ILE 10 HD11 ILE 10 -10.688 7.155 2.174 95 HD12 ILE 10 HD12 ILE 10 -9.958 8.468 1.257 96 HD13 ILE 10 HD13 ILE 10 -9.114 7.797 2.657 97 H ASP 11 HN ASP 11 -8.220 9.033 0.892 98 HA ASP 11 HA ASP 11 -8.160 11.207 2.436 99 HB2 ASP 11 HB2 ASP 11 -6.344 12.640 1.806 100 HB3 ASP 11 HB1 ASP 11 -5.622 11.110 2.267 101 H ASP 12 HN ASP 12 -7.588 13.241 0.489 102 HA ASP 12 HA ASP 12 -10.008 13.020 -1.028 103 HB2 ASP 12 HB2 ASP 12 -9.201 15.166 -0.093 104 HB3 ASP 12 HB1 ASP 12 -7.824 15.107 -1.189 105 H LEU 13 HN LEU 13 -6.681 12.340 -1.614 106 HA LEU 13 HA LEU 13 -7.130 12.143 -4.498 107 HB2 LEU 13 HB2 LEU 13 -5.101 13.297 -3.559 108 HB3 LEU 13 HB1 LEU 13 -4.557 11.734 -2.993 109 HG LEU 13 HG LEU 13 -3.543 12.590 -5.158 110 HD11 LEU 13 HD11 LEU 13 -4.908 9.906 -5.242 111 HD12 LEU 13 HD12 LEU 13 -3.363 10.253 -4.467 112 HD13 LEU 13 HD13 LEU 13 -3.524 10.400 -6.217 113 HD21 LEU 13 HD21 LEU 13 -6.248 11.821 -6.234 114 HD22 LEU 13 HD22 LEU 13 -4.832 12.247 -7.198 115 HD23 LEU 13 HD23 LEU 13 -5.589 13.455 -6.158 116 H GLY 14 HN GLY 14 -5.633 10.134 -1.924 117 HA2 GLY 14 HA2 GLY 14 -6.843 7.880 -1.830 118 HA3 GLY 14 HA1 GLY 14 -6.405 7.790 -3.526 119 H ARG 15 HN ARG 15 -4.089 9.282 -1.400 120 HA ARG 15 HA ARG 15 -2.263 7.117 -1.990 121 HB2 ARG 15 HB2 ARG 15 -1.574 9.253 -0.016 122 HB3 ARG 15 HB1 ARG 15 -0.520 8.357 -1.096 123 HG2 ARG 15 HG2 ARG 15 -0.501 10.402 -2.079 124 HG3 ARG 15 HG1 ARG 15 -1.858 9.658 -2.937 125 HD2 ARG 15 HD2 ARG 15 -3.429 10.771 -1.677 126 HD3 ARG 15 HD1 ARG 15 -2.271 11.141 -0.389 127 HE ARG 15 HE ARG 15 -1.979 12.392 -3.050 128 HH11 ARG 15 HH11 ARG 15 -2.558 12.645 0.396 129 HH12 ARG 15 HH12 ARG 15 -2.308 14.363 0.438 130 HH21 ARG 15 HH21 ARG 15 -1.649 14.649 -2.996 131 HH22 ARG 15 HH22 ARG 15 -1.786 15.507 -1.488 132 H VAL 16 HN VAL 16 -1.221 5.848 -0.464 133 HA VAL 16 HA VAL 16 -2.641 5.627 2.084 134 HB VAL 16 HB VAL 16 -0.818 3.637 0.724 135 HG11 VAL 16 HG11 VAL 16 -0.672 3.512 3.157 136 HG12 VAL 16 HG12 VAL 16 -1.502 2.102 2.501 137 HG13 VAL 16 HG13 VAL 16 -2.428 3.396 3.263 138 HG21 VAL 16 HG21 VAL 16 -2.954 3.845 -0.409 139 HG22 VAL 16 HG22 VAL 16 -3.809 3.652 1.121 140 HG23 VAL 16 HG23 VAL 16 -2.878 2.310 0.458 141 H VAL 17 HN VAL 17 -1.712 6.968 3.424 142 HA VAL 17 HA VAL 17 0.952 7.859 3.087 143 HB VAL 17 HB VAL 17 -0.931 8.251 5.421 144 HG11 VAL 17 HG11 VAL 17 1.656 9.640 4.737 145 HG12 VAL 17 HG12 VAL 17 1.344 8.609 6.137 146 HG13 VAL 17 HG13 VAL 17 0.524 10.165 5.988 147 HG21 VAL 17 HG21 VAL 17 -1.312 10.467 4.422 148 HG22 VAL 17 HG22 VAL 17 -1.815 9.160 3.351 149 HG23 VAL 17 HG23 VAL 17 -0.300 10.011 3.049 150 H ILE 18 HN ILE 18 2.468 6.332 3.314 151 HA ILE 18 HA ILE 18 2.356 4.512 5.572 152 HB ILE 18 HB ILE 18 3.969 4.577 3.031 153 HG12 ILE 18 HG12 ILE 18 2.120 2.600 4.383 154 HG13 ILE 18 HG11 ILE 18 1.828 3.504 2.902 155 HG21 ILE 18 HG21 ILE 18 4.552 2.834 5.431 156 HG22 ILE 18 HG22 ILE 18 5.594 4.098 4.778 157 HG23 ILE 18 HG23 ILE 18 5.264 2.650 3.827 158 HD11 ILE 18 HD11 ILE 18 3.614 2.245 1.800 159 HD12 ILE 18 HD12 ILE 18 2.331 1.198 2.407 160 HD13 ILE 18 HD13 ILE 18 3.858 1.320 3.282 161 HA PRO 19 HA PRO 19 4.896 7.211 8.117 162 HB2 PRO 19 HB2 PRO 19 5.102 4.470 9.301 163 HB3 PRO 19 HB1 PRO 19 4.959 6.033 10.119 164 HG2 PRO 19 HG2 PRO 19 2.814 4.530 9.866 165 HG3 PRO 19 HG1 PRO 19 2.704 6.269 9.510 166 HD2 PRO 19 HD2 PRO 19 2.821 3.952 7.623 167 HD3 PRO 19 HD1 PRO 19 1.904 5.471 7.492 168 H LYS 20 HN LYS 20 7.046 7.524 8.284 169 HA LYS 20 HA LYS 20 8.774 6.332 6.446 170 HB2 LYS 20 HB2 LYS 20 10.594 7.468 7.667 171 HB3 LYS 20 HB1 LYS 20 9.252 8.536 7.273 172 HG2 LYS 20 HG2 LYS 20 9.335 7.191 9.933 173 HG3 LYS 20 HG1 LYS 20 10.330 8.621 9.641 174 HD2 LYS 20 HD2 LYS 20 7.447 8.661 8.902 175 HD3 LYS 20 HD1 LYS 20 7.900 8.847 10.600 176 HE2 LYS 20 HE2 LYS 20 8.872 10.553 8.307 177 HE3 LYS 20 HE1 LYS 20 7.666 11.023 9.506 178 HZ1 LYS 20 HZ1 LYS 20 10.548 10.474 9.970 179 HZ2 LYS 20 HZ2 LYS 20 9.422 10.660 11.224 180 HZ3 LYS 20 HZ3 LYS 20 9.737 11.951 10.168 181 H GLU 21 HN GLU 21 7.737 5.202 9.504 182 HA GLU 21 HA GLU 21 10.066 3.835 10.314 183 HB2 GLU 21 HB2 GLU 21 8.600 2.591 11.823 184 HB3 GLU 21 HB1 GLU 21 8.263 4.315 11.866 185 HG2 GLU 21 HG2 GLU 21 6.386 3.858 10.247 186 HG3 GLU 21 HG1 GLU 21 6.648 2.145 10.575 187 H ILE 22 HN ILE 22 7.903 3.157 7.752 188 HA ILE 22 HA ILE 22 8.443 0.290 7.849 189 HB ILE 22 HB ILE 22 6.748 1.874 5.899 190 HG12 ILE 22 HG12 ILE 22 5.053 0.179 7.158 191 HG13 ILE 22 HG11 ILE 22 6.227 0.462 8.438 192 HG21 ILE 22 HG21 ILE 22 7.091 -1.114 6.176 193 HG22 ILE 22 HG22 ILE 22 7.763 -0.123 4.881 194 HG23 ILE 22 HG23 ILE 22 6.014 -0.287 5.048 195 HD11 ILE 22 HD11 ILE 22 4.362 1.978 8.630 196 HD12 ILE 22 HD12 ILE 22 4.665 2.578 6.999 197 HD13 ILE 22 HD13 ILE 22 5.853 2.853 8.275 198 H ARG 23 HN ARG 23 8.736 3.068 5.654 199 HA ARG 23 HA ARG 23 10.632 2.075 3.877 200 HB2 ARG 23 HB2 ARG 23 9.873 4.051 3.111 201 HB3 ARG 23 HB1 ARG 23 9.601 4.687 4.720 202 HG2 ARG 23 HG2 ARG 23 12.360 4.524 3.566 203 HG3 ARG 23 HG1 ARG 23 11.282 5.861 3.185 204 HD2 ARG 23 HD2 ARG 23 11.010 5.913 5.809 205 HD3 ARG 23 HD1 ARG 23 12.588 5.138 5.737 206 HE ARG 23 HE ARG 23 12.042 7.754 4.469 207 HH11 ARG 23 HH11 ARG 23 14.078 5.647 6.395 208 HH12 ARG 23 HH12 ARG 23 15.274 6.868 6.698 209 HH21 ARG 23 HH21 ARG 23 13.593 9.348 4.858 210 HH22 ARG 23 HH22 ARG 23 14.992 8.984 5.825 211 H ARG 24 HN ARG 24 11.008 3.393 7.074 212 HA ARG 24 HA ARG 24 13.778 3.461 7.225 213 HB2 ARG 24 HB2 ARG 24 12.783 4.530 8.980 214 HB3 ARG 24 HB1 ARG 24 11.528 3.318 9.158 215 HG2 ARG 24 HG2 ARG 24 13.173 1.814 10.195 216 HG3 ARG 24 HG1 ARG 24 14.382 3.096 10.076 217 HD2 ARG 24 HD2 ARG 24 13.292 4.439 11.623 218 HD3 ARG 24 HD1 ARG 24 11.751 3.608 11.404 219 HE ARG 24 HE ARG 24 13.976 2.125 12.608 220 HH11 ARG 24 HH11 ARG 24 10.948 3.843 13.026 221 HH12 ARG 24 HH12 ARG 24 10.553 3.045 14.520 222 HH21 ARG 24 HH21 ARG 24 13.474 1.090 14.580 223 HH22 ARG 24 HH22 ARG 24 12.003 1.486 15.416 224 H THR 25 HN THR 25 11.536 0.783 8.298 225 HA THR 25 HA THR 25 13.607 -1.047 8.760 226 HB THR 25 HB THR 25 10.752 -1.639 7.943 227 HG1 THR 25 HG1 THR 25 10.472 -0.384 9.703 228 HG21 THR 25 HG21 THR 25 12.227 -3.598 7.995 229 HG22 THR 25 HG22 THR 25 11.050 -3.657 9.307 230 HG23 THR 25 HG23 THR 25 12.717 -3.191 9.642 231 H LEU 26 HN LEU 26 12.018 0.030 5.883 232 HA LEU 26 HA LEU 26 12.753 -2.035 4.114 233 HB2 LEU 26 HB2 LEU 26 11.763 0.717 3.955 234 HB3 LEU 26 HB1 LEU 26 12.816 0.290 2.616 235 HG LEU 26 HG LEU 26 10.478 -0.062 2.038 236 HD11 LEU 26 HD11 LEU 26 11.983 -2.645 2.370 237 HD12 LEU 26 HD12 LEU 26 12.171 -1.496 1.046 238 HD13 LEU 26 HD13 LEU 26 10.646 -2.354 1.259 239 HD21 LEU 26 HD21 LEU 26 10.458 -2.043 4.315 240 HD22 LEU 26 HD22 LEU 26 9.166 -1.817 3.135 241 HD23 LEU 26 HD23 LEU 26 9.575 -0.517 4.254 242 H ARG 27 HN ARG 27 14.588 0.308 5.756 243 HA ARG 27 HA ARG 27 16.756 0.965 5.741 244 HB2 ARG 27 HB2 ARG 27 16.888 -1.403 3.957 245 HB3 ARG 27 HB1 ARG 27 18.227 -0.270 3.881 246 HG2 ARG 27 HG2 ARG 27 18.810 -1.987 5.418 247 HG3 ARG 27 HG1 ARG 27 18.487 -0.527 6.350 248 HD2 ARG 27 HD2 ARG 27 17.500 -2.431 7.451 249 HD3 ARG 27 HD1 ARG 27 16.226 -1.376 6.841 250 HE ARG 27 HE ARG 27 16.360 -3.094 4.852 251 HH11 ARG 27 HH11 ARG 27 16.573 -3.770 8.274 252 HH12 ARG 27 HH12 ARG 27 15.761 -5.299 8.166 253 HH21 ARG 27 HH21 ARG 27 15.283 -5.105 4.686 254 HH22 ARG 27 HH22 ARG 27 15.011 -6.060 6.116 255 H ILE 28 HN ILE 28 14.615 1.995 3.963 256 HA ILE 28 HA ILE 28 16.281 3.234 1.873 257 HB ILE 28 HB ILE 28 13.333 2.762 1.504 258 HG12 ILE 28 HG12 ILE 28 15.600 0.809 0.977 259 HG13 ILE 28 HG11 ILE 28 14.278 0.587 2.115 260 HG21 ILE 28 HG21 ILE 28 14.585 4.204 -0.107 261 HG22 ILE 28 HG22 ILE 28 13.969 2.743 -0.870 262 HG23 ILE 28 HG23 ILE 28 15.672 2.860 -0.436 263 HD11 ILE 28 HD11 ILE 28 13.998 0.743 -0.873 264 HD12 ILE 28 HD12 ILE 28 12.705 0.445 0.290 265 HD13 ILE 28 HD13 ILE 28 14.000 -0.734 0.090 266 H ARG 29 HN ARG 29 14.123 5.000 1.035 267 HA ARG 29 HA ARG 29 13.782 6.781 3.259 268 HB2 ARG 29 HB2 ARG 29 15.338 8.447 2.693 269 HB3 ARG 29 HB1 ARG 29 16.234 6.949 2.516 270 HG2 ARG 29 HG2 ARG 29 15.081 8.646 0.310 271 HG3 ARG 29 HG1 ARG 29 16.783 8.398 0.695 272 HD2 ARG 29 HD2 ARG 29 14.862 6.274 -0.226 273 HD3 ARG 29 HD1 ARG 29 16.044 7.095 -1.254 274 HE ARG 29 HE ARG 29 17.123 5.758 1.098 275 HH11 ARG 29 HH11 ARG 29 16.563 5.648 -2.368 276 HH12 ARG 29 HH12 ARG 29 17.625 4.284 -2.610 277 HH21 ARG 29 HH21 ARG 29 18.522 3.994 0.762 278 HH22 ARG 29 HH22 ARG 29 18.736 3.358 -0.841 279 H GLU 30 HN GLU 30 13.638 9.191 1.810 280 HA GLU 30 HA GLU 30 11.025 8.945 0.660 281 HB2 GLU 30 HB2 GLU 30 12.946 11.230 1.043 282 HB3 GLU 30 HB1 GLU 30 11.435 11.431 0.160 283 HG2 GLU 30 HG2 GLU 30 10.892 12.064 2.313 284 HG3 GLU 30 HG1 GLU 30 10.324 10.398 2.181 285 H GLY 31 HN GLY 31 12.973 7.469 -0.672 286 HA2 GLY 31 HA2 GLY 31 12.311 8.294 -3.367 287 HA3 GLY 31 HA1 GLY 31 14.039 8.132 -3.022 288 H ASP 32 HN ASP 32 11.790 6.222 -1.312 289 HA ASP 32 HA ASP 32 12.740 3.754 -2.471 290 HB2 ASP 32 HB2 ASP 32 12.359 3.822 -0.079 291 HB3 ASP 32 HB1 ASP 32 10.706 4.373 -0.320 292 HA PRO 33 HA PRO 33 9.213 3.620 -5.194 293 HB2 PRO 33 HB2 PRO 33 10.202 1.310 -6.439 294 HB3 PRO 33 HB1 PRO 33 10.359 2.966 -7.021 295 HG2 PRO 33 HG2 PRO 33 12.449 1.315 -6.111 296 HG3 PRO 33 HG1 PRO 33 12.535 3.054 -6.425 297 HD2 PRO 33 HD2 PRO 33 12.269 1.610 -3.840 298 HD3 PRO 33 HD1 PRO 33 12.999 3.194 -4.190 299 H LEU 34 HN LEU 34 7.401 2.292 -5.255 300 HA LEU 34 HA LEU 34 7.672 -0.352 -4.098 301 HB2 LEU 34 HB2 LEU 34 5.242 1.268 -3.419 302 HB3 LEU 34 HB1 LEU 34 5.872 -0.169 -2.622 303 HG LEU 34 HG LEU 34 7.870 1.696 -2.254 304 HD11 LEU 34 HD11 LEU 34 6.460 3.490 -3.063 305 HD12 LEU 34 HD12 LEU 34 6.754 3.667 -1.334 306 HD13 LEU 34 HD13 LEU 34 5.204 3.050 -1.906 307 HD21 LEU 34 HD21 LEU 34 5.588 0.948 -0.426 308 HD22 LEU 34 HD22 LEU 34 7.108 1.682 0.084 309 HD23 LEU 34 HD23 LEU 34 7.103 0.065 -0.620 310 H GLU 35 HN GLU 35 6.012 -1.711 -4.697 311 HA GLU 35 HA GLU 35 4.886 -1.021 -7.331 312 HB2 GLU 35 HB2 GLU 35 6.472 -2.886 -7.547 313 HB3 GLU 35 HB1 GLU 35 5.587 -3.778 -6.314 314 HG2 GLU 35 HG2 GLU 35 3.652 -3.948 -7.716 315 HG3 GLU 35 HG1 GLU 35 4.389 -2.897 -8.926 316 H ILE 36 HN ILE 36 2.847 -0.558 -7.166 317 HA ILE 36 HA ILE 36 1.289 -1.550 -4.935 318 HB ILE 36 HB ILE 36 0.728 0.410 -7.183 319 HG12 ILE 36 HG12 ILE 36 0.398 1.992 -5.228 320 HG13 ILE 36 HG11 ILE 36 1.079 0.732 -4.206 321 HG21 ILE 36 HG21 ILE 36 -1.170 -0.435 -5.010 322 HG22 ILE 36 HG22 ILE 36 -1.320 -0.800 -6.728 323 HG23 ILE 36 HG23 ILE 36 -1.437 0.868 -6.167 324 HD11 ILE 36 HD11 ILE 36 2.711 2.449 -4.832 325 HD12 ILE 36 HD12 ILE 36 2.490 2.021 -6.528 326 HD13 ILE 36 HD13 ILE 36 3.167 0.844 -5.403 327 H PHE 37 HN PHE 37 0.546 -3.538 -5.176 328 HA PHE 37 HA PHE 37 -1.183 -4.036 -7.437 329 HB2 PHE 37 HB2 PHE 37 -0.096 -5.792 -8.410 330 HB3 PHE 37 HB1 PHE 37 1.296 -4.870 -7.861 331 HD1 PHE 37 HD2 PHE 37 2.679 -5.654 -6.035 332 HD2 PHE 37 HD1 PHE 37 -0.688 -7.900 -7.356 333 HE1 PHE 37 HE2 PHE 37 3.498 -7.614 -4.799 334 HE2 PHE 37 HE1 PHE 37 0.130 -9.864 -6.121 335 HZ PHE 37 HZ PHE 37 2.227 -9.722 -4.839 336 H VAL 38 HN VAL 38 -2.976 -4.921 -6.729 337 HA VAL 38 HA VAL 38 -3.115 -5.736 -3.966 338 HB VAL 38 HB VAL 38 -4.964 -4.431 -4.648 339 HG11 VAL 38 HG11 VAL 38 -5.329 -6.287 -6.996 340 HG12 VAL 38 HG12 VAL 38 -4.696 -4.642 -7.061 341 HG13 VAL 38 HG13 VAL 38 -6.372 -4.922 -6.589 342 HG21 VAL 38 HG21 VAL 38 -6.921 -5.900 -4.412 343 HG22 VAL 38 HG22 VAL 38 -5.651 -6.306 -3.257 344 HG23 VAL 38 HG23 VAL 38 -5.890 -7.306 -4.691 345 H ASP 39 HN ASP 39 -3.445 -7.679 -3.164 346 HA ASP 39 HA ASP 39 -2.536 -9.883 -4.749 347 HB2 ASP 39 HB2 ASP 39 -2.041 -9.429 -2.259 348 HB3 ASP 39 HB1 ASP 39 -3.660 -10.077 -1.949 349 H ARG 40 HN ARG 40 -5.598 -8.901 -3.305 350 HA ARG 40 HA ARG 40 -6.853 -11.290 -4.442 351 HB2 ARG 40 HB2 ARG 40 -7.753 -10.350 -1.801 352 HB3 ARG 40 HB1 ARG 40 -7.719 -11.981 -2.472 353 HG2 ARG 40 HG2 ARG 40 -5.387 -12.167 -2.110 354 HG3 ARG 40 HG1 ARG 40 -5.269 -10.442 -1.744 355 HD2 ARG 40 HD2 ARG 40 -5.184 -11.823 0.250 356 HD3 ARG 40 HD1 ARG 40 -6.542 -10.706 0.201 357 HE ARG 40 HE ARG 40 -6.878 -13.554 -0.467 358 HH11 ARG 40 HH11 ARG 40 -7.814 -10.676 1.335 359 HH12 ARG 40 HH12 ARG 40 -9.205 -11.444 2.056 360 HH21 ARG 40 HH21 ARG 40 -8.752 -14.527 0.477 361 HH22 ARG 40 HH22 ARG 40 -9.734 -13.583 1.562 362 H ASP 41 HN ASP 41 -7.934 -8.648 -2.376 363 HA ASP 41 HA ASP 41 -10.010 -8.013 -4.357 364 HB2 ASP 41 HB2 ASP 41 -10.892 -9.414 -2.523 365 HB3 ASP 41 HB1 ASP 41 -10.319 -8.216 -1.364 366 H GLY 42 HN GLY 42 -8.821 -6.927 -1.214 367 HA2 GLY 42 HA2 GLY 42 -8.761 -4.164 -2.269 368 HA3 GLY 42 HA1 GLY 42 -9.579 -4.531 -0.756 369 H GLU 43 HN GLU 43 -7.007 -6.547 -1.058 370 HA GLU 43 HA GLU 43 -5.365 -4.894 0.676 371 HB2 GLU 43 HB2 GLU 43 -3.953 -7.124 0.607 372 HB3 GLU 43 HB1 GLU 43 -5.358 -6.956 1.654 373 HG2 GLU 43 HG2 GLU 43 -5.711 -8.056 -1.091 374 HG3 GLU 43 HG1 GLU 43 -5.036 -9.077 0.185 375 H VAL 44 HN VAL 44 -4.174 -3.528 -0.405 376 HA VAL 44 HA VAL 44 -2.983 -4.249 -2.953 377 HB VAL 44 HB VAL 44 -2.323 -1.708 -1.546 378 HG11 VAL 44 HG11 VAL 44 -1.267 -2.183 -3.650 379 HG12 VAL 44 HG12 VAL 44 -2.406 -0.853 -3.860 380 HG13 VAL 44 HG13 VAL 44 -2.830 -2.473 -4.415 381 HG21 VAL 44 HG21 VAL 44 -4.951 -2.203 -2.959 382 HG22 VAL 44 HG22 VAL 44 -4.371 -0.644 -2.371 383 HG23 VAL 44 HG23 VAL 44 -4.749 -1.935 -1.228 384 H ILE 45 HN ILE 45 -0.906 -4.737 -3.235 385 HA ILE 45 HA ILE 45 0.775 -4.908 -0.819 386 HB ILE 45 HB ILE 45 0.709 -6.609 -3.309 387 HG12 ILE 45 HG12 ILE 45 0.376 -8.457 -1.730 388 HG13 ILE 45 HG11 ILE 45 0.487 -7.345 -0.374 389 HG21 ILE 45 HG21 ILE 45 3.025 -6.155 -2.840 390 HG22 ILE 45 HG22 ILE 45 2.661 -7.812 -2.351 391 HG23 ILE 45 HG23 ILE 45 2.798 -6.545 -1.132 392 HD11 ILE 45 HD11 ILE 45 -1.789 -8.066 -0.851 393 HD12 ILE 45 HD12 ILE 45 -1.670 -7.348 -2.459 394 HD13 ILE 45 HD13 ILE 45 -1.585 -6.323 -1.021 395 H LEU 46 HN LEU 46 2.285 -3.397 -0.845 396 HA LEU 46 HA LEU 46 3.287 -2.325 -3.405 397 HB2 LEU 46 HB2 LEU 46 3.907 -0.947 -0.852 398 HB3 LEU 46 HB1 LEU 46 3.446 -0.273 -2.406 399 HG LEU 46 HG LEU 46 1.461 -1.683 -0.657 400 HD11 LEU 46 HD11 LEU 46 0.826 0.521 0.202 401 HD12 LEU 46 HD12 LEU 46 2.195 1.241 -0.646 402 HD13 LEU 46 HD13 LEU 46 2.473 0.092 0.663 403 HD21 LEU 46 HD21 LEU 46 1.173 0.414 -2.806 404 HD22 LEU 46 HD22 LEU 46 -0.141 -0.364 -1.921 405 HD23 LEU 46 HD23 LEU 46 0.872 -1.313 -3.009 406 H LYS 47 HN LYS 47 5.284 -3.152 -3.947 407 HA LYS 47 HA LYS 47 7.098 -3.584 -1.652 408 HB2 LYS 47 HB2 LYS 47 7.673 -5.651 -2.282 409 HB3 LYS 47 HB1 LYS 47 6.154 -5.607 -3.160 410 HG2 LYS 47 HG2 LYS 47 8.486 -4.572 -4.625 411 HG3 LYS 47 HG1 LYS 47 8.530 -6.292 -4.239 412 HD2 LYS 47 HD2 LYS 47 6.413 -4.809 -5.790 413 HD3 LYS 47 HD1 LYS 47 7.526 -6.041 -6.391 414 HE2 LYS 47 HE2 LYS 47 6.396 -7.488 -4.495 415 HE3 LYS 47 HE1 LYS 47 5.088 -6.327 -4.715 416 HZ1 LYS 47 HZ1 LYS 47 4.695 -8.180 -6.135 417 HZ2 LYS 47 HZ2 LYS 47 6.255 -8.115 -6.776 418 HZ3 LYS 47 HZ3 LYS 47 5.148 -6.879 -7.125 419 H LYS 48 HN LYS 48 9.328 -3.355 -1.992 420 HA LYS 48 HA LYS 48 9.978 -0.831 -2.651 421 HB2 LYS 48 HB2 LYS 48 12.397 -1.883 -2.870 422 HB3 LYS 48 HB1 LYS 48 11.535 -1.753 -1.333 423 HG2 LYS 48 HG2 LYS 48 10.638 -4.149 -2.334 424 HG3 LYS 48 HG1 LYS 48 12.322 -4.108 -2.873 425 HD2 LYS 48 HD2 LYS 48 11.429 -3.631 -0.030 426 HD3 LYS 48 HD1 LYS 48 12.000 -5.185 -0.644 427 HE2 LYS 48 HE2 LYS 48 14.163 -4.195 -1.162 428 HE3 LYS 48 HE1 LYS 48 13.591 -2.618 -0.624 429 HZ1 LYS 48 HZ1 LYS 48 13.541 -4.942 1.211 430 HZ2 LYS 48 HZ2 LYS 48 13.565 -3.287 1.580 431 HZ3 LYS 48 HZ3 LYS 48 14.961 -4.038 0.996 432 H TYR 49 HN TYR 49 9.788 -3.288 -5.054 433 HA TYR 49 HA TYR 49 9.776 -3.091 -7.313 434 HB2 TYR 49 HB2 TYR 49 8.948 -0.812 -7.180 435 HB3 TYR 49 HB1 TYR 49 10.574 -0.232 -6.826 436 HD1 TYR 49 HD2 TYR 49 9.383 -2.666 -9.393 437 HD2 TYR 49 HD1 TYR 49 11.250 1.083 -8.634 438 HE1 TYR 49 HE2 TYR 49 9.848 -2.421 -11.791 439 HE2 TYR 49 HE1 TYR 49 11.726 1.332 -11.034 440 HH TYR 49 HH TYR 49 10.310 -0.701 -13.412 441 H SER 50 HN SER 50 12.540 -1.354 -5.878 442 HA SER 50 HA SER 50 14.355 -1.533 -7.921 443 HB2 SER 50 HB2 SER 50 14.716 -0.308 -5.793 444 HB3 SER 50 HB1 SER 50 15.006 -1.845 -4.980 445 HG SER 50 HG SER 50 16.762 -0.344 -6.228 446 HA PRO 51 HA PRO 51 15.419 -6.037 -6.955 447 HB2 PRO 51 HB2 PRO 51 14.455 -7.199 -4.709 448 HB3 PRO 51 HB1 PRO 51 15.978 -6.314 -4.750 449 HG2 PRO 51 HG2 PRO 51 13.489 -5.625 -3.423 450 HG3 PRO 51 HG1 PRO 51 15.069 -4.833 -3.292 451 HD2 PRO 51 HD2 PRO 51 12.732 -4.101 -4.867 452 HD3 PRO 51 HD1 PRO 51 14.158 -3.124 -4.471 453 H ILE 52 HN ILE 52 12.535 -4.782 -7.287 454 HA ILE 52 HA ILE 52 10.347 -5.364 -7.518 455 HB ILE 52 HB ILE 52 11.081 -8.050 -8.561 456 HG12 ILE 52 HG12 ILE 52 11.937 -5.460 -9.852 457 HG13 ILE 52 HG11 ILE 52 12.992 -6.729 -9.227 458 HG21 ILE 52 HG21 ILE 52 9.471 -5.806 -9.782 459 HG22 ILE 52 HG22 ILE 52 8.783 -7.015 -8.700 460 HG23 ILE 52 HG23 ILE 52 9.465 -7.505 -10.255 461 HD11 ILE 52 HD11 ILE 52 12.170 -8.256 -10.940 462 HD12 ILE 52 HD12 ILE 52 12.833 -6.791 -11.663 463 HD13 ILE 52 HD13 ILE 52 11.087 -7.005 -11.548 464 H SER 53 HN SER 53 9.564 -8.304 -7.538 465 HA SER 53 HA SER 53 9.610 -8.645 -4.655 466 HB2 SER 53 HB2 SER 53 7.721 -10.331 -5.243 467 HB3 SER 53 HB1 SER 53 7.394 -8.600 -5.347 468 HG SER 53 HG SER 53 8.065 -10.309 -7.517 469 H GLU 54 HN GLU 54 11.785 -9.395 -4.811 470 HA GLU 54 HA GLU 54 13.377 -10.998 -4.721 471 HB2 GLU 54 HB2 GLU 54 11.062 -12.457 -4.380 472 HB3 GLU 54 HB1 GLU 54 11.837 -13.263 -5.737 473 HG2 GLU 54 HG2 GLU 54 12.514 -14.330 -3.705 474 HG3 GLU 54 HG1 GLU 54 13.895 -13.469 -4.386 475 H LEU 55 HN LEU 55 14.817 -10.615 -6.234 476 HA LEU 55 HA LEU 55 14.231 -10.849 -9.046 477 HB2 LEU 55 HB2 LEU 55 16.774 -10.295 -7.518 478 HB3 LEU 55 HB1 LEU 55 16.720 -10.404 -9.267 479 HG LEU 55 HG LEU 55 15.184 -8.395 -7.616 480 HD11 LEU 55 HD11 LEU 55 16.777 -6.766 -8.474 481 HD12 LEU 55 HD12 LEU 55 17.673 -8.051 -9.285 482 HD13 LEU 55 HD13 LEU 55 17.594 -8.004 -7.523 483 HD21 LEU 55 HD21 LEU 55 14.072 -8.938 -9.699 484 HD22 LEU 55 HD22 LEU 55 15.572 -8.681 -10.591 485 HD23 LEU 55 HD23 LEU 55 14.780 -7.325 -9.788 486 H1 MET 1 HT1 MET 1 -5.631 -13.073 -9.709 487 H2 MET 1 HT2 MET 1 -5.283 -13.196 -11.358 488 H3 MET 1 HT3 MET 1 -6.389 -14.265 -10.644 489 HA MET 1 HA MET 1 -7.479 -12.541 -11.957 490 HB2 MET 1 HB2 MET 1 -7.924 -12.743 -9.005 491 HB3 MET 1 HB1 MET 1 -8.870 -11.595 -9.939 492 HG2 MET 1 HG2 MET 1 -9.649 -13.431 -11.373 493 HG3 MET 1 HG1 MET 1 -8.735 -14.566 -10.380 494 HE1 MET 1 HE1 MET 1 -12.135 -12.008 -8.585 495 HE2 MET 1 HE2 MET 1 -11.589 -11.813 -10.251 496 HE3 MET 1 HE3 MET 1 -10.506 -11.415 -8.916 497 H LYS 2 HN LYS 2 -5.918 -11.191 -9.049 498 HA LYS 2 HA LYS 2 -6.114 -8.552 -10.279 499 HB2 LYS 2 HB2 LYS 2 -5.576 -9.435 -7.453 500 HB3 LYS 2 HB1 LYS 2 -5.351 -7.774 -7.980 501 HG2 LYS 2 HG2 LYS 2 -7.957 -9.194 -8.390 502 HG3 LYS 2 HG1 LYS 2 -7.566 -8.409 -6.864 503 HD2 LYS 2 HD2 LYS 2 -8.893 -6.951 -8.338 504 HD3 LYS 2 HD1 LYS 2 -7.303 -6.271 -8.001 505 HE2 LYS 2 HE2 LYS 2 -6.498 -6.860 -10.157 506 HE3 LYS 2 HE1 LYS 2 -7.916 -7.859 -10.483 507 HZ1 LYS 2 HZ1 LYS 2 -9.277 -5.851 -10.474 508 HZ2 LYS 2 HZ2 LYS 2 -8.058 -5.768 -11.650 509 HZ3 LYS 2 HZ3 LYS 2 -7.899 -4.896 -10.207 510 H ALA 3 HN ALA 3 -3.861 -7.917 -8.263 511 HA ALA 3 HA ALA 3 -1.713 -7.278 -8.448 512 HB1 ALA 3 HB1 ALA 3 -1.392 -9.431 -10.536 513 HB2 ALA 3 HB2 ALA 3 -1.153 -9.649 -8.801 514 HB3 ALA 3 HB3 ALA 3 -0.096 -8.566 -9.710 515 H THR 4 HN THR 4 -1.302 -5.384 -9.260 516 HA THR 4 HA THR 4 -2.125 -4.819 -12.006 517 HB THR 4 HB THR 4 -2.122 -2.424 -11.250 518 HG1 THR 4 HG1 THR 4 -2.449 -3.013 -8.632 519 HG21 THR 4 HG21 THR 4 -4.269 -2.567 -10.136 520 HG22 THR 4 HG22 THR 4 -3.976 -4.258 -9.725 521 HG23 THR 4 HG23 THR 4 -4.193 -3.780 -11.412 522 H GLY 5 HN GLY 5 0.360 -3.893 -9.648 523 HA2 GLY 5 HA2 GLY 5 2.658 -3.855 -9.956 524 HA3 GLY 5 HA1 GLY 5 2.416 -4.267 -11.642 525 H ILE 6 HN ILE 6 1.262 -1.545 -9.676 526 HA ILE 6 HA ILE 6 2.608 0.252 -11.578 527 HB ILE 6 HB ILE 6 0.382 0.928 -11.596 528 HG12 ILE 6 HG12 ILE 6 0.226 3.040 -10.275 529 HG13 ILE 6 HG11 ILE 6 1.685 2.566 -9.416 530 HG21 ILE 6 HG21 ILE 6 -0.436 -0.522 -9.845 531 HG22 ILE 6 HG22 ILE 6 -1.059 1.114 -9.631 532 HG23 ILE 6 HG23 ILE 6 0.261 0.532 -8.615 533 HD11 ILE 6 HD11 ILE 6 2.201 4.175 -11.125 534 HD12 ILE 6 HD12 ILE 6 1.455 3.153 -12.356 535 HD13 ILE 6 HD13 ILE 6 2.921 2.617 -11.533 536 H VAL 7 HN VAL 7 4.557 0.740 -10.871 537 HA VAL 7 HA VAL 7 5.168 0.783 -8.048 538 HB VAL 7 HB VAL 7 6.840 1.200 -10.506 539 HG11 VAL 7 HG11 VAL 7 7.617 2.847 -8.863 540 HG12 VAL 7 HG12 VAL 7 8.787 1.534 -9.043 541 HG13 VAL 7 HG13 VAL 7 7.719 1.582 -7.639 542 HG21 VAL 7 HG21 VAL 7 6.954 -0.768 -8.222 543 HG22 VAL 7 HG22 VAL 7 7.997 -0.766 -9.643 544 HG23 VAL 7 HG23 VAL 7 6.270 -1.080 -9.818 545 H ARG 8 HN ARG 8 5.504 2.542 -6.732 546 HA ARG 8 HA ARG 8 5.333 5.203 -7.900 547 HB2 ARG 8 HB2 ARG 8 3.243 5.343 -7.008 548 HB3 ARG 8 HB1 ARG 8 3.470 3.909 -6.025 549 HG2 ARG 8 HG2 ARG 8 3.009 5.823 -4.617 550 HG3 ARG 8 HG1 ARG 8 4.658 5.265 -4.327 551 HD2 ARG 8 HD2 ARG 8 4.626 7.650 -4.400 552 HD3 ARG 8 HD1 ARG 8 5.487 7.030 -5.812 553 HE ARG 8 HE ARG 8 3.037 7.399 -6.821 554 HH11 ARG 8 HH11 ARG 8 4.981 9.480 -4.760 555 HH12 ARG 8 HH12 ARG 8 4.378 10.955 -5.465 556 HH21 ARG 8 HH21 ARG 8 2.264 9.335 -7.770 557 HH22 ARG 8 HH22 ARG 8 2.838 10.867 -7.182 558 H ARG 9 HN ARG 9 7.075 6.340 -7.208 559 HA ARG 9 HA ARG 9 8.665 5.369 -4.966 560 HB2 ARG 9 HB2 ARG 9 9.462 6.457 -7.209 561 HB3 ARG 9 HB1 ARG 9 9.139 7.973 -6.360 562 HG2 ARG 9 HG2 ARG 9 11.181 7.832 -5.532 563 HG3 ARG 9 HG1 ARG 9 10.645 6.426 -4.598 564 HD2 ARG 9 HD2 ARG 9 12.699 6.154 -6.122 565 HD3 ARG 9 HD1 ARG 9 11.446 4.915 -6.175 566 HE ARG 9 HE ARG 9 10.874 6.847 -8.123 567 HH11 ARG 9 HH11 ARG 9 13.368 4.469 -7.482 568 HH12 ARG 9 HH12 ARG 9 13.584 4.064 -9.164 569 HH21 ARG 9 HH21 ARG 9 11.173 6.329 -10.329 570 HH22 ARG 9 HH22 ARG 9 12.368 5.145 -10.775 571 H ILE 10 HN ILE 10 7.744 5.732 -3.081 572 HA ILE 10 HA ILE 10 5.876 7.002 -1.942 573 HB ILE 10 HB ILE 10 7.540 7.914 -0.081 574 HG12 ILE 10 HG12 ILE 10 9.718 6.920 -0.080 575 HG13 ILE 10 HG11 ILE 10 9.319 5.887 -1.447 576 HG21 ILE 10 HG21 ILE 10 7.747 5.482 0.648 577 HG22 ILE 10 HG22 ILE 10 6.886 5.100 -0.852 578 HG23 ILE 10 HG23 ILE 10 6.128 6.126 0.369 579 HD11 ILE 10 HD11 ILE 10 10.768 7.517 -2.270 580 HD12 ILE 10 HD12 ILE 10 9.917 8.818 -1.443 581 HD13 ILE 10 HD13 ILE 10 9.162 8.005 -2.815 582 H ASP 11 HN ASP 11 8.209 9.261 -0.964 583 HA ASP 11 HA ASP 11 8.164 11.376 -2.592 584 HB2 ASP 11 HB2 ASP 11 6.271 12.732 -2.199 585 HB3 ASP 11 HB1 ASP 11 5.592 11.122 -2.389 586 H ASP 12 HN ASP 12 7.702 13.533 -0.854 587 HA ASP 12 HA ASP 12 10.020 13.390 0.770 588 HB2 ASP 12 HB2 ASP 12 9.188 15.478 -0.262 589 HB3 ASP 12 HB1 ASP 12 7.775 15.423 0.783 590 H LEU 13 HN LEU 13 6.760 12.543 1.279 591 HA LEU 13 HA LEU 13 7.042 12.589 4.193 592 HB2 LEU 13 HB2 LEU 13 5.079 13.671 3.100 593 HB3 LEU 13 HB1 LEU 13 4.586 12.097 2.513 594 HG LEU 13 HG LEU 13 3.452 13.069 4.614 595 HD11 LEU 13 HD11 LEU 13 4.551 10.269 4.574 596 HD12 LEU 13 HD12 LEU 13 3.063 10.828 3.808 597 HD13 LEU 13 HD13 LEU 13 3.202 10.821 5.569 598 HD21 LEU 13 HD21 LEU 13 6.019 12.035 5.811 599 HD22 LEU 13 HD22 LEU 13 4.576 12.486 6.720 600 HD23 LEU 13 HD23 LEU 13 5.462 13.708 5.807 601 H GLY 14 HN GLY 14 5.661 10.370 1.721 602 HA2 GLY 14 HA2 GLY 14 6.885 8.118 1.824 603 HA3 GLY 14 HA1 GLY 14 6.355 8.135 3.501 604 H ARG 15 HN ARG 15 4.248 9.576 1.202 605 HA ARG 15 HA ARG 15 2.167 7.700 1.692 606 HB2 ARG 15 HB2 ARG 15 2.455 9.762 -0.488 607 HB3 ARG 15 HB1 ARG 15 0.975 8.904 -0.086 608 HG2 ARG 15 HG2 ARG 15 0.592 10.150 1.768 609 HG3 ARG 15 HG1 ARG 15 2.315 10.500 2.032 610 HD2 ARG 15 HD2 ARG 15 1.246 11.425 -0.498 611 HD3 ARG 15 HD1 ARG 15 0.515 12.205 0.907 612 HE ARG 15 HE ARG 15 3.441 12.130 0.559 613 HH11 ARG 15 HH11 ARG 15 0.466 13.949 0.983 614 HH12 ARG 15 HH12 ARG 15 1.261 15.494 0.968 615 HH21 ARG 15 HH21 ARG 15 4.479 14.152 0.532 616 HH22 ARG 15 HH22 ARG 15 3.543 15.618 0.730 617 H VAL 16 HN VAL 16 1.410 6.068 0.415 618 HA VAL 16 HA VAL 16 2.835 5.596 -2.106 619 HB VAL 16 HB VAL 16 1.028 3.723 -0.562 620 HG11 VAL 16 HG11 VAL 16 2.700 3.260 -3.026 621 HG12 VAL 16 HG12 VAL 16 0.939 3.332 -2.963 622 HG13 VAL 16 HG13 VAL 16 1.796 2.024 -2.148 623 HG21 VAL 16 HG21 VAL 16 4.027 3.741 -0.894 624 HG22 VAL 16 HG22 VAL 16 3.094 2.468 -0.107 625 HG23 VAL 16 HG23 VAL 16 3.137 4.090 0.587 626 H VAL 17 HN VAL 17 1.864 6.853 -3.549 627 HA VAL 17 HA VAL 17 -0.822 7.708 -3.231 628 HB VAL 17 HB VAL 17 0.978 8.007 -5.641 629 HG11 VAL 17 HG11 VAL 17 -1.581 9.425 -4.906 630 HG12 VAL 17 HG12 VAL 17 -1.358 8.288 -6.239 631 HG13 VAL 17 HG13 VAL 17 -0.531 9.847 -6.262 632 HG21 VAL 17 HG21 VAL 17 1.380 10.274 -4.779 633 HG22 VAL 17 HG22 VAL 17 1.931 9.037 -3.649 634 HG23 VAL 17 HG23 VAL 17 0.418 9.891 -3.350 635 H ILE 18 HN ILE 18 -2.287 6.153 -3.325 636 HA ILE 18 HA ILE 18 -2.230 4.196 -5.458 637 HB ILE 18 HB ILE 18 -3.790 4.475 -2.904 638 HG12 ILE 18 HG12 ILE 18 -2.061 2.344 -4.180 639 HG13 ILE 18 HG11 ILE 18 -1.700 3.312 -2.756 640 HG21 ILE 18 HG21 ILE 18 -4.521 2.669 -5.221 641 HG22 ILE 18 HG22 ILE 18 -5.505 3.957 -4.524 642 HG23 ILE 18 HG23 ILE 18 -5.152 2.509 -3.581 643 HD11 ILE 18 HD11 ILE 18 -2.288 1.054 -2.132 644 HD12 ILE 18 HD12 ILE 18 -3.830 1.198 -2.976 645 HD13 ILE 18 HD13 ILE 18 -3.509 2.186 -1.551 646 HA PRO 19 HA PRO 19 -4.793 6.766 -8.098 647 HB2 PRO 19 HB2 PRO 19 -4.899 4.012 -9.258 648 HB3 PRO 19 HB1 PRO 19 -4.735 5.568 -10.083 649 HG2 PRO 19 HG2 PRO 19 -2.595 4.086 -9.750 650 HG3 PRO 19 HG1 PRO 19 -2.510 5.824 -9.387 651 HD2 PRO 19 HD2 PRO 19 -2.732 3.508 -7.503 652 HD3 PRO 19 HD1 PRO 19 -1.763 4.993 -7.356 653 H LYS 20 HN LYS 20 -6.968 6.948 -8.373 654 HA LYS 20 HA LYS 20 -8.642 5.740 -6.468 655 HB2 LYS 20 HB2 LYS 20 -10.503 6.824 -7.839 656 HB3 LYS 20 HB1 LYS 20 -9.315 7.870 -7.082 657 HG2 LYS 20 HG2 LYS 20 -9.051 7.013 -9.947 658 HG3 LYS 20 HG1 LYS 20 -10.021 8.409 -9.475 659 HD2 LYS 20 HD2 LYS 20 -8.040 9.390 -8.391 660 HD3 LYS 20 HD1 LYS 20 -7.081 8.008 -8.915 661 HE2 LYS 20 HE2 LYS 20 -8.474 10.001 -10.699 662 HE3 LYS 20 HE1 LYS 20 -6.743 9.915 -10.388 663 HZ1 LYS 20 HZ1 LYS 20 -6.870 7.588 -11.332 664 HZ2 LYS 20 HZ2 LYS 20 -7.087 8.861 -12.433 665 HZ3 LYS 20 HZ3 LYS 20 -8.427 7.989 -11.877 666 H GLU 21 HN GLU 21 -7.654 4.685 -9.560 667 HA GLU 21 HA GLU 21 -9.879 3.145 -10.305 668 HB2 GLU 21 HB2 GLU 21 -7.773 1.683 -11.268 669 HB3 GLU 21 HB1 GLU 21 -8.538 3.035 -12.086 670 HG2 GLU 21 HG2 GLU 21 -6.303 3.507 -10.179 671 HG3 GLU 21 HG1 GLU 21 -5.969 2.965 -11.824 672 H ILE 22 HN ILE 22 -7.701 2.671 -7.699 673 HA ILE 22 HA ILE 22 -8.123 -0.214 -7.682 674 HB ILE 22 HB ILE 22 -6.464 1.528 -5.842 675 HG12 ILE 22 HG12 ILE 22 -4.703 -0.143 -6.973 676 HG13 ILE 22 HG11 ILE 22 -5.912 -0.116 -8.253 677 HG21 ILE 22 HG21 ILE 22 -7.380 -0.393 -4.642 678 HG22 ILE 22 HG22 ILE 22 -5.640 -0.559 -4.874 679 HG23 ILE 22 HG23 ILE 22 -6.755 -1.474 -5.888 680 HD11 ILE 22 HD11 ILE 22 -4.161 1.507 -8.653 681 HD12 ILE 22 HD12 ILE 22 -4.524 2.289 -7.114 682 HD13 ILE 22 HD13 ILE 22 -5.722 2.292 -8.410 683 H ARG 23 HN ARG 23 -8.619 2.665 -5.692 684 HA ARG 23 HA ARG 23 -10.361 1.539 -3.790 685 HB2 ARG 23 HB2 ARG 23 -9.777 3.558 -2.988 686 HB3 ARG 23 HB1 ARG 23 -9.416 4.179 -4.584 687 HG2 ARG 23 HG2 ARG 23 -12.233 3.986 -3.586 688 HG3 ARG 23 HG1 ARG 23 -11.202 5.357 -3.197 689 HD2 ARG 23 HD2 ARG 23 -10.820 5.218 -5.853 690 HD3 ARG 23 HD1 ARG 23 -12.455 4.580 -5.738 691 HE ARG 23 HE ARG 23 -11.934 7.108 -4.374 692 HH11 ARG 23 HH11 ARG 23 -13.250 5.461 -7.173 693 HH12 ARG 23 HH12 ARG 23 -14.121 6.847 -7.750 694 HH21 ARG 23 HH21 ARG 23 -13.067 8.934 -5.112 695 HH22 ARG 23 HH22 ARG 23 -14.022 8.832 -6.569 696 H ARG 24 HN ARG 24 -10.793 2.727 -7.004 697 HA ARG 24 HA ARG 24 -13.574 2.715 -7.127 698 HB2 ARG 24 HB2 ARG 24 -12.290 3.754 -8.874 699 HB3 ARG 24 HB1 ARG 24 -11.502 2.232 -9.266 700 HG2 ARG 24 HG2 ARG 24 -13.564 1.310 -10.066 701 HG3 ARG 24 HG1 ARG 24 -14.444 2.759 -9.562 702 HD2 ARG 24 HD2 ARG 24 -14.094 2.978 -11.892 703 HD3 ARG 24 HD1 ARG 24 -12.953 4.071 -11.112 704 HE ARG 24 HE ARG 24 -11.902 1.445 -11.746 705 HH11 ARG 24 HH11 ARG 24 -12.297 4.779 -12.767 706 HH12 ARG 24 HH12 ARG 24 -11.061 4.683 -13.989 707 HH21 ARG 24 HH21 ARG 24 -10.277 1.318 -13.330 708 HH22 ARG 24 HH22 ARG 24 -9.903 2.708 -14.307 709 H THR 25 HN THR 25 -11.238 0.090 -8.133 710 HA THR 25 HA THR 25 -13.232 -1.787 -8.606 711 HB THR 25 HB THR 25 -10.421 -2.323 -7.606 712 HG1 THR 25 HG1 THR 25 -10.158 -1.004 -9.368 713 HG21 THR 25 HG21 THR 25 -10.616 -4.369 -8.949 714 HG22 THR 25 HG22 THR 25 -12.269 -3.930 -9.381 715 HG23 THR 25 HG23 THR 25 -11.863 -4.296 -7.704 716 H LEU 26 HN LEU 26 -11.642 -0.693 -5.715 717 HA LEU 26 HA LEU 26 -12.503 -2.642 -3.886 718 HB2 LEU 26 HB2 LEU 26 -11.377 0.055 -3.817 719 HB3 LEU 26 HB1 LEU 26 -12.483 -0.252 -2.488 720 HG LEU 26 HG LEU 26 -10.254 -0.740 -1.760 721 HD11 LEU 26 HD11 LEU 26 -11.770 -3.292 -2.285 722 HD12 LEU 26 HD12 LEU 26 -12.026 -2.191 -0.932 723 HD13 LEU 26 HD13 LEU 26 -10.504 -3.069 -1.079 724 HD21 LEU 26 HD21 LEU 26 -10.090 -2.618 -4.117 725 HD22 LEU 26 HD22 LEU 26 -8.889 -2.486 -2.832 726 HD23 LEU 26 HD23 LEU 26 -9.188 -1.118 -3.906 727 H ARG 27 HN ARG 27 -14.201 -0.217 -5.599 728 HA ARG 27 HA ARG 27 -16.373 0.438 -5.667 729 HB2 ARG 27 HB2 ARG 27 -16.469 -2.121 -4.429 730 HB3 ARG 27 HB1 ARG 27 -17.599 -1.074 -3.587 731 HG2 ARG 27 HG2 ARG 27 -18.620 -2.343 -5.442 732 HG3 ARG 27 HG1 ARG 27 -18.771 -0.595 -5.617 733 HD2 ARG 27 HD2 ARG 27 -18.195 -1.694 -7.736 734 HD3 ARG 27 HD1 ARG 27 -16.951 -0.562 -7.211 735 HE ARG 27 HE ARG 27 -15.761 -2.628 -6.362 736 HH11 ARG 27 HH11 ARG 27 -18.028 -2.794 -9.018 737 HH12 ARG 27 HH12 ARG 27 -17.172 -4.060 -9.847 738 HH21 ARG 27 HH21 ARG 27 -14.627 -4.289 -7.434 739 HH22 ARG 27 HH22 ARG 27 -15.224 -4.908 -8.950 740 H ILE 28 HN ILE 28 -14.333 1.449 -3.806 741 HA ILE 28 HA ILE 28 -16.084 2.656 -1.759 742 HB ILE 28 HB ILE 28 -13.109 2.377 -1.405 743 HG12 ILE 28 HG12 ILE 28 -15.230 0.325 -0.687 744 HG13 ILE 28 HG11 ILE 28 -13.999 0.131 -1.928 745 HG21 ILE 28 HG21 ILE 28 -13.753 2.404 0.982 746 HG22 ILE 28 HG22 ILE 28 -15.452 2.498 0.520 747 HG23 ILE 28 HG23 ILE 28 -14.360 3.830 0.139 748 HD11 ILE 28 HD11 ILE 28 -13.493 0.411 1.019 749 HD12 ILE 28 HD12 ILE 28 -12.266 0.184 -0.228 750 HD13 ILE 28 HD13 ILE 28 -13.446 -1.088 0.092 751 H ARG 29 HN ARG 29 -14.082 4.567 -0.932 752 HA ARG 29 HA ARG 29 -13.674 6.259 -3.229 753 HB2 ARG 29 HB2 ARG 29 -15.319 7.857 -2.840 754 HB3 ARG 29 HB1 ARG 29 -16.165 6.357 -2.509 755 HG2 ARG 29 HG2 ARG 29 -15.211 8.447 -0.588 756 HG3 ARG 29 HG1 ARG 29 -16.837 7.810 -0.816 757 HD2 ARG 29 HD2 ARG 29 -14.560 6.145 0.226 758 HD3 ARG 29 HD1 ARG 29 -15.590 7.108 1.284 759 HE ARG 29 HE ARG 29 -16.758 5.043 -0.468 760 HH11 ARG 29 HH11 ARG 29 -16.270 6.482 2.682 761 HH12 ARG 29 HH12 ARG 29 -17.239 5.309 3.525 762 HH21 ARG 29 HH21 ARG 29 -18.015 3.462 0.631 763 HH22 ARG 29 HH22 ARG 29 -18.221 3.582 2.350 764 H GLU 30 HN GLU 30 -13.605 8.719 -1.883 765 HA GLU 30 HA GLU 30 -11.011 8.602 -0.708 766 HB2 GLU 30 HB2 GLU 30 -13.024 10.776 -1.181 767 HB3 GLU 30 HB1 GLU 30 -11.554 11.086 -0.263 768 HG2 GLU 30 HG2 GLU 30 -11.151 11.704 -2.504 769 HG3 GLU 30 HG1 GLU 30 -10.249 10.226 -2.172 770 H GLY 31 HN GLY 31 -13.012 7.139 0.697 771 HA2 GLY 31 HA2 GLY 31 -12.262 8.055 3.336 772 HA3 GLY 31 HA1 GLY 31 -13.998 7.863 3.047 773 H ASP 32 HN ASP 32 -11.640 5.950 1.437 774 HA ASP 32 HA ASP 32 -12.569 3.494 2.649 775 HB2 ASP 32 HB2 ASP 32 -12.170 3.353 0.318 776 HB3 ASP 32 HB1 ASP 32 -10.607 4.156 0.455 777 HA PRO 33 HA PRO 33 -9.064 3.467 5.371 778 HB2 PRO 33 HB2 PRO 33 -9.935 1.231 6.737 779 HB3 PRO 33 HB1 PRO 33 -10.306 2.905 7.161 780 HG2 PRO 33 HG2 PRO 33 -12.103 0.912 6.190 781 HG3 PRO 33 HG1 PRO 33 -12.453 2.601 6.576 782 HD2 PRO 33 HD2 PRO 33 -12.019 1.336 3.948 783 HD3 PRO 33 HD1 PRO 33 -12.826 2.869 4.354 784 H LEU 34 HN LEU 34 -7.207 2.283 5.409 785 HA LEU 34 HA LEU 34 -7.321 -0.418 4.319 786 HB2 LEU 34 HB2 LEU 34 -5.072 1.470 3.645 787 HB3 LEU 34 HB1 LEU 34 -5.396 -0.111 2.963 788 HG LEU 34 HG LEU 34 -7.664 1.499 2.461 789 HD11 LEU 34 HD11 LEU 34 -6.243 3.435 2.844 790 HD12 LEU 34 HD12 LEU 34 -6.692 3.299 1.144 791 HD13 LEU 34 HD13 LEU 34 -5.079 2.822 1.670 792 HD21 LEU 34 HD21 LEU 34 -5.463 0.522 0.640 793 HD22 LEU 34 HD22 LEU 34 -7.059 1.071 0.126 794 HD23 LEU 34 HD23 LEU 34 -6.902 -0.385 1.108 795 H GLU 35 HN GLU 35 -5.714 -1.727 5.052 796 HA GLU 35 HA GLU 35 -4.582 -0.829 7.620 797 HB2 GLU 35 HB2 GLU 35 -6.145 -2.672 7.969 798 HB3 GLU 35 HB1 GLU 35 -5.268 -3.646 6.802 799 HG2 GLU 35 HG2 GLU 35 -3.366 -3.789 8.205 800 HG3 GLU 35 HG1 GLU 35 -4.020 -2.583 9.316 801 H ILE 36 HN ILE 36 -2.551 -0.355 7.461 802 HA ILE 36 HA ILE 36 -0.961 -1.409 5.283 803 HB ILE 36 HB ILE 36 -0.457 0.685 7.421 804 HG12 ILE 36 HG12 ILE 36 -0.168 2.115 5.274 805 HG13 ILE 36 HG11 ILE 36 -1.020 0.800 4.476 806 HG21 ILE 36 HG21 ILE 36 1.670 1.186 6.318 807 HG22 ILE 36 HG22 ILE 36 1.439 -0.205 5.258 808 HG23 ILE 36 HG23 ILE 36 1.638 -0.442 6.994 809 HD11 ILE 36 HD11 ILE 36 -2.860 1.147 6.184 810 HD12 ILE 36 HD12 ILE 36 -2.643 2.412 4.979 811 HD13 ILE 36 HD13 ILE 36 -2.034 2.650 6.616 812 H PHE 37 HN PHE 37 -0.147 -3.350 5.625 813 HA PHE 37 HA PHE 37 1.626 -3.661 7.877 814 HB2 PHE 37 HB2 PHE 37 0.704 -5.595 8.835 815 HB3 PHE 37 HB1 PHE 37 -0.677 -4.532 8.581 816 HD1 PHE 37 HD2 PHE 37 -2.350 -5.046 6.896 817 HD2 PHE 37 HD1 PHE 37 0.920 -7.663 7.638 818 HE1 PHE 37 HE2 PHE 37 -3.527 -6.853 5.711 819 HE2 PHE 37 HE1 PHE 37 -0.250 -9.473 6.458 820 HZ PHE 37 HZ PHE 37 -2.478 -9.069 5.491 821 H VAL 38 HN VAL 38 3.443 -4.579 7.240 822 HA VAL 38 HA VAL 38 3.613 -5.455 4.502 823 HB VAL 38 HB VAL 38 5.456 -4.147 5.084 824 HG11 VAL 38 HG11 VAL 38 6.843 -4.466 7.078 825 HG12 VAL 38 HG12 VAL 38 5.800 -5.796 7.587 826 HG13 VAL 38 HG13 VAL 38 5.161 -4.153 7.504 827 HG21 VAL 38 HG21 VAL 38 6.243 -6.027 3.831 828 HG22 VAL 38 HG22 VAL 38 6.299 -7.045 5.268 829 HG23 VAL 38 HG23 VAL 38 7.435 -5.701 5.092 830 H ASP 39 HN ASP 39 4.064 -7.379 3.729 831 HA ASP 39 HA ASP 39 3.220 -9.626 5.283 832 HB2 ASP 39 HB2 ASP 39 2.877 -9.160 2.744 833 HB3 ASP 39 HB1 ASP 39 4.520 -9.798 2.561 834 H ARG 40 HN ARG 40 6.302 -8.585 3.842 835 HA ARG 40 HA ARG 40 7.625 -10.736 5.328 836 HB2 ARG 40 HB2 ARG 40 8.460 -10.056 2.566 837 HB3 ARG 40 HB1 ARG 40 8.765 -11.519 3.496 838 HG2 ARG 40 HG2 ARG 40 6.660 -12.355 3.124 839 HG3 ARG 40 HG1 ARG 40 5.987 -10.744 2.790 840 HD2 ARG 40 HD2 ARG 40 6.177 -11.991 0.740 841 HD3 ARG 40 HD1 ARG 40 7.300 -10.636 0.775 842 HE ARG 40 HE ARG 40 8.240 -13.333 1.463 843 HH11 ARG 40 HH11 ARG 40 8.426 -10.494 -0.613 844 HH12 ARG 40 HH12 ARG 40 9.895 -11.022 -1.373 845 HH21 ARG 40 HH21 ARG 40 10.180 -13.987 0.467 846 HH22 ARG 40 HH22 ARG 40 10.897 -12.991 -0.773 847 H ASP 41 HN ASP 41 8.656 -8.308 2.982 848 HA ASP 41 HA ASP 41 10.710 -7.424 4.900 849 HB2 ASP 41 HB2 ASP 41 11.688 -8.856 3.186 850 HB3 ASP 41 HB1 ASP 41 10.924 -7.888 1.925 851 H GLY 42 HN GLY 42 9.519 -6.541 1.702 852 HA2 GLY 42 HA2 GLY 42 9.210 -3.768 2.665 853 HA3 GLY 42 HA1 GLY 42 10.044 -4.124 1.160 854 H GLU 43 HN GLU 43 7.553 -6.284 1.641 855 HA GLU 43 HA GLU 43 5.862 -4.853 -0.236 856 HB2 GLU 43 HB2 GLU 43 4.520 -7.130 0.092 857 HB3 GLU 43 HB1 GLU 43 5.884 -6.994 -1.014 858 HG2 GLU 43 HG2 GLU 43 6.377 -7.804 1.802 859 HG3 GLU 43 HG1 GLU 43 5.698 -8.979 0.667 860 H VAL 44 HN VAL 44 4.624 -3.394 0.760 861 HA VAL 44 HA VAL 44 3.455 -4.031 3.351 862 HB VAL 44 HB VAL 44 2.718 -1.559 1.851 863 HG11 VAL 44 HG11 VAL 44 1.662 -2.021 3.974 864 HG12 VAL 44 HG12 VAL 44 2.725 -0.623 4.128 865 HG13 VAL 44 HG13 VAL 44 3.234 -2.191 4.755 866 HG21 VAL 44 HG21 VAL 44 5.351 -1.935 3.293 867 HG22 VAL 44 HG22 VAL 44 4.720 -0.405 2.683 868 HG23 VAL 44 HG23 VAL 44 5.146 -1.694 1.557 869 H ILE 45 HN ILE 45 1.380 -4.513 3.687 870 HA ILE 45 HA ILE 45 -0.292 -4.884 1.289 871 HB ILE 45 HB ILE 45 -0.162 -6.411 3.880 872 HG12 ILE 45 HG12 ILE 45 0.116 -8.359 2.369 873 HG13 ILE 45 HG11 ILE 45 0.018 -7.282 0.982 874 HG21 ILE 45 HG21 ILE 45 -2.349 -6.454 1.808 875 HG22 ILE 45 HG22 ILE 45 -2.499 -6.089 3.534 876 HG23 ILE 45 HG23 ILE 45 -2.114 -7.729 3.001 877 HD11 ILE 45 HD11 ILE 45 2.299 -8.034 1.562 878 HD12 ILE 45 HD12 ILE 45 2.163 -7.127 3.069 879 HD13 ILE 45 HD13 ILE 45 2.090 -6.284 1.518 880 H LEU 46 HN LEU 46 -1.827 -3.385 1.210 881 HA LEU 46 HA LEU 46 -2.881 -2.199 3.700 882 HB2 LEU 46 HB2 LEU 46 -3.493 -1.025 1.038 883 HB3 LEU 46 HB1 LEU 46 -3.134 -0.223 2.557 884 HG LEU 46 HG LEU 46 -1.019 -1.643 0.970 885 HD11 LEU 46 HD11 LEU 46 -0.432 0.536 0.031 886 HD12 LEU 46 HD12 LEU 46 -1.856 1.245 0.792 887 HD13 LEU 46 HD13 LEU 46 -2.044 0.026 -0.469 888 HD21 LEU 46 HD21 LEU 46 -0.478 -1.164 3.288 889 HD22 LEU 46 HD22 LEU 46 -0.919 0.528 3.060 890 HD23 LEU 46 HD23 LEU 46 0.472 -0.145 2.209 891 H LYS 47 HN LYS 47 -4.842 -3.038 4.272 892 HA LYS 47 HA LYS 47 -6.615 -3.755 2.030 893 HB2 LYS 47 HB2 LYS 47 -6.517 -5.874 2.626 894 HB3 LYS 47 HB1 LYS 47 -5.506 -5.474 4.000 895 HG2 LYS 47 HG2 LYS 47 -8.455 -5.147 4.228 896 HG3 LYS 47 HG1 LYS 47 -7.751 -6.763 4.303 897 HD2 LYS 47 HD2 LYS 47 -7.183 -4.413 6.110 898 HD3 LYS 47 HD1 LYS 47 -7.945 -5.960 6.536 899 HE2 LYS 47 HE2 LYS 47 -5.562 -6.797 5.511 900 HE3 LYS 47 HE1 LYS 47 -5.103 -5.249 6.237 901 HZ1 LYS 47 HZ1 LYS 47 -6.095 -5.995 8.333 902 HZ2 LYS 47 HZ2 LYS 47 -4.855 -7.035 7.834 903 HZ3 LYS 47 HZ3 LYS 47 -6.469 -7.498 7.638 904 H LYS 48 HN LYS 48 -8.824 -3.624 2.324 905 HA LYS 48 HA LYS 48 -9.614 -1.117 2.871 906 HB2 LYS 48 HB2 LYS 48 -11.958 -2.127 2.883 907 HB3 LYS 48 HB1 LYS 48 -10.929 -2.302 1.466 908 HG2 LYS 48 HG2 LYS 48 -10.216 -4.497 2.841 909 HG3 LYS 48 HG1 LYS 48 -11.889 -4.325 3.372 910 HD2 LYS 48 HD2 LYS 48 -10.968 -4.365 0.512 911 HD3 LYS 48 HD1 LYS 48 -11.639 -5.760 1.365 912 HE2 LYS 48 HE2 LYS 48 -13.623 -4.110 1.823 913 HE3 LYS 48 HE1 LYS 48 -12.975 -3.263 0.419 914 HZ1 LYS 48 HZ1 LYS 48 -13.159 -5.340 -0.854 915 HZ2 LYS 48 HZ2 LYS 48 -14.666 -4.838 -0.249 916 HZ3 LYS 48 HZ3 LYS 48 -13.836 -6.109 0.497 917 H TYR 49 HN TYR 49 -9.295 -3.385 5.440 918 HA TYR 49 HA TYR 49 -9.431 -3.034 7.675 919 HB2 TYR 49 HB2 TYR 49 -8.773 -0.731 7.402 920 HB3 TYR 49 HB1 TYR 49 -10.394 -0.311 6.862 921 HD1 TYR 49 HD2 TYR 49 -9.153 -2.249 9.817 922 HD2 TYR 49 HD1 TYR 49 -11.407 1.075 8.403 923 HE1 TYR 49 HE2 TYR 49 -9.839 -1.737 12.121 924 HE2 TYR 49 HE1 TYR 49 -12.101 1.587 10.702 925 HH TYR 49 HH TYR 49 -10.677 0.019 13.448 926 H SER 50 HN SER 50 -12.269 -1.658 6.012 927 HA SER 50 HA SER 50 -14.082 -1.802 8.075 928 HB2 SER 50 HB2 SER 50 -14.576 -0.623 6.002 929 HB3 SER 50 HB1 SER 50 -14.614 -2.144 5.113 930 HG SER 50 HG SER 50 -16.690 -1.935 5.544 931 HA PRO 51 HA PRO 51 -15.028 -6.369 7.251 932 HB2 PRO 51 HB2 PRO 51 -14.188 -7.666 5.112 933 HB3 PRO 51 HB1 PRO 51 -15.558 -6.553 4.984 934 HG2 PRO 51 HG2 PRO 51 -12.689 -6.119 4.234 935 HG3 PRO 51 HG1 PRO 51 -14.156 -5.686 3.336 936 HD2 PRO 51 HD2 PRO 51 -12.727 -3.942 4.917 937 HD3 PRO 51 HD1 PRO 51 -14.445 -3.755 4.515 938 H ILE 52 HN ILE 52 -12.243 -4.927 7.547 939 HA ILE 52 HA ILE 52 -10.055 -5.372 7.986 940 HB ILE 52 HB ILE 52 -10.753 -8.057 9.065 941 HG12 ILE 52 HG12 ILE 52 -11.767 -5.468 10.223 942 HG13 ILE 52 HG11 ILE 52 -12.761 -6.757 9.549 943 HG21 ILE 52 HG21 ILE 52 -9.282 -7.420 10.839 944 HG22 ILE 52 HG22 ILE 52 -9.350 -5.724 10.368 945 HG23 ILE 52 HG23 ILE 52 -8.514 -6.887 9.343 946 HD11 ILE 52 HD11 ILE 52 -12.035 -8.246 11.339 947 HD12 ILE 52 HD12 ILE 52 -12.781 -6.783 11.984 948 HD13 ILE 52 HD13 ILE 52 -11.027 -6.962 12.005 949 H SER 53 HN SER 53 -9.155 -8.296 8.160 950 HA SER 53 HA SER 53 -9.015 -8.733 5.282 951 HB2 SER 53 HB2 SER 53 -6.991 -10.180 5.962 952 HB3 SER 53 HB1 SER 53 -6.835 -8.426 6.097 953 HG SER 53 HG SER 53 -7.758 -9.890 8.314 954 H GLU 54 HN GLU 54 -11.086 -9.790 5.319 955 HA GLU 54 HA GLU 54 -12.629 -11.417 5.616 956 HB2 GLU 54 HB2 GLU 54 -10.187 -12.962 6.406 957 HB3 GLU 54 HB1 GLU 54 -11.773 -13.632 6.747 958 HG2 GLU 54 HG2 GLU 54 -11.077 -14.566 4.708 959 HG3 GLU 54 HG1 GLU 54 -12.292 -13.355 4.305 960 H LEU 55 HN LEU 55 -14.160 -11.257 7.095 961 HA LEU 55 HA LEU 55 -13.569 -10.491 9.795 962 HB2 LEU 55 HB2 LEU 55 -16.162 -11.150 8.400 963 HB3 LEU 55 HB1 LEU 55 -16.064 -10.622 10.067 964 HG LEU 55 HG LEU 55 -15.145 -8.992 7.697 965 HD11 LEU 55 HD11 LEU 55 -17.630 -8.730 9.381 966 HD12 LEU 55 HD12 LEU 55 -17.575 -9.311 7.717 967 HD13 LEU 55 HD13 LEU 55 -17.129 -7.644 8.085 968 HD21 LEU 55 HD21 LEU 55 -15.437 -8.322 10.623 969 HD22 LEU 55 HD22 LEU 55 -15.074 -7.163 9.345 970 HD23 LEU 55 HD23 LEU 55 -13.926 -8.449 9.719 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 8.140 -13.715 9.881 2 H2 MET 1 HT2 MET 1 8.528 -12.071 10.024 3 H3 MET 1 HT3 MET 1 7.717 -12.625 8.645 4 HA MET 1 HA MET 1 5.821 -13.261 10.039 5 HB2 MET 1 HB2 MET 1 7.330 -11.714 12.164 6 HB3 MET 1 HB1 MET 1 5.707 -12.370 12.320 7 HG2 MET 1 HG2 MET 1 8.258 -13.930 12.018 8 HG3 MET 1 HG1 MET 1 7.271 -13.784 13.471 9 HE1 MET 1 HE1 MET 1 6.825 -17.537 12.343 10 HE2 MET 1 HE2 MET 1 7.387 -16.462 13.624 11 HE3 MET 1 HE3 MET 1 8.276 -16.564 12.104 12 H LYS 2 HN LYS 2 7.461 -10.200 10.857 13 HA LYS 2 HA LYS 2 7.033 -8.042 10.329 14 HB2 LYS 2 HB2 LYS 2 5.827 -9.311 7.866 15 HB3 LYS 2 HB1 LYS 2 6.126 -7.589 8.046 16 HG2 LYS 2 HG2 LYS 2 8.176 -9.792 7.982 17 HG3 LYS 2 HG1 LYS 2 7.892 -8.550 6.758 18 HD2 LYS 2 HD2 LYS 2 8.766 -7.980 9.590 19 HD3 LYS 2 HD1 LYS 2 9.869 -8.117 8.220 20 HE2 LYS 2 HE2 LYS 2 7.553 -6.204 8.214 21 HE3 LYS 2 HE1 LYS 2 9.118 -5.775 8.914 22 HZ1 LYS 2 HZ1 LYS 2 8.709 -6.676 6.111 23 HZ2 LYS 2 HZ2 LYS 2 10.172 -6.165 6.796 24 HZ3 LYS 2 HZ3 LYS 2 8.902 -5.068 6.595 25 H ALA 3 HN ALA 3 4.614 -7.457 8.562 26 HA ALA 3 HA ALA 3 2.527 -6.681 8.791 27 HB1 ALA 3 HB1 ALA 3 1.899 -8.964 9.388 28 HB2 ALA 3 HB2 ALA 3 0.931 -7.772 10.258 29 HB3 ALA 3 HB3 ALA 3 2.244 -8.614 11.082 30 H THR 4 HN THR 4 1.487 -5.012 9.759 31 HA THR 4 HA THR 4 2.591 -4.032 12.283 32 HB THR 4 HB THR 4 2.401 -1.708 11.321 33 HG1 THR 4 HG1 THR 4 2.799 -2.623 8.773 34 HG21 THR 4 HG21 THR 4 4.563 -1.785 10.209 35 HG22 THR 4 HG22 THR 4 4.422 -3.532 10.017 36 HG23 THR 4 HG23 THR 4 4.570 -2.831 11.630 37 H GLY 5 HN GLY 5 0.066 -3.250 9.896 38 HA2 GLY 5 HA2 GLY 5 -2.241 -3.449 10.224 39 HA3 GLY 5 HA1 GLY 5 -1.926 -3.805 11.923 40 H ILE 6 HN ILE 6 -1.003 -1.048 9.891 41 HA ILE 6 HA ILE 6 -2.466 0.683 11.765 42 HB ILE 6 HB ILE 6 -0.285 1.513 11.760 43 HG12 ILE 6 HG12 ILE 6 -0.350 3.652 10.487 44 HG13 ILE 6 HG11 ILE 6 -1.764 3.056 9.624 45 HG21 ILE 6 HG21 ILE 6 -0.178 1.146 8.773 46 HG22 ILE 6 HG22 ILE 6 0.666 0.186 9.988 47 HG23 ILE 6 HG23 ILE 6 1.088 1.884 9.756 48 HD11 ILE 6 HD11 ILE 6 -1.568 3.601 12.579 49 HD12 ILE 6 HD12 ILE 6 -2.978 2.929 11.759 50 HD13 ILE 6 HD13 ILE 6 -2.434 4.562 11.379 51 H VAL 7 HN VAL 7 -4.447 1.036 11.070 52 HA VAL 7 HA VAL 7 -5.080 0.975 8.255 53 HB VAL 7 HB VAL 7 -6.776 1.434 10.697 54 HG11 VAL 7 HG11 VAL 7 -7.684 1.448 7.815 55 HG12 VAL 7 HG12 VAL 7 -7.605 2.869 8.856 56 HG13 VAL 7 HG13 VAL 7 -8.724 1.554 9.236 57 HG21 VAL 7 HG21 VAL 7 -6.663 -0.745 8.613 58 HG22 VAL 7 HG22 VAL 7 -7.829 -0.667 9.931 59 HG23 VAL 7 HG23 VAL 7 -6.111 -0.859 10.286 60 H ARG 8 HN ARG 8 -5.433 2.656 6.896 61 HA ARG 8 HA ARG 8 -5.327 5.363 7.965 62 HB2 ARG 8 HB2 ARG 8 -3.230 5.499 7.067 63 HB3 ARG 8 HB1 ARG 8 -3.434 4.027 6.138 64 HG2 ARG 8 HG2 ARG 8 -3.002 5.903 4.661 65 HG3 ARG 8 HG1 ARG 8 -4.639 5.297 4.397 66 HD2 ARG 8 HD2 ARG 8 -4.571 7.729 4.405 67 HD3 ARG 8 HD1 ARG 8 -5.538 7.094 5.739 68 HE ARG 8 HE ARG 8 -3.097 7.484 6.862 69 HH11 ARG 8 HH11 ARG 8 -5.244 9.513 4.972 70 HH12 ARG 8 HH12 ARG 8 -4.806 10.973 5.806 71 HH21 ARG 8 HH21 ARG 8 -2.481 9.417 7.934 72 HH22 ARG 8 HH22 ARG 8 -3.217 10.928 7.474 73 H ARG 9 HN ARG 9 -7.113 6.412 7.246 74 HA ARG 9 HA ARG 9 -8.661 5.245 5.070 75 HB2 ARG 9 HB2 ARG 9 -9.499 6.405 7.287 76 HB3 ARG 9 HB1 ARG 9 -9.336 7.870 6.317 77 HG2 ARG 9 HG2 ARG 9 -11.295 7.467 5.374 78 HG3 ARG 9 HG1 ARG 9 -10.724 5.891 4.798 79 HD2 ARG 9 HD2 ARG 9 -11.201 4.974 7.058 80 HD3 ARG 9 HD1 ARG 9 -11.911 6.524 7.497 81 HE ARG 9 HE ARG 9 -13.053 5.215 5.174 82 HH11 ARG 9 HH11 ARG 9 -13.304 5.946 8.591 83 HH12 ARG 9 HH12 ARG 9 -14.917 5.317 8.736 84 HH21 ARG 9 HH21 ARG 9 -15.183 4.413 5.351 85 HH22 ARG 9 HH22 ARG 9 -15.983 4.443 6.894 86 H ILE 10 HN ILE 10 -7.769 5.563 3.189 87 HA ILE 10 HA ILE 10 -5.979 6.788 1.983 88 HB ILE 10 HB ILE 10 -7.670 7.743 0.147 89 HG12 ILE 10 HG12 ILE 10 -9.814 6.678 0.154 90 HG13 ILE 10 HG11 ILE 10 -9.368 5.645 1.513 91 HG21 ILE 10 HG21 ILE 10 -6.834 4.976 0.858 92 HG22 ILE 10 HG22 ILE 10 -6.259 6.036 -0.435 93 HG23 ILE 10 HG23 ILE 10 -7.841 5.265 -0.565 94 HD11 ILE 10 HD11 ILE 10 -10.081 8.548 1.532 95 HD12 ILE 10 HD12 ILE 10 -9.242 7.782 2.880 96 HD13 ILE 10 HD13 ILE 10 -10.839 7.208 2.398 97 H ASP 11 HN ASP 11 -8.320 9.096 1.053 98 HA ASP 11 HA ASP 11 -8.194 11.221 2.653 99 HB2 ASP 11 HB2 ASP 11 -6.304 12.569 2.183 100 HB3 ASP 11 HB1 ASP 11 -5.645 10.963 2.452 101 H ASP 12 HN ASP 12 -7.690 13.352 0.928 102 HA ASP 12 HA ASP 12 -10.057 13.273 -0.631 103 HB2 ASP 12 HB2 ASP 12 -7.798 15.282 -0.554 104 HB3 ASP 12 HB1 ASP 12 -9.323 15.529 -1.400 105 H LEU 13 HN LEU 13 -6.754 12.532 -1.272 106 HA LEU 13 HA LEU 13 -7.223 12.574 -4.166 107 HB2 LEU 13 HB2 LEU 13 -5.182 13.644 -3.070 108 HB3 LEU 13 HB1 LEU 13 -4.627 12.016 -2.763 109 HG LEU 13 HG LEU 13 -3.641 13.150 -4.783 110 HD11 LEU 13 HD11 LEU 13 -3.493 10.747 -4.521 111 HD12 LEU 13 HD12 LEU 13 -3.780 11.161 -6.212 112 HD13 LEU 13 HD13 LEU 13 -5.102 10.551 -5.216 113 HD21 LEU 13 HD21 LEU 13 -5.004 13.168 -6.825 114 HD22 LEU 13 HD22 LEU 13 -5.632 14.262 -5.591 115 HD23 LEU 13 HD23 LEU 13 -6.416 12.707 -5.872 116 H GLY 14 HN GLY 14 -5.818 10.380 -1.683 117 HA2 GLY 14 HA2 GLY 14 -6.992 8.112 -1.800 118 HA3 GLY 14 HA1 GLY 14 -6.491 8.146 -3.487 119 H ARG 15 HN ARG 15 -4.288 9.527 -1.197 120 HA ARG 15 HA ARG 15 -2.360 7.499 -1.893 121 HB2 ARG 15 HB2 ARG 15 -1.997 9.549 0.270 122 HB3 ARG 15 HB1 ARG 15 -0.756 8.691 -0.626 123 HG2 ARG 15 HG2 ARG 15 -0.588 10.536 -1.823 124 HG3 ARG 15 HG1 ARG 15 -2.105 10.042 -2.587 125 HD2 ARG 15 HD2 ARG 15 -3.343 11.519 -1.412 126 HD3 ARG 15 HD1 ARG 15 -2.306 11.408 0.013 127 HE ARG 15 HE ARG 15 -0.857 12.684 -2.018 128 HH11 ARG 15 HH11 ARG 15 -3.783 13.348 -0.171 129 HH12 ARG 15 HH12 ARG 15 -3.445 15.051 -0.047 130 HH21 ARG 15 HH21 ARG 15 -0.445 14.925 -1.848 131 HH22 ARG 15 HH22 ARG 15 -1.574 15.941 -0.998 132 H VAL 16 HN VAL 16 -1.315 6.112 -0.456 133 HA VAL 16 HA VAL 16 -2.641 5.792 2.142 134 HB VAL 16 HB VAL 16 -0.963 3.782 0.627 135 HG11 VAL 16 HG11 VAL 16 -2.359 3.593 3.289 136 HG12 VAL 16 HG12 VAL 16 -0.619 3.559 3.008 137 HG13 VAL 16 HG13 VAL 16 -1.632 2.233 2.434 138 HG21 VAL 16 HG21 VAL 16 -3.061 2.505 0.485 139 HG22 VAL 16 HG22 VAL 16 -3.172 4.057 -0.345 140 HG23 VAL 16 HG23 VAL 16 -3.915 3.850 1.240 141 H VAL 17 HN VAL 17 -1.598 7.096 3.431 142 HA VAL 17 HA VAL 17 1.070 7.936 2.979 143 HB VAL 17 HB VAL 17 -0.515 8.225 5.541 144 HG11 VAL 17 HG11 VAL 17 1.832 9.759 4.433 145 HG12 VAL 17 HG12 VAL 17 1.846 8.670 5.823 146 HG13 VAL 17 HG13 VAL 17 0.938 10.182 5.896 147 HG21 VAL 17 HG21 VAL 17 -1.136 10.457 4.652 148 HG22 VAL 17 HG22 VAL 17 -1.821 9.126 3.721 149 HG23 VAL 17 HG23 VAL 17 -0.422 10.006 3.103 150 H ILE 18 HN ILE 18 2.697 6.572 3.167 151 HA ILE 18 HA ILE 18 2.624 4.489 5.203 152 HB ILE 18 HB ILE 18 4.385 4.871 2.767 153 HG12 ILE 18 HG12 ILE 18 2.139 4.033 2.308 154 HG13 ILE 18 HG11 ILE 18 3.339 2.775 2.031 155 HG21 ILE 18 HG21 ILE 18 4.540 2.710 4.874 156 HG22 ILE 18 HG22 ILE 18 5.748 3.958 4.565 157 HG23 ILE 18 HG23 ILE 18 5.427 2.721 3.348 158 HD11 ILE 18 HD11 ILE 18 2.780 1.778 4.189 159 HD12 ILE 18 HD12 ILE 18 1.375 1.885 3.129 160 HD13 ILE 18 HD13 ILE 18 1.573 3.037 4.449 161 HA PRO 19 HA PRO 19 5.089 7.196 7.836 162 HB2 PRO 19 HB2 PRO 19 5.212 4.483 9.069 163 HB3 PRO 19 HB1 PRO 19 5.065 6.068 9.848 164 HG2 PRO 19 HG2 PRO 19 2.906 4.579 9.555 165 HG3 PRO 19 HG1 PRO 19 2.829 6.314 9.174 166 HD2 PRO 19 HD2 PRO 19 2.971 3.974 7.317 167 HD3 PRO 19 HD1 PRO 19 2.082 5.504 7.142 168 H LYS 20 HN LYS 20 7.256 7.435 8.093 169 HA LYS 20 HA LYS 20 8.963 6.089 6.298 170 HB2 LYS 20 HB2 LYS 20 10.810 7.266 7.654 171 HB3 LYS 20 HB1 LYS 20 9.685 8.239 6.724 172 HG2 LYS 20 HG2 LYS 20 9.245 7.695 9.639 173 HG3 LYS 20 HG1 LYS 20 10.284 9.007 9.085 174 HD2 LYS 20 HD2 LYS 20 7.458 8.695 8.106 175 HD3 LYS 20 HD1 LYS 20 7.828 9.547 9.604 176 HE2 LYS 20 HE2 LYS 20 7.641 11.157 7.821 177 HE3 LYS 20 HE1 LYS 20 9.321 11.068 8.338 178 HZ1 LYS 20 HZ1 LYS 20 9.688 9.546 6.405 179 HZ2 LYS 20 HZ2 LYS 20 9.306 11.136 5.991 180 HZ3 LYS 20 HZ3 LYS 20 8.127 9.928 5.866 181 H GLU 21 HN GLU 21 7.867 5.209 9.382 182 HA GLU 21 HA GLU 21 10.082 3.767 10.330 183 HB2 GLU 21 HB2 GLU 21 8.490 2.584 11.757 184 HB3 GLU 21 HB1 GLU 21 8.204 4.318 11.758 185 HG2 GLU 21 HG2 GLU 21 6.413 3.908 10.046 186 HG3 GLU 21 HG1 GLU 21 6.615 2.189 10.369 187 H ILE 22 HN ILE 22 7.976 3.042 7.683 188 HA ILE 22 HA ILE 22 8.511 0.178 7.888 189 HB ILE 22 HB ILE 22 6.891 1.665 5.806 190 HG12 ILE 22 HG12 ILE 22 5.108 0.117 7.115 191 HG13 ILE 22 HG11 ILE 22 6.242 0.444 8.421 192 HG21 ILE 22 HG21 ILE 22 6.103 -0.568 5.142 193 HG22 ILE 22 HG22 ILE 22 7.223 -1.296 6.294 194 HG23 ILE 22 HG23 ILE 22 7.842 -0.389 4.914 195 HD11 ILE 22 HD11 ILE 22 4.395 2.022 8.395 196 HD12 ILE 22 HD12 ILE 22 4.857 2.531 6.770 197 HD13 ILE 22 HD13 ILE 22 5.947 2.816 8.128 198 H ARG 23 HN ARG 23 8.966 2.923 5.735 199 HA ARG 23 HA ARG 23 10.832 1.772 3.980 200 HB2 ARG 23 HB2 ARG 23 10.201 3.726 3.059 201 HB3 ARG 23 HB1 ARG 23 9.760 4.411 4.609 202 HG2 ARG 23 HG2 ARG 23 12.618 4.262 3.729 203 HG3 ARG 23 HG1 ARG 23 11.560 5.575 3.220 204 HD2 ARG 23 HD2 ARG 23 11.159 5.354 5.962 205 HD3 ARG 23 HD1 ARG 23 12.889 5.139 5.738 206 HE ARG 23 HE ARG 23 11.681 7.436 4.408 207 HH11 ARG 23 HH11 ARG 23 13.492 6.191 7.151 208 HH12 ARG 23 HH12 ARG 23 14.027 7.756 7.661 209 HH21 ARG 23 HH21 ARG 23 12.389 9.483 5.071 210 HH22 ARG 23 HH22 ARG 23 13.433 9.633 6.463 211 H ARG 24 HN ARG 24 11.077 3.128 7.140 212 HA ARG 24 HA ARG 24 13.819 3.218 7.459 213 HB2 ARG 24 HB2 ARG 24 12.327 4.178 9.077 214 HB3 ARG 24 HB1 ARG 24 11.655 2.601 9.464 215 HG2 ARG 24 HG2 ARG 24 13.818 1.905 10.345 216 HG3 ARG 24 HG1 ARG 24 14.477 3.498 9.970 217 HD2 ARG 24 HD2 ARG 24 12.750 4.491 11.462 218 HD3 ARG 24 HD1 ARG 24 12.268 2.857 11.918 219 HE ARG 24 HE ARG 24 15.056 3.227 12.301 220 HH11 ARG 24 HH11 ARG 24 11.951 4.044 13.706 221 HH12 ARG 24 HH12 ARG 24 12.572 4.149 15.325 222 HH21 ARG 24 HH21 ARG 24 15.879 3.365 14.416 223 HH22 ARG 24 HH22 ARG 24 14.813 3.790 15.729 224 H THR 25 HN THR 25 11.581 0.486 8.365 225 HA THR 25 HA THR 25 13.599 -1.361 8.832 226 HB THR 25 HB THR 25 10.845 -1.870 7.685 227 HG1 THR 25 HG1 THR 25 10.382 -0.840 9.530 228 HG21 THR 25 HG21 THR 25 11.018 -4.026 8.843 229 HG22 THR 25 HG22 THR 25 12.653 -3.617 9.366 230 HG23 THR 25 HG23 THR 25 12.306 -3.842 7.651 231 H LEU 26 HN LEU 26 12.119 -0.248 5.861 232 HA LEU 26 HA LEU 26 13.261 -2.105 4.071 233 HB2 LEU 26 HB2 LEU 26 11.988 0.559 3.913 234 HB3 LEU 26 HB1 LEU 26 13.086 0.184 2.592 235 HG LEU 26 HG LEU 26 10.820 -0.369 1.960 236 HD11 LEU 26 HD11 LEU 26 12.650 -1.787 1.150 237 HD12 LEU 26 HD12 LEU 26 11.129 -2.667 1.293 238 HD13 LEU 26 HD13 LEU 26 12.386 -2.878 2.511 239 HD21 LEU 26 HD21 LEU 26 9.867 -0.735 4.177 240 HD22 LEU 26 HD22 LEU 26 10.794 -2.228 4.334 241 HD23 LEU 26 HD23 LEU 26 9.534 -2.096 3.105 242 H ARG 27 HN ARG 27 14.608 0.474 5.877 243 HA ARG 27 HA ARG 27 16.685 1.339 6.100 244 HB2 ARG 27 HB2 ARG 27 17.182 -1.180 4.770 245 HB3 ARG 27 HB1 ARG 27 18.339 0.046 4.276 246 HG2 ARG 27 HG2 ARG 27 19.099 -1.287 6.203 247 HG3 ARG 27 HG1 ARG 27 18.982 0.438 6.557 248 HD2 ARG 27 HD2 ARG 27 16.727 0.003 7.542 249 HD3 ARG 27 HD1 ARG 27 17.027 -1.721 7.332 250 HE ARG 27 HE ARG 27 19.151 -1.067 8.750 251 HH11 ARG 27 HH11 ARG 27 15.824 -0.030 9.161 252 HH12 ARG 27 HH12 ARG 27 15.965 0.159 10.879 253 HH21 ARG 27 HH21 ARG 27 19.348 -0.778 10.999 254 HH22 ARG 27 HH22 ARG 27 17.971 -0.255 11.932 255 H ILE 28 HN ILE 28 14.744 2.083 4.010 256 HA ILE 28 HA ILE 28 16.563 3.479 2.162 257 HB ILE 28 HB ILE 28 13.683 2.857 1.520 258 HG12 ILE 28 HG12 ILE 28 16.102 1.097 1.000 259 HG13 ILE 28 HG11 ILE 28 14.809 0.740 2.135 260 HG21 ILE 28 HG21 ILE 28 14.707 2.836 -0.823 261 HG22 ILE 28 HG22 ILE 28 16.158 3.513 -0.083 262 HG23 ILE 28 HG23 ILE 28 14.636 4.396 -0.017 263 HD11 ILE 28 HD11 ILE 28 13.234 0.554 0.309 264 HD12 ILE 28 HD12 ILE 28 14.605 -0.531 0.071 265 HD13 ILE 28 HD13 ILE 28 14.501 0.973 -0.846 266 H ARG 29 HN ARG 29 14.632 5.302 1.167 267 HA ARG 29 HA ARG 29 13.654 6.770 3.460 268 HB2 ARG 29 HB2 ARG 29 14.964 8.832 2.611 269 HB3 ARG 29 HB1 ARG 29 15.810 7.640 3.589 270 HG2 ARG 29 HG2 ARG 29 17.185 8.344 1.726 271 HG3 ARG 29 HG1 ARG 29 16.746 6.644 1.559 272 HD2 ARG 29 HD2 ARG 29 14.943 7.285 0.013 273 HD3 ARG 29 HD1 ARG 29 15.454 8.968 0.147 274 HE ARG 29 HE ARG 29 17.381 6.969 -0.815 275 HH11 ARG 29 HH11 ARG 29 15.384 9.785 -1.366 276 HH12 ARG 29 HH12 ARG 29 16.100 10.165 -2.903 277 HH21 ARG 29 HH21 ARG 29 18.390 7.506 -2.815 278 HH22 ARG 29 HH22 ARG 29 17.847 8.897 -3.697 279 H GLU 30 HN GLU 30 13.611 9.270 1.982 280 HA GLU 30 HA GLU 30 11.109 8.841 0.681 281 HB2 GLU 30 HB2 GLU 30 12.759 11.188 1.441 282 HB3 GLU 30 HB1 GLU 30 11.523 11.411 0.206 283 HG2 GLU 30 HG2 GLU 30 10.502 11.931 2.250 284 HG3 GLU 30 HG1 GLU 30 9.898 10.351 1.770 285 H GLY 31 HN GLY 31 12.999 7.444 -0.613 286 HA2 GLY 31 HA2 GLY 31 12.407 8.272 -3.306 287 HA3 GLY 31 HA1 GLY 31 14.143 8.209 -2.938 288 H ASP 32 HN ASP 32 11.866 6.165 -1.338 289 HA ASP 32 HA ASP 32 12.993 3.775 -2.557 290 HB2 ASP 32 HB2 ASP 32 12.677 3.670 -0.163 291 HB3 ASP 32 HB1 ASP 32 11.010 4.215 -0.317 292 HA PRO 33 HA PRO 33 9.450 3.569 -5.224 293 HB2 PRO 33 HB2 PRO 33 10.439 1.251 -6.460 294 HB3 PRO 33 HB1 PRO 33 10.599 2.909 -7.045 295 HG2 PRO 33 HG2 PRO 33 12.694 1.271 -6.146 296 HG3 PRO 33 HG1 PRO 33 12.769 3.021 -6.409 297 HD2 PRO 33 HD2 PRO 33 12.446 1.496 -3.867 298 HD3 PRO 33 HD1 PRO 33 13.230 3.069 -4.162 299 H LEU 34 HN LEU 34 7.609 2.324 -5.243 300 HA LEU 34 HA LEU 34 7.828 -0.341 -4.132 301 HB2 LEU 34 HB2 LEU 34 5.447 1.327 -3.404 302 HB3 LEU 34 HB1 LEU 34 6.051 -0.136 -2.635 303 HG LEU 34 HG LEU 34 8.102 1.665 -2.258 304 HD11 LEU 34 HD11 LEU 34 6.716 3.497 -3.045 305 HD12 LEU 34 HD12 LEU 34 7.060 3.660 -1.324 306 HD13 LEU 34 HD13 LEU 34 5.480 3.086 -1.855 307 HD21 LEU 34 HD21 LEU 34 7.282 0.041 -0.640 308 HD22 LEU 34 HD22 LEU 34 5.805 0.983 -0.424 309 HD23 LEU 34 HD23 LEU 34 7.360 1.648 0.081 310 H GLU 35 HN GLU 35 6.109 -1.641 -4.710 311 HA GLU 35 HA GLU 35 4.963 -0.873 -7.315 312 HB2 GLU 35 HB2 GLU 35 6.568 -2.688 -7.622 313 HB3 GLU 35 HB1 GLU 35 5.728 -3.646 -6.412 314 HG2 GLU 35 HG2 GLU 35 3.779 -3.819 -7.805 315 HG3 GLU 35 HG1 GLU 35 4.493 -2.731 -8.997 316 H ILE 36 HN ILE 36 2.912 -0.499 -7.210 317 HA ILE 36 HA ILE 36 1.349 -1.497 -4.993 318 HB ILE 36 HB ILE 36 0.788 0.434 -7.256 319 HG12 ILE 36 HG12 ILE 36 0.381 1.979 -5.229 320 HG13 ILE 36 HG11 ILE 36 1.213 0.743 -4.297 321 HG21 ILE 36 HG21 ILE 36 -1.396 0.875 -6.248 322 HG22 ILE 36 HG22 ILE 36 -1.120 -0.427 -5.092 323 HG23 ILE 36 HG23 ILE 36 -1.257 -0.791 -6.812 324 HD11 ILE 36 HD11 ILE 36 2.805 2.394 -4.829 325 HD12 ILE 36 HD12 ILE 36 2.315 2.439 -6.521 326 HD13 ILE 36 HD13 ILE 36 3.149 1.019 -5.879 327 H PHE 37 HN PHE 37 0.618 -3.505 -5.218 328 HA PHE 37 HA PHE 37 -1.099 -4.038 -7.484 329 HB2 PHE 37 HB2 PHE 37 0.056 -5.733 -8.472 330 HB3 PHE 37 HB1 PHE 37 1.440 -4.921 -7.757 331 HD1 PHE 37 HD1 PHE 37 -0.764 -7.835 -7.557 332 HD2 PHE 37 HD2 PHE 37 2.625 -5.873 -5.895 333 HE1 PHE 37 HE1 PHE 37 -0.160 -9.899 -6.367 334 HE2 PHE 37 HE2 PHE 37 3.234 -7.934 -4.703 335 HZ PHE 37 HZ PHE 37 1.841 -9.950 -4.936 336 H VAL 38 HN VAL 38 -2.910 -4.935 -6.774 337 HA VAL 38 HA VAL 38 -3.064 -5.748 -4.005 338 HB VAL 38 HB VAL 38 -4.947 -4.521 -4.644 339 HG11 VAL 38 HG11 VAL 38 -6.300 -4.985 -6.657 340 HG12 VAL 38 HG12 VAL 38 -5.138 -6.230 -7.119 341 HG13 VAL 38 HG13 VAL 38 -4.636 -4.540 -7.043 342 HG21 VAL 38 HG21 VAL 38 -5.807 -7.404 -4.907 343 HG22 VAL 38 HG22 VAL 38 -6.867 -6.044 -4.537 344 HG23 VAL 38 HG23 VAL 38 -5.608 -6.518 -3.394 345 H ASP 39 HN ASP 39 -3.447 -7.689 -3.209 346 HA ASP 39 HA ASP 39 -2.415 -9.867 -4.828 347 HB2 ASP 39 HB2 ASP 39 -1.526 -9.293 -2.547 348 HB3 ASP 39 HB1 ASP 39 -3.064 -9.831 -1.873 349 H ARG 40 HN ARG 40 -5.038 -9.512 -2.479 350 HA ARG 40 HA ARG 40 -6.176 -12.022 -3.471 351 HB2 ARG 40 HB2 ARG 40 -7.260 -11.335 -0.949 352 HB3 ARG 40 HB1 ARG 40 -6.128 -12.629 -1.319 353 HG2 ARG 40 HG2 ARG 40 -4.721 -10.163 -1.254 354 HG3 ARG 40 HG1 ARG 40 -5.678 -10.315 0.213 355 HD2 ARG 40 HD2 ARG 40 -4.174 -12.704 -0.656 356 HD3 ARG 40 HD1 ARG 40 -3.230 -11.350 -0.038 357 HE ARG 40 HE ARG 40 -4.720 -11.491 1.973 358 HH11 ARG 40 HH11 ARG 40 -4.219 -14.301 -0.066 359 HH12 ARG 40 HH12 ARG 40 -4.343 -15.432 1.249 360 HH21 ARG 40 HH21 ARG 40 -4.880 -12.944 3.695 361 HH22 ARG 40 HH22 ARG 40 -4.754 -14.655 3.402 362 H ASP 41 HN ASP 41 -7.699 -9.604 -1.429 363 HA ASP 41 HA ASP 41 -9.879 -9.440 -3.395 364 HB2 ASP 41 HB2 ASP 41 -10.524 -10.492 -1.272 365 HB3 ASP 41 HB1 ASP 41 -9.986 -9.062 -0.396 366 H GLY 42 HN GLY 42 -8.943 -7.458 -0.621 367 HA2 GLY 42 HA2 GLY 42 -8.770 -5.142 -2.440 368 HA3 GLY 42 HA1 GLY 42 -9.645 -5.048 -0.917 369 H GLU 43 HN GLU 43 -6.771 -6.931 -1.096 370 HA GLU 43 HA GLU 43 -5.414 -5.001 0.633 371 HB2 GLU 43 HB2 GLU 43 -4.261 -7.697 0.019 372 HB3 GLU 43 HB1 GLU 43 -4.182 -6.764 1.509 373 HG2 GLU 43 HG2 GLU 43 -6.763 -7.230 1.559 374 HG3 GLU 43 HG1 GLU 43 -6.316 -8.570 0.505 375 H VAL 44 HN VAL 44 -4.169 -3.600 -0.396 376 HA VAL 44 HA VAL 44 -2.976 -4.285 -2.963 377 HB VAL 44 HB VAL 44 -2.394 -1.697 -1.613 378 HG11 VAL 44 HG11 VAL 44 -1.389 -2.208 -3.757 379 HG12 VAL 44 HG12 VAL 44 -2.522 -0.866 -3.915 380 HG13 VAL 44 HG13 VAL 44 -2.981 -2.479 -4.466 381 HG21 VAL 44 HG21 VAL 44 -5.040 -2.301 -2.946 382 HG22 VAL 44 HG22 VAL 44 -4.497 -0.715 -2.402 383 HG23 VAL 44 HG23 VAL 44 -4.802 -1.995 -1.228 384 H ILE 45 HN ILE 45 -0.873 -4.630 -3.264 385 HA ILE 45 HA ILE 45 0.800 -4.788 -0.836 386 HB ILE 45 HB ILE 45 0.717 -6.497 -3.320 387 HG12 ILE 45 HG12 ILE 45 0.482 -8.342 -1.700 388 HG13 ILE 45 HG11 ILE 45 0.558 -7.189 -0.374 389 HG21 ILE 45 HG21 ILE 45 3.037 -6.029 -2.946 390 HG22 ILE 45 HG22 ILE 45 2.701 -7.680 -2.417 391 HG23 ILE 45 HG23 ILE 45 2.876 -6.390 -1.226 392 HD11 ILE 45 HD11 ILE 45 -1.531 -6.218 -1.115 393 HD12 ILE 45 HD12 ILE 45 -1.690 -7.943 -0.779 394 HD13 ILE 45 HD13 ILE 45 -1.599 -7.375 -2.449 395 H LEU 46 HN LEU 46 2.304 -3.270 -0.850 396 HA LEU 46 HA LEU 46 3.339 -2.199 -3.398 397 HB2 LEU 46 HB2 LEU 46 3.930 -0.835 -0.829 398 HB3 LEU 46 HB1 LEU 46 3.504 -0.150 -2.387 399 HG LEU 46 HG LEU 46 1.478 -1.553 -0.674 400 HD11 LEU 46 HD11 LEU 46 2.444 0.235 0.664 401 HD12 LEU 46 HD12 LEU 46 0.813 0.663 0.143 402 HD13 LEU 46 HD13 LEU 46 2.211 1.372 -0.664 403 HD21 LEU 46 HD21 LEU 46 -0.098 -0.220 -1.969 404 HD22 LEU 46 HD22 LEU 46 0.914 -1.206 -3.026 405 HD23 LEU 46 HD23 LEU 46 1.240 0.518 -2.851 406 H LYS 47 HN LYS 47 5.368 -3.036 -3.920 407 HA LYS 47 HA LYS 47 7.167 -3.402 -1.600 408 HB2 LYS 47 HB2 LYS 47 7.792 -5.490 -2.123 409 HB3 LYS 47 HB1 LYS 47 6.204 -5.525 -2.853 410 HG2 LYS 47 HG2 LYS 47 8.709 -4.905 -4.385 411 HG3 LYS 47 HG1 LYS 47 8.065 -6.532 -4.195 412 HD2 LYS 47 HD2 LYS 47 6.742 -4.190 -5.558 413 HD3 LYS 47 HD1 LYS 47 7.385 -5.654 -6.316 414 HE2 LYS 47 HE2 LYS 47 5.489 -6.399 -4.299 415 HE3 LYS 47 HE1 LYS 47 4.766 -5.178 -5.346 416 HZ1 LYS 47 HZ1 LYS 47 6.092 -7.656 -6.303 417 HZ2 LYS 47 HZ2 LYS 47 5.252 -6.525 -7.259 418 HZ3 LYS 47 HZ3 LYS 47 4.420 -7.469 -6.122 419 H LYS 48 HN LYS 48 9.380 -3.316 -1.955 420 HA LYS 48 HA LYS 48 10.164 -0.862 -2.660 421 HB2 LYS 48 HB2 LYS 48 12.521 -1.992 -2.806 422 HB3 LYS 48 HB1 LYS 48 11.603 -1.940 -1.295 423 HG2 LYS 48 HG2 LYS 48 10.660 -4.225 -2.467 424 HG3 LYS 48 HG1 LYS 48 12.353 -4.217 -2.968 425 HD2 LYS 48 HD2 LYS 48 11.403 -3.898 -0.129 426 HD3 LYS 48 HD1 LYS 48 11.944 -5.428 -0.833 427 HE2 LYS 48 HE2 LYS 48 14.101 -4.153 -1.411 428 HE3 LYS 48 HE1 LYS 48 13.531 -2.941 -0.263 429 HZ1 LYS 48 HZ1 LYS 48 15.021 -4.540 0.784 430 HZ2 LYS 48 HZ2 LYS 48 13.994 -5.816 0.354 431 HZ3 LYS 48 HZ3 LYS 48 13.469 -4.643 1.459 432 H TYR 49 HN TYR 49 9.817 -3.330 -5.055 433 HA TYR 49 HA TYR 49 9.844 -3.153 -7.325 434 HB2 TYR 49 HB2 TYR 49 9.098 -0.865 -7.223 435 HB3 TYR 49 HB1 TYR 49 10.708 -0.334 -6.754 436 HD1 TYR 49 HD2 TYR 49 9.585 -2.605 -9.503 437 HD2 TYR 49 HD1 TYR 49 11.556 1.015 -8.434 438 HE1 TYR 49 HE2 TYR 49 10.212 -2.259 -11.854 439 HE2 TYR 49 HE1 TYR 49 12.193 1.364 -10.781 440 HH TYR 49 HH TYR 49 10.869 -0.518 -13.349 441 H SER 50 HN SER 50 12.655 -1.436 -5.946 442 HA SER 50 HA SER 50 14.400 -1.752 -8.047 443 HB2 SER 50 HB2 SER 50 14.806 -0.336 -6.029 444 HB3 SER 50 HB1 SER 50 15.196 -1.799 -5.126 445 HG SER 50 HG SER 50 16.732 -2.059 -7.099 446 HA PRO 51 HA PRO 51 15.517 -6.142 -6.742 447 HB2 PRO 51 HB2 PRO 51 14.770 -7.160 -4.402 448 HB3 PRO 51 HB1 PRO 51 16.168 -6.089 -4.523 449 HG2 PRO 51 HG2 PRO 51 13.488 -5.588 -3.388 450 HG3 PRO 51 HG1 PRO 51 15.028 -4.787 -3.029 451 HD2 PRO 51 HD2 PRO 51 12.915 -3.912 -4.744 452 HD3 PRO 51 HD1 PRO 51 14.447 -3.091 -4.401 453 H ILE 52 HN ILE 52 12.615 -4.931 -7.081 454 HA ILE 52 HA ILE 52 10.444 -5.591 -7.356 455 HB ILE 52 HB ILE 52 11.323 -8.366 -8.021 456 HG12 ILE 52 HG12 ILE 52 12.102 -5.917 -9.619 457 HG13 ILE 52 HG11 ILE 52 13.203 -7.043 -8.815 458 HG21 ILE 52 HG21 ILE 52 9.779 -8.070 -9.869 459 HG22 ILE 52 HG22 ILE 52 9.640 -6.348 -9.520 460 HG23 ILE 52 HG23 ILE 52 8.990 -7.528 -8.389 461 HD11 ILE 52 HD11 ILE 52 13.115 -7.429 -11.217 462 HD12 ILE 52 HD12 ILE 52 11.376 -7.699 -11.123 463 HD13 ILE 52 HD13 ILE 52 12.485 -8.816 -10.328 464 H SER 53 HN SER 53 9.763 -8.567 -6.980 465 HA SER 53 HA SER 53 9.569 -8.409 -4.082 466 HB2 SER 53 HB2 SER 53 8.036 -10.063 -6.087 467 HB3 SER 53 HB1 SER 53 7.791 -10.148 -4.341 468 HG SER 53 HG SER 53 6.829 -8.256 -4.360 469 H GLU 54 HN GLU 54 11.651 -9.444 -6.094 470 HA GLU 54 HA GLU 54 12.956 -11.404 -4.677 471 HB2 GLU 54 HB2 GLU 54 11.013 -12.857 -5.081 472 HB3 GLU 54 HB1 GLU 54 11.156 -12.582 -6.813 473 HG2 GLU 54 HG2 GLU 54 13.408 -13.628 -6.727 474 HG3 GLU 54 HG1 GLU 54 13.106 -14.027 -5.037 475 H LEU 55 HN LEU 55 14.907 -10.841 -5.426 476 HA LEU 55 HA LEU 55 15.237 -10.544 -8.334 477 HB2 LEU 55 HB2 LEU 55 15.760 -8.687 -6.423 478 HB3 LEU 55 HB1 LEU 55 17.323 -9.473 -6.539 479 HG LEU 55 HG LEU 55 17.122 -7.458 -7.970 480 HD11 LEU 55 HD11 LEU 55 17.468 -10.058 -9.455 481 HD12 LEU 55 HD12 LEU 55 18.719 -9.184 -8.571 482 HD13 LEU 55 HD13 LEU 55 18.005 -8.477 -10.019 483 HD21 LEU 55 HD21 LEU 55 15.160 -9.097 -9.564 484 HD22 LEU 55 HD22 LEU 55 15.706 -7.453 -9.902 485 HD23 LEU 55 HD23 LEU 55 14.703 -7.778 -8.485 486 H1 MET 1 HT1 MET 1 -7.613 -13.999 -9.296 487 H2 MET 1 HT2 MET 1 -7.926 -12.333 -9.250 488 H3 MET 1 HT3 MET 1 -7.026 -13.058 -8.012 489 HA MET 1 HA MET 1 -5.242 -13.561 -9.513 490 HB2 MET 1 HB2 MET 1 -6.942 -12.128 -11.572 491 HB3 MET 1 HB1 MET 1 -5.280 -12.639 -11.811 492 HG2 MET 1 HG2 MET 1 -7.592 -14.486 -11.277 493 HG3 MET 1 HG1 MET 1 -6.921 -14.128 -12.866 494 HE1 MET 1 HE1 MET 1 -6.673 -16.721 -13.275 495 HE2 MET 1 HE2 MET 1 -7.295 -17.068 -11.660 496 HE3 MET 1 HE3 MET 1 -5.789 -17.810 -12.204 497 H LYS 2 HN LYS 2 -6.856 -10.574 -10.512 498 HA LYS 2 HA LYS 2 -6.258 -8.412 -10.365 499 HB2 LYS 2 HB2 LYS 2 -5.644 -9.358 -7.592 500 HB3 LYS 2 HB1 LYS 2 -5.446 -7.673 -8.058 501 HG2 LYS 2 HG2 LYS 2 -7.977 -9.294 -8.034 502 HG3 LYS 2 HG1 LYS 2 -7.588 -7.869 -7.067 503 HD2 LYS 2 HD2 LYS 2 -7.927 -7.912 -10.073 504 HD3 LYS 2 HD1 LYS 2 -9.129 -7.345 -8.916 505 HE2 LYS 2 HE2 LYS 2 -7.854 -5.479 -8.323 506 HE3 LYS 2 HE1 LYS 2 -6.371 -6.171 -8.981 507 HZ1 LYS 2 HZ1 LYS 2 -8.700 -5.301 -10.619 508 HZ2 LYS 2 HZ2 LYS 2 -7.205 -5.860 -11.199 509 HZ3 LYS 2 HZ3 LYS 2 -7.297 -4.391 -10.373 510 H ALA 3 HN ALA 3 -3.901 -7.932 -8.289 511 HA ALA 3 HA ALA 3 -1.757 -7.221 -8.510 512 HB1 ALA 3 HB1 ALA 3 -1.577 -9.162 -10.816 513 HB2 ALA 3 HB2 ALA 3 -1.222 -9.536 -9.131 514 HB3 ALA 3 HB3 ALA 3 -0.221 -8.378 -10.006 515 H THR 4 HN THR 4 -1.192 -5.299 -9.235 516 HA THR 4 HA THR 4 -2.130 -4.488 -11.888 517 HB THR 4 HB THR 4 -2.041 -2.137 -10.905 518 HG1 THR 4 HG1 THR 4 -1.120 -2.307 -8.940 519 HG21 THR 4 HG21 THR 4 -4.099 -4.041 -9.784 520 HG22 THR 4 HG22 THR 4 -4.128 -3.382 -11.421 521 HG23 THR 4 HG23 THR 4 -4.294 -2.307 -10.033 522 H GLY 5 HN GLY 5 0.406 -3.870 -9.502 523 HA2 GLY 5 HA2 GLY 5 2.688 -3.840 -9.810 524 HA3 GLY 5 HA1 GLY 5 2.427 -4.297 -11.480 525 H ILE 6 HN ILE 6 1.426 -1.451 -9.616 526 HA ILE 6 HA ILE 6 2.832 0.214 -11.593 527 HB ILE 6 HB ILE 6 0.634 0.968 -11.650 528 HG12 ILE 6 HG12 ILE 6 0.559 3.153 -10.479 529 HG13 ILE 6 HG11 ILE 6 1.957 2.670 -9.526 530 HG21 ILE 6 HG21 ILE 6 -0.245 -0.366 -9.831 531 HG22 ILE 6 HG22 ILE 6 -0.812 1.299 -9.709 532 HG23 ILE 6 HG23 ILE 6 0.480 0.728 -8.652 533 HD11 ILE 6 HD11 ILE 6 3.283 2.527 -11.586 534 HD12 ILE 6 HD12 ILE 6 2.630 4.140 -11.307 535 HD13 ILE 6 HD13 ILE 6 1.884 3.081 -12.506 536 H VAL 7 HN VAL 7 4.779 0.738 -10.913 537 HA VAL 7 HA VAL 7 5.399 0.806 -8.098 538 HB VAL 7 HB VAL 7 7.083 1.210 -10.552 539 HG11 VAL 7 HG11 VAL 7 8.032 1.376 -7.694 540 HG12 VAL 7 HG12 VAL 7 7.809 2.773 -8.746 541 HG13 VAL 7 HG13 VAL 7 9.013 1.544 -9.150 542 HG21 VAL 7 HG21 VAL 7 7.187 -0.834 -8.332 543 HG22 VAL 7 HG22 VAL 7 8.154 -0.829 -9.806 544 HG23 VAL 7 HG23 VAL 7 6.409 -1.081 -9.897 545 H ARG 8 HN ARG 8 5.759 2.509 -6.809 546 HA ARG 8 HA ARG 8 5.428 5.198 -7.881 547 HB2 ARG 8 HB2 ARG 8 3.318 4.946 -6.935 548 HB3 ARG 8 HB1 ARG 8 3.854 3.676 -5.863 549 HG2 ARG 8 HG2 ARG 8 3.108 5.699 -4.676 550 HG3 ARG 8 HG1 ARG 8 4.774 5.255 -4.306 551 HD2 ARG 8 HD2 ARG 8 4.561 7.639 -4.578 552 HD3 ARG 8 HD1 ARG 8 5.574 6.949 -5.850 553 HE ARG 8 HE ARG 8 2.954 7.117 -6.818 554 HH11 ARG 8 HH11 ARG 8 5.525 9.241 -5.775 555 HH12 ARG 8 HH12 ARG 8 5.136 10.498 -6.914 556 HH21 ARG 8 HH21 ARG 8 2.399 8.764 -8.305 557 HH22 ARG 8 HH22 ARG 8 3.333 10.231 -8.345 558 H ARG 9 HN ARG 9 7.266 6.292 -7.302 559 HA ARG 9 HA ARG 9 8.882 5.359 -5.065 560 HB2 ARG 9 HB2 ARG 9 9.824 6.315 -7.226 561 HB3 ARG 9 HB1 ARG 9 9.239 7.883 -6.672 562 HG2 ARG 9 HG2 ARG 9 10.814 8.061 -5.056 563 HG3 ARG 9 HG1 ARG 9 11.030 6.308 -4.908 564 HD2 ARG 9 HD2 ARG 9 12.205 6.203 -6.972 565 HD3 ARG 9 HD1 ARG 9 11.753 7.850 -7.392 566 HE ARG 9 HE ARG 9 13.219 8.408 -5.337 567 HH11 ARG 9 HH11 ARG 9 13.765 5.856 -7.671 568 HH12 ARG 9 HH12 ARG 9 15.495 5.878 -7.502 569 HH21 ARG 9 HH21 ARG 9 15.509 8.476 -5.126 570 HH22 ARG 9 HH22 ARG 9 16.487 7.365 -6.039 571 H ILE 10 HN ILE 10 8.056 5.739 -3.179 572 HA ILE 10 HA ILE 10 6.106 6.866 -2.064 573 HB ILE 10 HB ILE 10 7.709 8.000 -0.260 574 HG12 ILE 10 HG12 ILE 10 9.919 7.028 -0.231 575 HG13 ILE 10 HG11 ILE 10 9.547 6.017 -1.623 576 HG21 ILE 10 HG21 ILE 10 8.015 5.618 0.601 577 HG22 ILE 10 HG22 ILE 10 7.169 5.123 -0.874 578 HG23 ILE 10 HG23 ILE 10 6.371 6.181 0.291 579 HD11 ILE 10 HD11 ILE 10 9.239 8.243 -2.871 580 HD12 ILE 10 HD12 ILE 10 10.869 7.666 -2.517 581 HD13 ILE 10 HD13 ILE 10 10.145 8.932 -1.520 582 H ASP 11 HN ASP 11 8.342 9.343 -1.268 583 HA ASP 11 HA ASP 11 8.088 11.326 -3.036 584 HB2 ASP 11 HB2 ASP 11 6.209 12.699 -2.516 585 HB3 ASP 11 HB1 ASP 11 5.586 11.082 -2.754 586 H ASP 12 HN ASP 12 7.354 13.487 -1.143 587 HA ASP 12 HA ASP 12 9.895 13.488 0.262 588 HB2 ASP 12 HB2 ASP 12 7.791 15.595 -0.207 589 HB3 ASP 12 HB1 ASP 12 9.149 15.859 0.883 590 H LEU 13 HN LEU 13 6.738 12.600 0.919 591 HA LEU 13 HA LEU 13 7.150 12.919 3.810 592 HB2 LEU 13 HB2 LEU 13 5.069 13.870 2.714 593 HB3 LEU 13 HB1 LEU 13 4.583 12.220 2.389 594 HG LEU 13 HG LEU 13 3.514 13.309 4.388 595 HD11 LEU 13 HD11 LEU 13 3.513 10.897 4.102 596 HD12 LEU 13 HD12 LEU 13 3.681 11.329 5.803 597 HD13 LEU 13 HD13 LEU 13 5.090 10.791 4.887 598 HD21 LEU 13 HD21 LEU 13 5.501 14.488 5.188 599 HD22 LEU 13 HD22 LEU 13 6.254 12.941 5.580 600 HD23 LEU 13 HD23 LEU 13 4.801 13.458 6.437 601 H GLY 14 HN GLY 14 5.810 10.592 1.442 602 HA2 GLY 14 HA2 GLY 14 7.024 8.356 1.592 603 HA3 GLY 14 HA1 GLY 14 6.582 8.432 3.296 604 H ARG 15 HN ARG 15 4.323 9.681 0.977 605 HA ARG 15 HA ARG 15 2.426 7.658 1.777 606 HB2 ARG 15 HB2 ARG 15 2.066 9.701 -0.408 607 HB3 ARG 15 HB1 ARG 15 0.810 8.786 0.410 608 HG2 ARG 15 HG2 ARG 15 0.547 10.549 1.712 609 HG3 ARG 15 HG1 ARG 15 2.100 10.124 2.446 610 HD2 ARG 15 HD2 ARG 15 3.275 11.633 1.166 611 HD3 ARG 15 HD1 ARG 15 2.031 11.685 -0.090 612 HE ARG 15 HE ARG 15 0.802 12.737 2.120 613 HH11 ARG 15 HH11 ARG 15 3.777 13.519 0.407 614 HH12 ARG 15 HH12 ARG 15 3.650 15.222 0.736 615 HH21 ARG 15 HH21 ARG 15 0.667 14.958 2.566 616 HH22 ARG 15 HH22 ARG 15 1.896 16.041 1.963 617 H VAL 16 HN VAL 16 1.420 6.183 0.413 618 HA VAL 16 HA VAL 16 2.754 5.770 -2.166 619 HB VAL 16 HB VAL 16 1.127 3.799 -0.544 620 HG11 VAL 16 HG11 VAL 16 2.513 3.460 -3.201 621 HG12 VAL 16 HG12 VAL 16 0.770 3.493 -2.935 622 HG13 VAL 16 HG13 VAL 16 1.738 2.174 -2.277 623 HG21 VAL 16 HG21 VAL 16 3.242 2.569 -0.360 624 HG22 VAL 16 HG22 VAL 16 3.356 4.175 0.363 625 HG23 VAL 16 HG23 VAL 16 4.066 3.869 -1.222 626 H VAL 17 HN VAL 17 1.702 7.047 -3.471 627 HA VAL 17 HA VAL 17 -0.976 7.852 -3.066 628 HB VAL 17 HB VAL 17 0.670 8.113 -5.588 629 HG11 VAL 17 HG11 VAL 17 -1.780 9.579 -4.625 630 HG12 VAL 17 HG12 VAL 17 -1.665 8.492 -6.014 631 HG13 VAL 17 HG13 VAL 17 -0.815 10.040 -6.030 632 HG21 VAL 17 HG21 VAL 17 0.415 9.986 -3.228 633 HG22 VAL 17 HG22 VAL 17 1.231 10.361 -4.748 634 HG23 VAL 17 HG23 VAL 17 1.856 9.084 -3.704 635 H ILE 18 HN ILE 18 -2.558 6.417 -3.199 636 HA ILE 18 HA ILE 18 -2.440 4.289 -5.172 637 HB ILE 18 HB ILE 18 -4.221 4.763 -2.779 638 HG12 ILE 18 HG12 ILE 18 -1.990 3.901 -2.307 639 HG13 ILE 18 HG11 ILE 18 -3.211 2.678 -1.977 640 HG21 ILE 18 HG21 ILE 18 -4.461 2.615 -4.880 641 HG22 ILE 18 HG22 ILE 18 -5.660 3.835 -4.448 642 HG23 ILE 18 HG23 ILE 18 -5.248 2.558 -3.303 643 HD11 ILE 18 HD11 ILE 18 -1.447 2.810 -4.409 644 HD12 ILE 18 HD12 ILE 18 -2.688 1.595 -4.105 645 HD13 ILE 18 HD13 ILE 18 -1.279 1.700 -3.049 646 HA PRO 19 HA PRO 19 -4.985 6.714 -8.037 647 HB2 PRO 19 HB2 PRO 19 -4.967 3.887 -9.019 648 HB3 PRO 19 HB1 PRO 19 -4.864 5.390 -9.947 649 HG2 PRO 19 HG2 PRO 19 -2.661 4.039 -9.500 650 HG3 PRO 19 HG1 PRO 19 -2.659 5.798 -9.245 651 HD2 PRO 19 HD2 PRO 19 -2.781 3.594 -7.225 652 HD3 PRO 19 HD1 PRO 19 -1.905 5.140 -7.154 653 H LYS 20 HN LYS 20 -7.103 6.937 -8.164 654 HA LYS 20 HA LYS 20 -8.813 5.693 -6.376 655 HB2 LYS 20 HB2 LYS 20 -10.664 6.710 -7.645 656 HB3 LYS 20 HB1 LYS 20 -9.381 7.851 -7.265 657 HG2 LYS 20 HG2 LYS 20 -9.540 6.451 -9.912 658 HG3 LYS 20 HG1 LYS 20 -10.383 7.968 -9.597 659 HD2 LYS 20 HD2 LYS 20 -7.452 7.661 -9.085 660 HD3 LYS 20 HD1 LYS 20 -8.055 8.039 -10.699 661 HE2 LYS 20 HE2 LYS 20 -7.449 10.090 -9.618 662 HE3 LYS 20 HE1 LYS 20 -9.204 10.026 -9.742 663 HZ1 LYS 20 HZ1 LYS 20 -7.685 9.298 -7.294 664 HZ2 LYS 20 HZ2 LYS 20 -9.368 9.475 -7.445 665 HZ3 LYS 20 HZ3 LYS 20 -8.359 10.827 -7.578 666 H GLU 21 HN GLU 21 -7.629 4.511 -9.338 667 HA GLU 21 HA GLU 21 -9.852 3.010 -10.197 668 HB2 GLU 21 HB2 GLU 21 -8.208 1.742 -11.547 669 HB3 GLU 21 HB1 GLU 21 -8.072 3.484 -11.728 670 HG2 GLU 21 HG2 GLU 21 -6.215 3.414 -10.055 671 HG3 GLU 21 HG1 GLU 21 -6.280 1.655 -10.170 672 H ILE 22 HN ILE 22 -7.763 2.508 -7.528 673 HA ILE 22 HA ILE 22 -8.195 -0.374 -7.531 674 HB ILE 22 HB ILE 22 -6.652 1.365 -5.588 675 HG12 ILE 22 HG12 ILE 22 -4.806 -0.271 -6.614 676 HG13 ILE 22 HG11 ILE 22 -5.930 -0.259 -7.967 677 HG21 ILE 22 HG21 ILE 22 -6.896 -1.639 -5.679 678 HG22 ILE 22 HG22 ILE 22 -7.637 -0.584 -4.476 679 HG23 ILE 22 HG23 ILE 22 -5.881 -0.710 -4.576 680 HD11 ILE 22 HD11 ILE 22 -4.176 1.389 -8.248 681 HD12 ILE 22 HD12 ILE 22 -4.657 2.168 -6.741 682 HD13 ILE 22 HD13 ILE 22 -5.761 2.153 -8.117 683 H ARG 23 HN ARG 23 -8.750 2.471 -5.495 684 HA ARG 23 HA ARG 23 -10.662 1.467 -3.731 685 HB2 ARG 23 HB2 ARG 23 -10.073 3.582 -3.118 686 HB3 ARG 23 HB1 ARG 23 -9.841 4.107 -4.776 687 HG2 ARG 23 HG2 ARG 23 -12.600 3.705 -3.707 688 HG3 ARG 23 HG1 ARG 23 -11.701 5.170 -3.323 689 HD2 ARG 23 HD2 ARG 23 -11.340 5.452 -5.803 690 HD3 ARG 23 HD1 ARG 23 -12.491 4.140 -6.024 691 HE ARG 23 HE ARG 23 -14.214 5.525 -5.210 692 HH11 ARG 23 HH11 ARG 23 -11.146 7.175 -5.474 693 HH12 ARG 23 HH12 ARG 23 -11.840 8.765 -5.403 694 HH21 ARG 23 HH21 ARG 23 -15.143 7.640 -5.151 695 HH22 ARG 23 HH22 ARG 23 -14.095 9.023 -5.228 696 H ARG 24 HN ARG 24 -10.864 2.542 -6.994 697 HA ARG 24 HA ARG 24 -13.579 2.526 -7.441 698 HB2 ARG 24 HB2 ARG 24 -12.064 3.438 -9.042 699 HB3 ARG 24 HB1 ARG 24 -11.236 1.902 -9.223 700 HG2 ARG 24 HG2 ARG 24 -13.223 0.952 -10.255 701 HG3 ARG 24 HG1 ARG 24 -14.040 2.519 -10.099 702 HD2 ARG 24 HD2 ARG 24 -12.070 3.500 -11.386 703 HD3 ARG 24 HD1 ARG 24 -11.626 1.834 -11.759 704 HE ARG 24 HE ARG 24 -14.220 1.957 -12.522 705 HH11 ARG 24 HH11 ARG 24 -11.425 3.966 -13.206 706 HH12 ARG 24 HH12 ARG 24 -11.964 4.397 -14.803 707 HH21 ARG 24 HH21 ARG 24 -14.934 2.529 -14.629 708 HH22 ARG 24 HH22 ARG 24 -13.958 3.585 -15.613 709 H THR 25 HN THR 25 -11.247 -0.194 -8.165 710 HA THR 25 HA THR 25 -13.212 -2.087 -8.612 711 HB THR 25 HB THR 25 -10.479 -2.497 -7.364 712 HG1 THR 25 HG1 THR 25 -11.287 -1.796 -9.901 713 HG21 THR 25 HG21 THR 25 -11.839 -4.495 -7.168 714 HG22 THR 25 HG22 THR 25 -10.603 -4.734 -8.404 715 HG23 THR 25 HG23 THR 25 -12.269 -4.400 -8.875 716 H LEU 26 HN LEU 26 -11.812 -0.863 -5.657 717 HA LEU 26 HA LEU 26 -12.825 -2.735 -3.817 718 HB2 LEU 26 HB2 LEU 26 -11.625 -0.058 -3.762 719 HB3 LEU 26 HB1 LEU 26 -12.740 -0.358 -2.438 720 HG LEU 26 HG LEU 26 -10.558 -0.882 -1.650 721 HD11 LEU 26 HD11 LEU 26 -10.741 -3.283 -1.138 722 HD12 LEU 26 HD12 LEU 26 -12.039 -3.413 -2.325 723 HD13 LEU 26 HD13 LEU 26 -12.252 -2.406 -0.894 724 HD21 LEU 26 HD21 LEU 26 -9.404 -1.143 -3.774 725 HD22 LEU 26 HD22 LEU 26 -10.242 -2.668 -4.064 726 HD23 LEU 26 HD23 LEU 26 -9.094 -2.532 -2.731 727 H ARG 27 HN ARG 27 -14.393 -0.263 -5.623 728 HA ARG 27 HA ARG 27 -16.548 0.473 -5.741 729 HB2 ARG 27 HB2 ARG 27 -16.777 -2.033 -4.307 730 HB3 ARG 27 HB1 ARG 27 -17.983 -0.882 -3.760 731 HG2 ARG 27 HG2 ARG 27 -18.900 -2.248 -5.506 732 HG3 ARG 27 HG1 ARG 27 -18.728 -0.593 -6.085 733 HD2 ARG 27 HD2 ARG 27 -16.855 -1.147 -7.407 734 HD3 ARG 27 HD1 ARG 27 -16.656 -2.704 -6.605 735 HE ARG 27 HE ARG 27 -19.079 -2.989 -7.669 736 HH11 ARG 27 HH11 ARG 27 -16.164 -1.699 -9.106 737 HH12 ARG 27 HH12 ARG 27 -16.514 -2.318 -10.691 738 HH21 ARG 27 HH21 ARG 27 -19.555 -3.797 -9.752 739 HH22 ARG 27 HH22 ARG 27 -18.453 -3.488 -11.068 740 H ILE 28 HN ILE 28 -14.561 1.560 -3.916 741 HA ILE 28 HA ILE 28 -16.317 2.716 -1.843 742 HB ILE 28 HB ILE 28 -13.348 2.329 -1.472 743 HG12 ILE 28 HG12 ILE 28 -15.585 0.416 -0.722 744 HG13 ILE 28 HG11 ILE 28 -14.403 0.143 -1.992 745 HG21 ILE 28 HG21 ILE 28 -13.963 2.439 0.903 746 HG22 ILE 28 HG22 ILE 28 -15.666 2.582 0.468 747 HG23 ILE 28 HG23 ILE 28 -14.536 3.871 0.049 748 HD11 ILE 28 HD11 ILE 28 -12.634 0.039 -0.357 749 HD12 ILE 28 HD12 ILE 28 -13.914 -1.110 0.041 750 HD13 ILE 28 HD13 ILE 28 -13.778 0.409 0.933 751 H ARG 29 HN ARG 29 -14.266 4.601 -0.980 752 HA ARG 29 HA ARG 29 -13.724 6.264 -3.263 753 HB2 ARG 29 HB2 ARG 29 -15.160 8.158 -2.309 754 HB3 ARG 29 HB1 ARG 29 -15.982 6.863 -3.168 755 HG2 ARG 29 HG2 ARG 29 -17.258 7.373 -1.224 756 HG3 ARG 29 HG1 ARG 29 -16.477 5.813 -0.956 757 HD2 ARG 29 HD2 ARG 29 -14.670 7.011 0.262 758 HD3 ARG 29 HD1 ARG 29 -15.626 8.487 0.125 759 HE ARG 29 HE ARG 29 -16.717 6.104 1.487 760 HH11 ARG 29 HH11 ARG 29 -15.856 9.500 1.462 761 HH12 ARG 29 HH12 ARG 29 -16.531 9.814 3.038 762 HH21 ARG 29 HH21 ARG 29 -17.581 6.508 3.579 763 HH22 ARG 29 HH22 ARG 29 -17.490 8.111 4.242 764 H GLU 30 HN GLU 30 -13.633 8.753 -1.943 765 HA GLU 30 HA GLU 30 -11.092 8.618 -0.680 766 HB2 GLU 30 HB2 GLU 30 -13.096 10.796 -1.123 767 HB3 GLU 30 HB1 GLU 30 -11.664 11.077 -0.138 768 HG2 GLU 30 HG2 GLU 30 -11.024 11.773 -2.233 769 HG3 GLU 30 HG1 GLU 30 -10.363 10.143 -2.093 770 H GLY 31 HN GLY 31 -12.971 7.066 0.641 771 HA2 GLY 31 HA2 GLY 31 -12.414 7.918 3.329 772 HA3 GLY 31 HA1 GLY 31 -14.136 7.783 2.946 773 H ASP 32 HN ASP 32 -11.689 5.849 1.456 774 HA ASP 32 HA ASP 32 -12.740 3.427 2.703 775 HB2 ASP 32 HB2 ASP 32 -12.357 3.369 0.288 776 HB3 ASP 32 HB1 ASP 32 -10.662 3.801 0.524 777 HA PRO 33 HA PRO 33 -9.238 3.501 5.437 778 HB2 PRO 33 HB2 PRO 33 -10.159 1.176 6.714 779 HB3 PRO 33 HB1 PRO 33 -10.377 2.837 7.259 780 HG2 PRO 33 HG2 PRO 33 -12.394 1.095 6.350 781 HG3 PRO 33 HG1 PRO 33 -12.549 2.832 6.644 782 HD2 PRO 33 HD2 PRO 33 -12.228 1.375 4.072 783 HD3 PRO 33 HD1 PRO 33 -12.983 2.951 4.406 784 H LEU 34 HN LEU 34 -7.351 2.291 5.503 785 HA LEU 34 HA LEU 34 -7.484 -0.385 4.371 786 HB2 LEU 34 HB2 LEU 34 -5.171 1.402 3.676 787 HB3 LEU 34 HB1 LEU 34 -5.652 -0.113 2.933 788 HG LEU 34 HG LEU 34 -7.809 1.626 2.539 789 HD11 LEU 34 HD11 LEU 34 -6.410 3.510 3.105 790 HD12 LEU 34 HD12 LEU 34 -6.759 3.517 1.375 791 HD13 LEU 34 HD13 LEU 34 -5.183 2.977 1.956 792 HD21 LEU 34 HD21 LEU 34 -7.215 1.392 0.189 793 HD22 LEU 34 HD22 LEU 34 -7.030 -0.147 1.033 794 HD23 LEU 34 HD23 LEU 34 -5.608 0.820 0.638 795 H GLU 35 HN GLU 35 -5.838 -1.696 5.031 796 HA GLU 35 HA GLU 35 -4.700 -0.886 7.628 797 HB2 GLU 35 HB2 GLU 35 -6.261 -2.827 7.798 798 HB3 GLU 35 HB1 GLU 35 -5.207 -3.716 6.708 799 HG2 GLU 35 HG2 GLU 35 -3.395 -3.603 8.289 800 HG3 GLU 35 HG1 GLU 35 -4.378 -2.629 9.383 801 H ILE 36 HN ILE 36 -2.677 -0.354 7.420 802 HA ILE 36 HA ILE 36 -1.082 -1.404 5.246 803 HB ILE 36 HB ILE 36 -0.607 0.672 7.401 804 HG12 ILE 36 HG12 ILE 36 -0.298 2.162 5.367 805 HG13 ILE 36 HG11 ILE 36 -0.926 0.830 4.406 806 HG21 ILE 36 HG21 ILE 36 1.560 1.136 6.369 807 HG22 ILE 36 HG22 ILE 36 1.343 -0.256 5.307 808 HG23 ILE 36 HG23 ILE 36 1.480 -0.489 7.051 809 HD11 ILE 36 HD11 ILE 36 -2.389 2.275 6.602 810 HD12 ILE 36 HD12 ILE 36 -3.025 0.928 5.657 811 HD13 ILE 36 HD13 ILE 36 -2.653 2.463 4.869 812 H PHE 37 HN PHE 37 -0.279 -3.353 5.588 813 HA PHE 37 HA PHE 37 1.522 -3.619 7.811 814 HB2 PHE 37 HB2 PHE 37 0.689 -5.590 8.776 815 HB3 PHE 37 HB1 PHE 37 -0.730 -4.570 8.573 816 HD1 PHE 37 HD2 PHE 37 -2.407 -5.097 6.872 817 HD2 PHE 37 HD1 PHE 37 0.919 -7.650 7.592 818 HE1 PHE 37 HE2 PHE 37 -3.549 -6.916 5.679 819 HE2 PHE 37 HE1 PHE 37 -0.220 -9.479 6.401 820 HZ PHE 37 HZ PHE 37 -2.459 -9.109 5.443 821 H VAL 38 HN VAL 38 3.321 -4.618 7.207 822 HA VAL 38 HA VAL 38 3.467 -5.310 4.409 823 HB VAL 38 HB VAL 38 5.263 -3.953 5.032 824 HG11 VAL 38 HG11 VAL 38 6.711 -4.371 6.987 825 HG12 VAL 38 HG12 VAL 38 5.676 -5.728 7.437 826 HG13 VAL 38 HG13 VAL 38 5.030 -4.087 7.439 827 HG21 VAL 38 HG21 VAL 38 7.255 -5.260 4.708 828 HG22 VAL 38 HG22 VAL 38 5.961 -5.962 3.729 829 HG23 VAL 38 HG23 VAL 38 6.433 -6.724 5.247 830 H ASP 39 HN ASP 39 3.538 -7.208 3.584 831 HA ASP 39 HA ASP 39 3.732 -9.560 5.288 832 HB2 ASP 39 HB2 ASP 39 2.132 -9.089 3.144 833 HB3 ASP 39 HB1 ASP 39 3.505 -9.898 2.381 834 H ARG 40 HN ARG 40 5.110 -11.362 4.280 835 HA ARG 40 HA ARG 40 7.215 -12.079 3.939 836 HB2 ARG 40 HB2 ARG 40 8.082 -11.165 1.573 837 HB3 ARG 40 HB1 ARG 40 6.927 -12.469 1.769 838 HG2 ARG 40 HG2 ARG 40 5.917 -9.674 1.559 839 HG3 ARG 40 HG1 ARG 40 6.492 -10.502 0.101 840 HD2 ARG 40 HD2 ARG 40 4.973 -12.442 0.854 841 HD3 ARG 40 HD1 ARG 40 4.229 -11.255 1.923 842 HE ARG 40 HE ARG 40 4.382 -10.336 -0.784 843 HH11 ARG 40 HH11 ARG 40 2.510 -12.258 1.471 844 HH12 ARG 40 HH12 ARG 40 1.069 -12.247 0.489 845 HH21 ARG 40 HH21 ARG 40 2.485 -10.300 -2.067 846 HH22 ARG 40 HH22 ARG 40 1.054 -11.122 -1.531 847 H ASP 41 HN ASP 41 8.325 -9.476 2.002 848 HA ASP 41 HA ASP 41 10.311 -8.906 4.092 849 HB2 ASP 41 HB2 ASP 41 11.379 -9.891 2.199 850 HB3 ASP 41 HB1 ASP 41 10.505 -8.837 1.085 851 H GLY 42 HN GLY 42 9.587 -7.125 1.152 852 HA2 GLY 42 HA2 GLY 42 9.154 -4.739 2.836 853 HA3 GLY 42 HA1 GLY 42 10.040 -4.704 1.317 854 H GLU 43 HN GLU 43 7.211 -6.662 1.622 855 HA GLU 43 HA GLU 43 5.825 -4.908 -0.260 856 HB2 GLU 43 HB2 GLU 43 4.743 -7.554 0.662 857 HB3 GLU 43 HB1 GLU 43 4.528 -6.739 -0.882 858 HG2 GLU 43 HG2 GLU 43 7.177 -7.166 -0.972 859 HG3 GLU 43 HG1 GLU 43 6.678 -8.531 0.031 860 H VAL 44 HN VAL 44 4.557 -3.383 0.688 861 HA VAL 44 HA VAL 44 3.386 -3.947 3.297 862 HB VAL 44 HB VAL 44 2.684 -1.480 1.780 863 HG11 VAL 44 HG11 VAL 44 2.796 -0.511 4.055 864 HG12 VAL 44 HG12 VAL 44 3.240 -2.101 4.683 865 HG13 VAL 44 HG13 VAL 44 1.667 -1.859 3.924 866 HG21 VAL 44 HG21 VAL 44 5.342 -1.869 3.171 867 HG22 VAL 44 HG22 VAL 44 4.723 -0.349 2.524 868 HG23 VAL 44 HG23 VAL 44 5.105 -1.684 1.435 869 H ILE 45 HN ILE 45 1.299 -4.400 3.632 870 HA ILE 45 HA ILE 45 -0.387 -4.743 1.237 871 HB ILE 45 HB ILE 45 -0.283 -6.243 3.857 872 HG12 ILE 45 HG12 ILE 45 -0.017 -8.226 2.405 873 HG13 ILE 45 HG11 ILE 45 -0.132 -7.190 0.978 874 HG21 ILE 45 HG21 ILE 45 -2.609 -5.828 3.454 875 HG22 ILE 45 HG22 ILE 45 -2.269 -7.517 3.075 876 HG23 ILE 45 HG23 ILE 45 -2.464 -6.346 1.771 877 HD11 ILE 45 HD11 ILE 45 1.947 -6.097 1.659 878 HD12 ILE 45 HD12 ILE 45 2.133 -7.828 1.369 879 HD13 ILE 45 HD13 ILE 45 2.064 -7.216 3.025 880 H LEU 46 HN LEU 46 -1.928 -3.270 1.135 881 HA LEU 46 HA LEU 46 -3.008 -2.056 3.601 882 HB2 LEU 46 HB2 LEU 46 -3.585 -0.873 0.936 883 HB3 LEU 46 HB1 LEU 46 -3.230 -0.081 2.460 884 HG LEU 46 HG LEU 46 -1.107 -1.500 0.876 885 HD11 LEU 46 HD11 LEU 46 -2.116 0.182 -0.568 886 HD12 LEU 46 HD12 LEU 46 -0.508 0.686 -0.053 887 HD13 LEU 46 HD13 LEU 46 -1.937 1.397 0.697 888 HD21 LEU 46 HD21 LEU 46 0.378 -0.022 2.141 889 HD22 LEU 46 HD22 LEU 46 -0.601 -1.026 3.211 890 HD23 LEU 46 HD23 LEU 46 -1.017 0.670 2.969 891 H LYS 47 HN LYS 47 -5.002 -2.892 4.147 892 HA LYS 47 HA LYS 47 -6.796 -3.453 1.870 893 HB2 LYS 47 HB2 LYS 47 -6.832 -5.610 2.313 894 HB3 LYS 47 HB1 LYS 47 -5.704 -5.363 3.630 895 HG2 LYS 47 HG2 LYS 47 -8.606 -4.911 4.110 896 HG3 LYS 47 HG1 LYS 47 -7.991 -6.562 4.010 897 HD2 LYS 47 HD2 LYS 47 -7.212 -4.398 5.955 898 HD3 LYS 47 HD1 LYS 47 -7.953 -5.969 6.296 899 HE2 LYS 47 HE2 LYS 47 -5.741 -6.819 5.083 900 HE3 LYS 47 HE1 LYS 47 -5.130 -5.284 5.699 901 HZ1 LYS 47 HZ1 LYS 47 -5.996 -6.002 7.924 902 HZ2 LYS 47 HZ2 LYS 47 -4.701 -6.917 7.330 903 HZ3 LYS 47 HZ3 LYS 47 -6.270 -7.535 7.247 904 H LYS 48 HN LYS 48 -9.021 -3.377 2.223 905 HA LYS 48 HA LYS 48 -9.887 -0.963 2.894 906 HB2 LYS 48 HB2 LYS 48 -12.177 -2.230 3.297 907 HB3 LYS 48 HB1 LYS 48 -11.451 -2.010 1.717 908 HG2 LYS 48 HG2 LYS 48 -10.232 -4.272 2.409 909 HG3 LYS 48 HG1 LYS 48 -11.693 -4.439 3.386 910 HD2 LYS 48 HD2 LYS 48 -11.615 -3.910 0.423 911 HD3 LYS 48 HD1 LYS 48 -11.903 -5.491 1.158 912 HE2 LYS 48 HE2 LYS 48 -13.843 -4.278 2.381 913 HE3 LYS 48 HE1 LYS 48 -13.658 -3.063 1.119 914 HZ1 LYS 48 HZ1 LYS 48 -14.174 -5.955 0.657 915 HZ2 LYS 48 HZ2 LYS 48 -14.021 -4.776 -0.546 916 HZ3 LYS 48 HZ3 LYS 48 -15.330 -4.721 0.528 917 H TYR 49 HN TYR 49 -9.462 -3.371 5.397 918 HA TYR 49 HA TYR 49 -9.512 -3.106 7.665 919 HB2 TYR 49 HB2 TYR 49 -8.820 -0.808 7.545 920 HB3 TYR 49 HB1 TYR 49 -10.414 -0.331 6.987 921 HD1 TYR 49 HD2 TYR 49 -9.221 -2.347 9.921 922 HD2 TYR 49 HD1 TYR 49 -11.503 0.964 8.530 923 HE1 TYR 49 HE2 TYR 49 -9.950 -1.883 12.225 924 HE2 TYR 49 HE1 TYR 49 -12.239 1.432 10.825 925 HH TYR 49 HH TYR 49 -10.816 -0.077 13.565 926 H SER 50 HN SER 50 -12.268 -1.707 5.970 927 HA SER 50 HA SER 50 -14.192 -1.787 7.913 928 HB2 SER 50 HB2 SER 50 -15.739 -2.141 5.774 929 HB3 SER 50 HB1 SER 50 -14.870 -0.633 6.049 930 HG SER 50 HG SER 50 -13.998 -0.985 4.183 931 HA PRO 51 HA PRO 51 -14.983 -6.392 7.362 932 HB2 PRO 51 HB2 PRO 51 -14.301 -7.757 5.231 933 HB3 PRO 51 HB1 PRO 51 -15.590 -6.550 5.096 934 HG2 PRO 51 HG2 PRO 51 -12.755 -6.409 4.169 935 HG3 PRO 51 HG1 PRO 51 -14.209 -5.699 3.446 936 HD2 PRO 51 HD2 PRO 51 -12.323 -4.436 5.167 937 HD3 PRO 51 HD1 PRO 51 -13.844 -3.757 4.553 938 H ILE 52 HN ILE 52 -12.149 -5.065 7.612 939 HA ILE 52 HA ILE 52 -9.943 -5.566 7.830 940 HB ILE 52 HB ILE 52 -10.557 -8.345 8.700 941 HG12 ILE 52 HG12 ILE 52 -11.513 -5.868 10.150 942 HG13 ILE 52 HG11 ILE 52 -12.505 -7.193 9.534 943 HG21 ILE 52 HG21 ILE 52 -8.295 -7.329 8.900 944 HG22 ILE 52 HG22 ILE 52 -8.967 -7.797 10.459 945 HG23 ILE 52 HG23 ILE 52 -8.972 -6.103 9.972 946 HD11 ILE 52 HD11 ILE 52 -10.492 -7.390 11.769 947 HD12 ILE 52 HD12 ILE 52 -11.503 -8.701 11.163 948 HD13 ILE 52 HD13 ILE 52 -12.244 -7.309 11.951 949 H SER 53 HN SER 53 -9.041 -8.524 7.552 950 HA SER 53 HA SER 53 -8.723 -8.389 4.692 951 HB2 SER 53 HB2 SER 53 -7.715 -10.385 6.729 952 HB3 SER 53 HB1 SER 53 -7.372 -10.500 5.004 953 HG SER 53 HG SER 53 -6.124 -8.730 5.101 954 H GLU 54 HN GLU 54 -10.609 -10.007 7.017 955 HA GLU 54 HA GLU 54 -12.400 -11.174 5.149 956 HB2 GLU 54 HB2 GLU 54 -10.531 -12.792 4.994 957 HB3 GLU 54 HB1 GLU 54 -10.623 -13.049 6.730 958 HG2 GLU 54 HG2 GLU 54 -12.868 -13.958 6.485 959 HG3 GLU 54 HG1 GLU 54 -12.793 -13.683 4.744 960 H LEU 55 HN LEU 55 -14.285 -10.916 6.155 961 HA LEU 55 HA LEU 55 -14.304 -10.974 9.098 962 HB2 LEU 55 HB2 LEU 55 -14.984 -8.912 7.506 963 HB3 LEU 55 HB1 LEU 55 -16.533 -9.726 7.593 964 HG LEU 55 HG LEU 55 -16.328 -7.936 9.260 965 HD11 LEU 55 HD11 LEU 55 -17.009 -9.229 11.225 966 HD12 LEU 55 HD12 LEU 55 -16.424 -10.703 10.451 967 HD13 LEU 55 HD13 LEU 55 -17.779 -9.818 9.753 968 HD21 LEU 55 HD21 LEU 55 -14.160 -9.622 10.494 969 HD22 LEU 55 HD22 LEU 55 -14.769 -8.072 11.072 970 HD23 LEU 55 HD23 LEU 55 -13.868 -8.155 9.556 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 8.816 -4.425 13.587 2 H2 MET 1 HT2 MET 1 9.060 -5.427 14.929 3 H3 MET 1 HT3 MET 1 7.501 -4.865 14.563 4 HA MET 1 HA MET 1 9.124 -6.734 12.937 5 HB2 MET 1 HB2 MET 1 7.383 -7.152 15.142 6 HB3 MET 1 HB1 MET 1 6.535 -7.706 13.705 7 HG2 MET 1 HG2 MET 1 9.256 -8.601 14.623 8 HG3 MET 1 HG1 MET 1 7.755 -9.519 14.738 9 HE1 MET 1 HE1 MET 1 10.388 -10.702 13.459 10 HE2 MET 1 HE2 MET 1 9.744 -11.484 12.015 11 HE3 MET 1 HE3 MET 1 8.866 -11.592 13.540 12 H LYS 2 HN LYS 2 7.622 -7.783 11.245 13 HA LYS 2 HA LYS 2 6.326 -5.633 9.805 14 HB2 LYS 2 HB2 LYS 2 6.538 -6.898 7.913 15 HB3 LYS 2 HB1 LYS 2 7.810 -7.637 8.868 16 HG2 LYS 2 HG2 LYS 2 5.014 -8.721 8.670 17 HG3 LYS 2 HG1 LYS 2 6.343 -9.220 7.628 18 HD2 LYS 2 HD2 LYS 2 7.554 -10.114 9.488 19 HD3 LYS 2 HD1 LYS 2 6.400 -9.424 10.635 20 HE2 LYS 2 HE2 LYS 2 6.018 -11.819 10.314 21 HE3 LYS 2 HE1 LYS 2 4.646 -10.856 9.760 22 HZ1 LYS 2 HZ1 LYS 2 6.748 -12.059 8.025 23 HZ2 LYS 2 HZ2 LYS 2 5.461 -11.100 7.482 24 HZ3 LYS 2 HZ3 LYS 2 5.150 -12.607 8.186 25 H ALA 3 HN ALA 3 4.187 -6.800 8.532 26 HA ALA 3 HA ALA 3 1.939 -6.800 8.845 27 HB1 ALA 3 HB1 ALA 3 2.382 -9.142 9.424 28 HB2 ALA 3 HB2 ALA 3 1.012 -8.485 10.321 29 HB3 ALA 3 HB3 ALA 3 2.575 -8.676 11.116 30 H THR 4 HN THR 4 2.193 -4.556 9.470 31 HA THR 4 HA THR 4 2.466 -3.934 12.257 32 HB THR 4 HB THR 4 2.478 -1.569 11.410 33 HG1 THR 4 HG1 THR 4 1.355 -1.803 9.461 34 HG21 THR 4 HG21 THR 4 4.431 -3.459 10.085 35 HG22 THR 4 HG22 THR 4 4.541 -2.903 11.757 36 HG23 THR 4 HG23 THR 4 4.697 -1.748 10.433 37 H GLY 5 HN GLY 5 -0.047 -3.859 9.858 38 HA2 GLY 5 HA2 GLY 5 -2.325 -3.612 10.073 39 HA3 GLY 5 HA1 GLY 5 -2.075 -3.993 11.774 40 H ILE 6 HN ILE 6 -1.034 -1.217 9.808 41 HA ILE 6 HA ILE 6 -2.493 0.488 11.708 42 HB ILE 6 HB ILE 6 -0.283 1.255 11.793 43 HG12 ILE 6 HG12 ILE 6 -0.268 3.465 10.692 44 HG13 ILE 6 HG11 ILE 6 -1.622 2.966 9.688 45 HG21 ILE 6 HG21 ILE 6 0.667 0.003 9.974 46 HG22 ILE 6 HG22 ILE 6 1.135 1.700 9.839 47 HG23 ILE 6 HG23 ILE 6 -0.129 1.048 8.797 48 HD11 ILE 6 HD11 ILE 6 -2.378 4.376 11.490 49 HD12 ILE 6 HD12 ILE 6 -1.648 3.294 12.679 50 HD13 ILE 6 HD13 ILE 6 -3.007 2.741 11.698 51 H VAL 7 HN VAL 7 -4.448 0.785 10.958 52 HA VAL 7 HA VAL 7 -5.066 0.835 8.154 53 HB VAL 7 HB VAL 7 -6.738 1.335 10.606 54 HG11 VAL 7 HG11 VAL 7 -8.682 1.459 9.058 55 HG12 VAL 7 HG12 VAL 7 -7.554 1.551 7.695 56 HG13 VAL 7 HG13 VAL 7 -7.588 2.837 8.906 57 HG21 VAL 7 HG21 VAL 7 -7.841 -0.723 9.879 58 HG22 VAL 7 HG22 VAL 7 -6.107 -0.977 10.097 59 HG23 VAL 7 HG23 VAL 7 -6.779 -0.802 8.475 60 H ARG 8 HN ARG 8 -5.340 2.547 6.827 61 HA ARG 8 HA ARG 8 -5.086 5.245 7.902 62 HB2 ARG 8 HB2 ARG 8 -2.964 5.131 6.988 63 HB3 ARG 8 HB1 ARG 8 -3.379 3.774 5.968 64 HG2 ARG 8 HG2 ARG 8 -2.759 5.758 4.669 65 HG3 ARG 8 HG1 ARG 8 -4.417 5.237 4.331 66 HD2 ARG 8 HD2 ARG 8 -4.277 7.660 4.526 67 HD3 ARG 8 HD1 ARG 8 -5.261 6.975 5.821 68 HE ARG 8 HE ARG 8 -2.817 7.185 6.958 69 HH11 ARG 8 HH11 ARG 8 -4.817 9.420 5.164 70 HH12 ARG 8 HH12 ARG 8 -4.278 10.820 6.041 71 HH21 ARG 8 HH21 ARG 8 -2.105 9.015 8.141 72 HH22 ARG 8 HH22 ARG 8 -2.747 10.586 7.755 73 H ARG 9 HN ARG 9 -6.939 6.258 7.286 74 HA ARG 9 HA ARG 9 -8.467 5.189 5.063 75 HB2 ARG 9 HB2 ARG 9 -9.374 6.237 7.261 76 HB3 ARG 9 HB1 ARG 9 -9.069 7.774 6.450 77 HG2 ARG 9 HG2 ARG 9 -10.823 7.543 5.091 78 HG3 ARG 9 HG1 ARG 9 -10.562 5.806 4.866 79 HD2 ARG 9 HD2 ARG 9 -12.649 6.272 6.089 80 HD3 ARG 9 HD1 ARG 9 -11.483 5.366 7.071 81 HE ARG 9 HE ARG 9 -11.390 8.250 7.380 82 HH11 ARG 9 HH11 ARG 9 -12.847 5.283 8.578 83 HH12 ARG 9 HH12 ARG 9 -13.107 5.935 10.170 84 HH21 ARG 9 HH21 ARG 9 -11.733 9.075 9.449 85 HH22 ARG 9 HH22 ARG 9 -12.460 8.070 10.677 86 H ILE 10 HN ILE 10 -7.596 5.536 3.191 87 HA ILE 10 HA ILE 10 -5.795 6.812 2.010 88 HB ILE 10 HB ILE 10 -7.538 7.692 0.170 89 HG12 ILE 10 HG12 ILE 10 -9.608 6.461 0.182 90 HG13 ILE 10 HG11 ILE 10 -9.102 5.512 1.578 91 HG21 ILE 10 HG21 ILE 10 -5.953 6.048 -0.311 92 HG22 ILE 10 HG22 ILE 10 -7.517 5.310 -0.661 93 HG23 ILE 10 HG23 ILE 10 -6.663 4.910 0.835 94 HD11 ILE 10 HD11 ILE 10 -10.652 7.006 2.417 95 HD12 ILE 10 HD12 ILE 10 -10.011 8.352 1.476 96 HD13 ILE 10 HD13 ILE 10 -9.097 7.721 2.849 97 H ASP 11 HN ASP 11 -8.270 8.994 1.087 98 HA ASP 11 HA ASP 11 -8.234 11.134 2.667 99 HB2 ASP 11 HB2 ASP 11 -6.458 12.611 2.114 100 HB3 ASP 11 HB1 ASP 11 -5.684 11.075 2.432 101 H ASP 12 HN ASP 12 -7.792 13.244 0.820 102 HA ASP 12 HA ASP 12 -10.220 13.007 -0.671 103 HB2 ASP 12 HB2 ASP 12 -9.428 15.130 0.342 104 HB3 ASP 12 HB1 ASP 12 -8.094 15.157 -0.806 105 H LEU 13 HN LEU 13 -6.866 12.506 -1.354 106 HA LEU 13 HA LEU 13 -7.349 12.412 -4.236 107 HB2 LEU 13 HB2 LEU 13 -5.326 13.543 -3.256 108 HB3 LEU 13 HB1 LEU 13 -4.767 11.965 -2.748 109 HG LEU 13 HG LEU 13 -3.783 12.950 -4.892 110 HD11 LEU 13 HD11 LEU 13 -3.644 10.783 -5.977 111 HD12 LEU 13 HD12 LEU 13 -5.005 10.202 -5.017 112 HD13 LEU 13 HD13 LEU 13 -3.486 10.617 -4.227 113 HD21 LEU 13 HD21 LEU 13 -5.831 13.736 -5.898 114 HD22 LEU 13 HD22 LEU 13 -6.473 12.094 -5.932 115 HD23 LEU 13 HD23 LEU 13 -5.082 12.517 -6.931 116 H GLY 14 HN GLY 14 -5.867 10.300 -1.739 117 HA2 GLY 14 HA2 GLY 14 -6.992 7.998 -1.781 118 HA3 GLY 14 HA1 GLY 14 -6.523 8.007 -3.474 119 H ARG 15 HN ARG 15 -4.315 9.516 -1.287 120 HA ARG 15 HA ARG 15 -2.325 7.543 -1.920 121 HB2 ARG 15 HB2 ARG 15 -2.120 9.686 0.183 122 HB3 ARG 15 HB1 ARG 15 -0.800 8.804 -0.567 123 HG2 ARG 15 HG2 ARG 15 -0.592 10.516 -1.934 124 HG3 ARG 15 HG1 ARG 15 -2.110 10.003 -2.685 125 HD2 ARG 15 HD2 ARG 15 -3.381 11.475 -1.415 126 HD3 ARG 15 HD1 ARG 15 -2.104 11.674 -0.213 127 HE ARG 15 HE ARG 15 -1.059 12.668 -2.557 128 HH11 ARG 15 HH11 ARG 15 -3.913 13.387 -0.626 129 HH12 ARG 15 HH12 ARG 15 -3.861 15.092 -0.983 130 HH21 ARG 15 HH21 ARG 15 -1.038 14.878 -3.050 131 HH22 ARG 15 HH22 ARG 15 -2.252 15.927 -2.384 132 H VAL 16 HN VAL 16 -1.296 6.156 -0.493 133 HA VAL 16 HA VAL 16 -2.660 5.789 2.074 134 HB VAL 16 HB VAL 16 -0.929 3.843 0.544 135 HG11 VAL 16 HG11 VAL 16 -0.539 3.597 2.916 136 HG12 VAL 16 HG12 VAL 16 -1.531 2.254 2.342 137 HG13 VAL 16 HG13 VAL 16 -2.274 3.586 3.229 138 HG21 VAL 16 HG21 VAL 16 -2.986 2.515 0.411 139 HG22 VAL 16 HG22 VAL 16 -3.167 4.084 -0.375 140 HG23 VAL 16 HG23 VAL 16 -3.868 3.811 1.221 141 H VAL 17 HN VAL 17 -1.690 7.184 3.346 142 HA VAL 17 HA VAL 17 0.977 8.035 3.007 143 HB VAL 17 HB VAL 17 -0.826 8.353 5.414 144 HG11 VAL 17 HG11 VAL 17 1.709 9.806 4.665 145 HG12 VAL 17 HG12 VAL 17 1.506 8.679 6.011 146 HG13 VAL 17 HG13 VAL 17 0.648 10.223 6.013 147 HG21 VAL 17 HG21 VAL 17 -1.226 10.619 4.498 148 HG22 VAL 17 HG22 VAL 17 -1.817 9.339 3.439 149 HG23 VAL 17 HG23 VAL 17 -0.310 10.170 3.057 150 H ILE 18 HN ILE 18 2.480 6.491 3.147 151 HA ILE 18 HA ILE 18 2.434 4.538 5.283 152 HB ILE 18 HB ILE 18 4.335 4.954 2.963 153 HG12 ILE 18 HG12 ILE 18 2.130 4.105 2.337 154 HG13 ILE 18 HG11 ILE 18 3.365 2.871 2.115 155 HG21 ILE 18 HG21 ILE 18 5.572 4.032 4.839 156 HG22 ILE 18 HG22 ILE 18 5.344 2.796 3.599 157 HG23 ILE 18 HG23 ILE 18 4.351 2.778 5.057 158 HD11 ILE 18 HD11 ILE 18 1.333 1.943 3.063 159 HD12 ILE 18 HD12 ILE 18 1.458 3.050 4.431 160 HD13 ILE 18 HD13 ILE 18 2.683 1.805 4.189 161 HA PRO 19 HA PRO 19 4.852 7.287 7.925 162 HB2 PRO 19 HB2 PRO 19 4.952 4.615 9.250 163 HB3 PRO 19 HB1 PRO 19 4.741 6.220 9.973 164 HG2 PRO 19 HG2 PRO 19 2.626 4.689 9.668 165 HG3 PRO 19 HG1 PRO 19 2.537 6.401 9.193 166 HD2 PRO 19 HD2 PRO 19 2.858 3.976 7.461 167 HD3 PRO 19 HD1 PRO 19 1.855 5.425 7.197 168 H LYS 20 HN LYS 20 6.988 7.576 8.039 169 HA LYS 20 HA LYS 20 8.644 6.204 6.270 170 HB2 LYS 20 HB2 LYS 20 10.532 7.424 7.385 171 HB3 LYS 20 HB1 LYS 20 9.243 8.433 6.748 172 HG2 LYS 20 HG2 LYS 20 9.319 7.613 9.633 173 HG3 LYS 20 HG1 LYS 20 10.196 9.027 9.039 174 HD2 LYS 20 HD2 LYS 20 7.243 8.553 8.685 175 HD3 LYS 20 HD1 LYS 20 7.944 9.552 9.965 176 HE2 LYS 20 HE2 LYS 20 8.163 10.014 6.988 177 HE3 LYS 20 HE1 LYS 20 7.177 10.941 8.116 178 HZ1 LYS 20 HZ1 LYS 20 9.217 11.662 9.226 179 HZ2 LYS 20 HZ2 LYS 20 9.213 12.106 7.591 180 HZ3 LYS 20 HZ3 LYS 20 10.149 10.790 8.107 181 H GLU 21 HN GLU 21 7.671 5.338 9.390 182 HA GLU 21 HA GLU 21 10.006 4.032 10.280 183 HB2 GLU 21 HB2 GLU 21 8.561 2.951 11.918 184 HB3 GLU 21 HB1 GLU 21 8.227 4.672 11.798 185 HG2 GLU 21 HG2 GLU 21 6.320 4.075 10.278 186 HG3 GLU 21 HG1 GLU 21 6.590 2.395 10.746 187 H ILE 22 HN ILE 22 7.765 3.133 7.831 188 HA ILE 22 HA ILE 22 8.361 0.287 8.168 189 HB ILE 22 HB ILE 22 6.582 1.612 6.103 190 HG12 ILE 22 HG12 ILE 22 4.910 0.125 7.609 191 HG13 ILE 22 HG11 ILE 22 6.112 0.547 8.825 192 HG21 ILE 22 HG21 ILE 22 5.820 -0.647 5.593 193 HG22 ILE 22 HG22 ILE 22 6.943 -1.308 6.781 194 HG23 ILE 22 HG23 ILE 22 7.559 -0.503 5.338 195 HD11 ILE 22 HD11 ILE 22 4.233 2.092 8.814 196 HD12 ILE 22 HD12 ILE 22 4.595 2.511 7.140 197 HD13 ILE 22 HD13 ILE 22 5.753 2.891 8.415 198 H ARG 23 HN ARG 23 8.650 2.945 5.864 199 HA ARG 23 HA ARG 23 10.429 1.757 4.045 200 HB2 ARG 23 HB2 ARG 23 9.718 3.702 3.136 201 HB3 ARG 23 HB1 ARG 23 9.447 4.441 4.699 202 HG2 ARG 23 HG2 ARG 23 12.212 4.172 3.591 203 HG3 ARG 23 HG1 ARG 23 11.153 5.488 3.096 204 HD2 ARG 23 HD2 ARG 23 10.846 5.712 5.717 205 HD3 ARG 23 HD1 ARG 23 12.432 4.948 5.704 206 HE ARG 23 HE ARG 23 11.910 7.434 4.208 207 HH11 ARG 23 HH11 ARG 23 13.797 5.586 6.503 208 HH12 ARG 23 HH12 ARG 23 14.965 6.846 6.758 209 HH21 ARG 23 HH21 ARG 23 13.415 9.091 4.536 210 HH22 ARG 23 HH22 ARG 23 14.746 8.847 5.638 211 H ARG 24 HN ARG 24 10.834 3.237 7.132 212 HA ARG 24 HA ARG 24 13.578 3.382 7.356 213 HB2 ARG 24 HB2 ARG 24 12.079 4.332 8.975 214 HB3 ARG 24 HB1 ARG 24 11.447 2.752 9.393 215 HG2 ARG 24 HG2 ARG 24 13.700 2.170 10.267 216 HG3 ARG 24 HG1 ARG 24 14.172 3.852 9.997 217 HD2 ARG 24 HD2 ARG 24 12.176 4.513 11.388 218 HD3 ARG 24 HD1 ARG 24 12.004 2.811 11.808 219 HE ARG 24 HE ARG 24 14.614 3.944 12.349 220 HH11 ARG 24 HH11 ARG 24 11.438 3.127 13.594 221 HH12 ARG 24 HH12 ARG 24 11.886 3.379 15.256 222 HH21 ARG 24 HH21 ARG 24 15.205 4.239 14.542 223 HH22 ARG 24 HH22 ARG 24 14.028 3.993 15.791 224 H THR 25 HN THR 25 11.412 0.645 8.379 225 HA THR 25 HA THR 25 13.545 -1.146 8.808 226 HB THR 25 HB THR 25 10.676 -1.795 8.094 227 HG1 THR 25 HG1 THR 25 10.140 -1.219 10.095 228 HG21 THR 25 HG21 THR 25 12.162 -3.739 8.132 229 HG22 THR 25 HG22 THR 25 11.060 -3.777 9.509 230 HG23 THR 25 HG23 THR 25 12.737 -3.284 9.736 231 H LEU 26 HN LEU 26 11.905 -0.060 5.974 232 HA LEU 26 HA LEU 26 12.507 -2.199 4.232 233 HB2 LEU 26 HB2 LEU 26 11.454 0.502 4.038 234 HB3 LEU 26 HB1 LEU 26 12.511 0.125 2.687 235 HG LEU 26 HG LEU 26 10.285 -0.384 2.019 236 HD11 LEU 26 HD11 LEU 26 10.444 -2.738 1.502 237 HD12 LEU 26 HD12 LEU 26 11.680 -2.952 2.740 238 HD13 LEU 26 HD13 LEU 26 12.013 -1.959 1.320 239 HD21 LEU 26 HD21 LEU 26 9.191 -0.553 4.160 240 HD22 LEU 26 HD22 LEU 26 10.103 -2.009 4.560 241 HD23 LEU 26 HD23 LEU 26 8.908 -2.044 3.260 242 H ARG 27 HN ARG 27 14.498 0.136 5.699 243 HA ARG 27 HA ARG 27 16.672 0.761 5.479 244 HB2 ARG 27 HB2 ARG 27 16.580 -1.741 3.964 245 HB3 ARG 27 HB1 ARG 27 17.812 -0.629 3.394 246 HG2 ARG 27 HG2 ARG 27 18.724 -2.176 5.014 247 HG3 ARG 27 HG1 ARG 27 18.765 -0.526 5.637 248 HD2 ARG 27 HD2 ARG 27 18.053 -2.220 7.307 249 HD3 ARG 27 HD1 ARG 27 16.869 -0.942 7.038 250 HE ARG 27 HE ARG 27 15.553 -2.503 5.776 251 HH11 ARG 27 HH11 ARG 27 18.258 -3.966 7.459 252 HH12 ARG 27 HH12 ARG 27 17.476 -5.513 7.618 253 HH21 ARG 27 HH21 ARG 27 14.554 -4.529 5.941 254 HH22 ARG 27 HH22 ARG 27 15.373 -5.843 6.732 255 H ILE 28 HN ILE 28 14.383 1.718 3.815 256 HA ILE 28 HA ILE 28 15.909 2.905 1.595 257 HB ILE 28 HB ILE 28 12.932 2.552 1.447 258 HG12 ILE 28 HG12 ILE 28 15.047 0.492 0.730 259 HG13 ILE 28 HG11 ILE 28 13.849 0.332 2.007 260 HG21 ILE 28 HG21 ILE 28 15.199 2.683 -0.573 261 HG22 ILE 28 HG22 ILE 28 13.972 3.914 -0.285 262 HG23 ILE 28 HG23 ILE 28 13.518 2.371 -0.998 263 HD11 ILE 28 HD11 ILE 28 13.235 0.532 -0.928 264 HD12 ILE 28 HD12 ILE 28 12.079 0.263 0.379 265 HD13 ILE 28 HD13 ILE 28 13.293 -0.961 0.009 266 H ARG 29 HN ARG 29 13.806 4.743 0.905 267 HA ARG 29 HA ARG 29 13.588 6.543 3.108 268 HB2 ARG 29 HB2 ARG 29 15.212 8.163 2.460 269 HB3 ARG 29 HB1 ARG 29 16.042 6.619 2.509 270 HG2 ARG 29 HG2 ARG 29 15.187 8.186 0.088 271 HG3 ARG 29 HG1 ARG 29 16.825 7.783 0.597 272 HD2 ARG 29 HD2 ARG 29 16.183 5.358 0.260 273 HD3 ARG 29 HD1 ARG 29 14.708 5.953 -0.512 274 HE ARG 29 HE ARG 29 16.419 7.208 -2.017 275 HH11 ARG 29 HH11 ARG 29 16.823 3.986 -0.695 276 HH12 ARG 29 HH12 ARG 29 17.840 3.434 -1.988 277 HH21 ARG 29 HH21 ARG 29 17.785 6.488 -3.722 278 HH22 ARG 29 HH22 ARG 29 18.415 4.863 -3.691 279 H GLU 30 HN GLU 30 13.657 8.924 1.556 280 HA GLU 30 HA GLU 30 11.110 8.832 0.287 281 HB2 GLU 30 HB2 GLU 30 13.236 10.947 0.544 282 HB3 GLU 30 HB1 GLU 30 11.741 11.220 -0.347 283 HG2 GLU 30 HG2 GLU 30 11.279 12.049 1.756 284 HG3 GLU 30 HG1 GLU 30 10.563 10.436 1.748 285 H GLY 31 HN GLY 31 12.872 7.049 -0.828 286 HA2 GLY 31 HA2 GLY 31 12.556 7.753 -3.611 287 HA3 GLY 31 HA1 GLY 31 14.206 7.390 -3.100 288 H ASP 32 HN ASP 32 11.546 5.871 -1.526 289 HA ASP 32 HA ASP 32 12.302 3.250 -2.494 290 HB2 ASP 32 HB2 ASP 32 11.702 3.636 -0.117 291 HB3 ASP 32 HB1 ASP 32 10.073 4.076 -0.628 292 HA PRO 33 HA PRO 33 9.286 3.706 -5.735 293 HB2 PRO 33 HB2 PRO 33 10.454 1.473 -7.023 294 HB3 PRO 33 HB1 PRO 33 10.756 3.188 -7.377 295 HG2 PRO 33 HG2 PRO 33 12.628 1.426 -6.323 296 HG3 PRO 33 HG1 PRO 33 12.718 3.192 -6.203 297 HD2 PRO 33 HD2 PRO 33 11.764 1.197 -4.176 298 HD3 PRO 33 HD1 PRO 33 12.705 2.687 -3.938 299 H LEU 34 HN LEU 34 8.036 2.416 -3.707 300 HA LEU 34 HA LEU 34 7.820 -0.330 -3.977 301 HB2 LEU 34 HB2 LEU 34 5.501 1.336 -3.024 302 HB3 LEU 34 HB1 LEU 34 5.982 -0.265 -2.495 303 HG LEU 34 HG LEU 34 8.146 1.118 -1.704 304 HD11 LEU 34 HD11 LEU 34 5.851 3.066 -1.554 305 HD12 LEU 34 HD12 LEU 34 7.344 3.272 -2.470 306 HD13 LEU 34 HD13 LEU 34 7.386 3.241 -0.707 307 HD21 LEU 34 HD21 LEU 34 7.122 1.168 0.526 308 HD22 LEU 34 HD22 LEU 34 6.817 -0.355 -0.311 309 HD23 LEU 34 HD23 LEU 34 5.545 0.861 -0.202 310 H GLU 35 HN GLU 35 6.074 -1.536 -4.566 311 HA GLU 35 HA GLU 35 5.021 -0.777 -7.212 312 HB2 GLU 35 HB2 GLU 35 6.572 -2.688 -7.365 313 HB3 GLU 35 HB1 GLU 35 5.619 -3.551 -6.163 314 HG2 GLU 35 HG2 GLU 35 3.696 -3.572 -7.679 315 HG3 GLU 35 HG1 GLU 35 4.653 -2.719 -8.891 316 H ILE 36 HN ILE 36 2.918 -0.398 -7.206 317 HA ILE 36 HA ILE 36 1.307 -1.365 -4.994 318 HB ILE 36 HB ILE 36 0.759 0.524 -7.294 319 HG12 ILE 36 HG12 ILE 36 0.319 2.123 -5.365 320 HG13 ILE 36 HG11 ILE 36 1.007 0.895 -4.310 321 HG21 ILE 36 HG21 ILE 36 -1.188 -0.364 -5.178 322 HG22 ILE 36 HG22 ILE 36 -1.267 -0.743 -6.897 323 HG23 ILE 36 HG23 ILE 36 -1.460 0.924 -6.351 324 HD11 ILE 36 HD11 ILE 36 2.629 2.612 -4.875 325 HD12 ILE 36 HD12 ILE 36 2.423 2.258 -6.589 326 HD13 ILE 36 HD13 ILE 36 3.117 1.044 -5.515 327 H PHE 37 HN PHE 37 0.625 -3.390 -5.197 328 HA PHE 37 HA PHE 37 -1.065 -3.964 -7.460 329 HB2 PHE 37 HB2 PHE 37 0.084 -5.685 -8.414 330 HB3 PHE 37 HB1 PHE 37 1.460 -4.811 -7.767 331 HD1 PHE 37 HD2 PHE 37 -0.656 -7.776 -7.391 332 HD2 PHE 37 HD1 PHE 37 2.744 -5.677 -5.931 333 HE1 PHE 37 HE2 PHE 37 0.047 -9.784 -6.157 334 HE2 PHE 37 HE1 PHE 37 3.454 -7.684 -4.700 335 HZ PHE 37 HZ PHE 37 2.107 -9.739 -4.807 336 H VAL 38 HN VAL 38 -2.859 -4.848 -6.755 337 HA VAL 38 HA VAL 38 -3.039 -5.626 -3.978 338 HB VAL 38 HB VAL 38 -4.893 -4.358 -4.681 339 HG11 VAL 38 HG11 VAL 38 -5.126 -6.153 -7.096 340 HG12 VAL 38 HG12 VAL 38 -4.581 -4.474 -7.083 341 HG13 VAL 38 HG13 VAL 38 -6.254 -4.864 -6.679 342 HG21 VAL 38 HG21 VAL 38 -5.817 -7.226 -4.843 343 HG22 VAL 38 HG22 VAL 38 -6.841 -5.827 -4.514 344 HG23 VAL 38 HG23 VAL 38 -5.587 -6.295 -3.364 345 H ASP 39 HN ASP 39 -3.433 -7.584 -3.161 346 HA ASP 39 HA ASP 39 -2.473 -9.775 -4.791 347 HB2 ASP 39 HB2 ASP 39 -1.848 -9.183 -2.315 348 HB3 ASP 39 HB1 ASP 39 -3.334 -10.078 -1.931 349 H ARG 40 HN ARG 40 -5.296 -9.161 -2.740 350 HA ARG 40 HA ARG 40 -6.589 -11.485 -3.976 351 HB2 ARG 40 HB2 ARG 40 -7.742 -11.103 -1.447 352 HB3 ARG 40 HB1 ARG 40 -6.682 -12.407 -1.951 353 HG2 ARG 40 HG2 ARG 40 -5.286 -9.944 -1.260 354 HG3 ARG 40 HG1 ARG 40 -6.168 -10.667 0.074 355 HD2 ARG 40 HD2 ARG 40 -4.136 -12.047 -1.660 356 HD3 ARG 40 HD1 ARG 40 -3.874 -11.486 -0.010 357 HE ARG 40 HE ARG 40 -5.993 -13.171 0.223 358 HH11 ARG 40 HH11 ARG 40 -2.828 -13.488 -1.240 359 HH12 ARG 40 HH12 ARG 40 -2.677 -15.184 -0.841 360 HH21 ARG 40 HH21 ARG 40 -5.826 -15.383 0.714 361 HH22 ARG 40 HH22 ARG 40 -4.401 -16.264 0.260 362 H ASP 41 HN ASP 41 -8.043 -9.374 -1.612 363 HA ASP 41 HA ASP 41 -10.163 -8.793 -3.552 364 HB2 ASP 41 HB2 ASP 41 -10.990 -9.805 -1.518 365 HB3 ASP 41 HB1 ASP 41 -10.125 -8.627 -0.532 366 H GLY 42 HN GLY 42 -8.826 -7.103 -0.769 367 HA2 GLY 42 HA2 GLY 42 -8.646 -4.665 -2.398 368 HA3 GLY 42 HA1 GLY 42 -9.495 -4.649 -0.858 369 H GLU 43 HN GLU 43 -6.764 -6.685 -1.127 370 HA GLU 43 HA GLU 43 -5.278 -4.904 0.644 371 HB2 GLU 43 HB2 GLU 43 -4.227 -7.587 -0.135 372 HB3 GLU 43 HB1 GLU 43 -4.114 -6.743 1.405 373 HG2 GLU 43 HG2 GLU 43 -6.684 -7.167 1.492 374 HG3 GLU 43 HG1 GLU 43 -6.301 -8.436 0.327 375 H VAL 44 HN VAL 44 -4.098 -3.472 -0.400 376 HA VAL 44 HA VAL 44 -2.902 -4.132 -2.972 377 HB VAL 44 HB VAL 44 -2.306 -1.568 -1.587 378 HG11 VAL 44 HG11 VAL 44 -2.865 -2.370 -4.439 379 HG12 VAL 44 HG12 VAL 44 -1.298 -1.993 -3.718 380 HG13 VAL 44 HG13 VAL 44 -2.509 -0.725 -3.912 381 HG21 VAL 44 HG21 VAL 44 -4.405 -0.558 -2.304 382 HG22 VAL 44 HG22 VAL 44 -4.729 -1.904 -1.207 383 HG23 VAL 44 HG23 VAL 44 -4.956 -2.106 -2.944 384 H ILE 45 HN ILE 45 -0.803 -4.517 -3.246 385 HA ILE 45 HA ILE 45 0.826 -4.702 -0.801 386 HB ILE 45 HB ILE 45 0.840 -6.329 -3.339 387 HG12 ILE 45 HG12 ILE 45 0.587 -8.225 -1.778 388 HG13 ILE 45 HG11 ILE 45 0.604 -7.108 -0.418 389 HG21 ILE 45 HG21 ILE 45 2.827 -7.498 -2.443 390 HG22 ILE 45 HG22 ILE 45 2.931 -6.286 -1.165 391 HG23 ILE 45 HG23 ILE 45 3.145 -5.811 -2.851 392 HD11 ILE 45 HD11 ILE 45 -1.623 -7.906 -0.946 393 HD12 ILE 45 HD12 ILE 45 -1.484 -7.225 -2.569 394 HD13 ILE 45 HD13 ILE 45 -1.477 -6.161 -1.156 395 H LEU 46 HN LEU 46 2.338 -3.214 -0.716 396 HA LEU 46 HA LEU 46 3.334 -1.910 -3.153 397 HB2 LEU 46 HB2 LEU 46 3.918 -0.994 -0.358 398 HB3 LEU 46 HB1 LEU 46 3.812 -0.046 -1.830 399 HG LEU 46 HG LEU 46 1.443 -1.359 -0.525 400 HD11 LEU 46 HD11 LEU 46 2.393 0.275 0.998 401 HD12 LEU 46 HD12 LEU 46 0.902 0.906 0.299 402 HD13 LEU 46 HD13 LEU 46 2.463 1.475 -0.291 403 HD21 LEU 46 HD21 LEU 46 0.176 0.197 -1.942 404 HD22 LEU 46 HD22 LEU 46 1.166 -0.908 -2.896 405 HD23 LEU 46 HD23 LEU 46 1.684 0.761 -2.661 406 H LYS 47 HN LYS 47 5.263 -2.342 -3.841 407 HA LYS 47 HA LYS 47 7.086 -3.926 -2.134 408 HB2 LYS 47 HB2 LYS 47 5.943 -5.394 -3.526 409 HB3 LYS 47 HB1 LYS 47 5.951 -4.262 -4.863 410 HG2 LYS 47 HG2 LYS 47 8.477 -4.679 -4.934 411 HG3 LYS 47 HG1 LYS 47 8.107 -6.104 -3.945 412 HD2 LYS 47 HD2 LYS 47 6.998 -5.402 -6.657 413 HD3 LYS 47 HD1 LYS 47 8.015 -6.794 -6.241 414 HE2 LYS 47 HE2 LYS 47 6.198 -7.635 -4.791 415 HE3 LYS 47 HE1 LYS 47 5.207 -6.255 -5.265 416 HZ1 LYS 47 HZ1 LYS 47 4.698 -8.307 -6.500 417 HZ2 LYS 47 HZ2 LYS 47 6.258 -8.290 -7.160 418 HZ3 LYS 47 HZ3 LYS 47 5.172 -7.029 -7.512 419 H LYS 48 HN LYS 48 9.104 -3.151 -2.030 420 HA LYS 48 HA LYS 48 10.008 -0.739 -2.709 421 HB2 LYS 48 HB2 LYS 48 12.355 -1.895 -2.720 422 HB3 LYS 48 HB1 LYS 48 11.371 -1.800 -1.260 423 HG2 LYS 48 HG2 LYS 48 10.480 -4.118 -2.359 424 HG3 LYS 48 HG1 LYS 48 12.175 -4.116 -2.864 425 HD2 LYS 48 HD2 LYS 48 11.234 -3.688 -0.035 426 HD3 LYS 48 HD1 LYS 48 11.776 -5.243 -0.679 427 HE2 LYS 48 HE2 LYS 48 13.963 -4.208 -1.199 428 HE3 LYS 48 HE1 LYS 48 13.404 -2.712 -0.454 429 HZ1 LYS 48 HZ1 LYS 48 13.347 -3.696 1.646 430 HZ2 LYS 48 HZ2 LYS 48 14.779 -4.290 0.971 431 HZ3 LYS 48 HZ3 LYS 48 13.399 -5.271 1.031 432 H TYR 49 HN TYR 49 9.875 -3.248 -5.072 433 HA TYR 49 HA TYR 49 9.972 -3.125 -7.330 434 HB2 TYR 49 HB2 TYR 49 9.199 -0.870 -7.322 435 HB3 TYR 49 HB1 TYR 49 10.791 -0.286 -6.863 436 HD1 TYR 49 HD1 TYR 49 9.615 -2.618 -9.551 437 HD2 TYR 49 HD2 TYR 49 11.716 0.949 -8.573 438 HE1 TYR 49 HE1 TYR 49 10.183 -2.308 -11.924 439 HE2 TYR 49 HE2 TYR 49 12.291 1.267 -10.941 440 HH TYR 49 HH TYR 49 12.482 0.050 -12.981 441 H SER 50 HN SER 50 12.680 -1.281 -5.950 442 HA SER 50 HA SER 50 14.534 -1.603 -7.949 443 HB2 SER 50 HB2 SER 50 14.871 -0.072 -6.081 444 HB3 SER 50 HB1 SER 50 15.037 -1.428 -4.968 445 HG SER 50 HG SER 50 16.940 -0.244 -6.327 446 HA PRO 51 HA PRO 51 15.782 -5.903 -6.462 447 HB2 PRO 51 HB2 PRO 51 15.153 -6.872 -4.109 448 HB3 PRO 51 HB1 PRO 51 16.404 -5.627 -4.224 449 HG2 PRO 51 HG2 PRO 51 13.552 -5.383 -3.351 450 HG3 PRO 51 HG1 PRO 51 14.992 -4.570 -2.707 451 HD2 PRO 51 HD2 PRO 51 13.162 -3.504 -4.546 452 HD3 PRO 51 HD1 PRO 51 14.773 -2.857 -4.184 453 H ILE 52 HN ILE 52 12.870 -4.813 -6.900 454 HA ILE 52 HA ILE 52 10.724 -5.538 -7.111 455 HB ILE 52 HB ILE 52 11.754 -8.326 -7.542 456 HG12 ILE 52 HG12 ILE 52 12.157 -5.961 -9.386 457 HG13 ILE 52 HG11 ILE 52 13.420 -6.889 -8.569 458 HG21 ILE 52 HG21 ILE 52 10.057 -8.351 -9.280 459 HG22 ILE 52 HG22 ILE 52 9.768 -6.624 -9.066 460 HG23 ILE 52 HG23 ILE 52 9.327 -7.754 -7.789 461 HD11 ILE 52 HD11 ILE 52 13.228 -7.495 -10.922 462 HD12 ILE 52 HD12 ILE 52 11.538 -7.941 -10.677 463 HD13 ILE 52 HD13 ILE 52 12.817 -8.855 -9.877 464 H SER 53 HN SER 53 10.350 -8.604 -6.356 465 HA SER 53 HA SER 53 9.836 -8.050 -3.561 466 HB2 SER 53 HB2 SER 53 9.261 -10.518 -5.220 467 HB3 SER 53 HB1 SER 53 8.760 -10.287 -3.545 468 HG SER 53 HG SER 53 7.299 -8.841 -4.141 469 H GLU 54 HN GLU 54 11.789 -10.113 -5.590 470 HA GLU 54 HA GLU 54 13.278 -11.086 -3.246 471 HB2 GLU 54 HB2 GLU 54 11.798 -12.848 -3.864 472 HB3 GLU 54 HB1 GLU 54 12.137 -12.631 -5.570 473 HG2 GLU 54 HG2 GLU 54 14.474 -13.401 -5.114 474 HG3 GLU 54 HG1 GLU 54 13.945 -13.799 -3.477 475 H LEU 55 HN LEU 55 13.256 -10.775 -6.773 476 HA LEU 55 HA LEU 55 14.834 -10.229 -8.298 477 HB2 LEU 55 HB2 LEU 55 15.432 -8.569 -6.337 478 HB3 LEU 55 HB1 LEU 55 16.849 -9.586 -6.188 479 HG LEU 55 HG LEU 55 17.220 -7.545 -7.553 480 HD11 LEU 55 HD11 LEU 55 18.362 -8.643 -9.412 481 HD12 LEU 55 HD12 LEU 55 17.495 -10.139 -9.063 482 HD13 LEU 55 HD13 LEU 55 18.644 -9.490 -7.893 483 HD21 LEU 55 HD21 LEU 55 15.433 -8.866 -9.580 484 HD22 LEU 55 HD22 LEU 55 16.218 -7.290 -9.700 485 HD23 LEU 55 HD23 LEU 55 14.916 -7.546 -8.532 486 H1 MET 1 HT1 MET 1 -8.926 -5.624 -12.823 487 H2 MET 1 HT2 MET 1 -8.885 -6.494 -14.273 488 H3 MET 1 HT3 MET 1 -7.596 -5.467 -13.866 489 HA MET 1 HA MET 1 -8.383 -7.944 -12.446 490 HB2 MET 1 HB2 MET 1 -6.049 -7.243 -14.227 491 HB3 MET 1 HB1 MET 1 -6.051 -8.640 -13.164 492 HG2 MET 1 HG2 MET 1 -8.029 -8.146 -15.375 493 HG3 MET 1 HG1 MET 1 -6.616 -9.194 -15.485 494 HE1 MET 1 HE1 MET 1 -9.433 -10.285 -16.244 495 HE2 MET 1 HE2 MET 1 -9.444 -11.838 -15.405 496 HE3 MET 1 HE3 MET 1 -7.978 -11.280 -16.210 497 H LYS 2 HN LYS 2 -7.031 -8.495 -10.664 498 HA LYS 2 HA LYS 2 -5.890 -6.224 -9.286 499 HB2 LYS 2 HB2 LYS 2 -5.796 -7.557 -7.390 500 HB3 LYS 2 HB1 LYS 2 -7.145 -8.280 -8.251 501 HG2 LYS 2 HG2 LYS 2 -4.322 -9.303 -8.301 502 HG3 LYS 2 HG1 LYS 2 -5.603 -9.920 -7.260 503 HD2 LYS 2 HD2 LYS 2 -6.833 -10.743 -9.109 504 HD3 LYS 2 HD1 LYS 2 -5.841 -9.845 -10.259 505 HE2 LYS 2 HE2 LYS 2 -5.264 -12.210 -10.277 506 HE3 LYS 2 HE1 LYS 2 -3.918 -11.230 -9.694 507 HZ1 LYS 2 HZ1 LYS 2 -5.813 -12.529 -7.826 508 HZ2 LYS 2 HZ2 LYS 2 -4.245 -11.951 -7.517 509 HZ3 LYS 2 HZ3 LYS 2 -4.466 -13.354 -8.443 510 H ALA 3 HN ALA 3 -3.618 -7.242 -8.066 511 HA ALA 3 HA ALA 3 -1.372 -7.168 -8.418 512 HB1 ALA 3 HB1 ALA 3 -1.746 -9.530 -8.909 513 HB2 ALA 3 HB2 ALA 3 -0.449 -8.872 -9.906 514 HB3 ALA 3 HB3 ALA 3 -2.046 -9.137 -10.603 515 H THR 4 HN THR 4 -1.763 -4.944 -9.113 516 HA THR 4 HA THR 4 -1.996 -4.412 -11.911 517 HB THR 4 HB THR 4 -2.016 -2.022 -11.121 518 HG1 THR 4 HG1 THR 4 -0.938 -2.205 -9.146 519 HG21 THR 4 HG21 THR 4 -3.984 -3.934 -9.844 520 HG22 THR 4 HG22 THR 4 -4.074 -3.316 -11.498 521 HG23 THR 4 HG23 THR 4 -4.253 -2.212 -10.133 522 H GLY 5 HN GLY 5 0.509 -4.226 -9.497 523 HA2 GLY 5 HA2 GLY 5 2.774 -3.978 -9.692 524 HA3 GLY 5 HA1 GLY 5 2.576 -4.412 -11.378 525 H ILE 6 HN ILE 6 1.417 -1.592 -9.556 526 HA ILE 6 HA ILE 6 2.806 0.085 -11.527 527 HB ILE 6 HB ILE 6 0.578 0.732 -11.682 528 HG12 ILE 6 HG12 ILE 6 0.389 2.964 -10.644 529 HG13 ILE 6 HG11 ILE 6 1.745 2.584 -9.593 530 HG21 ILE 6 HG21 ILE 6 -0.333 -0.536 -9.857 531 HG22 ILE 6 HG22 ILE 6 -0.913 1.128 -9.769 532 HG23 ILE 6 HG23 ILE 6 0.367 0.582 -8.685 533 HD11 ILE 6 HD11 ILE 6 1.824 2.851 -12.589 534 HD12 ILE 6 HD12 ILE 6 3.190 2.392 -11.570 535 HD13 ILE 6 HD13 ILE 6 2.466 3.991 -11.403 536 H VAL 7 HN VAL 7 4.706 0.553 -10.805 537 HA VAL 7 HA VAL 7 5.360 0.753 -8.019 538 HB VAL 7 HB VAL 7 6.896 1.050 -10.568 539 HG11 VAL 7 HG11 VAL 7 8.894 1.662 -9.360 540 HG12 VAL 7 HG12 VAL 7 8.007 1.676 -7.836 541 HG13 VAL 7 HG13 VAL 7 7.651 2.884 -9.072 542 HG21 VAL 7 HG21 VAL 7 8.168 -0.792 -9.610 543 HG22 VAL 7 HG22 VAL 7 6.441 -1.166 -9.610 544 HG23 VAL 7 HG23 VAL 7 7.240 -0.674 -8.116 545 H ARG 8 HN ARG 8 5.510 2.534 -6.747 546 HA ARG 8 HA ARG 8 5.367 5.170 -7.975 547 HB2 ARG 8 HB2 ARG 8 3.249 5.366 -7.148 548 HB3 ARG 8 HB1 ARG 8 3.416 3.948 -6.131 549 HG2 ARG 8 HG2 ARG 8 2.944 5.934 -4.784 550 HG3 ARG 8 HG1 ARG 8 4.552 5.299 -4.408 551 HD2 ARG 8 HD2 ARG 8 4.606 7.711 -4.535 552 HD3 ARG 8 HD1 ARG 8 5.546 7.004 -5.854 553 HE ARG 8 HE ARG 8 3.359 7.439 -7.179 554 HH11 ARG 8 HH11 ARG 8 4.723 9.484 -4.666 555 HH12 ARG 8 HH12 ARG 8 4.070 10.955 -5.336 556 HH21 ARG 8 HH21 ARG 8 2.529 9.365 -8.068 557 HH22 ARG 8 HH22 ARG 8 2.835 10.880 -7.284 558 H ARG 9 HN ARG 9 7.231 6.123 -7.384 559 HA ARG 9 HA ARG 9 8.637 5.228 -5.034 560 HB2 ARG 9 HB2 ARG 9 9.663 6.191 -7.228 561 HB3 ARG 9 HB1 ARG 9 9.320 7.755 -6.472 562 HG2 ARG 9 HG2 ARG 9 10.731 7.351 -4.697 563 HG3 ARG 9 HG1 ARG 9 10.812 5.617 -5.023 564 HD2 ARG 9 HD2 ARG 9 12.866 6.523 -5.763 565 HD3 ARG 9 HD1 ARG 9 11.905 6.229 -7.215 566 HE ARG 9 HE ARG 9 11.817 8.906 -6.041 567 HH11 ARG 9 HH11 ARG 9 12.880 6.793 -8.627 568 HH12 ARG 9 HH12 ARG 9 13.478 8.092 -9.617 569 HH21 ARG 9 HH21 ARG 9 12.526 10.619 -7.372 570 HH22 ARG 9 HH22 ARG 9 13.244 10.279 -8.919 571 H ILE 10 HN ILE 10 7.811 5.680 -3.201 572 HA ILE 10 HA ILE 10 5.910 6.962 -2.146 573 HB ILE 10 HB ILE 10 7.567 7.946 -0.288 574 HG12 ILE 10 HG12 ILE 10 9.676 6.781 -0.204 575 HG13 ILE 10 HG11 ILE 10 9.241 5.776 -1.582 576 HG21 ILE 10 HG21 ILE 10 7.308 4.989 -0.629 577 HG22 ILE 10 HG22 ILE 10 5.899 6.004 -0.346 578 HG23 ILE 10 HG23 ILE 10 7.202 5.955 0.847 579 HD11 ILE 10 HD11 ILE 10 10.761 7.298 -2.434 580 HD12 ILE 10 HD12 ILE 10 10.065 8.645 -1.539 581 HD13 ILE 10 HD13 ILE 10 9.195 7.955 -2.913 582 H ASP 11 HN ASP 11 8.337 9.204 -1.269 583 HA ASP 11 HA ASP 11 8.317 11.307 -2.886 584 HB2 ASP 11 HB2 ASP 11 6.463 12.721 -2.493 585 HB3 ASP 11 HB1 ASP 11 5.749 11.129 -2.705 586 H ASP 12 HN ASP 12 7.906 13.504 -1.108 587 HA ASP 12 HA ASP 12 10.217 13.195 0.520 588 HB2 ASP 12 HB2 ASP 12 9.628 15.378 -0.428 589 HB3 ASP 12 HB1 ASP 12 8.146 15.400 0.525 590 H LEU 13 HN LEU 13 6.789 12.931 1.064 591 HA LEU 13 HA LEU 13 7.096 12.858 3.943 592 HB2 LEU 13 HB2 LEU 13 5.123 13.864 2.731 593 HB3 LEU 13 HB1 LEU 13 4.644 12.235 2.304 594 HG LEU 13 HG LEU 13 3.480 13.326 4.297 595 HD11 LEU 13 HD11 LEU 13 4.812 10.654 4.674 596 HD12 LEU 13 HD12 LEU 13 3.306 10.951 3.807 597 HD13 LEU 13 HD13 LEU 13 3.391 11.231 5.548 598 HD21 LEU 13 HD21 LEU 13 5.471 14.267 5.339 599 HD22 LEU 13 HD22 LEU 13 6.104 12.642 5.605 600 HD23 LEU 13 HD23 LEU 13 4.638 13.164 6.436 601 H GLY 14 HN GLY 14 5.867 10.583 1.460 602 HA2 GLY 14 HA2 GLY 14 7.011 8.326 1.639 603 HA3 GLY 14 HA1 GLY 14 6.552 8.407 3.338 604 H ARG 15 HN ARG 15 4.253 9.750 1.150 605 HA ARG 15 HA ARG 15 2.391 7.668 1.834 606 HB2 ARG 15 HB2 ARG 15 1.923 9.645 -0.369 607 HB3 ARG 15 HB1 ARG 15 0.738 8.803 0.613 608 HG2 ARG 15 HG2 ARG 15 0.581 10.719 1.713 609 HG3 ARG 15 HG1 ARG 15 2.111 10.247 2.469 610 HD2 ARG 15 HD2 ARG 15 3.351 11.643 1.180 611 HD3 ARG 15 HD1 ARG 15 2.240 11.523 -0.193 612 HE ARG 15 HE ARG 15 0.902 12.893 1.839 613 HH11 ARG 15 HH11 ARG 15 3.826 13.419 -0.040 614 HH12 ARG 15 HH12 ARG 15 3.561 15.133 -0.183 615 HH21 ARG 15 HH21 ARG 15 0.590 15.132 1.673 616 HH22 ARG 15 HH22 ARG 15 1.726 16.109 0.790 617 H VAL 16 HN VAL 16 1.418 6.217 0.433 618 HA VAL 16 HA VAL 16 2.810 5.855 -2.122 619 HB VAL 16 HB VAL 16 1.189 3.842 -0.553 620 HG11 VAL 16 HG11 VAL 16 2.637 3.556 -3.180 621 HG12 VAL 16 HG12 VAL 16 0.887 3.565 -2.958 622 HG13 VAL 16 HG13 VAL 16 1.856 2.252 -2.288 623 HG21 VAL 16 HG21 VAL 16 3.394 4.244 0.404 624 HG22 VAL 16 HG22 VAL 16 4.141 3.986 -1.171 625 HG23 VAL 16 HG23 VAL 16 3.332 2.651 -0.350 626 H VAL 17 HN VAL 17 1.776 7.064 -3.484 627 HA VAL 17 HA VAL 17 -0.917 7.859 -3.103 628 HB VAL 17 HB VAL 17 0.794 8.185 -5.569 629 HG11 VAL 17 HG11 VAL 17 -1.718 9.604 -4.693 630 HG12 VAL 17 HG12 VAL 17 -1.550 8.495 -6.060 631 HG13 VAL 17 HG13 VAL 17 -0.721 10.054 -6.081 632 HG21 VAL 17 HG21 VAL 17 1.184 10.482 -4.656 633 HG22 VAL 17 HG22 VAL 17 1.921 9.187 -3.715 634 HG23 VAL 17 HG23 VAL 17 0.436 9.953 -3.146 635 H ILE 18 HN ILE 18 -2.369 6.278 -3.188 636 HA ILE 18 HA ILE 18 -2.293 4.257 -5.261 637 HB ILE 18 HB ILE 18 -4.182 4.706 -2.936 638 HG12 ILE 18 HG12 ILE 18 -1.941 3.939 -2.316 639 HG13 ILE 18 HG11 ILE 18 -3.152 2.698 -2.011 640 HG21 ILE 18 HG21 ILE 18 -5.406 3.691 -4.776 641 HG22 ILE 18 HG22 ILE 18 -5.153 2.518 -3.484 642 HG23 ILE 18 HG23 ILE 18 -4.164 2.449 -4.944 643 HD11 ILE 18 HD11 ILE 18 -1.144 1.731 -2.938 644 HD12 ILE 18 HD12 ILE 18 -1.253 2.796 -4.339 645 HD13 ILE 18 HD13 ILE 18 -2.485 1.563 -4.073 646 HA PRO 19 HA PRO 19 -4.818 6.844 -7.987 647 HB2 PRO 19 HB2 PRO 19 -4.818 4.113 -9.202 648 HB3 PRO 19 HB1 PRO 19 -4.678 5.694 -9.991 649 HG2 PRO 19 HG2 PRO 19 -2.500 4.265 -9.644 650 HG3 PRO 19 HG1 PRO 19 -2.478 5.995 -9.237 651 HD2 PRO 19 HD2 PRO 19 -2.690 3.631 -7.411 652 HD3 PRO 19 HD1 PRO 19 -1.746 5.130 -7.211 653 H LYS 20 HN LYS 20 -6.951 7.056 -8.055 654 HA LYS 20 HA LYS 20 -8.542 5.655 -6.255 655 HB2 LYS 20 HB2 LYS 20 -10.481 6.811 -7.369 656 HB3 LYS 20 HB1 LYS 20 -9.225 7.850 -6.717 657 HG2 LYS 20 HG2 LYS 20 -9.340 7.069 -9.615 658 HG3 LYS 20 HG1 LYS 20 -10.168 8.486 -8.970 659 HD2 LYS 20 HD2 LYS 20 -7.213 7.945 -8.767 660 HD3 LYS 20 HD1 LYS 20 -7.965 9.024 -9.948 661 HE2 LYS 20 HE2 LYS 20 -7.912 9.334 -6.945 662 HE3 LYS 20 HE1 LYS 20 -7.086 10.340 -8.132 663 HZ1 LYS 20 HZ1 LYS 20 -9.398 10.869 -8.997 664 HZ2 LYS 20 HZ2 LYS 20 -8.966 11.544 -7.503 665 HZ3 LYS 20 HZ3 LYS 20 -9.982 10.193 -7.553 666 H GLU 21 HN GLU 21 -7.559 4.738 -9.341 667 HA GLU 21 HA GLU 21 -9.843 3.312 -10.183 668 HB2 GLU 21 HB2 GLU 21 -8.259 2.125 -11.691 669 HB3 GLU 21 HB1 GLU 21 -8.205 3.877 -11.795 670 HG2 GLU 21 HG2 GLU 21 -6.213 3.857 -10.339 671 HG3 GLU 21 HG1 GLU 21 -6.242 2.093 -10.396 672 H ILE 22 HN ILE 22 -7.539 2.557 -7.709 673 HA ILE 22 HA ILE 22 -8.099 -0.307 -7.968 674 HB ILE 22 HB ILE 22 -6.314 1.014 -5.900 675 HG12 ILE 22 HG12 ILE 22 -4.544 -0.288 -7.371 676 HG13 ILE 22 HG11 ILE 22 -5.757 -0.082 -8.629 677 HG21 ILE 22 HG21 ILE 22 -7.236 -1.153 -5.210 678 HG22 ILE 22 HG22 ILE 22 -5.501 -1.264 -5.496 679 HG23 ILE 22 HG23 ILE 22 -6.632 -1.889 -6.696 680 HD11 ILE 22 HD11 ILE 22 -4.065 1.661 -8.705 681 HD12 ILE 22 HD12 ILE 22 -4.481 2.140 -7.059 682 HD13 ILE 22 HD13 ILE 22 -5.665 2.321 -8.357 683 H ARG 23 HN ARG 23 -8.412 2.420 -5.758 684 HA ARG 23 HA ARG 23 -10.161 1.282 -3.874 685 HB2 ARG 23 HB2 ARG 23 -9.478 3.287 -3.080 686 HB3 ARG 23 HB1 ARG 23 -9.263 3.961 -4.683 687 HG2 ARG 23 HG2 ARG 23 -11.996 3.648 -3.510 688 HG3 ARG 23 HG1 ARG 23 -10.977 5.017 -3.081 689 HD2 ARG 23 HD2 ARG 23 -10.728 5.121 -5.734 690 HD3 ARG 23 HD1 ARG 23 -12.308 4.354 -5.630 691 HE ARG 23 HE ARG 23 -11.730 6.925 -4.297 692 HH11 ARG 23 HH11 ARG 23 -13.776 4.891 -6.274 693 HH12 ARG 23 HH12 ARG 23 -14.929 6.142 -6.609 694 HH21 ARG 23 HH21 ARG 23 -13.235 8.573 -4.697 695 HH22 ARG 23 HH22 ARG 23 -14.637 8.245 -5.685 696 H ARG 24 HN ARG 24 -10.618 2.595 -7.034 697 HA ARG 24 HA ARG 24 -13.385 2.645 -7.195 698 HB2 ARG 24 HB2 ARG 24 -12.067 3.623 -8.930 699 HB3 ARG 24 HB1 ARG 24 -11.256 2.099 -9.256 700 HG2 ARG 24 HG2 ARG 24 -13.377 1.170 -10.069 701 HG3 ARG 24 HG1 ARG 24 -14.138 2.748 -9.806 702 HD2 ARG 24 HD2 ARG 24 -12.367 3.729 -11.305 703 HD3 ARG 24 HD1 ARG 24 -11.898 2.078 -11.706 704 HE ARG 24 HE ARG 24 -14.376 1.894 -12.403 705 HH11 ARG 24 HH11 ARG 24 -12.297 4.694 -12.797 706 HH12 ARG 24 HH12 ARG 24 -13.194 5.329 -14.143 707 HH21 ARG 24 HH21 ARG 24 -15.567 2.736 -14.167 708 HH22 ARG 24 HH22 ARG 24 -15.059 4.225 -14.912 709 H THR 25 HN THR 25 -11.118 -0.036 -8.172 710 HA THR 25 HA THR 25 -13.170 -1.893 -8.596 711 HB THR 25 HB THR 25 -10.325 -2.464 -7.734 712 HG1 THR 25 HG1 THR 25 -9.931 -1.272 -9.487 713 HG21 THR 25 HG21 THR 25 -11.797 -4.419 -7.825 714 HG22 THR 25 HG22 THR 25 -10.592 -4.478 -9.112 715 HG23 THR 25 HG23 THR 25 -12.252 -4.009 -9.479 716 H LEU 26 HN LEU 26 -11.537 -0.746 -5.765 717 HA LEU 26 HA LEU 26 -12.190 -2.782 -3.936 718 HB2 LEU 26 HB2 LEU 26 -11.151 -0.070 -3.864 719 HB3 LEU 26 HB1 LEU 26 -12.245 -0.369 -2.523 720 HG LEU 26 HG LEU 26 -10.049 -0.832 -1.749 721 HD11 LEU 26 HD11 LEU 26 -11.369 -3.459 -2.392 722 HD12 LEU 26 HD12 LEU 26 -11.812 -2.390 -1.062 723 HD13 LEU 26 HD13 LEU 26 -10.218 -3.141 -1.095 724 HD21 LEU 26 HD21 LEU 26 -8.903 -1.091 -3.868 725 HD22 LEU 26 HD22 LEU 26 -9.746 -2.608 -4.176 726 HD23 LEU 26 HD23 LEU 26 -8.586 -2.496 -2.849 727 H ARG 27 HN ARG 27 -14.134 -0.475 -5.528 728 HA ARG 27 HA ARG 27 -16.308 0.147 -5.400 729 HB2 ARG 27 HB2 ARG 27 -16.273 -2.287 -3.745 730 HB3 ARG 27 HB1 ARG 27 -17.597 -1.183 -3.409 731 HG2 ARG 27 HG2 ARG 27 -18.304 -2.833 -5.007 732 HG3 ARG 27 HG1 ARG 27 -18.225 -1.255 -5.787 733 HD2 ARG 27 HD2 ARG 27 -17.313 -2.928 -7.264 734 HD3 ARG 27 HD1 ARG 27 -16.021 -1.864 -6.716 735 HE ARG 27 HE ARG 27 -15.072 -3.624 -5.563 736 HH11 ARG 27 HH11 ARG 27 -18.205 -4.560 -6.828 737 HH12 ARG 27 HH12 ARG 27 -17.959 -6.255 -6.528 738 HH21 ARG 27 HH21 ARG 27 -14.724 -5.860 -5.205 739 HH22 ARG 27 HH22 ARG 27 -15.968 -6.998 -5.634 740 H ILE 28 HN ILE 28 -14.070 1.115 -3.643 741 HA ILE 28 HA ILE 28 -15.685 2.362 -1.524 742 HB ILE 28 HB ILE 28 -12.697 2.079 -1.354 743 HG12 ILE 28 HG12 ILE 28 -14.784 0.089 -0.409 744 HG13 ILE 28 HG11 ILE 28 -13.676 -0.169 -1.752 745 HG21 ILE 28 HG21 ILE 28 -13.848 3.596 0.215 746 HG22 ILE 28 HG22 ILE 28 -13.176 2.201 1.058 747 HG23 ILE 28 HG23 ILE 28 -14.905 2.278 0.716 748 HD11 ILE 28 HD11 ILE 28 -12.965 -1.316 0.274 749 HD12 ILE 28 HD12 ILE 28 -12.876 0.233 1.116 750 HD13 ILE 28 HD13 ILE 28 -11.796 -0.100 -0.239 751 H ARG 29 HN ARG 29 -13.735 4.313 -0.833 752 HA ARG 29 HA ARG 29 -13.444 6.019 -3.120 753 HB2 ARG 29 HB2 ARG 29 -15.128 7.620 -2.635 754 HB3 ARG 29 HB1 ARG 29 -15.930 6.063 -2.552 755 HG2 ARG 29 HG2 ARG 29 -15.140 7.866 -0.278 756 HG3 ARG 29 HG1 ARG 29 -16.756 7.343 -0.749 757 HD2 ARG 29 HD2 ARG 29 -16.121 5.024 -0.145 758 HD3 ARG 29 HD1 ARG 29 -14.557 5.638 0.409 759 HE ARG 29 HE ARG 29 -16.043 7.071 1.965 760 HH11 ARG 29 HH11 ARG 29 -16.837 3.828 0.895 761 HH12 ARG 29 HH12 ARG 29 -17.646 3.391 2.376 762 HH21 ARG 29 HH21 ARG 29 -17.126 6.517 3.915 763 HH22 ARG 29 HH22 ARG 29 -17.823 4.929 4.090 764 H GLU 30 HN GLU 30 -13.609 8.461 -1.660 765 HA GLU 30 HA GLU 30 -11.047 8.484 -0.440 766 HB2 GLU 30 HB2 GLU 30 -13.229 10.530 -0.718 767 HB3 GLU 30 HB1 GLU 30 -11.738 10.871 0.153 768 HG2 GLU 30 HG2 GLU 30 -11.383 11.679 -1.993 769 HG3 GLU 30 HG1 GLU 30 -10.520 10.143 -1.922 770 H GLY 31 HN GLY 31 -12.986 6.751 0.826 771 HA2 GLY 31 HA2 GLY 31 -12.394 7.615 3.537 772 HA3 GLY 31 HA1 GLY 31 -14.070 7.202 3.172 773 H ASP 32 HN ASP 32 -11.379 5.637 1.634 774 HA ASP 32 HA ASP 32 -12.138 3.055 2.711 775 HB2 ASP 32 HB2 ASP 32 -11.558 3.202 0.364 776 HB3 ASP 32 HB1 ASP 32 -9.975 3.875 0.764 777 HA PRO 33 HA PRO 33 -9.118 3.502 5.937 778 HB2 PRO 33 HB2 PRO 33 -10.196 1.234 7.188 779 HB3 PRO 33 HB1 PRO 33 -10.554 2.928 7.571 780 HG2 PRO 33 HG2 PRO 33 -12.349 1.081 6.485 781 HG3 PRO 33 HG1 PRO 33 -12.557 2.839 6.499 782 HD2 PRO 33 HD2 PRO 33 -11.648 1.056 4.272 783 HD3 PRO 33 HD1 PRO 33 -12.569 2.578 4.223 784 H LEU 34 HN LEU 34 -7.663 2.426 4.065 785 HA LEU 34 HA LEU 34 -7.488 -0.354 4.180 786 HB2 LEU 34 HB2 LEU 34 -5.128 1.347 3.387 787 HB3 LEU 34 HB1 LEU 34 -5.561 -0.241 2.800 788 HG LEU 34 HG LEU 34 -7.654 1.031 1.832 789 HD11 LEU 34 HD11 LEU 34 -5.712 3.195 2.493 790 HD12 LEU 34 HD12 LEU 34 -7.480 3.204 2.531 791 HD13 LEU 34 HD13 LEU 34 -6.633 3.299 0.991 792 HD21 LEU 34 HD21 LEU 34 -6.429 1.345 -0.255 793 HD22 LEU 34 HD22 LEU 34 -5.985 -0.175 0.523 794 HD23 LEU 34 HD23 LEU 34 -4.900 1.213 0.616 795 H GLU 35 HN GLU 35 -5.816 -1.627 4.880 796 HA GLU 35 HA GLU 35 -4.749 -0.782 7.497 797 HB2 GLU 35 HB2 GLU 35 -6.285 -2.707 7.672 798 HB3 GLU 35 HB1 GLU 35 -5.275 -3.596 6.540 799 HG2 GLU 35 HG2 GLU 35 -3.419 -3.518 8.107 800 HG3 GLU 35 HG1 GLU 35 -4.420 -2.622 9.254 801 H ILE 36 HN ILE 36 -2.665 -0.290 7.420 802 HA ILE 36 HA ILE 36 -1.039 -1.299 5.244 803 HB ILE 36 HB ILE 36 -0.595 0.768 7.410 804 HG12 ILE 36 HG12 ILE 36 -0.214 2.236 5.363 805 HG13 ILE 36 HG11 ILE 36 -0.865 0.908 4.413 806 HG21 ILE 36 HG21 ILE 36 1.405 -0.195 5.378 807 HG22 ILE 36 HG22 ILE 36 1.509 -0.374 7.130 808 HG23 ILE 36 HG23 ILE 36 1.600 1.230 6.399 809 HD11 ILE 36 HD11 ILE 36 -2.655 2.359 4.731 810 HD12 ILE 36 HD12 ILE 36 -2.260 2.631 6.428 811 HD13 ILE 36 HD13 ILE 36 -2.919 1.073 5.911 812 H PHE 37 HN PHE 37 -0.232 -3.247 5.558 813 HA PHE 37 HA PHE 37 1.511 -3.610 7.823 814 HB2 PHE 37 HB2 PHE 37 0.564 -5.545 8.738 815 HB3 PHE 37 HB1 PHE 37 -0.808 -4.483 8.472 816 HD1 PHE 37 HD1 PHE 37 -2.410 -4.942 6.674 817 HD2 PHE 37 HD2 PHE 37 0.771 -7.621 7.582 818 HE1 PHE 37 HE1 PHE 37 -3.565 -6.731 5.443 819 HE2 PHE 37 HE2 PHE 37 -0.376 -9.410 6.345 820 HZ PHE 37 HZ PHE 37 -2.548 -8.968 5.277 821 H VAL 38 HN VAL 38 3.336 -4.503 7.165 822 HA VAL 38 HA VAL 38 3.485 -5.362 4.415 823 HB VAL 38 HB VAL 38 5.351 -4.076 4.946 824 HG11 VAL 38 HG11 VAL 38 5.637 -5.610 7.528 825 HG12 VAL 38 HG12 VAL 38 5.041 -3.959 7.354 826 HG13 VAL 38 HG13 VAL 38 6.722 -4.335 6.973 827 HG21 VAL 38 HG21 VAL 38 6.334 -6.896 5.411 828 HG22 VAL 38 HG22 VAL 38 7.318 -5.526 4.899 829 HG23 VAL 38 HG23 VAL 38 6.060 -6.155 3.834 830 H ASP 39 HN ASP 39 3.881 -7.295 3.638 831 HA ASP 39 HA ASP 39 2.971 -9.514 5.211 832 HB2 ASP 39 HB2 ASP 39 2.427 -9.075 2.772 833 HB3 ASP 39 HB1 ASP 39 4.083 -9.562 2.397 834 H ARG 40 HN ARG 40 5.871 -9.070 3.207 835 HA ARG 40 HA ARG 40 7.250 -10.940 4.991 836 HB2 ARG 40 HB2 ARG 40 8.686 -11.344 2.824 837 HB3 ARG 40 HB1 ARG 40 7.197 -12.228 3.120 838 HG2 ARG 40 HG2 ARG 40 6.674 -9.761 1.723 839 HG3 ARG 40 HG1 ARG 40 7.870 -10.749 0.867 840 HD2 ARG 40 HD2 ARG 40 5.174 -11.705 1.834 841 HD3 ARG 40 HD1 ARG 40 5.571 -11.281 0.170 842 HE ARG 40 HE ARG 40 7.336 -13.144 0.456 843 HH11 ARG 40 HH11 ARG 40 4.172 -13.140 1.977 844 HH12 ARG 40 HH12 ARG 40 4.026 -14.880 1.957 845 HH21 ARG 40 HH21 ARG 40 7.142 -15.433 0.444 846 HH22 ARG 40 HH22 ARG 40 5.704 -16.167 1.089 847 H ASP 41 HN ASP 41 8.797 -9.268 2.339 848 HA ASP 41 HA ASP 41 10.749 -8.290 4.255 849 HB2 ASP 41 HB2 ASP 41 11.576 -9.504 2.305 850 HB3 ASP 41 HB1 ASP 41 10.794 -8.337 1.236 851 H GLY 42 HN GLY 42 9.432 -6.894 1.282 852 HA2 GLY 42 HA2 GLY 42 9.097 -4.358 2.750 853 HA3 GLY 42 HA1 GLY 42 9.968 -4.402 1.225 854 H GLU 43 HN GLU 43 7.271 -6.503 1.607 855 HA GLU 43 HA GLU 43 5.747 -4.844 -0.247 856 HB2 GLU 43 HB2 GLU 43 4.647 -7.454 0.639 857 HB3 GLU 43 HB1 GLU 43 4.685 -6.727 -0.963 858 HG2 GLU 43 HG2 GLU 43 7.246 -7.214 -0.802 859 HG3 GLU 43 HG1 GLU 43 6.730 -8.393 0.408 860 H VAL 44 HN VAL 44 4.562 -3.347 0.765 861 HA VAL 44 HA VAL 44 3.365 -3.941 3.357 862 HB VAL 44 HB VAL 44 2.722 -1.442 1.862 863 HG11 VAL 44 HG11 VAL 44 1.651 -1.821 3.975 864 HG12 VAL 44 HG12 VAL 44 2.808 -0.502 4.150 865 HG13 VAL 44 HG13 VAL 44 3.202 -2.109 4.763 866 HG21 VAL 44 HG21 VAL 44 4.771 -0.356 2.671 867 HG22 VAL 44 HG22 VAL 44 5.148 -1.672 1.557 868 HG23 VAL 44 HG23 VAL 44 5.350 -1.901 3.294 869 H ILE 45 HN ILE 45 1.273 -4.424 3.650 870 HA ILE 45 HA ILE 45 -0.380 -4.656 1.221 871 HB ILE 45 HB ILE 45 -0.393 -6.217 3.807 872 HG12 ILE 45 HG12 ILE 45 -0.168 -8.157 2.275 873 HG13 ILE 45 HG11 ILE 45 -0.171 -7.059 0.902 874 HG21 ILE 45 HG21 ILE 45 -2.501 -6.154 1.649 875 HG22 ILE 45 HG22 ILE 45 -2.700 -5.734 3.353 876 HG23 ILE 45 HG23 ILE 45 -2.394 -7.408 2.884 877 HD11 ILE 45 HD11 ILE 45 2.052 -7.905 1.488 878 HD12 ILE 45 HD12 ILE 45 1.919 -7.097 3.052 879 HD13 ILE 45 HD13 ILE 45 1.929 -6.147 1.563 880 H LEU 46 HN LEU 46 -1.907 -3.168 1.120 881 HA LEU 46 HA LEU 46 -2.971 -1.943 3.586 882 HB2 LEU 46 HB2 LEU 46 -3.534 -0.790 0.906 883 HB3 LEU 46 HB1 LEU 46 -3.182 0.020 2.423 884 HG LEU 46 HG LEU 46 -1.063 -1.468 0.915 885 HD11 LEU 46 HD11 LEU 46 -2.053 0.190 -0.597 886 HD12 LEU 46 HD12 LEU 46 -0.421 0.651 -0.110 887 HD13 LEU 46 HD13 LEU 46 -1.817 1.442 0.624 888 HD21 LEU 46 HD21 LEU 46 0.425 0.001 2.160 889 HD22 LEU 46 HD22 LEU 46 -0.626 -0.903 3.253 890 HD23 LEU 46 HD23 LEU 46 -0.963 0.793 2.907 891 H LYS 47 HN LYS 47 -4.936 -2.774 4.157 892 HA LYS 47 HA LYS 47 -6.772 -3.344 1.934 893 HB2 LYS 47 HB2 LYS 47 -6.570 -5.503 2.311 894 HB3 LYS 47 HB1 LYS 47 -5.633 -5.225 3.765 895 HG2 LYS 47 HG2 LYS 47 -8.585 -4.948 3.882 896 HG3 LYS 47 HG1 LYS 47 -7.867 -6.560 3.826 897 HD2 LYS 47 HD2 LYS 47 -7.350 -4.391 5.855 898 HD3 LYS 47 HD1 LYS 47 -8.169 -5.951 6.113 899 HE2 LYS 47 HE2 LYS 47 -5.758 -6.728 5.070 900 HE3 LYS 47 HE1 LYS 47 -5.304 -5.301 6.005 901 HZ1 LYS 47 HZ1 LYS 47 -6.296 -6.261 7.960 902 HZ2 LYS 47 HZ2 LYS 47 -5.183 -7.365 7.307 903 HZ3 LYS 47 HZ3 LYS 47 -6.842 -7.607 7.080 904 H LYS 48 HN LYS 48 -8.893 -3.077 2.199 905 HA LYS 48 HA LYS 48 -9.745 -0.725 3.045 906 HB2 LYS 48 HB2 LYS 48 -12.067 -1.774 3.072 907 HB3 LYS 48 HB1 LYS 48 -11.097 -1.855 1.607 908 HG2 LYS 48 HG2 LYS 48 -10.338 -4.130 2.916 909 HG3 LYS 48 HG1 LYS 48 -12.042 -3.999 3.354 910 HD2 LYS 48 HD2 LYS 48 -11.079 -3.749 0.524 911 HD3 LYS 48 HD1 LYS 48 -11.467 -5.315 1.246 912 HE2 LYS 48 HE2 LYS 48 -13.739 -4.430 1.760 913 HE3 LYS 48 HE1 LYS 48 -13.321 -2.965 0.871 914 HZ1 LYS 48 HZ1 LYS 48 -14.573 -4.732 -0.398 915 HZ2 LYS 48 HZ2 LYS 48 -13.146 -5.659 -0.360 916 HZ3 LYS 48 HZ3 LYS 48 -13.162 -4.151 -1.125 917 H TYR 49 HN TYR 49 -9.429 -3.267 5.407 918 HA TYR 49 HA TYR 49 -9.597 -3.175 7.675 919 HB2 TYR 49 HB2 TYR 49 -8.890 -0.907 7.741 920 HB3 TYR 49 HB1 TYR 49 -10.481 -0.369 7.235 921 HD1 TYR 49 HD1 TYR 49 -9.149 -2.558 9.976 922 HD2 TYR 49 HD2 TYR 49 -11.690 0.675 8.877 923 HE1 TYR 49 HE1 TYR 49 -9.840 -2.307 12.324 924 HE2 TYR 49 HE2 TYR 49 -12.386 0.933 11.218 925 HH TYR 49 HH TYR 49 -12.508 -0.401 13.261 926 H SER 50 HN SER 50 -12.337 -1.527 6.137 927 HA SER 50 HA SER 50 -14.169 -1.751 8.176 928 HB2 SER 50 HB2 SER 50 -15.850 -1.694 6.102 929 HB3 SER 50 HB1 SER 50 -14.892 -0.290 6.574 930 HG SER 50 HG SER 50 -13.605 -0.561 4.876 931 HA PRO 51 HA PRO 51 -15.316 -6.177 6.998 932 HB2 PRO 51 HB2 PRO 51 -14.668 -7.315 4.745 933 HB3 PRO 51 HB1 PRO 51 -15.914 -6.055 4.726 934 HG2 PRO 51 HG2 PRO 51 -13.003 -5.850 3.998 935 HG3 PRO 51 HG1 PRO 51 -14.415 -5.212 3.128 936 HD2 PRO 51 HD2 PRO 51 -12.840 -3.760 4.875 937 HD3 PRO 51 HD1 PRO 51 -14.512 -3.354 4.444 938 H ILE 52 HN ILE 52 -12.486 -4.954 7.437 939 HA ILE 52 HA ILE 52 -10.297 -5.544 7.655 940 HB ILE 52 HB ILE 52 -11.189 -8.355 8.200 941 HG12 ILE 52 HG12 ILE 52 -11.626 -5.958 9.986 942 HG13 ILE 52 HG11 ILE 52 -12.882 -6.923 9.206 943 HG21 ILE 52 HG21 ILE 52 -9.463 -8.271 9.899 944 HG22 ILE 52 HG22 ILE 52 -9.245 -6.541 9.641 945 HG23 ILE 52 HG23 ILE 52 -8.777 -7.682 8.383 946 HD11 ILE 52 HD11 ILE 52 -10.956 -7.904 11.310 947 HD12 ILE 52 HD12 ILE 52 -12.232 -8.852 10.546 948 HD13 ILE 52 HD13 ILE 52 -12.647 -7.476 11.566 949 H SER 53 HN SER 53 -9.799 -8.625 7.015 950 HA SER 53 HA SER 53 -9.585 -8.124 4.155 951 HB2 SER 53 HB2 SER 53 -7.818 -10.119 4.506 952 HB3 SER 53 HB1 SER 53 -7.392 -8.415 4.693 953 HG SER 53 HG SER 53 -6.734 -9.755 6.472 954 H GLU 54 HN GLU 54 -11.808 -9.300 5.737 955 HA GLU 54 HA GLU 54 -12.676 -11.357 4.073 956 HB2 GLU 54 HB2 GLU 54 -10.799 -12.636 5.053 957 HB3 GLU 54 HB1 GLU 54 -11.476 -12.383 6.654 958 HG2 GLU 54 HG2 GLU 54 -13.420 -13.693 6.080 959 HG3 GLU 54 HG1 GLU 54 -12.837 -13.876 4.425 960 H LEU 55 HN LEU 55 -12.584 -10.657 7.540 961 HA LEU 55 HA LEU 55 -14.169 -10.263 9.103 962 HB2 LEU 55 HB2 LEU 55 -15.110 -8.865 6.990 963 HB3 LEU 55 HB1 LEU 55 -16.412 -10.021 7.177 964 HG LEU 55 HG LEU 55 -16.955 -7.983 8.357 965 HD11 LEU 55 HD11 LEU 55 -17.317 -8.850 10.624 966 HD12 LEU 55 HD12 LEU 55 -16.239 -10.199 10.270 967 HD13 LEU 55 HD13 LEU 55 -17.754 -10.023 9.383 968 HD21 LEU 55 HD21 LEU 55 -14.383 -8.430 9.859 969 HD22 LEU 55 HD22 LEU 55 -15.594 -7.204 10.243 970 HD23 LEU 55 HD23 LEU 55 -14.718 -7.133 8.713 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 4.871 -14.416 10.368 2 H2 MET 1 HT2 MET 1 4.271 -12.931 9.812 3 H3 MET 1 HT3 MET 1 4.627 -13.138 11.457 4 HA MET 1 HA MET 1 6.964 -13.425 10.935 5 HB2 MET 1 HB2 MET 1 6.718 -14.300 8.672 6 HB3 MET 1 HB1 MET 1 6.028 -12.777 8.131 7 HG2 MET 1 HG2 MET 1 8.162 -11.661 8.649 8 HG3 MET 1 HG1 MET 1 8.846 -13.224 9.087 9 HE1 MET 1 HE1 MET 1 10.037 -11.153 6.876 10 HE2 MET 1 HE2 MET 1 10.561 -12.317 5.658 11 HE3 MET 1 HE3 MET 1 10.822 -12.654 7.369 12 H LYS 2 HN LYS 2 5.000 -11.029 9.132 13 HA LYS 2 HA LYS 2 6.610 -8.926 10.422 14 HB2 LYS 2 HB2 LYS 2 5.326 -9.034 7.709 15 HB3 LYS 2 HB1 LYS 2 5.934 -7.538 8.406 16 HG2 LYS 2 HG2 LYS 2 7.539 -10.009 7.783 17 HG3 LYS 2 HG1 LYS 2 7.555 -8.485 6.891 18 HD2 LYS 2 HD2 LYS 2 8.420 -8.888 9.754 19 HD3 LYS 2 HD1 LYS 2 9.485 -8.641 8.368 20 HE2 LYS 2 HE2 LYS 2 8.475 -6.432 8.008 21 HE3 LYS 2 HE1 LYS 2 7.439 -6.684 9.416 22 HZ1 LYS 2 HZ1 LYS 2 9.459 -5.336 9.858 23 HZ2 LYS 2 HZ2 LYS 2 10.414 -6.694 9.523 24 HZ3 LYS 2 HZ3 LYS 2 9.339 -6.712 10.836 25 H ALA 3 HN ALA 3 4.252 -7.613 8.655 26 HA ALA 3 HA ALA 3 2.277 -6.600 8.971 27 HB1 ALA 3 HB1 ALA 3 1.928 -8.366 11.385 28 HB2 ALA 3 HB2 ALA 3 1.430 -8.764 9.740 29 HB3 ALA 3 HB3 ALA 3 0.671 -7.418 10.592 30 H THR 4 HN THR 4 1.505 -4.806 9.888 31 HA THR 4 HA THR 4 2.780 -3.811 12.324 32 HB THR 4 HB THR 4 2.736 -1.528 11.233 33 HG1 THR 4 HG1 THR 4 3.035 -2.257 8.739 34 HG21 THR 4 HG21 THR 4 4.558 -3.596 9.994 35 HG22 THR 4 HG22 THR 4 4.816 -2.822 11.559 36 HG23 THR 4 HG23 THR 4 4.859 -1.860 10.081 37 H GLY 5 HN GLY 5 0.234 -2.985 9.969 38 HA2 GLY 5 HA2 GLY 5 -2.074 -3.010 10.374 39 HA3 GLY 5 HA1 GLY 5 -1.723 -3.268 12.085 40 H ILE 6 HN ILE 6 -0.759 -0.734 9.798 41 HA ILE 6 HA ILE 6 -2.117 1.202 11.543 42 HB ILE 6 HB ILE 6 0.102 1.926 11.391 43 HG12 ILE 6 HG12 ILE 6 0.065 3.962 9.972 44 HG13 ILE 6 HG11 ILE 6 -1.384 3.353 9.178 45 HG21 ILE 6 HG21 ILE 6 0.061 1.329 8.443 46 HG22 ILE 6 HG22 ILE 6 0.892 0.404 9.692 47 HG23 ILE 6 HG23 ILE 6 1.407 2.050 9.324 48 HD11 ILE 6 HD11 ILE 6 -2.015 4.985 10.802 49 HD12 ILE 6 HD12 ILE 6 -1.100 4.149 12.062 50 HD13 ILE 6 HD13 ILE 6 -2.537 3.396 11.368 51 H VAL 7 HN VAL 7 -4.117 1.567 10.858 52 HA VAL 7 HA VAL 7 -4.798 1.251 8.061 53 HB VAL 7 HB VAL 7 -6.456 1.818 10.501 54 HG11 VAL 7 HG11 VAL 7 -8.439 1.840 9.078 55 HG12 VAL 7 HG12 VAL 7 -7.424 1.708 7.641 56 HG13 VAL 7 HG13 VAL 7 -7.357 3.164 8.635 57 HG21 VAL 7 HG21 VAL 7 -7.490 -0.322 9.851 58 HG22 VAL 7 HG22 VAL 7 -5.760 -0.471 10.164 59 HG23 VAL 7 HG23 VAL 7 -6.356 -0.436 8.503 60 H ARG 8 HN ARG 8 -5.319 2.825 6.594 61 HA ARG 8 HA ARG 8 -5.040 5.614 7.409 62 HB2 ARG 8 HB2 ARG 8 -2.961 5.285 6.397 63 HB3 ARG 8 HB1 ARG 8 -3.542 3.962 5.417 64 HG2 ARG 8 HG2 ARG 8 -2.868 5.874 4.055 65 HG3 ARG 8 HG1 ARG 8 -4.581 5.505 3.862 66 HD2 ARG 8 HD2 ARG 8 -5.211 7.323 5.205 67 HD3 ARG 8 HD1 ARG 8 -3.548 7.620 5.722 68 HE ARG 8 HE ARG 8 -4.043 7.868 2.876 69 HH11 ARG 8 HH11 ARG 8 -3.887 9.495 5.978 70 HH12 ARG 8 HH12 ARG 8 -3.688 11.076 5.284 71 HH21 ARG 8 HH21 ARG 8 -3.799 9.967 1.969 72 HH22 ARG 8 HH22 ARG 8 -3.638 11.343 3.021 73 H ARG 9 HN ARG 9 -7.081 6.464 6.929 74 HA ARG 9 HA ARG 9 -8.668 5.332 4.775 75 HB2 ARG 9 HB2 ARG 9 -9.584 6.429 6.953 76 HB3 ARG 9 HB1 ARG 9 -9.274 7.952 6.115 77 HG2 ARG 9 HG2 ARG 9 -11.305 7.739 5.269 78 HG3 ARG 9 HG1 ARG 9 -10.621 6.474 4.243 79 HD2 ARG 9 HD2 ARG 9 -12.449 5.426 5.205 80 HD3 ARG 9 HD1 ARG 9 -11.112 4.910 6.231 81 HE ARG 9 HE ARG 9 -12.192 7.226 7.353 82 HH11 ARG 9 HH11 ARG 9 -13.177 3.937 6.694 83 HH12 ARG 9 HH12 ARG 9 -14.311 3.874 8.008 84 HH21 ARG 9 HH21 ARG 9 -13.689 7.143 9.083 85 HH22 ARG 9 HH22 ARG 9 -14.605 5.690 9.354 86 H ILE 10 HN ILE 10 -7.889 5.689 2.835 87 HA ILE 10 HA ILE 10 -6.101 7.056 1.667 88 HB ILE 10 HB ILE 10 -7.816 7.734 -0.246 89 HG12 ILE 10 HG12 ILE 10 -9.853 6.476 -0.245 90 HG13 ILE 10 HG11 ILE 10 -9.347 5.536 1.157 91 HG21 ILE 10 HG21 ILE 10 -7.630 5.358 -0.991 92 HG22 ILE 10 HG22 ILE 10 -6.937 4.993 0.594 93 HG23 ILE 10 HG23 ILE 10 -6.117 6.114 -0.493 94 HD11 ILE 10 HD11 ILE 10 -9.477 7.670 2.482 95 HD12 ILE 10 HD12 ILE 10 -11.003 6.996 1.909 96 HD13 ILE 10 HD13 ILE 10 -10.288 8.376 1.080 97 H ASP 11 HN ASP 11 -8.618 9.066 0.561 98 HA ASP 11 HA ASP 11 -8.902 11.180 2.131 99 HB2 ASP 11 HB2 ASP 11 -7.163 12.786 1.800 100 HB3 ASP 11 HB1 ASP 11 -6.356 11.293 2.249 101 H ASP 12 HN ASP 12 -8.599 13.379 0.467 102 HA ASP 12 HA ASP 12 -10.650 12.842 -1.432 103 HB2 ASP 12 HB2 ASP 12 -8.979 15.294 -0.881 104 HB3 ASP 12 HB1 ASP 12 -10.250 15.253 -2.101 105 H LEU 13 HN LEU 13 -7.324 12.446 -1.545 106 HA LEU 13 HA LEU 13 -7.325 12.511 -4.482 107 HB2 LEU 13 HB2 LEU 13 -5.565 13.763 -3.080 108 HB3 LEU 13 HB1 LEU 13 -4.906 12.179 -2.733 109 HG LEU 13 HG LEU 13 -3.718 13.362 -4.549 110 HD11 LEU 13 HD11 LEU 13 -3.743 11.501 -6.182 111 HD12 LEU 13 HD12 LEU 13 -5.134 10.822 -5.328 112 HD13 LEU 13 HD13 LEU 13 -3.580 10.974 -4.507 113 HD21 LEU 13 HD21 LEU 13 -5.646 14.555 -5.469 114 HD22 LEU 13 HD22 LEU 13 -6.291 13.031 -6.077 115 HD23 LEU 13 HD23 LEU 13 -4.769 13.661 -6.710 116 H GLY 14 HN GLY 14 -5.890 10.527 -1.848 117 HA2 GLY 14 HA2 GLY 14 -6.866 8.172 -1.897 118 HA3 GLY 14 HA1 GLY 14 -6.328 8.185 -3.572 119 H ARG 15 HN ARG 15 -4.347 9.774 -1.176 120 HA ARG 15 HA ARG 15 -2.237 7.881 -1.774 121 HB2 ARG 15 HB2 ARG 15 -2.118 10.083 0.271 122 HB3 ARG 15 HB1 ARG 15 -0.768 9.230 -0.460 123 HG2 ARG 15 HG2 ARG 15 -0.616 10.949 -1.826 124 HG3 ARG 15 HG1 ARG 15 -2.086 10.338 -2.608 125 HD2 ARG 15 HD2 ARG 15 -3.467 11.741 -1.389 126 HD3 ARG 15 HD1 ARG 15 -2.234 12.021 -0.151 127 HE ARG 15 HE ARG 15 -1.139 13.069 -2.425 128 HH11 ARG 15 HH11 ARG 15 -4.191 13.597 -0.754 129 HH12 ARG 15 HH12 ARG 15 -4.292 15.262 -1.229 130 HH21 ARG 15 HH21 ARG 15 -1.299 15.242 -3.061 131 HH22 ARG 15 HH22 ARG 15 -2.667 16.195 -2.567 132 H VAL 16 HN VAL 16 -1.228 6.526 -0.362 133 HA VAL 16 HA VAL 16 -2.486 6.190 2.277 134 HB VAL 16 HB VAL 16 -0.813 4.263 0.639 135 HG11 VAL 16 HG11 VAL 16 -0.265 4.030 2.981 136 HG12 VAL 16 HG12 VAL 16 -1.239 2.656 2.454 137 HG13 VAL 16 HG13 VAL 16 -1.976 3.950 3.400 138 HG21 VAL 16 HG21 VAL 16 -3.095 4.440 -0.151 139 HG22 VAL 16 HG22 VAL 16 -3.709 4.205 1.485 140 HG23 VAL 16 HG23 VAL 16 -2.866 2.891 0.661 141 H VAL 17 HN VAL 17 -1.423 7.565 3.519 142 HA VAL 17 HA VAL 17 1.259 8.357 3.070 143 HB VAL 17 HB VAL 17 -0.423 8.717 5.560 144 HG11 VAL 17 HG11 VAL 17 1.081 10.591 6.043 145 HG12 VAL 17 HG12 VAL 17 2.051 10.167 4.631 146 HG13 VAL 17 HG13 VAL 17 1.939 9.049 5.994 147 HG21 VAL 17 HG21 VAL 17 -0.787 11.024 4.590 148 HG22 VAL 17 HG22 VAL 17 -1.617 9.698 3.776 149 HG23 VAL 17 HG23 VAL 17 -0.153 10.391 3.065 150 H ILE 18 HN ILE 18 2.774 6.807 3.233 151 HA ILE 18 HA ILE 18 2.614 4.860 5.389 152 HB ILE 18 HB ILE 18 4.188 4.983 2.820 153 HG12 ILE 18 HG12 ILE 18 2.272 3.015 4.099 154 HG13 ILE 18 HG11 ILE 18 2.006 3.997 2.662 155 HG21 ILE 18 HG21 ILE 18 5.823 4.343 4.504 156 HG22 ILE 18 HG22 ILE 18 5.386 2.937 3.530 157 HG23 ILE 18 HG23 ILE 18 4.722 3.128 5.153 158 HD11 ILE 18 HD11 ILE 18 3.705 2.718 1.473 159 HD12 ILE 18 HD12 ILE 18 2.423 1.676 2.088 160 HD13 ILE 18 HD13 ILE 18 3.980 1.740 2.915 161 HA PRO 19 HA PRO 19 5.366 7.373 7.916 162 HB2 PRO 19 HB2 PRO 19 5.307 4.689 9.213 163 HB3 PRO 19 HB1 PRO 19 5.252 6.298 9.950 164 HG2 PRO 19 HG2 PRO 19 3.019 4.912 9.701 165 HG3 PRO 19 HG1 PRO 19 3.034 6.642 9.298 166 HD2 PRO 19 HD2 PRO 19 3.032 4.276 7.469 167 HD3 PRO 19 HD1 PRO 19 2.210 5.845 7.292 168 H LYS 20 HN LYS 20 7.563 7.319 8.333 169 HA LYS 20 HA LYS 20 9.139 5.913 6.459 170 HB2 LYS 20 HB2 LYS 20 11.052 6.794 8.037 171 HB3 LYS 20 HB1 LYS 20 10.184 7.868 6.955 172 HG2 LYS 20 HG2 LYS 20 9.307 7.507 9.797 173 HG3 LYS 20 HG1 LYS 20 10.603 8.628 9.368 174 HD2 LYS 20 HD2 LYS 20 7.807 8.648 8.228 175 HD3 LYS 20 HD1 LYS 20 8.416 9.753 9.468 176 HE2 LYS 20 HE2 LYS 20 10.062 10.643 7.930 177 HE3 LYS 20 HE1 LYS 20 9.597 9.471 6.702 178 HZ1 LYS 20 HZ1 LYS 20 8.693 11.791 6.460 179 HZ2 LYS 20 HZ2 LYS 20 7.693 11.460 7.788 180 HZ3 LYS 20 HZ3 LYS 20 7.556 10.540 6.370 181 H GLU 21 HN GLU 21 7.905 4.982 9.472 182 HA GLU 21 HA GLU 21 10.001 3.382 10.431 183 HB2 GLU 21 HB2 GLU 21 8.335 2.266 11.798 184 HB3 GLU 21 HB1 GLU 21 8.079 4.003 11.805 185 HG2 GLU 21 HG2 GLU 21 6.296 3.718 10.143 186 HG3 GLU 21 HG1 GLU 21 6.529 1.973 10.226 187 H ILE 22 HN ILE 22 7.865 2.871 7.751 188 HA ILE 22 HA ILE 22 8.232 -0.025 7.837 189 HB ILE 22 HB ILE 22 6.734 1.644 5.799 190 HG12 ILE 22 HG12 ILE 22 4.813 0.220 7.031 191 HG13 ILE 22 HG11 ILE 22 5.950 0.380 8.365 192 HG21 ILE 22 HG21 ILE 22 7.551 -0.456 4.878 193 HG22 ILE 22 HG22 ILE 22 5.796 -0.487 5.049 194 HG23 ILE 22 HG23 ILE 22 6.810 -1.341 6.213 195 HD11 ILE 22 HD11 ILE 22 4.269 2.126 8.417 196 HD12 ILE 22 HD12 ILE 22 4.753 2.648 6.803 197 HD13 ILE 22 HD13 ILE 22 5.880 2.795 8.152 198 H ARG 23 HN ARG 23 8.872 2.766 5.780 199 HA ARG 23 HA ARG 23 10.627 1.546 3.951 200 HB2 ARG 23 HB2 ARG 23 10.146 3.572 3.098 201 HB3 ARG 23 HB1 ARG 23 9.717 4.219 4.667 202 HG2 ARG 23 HG2 ARG 23 12.558 3.984 3.724 203 HG3 ARG 23 HG1 ARG 23 11.557 5.398 3.411 204 HD2 ARG 23 HD2 ARG 23 11.214 5.005 6.094 205 HD3 ARG 23 HD1 ARG 23 12.888 4.530 5.848 206 HE ARG 23 HE ARG 23 12.042 7.118 4.765 207 HH11 ARG 23 HH11 ARG 23 13.809 5.305 7.192 208 HH12 ARG 23 HH12 ARG 23 14.574 6.704 7.877 209 HH21 ARG 23 HH21 ARG 23 13.048 8.963 5.638 210 HH22 ARG 23 HH22 ARG 23 14.128 8.793 6.998 211 H ARG 24 HN ARG 24 10.993 2.741 7.161 212 HA ARG 24 HA ARG 24 13.756 2.703 7.405 213 HB2 ARG 24 HB2 ARG 24 12.313 3.680 9.088 214 HB3 ARG 24 HB1 ARG 24 11.656 2.098 9.483 215 HG2 ARG 24 HG2 ARG 24 13.997 1.422 10.095 216 HG3 ARG 24 HG1 ARG 24 14.430 3.129 9.965 217 HD2 ARG 24 HD2 ARG 24 13.961 2.842 12.241 218 HD3 ARG 24 HD1 ARG 24 12.479 3.542 11.581 219 HE ARG 24 HE ARG 24 12.730 0.624 11.916 220 HH11 ARG 24 HH11 ARG 24 11.148 3.652 12.715 221 HH12 ARG 24 HH12 ARG 24 9.806 2.886 13.509 222 HH21 ARG 24 HH21 ARG 24 10.962 -0.377 12.964 223 HH22 ARG 24 HH22 ARG 24 9.698 0.600 13.653 224 H THR 25 HN THR 25 11.381 0.089 8.321 225 HA THR 25 HA THR 25 13.312 -1.865 8.713 226 HB THR 25 HB THR 25 10.477 -2.231 7.709 227 HG1 THR 25 HG1 THR 25 10.269 -1.004 9.530 228 HG21 THR 25 HG21 THR 25 12.251 -3.996 9.411 229 HG22 THR 25 HG22 THR 25 11.850 -4.272 7.716 230 HG23 THR 25 HG23 THR 25 10.586 -4.344 8.944 231 H LEU 26 HN LEU 26 11.793 -0.639 5.805 232 HA LEU 26 HA LEU 26 12.686 -2.577 3.966 233 HB2 LEU 26 HB2 LEU 26 11.698 0.200 3.868 234 HB3 LEU 26 HB1 LEU 26 12.766 -0.232 2.542 235 HG LEU 26 HG LEU 26 10.484 -0.555 1.853 236 HD11 LEU 26 HD11 LEU 26 10.541 -2.900 1.216 237 HD12 LEU 26 HD12 LEU 26 11.815 -3.196 2.399 238 HD13 LEU 26 HD13 LEU 26 12.118 -2.137 1.020 239 HD21 LEU 26 HD21 LEU 26 9.426 -0.834 4.019 240 HD22 LEU 26 HD22 LEU 26 10.220 -2.395 4.229 241 HD23 LEU 26 HD23 LEU 26 9.016 -2.180 2.957 242 H ARG 27 HN ARG 27 14.305 -0.224 5.789 243 HA ARG 27 HA ARG 27 16.460 0.386 6.057 244 HB2 ARG 27 HB2 ARG 27 16.720 -2.159 5.064 245 HB3 ARG 27 HB1 ARG 27 17.636 -1.211 3.899 246 HG2 ARG 27 HG2 ARG 27 19.151 -1.936 5.579 247 HG3 ARG 27 HG1 ARG 27 18.882 -0.209 5.827 248 HD2 ARG 27 HD2 ARG 27 17.062 -0.918 7.479 249 HD3 ARG 27 HD1 ARG 27 17.785 -2.523 7.394 250 HE ARG 27 HE ARG 27 19.466 -0.220 8.114 251 HH11 ARG 27 HH11 ARG 27 18.019 -3.302 8.925 252 HH12 ARG 27 HH12 ARG 27 18.837 -3.440 10.450 253 HH21 ARG 27 HH21 ARG 27 20.567 -0.396 10.128 254 HH22 ARG 27 HH22 ARG 27 20.286 -1.780 11.143 255 H ILE 28 HN ILE 28 14.586 1.426 4.034 256 HA ILE 28 HA ILE 28 16.518 2.764 2.254 257 HB ILE 28 HB ILE 28 13.618 2.331 1.536 258 HG12 ILE 28 HG12 ILE 28 15.953 0.478 0.952 259 HG13 ILE 28 HG11 ILE 28 14.646 0.136 2.076 260 HG21 ILE 28 HG21 ILE 28 14.701 2.351 -0.792 261 HG22 ILE 28 HG22 ILE 28 16.158 2.937 0.010 262 HG23 ILE 28 HG23 ILE 28 14.671 3.881 0.074 263 HD11 ILE 28 HD11 ILE 28 13.065 0.044 0.281 264 HD12 ILE 28 HD12 ILE 28 14.428 -1.017 -0.083 265 HD13 ILE 28 HD13 ILE 28 14.293 0.553 -0.879 266 H ARG 29 HN ARG 29 14.737 4.748 1.298 267 HA ARG 29 HA ARG 29 13.850 6.181 3.659 268 HB2 ARG 29 HB2 ARG 29 15.268 8.175 2.953 269 HB3 ARG 29 HB1 ARG 29 16.105 6.836 3.723 270 HG2 ARG 29 HG2 ARG 29 17.430 7.589 1.891 271 HG3 ARG 29 HG1 ARG 29 16.749 6.017 1.467 272 HD2 ARG 29 HD2 ARG 29 14.961 7.169 0.212 273 HD3 ARG 29 HD1 ARG 29 15.749 8.710 0.564 274 HE ARG 29 HE ARG 29 17.327 6.659 -0.803 275 HH11 ARG 29 HH11 ARG 29 15.534 9.666 -0.987 276 HH12 ARG 29 HH12 ARG 29 16.246 10.156 -2.496 277 HH21 ARG 29 HH21 ARG 29 18.249 7.294 -2.805 278 HH22 ARG 29 HH22 ARG 29 17.778 8.798 -3.525 279 H GLU 30 HN GLU 30 13.868 8.721 2.393 280 HA GLU 30 HA GLU 30 11.365 8.594 1.047 281 HB2 GLU 30 HB2 GLU 30 13.265 10.773 1.820 282 HB3 GLU 30 HB1 GLU 30 11.910 11.125 0.750 283 HG2 GLU 30 HG2 GLU 30 11.231 11.603 2.978 284 HG3 GLU 30 HG1 GLU 30 10.402 10.148 2.422 285 H GLY 31 HN GLY 31 12.977 7.092 -0.367 286 HA2 GLY 31 HA2 GLY 31 12.571 8.126 -2.997 287 HA3 GLY 31 HA1 GLY 31 14.293 7.961 -2.608 288 H ASP 32 HN ASP 32 12.010 5.915 -1.089 289 HA ASP 32 HA ASP 32 12.977 3.547 -2.483 290 HB2 ASP 32 HB2 ASP 32 12.703 3.468 -0.037 291 HB3 ASP 32 HB1 ASP 32 11.002 3.891 -0.205 292 HA PRO 33 HA PRO 33 9.331 3.650 -5.036 293 HB2 PRO 33 HB2 PRO 33 10.175 1.359 -6.423 294 HB3 PRO 33 HB1 PRO 33 10.382 3.035 -6.934 295 HG2 PRO 33 HG2 PRO 33 12.430 1.263 -6.194 296 HG3 PRO 33 HG1 PRO 33 12.578 3.014 -6.404 297 HD2 PRO 33 HD2 PRO 33 12.321 1.423 -3.901 298 HD3 PRO 33 HD1 PRO 33 13.129 2.983 -4.176 299 H LEU 34 HN LEU 34 7.459 2.386 -5.157 300 HA LEU 34 HA LEU 34 7.640 -0.299 -4.085 301 HB2 LEU 34 HB2 LEU 34 5.367 1.481 -3.240 302 HB3 LEU 34 HB1 LEU 34 5.846 -0.075 -2.576 303 HG LEU 34 HG LEU 34 8.028 1.692 -2.224 304 HD11 LEU 34 HD11 LEU 34 6.503 3.546 -2.499 305 HD12 LEU 34 HD12 LEU 34 7.003 3.414 -0.813 306 HD13 LEU 34 HD13 LEU 34 5.406 2.853 -1.305 307 HD21 LEU 34 HD21 LEU 34 6.029 0.578 -0.256 308 HD22 LEU 34 HD22 LEU 34 7.619 1.230 0.141 309 HD23 LEU 34 HD23 LEU 34 7.485 -0.237 -0.829 310 H GLU 35 HN GLU 35 5.944 -1.584 -4.702 311 HA GLU 35 HA GLU 35 4.757 -0.720 -7.267 312 HB2 GLU 35 HB2 GLU 35 6.395 -2.488 -7.688 313 HB3 GLU 35 HB1 GLU 35 5.592 -3.520 -6.514 314 HG2 GLU 35 HG2 GLU 35 3.663 -3.740 -7.875 315 HG3 GLU 35 HG1 GLU 35 4.225 -2.485 -8.980 316 H ILE 36 HN ILE 36 2.716 -0.353 -7.077 317 HA ILE 36 HA ILE 36 1.221 -1.475 -4.869 318 HB ILE 36 HB ILE 36 0.602 0.623 -6.969 319 HG12 ILE 36 HG12 ILE 36 0.400 2.105 -4.940 320 HG13 ILE 36 HG11 ILE 36 1.038 0.775 -3.987 321 HG21 ILE 36 HG21 ILE 36 -1.447 -0.572 -6.513 322 HG22 ILE 36 HG22 ILE 36 -1.511 1.042 -5.806 323 HG23 ILE 36 HG23 ILE 36 -1.212 -0.361 -4.779 324 HD11 ILE 36 HD11 ILE 36 3.100 0.844 -5.322 325 HD12 ILE 36 HD12 ILE 36 2.778 2.358 -4.479 326 HD13 ILE 36 HD13 ILE 36 2.452 2.227 -6.207 327 H PHE 37 HN PHE 37 0.447 -3.415 -5.186 328 HA PHE 37 HA PHE 37 -1.305 -3.870 -7.444 329 HB2 PHE 37 HB2 PHE 37 -0.135 -5.489 -8.526 330 HB3 PHE 37 HB1 PHE 37 1.250 -4.707 -7.777 331 HD1 PHE 37 HD2 PHE 37 2.395 -5.737 -5.884 332 HD2 PHE 37 HD1 PHE 37 -0.878 -7.662 -7.806 333 HE1 PHE 37 HE2 PHE 37 3.013 -7.862 -4.811 334 HE2 PHE 37 HE1 PHE 37 -0.263 -9.786 -6.735 335 HZ PHE 37 HZ PHE 37 1.685 -9.889 -5.235 336 H VAL 38 HN VAL 38 -3.088 -4.778 -6.730 337 HA VAL 38 HA VAL 38 -3.179 -5.690 -3.989 338 HB VAL 38 HB VAL 38 -5.058 -4.388 -4.619 339 HG11 VAL 38 HG11 VAL 38 -4.828 -4.552 -7.042 340 HG12 VAL 38 HG12 VAL 38 -6.491 -4.877 -6.548 341 HG13 VAL 38 HG13 VAL 38 -5.429 -6.211 -6.994 342 HG21 VAL 38 HG21 VAL 38 -5.652 -6.342 -3.263 343 HG22 VAL 38 HG22 VAL 38 -5.964 -7.268 -4.732 344 HG23 VAL 38 HG23 VAL 38 -6.973 -5.876 -4.334 345 H ASP 39 HN ASP 39 -3.369 -7.617 -3.256 346 HA ASP 39 HA ASP 39 -2.519 -9.768 -4.961 347 HB2 ASP 39 HB2 ASP 39 -1.629 -9.374 -2.648 348 HB3 ASP 39 HB1 ASP 39 -3.222 -9.837 -2.017 349 H ARG 40 HN ARG 40 -5.238 -9.226 -2.758 350 HA ARG 40 HA ARG 40 -6.561 -11.519 -3.983 351 HB2 ARG 40 HB2 ARG 40 -7.384 -11.754 -1.440 352 HB3 ARG 40 HB1 ARG 40 -5.980 -12.580 -2.102 353 HG2 ARG 40 HG2 ARG 40 -4.826 -10.296 -1.393 354 HG3 ARG 40 HG1 ARG 40 -6.123 -10.330 -0.210 355 HD2 ARG 40 HD2 ARG 40 -4.088 -12.483 -0.713 356 HD3 ARG 40 HD1 ARG 40 -4.133 -11.398 0.674 357 HE ARG 40 HE ARG 40 -6.554 -12.857 0.482 358 HH11 ARG 40 HH11 ARG 40 -3.185 -13.200 1.363 359 HH12 ARG 40 HH12 ARG 40 -3.459 -14.532 2.440 360 HH21 ARG 40 HH21 ARG 40 -6.935 -14.621 1.903 361 HH22 ARG 40 HH22 ARG 40 -5.597 -15.320 2.774 362 H ASP 41 HN ASP 41 -7.928 -9.955 -1.217 363 HA ASP 41 HA ASP 41 -10.280 -9.382 -2.810 364 HB2 ASP 41 HB2 ASP 41 -10.551 -10.423 -0.598 365 HB3 ASP 41 HB1 ASP 41 -9.827 -9.004 0.157 366 H GLY 42 HN GLY 42 -8.869 -7.437 -0.236 367 HA2 GLY 42 HA2 GLY 42 -8.804 -5.146 -2.079 368 HA3 GLY 42 HA1 GLY 42 -9.585 -5.002 -0.509 369 H GLU 43 HN GLU 43 -6.797 -6.989 -0.848 370 HA GLU 43 HA GLU 43 -5.287 -5.152 0.842 371 HB2 GLU 43 HB2 GLU 43 -4.220 -7.809 -0.039 372 HB3 GLU 43 HB1 GLU 43 -3.972 -6.962 1.481 373 HG2 GLU 43 HG2 GLU 43 -6.570 -7.441 1.722 374 HG3 GLU 43 HG1 GLU 43 -6.155 -8.775 0.637 375 H VAL 44 HN VAL 44 -4.195 -3.656 -0.257 376 HA VAL 44 HA VAL 44 -3.109 -4.267 -2.888 377 HB VAL 44 HB VAL 44 -2.509 -1.678 -1.554 378 HG11 VAL 44 HG11 VAL 44 -3.265 -2.499 -4.356 379 HG12 VAL 44 HG12 VAL 44 -1.653 -2.107 -3.759 380 HG13 VAL 44 HG13 VAL 44 -2.887 -0.850 -3.856 381 HG21 VAL 44 HG21 VAL 44 -4.856 -1.961 -0.966 382 HG22 VAL 44 HG22 VAL 44 -5.252 -2.361 -2.636 383 HG23 VAL 44 HG23 VAL 44 -4.698 -0.737 -2.227 384 H ILE 45 HN ILE 45 -1.013 -4.618 -3.257 385 HA ILE 45 HA ILE 45 0.728 -4.728 -0.878 386 HB ILE 45 HB ILE 45 0.684 -6.389 -3.398 387 HG12 ILE 45 HG12 ILE 45 0.518 -8.276 -1.831 388 HG13 ILE 45 HG11 ILE 45 0.570 -7.158 -0.473 389 HG21 ILE 45 HG21 ILE 45 2.717 -7.507 -2.562 390 HG22 ILE 45 HG22 ILE 45 2.835 -6.297 -1.287 391 HG23 ILE 45 HG23 ILE 45 2.991 -5.815 -2.977 392 HD11 ILE 45 HD11 ILE 45 -1.606 -7.307 -2.536 393 HD12 ILE 45 HD12 ILE 45 -1.562 -6.264 -1.104 394 HD13 ILE 45 HD13 ILE 45 -1.658 -8.017 -0.920 395 H LEU 46 HN LEU 46 2.181 -3.151 -0.904 396 HA LEU 46 HA LEU 46 3.177 -2.115 -3.478 397 HB2 LEU 46 HB2 LEU 46 3.872 -0.659 -1.005 398 HB3 LEU 46 HB1 LEU 46 3.281 -0.039 -2.536 399 HG LEU 46 HG LEU 46 1.519 -1.361 -0.483 400 HD11 LEU 46 HD11 LEU 46 2.532 0.648 0.443 401 HD12 LEU 46 HD12 LEU 46 0.821 0.912 0.107 402 HD13 LEU 46 HD13 LEU 46 2.046 1.565 -0.981 403 HD21 LEU 46 HD21 LEU 46 0.638 -1.396 -2.758 404 HD22 LEU 46 HD22 LEU 46 0.887 0.344 -2.890 405 HD23 LEU 46 HD23 LEU 46 -0.287 -0.294 -1.738 406 H LYS 47 HN LYS 47 5.156 -3.036 -3.990 407 HA LYS 47 HA LYS 47 6.940 -3.426 -1.674 408 HB2 LYS 47 HB2 LYS 47 7.521 -5.522 -2.226 409 HB3 LYS 47 HB1 LYS 47 5.951 -5.510 -2.999 410 HG2 LYS 47 HG2 LYS 47 8.481 -4.864 -4.476 411 HG3 LYS 47 HG1 LYS 47 7.876 -6.507 -4.295 412 HD2 LYS 47 HD2 LYS 47 6.526 -4.198 -5.679 413 HD3 LYS 47 HD1 LYS 47 7.181 -5.666 -6.416 414 HE2 LYS 47 HE2 LYS 47 5.356 -6.538 -4.467 415 HE3 LYS 47 HE1 LYS 47 4.573 -5.186 -5.285 416 HZ1 LYS 47 HZ1 LYS 47 5.666 -7.649 -6.525 417 HZ2 LYS 47 HZ2 LYS 47 5.145 -6.304 -7.422 418 HZ3 LYS 47 HZ3 LYS 47 4.044 -7.167 -6.461 419 H LYS 48 HN LYS 48 9.164 -3.339 -2.029 420 HA LYS 48 HA LYS 48 9.952 -0.877 -2.677 421 HB2 LYS 48 HB2 LYS 48 12.290 -2.045 -2.914 422 HB3 LYS 48 HB1 LYS 48 11.418 -1.980 -1.381 423 HG2 LYS 48 HG2 LYS 48 10.395 -4.240 -2.537 424 HG3 LYS 48 HG1 LYS 48 12.073 -4.261 -3.091 425 HD2 LYS 48 HD2 LYS 48 11.245 -3.923 -0.219 426 HD3 LYS 48 HD1 LYS 48 11.690 -5.470 -0.943 427 HE2 LYS 48 HE2 LYS 48 13.886 -4.407 -1.560 428 HE3 LYS 48 HE1 LYS 48 13.416 -3.036 -0.558 429 HZ1 LYS 48 HZ1 LYS 48 14.828 -4.807 0.534 430 HZ2 LYS 48 HZ2 LYS 48 13.459 -5.806 0.495 431 HZ3 LYS 48 HZ3 LYS 48 13.426 -4.354 1.363 432 H TYR 49 HN TYR 49 9.579 -3.278 -5.144 433 HA TYR 49 HA TYR 49 9.553 -3.021 -7.414 434 HB2 TYR 49 HB2 TYR 49 8.809 -0.743 -7.214 435 HB3 TYR 49 HB1 TYR 49 10.435 -0.223 -6.791 436 HD1 TYR 49 HD2 TYR 49 9.142 -2.397 -9.546 437 HD2 TYR 49 HD1 TYR 49 11.281 1.122 -8.474 438 HE1 TYR 49 HE2 TYR 49 9.662 -2.003 -11.913 439 HE2 TYR 49 HE1 TYR 49 11.808 1.524 -10.844 440 HH TYR 49 HH TYR 49 12.012 0.153 -12.945 441 H SER 50 HN SER 50 12.371 -1.352 -6.004 442 HA SER 50 HA SER 50 14.083 -1.633 -8.154 443 HB2 SER 50 HB2 SER 50 15.924 -1.408 -6.321 444 HB3 SER 50 HB1 SER 50 14.792 -0.081 -6.567 445 HG SER 50 HG SER 50 13.810 -0.536 -4.700 446 HA PRO 51 HA PRO 51 15.164 -6.026 -6.921 447 HB2 PRO 51 HB2 PRO 51 14.568 -7.050 -4.549 448 HB3 PRO 51 HB1 PRO 51 15.923 -5.931 -4.724 449 HG2 PRO 51 HG2 PRO 51 13.277 -5.516 -3.479 450 HG3 PRO 51 HG1 PRO 51 14.805 -4.667 -3.189 451 HD2 PRO 51 HD2 PRO 51 12.595 -3.886 -4.855 452 HD3 PRO 51 HD1 PRO 51 14.085 -2.987 -4.515 453 H ILE 52 HN ILE 52 12.336 -4.849 -7.336 454 HA ILE 52 HA ILE 52 10.145 -5.470 -7.564 455 HB ILE 52 HB ILE 52 10.769 -8.269 -8.240 456 HG12 ILE 52 HG12 ILE 52 12.216 -6.001 -9.626 457 HG13 ILE 52 HG11 ILE 52 12.936 -7.405 -8.829 458 HG21 ILE 52 HG21 ILE 52 9.593 -5.961 -9.796 459 HG22 ILE 52 HG22 ILE 52 8.685 -7.152 -8.866 460 HG23 ILE 52 HG23 ILE 52 9.583 -7.652 -10.298 461 HD11 ILE 52 HD11 ILE 52 11.267 -7.457 -11.338 462 HD12 ILE 52 HD12 ILE 52 11.987 -8.856 -10.542 463 HD13 ILE 52 HD13 ILE 52 13.021 -7.613 -11.246 464 H SER 53 HN SER 53 9.160 -8.266 -7.273 465 HA SER 53 HA SER 53 8.929 -8.316 -4.402 466 HB2 SER 53 HB2 SER 53 7.681 -9.939 -6.611 467 HB3 SER 53 HB1 SER 53 7.496 -10.395 -4.917 468 HG SER 53 HG SER 53 6.294 -8.653 -4.547 469 H GLU 54 HN GLU 54 11.207 -8.701 -4.034 470 HA GLU 54 HA GLU 54 12.885 -10.040 -3.313 471 HB2 GLU 54 HB2 GLU 54 11.157 -11.372 -2.245 472 HB3 GLU 54 HB1 GLU 54 10.841 -12.227 -3.745 473 HG2 GLU 54 HG2 GLU 54 13.066 -13.223 -3.650 474 HG3 GLU 54 HG1 GLU 54 13.392 -12.356 -2.151 475 H LEU 55 HN LEU 55 14.016 -9.369 -5.217 476 HA LEU 55 HA LEU 55 14.167 -11.339 -7.373 477 HB2 LEU 55 HB2 LEU 55 13.989 -8.726 -7.636 478 HB3 LEU 55 HB1 LEU 55 15.718 -8.787 -7.363 479 HG LEU 55 HG LEU 55 15.035 -8.717 -9.770 480 HD11 LEU 55 HD11 LEU 55 17.234 -9.535 -9.161 481 HD12 LEU 55 HD12 LEU 55 16.588 -10.460 -10.517 482 HD13 LEU 55 HD13 LEU 55 16.581 -11.152 -8.895 483 HD21 LEU 55 HD21 LEU 55 14.027 -11.496 -9.186 484 HD22 LEU 55 HD22 LEU 55 14.188 -10.776 -10.789 485 HD23 LEU 55 HD23 LEU 55 13.046 -10.096 -9.627 486 H1 MET 1 HT1 MET 1 -4.605 -15.140 -8.514 487 H2 MET 1 HT2 MET 1 -4.121 -13.604 -7.985 488 H3 MET 1 HT3 MET 1 -3.824 -14.078 -9.582 489 HA MET 1 HA MET 1 -6.178 -14.169 -10.035 490 HB2 MET 1 HB2 MET 1 -6.932 -14.725 -7.772 491 HB3 MET 1 HB1 MET 1 -6.429 -13.140 -7.200 492 HG2 MET 1 HG2 MET 1 -8.076 -12.103 -8.711 493 HG3 MET 1 HG1 MET 1 -8.612 -13.711 -9.192 494 HE1 MET 1 HE1 MET 1 -11.561 -12.334 -6.974 495 HE2 MET 1 HE2 MET 1 -11.122 -12.995 -8.550 496 HE3 MET 1 HE3 MET 1 -10.530 -11.406 -8.063 497 H LYS 2 HN LYS 2 -4.898 -11.614 -7.872 498 HA LYS 2 HA LYS 2 -5.614 -9.685 -9.971 499 HB2 LYS 2 HB2 LYS 2 -5.536 -9.403 -6.974 500 HB3 LYS 2 HB1 LYS 2 -5.521 -8.003 -8.040 501 HG2 LYS 2 HG2 LYS 2 -7.670 -10.113 -7.965 502 HG3 LYS 2 HG1 LYS 2 -7.770 -8.506 -7.240 503 HD2 LYS 2 HD2 LYS 2 -7.373 -9.063 -10.185 504 HD3 LYS 2 HD1 LYS 2 -8.912 -8.642 -9.432 505 HE2 LYS 2 HE2 LYS 2 -7.991 -6.493 -8.729 506 HE3 LYS 2 HE1 LYS 2 -6.434 -6.920 -9.436 507 HZ1 LYS 2 HZ1 LYS 2 -7.756 -5.467 -10.879 508 HZ2 LYS 2 HZ2 LYS 2 -8.975 -6.644 -10.956 509 HZ3 LYS 2 HZ3 LYS 2 -7.444 -6.965 -11.614 510 H ALA 3 HN ALA 3 -4.148 -7.566 -8.586 511 HA ALA 3 HA ALA 3 -1.661 -7.144 -8.584 512 HB1 ALA 3 HB1 ALA 3 -1.910 -8.377 -11.338 513 HB2 ALA 3 HB2 ALA 3 -1.110 -9.136 -9.962 514 HB3 ALA 3 HB3 ALA 3 -0.464 -7.643 -10.641 515 H THR 4 HN THR 4 -0.838 -5.320 -9.773 516 HA THR 4 HA THR 4 -2.439 -4.121 -11.840 517 HB THR 4 HB THR 4 -2.293 -1.871 -10.569 518 HG1 THR 4 HG1 THR 4 -1.485 -2.163 -8.622 519 HG21 THR 4 HG21 THR 4 -4.355 -3.900 -9.718 520 HG22 THR 4 HG22 THR 4 -4.401 -2.976 -11.222 521 HG23 THR 4 HG23 THR 4 -4.528 -2.145 -9.670 522 H GLY 5 HN GLY 5 0.171 -3.548 -9.566 523 HA2 GLY 5 HA2 GLY 5 2.446 -3.391 -9.960 524 HA3 GLY 5 HA1 GLY 5 2.131 -3.731 -11.651 525 H ILE 6 HN ILE 6 1.133 -1.078 -9.509 526 HA ILE 6 HA ILE 6 2.489 0.763 -11.361 527 HB ILE 6 HB ILE 6 0.273 1.493 -11.289 528 HG12 ILE 6 HG12 ILE 6 0.249 3.586 -9.947 529 HG13 ILE 6 HG11 ILE 6 1.694 3.033 -9.108 530 HG21 ILE 6 HG21 ILE 6 0.241 1.025 -8.316 531 HG22 ILE 6 HG22 ILE 6 -0.535 0.024 -9.544 532 HG23 ILE 6 HG23 ILE 6 -1.093 1.676 -9.269 533 HD11 ILE 6 HD11 ILE 6 1.460 3.684 -12.035 534 HD12 ILE 6 HD12 ILE 6 2.902 3.037 -11.252 535 HD13 ILE 6 HD13 ILE 6 2.293 4.628 -10.796 536 H VAL 7 HN VAL 7 4.442 1.297 -10.674 537 HA VAL 7 HA VAL 7 5.092 1.083 -7.854 538 HB VAL 7 HB VAL 7 6.779 1.623 -10.285 539 HG11 VAL 7 HG11 VAL 7 8.725 1.785 -8.868 540 HG12 VAL 7 HG12 VAL 7 7.736 1.562 -7.424 541 HG13 VAL 7 HG13 VAL 7 7.568 3.031 -8.388 542 HG21 VAL 7 HG21 VAL 7 7.870 -0.476 -9.513 543 HG22 VAL 7 HG22 VAL 7 6.171 -0.674 -9.947 544 HG23 VAL 7 HG23 VAL 7 6.645 -0.597 -8.250 545 H ARG 8 HN ARG 8 5.527 2.750 -6.445 546 HA ARG 8 HA ARG 8 5.255 5.487 -7.417 547 HB2 ARG 8 HB2 ARG 8 3.164 5.312 -6.445 548 HB3 ARG 8 HB1 ARG 8 3.641 3.976 -5.417 549 HG2 ARG 8 HG2 ARG 8 3.001 5.998 -4.149 550 HG3 ARG 8 HG1 ARG 8 4.663 5.493 -3.829 551 HD2 ARG 8 HD2 ARG 8 5.548 7.231 -5.077 552 HD3 ARG 8 HD1 ARG 8 4.019 7.551 -5.899 553 HE ARG 8 HE ARG 8 4.223 8.053 -3.024 554 HH11 ARG 8 HH11 ARG 8 3.945 9.261 -6.309 555 HH12 ARG 8 HH12 ARG 8 3.602 10.889 -5.808 556 HH21 ARG 8 HH21 ARG 8 3.818 10.220 -2.384 557 HH22 ARG 8 HH22 ARG 8 3.528 11.431 -3.591 558 H ARG 9 HN ARG 9 7.247 6.354 -6.958 559 HA ARG 9 HA ARG 9 8.828 5.386 -4.725 560 HB2 ARG 9 HB2 ARG 9 9.675 6.416 -6.994 561 HB3 ARG 9 HB1 ARG 9 9.411 7.947 -6.166 562 HG2 ARG 9 HG2 ARG 9 11.451 7.733 -5.350 563 HG3 ARG 9 HG1 ARG 9 10.818 6.426 -4.341 564 HD2 ARG 9 HD2 ARG 9 12.839 5.798 -5.654 565 HD3 ARG 9 HD1 ARG 9 11.427 4.785 -5.964 566 HE ARG 9 HE ARG 9 11.113 6.382 -7.960 567 HH11 ARG 9 HH11 ARG 9 14.233 5.326 -6.723 568 HH12 ARG 9 HH12 ARG 9 15.017 5.469 -8.270 569 HH21 ARG 9 HH21 ARG 9 12.140 6.567 -9.952 570 HH22 ARG 9 HH22 ARG 9 13.833 6.199 -10.100 571 H ILE 10 HN ILE 10 8.000 5.821 -2.827 572 HA ILE 10 HA ILE 10 6.186 7.200 -1.728 573 HB ILE 10 HB ILE 10 7.865 8.010 0.152 574 HG12 ILE 10 HG12 ILE 10 9.967 6.870 0.189 575 HG13 ILE 10 HG11 ILE 10 9.510 5.841 -1.162 576 HG21 ILE 10 HG21 ILE 10 7.814 5.640 0.965 577 HG22 ILE 10 HG22 ILE 10 7.121 5.206 -0.603 578 HG23 ILE 10 HG23 ILE 10 6.261 6.313 0.467 579 HD11 ILE 10 HD11 ILE 10 10.330 8.715 -1.213 580 HD12 ILE 10 HD12 ILE 10 9.535 7.929 -2.579 581 HD13 ILE 10 HD13 ILE 10 11.091 7.333 -1.999 582 H ASP 11 HN ASP 11 8.631 9.321 -0.715 583 HA ASP 11 HA ASP 11 9.038 11.285 -2.394 584 HB2 ASP 11 HB2 ASP 11 7.340 13.061 -2.058 585 HB3 ASP 11 HB1 ASP 11 6.698 11.681 -2.928 586 H ASP 12 HN ASP 12 8.378 13.600 -0.831 587 HA ASP 12 HA ASP 12 10.525 13.365 1.023 588 HB2 ASP 12 HB2 ASP 12 9.984 15.417 -0.308 589 HB3 ASP 12 HB1 ASP 12 8.553 15.636 0.693 590 H LEU 13 HN LEU 13 7.304 12.523 1.227 591 HA LEU 13 HA LEU 13 7.279 12.880 4.153 592 HB2 LEU 13 HB2 LEU 13 5.506 14.065 2.728 593 HB3 LEU 13 HB1 LEU 13 4.843 12.472 2.428 594 HG LEU 13 HG LEU 13 3.694 13.755 4.231 595 HD11 LEU 13 HD11 LEU 13 4.995 11.144 4.981 596 HD12 LEU 13 HD12 LEU 13 3.434 11.379 4.192 597 HD13 LEU 13 HD13 LEU 13 3.659 11.885 5.866 598 HD21 LEU 13 HD21 LEU 13 6.278 13.317 5.715 599 HD22 LEU 13 HD22 LEU 13 4.784 13.951 6.407 600 HD23 LEU 13 HD23 LEU 13 5.643 14.869 5.169 601 H GLY 14 HN GLY 14 5.964 10.733 1.593 602 HA2 GLY 14 HA2 GLY 14 6.911 8.399 1.838 603 HA3 GLY 14 HA1 GLY 14 6.307 8.511 3.486 604 H ARG 15 HN ARG 15 4.295 9.971 1.035 605 HA ARG 15 HA ARG 15 2.318 7.946 1.652 606 HB2 ARG 15 HB2 ARG 15 1.827 9.972 -0.481 607 HB3 ARG 15 HB1 ARG 15 0.683 9.191 0.597 608 HG2 ARG 15 HG2 ARG 15 0.683 11.216 1.545 609 HG3 ARG 15 HG1 ARG 15 2.105 10.571 2.381 610 HD2 ARG 15 HD2 ARG 15 3.584 11.672 1.004 611 HD3 ARG 15 HD1 ARG 15 2.385 11.860 -0.286 612 HE ARG 15 HE ARG 15 1.483 13.309 1.934 613 HH11 ARG 15 HH11 ARG 15 4.136 13.429 -0.370 614 HH12 ARG 15 HH12 ARG 15 4.314 15.156 -0.232 615 HH21 ARG 15 HH21 ARG 15 1.736 15.555 2.095 616 HH22 ARG 15 HH22 ARG 15 2.964 16.363 1.162 617 H VAL 16 HN VAL 16 1.343 6.602 0.272 618 HA VAL 16 HA VAL 16 2.625 6.176 -2.345 619 HB VAL 16 HB VAL 16 0.911 4.316 -0.666 620 HG11 VAL 16 HG11 VAL 16 0.551 3.960 -3.040 621 HG12 VAL 16 HG12 VAL 16 1.450 2.617 -2.336 622 HG13 VAL 16 HG13 VAL 16 2.290 3.834 -3.297 623 HG21 VAL 16 HG21 VAL 16 3.122 4.602 0.269 624 HG22 VAL 16 HG22 VAL 16 3.857 4.255 -1.297 625 HG23 VAL 16 HG23 VAL 16 2.968 2.995 -0.440 626 H VAL 17 HN VAL 17 1.518 7.411 -3.700 627 HA VAL 17 HA VAL 17 -1.184 8.172 -3.227 628 HB VAL 17 HB VAL 17 0.379 8.470 -5.795 629 HG11 VAL 17 HG11 VAL 17 -1.142 10.391 -6.152 630 HG12 VAL 17 HG12 VAL 17 -2.041 9.899 -4.714 631 HG13 VAL 17 HG13 VAL 17 -1.966 8.830 -6.120 632 HG21 VAL 17 HG21 VAL 17 0.696 10.854 -4.825 633 HG22 VAL 17 HG22 VAL 17 1.751 9.545 -4.291 634 HG23 VAL 17 HG23 VAL 17 0.411 10.078 -3.261 635 H ILE 18 HN ILE 18 -2.682 6.615 -3.326 636 HA ILE 18 HA ILE 18 -2.482 4.552 -5.359 637 HB ILE 18 HB ILE 18 -4.060 4.822 -2.818 638 HG12 ILE 18 HG12 ILE 18 -2.221 2.747 -4.020 639 HG13 ILE 18 HG11 ILE 18 -1.909 3.789 -2.636 640 HG21 ILE 18 HG21 ILE 18 -5.728 4.159 -4.462 641 HG22 ILE 18 HG22 ILE 18 -5.344 2.811 -3.391 642 HG23 ILE 18 HG23 ILE 18 -4.682 2.853 -5.025 643 HD11 ILE 18 HD11 ILE 18 -3.949 1.578 -2.750 644 HD12 ILE 18 HD12 ILE 18 -3.624 2.616 -1.361 645 HD13 ILE 18 HD13 ILE 18 -2.381 1.509 -1.945 646 HA PRO 19 HA PRO 19 -5.238 6.777 -8.164 647 HB2 PRO 19 HB2 PRO 19 -5.021 3.962 -9.150 648 HB3 PRO 19 HB1 PRO 19 -5.035 5.470 -10.071 649 HG2 PRO 19 HG2 PRO 19 -2.740 4.269 -9.645 650 HG3 PRO 19 HG1 PRO 19 -2.856 6.027 -9.410 651 HD2 PRO 19 HD2 PRO 19 -2.781 3.846 -7.365 652 HD3 PRO 19 HD1 PRO 19 -2.036 5.463 -7.324 653 H LYS 20 HN LYS 20 -7.377 6.806 -8.298 654 HA LYS 20 HA LYS 20 -8.937 5.426 -6.450 655 HB2 LYS 20 HB2 LYS 20 -10.900 6.326 -7.662 656 HB3 LYS 20 HB1 LYS 20 -9.709 7.544 -7.237 657 HG2 LYS 20 HG2 LYS 20 -9.792 6.270 -9.950 658 HG3 LYS 20 HG1 LYS 20 -10.737 7.707 -9.546 659 HD2 LYS 20 HD2 LYS 20 -7.760 7.447 -9.254 660 HD3 LYS 20 HD1 LYS 20 -8.560 8.208 -10.633 661 HE2 LYS 20 HE2 LYS 20 -9.507 9.903 -9.190 662 HE3 LYS 20 HE1 LYS 20 -8.863 9.093 -7.764 663 HZ1 LYS 20 HZ1 LYS 20 -7.512 11.001 -8.445 664 HZ2 LYS 20 HZ2 LYS 20 -7.220 10.266 -9.945 665 HZ3 LYS 20 HZ3 LYS 20 -6.635 9.550 -8.523 666 H GLU 21 HN GLU 21 -7.754 4.381 -9.461 667 HA GLU 21 HA GLU 21 -9.834 2.681 -10.272 668 HB2 GLU 21 HB2 GLU 21 -8.105 1.507 -11.590 669 HB3 GLU 21 HB1 GLU 21 -8.079 3.252 -11.797 670 HG2 GLU 21 HG2 GLU 21 -6.235 3.293 -10.076 671 HG3 GLU 21 HG1 GLU 21 -6.173 1.538 -10.250 672 H ILE 22 HN ILE 22 -7.645 2.365 -7.629 673 HA ILE 22 HA ILE 22 -7.935 -0.539 -7.558 674 HB ILE 22 HB ILE 22 -6.450 1.292 -5.653 675 HG12 ILE 22 HG12 ILE 22 -4.512 -0.190 -6.723 676 HG13 ILE 22 HG11 ILE 22 -5.655 -0.272 -8.059 677 HG21 ILE 22 HG21 ILE 22 -7.234 -0.683 -4.501 678 HG22 ILE 22 HG22 ILE 22 -5.491 -0.794 -4.746 679 HG23 ILE 22 HG23 ILE 22 -6.587 -1.719 -5.774 680 HD11 ILE 22 HD11 ILE 22 -4.010 1.513 -8.337 681 HD12 ILE 22 HD12 ILE 22 -4.593 2.266 -6.851 682 HD13 ILE 22 HD13 ILE 22 -5.662 2.128 -8.250 683 H ARG 23 HN ARG 23 -8.630 2.321 -5.603 684 HA ARG 23 HA ARG 23 -10.373 1.160 -3.727 685 HB2 ARG 23 HB2 ARG 23 -9.949 3.246 -2.994 686 HB3 ARG 23 HB1 ARG 23 -9.539 3.811 -4.599 687 HG2 ARG 23 HG2 ARG 23 -12.385 3.534 -3.689 688 HG3 ARG 23 HG1 ARG 23 -11.433 4.981 -3.380 689 HD2 ARG 23 HD2 ARG 23 -11.006 4.559 -6.043 690 HD3 ARG 23 HD1 ARG 23 -12.667 4.017 -5.839 691 HE ARG 23 HE ARG 23 -12.041 6.638 -4.724 692 HH11 ARG 23 HH11 ARG 23 -13.329 4.792 -7.408 693 HH12 ARG 23 HH12 ARG 23 -14.102 6.153 -8.150 694 HH21 ARG 23 HH21 ARG 23 -13.057 8.446 -5.701 695 HH22 ARG 23 HH22 ARG 23 -13.939 8.229 -7.192 696 H ARG 24 HN ARG 24 -10.759 2.184 -6.991 697 HA ARG 24 HA ARG 24 -13.529 2.066 -7.226 698 HB2 ARG 24 HB2 ARG 24 -12.182 3.079 -8.946 699 HB3 ARG 24 HB1 ARG 24 -11.356 1.558 -9.255 700 HG2 ARG 24 HG2 ARG 24 -13.376 0.580 -10.102 701 HG3 ARG 24 HG1 ARG 24 -14.285 2.046 -9.701 702 HD2 ARG 24 HD2 ARG 24 -13.844 2.310 -11.975 703 HD3 ARG 24 HD1 ARG 24 -12.577 3.264 -11.196 704 HE ARG 24 HE ARG 24 -11.958 0.499 -11.942 705 HH11 ARG 24 HH11 ARG 24 -11.518 3.940 -12.473 706 HH12 ARG 24 HH12 ARG 24 -10.195 3.726 -13.582 707 HH21 ARG 24 HH21 ARG 24 -10.232 0.220 -13.400 708 HH22 ARG 24 HH22 ARG 24 -9.480 1.606 -14.131 709 H THR 25 HN THR 25 -11.067 -0.502 -8.098 710 HA THR 25 HA THR 25 -12.978 -2.472 -8.471 711 HB THR 25 HB THR 25 -10.132 -2.805 -7.478 712 HG1 THR 25 HG1 THR 25 -9.810 -1.685 -9.300 713 HG21 THR 25 HG21 THR 25 -11.889 -4.607 -9.156 714 HG22 THR 25 HG22 THR 25 -11.460 -4.870 -7.465 715 HG23 THR 25 HG23 THR 25 -10.212 -4.924 -8.711 716 H LEU 26 HN LEU 26 -11.494 -1.163 -5.606 717 HA LEU 26 HA LEU 26 -12.261 -3.111 -3.724 718 HB2 LEU 26 HB2 LEU 26 -11.307 -0.341 -3.702 719 HB3 LEU 26 HB1 LEU 26 -12.407 -0.698 -2.382 720 HG LEU 26 HG LEU 26 -10.124 -0.994 -1.650 721 HD11 LEU 26 HD11 LEU 26 -11.538 -3.629 -1.997 722 HD12 LEU 26 HD12 LEU 26 -11.786 -2.468 -0.692 723 HD13 LEU 26 HD13 LEU 26 -10.239 -3.301 -0.849 724 HD21 LEU 26 HD21 LEU 26 -9.101 -1.460 -3.823 725 HD22 LEU 26 HD22 LEU 26 -9.878 -3.044 -3.851 726 HD23 LEU 26 HD23 LEU 26 -8.662 -2.680 -2.626 727 H ARG 27 HN ARG 27 -14.050 -0.873 -5.544 728 HA ARG 27 HA ARG 27 -16.273 -0.437 -5.731 729 HB2 ARG 27 HB2 ARG 27 -16.446 -2.879 -4.922 730 HB3 ARG 27 HB1 ARG 27 -16.825 -2.190 -3.351 731 HG2 ARG 27 HG2 ARG 27 -18.865 -2.745 -4.483 732 HG3 ARG 27 HG1 ARG 27 -18.719 -0.990 -4.365 733 HD2 ARG 27 HD2 ARG 27 -17.906 -0.905 -6.672 734 HD3 ARG 27 HD1 ARG 27 -18.062 -2.657 -6.790 735 HE ARG 27 HE ARG 27 -20.546 -1.996 -6.132 736 HH11 ARG 27 HH11 ARG 27 -18.387 -0.543 -8.473 737 HH12 ARG 27 HH12 ARG 27 -19.668 -0.027 -9.526 738 HH21 ARG 27 HH21 ARG 27 -22.226 -1.311 -7.497 739 HH22 ARG 27 HH22 ARG 27 -21.859 -0.407 -8.938 740 H ILE 28 HN ILE 28 -14.327 0.890 -3.943 741 HA ILE 28 HA ILE 28 -16.201 2.176 -2.067 742 HB ILE 28 HB ILE 28 -13.250 1.902 -1.501 743 HG12 ILE 28 HG12 ILE 28 -15.467 -0.013 -0.708 744 HG13 ILE 28 HG11 ILE 28 -14.208 -0.357 -1.887 745 HG21 ILE 28 HG21 ILE 28 -14.004 2.180 0.820 746 HG22 ILE 28 HG22 ILE 28 -15.683 2.233 0.281 747 HG23 ILE 28 HG23 ILE 28 -14.569 3.520 -0.179 748 HD11 ILE 28 HD11 ILE 28 -13.777 0.173 1.040 749 HD12 ILE 28 HD12 ILE 28 -12.530 -0.221 -0.145 750 HD13 ILE 28 HD13 ILE 28 -13.771 -1.409 0.258 751 H ARG 29 HN ARG 29 -14.282 4.145 -1.234 752 HA ARG 29 HA ARG 29 -13.777 5.742 -3.583 753 HB2 ARG 29 HB2 ARG 29 -15.344 7.569 -2.571 754 HB3 ARG 29 HB1 ARG 29 -16.034 6.286 -3.556 755 HG2 ARG 29 HG2 ARG 29 -17.397 6.662 -1.592 756 HG3 ARG 29 HG1 ARG 29 -16.652 5.064 -1.516 757 HD2 ARG 29 HD2 ARG 29 -14.812 6.207 -0.139 758 HD3 ARG 29 HD1 ARG 29 -15.958 7.541 0.029 759 HE ARG 29 HE ARG 29 -16.774 4.830 0.826 760 HH11 ARG 29 HH11 ARG 29 -16.154 8.172 1.662 761 HH12 ARG 29 HH12 ARG 29 -16.697 8.000 3.304 762 HH21 ARG 29 HH21 ARG 29 -17.479 4.591 2.974 763 HH22 ARG 29 HH22 ARG 29 -17.441 5.957 4.054 764 H GLU 30 HN GLU 30 -13.922 8.240 -2.294 765 HA GLU 30 HA GLU 30 -11.340 8.270 -1.086 766 HB2 GLU 30 HB2 GLU 30 -13.399 10.349 -1.732 767 HB3 GLU 30 HB1 GLU 30 -11.987 10.761 -0.766 768 HG2 GLU 30 HG2 GLU 30 -11.579 11.286 -3.069 769 HG3 GLU 30 HG1 GLU 30 -10.542 9.957 -2.559 770 H GLY 31 HN GLY 31 -13.228 6.773 0.379 771 HA2 GLY 31 HA2 GLY 31 -12.506 7.845 2.968 772 HA3 GLY 31 HA1 GLY 31 -14.245 7.601 2.714 773 H ASP 32 HN ASP 32 -11.859 5.654 1.166 774 HA ASP 32 HA ASP 32 -12.708 3.275 2.589 775 HB2 ASP 32 HB2 ASP 32 -12.383 2.996 0.232 776 HB3 ASP 32 HB1 ASP 32 -10.786 3.737 0.303 777 HA PRO 33 HA PRO 33 -9.127 3.529 5.205 778 HB2 PRO 33 HB2 PRO 33 -9.913 1.315 6.692 779 HB3 PRO 33 HB1 PRO 33 -10.278 3.001 7.069 780 HG2 PRO 33 HG2 PRO 33 -12.112 0.982 6.273 781 HG3 PRO 33 HG1 PRO 33 -12.441 2.701 6.526 782 HD2 PRO 33 HD2 PRO 33 -12.032 1.218 3.993 783 HD3 PRO 33 HD1 PRO 33 -12.887 2.749 4.294 784 H LEU 34 HN LEU 34 -7.222 2.397 5.267 785 HA LEU 34 HA LEU 34 -7.294 -0.341 4.280 786 HB2 LEU 34 HB2 LEU 34 -5.093 1.533 3.445 787 HB3 LEU 34 HB1 LEU 34 -5.450 -0.074 2.832 788 HG LEU 34 HG LEU 34 -7.736 1.514 2.357 789 HD11 LEU 34 HD11 LEU 34 -6.356 3.484 2.632 790 HD12 LEU 34 HD12 LEU 34 -6.801 3.278 0.937 791 HD13 LEU 34 HD13 LEU 34 -5.180 2.847 1.483 792 HD21 LEU 34 HD21 LEU 34 -5.580 0.478 0.513 793 HD22 LEU 34 HD22 LEU 34 -7.175 1.039 0.007 794 HD23 LEU 34 HD23 LEU 34 -7.026 -0.392 1.026 795 H GLU 35 HN GLU 35 -5.624 -1.573 4.976 796 HA GLU 35 HA GLU 35 -4.471 -0.633 7.527 797 HB2 GLU 35 HB2 GLU 35 -6.016 -2.561 7.801 798 HB3 GLU 35 HB1 GLU 35 -4.985 -3.497 6.730 799 HG2 GLU 35 HG2 GLU 35 -3.118 -3.181 8.301 800 HG3 GLU 35 HG1 GLU 35 -4.231 -2.377 9.413 801 H ILE 36 HN ILE 36 -2.415 -0.118 7.296 802 HA ILE 36 HA ILE 36 -0.884 -1.249 5.113 803 HB ILE 36 HB ILE 36 -0.330 0.935 7.143 804 HG12 ILE 36 HG12 ILE 36 -0.131 2.310 4.992 805 HG13 ILE 36 HG11 ILE 36 -0.874 0.939 4.180 806 HG21 ILE 36 HG21 ILE 36 1.502 -0.069 4.977 807 HG22 ILE 36 HG22 ILE 36 1.753 -0.210 6.716 808 HG23 ILE 36 HG23 ILE 36 1.764 1.378 5.950 809 HD11 ILE 36 HD11 ILE 36 -2.783 1.203 5.837 810 HD12 ILE 36 HD12 ILE 36 -2.614 2.432 4.586 811 HD13 ILE 36 HD13 ILE 36 -2.072 2.774 6.229 812 H PHE 37 HN PHE 37 -0.050 -3.174 5.513 813 HA PHE 37 HA PHE 37 1.802 -3.408 7.719 814 HB2 PHE 37 HB2 PHE 37 0.924 -5.276 8.789 815 HB3 PHE 37 HB1 PHE 37 -0.490 -4.268 8.517 816 HD1 PHE 37 HD2 PHE 37 -2.141 -4.889 6.796 817 HD2 PHE 37 HD1 PHE 37 1.153 -7.403 7.759 818 HE1 PHE 37 HE2 PHE 37 -3.259 -6.781 5.692 819 HE2 PHE 37 HE1 PHE 37 0.041 -9.295 6.657 820 HZ PHE 37 HZ PHE 37 -2.170 -8.985 5.619 821 H VAL 38 HN VAL 38 3.558 -4.508 7.132 822 HA VAL 38 HA VAL 38 3.672 -5.400 4.393 823 HB VAL 38 HB VAL 38 5.580 -4.186 5.073 824 HG11 VAL 38 HG11 VAL 38 5.796 -6.027 7.448 825 HG12 VAL 38 HG12 VAL 38 5.295 -4.335 7.475 826 HG13 VAL 38 HG13 VAL 38 6.949 -4.760 7.031 827 HG21 VAL 38 HG21 VAL 38 7.449 -5.738 4.831 828 HG22 VAL 38 HG22 VAL 38 6.145 -6.146 3.715 829 HG23 VAL 38 HG23 VAL 38 6.378 -7.094 5.181 830 H ASP 39 HN ASP 39 4.081 -7.423 3.662 831 HA ASP 39 HA ASP 39 3.078 -9.502 5.434 832 HB2 ASP 39 HB2 ASP 39 2.123 -9.140 3.139 833 HB3 ASP 39 HB1 ASP 39 3.665 -9.682 2.481 834 H ARG 40 HN ARG 40 5.891 -8.856 3.395 835 HA ARG 40 HA ARG 40 7.200 -11.178 4.573 836 HB2 ARG 40 HB2 ARG 40 8.070 -11.375 2.015 837 HB3 ARG 40 HB1 ARG 40 6.743 -12.309 2.699 838 HG2 ARG 40 HG2 ARG 40 5.484 -10.006 1.949 839 HG3 ARG 40 HG1 ARG 40 6.712 -10.184 0.693 840 HD2 ARG 40 HD2 ARG 40 4.965 -12.480 1.514 841 HD3 ARG 40 HD1 ARG 40 4.426 -11.297 0.323 842 HE ARG 40 HE ARG 40 6.471 -11.941 -0.961 843 HH11 ARG 40 HH11 ARG 40 5.005 -14.168 1.319 844 HH12 ARG 40 HH12 ARG 40 5.547 -15.590 0.471 845 HH21 ARG 40 HH21 ARG 40 7.204 -13.812 -2.062 846 HH22 ARG 40 HH22 ARG 40 6.807 -15.386 -1.438 847 H ASP 41 HN ASP 41 8.585 -9.677 1.793 848 HA ASP 41 HA ASP 41 10.903 -8.980 3.366 849 HB2 ASP 41 HB2 ASP 41 11.213 -10.071 1.206 850 HB3 ASP 41 HB1 ASP 41 10.365 -8.753 0.400 851 H GLY 42 HN GLY 42 9.317 -7.177 0.789 852 HA2 GLY 42 HA2 GLY 42 9.206 -4.825 2.546 853 HA3 GLY 42 HA1 GLY 42 10.010 -4.695 0.987 854 H GLU 43 HN GLU 43 7.285 -6.759 1.366 855 HA GLU 43 HA GLU 43 5.757 -5.054 -0.434 856 HB2 GLU 43 HB2 GLU 43 4.753 -7.700 0.570 857 HB3 GLU 43 HB1 GLU 43 4.492 -6.923 -0.989 858 HG2 GLU 43 HG2 GLU 43 7.088 -7.283 -1.233 859 HG3 GLU 43 HG1 GLU 43 6.787 -8.561 -0.052 860 H VAL 44 HN VAL 44 4.618 -3.516 0.565 861 HA VAL 44 HA VAL 44 3.519 -4.007 3.217 862 HB VAL 44 HB VAL 44 2.870 -1.531 1.697 863 HG11 VAL 44 HG11 VAL 44 3.111 -0.532 3.930 864 HG12 VAL 44 HG12 VAL 44 3.569 -2.111 4.573 865 HG13 VAL 44 HG13 VAL 44 1.955 -1.863 3.905 866 HG21 VAL 44 HG21 VAL 44 5.248 -1.804 1.225 867 HG22 VAL 44 HG22 VAL 44 5.578 -2.036 2.942 868 HG23 VAL 44 HG23 VAL 44 4.990 -0.479 2.359 869 H ILE 45 HN ILE 45 1.440 -4.427 3.577 870 HA ILE 45 HA ILE 45 -0.305 -4.694 1.210 871 HB ILE 45 HB ILE 45 -0.150 -6.230 3.795 872 HG12 ILE 45 HG12 ILE 45 -0.088 -8.181 2.259 873 HG13 ILE 45 HG11 ILE 45 -0.167 -7.077 0.889 874 HG21 ILE 45 HG21 ILE 45 -2.470 -5.738 3.571 875 HG22 ILE 45 HG22 ILE 45 -2.226 -7.416 3.078 876 HG23 ILE 45 HG23 ILE 45 -2.457 -6.164 1.858 877 HD11 ILE 45 HD11 ILE 45 2.066 -7.236 2.891 878 HD12 ILE 45 HD12 ILE 45 1.985 -6.165 1.484 879 HD13 ILE 45 HD13 ILE 45 2.075 -7.913 1.260 880 H LEU 46 HN LEU 46 -1.789 -3.149 1.159 881 HA LEU 46 HA LEU 46 -2.795 -1.994 3.678 882 HB2 LEU 46 HB2 LEU 46 -3.487 -0.716 1.096 883 HB3 LEU 46 HB1 LEU 46 -3.001 0.017 2.612 884 HG LEU 46 HG LEU 46 -1.081 -1.332 0.722 885 HD11 LEU 46 HD11 LEU 46 -2.132 0.577 -0.361 886 HD12 LEU 46 HD12 LEU 46 -0.458 0.946 0.053 887 HD13 LEU 46 HD13 LEU 46 -1.772 1.589 1.037 888 HD21 LEU 46 HD21 LEU 46 0.608 -0.103 2.001 889 HD22 LEU 46 HD22 LEU 46 -0.305 -1.208 3.030 890 HD23 LEU 46 HD23 LEU 46 -0.652 0.521 3.066 891 H LYS 47 HN LYS 47 -4.759 -2.864 4.246 892 HA LYS 47 HA LYS 47 -6.537 -3.508 1.984 893 HB2 LYS 47 HB2 LYS 47 -6.548 -5.651 2.491 894 HB3 LYS 47 HB1 LYS 47 -5.370 -5.343 3.750 895 HG2 LYS 47 HG2 LYS 47 -8.273 -4.977 4.319 896 HG3 LYS 47 HG1 LYS 47 -7.575 -6.596 4.281 897 HD2 LYS 47 HD2 LYS 47 -6.825 -4.299 6.084 898 HD3 LYS 47 HD1 LYS 47 -7.515 -5.867 6.537 899 HE2 LYS 47 HE2 LYS 47 -5.282 -6.672 5.259 900 HE3 LYS 47 HE1 LYS 47 -4.733 -5.122 5.896 901 HZ1 LYS 47 HZ1 LYS 47 -5.594 -5.913 8.114 902 HZ2 LYS 47 HZ2 LYS 47 -4.233 -6.727 7.523 903 HZ3 LYS 47 HZ3 LYS 47 -5.756 -7.453 7.412 904 H LYS 48 HN LYS 48 -8.745 -3.530 2.347 905 HA LYS 48 HA LYS 48 -9.694 -1.110 2.905 906 HB2 LYS 48 HB2 LYS 48 -11.954 -2.367 3.190 907 HB3 LYS 48 HB1 LYS 48 -11.082 -2.367 1.666 908 HG2 LYS 48 HG2 LYS 48 -9.967 -4.507 2.863 909 HG3 LYS 48 HG1 LYS 48 -11.586 -4.554 3.561 910 HD2 LYS 48 HD2 LYS 48 -10.988 -4.367 0.619 911 HD3 LYS 48 HD1 LYS 48 -11.349 -5.878 1.463 912 HE2 LYS 48 HE2 LYS 48 -13.506 -4.709 2.199 913 HE3 LYS 48 HE1 LYS 48 -13.135 -3.520 0.952 914 HZ1 LYS 48 HZ1 LYS 48 -13.243 -6.414 0.340 915 HZ2 LYS 48 HZ2 LYS 48 -13.353 -5.103 -0.733 916 HZ3 LYS 48 HZ3 LYS 48 -14.637 -5.450 0.318 917 H TYR 49 HN TYR 49 -9.120 -3.316 5.501 918 HA TYR 49 HA TYR 49 -9.123 -2.922 7.742 919 HB2 TYR 49 HB2 TYR 49 -8.555 -0.625 7.464 920 HB3 TYR 49 HB1 TYR 49 -10.181 -0.250 6.910 921 HD1 TYR 49 HD2 TYR 49 -8.678 -1.885 9.935 922 HD2 TYR 49 HD1 TYR 49 -11.463 0.941 8.396 923 HE1 TYR 49 HE2 TYR 49 -9.390 -1.347 12.224 924 HE2 TYR 49 HE1 TYR 49 -12.187 1.481 10.681 925 HH TYR 49 HH TYR 49 -12.198 0.278 12.932 926 H SER 50 HN SER 50 -12.077 -1.518 6.334 927 HA SER 50 HA SER 50 -13.697 -1.772 8.547 928 HB2 SER 50 HB2 SER 50 -14.199 -0.523 6.398 929 HB3 SER 50 HB1 SER 50 -14.699 -2.071 5.714 930 HG SER 50 HG SER 50 -16.115 -2.150 7.697 931 HA PRO 51 HA PRO 51 -14.675 -6.269 7.506 932 HB2 PRO 51 HB2 PRO 51 -14.074 -7.399 5.206 933 HB3 PRO 51 HB1 PRO 51 -15.432 -6.274 5.299 934 HG2 PRO 51 HG2 PRO 51 -12.663 -5.836 4.256 935 HG3 PRO 51 HG1 PRO 51 -14.209 -5.266 3.603 936 HD2 PRO 51 HD2 PRO 51 -12.477 -3.777 5.191 937 HD3 PRO 51 HD1 PRO 51 -14.189 -3.421 4.912 938 H ILE 52 HN ILE 52 -11.856 -4.880 7.662 939 HA ILE 52 HA ILE 52 -9.656 -5.401 7.950 940 HB ILE 52 HB ILE 52 -10.311 -8.122 8.948 941 HG12 ILE 52 HG12 ILE 52 -11.426 -5.584 10.169 942 HG13 ILE 52 HG11 ILE 52 -12.345 -6.968 9.564 943 HG21 ILE 52 HG21 ILE 52 -8.897 -7.399 10.810 944 HG22 ILE 52 HG22 ILE 52 -8.856 -5.762 10.156 945 HG23 ILE 52 HG23 ILE 52 -8.095 -7.082 9.272 946 HD11 ILE 52 HD11 ILE 52 -12.271 -6.938 11.994 947 HD12 ILE 52 HD12 ILE 52 -10.507 -6.983 11.953 948 HD13 ILE 52 HD13 ILE 52 -11.439 -8.354 11.352 949 H SER 53 HN SER 53 -8.714 -8.314 7.911 950 HA SER 53 HA SER 53 -8.300 -8.408 5.062 951 HB2 SER 53 HB2 SER 53 -7.227 -10.035 7.360 952 HB3 SER 53 HB1 SER 53 -6.979 -10.542 5.691 953 HG SER 53 HG SER 53 -5.824 -8.695 5.290 954 H GLU 54 HN GLU 54 -10.595 -8.776 4.586 955 HA GLU 54 HA GLU 54 -12.255 -10.114 3.801 956 HB2 GLU 54 HB2 GLU 54 -10.388 -11.461 2.906 957 HB3 GLU 54 HB1 GLU 54 -10.337 -12.370 4.407 958 HG2 GLU 54 HG2 GLU 54 -12.615 -13.180 3.969 959 HG3 GLU 54 HG1 GLU 54 -12.603 -12.314 2.430 960 H LEU 55 HN LEU 55 -13.570 -9.501 5.546 961 HA LEU 55 HA LEU 55 -13.549 -10.865 8.047 962 HB2 LEU 55 HB2 LEU 55 -14.477 -8.496 7.360 963 HB3 LEU 55 HB1 LEU 55 -15.948 -9.390 7.032 964 HG LEU 55 HG LEU 55 -15.922 -8.338 9.275 965 HD11 LEU 55 HD11 LEU 55 -17.310 -10.298 8.902 966 HD12 LEU 55 HD12 LEU 55 -16.650 -10.305 10.537 967 HD13 LEU 55 HD13 LEU 55 -15.955 -11.352 9.299 968 HD21 LEU 55 HD21 LEU 55 -13.521 -8.537 9.709 969 HD22 LEU 55 HD22 LEU 55 -13.693 -10.289 9.839 970 HD23 LEU 55 HD23 LEU 55 -14.479 -9.235 11.015 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 7.125 -12.926 13.660 2 H2 MET 1 HT2 MET 1 6.207 -11.531 13.970 3 H3 MET 1 HT3 MET 1 7.896 -11.426 13.844 4 HA MET 1 HA MET 1 7.817 -12.012 11.533 5 HB2 MET 1 HB2 MET 1 4.815 -12.017 11.953 6 HB3 MET 1 HB1 MET 1 5.620 -12.145 10.395 7 HG2 MET 1 HG2 MET 1 6.647 -14.250 11.107 8 HG3 MET 1 HG1 MET 1 5.812 -14.125 12.653 9 HE1 MET 1 HE1 MET 1 4.764 -16.531 12.364 10 HE2 MET 1 HE2 MET 1 5.643 -16.696 10.845 11 HE3 MET 1 HE3 MET 1 3.918 -17.060 10.910 12 H LYS 2 HN LYS 2 6.387 -10.434 9.848 13 HA LYS 2 HA LYS 2 6.892 -7.784 10.853 14 HB2 LYS 2 HB2 LYS 2 6.034 -8.870 8.195 15 HB3 LYS 2 HB1 LYS 2 5.937 -7.147 8.531 16 HG2 LYS 2 HG2 LYS 2 8.485 -8.670 8.932 17 HG3 LYS 2 HG1 LYS 2 8.020 -8.053 7.347 18 HD2 LYS 2 HD2 LYS 2 9.548 -6.536 8.595 19 HD3 LYS 2 HD1 LYS 2 8.012 -5.787 8.167 20 HE2 LYS 2 HE2 LYS 2 7.199 -6.008 10.402 21 HE3 LYS 2 HE1 LYS 2 8.577 -7.012 10.863 22 HZ1 LYS 2 HZ1 LYS 2 8.829 -4.180 10.002 23 HZ2 LYS 2 HZ2 LYS 2 10.034 -5.155 10.683 24 HZ3 LYS 2 HZ3 LYS 2 8.707 -4.661 11.621 25 H ALA 3 HN ALA 3 4.431 -7.323 8.867 26 HA ALA 3 HA ALA 3 2.292 -6.653 9.065 27 HB1 ALA 3 HB1 ALA 3 1.858 -8.964 9.763 28 HB2 ALA 3 HB2 ALA 3 0.781 -7.822 10.568 29 HB3 ALA 3 HB3 ALA 3 2.153 -8.506 11.440 30 H THR 4 HN THR 4 2.170 -4.591 9.524 31 HA THR 4 HA THR 4 2.817 -3.650 12.194 32 HB THR 4 HB THR 4 2.602 -1.374 11.066 33 HG1 THR 4 HG1 THR 4 1.647 -1.745 9.137 34 HG21 THR 4 HG21 THR 4 4.757 -2.430 11.634 35 HG22 THR 4 HG22 THR 4 4.852 -1.511 10.133 36 HG23 THR 4 HG23 THR 4 4.740 -3.270 10.082 37 H GLY 5 HN GLY 5 0.229 -3.367 9.815 38 HA2 GLY 5 HA2 GLY 5 -2.063 -3.343 10.156 39 HA3 GLY 5 HA1 GLY 5 -1.726 -3.706 11.849 40 H ILE 6 HN ILE 6 -0.834 -0.921 9.842 41 HA ILE 6 HA ILE 6 -2.258 0.793 11.762 42 HB ILE 6 HB ILE 6 -0.081 1.637 11.713 43 HG12 ILE 6 HG12 ILE 6 -0.142 3.761 10.434 44 HG13 ILE 6 HG11 ILE 6 -1.552 3.172 9.559 45 HG21 ILE 6 HG21 ILE 6 -0.027 1.210 8.734 46 HG22 ILE 6 HG22 ILE 6 0.850 0.288 9.957 47 HG23 ILE 6 HG23 ILE 6 1.255 1.982 9.669 48 HD11 ILE 6 HD11 ILE 6 -2.751 3.033 11.735 49 HD12 ILE 6 HD12 ILE 6 -2.290 4.666 11.256 50 HD13 ILE 6 HD13 ILE 6 -1.361 3.813 12.492 51 H VAL 7 HN VAL 7 -4.235 1.321 11.094 52 HA VAL 7 HA VAL 7 -4.894 1.068 8.291 53 HB VAL 7 HB VAL 7 -6.561 1.552 10.741 54 HG11 VAL 7 HG11 VAL 7 -8.538 1.663 9.343 55 HG12 VAL 7 HG12 VAL 7 -7.546 1.540 7.889 56 HG13 VAL 7 HG13 VAL 7 -7.437 2.974 8.910 57 HG21 VAL 7 HG21 VAL 7 -6.544 -0.615 8.647 58 HG22 VAL 7 HG22 VAL 7 -7.574 -0.561 10.077 59 HG23 VAL 7 HG23 VAL 7 -5.825 -0.729 10.255 60 H ARG 8 HN ARG 8 -5.364 2.677 6.876 61 HA ARG 8 HA ARG 8 -5.116 5.431 7.789 62 HB2 ARG 8 HB2 ARG 8 -2.995 5.214 6.862 63 HB3 ARG 8 HB1 ARG 8 -3.473 3.873 5.850 64 HG2 ARG 8 HG2 ARG 8 -2.814 5.875 4.569 65 HG3 ARG 8 HG1 ARG 8 -4.461 5.337 4.224 66 HD2 ARG 8 HD2 ARG 8 -4.329 7.761 4.407 67 HD3 ARG 8 HD1 ARG 8 -5.347 7.066 5.669 68 HE ARG 8 HE ARG 8 -2.716 7.396 6.648 69 HH11 ARG 8 HH11 ARG 8 -5.532 9.239 5.701 70 HH12 ARG 8 HH12 ARG 8 -5.215 10.550 6.793 71 HH21 ARG 8 HH21 ARG 8 -2.256 9.104 8.066 72 HH22 ARG 8 HH22 ARG 8 -3.311 10.478 8.142 73 H ARG 9 HN ARG 9 -7.058 6.341 7.204 74 HA ARG 9 HA ARG 9 -8.554 5.345 4.944 75 HB2 ARG 9 HB2 ARG 9 -9.580 6.464 6.979 76 HB3 ARG 9 HB1 ARG 9 -8.955 7.985 6.330 77 HG2 ARG 9 HG2 ARG 9 -10.291 7.820 4.402 78 HG3 ARG 9 HG1 ARG 9 -10.766 6.164 4.780 79 HD2 ARG 9 HD2 ARG 9 -12.588 7.552 5.405 80 HD3 ARG 9 HD1 ARG 9 -11.777 7.081 6.900 81 HE ARG 9 HE ARG 9 -10.639 9.481 6.127 82 HH11 ARG 9 HH11 ARG 9 -13.822 8.340 7.071 83 HH12 ARG 9 HH12 ARG 9 -14.339 9.887 7.672 84 HH21 ARG 9 HH21 ARG 9 -11.317 11.513 6.919 85 HH22 ARG 9 HH22 ARG 9 -12.904 11.683 7.609 86 H ILE 10 HN ILE 10 -7.791 5.624 3.033 87 HA ILE 10 HA ILE 10 -5.835 6.757 1.851 88 HB ILE 10 HB ILE 10 -7.507 7.593 -0.059 89 HG12 ILE 10 HG12 ILE 10 -9.647 6.506 -0.022 90 HG13 ILE 10 HG11 ILE 10 -9.203 5.546 1.386 91 HG21 ILE 10 HG21 ILE 10 -7.549 5.208 -0.798 92 HG22 ILE 10 HG22 ILE 10 -6.860 4.785 0.775 93 HG23 ILE 10 HG23 ILE 10 -5.963 5.823 -0.333 94 HD11 ILE 10 HD11 ILE 10 -9.114 7.755 2.647 95 HD12 ILE 10 HD12 ILE 10 -10.691 7.108 2.200 96 HD13 ILE 10 HD13 ILE 10 -9.984 8.422 1.261 97 H ASP 11 HN ASP 11 -8.219 8.970 0.796 98 HA ASP 11 HA ASP 11 -8.156 11.155 2.330 99 HB2 ASP 11 HB2 ASP 11 -6.350 12.574 1.758 100 HB3 ASP 11 HB1 ASP 11 -5.598 11.024 2.057 101 H ASP 12 HN ASP 12 -7.669 13.181 0.365 102 HA ASP 12 HA ASP 12 -10.119 12.940 -1.088 103 HB2 ASP 12 HB2 ASP 12 -7.913 14.990 -1.373 104 HB3 ASP 12 HB1 ASP 12 -9.534 15.131 -2.043 105 H LEU 13 HN LEU 13 -6.828 12.178 -1.748 106 HA LEU 13 HA LEU 13 -7.384 11.928 -4.622 107 HB2 LEU 13 HB2 LEU 13 -5.361 13.195 -3.781 108 HB3 LEU 13 HB1 LEU 13 -4.724 11.662 -3.235 109 HG LEU 13 HG LEU 13 -3.854 12.538 -5.444 110 HD11 LEU 13 HD11 LEU 13 -5.105 9.803 -5.421 111 HD12 LEU 13 HD12 LEU 13 -3.528 10.230 -4.754 112 HD13 LEU 13 HD13 LEU 13 -3.811 10.340 -6.494 113 HD21 LEU 13 HD21 LEU 13 -5.971 13.322 -6.349 114 HD22 LEU 13 HD22 LEU 13 -6.577 11.666 -6.382 115 HD23 LEU 13 HD23 LEU 13 -5.226 12.132 -7.417 116 H GLY 14 HN GLY 14 -5.649 10.057 -2.086 117 HA2 GLY 14 HA2 GLY 14 -6.825 7.741 -1.939 118 HA3 GLY 14 HA1 GLY 14 -6.251 7.627 -3.595 119 H ARG 15 HN ARG 15 -4.226 9.390 -1.414 120 HA ARG 15 HA ARG 15 -2.126 7.493 -1.839 121 HB2 ARG 15 HB2 ARG 15 -2.180 9.792 0.104 122 HB3 ARG 15 HB1 ARG 15 -0.763 8.858 -0.352 123 HG2 ARG 15 HG2 ARG 15 -0.408 10.517 -1.780 124 HG3 ARG 15 HG1 ARG 15 -1.648 9.726 -2.764 125 HD2 ARG 15 HD2 ARG 15 -3.328 11.128 -1.980 126 HD3 ARG 15 HD1 ARG 15 -2.335 11.682 -0.622 127 HE ARG 15 HE ARG 15 -1.048 12.402 -3.014 128 HH11 ARG 15 HH11 ARG 15 -4.000 13.225 -1.277 129 HH12 ARG 15 HH12 ARG 15 -3.997 14.868 -1.842 130 HH21 ARG 15 HH21 ARG 15 -1.070 14.554 -3.728 131 HH22 ARG 15 HH22 ARG 15 -2.351 15.622 -3.233 132 H VAL 16 HN VAL 16 -1.238 6.081 -0.455 133 HA VAL 16 HA VAL 16 -2.578 5.739 2.121 134 HB VAL 16 HB VAL 16 -0.732 3.845 0.651 135 HG11 VAL 16 HG11 VAL 16 -2.265 3.473 3.218 136 HG12 VAL 16 HG12 VAL 16 -0.516 3.656 3.073 137 HG13 VAL 16 HG13 VAL 16 -1.315 2.239 2.391 138 HG21 VAL 16 HG21 VAL 16 -2.917 4.031 -0.405 139 HG22 VAL 16 HG22 VAL 16 -3.706 3.733 1.144 140 HG23 VAL 16 HG23 VAL 16 -2.744 2.465 0.386 141 H VAL 17 HN VAL 17 -1.654 7.219 3.340 142 HA VAL 17 HA VAL 17 1.005 8.112 2.964 143 HB VAL 17 HB VAL 17 -0.850 8.599 5.305 144 HG11 VAL 17 HG11 VAL 17 0.527 10.612 5.667 145 HG12 VAL 17 HG12 VAL 17 1.626 10.060 4.400 146 HG13 VAL 17 HG13 VAL 17 1.438 9.117 5.881 147 HG21 VAL 17 HG21 VAL 17 -0.410 10.220 2.788 148 HG22 VAL 17 HG22 VAL 17 -1.407 10.705 4.160 149 HG23 VAL 17 HG23 VAL 17 -1.858 9.301 3.195 150 H ILE 18 HN ILE 18 2.538 6.605 3.266 151 HA ILE 18 HA ILE 18 2.410 4.892 5.624 152 HB ILE 18 HB ILE 18 3.904 4.668 3.014 153 HG12 ILE 18 HG12 ILE 18 1.891 2.949 4.481 154 HG13 ILE 18 HG11 ILE 18 1.639 3.846 2.989 155 HG21 ILE 18 HG21 ILE 18 4.331 2.978 5.483 156 HG22 ILE 18 HG22 ILE 18 5.503 4.074 4.750 157 HG23 ILE 18 HG23 ILE 18 4.978 2.633 3.878 158 HD11 ILE 18 HD11 ILE 18 1.883 1.480 2.556 159 HD12 ILE 18 HD12 ILE 18 3.462 1.481 3.342 160 HD13 ILE 18 HD13 ILE 18 3.220 2.382 1.844 161 HA PRO 19 HA PRO 19 5.291 7.619 7.738 162 HB2 PRO 19 HB2 PRO 19 5.318 5.025 9.216 163 HB3 PRO 19 HB1 PRO 19 5.360 6.677 9.852 164 HG2 PRO 19 HG2 PRO 19 3.076 5.358 9.860 165 HG3 PRO 19 HG1 PRO 19 3.101 7.051 9.321 166 HD2 PRO 19 HD2 PRO 19 2.893 4.553 7.699 167 HD3 PRO 19 HD1 PRO 19 2.135 6.139 7.437 168 H LYS 20 HN LYS 20 7.472 7.715 7.925 169 HA LYS 20 HA LYS 20 9.094 6.118 6.237 170 HB2 LYS 20 HB2 LYS 20 11.017 7.248 7.465 171 HB3 LYS 20 HB1 LYS 20 9.909 8.292 6.600 172 HG2 LYS 20 HG2 LYS 20 9.606 7.787 9.535 173 HG3 LYS 20 HG1 LYS 20 10.707 9.018 8.915 174 HD2 LYS 20 HD2 LYS 20 7.836 8.916 8.061 175 HD3 LYS 20 HD1 LYS 20 8.313 9.709 9.563 176 HE2 LYS 20 HE2 LYS 20 8.209 11.387 7.864 177 HE3 LYS 20 HE1 LYS 20 9.907 11.106 8.229 178 HZ1 LYS 20 HZ1 LYS 20 9.672 11.270 5.889 179 HZ2 LYS 20 HZ2 LYS 20 8.396 10.156 5.849 180 HZ3 LYS 20 HZ3 LYS 20 9.963 9.637 6.225 181 H GLU 21 HN GLU 21 7.907 5.505 9.394 182 HA GLU 21 HA GLU 21 10.048 3.936 10.345 183 HB2 GLU 21 HB2 GLU 21 8.436 2.924 11.862 184 HB3 GLU 21 HB1 GLU 21 8.250 4.670 11.803 185 HG2 GLU 21 HG2 GLU 21 6.368 4.334 10.207 186 HG3 GLU 21 HG1 GLU 21 6.508 2.603 10.510 187 H ILE 22 HN ILE 22 7.797 3.347 7.802 188 HA ILE 22 HA ILE 22 8.187 0.460 7.937 189 HB ILE 22 HB ILE 22 6.565 2.091 5.967 190 HG12 ILE 22 HG12 ILE 22 4.779 0.565 7.303 191 HG13 ILE 22 HG11 ILE 22 5.989 0.790 8.561 192 HG21 ILE 22 HG21 ILE 22 7.383 0.034 4.958 193 HG22 ILE 22 HG22 ILE 22 5.648 -0.080 5.260 194 HG23 ILE 22 HG23 ILE 22 6.786 -0.897 6.333 195 HD11 ILE 22 HD11 ILE 22 5.782 3.192 8.367 196 HD12 ILE 22 HD12 ILE 22 4.223 2.442 8.713 197 HD13 ILE 22 HD13 ILE 22 4.594 2.994 7.079 198 H ARG 23 HN ARG 23 8.794 3.236 5.805 199 HA ARG 23 HA ARG 23 10.530 1.975 3.981 200 HB2 ARG 23 HB2 ARG 23 11.193 4.171 3.317 201 HB3 ARG 23 HB1 ARG 23 9.493 4.239 3.745 202 HG2 ARG 23 HG2 ARG 23 10.308 6.145 4.641 203 HG3 ARG 23 HG1 ARG 23 10.247 5.032 5.992 204 HD2 ARG 23 HD2 ARG 23 12.440 5.101 6.303 205 HD3 ARG 23 HD1 ARG 23 12.776 5.034 4.582 206 HE ARG 23 HE ARG 23 11.864 7.572 4.947 207 HH11 ARG 23 HH11 ARG 23 14.388 5.641 6.423 208 HH12 ARG 23 HH12 ARG 23 15.390 7.001 6.813 209 HH21 ARG 23 HH21 ARG 23 13.201 9.379 5.422 210 HH22 ARG 23 HH22 ARG 23 14.706 9.125 6.270 211 H ARG 24 HN ARG 24 10.864 3.132 7.152 212 HA ARG 24 HA ARG 24 13.616 3.049 7.489 213 HB2 ARG 24 HB2 ARG 24 12.121 4.054 9.097 214 HB3 ARG 24 HB1 ARG 24 11.406 2.493 9.461 215 HG2 ARG 24 HG2 ARG 24 13.539 1.745 10.382 216 HG3 ARG 24 HG1 ARG 24 14.230 3.341 10.044 217 HD2 ARG 24 HD2 ARG 24 12.276 4.279 11.417 218 HD3 ARG 24 HD1 ARG 24 12.045 2.620 11.976 219 HE ARG 24 HE ARG 24 14.595 2.911 12.570 220 HH11 ARG 24 HH11 ARG 24 11.930 5.147 13.049 221 HH12 ARG 24 HH12 ARG 24 12.695 5.968 14.373 222 HH21 ARG 24 HH21 ARG 24 15.571 3.975 14.356 223 HH22 ARG 24 HH22 ARG 24 14.748 5.307 15.112 224 H THR 25 HN THR 25 11.172 0.444 8.341 225 HA THR 25 HA THR 25 13.070 -1.537 8.727 226 HB THR 25 HB THR 25 10.267 -1.820 7.616 227 HG1 THR 25 HG1 THR 25 11.239 -1.176 10.141 228 HG21 THR 25 HG21 THR 25 10.329 -4.041 8.660 229 HG22 THR 25 HG22 THR 25 12.009 -3.767 9.126 230 HG23 THR 25 HG23 THR 25 11.572 -3.868 7.420 231 H LEU 26 HN LEU 26 11.637 -0.247 5.795 232 HA LEU 26 HA LEU 26 12.547 -2.181 3.960 233 HB2 LEU 26 HB2 LEU 26 11.575 0.601 3.856 234 HB3 LEU 26 HB1 LEU 26 12.664 0.167 2.546 235 HG LEU 26 HG LEU 26 10.359 -0.123 1.853 236 HD11 LEU 26 HD11 LEU 26 11.757 -2.757 2.272 237 HD12 LEU 26 HD12 LEU 26 12.015 -1.634 0.937 238 HD13 LEU 26 HD13 LEU 26 10.461 -2.447 1.115 239 HD21 LEU 26 HD21 LEU 26 8.901 -1.780 2.897 240 HD22 LEU 26 HD22 LEU 26 9.350 -0.522 4.050 241 HD23 LEU 26 HD23 LEU 26 10.128 -2.105 4.120 242 H ARG 27 HN ARG 27 14.174 0.114 5.832 243 HA ARG 27 HA ARG 27 16.316 0.724 6.088 244 HB2 ARG 27 HB2 ARG 27 16.779 -1.507 4.136 245 HB3 ARG 27 HB1 ARG 27 18.062 -0.671 5.006 246 HG2 ARG 27 HG2 ARG 27 15.795 -2.164 6.281 247 HG3 ARG 27 HG1 ARG 27 17.414 -2.821 6.036 248 HD2 ARG 27 HD2 ARG 27 18.348 -1.173 7.517 249 HD3 ARG 27 HD1 ARG 27 16.797 -0.339 7.632 250 HE ARG 27 HE ARG 27 15.945 -2.322 8.800 251 HH11 ARG 27 HH11 ARG 27 19.421 -1.971 8.559 252 HH12 ARG 27 HH12 ARG 27 19.737 -2.849 10.027 253 HH21 ARG 27 HH21 ARG 27 16.355 -3.470 10.725 254 HH22 ARG 27 HH22 ARG 27 17.992 -3.707 11.256 255 H ILE 28 HN ILE 28 14.501 1.739 4.028 256 HA ILE 28 HA ILE 28 16.452 3.014 2.230 257 HB ILE 28 HB ILE 28 13.581 2.428 1.461 258 HG12 ILE 28 HG12 ILE 28 16.035 0.756 0.836 259 HG13 ILE 28 HG11 ILE 28 14.807 0.320 2.017 260 HG21 ILE 28 HG21 ILE 28 16.087 3.246 -0.013 261 HG22 ILE 28 HG22 ILE 28 14.512 4.045 0.000 262 HG23 ILE 28 HG23 ILE 28 14.720 2.519 -0.852 263 HD11 ILE 28 HD11 ILE 28 14.251 0.733 -0.904 264 HD12 ILE 28 HD12 ILE 28 13.169 0.062 0.320 265 HD13 ILE 28 HD13 ILE 28 14.611 -0.831 -0.167 266 H ARG 29 HN ARG 29 14.664 4.954 1.194 267 HA ARG 29 HA ARG 29 13.669 6.347 3.529 268 HB2 ARG 29 HB2 ARG 29 14.954 8.416 2.808 269 HB3 ARG 29 HB1 ARG 29 15.864 7.141 3.604 270 HG2 ARG 29 HG2 ARG 29 17.158 7.962 1.781 271 HG3 ARG 29 HG1 ARG 29 16.589 6.344 1.363 272 HD2 ARG 29 HD2 ARG 29 14.807 7.296 0.015 273 HD3 ARG 29 HD1 ARG 29 15.324 8.925 0.466 274 HE ARG 29 HE ARG 29 17.265 7.190 -0.890 275 HH11 ARG 29 HH11 ARG 29 15.129 9.974 -0.984 276 HH12 ARG 29 HH12 ARG 29 15.854 10.637 -2.421 277 HH21 ARG 29 HH21 ARG 29 18.219 8.072 -2.757 278 HH22 ARG 29 HH22 ARG 29 17.603 9.549 -3.430 279 H GLU 30 HN GLU 30 13.495 8.871 2.285 280 HA GLU 30 HA GLU 30 11.015 8.537 0.923 281 HB2 GLU 30 HB2 GLU 30 12.713 10.866 1.724 282 HB3 GLU 30 HB1 GLU 30 11.345 11.104 0.639 283 HG2 GLU 30 HG2 GLU 30 10.540 11.510 2.805 284 HG3 GLU 30 HG1 GLU 30 9.934 9.931 2.310 285 H GLY 31 HN GLY 31 12.803 7.190 -0.471 286 HA2 GLY 31 HA2 GLY 31 12.362 8.223 -3.110 287 HA3 GLY 31 HA1 GLY 31 14.079 8.142 -2.682 288 H ASP 32 HN ASP 32 11.887 5.968 -1.231 289 HA ASP 32 HA ASP 32 12.974 3.663 -2.640 290 HB2 ASP 32 HB2 ASP 32 12.669 3.519 -0.208 291 HB3 ASP 32 HB1 ASP 32 10.960 3.902 -0.389 292 HA PRO 33 HA PRO 33 9.355 3.606 -5.230 293 HB2 PRO 33 HB2 PRO 33 10.241 1.274 -6.534 294 HB3 PRO 33 HB1 PRO 33 10.424 2.938 -7.098 295 HG2 PRO 33 HG2 PRO 33 12.500 1.230 -6.285 296 HG3 PRO 33 HG1 PRO 33 12.615 2.978 -6.540 297 HD2 PRO 33 HD2 PRO 33 12.358 1.447 -3.997 298 HD3 PRO 33 HD1 PRO 33 13.144 3.011 -4.308 299 H LEU 34 HN LEU 34 7.484 2.332 -5.301 300 HA LEU 34 HA LEU 34 7.719 -0.330 -4.188 301 HB2 LEU 34 HB2 LEU 34 5.323 1.297 -3.444 302 HB3 LEU 34 HB1 LEU 34 5.966 -0.151 -2.679 303 HG LEU 34 HG LEU 34 7.970 1.733 -2.334 304 HD11 LEU 34 HD11 LEU 34 6.482 3.507 -3.052 305 HD12 LEU 34 HD12 LEU 34 6.845 3.651 -1.331 306 HD13 LEU 34 HD13 LEU 34 5.287 3.009 -1.855 307 HD21 LEU 34 HD21 LEU 34 5.760 0.927 -0.443 308 HD22 LEU 34 HD22 LEU 34 7.311 1.628 0.019 309 HD23 LEU 34 HD23 LEU 34 7.253 0.032 -0.730 310 H GLU 35 HN GLU 35 6.055 -1.661 -4.771 311 HA GLU 35 HA GLU 35 4.889 -0.955 -7.388 312 HB2 GLU 35 HB2 GLU 35 6.479 -2.844 -7.570 313 HB3 GLU 35 HB1 GLU 35 5.546 -3.723 -6.368 314 HG2 GLU 35 HG2 GLU 35 3.620 -3.781 -7.847 315 HG3 GLU 35 HG1 GLU 35 4.511 -2.857 -9.060 316 H ILE 36 HN ILE 36 2.839 -0.470 -7.183 317 HA ILE 36 HA ILE 36 1.307 -1.490 -4.944 318 HB ILE 36 HB ILE 36 0.731 0.545 -7.118 319 HG12 ILE 36 HG12 ILE 36 0.481 2.064 -5.081 320 HG13 ILE 36 HG11 ILE 36 1.213 0.764 -4.152 321 HG21 ILE 36 HG21 ILE 36 -1.332 -0.624 -6.639 322 HG22 ILE 36 HG22 ILE 36 -1.391 1.019 -6.001 323 HG23 ILE 36 HG23 ILE 36 -1.116 -0.341 -4.912 324 HD11 ILE 36 HD11 ILE 36 3.232 0.925 -5.484 325 HD12 ILE 36 HD12 ILE 36 2.826 2.485 -4.768 326 HD13 ILE 36 HD13 ILE 36 2.493 2.182 -6.473 327 H PHE 37 HN PHE 37 0.522 -3.451 -5.225 328 HA PHE 37 HA PHE 37 -1.237 -3.889 -7.477 329 HB2 PHE 37 HB2 PHE 37 -0.156 -5.608 -8.511 330 HB3 PHE 37 HB1 PHE 37 1.255 -4.791 -7.870 331 HD1 PHE 37 HD2 PHE 37 2.529 -5.743 -6.035 332 HD2 PHE 37 HD1 PHE 37 -0.901 -7.727 -7.581 333 HE1 PHE 37 HE2 PHE 37 3.202 -7.811 -4.880 334 HE2 PHE 37 HE1 PHE 37 -0.235 -9.794 -6.430 335 HZ PHE 37 HZ PHE 37 1.821 -9.839 -5.079 336 H VAL 38 HN VAL 38 -3.027 -4.835 -6.816 337 HA VAL 38 HA VAL 38 -3.161 -5.708 -4.061 338 HB VAL 38 HB VAL 38 -5.039 -4.437 -4.659 339 HG11 VAL 38 HG11 VAL 38 -5.277 -6.097 -7.165 340 HG12 VAL 38 HG12 VAL 38 -4.758 -4.413 -7.062 341 HG13 VAL 38 HG13 VAL 38 -6.421 -4.850 -6.667 342 HG21 VAL 38 HG21 VAL 38 -6.974 -5.948 -4.575 343 HG22 VAL 38 HG22 VAL 38 -5.713 -6.429 -3.438 344 HG23 VAL 38 HG23 VAL 38 -5.916 -7.308 -4.953 345 H ASP 39 HN ASP 39 -3.357 -7.644 -3.311 346 HA ASP 39 HA ASP 39 -2.440 -9.791 -4.983 347 HB2 ASP 39 HB2 ASP 39 -1.655 -9.361 -2.624 348 HB3 ASP 39 HB1 ASP 39 -3.246 -9.913 -2.075 349 H ARG 40 HN ARG 40 -5.330 -9.119 -3.062 350 HA ARG 40 HA ARG 40 -6.592 -11.444 -4.267 351 HB2 ARG 40 HB2 ARG 40 -7.526 -11.661 -1.747 352 HB3 ARG 40 HB1 ARG 40 -6.148 -12.549 -2.377 353 HG2 ARG 40 HG2 ARG 40 -4.872 -10.368 -1.611 354 HG3 ARG 40 HG1 ARG 40 -6.225 -10.276 -0.493 355 HD2 ARG 40 HD2 ARG 40 -4.441 -12.662 -0.875 356 HD3 ARG 40 HD1 ARG 40 -4.285 -11.490 0.432 357 HE ARG 40 HE ARG 40 -6.888 -12.463 0.509 358 HH11 ARG 40 HH11 ARG 40 -3.638 -13.700 0.901 359 HH12 ARG 40 HH12 ARG 40 -4.107 -14.925 2.048 360 HH21 ARG 40 HH21 ARG 40 -7.521 -14.074 1.972 361 HH22 ARG 40 HH22 ARG 40 -6.328 -15.152 2.637 362 H ASP 41 HN ASP 41 -7.967 -9.790 -1.543 363 HA ASP 41 HA ASP 41 -10.296 -9.241 -3.201 364 HB2 ASP 41 HB2 ASP 41 -10.702 -10.343 -1.074 365 HB3 ASP 41 HB1 ASP 41 -9.900 -9.035 -0.211 366 H GLY 42 HN GLY 42 -8.794 -7.391 -0.593 367 HA2 GLY 42 HA2 GLY 42 -8.844 -5.014 -2.319 368 HA3 GLY 42 HA1 GLY 42 -9.641 -4.956 -0.751 369 H GLU 43 HN GLU 43 -6.824 -6.873 -1.088 370 HA GLU 43 HA GLU 43 -5.371 -5.033 0.652 371 HB2 GLU 43 HB2 GLU 43 -4.239 -7.669 -0.173 372 HB3 GLU 43 HB1 GLU 43 -4.129 -6.842 1.375 373 HG2 GLU 43 HG2 GLU 43 -6.709 -7.358 1.429 374 HG3 GLU 43 HG1 GLU 43 -6.231 -8.644 0.315 375 H VAL 44 HN VAL 44 -4.170 -3.578 -0.366 376 HA VAL 44 HA VAL 44 -3.007 -4.198 -2.961 377 HB VAL 44 HB VAL 44 -2.375 -1.646 -1.583 378 HG11 VAL 44 HG11 VAL 44 -1.470 -2.111 -3.772 379 HG12 VAL 44 HG12 VAL 44 -2.632 -0.788 -3.882 380 HG13 VAL 44 HG13 VAL 44 -3.084 -2.410 -4.413 381 HG21 VAL 44 HG21 VAL 44 -5.093 -2.233 -2.774 382 HG22 VAL 44 HG22 VAL 44 -4.508 -0.638 -2.302 383 HG23 VAL 44 HG23 VAL 44 -4.749 -1.887 -1.078 384 H ILE 45 HN ILE 45 -0.934 -4.610 -3.265 385 HA ILE 45 HA ILE 45 0.775 -4.787 -0.868 386 HB ILE 45 HB ILE 45 0.703 -6.430 -3.400 387 HG12 ILE 45 HG12 ILE 45 0.466 -8.322 -1.843 388 HG13 ILE 45 HG11 ILE 45 0.535 -7.212 -0.477 389 HG21 ILE 45 HG21 ILE 45 2.696 -7.620 -2.530 390 HG22 ILE 45 HG22 ILE 45 2.845 -6.391 -1.272 391 HG23 ILE 45 HG23 ILE 45 3.020 -5.943 -2.970 392 HD11 ILE 45 HD11 ILE 45 -1.616 -7.287 -2.569 393 HD12 ILE 45 HD12 ILE 45 -1.563 -6.254 -1.131 394 HD13 ILE 45 HD13 ILE 45 -1.711 -8.005 -0.960 395 H LEU 46 HN LEU 46 2.265 -3.262 -0.872 396 HA LEU 46 HA LEU 46 3.290 -2.200 -3.429 397 HB2 LEU 46 HB2 LEU 46 3.875 -0.769 -0.913 398 HB3 LEU 46 HB1 LEU 46 3.363 -0.136 -2.466 399 HG LEU 46 HG LEU 46 1.453 -1.565 -0.649 400 HD11 LEU 46 HD11 LEU 46 2.094 1.379 -0.702 401 HD12 LEU 46 HD12 LEU 46 2.447 0.260 0.616 402 HD13 LEU 46 HD13 LEU 46 0.775 0.624 0.194 403 HD21 LEU 46 HD21 LEU 46 1.084 0.455 -2.856 404 HD22 LEU 46 HD22 LEU 46 -0.207 -0.259 -1.889 405 HD23 LEU 46 HD23 LEU 46 0.758 -1.274 -2.962 406 H LYS 47 HN LYS 47 5.300 -3.045 -3.905 407 HA LYS 47 HA LYS 47 7.083 -3.314 -1.569 408 HB2 LYS 47 HB2 LYS 47 7.667 -5.434 -1.964 409 HB3 LYS 47 HB1 LYS 47 6.129 -5.494 -2.799 410 HG2 LYS 47 HG2 LYS 47 8.683 -4.857 -4.220 411 HG3 LYS 47 HG1 LYS 47 8.145 -6.511 -3.946 412 HD2 LYS 47 HD2 LYS 47 6.772 -4.362 -5.537 413 HD3 LYS 47 HD1 LYS 47 7.442 -5.886 -6.123 414 HE2 LYS 47 HE2 LYS 47 5.683 -6.762 -4.248 415 HE3 LYS 47 HE1 LYS 47 4.863 -5.319 -4.847 416 HZ1 LYS 47 HZ1 LYS 47 5.403 -6.284 -7.148 417 HZ2 LYS 47 HZ2 LYS 47 4.144 -6.986 -6.258 418 HZ3 LYS 47 HZ3 LYS 47 5.653 -7.747 -6.322 419 H LYS 48 HN LYS 48 9.311 -3.253 -1.965 420 HA LYS 48 HA LYS 48 10.115 -0.841 -2.732 421 HB2 LYS 48 HB2 LYS 48 12.433 -2.026 -2.987 422 HB3 LYS 48 HB1 LYS 48 11.598 -1.935 -1.434 423 HG2 LYS 48 HG2 LYS 48 10.577 -4.216 -2.654 424 HG3 LYS 48 HG1 LYS 48 12.301 -4.237 -3.039 425 HD2 LYS 48 HD2 LYS 48 11.162 -3.907 -0.270 426 HD3 LYS 48 HD1 LYS 48 11.739 -5.434 -0.940 427 HE2 LYS 48 HE2 LYS 48 13.959 -4.329 -1.292 428 HE3 LYS 48 HE1 LYS 48 13.344 -2.943 -0.394 429 HZ1 LYS 48 HZ1 LYS 48 13.494 -5.716 0.678 430 HZ2 LYS 48 HZ2 LYS 48 13.038 -4.324 1.531 431 HZ3 LYS 48 HZ3 LYS 48 14.633 -4.493 0.993 432 H TYR 49 HN TYR 49 9.678 -3.333 -5.103 433 HA TYR 49 HA TYR 49 9.548 -3.126 -7.371 434 HB2 TYR 49 HB2 TYR 49 8.889 -0.807 -7.175 435 HB3 TYR 49 HB1 TYR 49 10.566 -0.329 -6.922 436 HD1 TYR 49 HD1 TYR 49 9.138 -2.712 -9.412 437 HD2 TYR 49 HD2 TYR 49 11.121 1.001 -8.772 438 HE1 TYR 49 HE1 TYR 49 9.437 -2.462 -11.837 439 HE2 TYR 49 HE2 TYR 49 11.420 1.259 -11.199 440 HH TYR 49 HH TYR 49 9.779 -0.645 -13.469 441 H SER 50 HN SER 50 12.466 -1.495 -6.140 442 HA SER 50 HA SER 50 14.142 -1.918 -8.282 443 HB2 SER 50 HB2 SER 50 14.583 -0.515 -6.212 444 HB3 SER 50 HB1 SER 50 15.067 -2.008 -5.408 445 HG SER 50 HG SER 50 16.274 -1.690 -7.841 446 HA PRO 51 HA PRO 51 15.119 -6.327 -6.891 447 HB2 PRO 51 HB2 PRO 51 14.181 -7.217 -4.489 448 HB3 PRO 51 HB1 PRO 51 15.754 -6.450 -4.703 449 HG2 PRO 51 HG2 PRO 51 13.416 -5.460 -3.319 450 HG3 PRO 51 HG1 PRO 51 15.037 -4.750 -3.394 451 HD2 PRO 51 HD2 PRO 51 12.622 -4.075 -4.881 452 HD3 PRO 51 HD1 PRO 51 14.110 -3.132 -4.676 453 H ILE 52 HN ILE 52 12.237 -4.987 -7.181 454 HA ILE 52 HA ILE 52 10.065 -5.576 -7.517 455 HB ILE 52 HB ILE 52 10.806 -8.367 -8.244 456 HG12 ILE 52 HG12 ILE 52 11.766 -5.966 -9.826 457 HG13 ILE 52 HG11 ILE 52 12.800 -7.055 -8.902 458 HG21 ILE 52 HG21 ILE 52 9.371 -6.213 -9.806 459 HG22 ILE 52 HG22 ILE 52 8.562 -7.281 -8.666 460 HG23 ILE 52 HG23 ILE 52 9.338 -7.953 -10.098 461 HD11 ILE 52 HD11 ILE 52 12.869 -7.552 -11.278 462 HD12 ILE 52 HD12 ILE 52 11.127 -7.816 -11.287 463 HD13 ILE 52 HD13 ILE 52 12.177 -8.896 -10.370 464 H SER 53 HN SER 53 9.018 -8.385 -7.215 465 HA SER 53 HA SER 53 8.682 -8.371 -4.363 466 HB2 SER 53 HB2 SER 53 7.603 -10.020 -6.620 467 HB3 SER 53 HB1 SER 53 7.481 -10.644 -4.975 468 HG SER 53 HG SER 53 6.229 -8.926 -4.404 469 H GLU 54 HN GLU 54 10.660 -8.754 -3.492 470 HA GLU 54 HA GLU 54 12.642 -9.626 -2.971 471 HB2 GLU 54 HB2 GLU 54 12.776 -12.056 -2.516 472 HB3 GLU 54 HB1 GLU 54 11.394 -11.271 -1.778 473 HG2 GLU 54 HG2 GLU 54 9.953 -12.191 -3.533 474 HG3 GLU 54 HG1 GLU 54 11.351 -12.997 -4.244 475 H LEU 55 HN LEU 55 11.565 -11.849 -5.520 476 HA LEU 55 HA LEU 55 12.776 -10.927 -7.689 477 HB2 LEU 55 HB2 LEU 55 14.918 -11.357 -6.067 478 HB3 LEU 55 HB1 LEU 55 14.817 -12.908 -6.886 479 HG LEU 55 HG LEU 55 16.368 -11.357 -8.012 480 HD11 LEU 55 HD11 LEU 55 13.894 -11.950 -9.634 481 HD12 LEU 55 HD12 LEU 55 15.224 -13.069 -9.328 482 HD13 LEU 55 HD13 LEU 55 15.501 -11.606 -10.273 483 HD21 LEU 55 HD21 LEU 55 13.892 -9.673 -8.436 484 HD22 LEU 55 HD22 LEU 55 15.462 -9.399 -9.200 485 HD23 LEU 55 HD23 LEU 55 15.297 -9.254 -7.450 486 H1 MET 1 HT1 MET 1 -6.288 -13.137 -13.108 487 H2 MET 1 HT2 MET 1 -5.022 -12.022 -12.912 488 H3 MET 1 HT3 MET 1 -6.631 -11.489 -12.905 489 HA MET 1 HA MET 1 -7.089 -12.538 -10.863 490 HB2 MET 1 HB2 MET 1 -5.788 -14.576 -11.236 491 HB3 MET 1 HB1 MET 1 -4.289 -13.671 -11.096 492 HG2 MET 1 HG2 MET 1 -4.838 -13.158 -8.757 493 HG3 MET 1 HG1 MET 1 -6.311 -14.115 -8.910 494 HE1 MET 1 HE1 MET 1 -5.328 -15.329 -6.643 495 HE2 MET 1 HE2 MET 1 -3.822 -14.420 -6.762 496 HE3 MET 1 HE3 MET 1 -3.783 -16.177 -6.615 497 H LYS 2 HN LYS 2 -7.067 -10.162 -10.886 498 HA LYS 2 HA LYS 2 -6.325 -8.077 -10.370 499 HB2 LYS 2 HB2 LYS 2 -5.688 -9.733 -7.965 500 HB3 LYS 2 HB1 LYS 2 -5.297 -8.019 -7.979 501 HG2 LYS 2 HG2 LYS 2 -8.050 -9.112 -8.526 502 HG3 LYS 2 HG1 LYS 2 -7.491 -8.613 -6.932 503 HD2 LYS 2 HD2 LYS 2 -8.808 -6.848 -7.971 504 HD3 LYS 2 HD1 LYS 2 -7.136 -6.333 -7.773 505 HE2 LYS 2 HE2 LYS 2 -6.684 -6.638 -10.088 506 HE3 LYS 2 HE1 LYS 2 -8.225 -7.457 -10.346 507 HZ1 LYS 2 HZ1 LYS 2 -8.033 -4.624 -9.478 508 HZ2 LYS 2 HZ2 LYS 2 -9.397 -5.439 -10.075 509 HZ3 LYS 2 HZ3 LYS 2 -8.102 -5.088 -11.103 510 H ALA 3 HN ALA 3 -3.953 -7.807 -8.438 511 HA ALA 3 HA ALA 3 -1.828 -7.085 -8.603 512 HB1 ALA 3 HB1 ALA 3 -1.316 -9.401 -9.230 513 HB2 ALA 3 HB2 ALA 3 -0.253 -8.255 -10.047 514 HB3 ALA 3 HB3 ALA 3 -1.590 -9.000 -10.925 515 H THR 4 HN THR 4 -1.762 -5.018 -9.124 516 HA THR 4 HA THR 4 -2.420 -4.175 -11.817 517 HB THR 4 HB THR 4 -2.187 -1.860 -10.756 518 HG1 THR 4 HG1 THR 4 -1.303 -2.132 -8.799 519 HG21 THR 4 HG21 THR 4 -4.348 -3.702 -9.731 520 HG22 THR 4 HG22 THR 4 -4.338 -2.941 -11.325 521 HG23 THR 4 HG23 THR 4 -4.443 -1.947 -9.872 522 H GLY 5 HN GLY 5 0.177 -3.721 -9.474 523 HA2 GLY 5 HA2 GLY 5 2.458 -3.669 -9.816 524 HA3 GLY 5 HA1 GLY 5 2.163 -4.101 -11.491 525 H ILE 6 HN ILE 6 1.173 -1.289 -9.583 526 HA ILE 6 HA ILE 6 2.560 0.407 -11.545 527 HB ILE 6 HB ILE 6 0.360 1.174 -11.581 528 HG12 ILE 6 HG12 ILE 6 0.300 3.336 -10.359 529 HG13 ILE 6 HG11 ILE 6 1.700 2.822 -9.427 530 HG21 ILE 6 HG21 ILE 6 -1.070 1.480 -9.615 531 HG22 ILE 6 HG22 ILE 6 0.223 0.852 -8.592 532 HG23 ILE 6 HG23 ILE 6 -0.530 -0.190 -9.799 533 HD11 ILE 6 HD11 ILE 6 3.003 2.707 -11.519 534 HD12 ILE 6 HD12 ILE 6 2.395 4.323 -11.161 535 HD13 ILE 6 HD13 ILE 6 1.603 3.333 -12.391 536 H VAL 7 HN VAL 7 4.486 0.999 -10.861 537 HA VAL 7 HA VAL 7 5.110 0.955 -8.037 538 HB VAL 7 HB VAL 7 6.806 1.350 -10.480 539 HG11 VAL 7 HG11 VAL 7 7.625 2.905 -8.755 540 HG12 VAL 7 HG12 VAL 7 8.750 1.566 -9.002 541 HG13 VAL 7 HG13 VAL 7 7.685 1.577 -7.596 542 HG21 VAL 7 HG21 VAL 7 7.904 -0.683 -9.525 543 HG22 VAL 7 HG22 VAL 7 6.219 -0.919 -9.991 544 HG23 VAL 7 HG23 VAL 7 6.644 -0.717 -8.292 545 H ARG 8 HN ARG 8 5.533 2.676 -6.717 546 HA ARG 8 HA ARG 8 5.420 5.346 -7.855 547 HB2 ARG 8 HB2 ARG 8 3.328 5.568 -6.987 548 HB3 ARG 8 HB1 ARG 8 3.462 4.093 -6.051 549 HG2 ARG 8 HG2 ARG 8 3.043 5.992 -4.595 550 HG3 ARG 8 HG1 ARG 8 4.650 5.331 -4.278 551 HD2 ARG 8 HD2 ARG 8 4.726 7.741 -4.285 552 HD3 ARG 8 HD1 ARG 8 5.637 7.089 -5.653 553 HE ARG 8 HE ARG 8 3.233 7.595 -6.754 554 HH11 ARG 8 HH11 ARG 8 5.307 9.546 -4.700 555 HH12 ARG 8 HH12 ARG 8 4.905 11.039 -5.500 556 HH21 ARG 8 HH21 ARG 8 2.692 9.552 -7.801 557 HH22 ARG 8 HH22 ARG 8 3.424 11.046 -7.271 558 H ARG 9 HN ARG 9 7.237 6.355 -7.191 559 HA ARG 9 HA ARG 9 8.750 5.349 -4.919 560 HB2 ARG 9 HB2 ARG 9 9.667 6.458 -7.110 561 HB3 ARG 9 HB1 ARG 9 9.315 7.970 -6.258 562 HG2 ARG 9 HG2 ARG 9 11.336 7.775 -5.378 563 HG3 ARG 9 HG1 ARG 9 10.662 6.471 -4.393 564 HD2 ARG 9 HD2 ARG 9 12.652 5.670 -5.442 565 HD3 ARG 9 HD1 ARG 9 11.266 4.872 -6.185 566 HE ARG 9 HE ARG 9 11.542 6.437 -8.065 567 HH11 ARG 9 HH11 ARG 9 14.211 5.911 -5.878 568 HH12 ARG 9 HH12 ARG 9 15.426 6.343 -7.042 569 HH21 ARG 9 HH21 ARG 9 13.129 7.035 -9.604 570 HH22 ARG 9 HH22 ARG 9 14.809 7.005 -9.152 571 H ILE 10 HN ILE 10 7.826 5.701 -3.042 572 HA ILE 10 HA ILE 10 5.949 6.945 -1.936 573 HB ILE 10 HB ILE 10 7.552 7.857 -0.025 574 HG12 ILE 10 HG12 ILE 10 9.721 6.848 0.037 575 HG13 ILE 10 HG11 ILE 10 9.352 5.807 -1.332 576 HG21 ILE 10 HG21 ILE 10 7.662 5.479 0.772 577 HG22 ILE 10 HG22 ILE 10 6.977 5.016 -0.792 578 HG23 ILE 10 HG23 ILE 10 6.068 6.064 0.297 579 HD11 ILE 10 HD11 ILE 10 10.028 8.714 -1.321 580 HD12 ILE 10 HD12 ILE 10 9.236 7.952 -2.701 581 HD13 ILE 10 HD13 ILE 10 10.822 7.388 -2.169 582 H ASP 11 HN ASP 11 8.266 9.195 -0.899 583 HA ASP 11 HA ASP 11 8.275 11.342 -2.475 584 HB2 ASP 11 HB2 ASP 11 6.412 12.737 -2.074 585 HB3 ASP 11 HB1 ASP 11 5.685 11.155 -2.314 586 H ASP 12 HN ASP 12 7.900 13.463 -0.622 587 HA ASP 12 HA ASP 12 10.171 12.866 1.038 588 HB2 ASP 12 HB2 ASP 12 8.534 15.357 0.645 589 HB3 ASP 12 HB1 ASP 12 9.846 15.266 1.817 590 H LEU 13 HN LEU 13 6.953 12.334 1.381 591 HA LEU 13 HA LEU 13 7.072 12.475 4.310 592 HB2 LEU 13 HB2 LEU 13 5.155 13.507 2.952 593 HB3 LEU 13 HB1 LEU 13 4.651 11.858 2.639 594 HG LEU 13 HG LEU 13 3.433 12.998 4.496 595 HD11 LEU 13 HD11 LEU 13 3.443 10.587 4.369 596 HD12 LEU 13 HD12 LEU 13 3.550 11.099 6.055 597 HD13 LEU 13 HD13 LEU 13 4.990 10.523 5.214 598 HD21 LEU 13 HD21 LEU 13 5.323 14.258 5.387 599 HD22 LEU 13 HD22 LEU 13 6.078 12.754 5.911 600 HD23 LEU 13 HD23 LEU 13 4.556 13.274 6.636 601 H GLY 14 HN GLY 14 5.793 10.324 1.759 602 HA2 GLY 14 HA2 GLY 14 6.887 8.001 1.923 603 HA3 GLY 14 HA1 GLY 14 6.242 8.042 3.559 604 H ARG 15 HN ARG 15 4.346 9.622 1.163 605 HA ARG 15 HA ARG 15 2.168 7.837 1.623 606 HB2 ARG 15 HB2 ARG 15 2.469 9.931 -0.525 607 HB3 ARG 15 HB1 ARG 15 0.984 9.085 -0.129 608 HG2 ARG 15 HG2 ARG 15 0.492 10.690 1.288 609 HG3 ARG 15 HG1 ARG 15 1.922 10.264 2.246 610 HD2 ARG 15 HD2 ARG 15 3.264 11.813 1.163 611 HD3 ARG 15 HD1 ARG 15 2.177 11.911 -0.226 612 HE ARG 15 HE ARG 15 0.650 12.911 1.758 613 HH11 ARG 15 HH11 ARG 15 3.952 13.657 0.769 614 HH12 ARG 15 HH12 ARG 15 3.836 15.324 1.273 615 HH21 ARG 15 HH21 ARG 15 0.528 15.082 2.395 616 HH22 ARG 15 HH22 ARG 15 1.906 16.122 2.206 617 H VAL 16 HN VAL 16 1.402 6.227 0.401 618 HA VAL 16 HA VAL 16 2.769 5.714 -2.138 619 HB VAL 16 HB VAL 16 0.950 3.895 -0.543 620 HG11 VAL 16 HG11 VAL 16 2.521 3.401 -3.066 621 HG12 VAL 16 HG12 VAL 16 0.765 3.470 -2.920 622 HG13 VAL 16 HG13 VAL 16 1.665 2.166 -2.143 623 HG21 VAL 16 HG21 VAL 16 3.115 4.236 0.535 624 HG22 VAL 16 HG22 VAL 16 3.937 3.801 -0.965 625 HG23 VAL 16 HG23 VAL 16 2.977 2.597 -0.104 626 H VAL 17 HN VAL 17 1.804 7.041 -3.517 627 HA VAL 17 HA VAL 17 -0.860 7.952 -3.163 628 HB VAL 17 HB VAL 17 0.879 8.234 -5.620 629 HG11 VAL 17 HG11 VAL 17 -0.499 10.268 -5.993 630 HG12 VAL 17 HG12 VAL 17 -1.530 9.765 -4.651 631 HG13 VAL 17 HG13 VAL 17 -1.412 8.761 -6.099 632 HG21 VAL 17 HG21 VAL 17 0.650 10.032 -3.199 633 HG22 VAL 17 HG22 VAL 17 1.536 10.413 -4.677 634 HG23 VAL 17 HG23 VAL 17 2.057 9.070 -3.660 635 H ILE 18 HN ILE 18 -2.374 6.411 -3.303 636 HA ILE 18 HA ILE 18 -2.312 4.537 -5.533 637 HB ILE 18 HB ILE 18 -3.803 4.564 -2.911 638 HG12 ILE 18 HG12 ILE 18 -1.841 2.710 -4.266 639 HG13 ILE 18 HG11 ILE 18 -1.595 3.665 -2.807 640 HG21 ILE 18 HG21 ILE 18 -5.137 2.725 -3.559 641 HG22 ILE 18 HG22 ILE 18 -4.274 2.534 -5.084 642 HG23 ILE 18 HG23 ILE 18 -5.325 3.926 -4.837 643 HD11 ILE 18 HD11 ILE 18 -1.899 1.317 -2.285 644 HD12 ILE 18 HD12 ILE 18 -3.466 1.327 -3.092 645 HD13 ILE 18 HD13 ILE 18 -3.222 2.281 -1.629 646 HA PRO 19 HA PRO 19 -5.212 7.138 -7.772 647 HB2 PRO 19 HB2 PRO 19 -5.203 4.524 -9.200 648 HB3 PRO 19 HB1 PRO 19 -5.216 6.168 -9.859 649 HG2 PRO 19 HG2 PRO 19 -2.947 4.829 -9.823 650 HG3 PRO 19 HG1 PRO 19 -2.963 6.527 -9.290 651 HD2 PRO 19 HD2 PRO 19 -2.872 4.027 -7.639 652 HD3 PRO 19 HD1 PRO 19 -2.015 5.569 -7.403 653 H LYS 20 HN LYS 20 -7.390 7.091 -8.122 654 HA LYS 20 HA LYS 20 -8.981 5.591 -6.289 655 HB2 LYS 20 HB2 LYS 20 -10.851 6.629 -7.889 656 HB3 LYS 20 HB1 LYS 20 -10.033 7.579 -6.669 657 HG2 LYS 20 HG2 LYS 20 -9.112 7.473 -9.533 658 HG3 LYS 20 HG1 LYS 20 -10.314 8.628 -8.966 659 HD2 LYS 20 HD2 LYS 20 -7.680 8.415 -7.557 660 HD3 LYS 20 HD1 LYS 20 -7.778 9.286 -9.086 661 HE2 LYS 20 HE2 LYS 20 -8.031 10.844 -7.258 662 HE3 LYS 20 HE1 LYS 20 -9.557 10.710 -8.125 663 HZ1 LYS 20 HZ1 LYS 20 -10.356 9.212 -6.392 664 HZ2 LYS 20 HZ2 LYS 20 -9.909 10.705 -5.747 665 HZ3 LYS 20 HZ3 LYS 20 -8.890 9.370 -5.554 666 H GLU 21 HN GLU 21 -7.800 4.860 -9.437 667 HA GLU 21 HA GLU 21 -9.924 3.181 -10.234 668 HB2 GLU 21 HB2 GLU 21 -8.238 2.092 -11.717 669 HB3 GLU 21 HB1 GLU 21 -8.371 3.835 -11.891 670 HG2 GLU 21 HG2 GLU 21 -6.376 4.045 -10.413 671 HG3 GLU 21 HG1 GLU 21 -6.207 2.291 -10.500 672 H ILE 22 HN ILE 22 -7.610 2.793 -7.740 673 HA ILE 22 HA ILE 22 -7.941 -0.106 -7.725 674 HB ILE 22 HB ILE 22 -6.326 1.621 -5.837 675 HG12 ILE 22 HG12 ILE 22 -4.478 0.153 -7.059 676 HG13 ILE 22 HG11 ILE 22 -5.688 0.139 -8.339 677 HG21 ILE 22 HG21 ILE 22 -7.117 -0.410 -4.745 678 HG22 ILE 22 HG22 ILE 22 -5.383 -0.521 -5.048 679 HG23 ILE 22 HG23 ILE 22 -6.518 -1.386 -6.086 680 HD11 ILE 22 HD11 ILE 22 -4.328 2.520 -7.133 681 HD12 ILE 22 HD12 ILE 22 -5.723 2.628 -8.206 682 HD13 ILE 22 HD13 ILE 22 -4.212 1.923 -8.790 683 H ARG 23 HN ARG 23 -8.572 2.751 -5.696 684 HA ARG 23 HA ARG 23 -10.285 1.548 -3.815 685 HB2 ARG 23 HB2 ARG 23 -11.023 3.759 -3.273 686 HB3 ARG 23 HB1 ARG 23 -9.319 3.840 -3.677 687 HG2 ARG 23 HG2 ARG 23 -10.149 5.685 -4.674 688 HG3 ARG 23 HG1 ARG 23 -10.045 4.512 -5.971 689 HD2 ARG 23 HD2 ARG 23 -12.204 4.653 -6.386 690 HD3 ARG 23 HD1 ARG 23 -12.622 4.459 -4.687 691 HE ARG 23 HE ARG 23 -11.806 7.029 -4.803 692 HH11 ARG 23 HH11 ARG 23 -14.062 5.174 -6.755 693 HH12 ARG 23 HH12 ARG 23 -15.034 6.556 -7.170 694 HH21 ARG 23 HH21 ARG 23 -13.091 8.834 -5.323 695 HH22 ARG 23 HH22 ARG 23 -14.492 8.632 -6.337 696 H ARG 24 HN ARG 24 -10.668 2.494 -7.054 697 HA ARG 24 HA ARG 24 -13.432 2.281 -7.317 698 HB2 ARG 24 HB2 ARG 24 -12.247 3.278 -9.098 699 HB3 ARG 24 HB1 ARG 24 -11.175 1.898 -9.262 700 HG2 ARG 24 HG2 ARG 24 -12.944 0.557 -10.166 701 HG3 ARG 24 HG1 ARG 24 -14.115 1.852 -9.876 702 HD2 ARG 24 HD2 ARG 24 -11.713 2.065 -11.690 703 HD3 ARG 24 HD1 ARG 24 -13.368 1.760 -12.230 704 HE ARG 24 HE ARG 24 -13.751 4.009 -10.926 705 HH11 ARG 24 HH11 ARG 24 -11.128 3.160 -13.090 706 HH12 ARG 24 HH12 ARG 24 -10.812 4.811 -13.551 707 HH21 ARG 24 HH21 ARG 24 -13.343 6.155 -11.518 708 HH22 ARG 24 HH22 ARG 24 -12.079 6.512 -12.657 709 H THR 25 HN THR 25 -10.887 -0.273 -8.066 710 HA THR 25 HA THR 25 -12.747 -2.313 -8.338 711 HB THR 25 HB THR 25 -9.920 -2.488 -7.264 712 HG1 THR 25 HG1 THR 25 -10.982 -2.182 -9.869 713 HG21 THR 25 HG21 THR 25 -11.639 -4.528 -8.685 714 HG22 THR 25 HG22 THR 25 -11.162 -4.568 -6.987 715 HG23 THR 25 HG23 THR 25 -9.944 -4.742 -8.253 716 H LEU 26 HN LEU 26 -11.327 -0.830 -5.500 717 HA LEU 26 HA LEU 26 -12.133 -2.691 -3.545 718 HB2 LEU 26 HB2 LEU 26 -11.303 0.138 -3.619 719 HB3 LEU 26 HB1 LEU 26 -12.352 -0.277 -2.272 720 HG LEU 26 HG LEU 26 -10.046 -0.413 -1.572 721 HD11 LEU 26 HD11 LEU 26 -11.261 -3.148 -1.896 722 HD12 LEU 26 HD12 LEU 26 -11.575 -2.009 -0.588 723 HD13 LEU 26 HD13 LEU 26 -9.972 -2.722 -0.767 724 HD21 LEU 26 HD21 LEU 26 -8.483 -2.013 -2.558 725 HD22 LEU 26 HD22 LEU 26 -8.999 -0.811 -3.742 726 HD23 LEU 26 HD23 LEU 26 -9.681 -2.436 -3.781 727 H ARG 27 HN ARG 27 -13.880 -0.552 -5.520 728 HA ARG 27 HA ARG 27 -16.044 -0.028 -5.777 729 HB2 ARG 27 HB2 ARG 27 -16.420 -2.156 -3.697 730 HB3 ARG 27 HB1 ARG 27 -17.738 -1.409 -4.597 731 HG2 ARG 27 HG2 ARG 27 -15.439 -2.875 -5.850 732 HG3 ARG 27 HG1 ARG 27 -17.003 -3.610 -5.497 733 HD2 ARG 27 HD2 ARG 27 -18.099 -2.298 -7.088 734 HD3 ARG 27 HD1 ARG 27 -16.786 -1.123 -7.151 735 HE ARG 27 HE ARG 27 -15.773 -3.586 -8.009 736 HH11 ARG 27 HH11 ARG 27 -18.169 -1.243 -9.048 737 HH12 ARG 27 HH12 ARG 27 -17.902 -1.536 -10.744 738 HH21 ARG 27 HH21 ARG 27 -15.386 -3.938 -10.234 739 HH22 ARG 27 HH22 ARG 27 -16.291 -3.040 -11.415 740 H ILE 28 HN ILE 28 -14.245 1.189 -3.830 741 HA ILE 28 HA ILE 28 -16.216 2.443 -2.036 742 HB ILE 28 HB ILE 28 -13.313 2.017 -1.284 743 HG12 ILE 28 HG12 ILE 28 -15.694 0.287 -0.550 744 HG13 ILE 28 HG11 ILE 28 -14.475 -0.156 -1.736 745 HG21 ILE 28 HG21 ILE 28 -15.813 2.565 0.347 746 HG22 ILE 28 HG22 ILE 28 -14.550 3.737 -0.028 747 HG23 ILE 28 HG23 ILE 28 -14.188 2.349 0.999 748 HD11 ILE 28 HD11 ILE 28 -13.926 0.366 1.170 749 HD12 ILE 28 HD12 ILE 28 -12.788 -0.232 -0.039 750 HD13 ILE 28 HD13 ILE 28 -14.160 -1.229 0.448 751 H ARG 29 HN ARG 29 -14.296 4.381 -1.062 752 HA ARG 29 HA ARG 29 -13.562 5.893 -3.411 753 HB2 ARG 29 HB2 ARG 29 -15.019 7.821 -2.760 754 HB3 ARG 29 HB1 ARG 29 -15.887 6.415 -3.354 755 HG2 ARG 29 HG2 ARG 29 -17.117 7.202 -1.510 756 HG3 ARG 29 HG1 ARG 29 -16.247 5.782 -0.926 757 HD2 ARG 29 HD2 ARG 29 -14.483 7.302 -0.058 758 HD3 ARG 29 HD1 ARG 29 -15.509 8.669 -0.504 759 HE ARG 29 HE ARG 29 -16.390 6.620 1.438 760 HH11 ARG 29 HH11 ARG 29 -15.955 9.962 0.476 761 HH12 ARG 29 HH12 ARG 29 -16.675 10.613 1.915 762 HH21 ARG 29 HH21 ARG 29 -17.296 7.467 3.363 763 HH22 ARG 29 HH22 ARG 29 -17.434 9.191 3.561 764 H GLU 30 HN GLU 30 -13.511 8.415 -2.200 765 HA GLU 30 HA GLU 30 -10.968 8.278 -0.934 766 HB2 GLU 30 HB2 GLU 30 -12.890 10.455 -1.634 767 HB3 GLU 30 HB1 GLU 30 -11.514 10.806 -0.593 768 HG2 GLU 30 HG2 GLU 30 -10.868 11.328 -2.788 769 HG3 GLU 30 HG1 GLU 30 -10.045 9.837 -2.346 770 H GLY 31 HN GLY 31 -12.936 6.887 0.548 771 HA2 GLY 31 HA2 GLY 31 -12.268 8.016 3.138 772 HA3 GLY 31 HA1 GLY 31 -13.996 7.790 2.821 773 H ASP 32 HN ASP 32 -11.898 5.656 1.235 774 HA ASP 32 HA ASP 32 -12.746 3.382 2.787 775 HB2 ASP 32 HB2 ASP 32 -12.432 3.133 0.382 776 HB3 ASP 32 HB1 ASP 32 -10.751 3.638 0.520 777 HA PRO 33 HA PRO 33 -9.152 3.550 5.396 778 HB2 PRO 33 HB2 PRO 33 -10.019 1.285 6.813 779 HB3 PRO 33 HB1 PRO 33 -10.253 2.973 7.276 780 HG2 PRO 33 HG2 PRO 33 -12.257 1.150 6.494 781 HG3 PRO 33 HG1 PRO 33 -12.439 2.895 6.725 782 HD2 PRO 33 HD2 PRO 33 -12.150 1.345 4.207 783 HD3 PRO 33 HD1 PRO 33 -12.930 2.915 4.492 784 H LEU 34 HN LEU 34 -7.273 2.364 5.475 785 HA LEU 34 HA LEU 34 -7.393 -0.345 4.401 786 HB2 LEU 34 HB2 LEU 34 -5.131 1.508 3.701 787 HB3 LEU 34 HB1 LEU 34 -5.492 -0.072 3.026 788 HG LEU 34 HG LEU 34 -7.731 1.593 2.542 789 HD11 LEU 34 HD11 LEU 34 -6.314 3.511 2.874 790 HD12 LEU 34 HD12 LEU 34 -6.684 3.336 1.157 791 HD13 LEU 34 HD13 LEU 34 -5.105 2.847 1.775 792 HD21 LEU 34 HD21 LEU 34 -7.066 -0.315 1.187 793 HD22 LEU 34 HD22 LEU 34 -5.583 0.515 0.715 794 HD23 LEU 34 HD23 LEU 34 -7.147 1.141 0.195 795 H GLU 35 HN GLU 35 -5.745 -1.630 5.066 796 HA GLU 35 HA GLU 35 -4.584 -0.810 7.654 797 HB2 GLU 35 HB2 GLU 35 -6.114 -2.698 7.946 798 HB3 GLU 35 HB1 GLU 35 -5.245 -3.603 6.720 799 HG2 GLU 35 HG2 GLU 35 -3.245 -3.579 8.144 800 HG3 GLU 35 HG1 GLU 35 -4.173 -2.752 9.396 801 H ILE 36 HN ILE 36 -2.543 -0.316 7.464 802 HA ILE 36 HA ILE 36 -0.990 -1.347 5.240 803 HB ILE 36 HB ILE 36 -0.479 0.774 7.345 804 HG12 ILE 36 HG12 ILE 36 -0.224 2.189 5.201 805 HG13 ILE 36 HG11 ILE 36 -1.021 0.849 4.389 806 HG21 ILE 36 HG21 ILE 36 1.621 -0.369 6.900 807 HG22 ILE 36 HG22 ILE 36 1.639 1.270 6.252 808 HG23 ILE 36 HG23 ILE 36 1.410 -0.103 5.169 809 HD11 ILE 36 HD11 ILE 36 -2.902 1.146 6.053 810 HD12 ILE 36 HD12 ILE 36 -2.695 2.417 4.850 811 HD13 ILE 36 HD13 ILE 36 -2.131 2.672 6.503 812 H PHE 37 HN PHE 37 -0.129 -3.281 5.591 813 HA PHE 37 HA PHE 37 1.682 -3.533 7.830 814 HB2 PHE 37 HB2 PHE 37 0.778 -5.343 8.905 815 HB3 PHE 37 HB1 PHE 37 -0.705 -4.551 8.385 816 HD1 PHE 37 HD2 PHE 37 -2.041 -5.500 6.565 817 HD2 PHE 37 HD1 PHE 37 1.474 -7.439 7.977 818 HE1 PHE 37 HE2 PHE 37 -2.721 -7.572 5.429 819 HE2 PHE 37 HE1 PHE 37 0.797 -9.510 6.844 820 HZ PHE 37 HZ PHE 37 -1.304 -9.579 5.567 821 H VAL 38 HN VAL 38 3.493 -4.504 7.228 822 HA VAL 38 HA VAL 38 3.654 -5.412 4.494 823 HB VAL 38 HB VAL 38 5.516 -4.119 5.066 824 HG11 VAL 38 HG11 VAL 38 5.753 -5.696 7.626 825 HG12 VAL 38 HG12 VAL 38 5.216 -4.023 7.460 826 HG13 VAL 38 HG13 VAL 38 6.886 -4.455 7.093 827 HG21 VAL 38 HG21 VAL 38 7.470 -5.599 5.039 828 HG22 VAL 38 HG22 VAL 38 6.228 -6.148 3.913 829 HG23 VAL 38 HG23 VAL 38 6.440 -6.966 5.461 830 H ASP 39 HN ASP 39 3.972 -7.357 3.769 831 HA ASP 39 HA ASP 39 3.066 -9.534 5.428 832 HB2 ASP 39 HB2 ASP 39 2.268 -9.178 3.096 833 HB3 ASP 39 HB1 ASP 39 3.903 -9.504 2.521 834 H ARG 40 HN ARG 40 5.972 -8.791 3.535 835 HA ARG 40 HA ARG 40 7.341 -10.958 4.923 836 HB2 ARG 40 HB2 ARG 40 8.407 -11.401 2.561 837 HB3 ARG 40 HB1 ARG 40 6.878 -12.141 3.030 838 HG2 ARG 40 HG2 ARG 40 5.993 -9.832 1.967 839 HG3 ARG 40 HG1 ARG 40 7.449 -10.092 1.004 840 HD2 ARG 40 HD2 ARG 40 5.459 -12.272 1.466 841 HD3 ARG 40 HD1 ARG 40 5.243 -11.095 0.172 842 HE ARG 40 HE ARG 40 7.823 -12.383 0.171 843 HH11 ARG 40 HH11 ARG 40 4.507 -12.512 -0.930 844 HH12 ARG 40 HH12 ARG 40 4.846 -13.556 -2.274 845 HH21 ARG 40 HH21 ARG 40 8.302 -13.760 -1.608 846 HH22 ARG 40 HH22 ARG 40 7.010 -14.263 -2.660 847 H ASP 41 HN ASP 41 8.879 -9.641 2.178 848 HA ASP 41 HA ASP 41 11.012 -8.662 3.823 849 HB2 ASP 41 HB2 ASP 41 11.605 -9.802 1.787 850 HB3 ASP 41 HB1 ASP 41 10.624 -8.693 0.829 851 H GLY 42 HN GLY 42 9.387 -7.081 1.110 852 HA2 GLY 42 HA2 GLY 42 9.263 -4.620 2.707 853 HA3 GLY 42 HA1 GLY 42 10.073 -4.593 1.147 854 H GLU 43 HN GLU 43 7.317 -6.625 1.588 855 HA GLU 43 HA GLU 43 5.814 -4.923 -0.245 856 HB2 GLU 43 HB2 GLU 43 4.738 -7.513 0.768 857 HB3 GLU 43 HB1 GLU 43 4.545 -6.763 -0.806 858 HG2 GLU 43 HG2 GLU 43 7.089 -7.282 -1.043 859 HG3 GLU 43 HG1 GLU 43 6.751 -8.459 0.235 860 H VAL 44 HN VAL 44 4.575 -3.419 0.691 861 HA VAL 44 HA VAL 44 3.400 -3.950 3.307 862 HB VAL 44 HB VAL 44 2.688 -1.493 1.798 863 HG11 VAL 44 HG11 VAL 44 2.947 -0.523 4.082 864 HG12 VAL 44 HG12 VAL 44 3.312 -2.147 4.670 865 HG13 VAL 44 HG13 VAL 44 1.738 -1.801 3.955 866 HG21 VAL 44 HG21 VAL 44 5.411 -1.917 3.044 867 HG22 VAL 44 HG22 VAL 44 4.765 -0.363 2.512 868 HG23 VAL 44 HG23 VAL 44 5.071 -1.642 1.337 869 H ILE 45 HN ILE 45 1.348 -4.450 3.616 870 HA ILE 45 HA ILE 45 -0.361 -4.764 1.228 871 HB ILE 45 HB ILE 45 -0.219 -6.322 3.807 872 HG12 ILE 45 HG12 ILE 45 -0.007 -8.254 2.265 873 HG13 ILE 45 HG11 ILE 45 -0.077 -7.149 0.899 874 HG21 ILE 45 HG21 ILE 45 -2.208 -7.558 3.113 875 HG22 ILE 45 HG22 ILE 45 -2.397 -6.503 1.713 876 HG23 ILE 45 HG23 ILE 45 -2.580 -5.849 3.342 877 HD11 ILE 45 HD11 ILE 45 2.077 -7.163 2.990 878 HD12 ILE 45 HD12 ILE 45 2.019 -6.182 1.516 879 HD13 ILE 45 HD13 ILE 45 2.180 -7.936 1.407 880 H LEU 46 HN LEU 46 -1.904 -3.291 1.177 881 HA LEU 46 HA LEU 46 -2.966 -2.166 3.692 882 HB2 LEU 46 HB2 LEU 46 -3.563 -0.837 1.117 883 HB3 LEU 46 HB1 LEU 46 -3.107 -0.140 2.661 884 HG LEU 46 HG LEU 46 -1.111 -1.565 0.937 885 HD11 LEU 46 HD11 LEU 46 -0.491 0.596 0.006 886 HD12 LEU 46 HD12 LEU 46 -1.822 1.362 0.873 887 HD13 LEU 46 HD13 LEU 46 -2.158 0.191 -0.402 888 HD21 LEU 46 HD21 LEU 46 0.480 -0.190 2.173 889 HD22 LEU 46 HD22 LEU 46 -0.505 -1.160 3.270 890 HD23 LEU 46 HD23 LEU 46 -0.844 0.558 3.063 891 H LYS 47 HN LYS 47 -4.962 -3.025 4.191 892 HA LYS 47 HA LYS 47 -6.720 -3.469 1.855 893 HB2 LYS 47 HB2 LYS 47 -7.326 -5.570 2.405 894 HB3 LYS 47 HB1 LYS 47 -5.722 -5.568 3.101 895 HG2 LYS 47 HG2 LYS 47 -8.247 -5.082 4.646 896 HG3 LYS 47 HG1 LYS 47 -7.437 -6.638 4.503 897 HD2 LYS 47 HD2 LYS 47 -6.507 -4.158 5.889 898 HD3 LYS 47 HD1 LYS 47 -6.730 -5.781 6.546 899 HE2 LYS 47 HE2 LYS 47 -4.631 -4.996 4.525 900 HE3 LYS 47 HE1 LYS 47 -4.353 -5.142 6.258 901 HZ1 LYS 47 HZ1 LYS 47 -4.982 -7.480 6.103 902 HZ2 LYS 47 HZ2 LYS 47 -3.656 -7.123 5.118 903 HZ3 LYS 47 HZ3 LYS 47 -5.187 -7.330 4.426 904 H LYS 48 HN LYS 48 -8.998 -3.516 2.293 905 HA LYS 48 HA LYS 48 -9.726 -0.992 2.932 906 HB2 LYS 48 HB2 LYS 48 -12.084 -1.990 2.992 907 HB3 LYS 48 HB1 LYS 48 -11.114 -2.082 1.528 908 HG2 LYS 48 HG2 LYS 48 -10.357 -4.364 2.690 909 HG3 LYS 48 HG1 LYS 48 -11.979 -4.213 3.374 910 HD2 LYS 48 HD2 LYS 48 -11.281 -4.095 0.451 911 HD3 LYS 48 HD1 LYS 48 -11.982 -5.496 1.270 912 HE2 LYS 48 HE2 LYS 48 -13.927 -4.041 1.875 913 HE3 LYS 48 HE1 LYS 48 -13.233 -2.783 0.858 914 HZ1 LYS 48 HZ1 LYS 48 -13.364 -4.329 -1.029 915 HZ2 LYS 48 HZ2 LYS 48 -14.890 -3.992 -0.369 916 HZ3 LYS 48 HZ3 LYS 48 -14.130 -5.470 -0.041 917 H TYR 49 HN TYR 49 -9.251 -3.330 5.371 918 HA TYR 49 HA TYR 49 -9.203 -3.010 7.612 919 HB2 TYR 49 HB2 TYR 49 -8.678 -0.693 7.375 920 HB3 TYR 49 HB1 TYR 49 -10.335 -0.330 6.903 921 HD1 TYR 49 HD1 TYR 49 -8.904 -2.236 9.802 922 HD2 TYR 49 HD2 TYR 49 -11.345 0.992 8.485 923 HE1 TYR 49 HE1 TYR 49 -9.517 -1.754 12.134 924 HE2 TYR 49 HE2 TYR 49 -11.958 1.483 10.810 925 HH TYR 49 HH TYR 49 -10.341 0.079 13.488 926 H SER 50 HN SER 50 -12.208 -1.707 6.248 927 HA SER 50 HA SER 50 -13.859 -2.025 8.409 928 HB2 SER 50 HB2 SER 50 -14.452 -0.812 6.328 929 HB3 SER 50 HB1 SER 50 -14.633 -2.357 5.499 930 HG SER 50 HG SER 50 -16.608 -2.295 6.175 931 HA PRO 51 HA PRO 51 -14.575 -6.610 7.483 932 HB2 PRO 51 HB2 PRO 51 -13.895 -7.761 5.204 933 HB3 PRO 51 HB1 PRO 51 -15.311 -6.704 5.271 934 HG2 PRO 51 HG2 PRO 51 -12.583 -6.161 4.188 935 HG3 PRO 51 HG1 PRO 51 -14.159 -5.628 3.576 936 HD2 PRO 51 HD2 PRO 51 -12.398 -4.134 5.169 937 HD3 PRO 51 HD1 PRO 51 -14.098 -3.749 4.842 938 H ILE 52 HN ILE 52 -11.811 -5.087 7.606 939 HA ILE 52 HA ILE 52 -9.582 -5.490 7.867 940 HB ILE 52 HB ILE 52 -10.065 -8.213 8.932 941 HG12 ILE 52 HG12 ILE 52 -11.233 -5.750 10.256 942 HG13 ILE 52 HG11 ILE 52 -12.173 -7.037 9.503 943 HG21 ILE 52 HG21 ILE 52 -8.664 -7.398 10.738 944 HG22 ILE 52 HG22 ILE 52 -8.789 -5.749 10.127 945 HG23 ILE 52 HG23 ILE 52 -7.928 -6.970 9.193 946 HD11 ILE 52 HD11 ILE 52 -11.313 -8.621 11.149 947 HD12 ILE 52 HD12 ILE 52 -12.141 -7.266 11.916 948 HD13 ILE 52 HD13 ILE 52 -10.378 -7.330 11.902 949 H SER 53 HN SER 53 -8.480 -8.331 7.882 950 HA SER 53 HA SER 53 -8.020 -8.490 5.071 951 HB2 SER 53 HB2 SER 53 -7.011 -9.924 7.470 952 HB3 SER 53 HB1 SER 53 -6.947 -10.804 5.941 953 HG SER 53 HG SER 53 -5.733 -9.140 5.064 954 H GLU 54 HN GLU 54 -10.331 -8.753 4.552 955 HA GLU 54 HA GLU 54 -12.192 -9.878 3.942 956 HB2 GLU 54 HB2 GLU 54 -11.875 -11.938 2.728 957 HB3 GLU 54 HB1 GLU 54 -10.571 -10.824 2.360 958 HG2 GLU 54 HG2 GLU 54 -9.042 -12.058 3.716 959 HG3 GLU 54 HG1 GLU 54 -10.339 -13.074 4.339 960 H LEU 55 HN LEU 55 -11.390 -10.127 6.792 961 HA LEU 55 HA LEU 55 -11.978 -11.160 8.715 962 HB2 LEU 55 HB2 LEU 55 -14.227 -10.624 7.264 963 HB3 LEU 55 HB1 LEU 55 -14.434 -12.330 7.614 964 HG LEU 55 HG LEU 55 -15.564 -10.990 9.288 965 HD11 LEU 55 HD11 LEU 55 -13.069 -12.242 10.419 966 HD12 LEU 55 HD12 LEU 55 -14.563 -13.091 10.023 967 HD13 LEU 55 HD13 LEU 55 -14.549 -11.884 11.309 968 HD21 LEU 55 HD21 LEU 55 -14.293 -9.510 10.784 969 HD22 LEU 55 HD22 LEU 55 -14.271 -8.952 9.111 970 HD23 LEU 55 HD23 LEU 55 -12.857 -9.760 9.789 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 9.295 -11.548 12.114 2 H2 MET 1 HT2 MET 1 8.638 -12.828 13.009 3 H3 MET 1 HT3 MET 1 8.534 -11.239 13.597 4 HA MET 1 HA MET 1 7.261 -12.215 11.110 5 HB2 MET 1 HB2 MET 1 6.188 -11.836 13.896 6 HB3 MET 1 HB1 MET 1 5.133 -11.760 12.491 7 HG2 MET 1 HG2 MET 1 6.835 -14.102 13.314 8 HG3 MET 1 HG1 MET 1 5.086 -13.964 13.488 9 HE1 MET 1 HE1 MET 1 4.690 -16.262 12.215 10 HE2 MET 1 HE2 MET 1 6.440 -16.451 12.096 11 HE3 MET 1 HE3 MET 1 5.433 -16.652 10.664 12 H LYS 2 HN LYS 2 5.773 -10.708 10.199 13 HA LYS 2 HA LYS 2 6.480 -7.925 10.809 14 HB2 LYS 2 HB2 LYS 2 5.591 -9.207 8.230 15 HB3 LYS 2 HB1 LYS 2 5.704 -7.464 8.445 16 HG2 LYS 2 HG2 LYS 2 7.920 -9.494 8.473 17 HG3 LYS 2 HG1 LYS 2 7.701 -8.118 7.389 18 HD2 LYS 2 HD2 LYS 2 8.283 -7.958 10.349 19 HD3 LYS 2 HD1 LYS 2 9.455 -7.691 9.059 20 HE2 LYS 2 HE2 LYS 2 8.315 -5.732 8.327 21 HE3 LYS 2 HE1 LYS 2 6.929 -6.076 9.363 22 HZ1 LYS 2 HZ1 LYS 2 9.663 -5.497 10.388 23 HZ2 LYS 2 HZ2 LYS 2 8.234 -5.641 11.294 24 HZ3 LYS 2 HZ3 LYS 2 8.438 -4.331 10.238 25 H ALA 3 HN ALA 3 4.116 -7.525 8.805 26 HA ALA 3 HA ALA 3 1.970 -6.849 8.924 27 HB1 ALA 3 HB1 ALA 3 1.702 -8.821 11.192 28 HB2 ALA 3 HB2 ALA 3 1.493 -9.191 9.480 29 HB3 ALA 3 HB3 ALA 3 0.380 -8.084 10.283 30 H THR 4 HN THR 4 2.169 -4.771 9.472 31 HA THR 4 HA THR 4 2.630 -3.993 12.211 32 HB THR 4 HB THR 4 2.558 -1.666 11.212 33 HG1 THR 4 HG1 THR 4 1.600 -1.818 9.270 34 HG21 THR 4 HG21 THR 4 4.575 -3.594 10.058 35 HG22 THR 4 HG22 THR 4 4.651 -2.893 11.677 36 HG23 THR 4 HG23 THR 4 4.784 -1.853 10.258 37 H GLY 5 HN GLY 5 0.122 -3.504 9.769 38 HA2 GLY 5 HA2 GLY 5 -2.173 -3.505 10.043 39 HA3 GLY 5 HA1 GLY 5 -1.900 -3.905 11.736 40 H ILE 6 HN ILE 6 -0.917 -1.093 9.809 41 HA ILE 6 HA ILE 6 -2.402 0.573 11.722 42 HB ILE 6 HB ILE 6 -0.201 1.358 11.833 43 HG12 ILE 6 HG12 ILE 6 -0.200 3.571 10.722 44 HG13 ILE 6 HG11 ILE 6 -1.556 3.056 9.729 45 HG21 ILE 6 HG21 ILE 6 0.761 0.116 9.989 46 HG22 ILE 6 HG22 ILE 6 1.240 1.813 9.902 47 HG23 ILE 6 HG23 ILE 6 -0.017 1.196 8.830 48 HD11 ILE 6 HD11 ILE 6 -2.900 2.797 11.791 49 HD12 ILE 6 HD12 ILE 6 -2.359 4.449 11.493 50 HD13 ILE 6 HD13 ILE 6 -1.546 3.460 12.710 51 H VAL 7 HN VAL 7 -4.337 0.963 10.976 52 HA VAL 7 HA VAL 7 -4.907 0.992 8.154 53 HB VAL 7 HB VAL 7 -6.652 1.535 10.541 54 HG11 VAL 7 HG11 VAL 7 -7.443 2.937 8.715 55 HG12 VAL 7 HG12 VAL 7 -8.542 1.571 8.933 56 HG13 VAL 7 HG13 VAL 7 -7.381 1.570 7.599 57 HG21 VAL 7 HG21 VAL 7 -7.713 -0.571 9.832 58 HG22 VAL 7 HG22 VAL 7 -6.001 -0.783 10.205 59 HG23 VAL 7 HG23 VAL 7 -6.536 -0.707 8.526 60 H ARG 8 HN ARG 8 -5.264 2.673 6.834 61 HA ARG 8 HA ARG 8 -5.006 5.380 7.881 62 HB2 ARG 8 HB2 ARG 8 -2.883 5.151 6.939 63 HB3 ARG 8 HB1 ARG 8 -3.406 3.897 5.836 64 HG2 ARG 8 HG2 ARG 8 -2.741 5.913 4.642 65 HG3 ARG 8 HG1 ARG 8 -4.452 5.545 4.385 66 HD2 ARG 8 HD2 ARG 8 -4.013 7.943 4.763 67 HD3 ARG 8 HD1 ARG 8 -5.098 7.232 5.965 68 HE ARG 8 HE ARG 8 -2.767 7.024 7.228 69 HH11 ARG 8 HH11 ARG 8 -4.141 9.730 5.473 70 HH12 ARG 8 HH12 ARG 8 -3.324 10.923 6.430 71 HH21 ARG 8 HH21 ARG 8 -1.721 8.581 8.495 72 HH22 ARG 8 HH22 ARG 8 -1.949 10.275 8.160 73 H ARG 9 HN ARG 9 -6.978 6.298 7.335 74 HA ARG 9 HA ARG 9 -8.434 5.223 5.062 75 HB2 ARG 9 HB2 ARG 9 -9.382 6.251 7.305 76 HB3 ARG 9 HB1 ARG 9 -9.235 7.763 6.409 77 HG2 ARG 9 HG2 ARG 9 -11.030 7.326 5.181 78 HG3 ARG 9 HG1 ARG 9 -10.526 5.659 4.870 79 HD2 ARG 9 HD2 ARG 9 -11.226 5.167 7.263 80 HD3 ARG 9 HD1 ARG 9 -11.993 6.754 7.266 81 HE ARG 9 HE ARG 9 -12.749 4.792 5.215 82 HH11 ARG 9 HH11 ARG 9 -13.611 6.781 7.960 83 HH12 ARG 9 HH12 ARG 9 -15.297 6.366 7.899 84 HH21 ARG 9 HH21 ARG 9 -14.946 4.216 5.133 85 HH22 ARG 9 HH22 ARG 9 -16.055 4.870 6.301 86 H ILE 10 HN ILE 10 -7.515 5.635 3.229 87 HA ILE 10 HA ILE 10 -5.786 6.996 2.069 88 HB ILE 10 HB ILE 10 -7.515 7.835 0.222 89 HG12 ILE 10 HG12 ILE 10 -9.597 6.641 0.235 90 HG13 ILE 10 HG11 ILE 10 -9.092 5.653 1.604 91 HG21 ILE 10 HG21 ILE 10 -7.430 5.524 -0.656 92 HG22 ILE 10 HG22 ILE 10 -6.800 5.000 0.911 93 HG23 ILE 10 HG23 ILE 10 -5.873 6.125 -0.079 94 HD11 ILE 10 HD11 ILE 10 -10.602 7.097 2.551 95 HD12 ILE 10 HD12 ILE 10 -10.072 8.464 1.569 96 HD13 ILE 10 HD13 ILE 10 -9.061 7.888 2.895 97 H ASP 11 HN ASP 11 -8.271 9.149 1.149 98 HA ASP 11 HA ASP 11 -8.321 11.230 2.800 99 HB2 ASP 11 HB2 ASP 11 -6.601 12.843 2.079 100 HB3 ASP 11 HB1 ASP 11 -5.888 11.441 2.854 101 H ASP 12 HN ASP 12 -7.618 13.334 0.791 102 HA ASP 12 HA ASP 12 -10.146 13.202 -0.576 103 HB2 ASP 12 HB2 ASP 12 -9.196 15.289 0.444 104 HB3 ASP 12 HB1 ASP 12 -7.973 15.293 -0.822 105 H LEU 13 HN LEU 13 -7.073 12.056 -1.306 106 HA LEU 13 HA LEU 13 -7.635 12.215 -4.198 107 HB2 LEU 13 HB2 LEU 13 -5.605 13.460 -3.364 108 HB3 LEU 13 HB1 LEU 13 -4.918 11.908 -2.935 109 HG LEU 13 HG LEU 13 -4.155 12.948 -5.127 110 HD11 LEU 13 HD11 LEU 13 -5.323 10.174 -5.218 111 HD12 LEU 13 HD12 LEU 13 -3.729 10.613 -4.606 112 HD13 LEU 13 HD13 LEU 13 -4.103 10.818 -6.318 113 HD21 LEU 13 HD21 LEU 13 -6.877 12.030 -6.029 114 HD22 LEU 13 HD22 LEU 13 -5.582 12.633 -7.065 115 HD23 LEU 13 HD23 LEU 13 -6.346 13.705 -5.891 116 H GLY 14 HN GLY 14 -5.888 10.220 -1.791 117 HA2 GLY 14 HA2 GLY 14 -6.906 7.862 -1.788 118 HA3 GLY 14 HA1 GLY 14 -6.452 7.884 -3.486 119 H ARG 15 HN ARG 15 -4.248 9.532 -1.391 120 HA ARG 15 HA ARG 15 -2.253 7.526 -1.916 121 HB2 ARG 15 HB2 ARG 15 -1.898 9.728 0.091 122 HB3 ARG 15 HB1 ARG 15 -0.664 8.858 -0.803 123 HG2 ARG 15 HG2 ARG 15 -0.634 10.777 -1.970 124 HG3 ARG 15 HG1 ARG 15 -1.953 9.983 -2.846 125 HD2 ARG 15 HD2 ARG 15 -3.589 11.122 -1.631 126 HD3 ARG 15 HD1 ARG 15 -2.423 11.646 -0.410 127 HE ARG 15 HE ARG 15 -1.678 12.718 -2.909 128 HH11 ARG 15 HH11 ARG 15 -4.132 13.055 -0.429 129 HH12 ARG 15 HH12 ARG 15 -4.549 14.686 -0.894 130 HH21 ARG 15 HH21 ARG 15 -2.231 14.866 -3.516 131 HH22 ARG 15 HH22 ARG 15 -3.459 15.713 -2.617 132 H VAL 16 HN VAL 16 -1.228 6.214 -0.434 133 HA VAL 16 HA VAL 16 -2.608 5.922 2.140 134 HB VAL 16 HB VAL 16 -0.764 3.964 0.748 135 HG11 VAL 16 HG11 VAL 16 -1.551 2.385 2.450 136 HG12 VAL 16 HG12 VAL 16 -2.465 3.686 3.217 137 HG13 VAL 16 HG13 VAL 16 -0.703 3.757 3.164 138 HG21 VAL 16 HG21 VAL 16 -3.767 3.960 1.024 139 HG22 VAL 16 HG22 VAL 16 -2.799 2.643 0.360 140 HG23 VAL 16 HG23 VAL 16 -2.854 4.200 -0.467 141 H VAL 17 HN VAL 17 -1.627 7.339 3.399 142 HA VAL 17 HA VAL 17 1.072 8.137 3.020 143 HB VAL 17 HB VAL 17 -0.755 8.679 5.368 144 HG11 VAL 17 HG11 VAL 17 1.590 8.999 5.934 145 HG12 VAL 17 HG12 VAL 17 0.751 10.550 5.839 146 HG13 VAL 17 HG13 VAL 17 1.804 10.034 4.518 147 HG21 VAL 17 HG21 VAL 17 -1.184 10.831 4.284 148 HG22 VAL 17 HG22 VAL 17 -1.673 9.496 3.240 149 HG23 VAL 17 HG23 VAL 17 -0.168 10.360 2.922 150 H ILE 18 HN ILE 18 2.578 6.634 3.339 151 HA ILE 18 HA ILE 18 2.360 4.826 5.604 152 HB ILE 18 HB ILE 18 3.991 4.807 3.074 153 HG12 ILE 18 HG12 ILE 18 2.092 2.892 4.452 154 HG13 ILE 18 HG11 ILE 18 1.826 3.779 2.955 155 HG21 ILE 18 HG21 ILE 18 5.242 2.865 3.898 156 HG22 ILE 18 HG22 ILE 18 4.524 3.071 5.495 157 HG23 ILE 18 HG23 ILE 18 5.598 4.309 4.845 158 HD11 ILE 18 HD11 ILE 18 3.834 1.575 3.360 159 HD12 ILE 18 HD12 ILE 18 3.555 2.458 1.859 160 HD13 ILE 18 HD13 ILE 18 2.285 1.434 2.528 161 HA PRO 19 HA PRO 19 5.034 7.381 8.193 162 HB2 PRO 19 HB2 PRO 19 5.067 4.598 9.299 163 HB3 PRO 19 HB1 PRO 19 5.049 6.137 10.169 164 HG2 PRO 19 HG2 PRO 19 2.792 4.809 9.887 165 HG3 PRO 19 HG1 PRO 19 2.813 6.561 9.593 166 HD2 PRO 19 HD2 PRO 19 2.697 4.320 7.627 167 HD3 PRO 19 HD1 PRO 19 1.949 5.932 7.551 168 H LYS 20 HN LYS 20 7.163 7.631 8.275 169 HA LYS 20 HA LYS 20 8.851 6.333 6.499 170 HB2 LYS 20 HB2 LYS 20 10.715 7.399 7.669 171 HB3 LYS 20 HB1 LYS 20 9.402 8.529 7.363 172 HG2 LYS 20 HG2 LYS 20 9.571 7.096 9.973 173 HG3 LYS 20 HG1 LYS 20 10.563 8.525 9.675 174 HD2 LYS 20 HD2 LYS 20 7.614 8.525 9.178 175 HD3 LYS 20 HD1 LYS 20 8.265 8.820 10.795 176 HE2 LYS 20 HE2 LYS 20 8.997 10.389 8.323 177 HE3 LYS 20 HE1 LYS 20 7.805 10.900 9.516 178 HZ1 LYS 20 HZ1 LYS 20 9.568 10.873 11.198 179 HZ2 LYS 20 HZ2 LYS 20 9.906 11.956 9.942 180 HZ3 LYS 20 HZ3 LYS 20 10.704 10.463 10.007 181 H GLU 21 HN GLU 21 7.705 5.231 9.505 182 HA GLU 21 HA GLU 21 9.976 3.782 10.371 183 HB2 GLU 21 HB2 GLU 21 8.498 2.682 11.925 184 HB3 GLU 21 HB1 GLU 21 8.104 4.394 11.857 185 HG2 GLU 21 HG2 GLU 21 6.171 3.978 10.538 186 HG3 GLU 21 HG1 GLU 21 6.624 2.289 10.313 187 H ILE 22 HN ILE 22 7.753 3.174 7.823 188 HA ILE 22 HA ILE 22 8.176 0.286 7.947 189 HB ILE 22 HB ILE 22 6.511 1.896 5.992 190 HG12 ILE 22 HG12 ILE 22 4.760 0.330 7.330 191 HG13 ILE 22 HG11 ILE 22 5.965 0.591 8.587 192 HG21 ILE 22 HG21 ILE 22 5.633 -0.291 5.282 193 HG22 ILE 22 HG22 ILE 22 6.797 -1.088 6.342 194 HG23 ILE 22 HG23 ILE 22 7.361 -0.136 4.969 195 HD11 ILE 22 HD11 ILE 22 4.170 2.205 8.734 196 HD12 ILE 22 HD12 ILE 22 4.512 2.746 7.091 197 HD13 ILE 22 HD13 ILE 22 5.708 2.986 8.366 198 H ARG 23 HN ARG 23 8.552 3.018 5.701 199 HA ARG 23 HA ARG 23 10.430 2.004 3.950 200 HB2 ARG 23 HB2 ARG 23 9.877 4.121 3.328 201 HB3 ARG 23 HB1 ARG 23 9.701 4.670 4.985 202 HG2 ARG 23 HG2 ARG 23 12.421 4.173 3.851 203 HG3 ARG 23 HG1 ARG 23 11.563 5.670 3.498 204 HD2 ARG 23 HD2 ARG 23 11.335 6.089 5.902 205 HD3 ARG 23 HD1 ARG 23 12.198 4.592 6.223 206 HE ARG 23 HE ARG 23 14.165 5.622 5.205 207 HH11 ARG 23 HH11 ARG 23 11.544 7.763 6.066 208 HH12 ARG 23 HH12 ARG 23 12.575 9.125 6.383 209 HH21 ARG 23 HH21 ARG 23 15.551 7.395 5.660 210 HH22 ARG 23 HH22 ARG 23 14.864 8.908 6.182 211 H ARG 24 HN ARG 24 10.801 3.116 7.213 212 HA ARG 24 HA ARG 24 13.558 3.077 7.441 213 HB2 ARG 24 HB2 ARG 24 12.678 4.058 9.275 214 HB3 ARG 24 HB1 ARG 24 11.261 3.020 9.281 215 HG2 ARG 24 HG2 ARG 24 12.335 1.353 10.481 216 HG3 ARG 24 HG1 ARG 24 13.940 1.980 10.100 217 HD2 ARG 24 HD2 ARG 24 11.884 3.434 11.778 218 HD3 ARG 24 HD1 ARG 24 13.171 2.421 12.450 219 HE ARG 24 HE ARG 24 14.173 4.451 10.693 220 HH11 ARG 24 HH11 ARG 24 13.067 3.839 13.964 221 HH12 ARG 24 HH12 ARG 24 14.012 5.125 14.654 222 HH21 ARG 24 HH21 ARG 24 15.399 6.134 11.586 223 HH22 ARG 24 HH22 ARG 24 15.313 6.462 13.297 224 H THR 25 HN THR 25 11.220 0.421 8.326 225 HA THR 25 HA THR 25 13.235 -1.461 8.746 226 HB THR 25 HB THR 25 10.398 -1.928 7.772 227 HG1 THR 25 HG1 THR 25 9.836 -1.904 9.953 228 HG21 THR 25 HG21 THR 25 10.586 -4.073 8.910 229 HG22 THR 25 HG22 THR 25 12.230 -3.685 9.418 230 HG23 THR 25 HG23 THR 25 11.868 -3.917 7.708 231 H LEU 26 HN LEU 26 11.684 -0.267 5.870 232 HA LEU 26 HA LEU 26 12.503 -2.217 4.009 233 HB2 LEU 26 HB2 LEU 26 11.446 0.525 3.959 234 HB3 LEU 26 HB1 LEU 26 12.476 0.139 2.587 235 HG LEU 26 HG LEU 26 10.168 -0.245 2.005 236 HD11 LEU 26 HD11 LEU 26 11.633 -2.841 2.410 237 HD12 LEU 26 HD12 LEU 26 11.842 -1.730 1.056 238 HD13 LEU 26 HD13 LEU 26 10.303 -2.561 1.287 239 HD21 LEU 26 HD21 LEU 26 8.807 -1.926 3.127 240 HD22 LEU 26 HD22 LEU 26 9.263 -0.635 4.239 241 HD23 LEU 26 HD23 LEU 26 10.091 -2.190 4.307 242 H ARG 27 HN ARG 27 14.284 0.108 5.746 243 HA ARG 27 HA ARG 27 16.441 0.790 5.762 244 HB2 ARG 27 HB2 ARG 27 16.607 -1.499 3.879 245 HB3 ARG 27 HB1 ARG 27 17.945 -0.364 3.894 246 HG2 ARG 27 HG2 ARG 27 18.501 -2.146 5.346 247 HG3 ARG 27 HG1 ARG 27 18.131 -0.746 6.353 248 HD2 ARG 27 HD2 ARG 27 15.945 -1.631 6.850 249 HD3 ARG 27 HD1 ARG 27 16.193 -2.967 5.725 250 HE ARG 27 HE ARG 27 17.886 -2.623 8.115 251 HH11 ARG 27 HH11 ARG 27 15.755 -4.567 6.140 252 HH12 ARG 27 HH12 ARG 27 16.113 -6.047 6.977 253 HH21 ARG 27 HH21 ARG 27 18.346 -4.535 9.238 254 HH22 ARG 27 HH22 ARG 27 17.601 -6.031 8.747 255 H ILE 28 HN ILE 28 14.283 1.707 3.812 256 HA ILE 28 HA ILE 28 16.005 3.026 1.820 257 HB ILE 28 HB ILE 28 13.023 2.826 1.547 258 HG12 ILE 28 HG12 ILE 28 15.082 0.696 0.876 259 HG13 ILE 28 HG11 ILE 28 13.782 0.553 2.049 260 HG21 ILE 28 HG21 ILE 28 13.537 2.930 -0.826 261 HG22 ILE 28 HG22 ILE 28 15.257 2.720 -0.510 262 HG23 ILE 28 HG23 ILE 28 14.453 4.208 -0.031 263 HD11 ILE 28 HD11 ILE 28 12.148 0.633 0.273 264 HD12 ILE 28 HD12 ILE 28 13.314 -0.661 -0.004 265 HD13 ILE 28 HD13 ILE 28 13.429 0.844 -0.919 266 H ARG 29 HN ARG 29 13.919 4.919 1.148 267 HA ARG 29 HA ARG 29 13.371 6.550 3.406 268 HB2 ARG 29 HB2 ARG 29 14.854 8.466 2.503 269 HB3 ARG 29 HB1 ARG 29 15.607 7.210 3.471 270 HG2 ARG 29 HG2 ARG 29 17.029 7.709 1.619 271 HG3 ARG 29 HG1 ARG 29 16.340 6.102 1.378 272 HD2 ARG 29 HD2 ARG 29 14.617 7.128 -0.083 273 HD3 ARG 29 HD1 ARG 29 15.469 8.667 0.071 274 HE ARG 29 HE ARG 29 16.972 6.358 -0.931 275 HH11 ARG 29 HH11 ARG 29 15.436 9.451 -1.541 276 HH12 ARG 29 HH12 ARG 29 16.169 9.653 -3.105 277 HH21 ARG 29 HH21 ARG 29 17.952 6.628 -2.962 278 HH22 ARG 29 HH22 ARG 29 17.598 8.033 -3.928 279 H GLU 30 HN GLU 30 13.475 9.022 1.918 280 HA GLU 30 HA GLU 30 10.987 8.846 0.560 281 HB2 GLU 30 HB2 GLU 30 12.997 11.022 1.014 282 HB3 GLU 30 HB1 GLU 30 11.633 11.277 -0.069 283 HG2 GLU 30 HG2 GLU 30 10.921 12.090 1.991 284 HG3 GLU 30 HG1 GLU 30 10.172 10.505 1.810 285 H GLY 31 HN GLY 31 12.618 7.093 -0.612 286 HA2 GLY 31 HA2 GLY 31 12.418 7.864 -3.368 287 HA3 GLY 31 HA1 GLY 31 14.082 7.607 -2.835 288 H ASP 32 HN ASP 32 11.325 5.928 -1.548 289 HA ASP 32 HA ASP 32 12.347 3.360 -2.530 290 HB2 ASP 32 HB2 ASP 32 11.821 3.487 -0.153 291 HB3 ASP 32 HB1 ASP 32 10.196 4.068 -0.524 292 HA PRO 33 HA PRO 33 9.227 3.615 -5.671 293 HB2 PRO 33 HB2 PRO 33 10.341 1.360 -6.925 294 HB3 PRO 33 HB1 PRO 33 10.661 3.060 -7.330 295 HG2 PRO 33 HG2 PRO 33 12.512 1.246 -6.243 296 HG3 PRO 33 HG1 PRO 33 12.690 3.011 -6.291 297 HD2 PRO 33 HD2 PRO 33 11.841 1.248 -4.045 298 HD3 PRO 33 HD1 PRO 33 12.733 2.782 -4.002 299 H LEU 34 HN LEU 34 7.907 2.465 -3.674 300 HA LEU 34 HA LEU 34 7.721 -0.309 -3.909 301 HB2 LEU 34 HB2 LEU 34 5.381 1.330 -2.955 302 HB3 LEU 34 HB1 LEU 34 5.891 -0.263 -2.430 303 HG LEU 34 HG LEU 34 8.021 1.133 -1.614 304 HD11 LEU 34 HD11 LEU 34 7.236 3.290 -2.377 305 HD12 LEU 34 HD12 LEU 34 7.230 3.255 -0.616 306 HD13 LEU 34 HD13 LEU 34 5.718 3.080 -1.507 307 HD21 LEU 34 HD21 LEU 34 6.978 1.173 0.603 308 HD22 LEU 34 HD22 LEU 34 6.661 -0.343 -0.241 309 HD23 LEU 34 HD23 LEU 34 5.402 0.889 -0.138 310 H GLU 35 HN GLU 35 5.944 -1.497 -4.487 311 HA GLU 35 HA GLU 35 4.918 -0.732 -7.151 312 HB2 GLU 35 HB2 GLU 35 6.537 -2.580 -7.321 313 HB3 GLU 35 HB1 GLU 35 5.613 -3.495 -6.136 314 HG2 GLU 35 HG2 GLU 35 3.680 -3.494 -7.692 315 HG3 GLU 35 HG1 GLU 35 4.713 -2.726 -8.903 316 H ILE 36 HN ILE 36 2.813 -0.336 -7.073 317 HA ILE 36 HA ILE 36 1.214 -1.410 -4.914 318 HB ILE 36 HB ILE 36 0.624 0.518 -7.176 319 HG12 ILE 36 HG12 ILE 36 0.182 2.073 -5.206 320 HG13 ILE 36 HG11 ILE 36 0.921 0.841 -4.192 321 HG21 ILE 36 HG21 ILE 36 -1.283 -0.422 -5.043 322 HG22 ILE 36 HG22 ILE 36 -1.388 -0.773 -6.768 323 HG23 ILE 36 HG23 ILE 36 -1.583 0.882 -6.192 324 HD11 ILE 36 HD11 ILE 36 2.999 1.057 -5.440 325 HD12 ILE 36 HD12 ILE 36 2.495 2.599 -4.751 326 HD13 ILE 36 HD13 ILE 36 2.257 2.282 -6.468 327 H PHE 37 HN PHE 37 0.559 -3.427 -5.150 328 HA PHE 37 HA PHE 37 -1.098 -4.021 -7.439 329 HB2 PHE 37 HB2 PHE 37 0.107 -5.702 -8.390 330 HB3 PHE 37 HB1 PHE 37 1.451 -4.806 -7.710 331 HD1 PHE 37 HD2 PHE 37 -0.645 -7.797 -7.342 332 HD2 PHE 37 HD1 PHE 37 2.767 -5.693 -5.926 333 HE1 PHE 37 HE2 PHE 37 0.080 -9.806 -6.127 334 HE2 PHE 37 HE1 PHE 37 3.497 -7.701 -4.710 335 HZ PHE 37 HZ PHE 37 2.152 -9.760 -4.806 336 H VAL 38 HN VAL 38 -2.896 -4.824 -6.713 337 HA VAL 38 HA VAL 38 -3.057 -5.750 -3.983 338 HB VAL 38 HB VAL 38 -4.905 -4.420 -4.646 339 HG11 VAL 38 HG11 VAL 38 -6.308 -4.910 -6.610 340 HG12 VAL 38 HG12 VAL 38 -5.210 -6.218 -7.045 341 HG13 VAL 38 HG13 VAL 38 -4.638 -4.549 -7.052 342 HG21 VAL 38 HG21 VAL 38 -5.853 -7.284 -4.792 343 HG22 VAL 38 HG22 VAL 38 -6.853 -5.879 -4.422 344 HG23 VAL 38 HG23 VAL 38 -5.571 -6.367 -3.313 345 H ASP 39 HN ASP 39 -3.391 -7.729 -3.261 346 HA ASP 39 HA ASP 39 -2.502 -9.821 -5.045 347 HB2 ASP 39 HB2 ASP 39 -1.591 -9.450 -2.701 348 HB3 ASP 39 HB1 ASP 39 -3.134 -10.087 -2.098 349 H ARG 40 HN ARG 40 -5.422 -8.962 -3.275 350 HA ARG 40 HA ARG 40 -6.604 -11.520 -4.062 351 HB2 ARG 40 HB2 ARG 40 -7.278 -10.548 -1.383 352 HB3 ARG 40 HB1 ARG 40 -7.032 -12.187 -1.975 353 HG2 ARG 40 HG2 ARG 40 -4.641 -11.829 -2.021 354 HG3 ARG 40 HG1 ARG 40 -4.881 -10.171 -1.453 355 HD2 ARG 40 HD2 ARG 40 -4.341 -11.351 0.444 356 HD3 ARG 40 HD1 ARG 40 -6.095 -11.202 0.470 357 HE ARG 40 HE ARG 40 -5.321 -13.642 -0.731 358 HH11 ARG 40 HH11 ARG 40 -5.616 -12.043 2.362 359 HH12 ARG 40 HH12 ARG 40 -5.845 -13.519 3.254 360 HH21 ARG 40 HH21 ARG 40 -5.627 -15.600 0.426 361 HH22 ARG 40 HH22 ARG 40 -5.824 -15.553 2.153 362 H ASP 41 HN ASP 41 -7.820 -9.018 -1.931 363 HA ASP 41 HA ASP 41 -10.065 -8.592 -3.789 364 HB2 ASP 41 HB2 ASP 41 -10.837 -9.904 -1.885 365 HB3 ASP 41 HB1 ASP 41 -10.121 -8.748 -0.765 366 H GLY 42 HN GLY 42 -8.786 -7.235 -0.807 367 HA2 GLY 42 HA2 GLY 42 -8.726 -4.599 -2.112 368 HA3 GLY 42 HA1 GLY 42 -9.488 -4.802 -0.540 369 H GLU 43 HN GLU 43 -6.833 -6.831 -0.970 370 HA GLU 43 HA GLU 43 -5.226 -5.140 0.780 371 HB2 GLU 43 HB2 GLU 43 -4.248 -7.811 -0.125 372 HB3 GLU 43 HB1 GLU 43 -4.063 -7.016 1.432 373 HG2 GLU 43 HG2 GLU 43 -6.725 -7.435 1.415 374 HG3 GLU 43 HG1 GLU 43 -6.169 -8.812 0.465 375 H VAL 44 HN VAL 44 -4.151 -3.657 -0.337 376 HA VAL 44 HA VAL 44 -2.989 -4.304 -2.925 377 HB VAL 44 HB VAL 44 -2.476 -1.719 -1.513 378 HG11 VAL 44 HG11 VAL 44 -2.531 -0.863 -3.830 379 HG12 VAL 44 HG12 VAL 44 -2.838 -2.504 -4.403 380 HG13 VAL 44 HG13 VAL 44 -1.324 -2.124 -3.584 381 HG21 VAL 44 HG21 VAL 44 -4.885 -2.053 -1.263 382 HG22 VAL 44 HG22 VAL 44 -5.033 -2.377 -2.990 383 HG23 VAL 44 HG23 VAL 44 -4.551 -0.774 -2.431 384 H ILE 45 HN ILE 45 -0.886 -4.674 -3.239 385 HA ILE 45 HA ILE 45 0.786 -4.814 -0.821 386 HB ILE 45 HB ILE 45 0.796 -6.464 -3.346 387 HG12 ILE 45 HG12 ILE 45 0.575 -8.361 -1.777 388 HG13 ILE 45 HG11 ILE 45 0.569 -7.236 -0.424 389 HG21 ILE 45 HG21 ILE 45 3.089 -5.951 -2.895 390 HG22 ILE 45 HG22 ILE 45 2.793 -7.616 -2.390 391 HG23 ILE 45 HG23 ILE 45 2.893 -6.335 -1.183 392 HD11 ILE 45 HD11 ILE 45 -1.643 -8.088 -0.959 393 HD12 ILE 45 HD12 ILE 45 -1.518 -7.394 -2.579 394 HD13 ILE 45 HD13 ILE 45 -1.532 -6.338 -1.155 395 H LEU 46 HN LEU 46 2.206 -3.214 -0.817 396 HA LEU 46 HA LEU 46 3.229 -2.103 -3.347 397 HB2 LEU 46 HB2 LEU 46 3.857 -0.818 -0.746 398 HB3 LEU 46 HB1 LEU 46 3.431 -0.083 -2.280 399 HG LEU 46 HG LEU 46 1.415 -1.497 -0.564 400 HD11 LEU 46 HD11 LEU 46 2.179 1.418 -0.561 401 HD12 LEU 46 HD12 LEU 46 2.440 0.268 0.752 402 HD13 LEU 46 HD13 LEU 46 0.799 0.716 0.284 403 HD21 LEU 46 HD21 LEU 46 0.780 -1.147 -2.888 404 HD22 LEU 46 HD22 LEU 46 1.167 0.566 -2.751 405 HD23 LEU 46 HD23 LEU 46 -0.169 -0.112 -1.821 406 H LYS 47 HN LYS 47 5.224 -2.908 -3.918 407 HA LYS 47 HA LYS 47 7.082 -3.311 -1.671 408 HB2 LYS 47 HB2 LYS 47 7.442 -5.453 -2.099 409 HB3 LYS 47 HB1 LYS 47 6.017 -5.376 -3.113 410 HG2 LYS 47 HG2 LYS 47 8.636 -4.685 -4.321 411 HG3 LYS 47 HG1 LYS 47 8.294 -6.376 -3.966 412 HD2 LYS 47 HD2 LYS 47 6.814 -4.517 -5.812 413 HD3 LYS 47 HD1 LYS 47 7.621 -6.042 -6.195 414 HE2 LYS 47 HE2 LYS 47 5.836 -6.905 -4.374 415 HE3 LYS 47 HE1 LYS 47 4.944 -5.547 -5.064 416 HZ1 LYS 47 HZ1 LYS 47 4.517 -7.636 -6.227 417 HZ2 LYS 47 HZ2 LYS 47 6.152 -7.759 -6.626 418 HZ3 LYS 47 HZ3 LYS 47 5.218 -6.487 -7.257 419 H LYS 48 HN LYS 48 9.195 -2.994 -1.973 420 HA LYS 48 HA LYS 48 9.962 -0.618 -2.869 421 HB2 LYS 48 HB2 LYS 48 12.323 -1.678 -2.881 422 HB3 LYS 48 HB1 LYS 48 11.366 -1.652 -1.400 423 HG2 LYS 48 HG2 LYS 48 10.570 -3.989 -2.608 424 HG3 LYS 48 HG1 LYS 48 12.291 -3.904 -2.990 425 HD2 LYS 48 HD2 LYS 48 11.180 -3.555 -0.219 426 HD3 LYS 48 HD1 LYS 48 11.734 -5.106 -0.856 427 HE2 LYS 48 HE2 LYS 48 13.952 -4.019 -1.289 428 HE3 LYS 48 HE1 LYS 48 13.358 -2.606 -0.420 429 HZ1 LYS 48 HZ1 LYS 48 14.692 -4.214 0.932 430 HZ2 LYS 48 HZ2 LYS 48 13.420 -5.324 0.774 431 HZ3 LYS 48 HZ3 LYS 48 13.170 -3.849 1.569 432 H TYR 49 HN TYR 49 9.577 -3.170 -5.137 433 HA TYR 49 HA TYR 49 9.676 -3.190 -7.389 434 HB2 TYR 49 HB2 TYR 49 8.936 -0.936 -7.514 435 HB3 TYR 49 HB1 TYR 49 10.541 -0.344 -7.106 436 HD1 TYR 49 HD1 TYR 49 9.266 -2.806 -9.629 437 HD2 TYR 49 HD2 TYR 49 11.519 0.730 -8.899 438 HE1 TYR 49 HE1 TYR 49 9.858 -2.696 -12.009 439 HE2 TYR 49 HE2 TYR 49 12.112 0.845 -11.283 440 HH TYR 49 HH TYR 49 12.288 -0.606 -13.209 441 H SER 50 HN SER 50 12.452 -1.334 -6.206 442 HA SER 50 HA SER 50 14.186 -1.850 -8.283 443 HB2 SER 50 HB2 SER 50 14.577 -1.068 -5.414 444 HB3 SER 50 HB1 SER 50 15.975 -1.321 -6.474 445 HG SER 50 HG SER 50 13.801 0.332 -7.213 446 HA PRO 51 HA PRO 51 15.555 -5.967 -6.389 447 HB2 PRO 51 HB2 PRO 51 14.862 -6.745 -3.958 448 HB3 PRO 51 HB1 PRO 51 16.170 -5.571 -4.180 449 HG2 PRO 51 HG2 PRO 51 13.330 -5.124 -3.346 450 HG3 PRO 51 HG1 PRO 51 14.808 -4.338 -2.757 451 HD2 PRO 51 HD2 PRO 51 13.046 -3.301 -4.648 452 HD3 PRO 51 HD1 PRO 51 14.709 -2.749 -4.381 453 H ILE 52 HN ILE 52 12.616 -4.855 -6.828 454 HA ILE 52 HA ILE 52 10.495 -5.590 -7.130 455 HB ILE 52 HB ILE 52 11.371 -8.411 -7.523 456 HG12 ILE 52 HG12 ILE 52 12.268 -6.149 -9.331 457 HG13 ILE 52 HG11 ILE 52 13.327 -7.109 -8.299 458 HG21 ILE 52 HG21 ILE 52 9.858 -6.474 -9.286 459 HG22 ILE 52 HG22 ILE 52 9.095 -7.523 -8.094 460 HG23 ILE 52 HG23 ILE 52 9.945 -8.225 -9.472 461 HD11 ILE 52 HD11 ILE 52 11.697 -8.154 -10.604 462 HD12 ILE 52 HD12 ILE 52 12.781 -9.100 -9.585 463 HD13 ILE 52 HD13 ILE 52 13.430 -7.828 -10.620 464 H SER 53 HN SER 53 9.652 -8.456 -6.487 465 HA SER 53 HA SER 53 8.974 -7.960 -3.742 466 HB2 SER 53 HB2 SER 53 8.413 -10.235 -5.632 467 HB3 SER 53 HB1 SER 53 7.906 -10.282 -3.945 468 HG SER 53 HG SER 53 6.497 -8.686 -4.292 469 H GLU 54 HN GLU 54 11.493 -9.299 -5.328 470 HA GLU 54 HA GLU 54 13.102 -10.207 -3.330 471 HB2 GLU 54 HB2 GLU 54 11.155 -11.833 -2.948 472 HB3 GLU 54 HB1 GLU 54 11.586 -12.556 -4.491 473 HG2 GLU 54 HG2 GLU 54 13.811 -13.073 -3.609 474 HG3 GLU 54 HG1 GLU 54 13.342 -12.377 -2.056 475 H LEU 55 HN LEU 55 11.765 -11.616 -6.274 476 HA LEU 55 HA LEU 55 13.162 -10.371 -8.191 477 HB2 LEU 55 HB2 LEU 55 15.066 -11.815 -6.813 478 HB3 LEU 55 HB1 LEU 55 14.677 -12.874 -8.156 479 HG LEU 55 HG LEU 55 16.599 -11.382 -8.621 480 HD11 LEU 55 HD11 LEU 55 15.855 -10.629 -10.810 481 HD12 LEU 55 HD12 LEU 55 14.173 -10.831 -10.323 482 HD13 LEU 55 HD13 LEU 55 15.227 -12.239 -10.456 483 HD21 LEU 55 HD21 LEU 55 14.514 -9.216 -8.318 484 HD22 LEU 55 HD22 LEU 55 16.112 -8.978 -9.033 485 HD23 LEU 55 HD23 LEU 55 15.969 -9.446 -7.339 486 H1 MET 1 HT1 MET 1 -8.445 -12.020 -10.161 487 H2 MET 1 HT2 MET 1 -8.425 -13.372 -11.184 488 H3 MET 1 HT3 MET 1 -8.624 -11.822 -11.835 489 HA MET 1 HA MET 1 -6.201 -12.774 -10.425 490 HB2 MET 1 HB2 MET 1 -6.752 -12.342 -13.369 491 HB3 MET 1 HB1 MET 1 -5.148 -12.584 -12.693 492 HG2 MET 1 HG2 MET 1 -7.426 -14.549 -12.609 493 HG3 MET 1 HG1 MET 1 -6.016 -14.630 -13.664 494 HE1 MET 1 HE1 MET 1 -5.378 -17.036 -12.966 495 HE2 MET 1 HE2 MET 1 -6.813 -17.127 -11.946 496 HE3 MET 1 HE3 MET 1 -5.240 -17.592 -11.298 497 H LYS 2 HN LYS 2 -5.529 -11.032 -9.301 498 HA LYS 2 HA LYS 2 -5.862 -8.395 -10.522 499 HB2 LYS 2 HB2 LYS 2 -5.256 -9.214 -7.685 500 HB3 LYS 2 HB1 LYS 2 -5.210 -7.546 -8.241 501 HG2 LYS 2 HG2 LYS 2 -7.588 -9.382 -8.112 502 HG3 LYS 2 HG1 LYS 2 -7.323 -7.874 -7.232 503 HD2 LYS 2 HD2 LYS 2 -7.653 -8.125 -10.225 504 HD3 LYS 2 HD1 LYS 2 -8.902 -7.589 -9.102 505 HE2 LYS 2 HE2 LYS 2 -7.739 -5.600 -8.596 506 HE3 LYS 2 HE1 LYS 2 -6.240 -6.202 -9.311 507 HZ1 LYS 2 HZ1 LYS 2 -8.705 -5.709 -10.898 508 HZ2 LYS 2 HZ2 LYS 2 -7.134 -5.992 -11.474 509 HZ3 LYS 2 HZ3 LYS 2 -7.493 -4.541 -10.686 510 H ALA 3 HN ALA 3 -3.606 -7.877 -8.368 511 HA ALA 3 HA ALA 3 -1.424 -7.308 -8.421 512 HB1 ALA 3 HB1 ALA 3 -0.990 -9.687 -8.885 513 HB2 ALA 3 HB2 ALA 3 0.176 -8.629 -9.680 514 HB3 ALA 3 HB3 ALA 3 -1.128 -9.361 -10.614 515 H THR 4 HN THR 4 -1.805 -5.250 -9.056 516 HA THR 4 HA THR 4 -2.157 -4.564 -11.810 517 HB THR 4 HB THR 4 -2.069 -2.205 -10.858 518 HG1 THR 4 HG1 THR 4 -1.203 -2.315 -8.876 519 HG21 THR 4 HG21 THR 4 -4.136 -4.112 -9.763 520 HG22 THR 4 HG22 THR 4 -4.159 -3.409 -11.381 521 HG23 THR 4 HG23 THR 4 -4.329 -2.369 -9.966 522 H GLY 5 HN GLY 5 0.343 -3.989 -9.383 523 HA2 GLY 5 HA2 GLY 5 2.630 -3.875 -9.638 524 HA3 GLY 5 HA1 GLY 5 2.417 -4.350 -11.312 525 H ILE 6 HN ILE 6 1.263 -1.518 -9.520 526 HA ILE 6 HA ILE 6 2.672 0.152 -11.486 527 HB ILE 6 HB ILE 6 0.454 0.835 -11.635 528 HG12 ILE 6 HG12 ILE 6 0.289 3.052 -10.514 529 HG13 ILE 6 HG11 ILE 6 1.686 2.625 -9.532 530 HG21 ILE 6 HG21 ILE 6 -0.453 -0.467 -9.812 531 HG22 ILE 6 HG22 ILE 6 -1.057 1.190 -9.746 532 HG23 ILE 6 HG23 ILE 6 0.216 0.670 -8.641 533 HD11 ILE 6 HD11 ILE 6 3.023 2.438 -11.606 534 HD12 ILE 6 HD12 ILE 6 2.390 4.056 -11.307 535 HD13 ILE 6 HD13 ILE 6 1.625 3.018 -12.514 536 H VAL 7 HN VAL 7 4.571 0.693 -10.770 537 HA VAL 7 HA VAL 7 5.185 0.818 -7.951 538 HB VAL 7 HB VAL 7 6.826 1.252 -10.434 539 HG11 VAL 7 HG11 VAL 7 8.768 1.621 -9.056 540 HG12 VAL 7 HG12 VAL 7 7.804 1.457 -7.589 541 HG13 VAL 7 HG13 VAL 7 7.551 2.838 -8.658 542 HG21 VAL 7 HG21 VAL 7 8.000 -0.742 -9.598 543 HG22 VAL 7 HG22 VAL 7 6.281 -1.044 -9.860 544 HG23 VAL 7 HG23 VAL 7 6.895 -0.802 -8.225 545 H ARG 8 HN ARG 8 5.426 2.605 -6.688 546 HA ARG 8 HA ARG 8 5.274 5.232 -7.941 547 HB2 ARG 8 HB2 ARG 8 3.176 5.446 -7.082 548 HB3 ARG 8 HB1 ARG 8 3.339 4.003 -6.099 549 HG2 ARG 8 HG2 ARG 8 2.883 5.903 -4.675 550 HG3 ARG 8 HG1 ARG 8 4.534 5.340 -4.378 551 HD2 ARG 8 HD2 ARG 8 4.504 7.740 -4.450 552 HD3 ARG 8 HD1 ARG 8 5.363 7.119 -5.865 553 HE ARG 8 HE ARG 8 2.794 7.480 -6.737 554 HH11 ARG 8 HH11 ARG 8 5.142 9.541 -5.152 555 HH12 ARG 8 HH12 ARG 8 4.649 10.971 -6.004 556 HH21 ARG 8 HH21 ARG 8 2.100 9.363 -7.817 557 HH22 ARG 8 HH22 ARG 8 2.895 10.883 -7.507 558 H ARG 9 HN ARG 9 7.203 6.141 -7.407 559 HA ARG 9 HA ARG 9 8.612 5.289 -5.040 560 HB2 ARG 9 HB2 ARG 9 9.544 6.275 -7.321 561 HB3 ARG 9 HB1 ARG 9 9.345 7.802 -6.452 562 HG2 ARG 9 HG2 ARG 9 10.993 7.352 -4.991 563 HG3 ARG 9 HG1 ARG 9 10.735 5.604 -5.050 564 HD2 ARG 9 HD2 ARG 9 11.675 5.611 -7.353 565 HD3 ARG 9 HD1 ARG 9 12.036 7.326 -7.163 566 HE ARG 9 HE ARG 9 13.173 5.670 -5.103 567 HH11 ARG 9 HH11 ARG 9 13.642 6.955 -8.330 568 HH12 ARG 9 HH12 ARG 9 15.378 6.803 -8.275 569 HH21 ARG 9 HH21 ARG 9 15.439 5.495 -5.016 570 HH22 ARG 9 HH22 ARG 9 16.403 5.996 -6.372 571 H ILE 10 HN ILE 10 7.739 5.767 -3.238 572 HA ILE 10 HA ILE 10 5.885 7.084 -2.179 573 HB ILE 10 HB ILE 10 7.546 8.064 -0.341 574 HG12 ILE 10 HG12 ILE 10 9.679 6.949 -0.300 575 HG13 ILE 10 HG11 ILE 10 9.244 5.932 -1.668 576 HG21 ILE 10 HG21 ILE 10 7.595 5.747 0.589 577 HG22 ILE 10 HG22 ILE 10 6.923 5.189 -0.949 578 HG23 ILE 10 HG23 ILE 10 6.006 6.307 0.060 579 HD11 ILE 10 HD11 ILE 10 10.019 8.819 -1.656 580 HD12 ILE 10 HD12 ILE 10 9.161 8.094 -3.017 581 HD13 ILE 10 HD13 ILE 10 10.740 7.470 -2.537 582 H ASP 11 HN ASP 11 8.252 9.357 -1.282 583 HA ASP 11 HA ASP 11 8.151 11.442 -2.964 584 HB2 ASP 11 HB2 ASP 11 6.296 12.834 -2.456 585 HB3 ASP 11 HB1 ASP 11 5.597 11.233 -2.647 586 H ASP 12 HN ASP 12 7.780 13.624 -1.168 587 HA ASP 12 HA ASP 12 10.176 13.329 0.361 588 HB2 ASP 12 HB2 ASP 12 9.435 15.457 -0.739 589 HB3 ASP 12 HB1 ASP 12 8.172 15.589 0.479 590 H LEU 13 HN LEU 13 6.987 12.490 0.977 591 HA LEU 13 HA LEU 13 7.346 12.723 3.882 592 HB2 LEU 13 HB2 LEU 13 5.346 13.776 2.683 593 HB3 LEU 13 HB1 LEU 13 4.772 12.140 2.439 594 HG LEU 13 HG LEU 13 3.791 13.422 4.394 595 HD11 LEU 13 HD11 LEU 13 5.130 10.789 4.989 596 HD12 LEU 13 HD12 LEU 13 3.592 10.995 4.151 597 HD13 LEU 13 HD13 LEU 13 3.743 11.472 5.842 598 HD21 LEU 13 HD21 LEU 13 5.889 14.423 5.154 599 HD22 LEU 13 HD22 LEU 13 6.490 12.824 5.590 600 HD23 LEU 13 HD23 LEU 13 5.098 13.505 6.435 601 H GLY 14 HN GLY 14 5.799 10.477 1.548 602 HA2 GLY 14 HA2 GLY 14 6.905 8.159 1.747 603 HA3 GLY 14 HA1 GLY 14 6.382 8.292 3.430 604 H ARG 15 HN ARG 15 4.369 9.708 0.990 605 HA ARG 15 HA ARG 15 2.239 7.898 1.637 606 HB2 ARG 15 HB2 ARG 15 2.388 9.937 -0.577 607 HB3 ARG 15 HB1 ARG 15 0.945 9.073 -0.076 608 HG2 ARG 15 HG2 ARG 15 0.499 10.704 1.323 609 HG3 ARG 15 HG1 ARG 15 1.987 10.329 2.209 610 HD2 ARG 15 HD2 ARG 15 3.239 11.863 0.999 611 HD3 ARG 15 HD1 ARG 15 2.051 11.928 -0.306 612 HE ARG 15 HE ARG 15 0.699 12.914 1.835 613 HH11 ARG 15 HH11 ARG 15 3.801 13.739 0.385 614 HH12 ARG 15 HH12 ARG 15 3.662 15.426 0.795 615 HH21 ARG 15 HH21 ARG 15 0.549 15.095 2.374 616 HH22 ARG 15 HH22 ARG 15 1.839 16.186 1.966 617 H VAL 16 HN VAL 16 1.332 6.376 0.370 618 HA VAL 16 HA VAL 16 2.697 5.757 -2.152 619 HB VAL 16 HB VAL 16 0.800 4.028 -0.553 620 HG11 VAL 16 HG11 VAL 16 0.725 3.576 -2.943 621 HG12 VAL 16 HG12 VAL 16 1.494 2.250 -2.075 622 HG13 VAL 16 HG13 VAL 16 2.479 3.404 -2.974 623 HG21 VAL 16 HG21 VAL 16 3.796 3.894 -0.836 624 HG22 VAL 16 HG22 VAL 16 2.789 2.699 -0.016 625 HG23 VAL 16 HG23 VAL 16 2.900 4.342 0.615 626 H VAL 17 HN VAL 17 1.731 7.162 -3.498 627 HA VAL 17 HA VAL 17 -0.966 7.998 -3.186 628 HB VAL 17 HB VAL 17 0.815 8.347 -5.605 629 HG11 VAL 17 HG11 VAL 17 -1.544 8.723 -6.079 630 HG12 VAL 17 HG12 VAL 17 -0.651 10.247 -6.109 631 HG13 VAL 17 HG13 VAL 17 -1.654 9.839 -4.715 632 HG21 VAL 17 HG21 VAL 17 1.252 10.601 -4.627 633 HG22 VAL 17 HG22 VAL 17 1.927 9.268 -3.692 634 HG23 VAL 17 HG23 VAL 17 0.450 10.065 -3.148 635 H ILE 18 HN ILE 18 -2.428 6.416 -3.356 636 HA ILE 18 HA ILE 18 -2.259 4.503 -5.530 637 HB ILE 18 HB ILE 18 -3.857 4.631 -2.985 638 HG12 ILE 18 HG12 ILE 18 -1.992 2.628 -4.273 639 HG13 ILE 18 HG11 ILE 18 -1.684 3.608 -2.844 640 HG21 ILE 18 HG21 ILE 18 -5.480 4.039 -4.717 641 HG22 ILE 18 HG22 ILE 18 -5.126 2.656 -3.682 642 HG23 ILE 18 HG23 ILE 18 -4.416 2.755 -5.294 643 HD11 ILE 18 HD11 ILE 18 -3.415 2.372 -1.638 644 HD12 ILE 18 HD12 ILE 18 -2.142 1.312 -2.241 645 HD13 ILE 18 HD13 ILE 18 -3.697 1.382 -3.070 646 HA PRO 19 HA PRO 19 -4.968 7.008 -8.118 647 HB2 PRO 19 HB2 PRO 19 -4.874 4.283 -9.348 648 HB3 PRO 19 HB1 PRO 19 -4.838 5.868 -10.133 649 HG2 PRO 19 HG2 PRO 19 -2.583 4.551 -9.837 650 HG3 PRO 19 HG1 PRO 19 -2.633 6.282 -9.437 651 HD2 PRO 19 HD2 PRO 19 -2.648 3.918 -7.604 652 HD3 PRO 19 HD1 PRO 19 -1.821 5.484 -7.420 653 H LYS 20 HN LYS 20 -7.135 7.043 -8.422 654 HA LYS 20 HA LYS 20 -8.709 5.703 -6.523 655 HB2 LYS 20 HB2 LYS 20 -10.659 6.724 -7.769 656 HB3 LYS 20 HB1 LYS 20 -9.471 7.840 -7.120 657 HG2 LYS 20 HG2 LYS 20 -9.358 6.920 -9.968 658 HG3 LYS 20 HG1 LYS 20 -10.366 8.280 -9.466 659 HD2 LYS 20 HD2 LYS 20 -7.423 8.086 -8.867 660 HD3 LYS 20 HD1 LYS 20 -8.060 8.875 -10.316 661 HE2 LYS 20 HE2 LYS 20 -8.745 9.630 -7.471 662 HE3 LYS 20 HE1 LYS 20 -7.572 10.470 -8.485 663 HZ1 LYS 20 HZ1 LYS 20 -10.503 10.256 -8.930 664 HZ2 LYS 20 HZ2 LYS 20 -9.420 10.882 -10.074 665 HZ3 LYS 20 HZ3 LYS 20 -9.612 11.659 -8.578 666 H GLU 21 HN GLU 21 -7.670 4.738 -9.628 667 HA GLU 21 HA GLU 21 -9.792 3.055 -10.369 668 HB2 GLU 21 HB2 GLU 21 -7.615 1.717 -11.330 669 HB3 GLU 21 HB1 GLU 21 -8.443 3.032 -12.147 670 HG2 GLU 21 HG2 GLU 21 -6.263 3.644 -10.225 671 HG3 GLU 21 HG1 GLU 21 -5.857 3.067 -11.840 672 H ILE 22 HN ILE 22 -7.526 2.693 -7.801 673 HA ILE 22 HA ILE 22 -7.830 -0.211 -7.774 674 HB ILE 22 HB ILE 22 -6.227 1.587 -5.938 675 HG12 ILE 22 HG12 ILE 22 -4.378 0.062 -7.121 676 HG13 ILE 22 HG11 ILE 22 -5.602 0.020 -8.387 677 HG21 ILE 22 HG21 ILE 22 -5.276 -0.476 -5.031 678 HG22 ILE 22 HG22 ILE 22 -6.361 -1.424 -6.048 679 HG23 ILE 22 HG23 ILE 22 -7.018 -0.402 -4.770 680 HD11 ILE 22 HD11 ILE 22 -3.952 1.765 -8.770 681 HD12 ILE 22 HD12 ILE 22 -4.393 2.514 -7.233 682 HD13 ILE 22 HD13 ILE 22 -5.572 2.425 -8.542 683 H ARG 23 HN ARG 23 -8.296 2.589 -5.666 684 HA ARG 23 HA ARG 23 -10.083 1.506 -3.831 685 HB2 ARG 23 HB2 ARG 23 -9.467 3.577 -3.156 686 HB3 ARG 23 HB1 ARG 23 -9.285 4.168 -4.795 687 HG2 ARG 23 HG2 ARG 23 -11.997 3.809 -3.591 688 HG3 ARG 23 HG1 ARG 23 -11.030 5.242 -3.250 689 HD2 ARG 23 HD2 ARG 23 -10.834 5.027 -5.970 690 HD3 ARG 23 HD1 ARG 23 -12.475 4.472 -5.660 691 HE ARG 23 HE ARG 23 -11.661 6.999 -4.434 692 HH11 ARG 23 HH11 ARG 23 -13.458 5.347 -6.957 693 HH12 ARG 23 HH12 ARG 23 -14.347 6.765 -7.416 694 HH21 ARG 23 HH21 ARG 23 -12.831 8.839 -5.026 695 HH22 ARG 23 HH22 ARG 23 -14.004 8.745 -6.310 696 H ARG 24 HN ARG 24 -10.540 2.526 -7.107 697 HA ARG 24 HA ARG 24 -13.328 2.435 -7.264 698 HB2 ARG 24 HB2 ARG 24 -12.450 3.346 -9.167 699 HB3 ARG 24 HB1 ARG 24 -11.084 2.239 -9.189 700 HG2 ARG 24 HG2 ARG 24 -12.201 0.644 -10.354 701 HG3 ARG 24 HG1 ARG 24 -13.783 1.129 -9.746 702 HD2 ARG 24 HD2 ARG 24 -12.082 2.618 -11.759 703 HD3 ARG 24 HD1 ARG 24 -13.531 1.676 -12.120 704 HE ARG 24 HE ARG 24 -14.379 3.521 -10.298 705 HH11 ARG 24 HH11 ARG 24 -12.761 3.688 -13.411 706 HH12 ARG 24 HH12 ARG 24 -13.417 5.251 -13.799 707 HH21 ARG 24 HH21 ARG 24 -15.251 5.577 -10.832 708 HH22 ARG 24 HH22 ARG 24 -14.807 6.326 -12.339 709 H THR 25 HN THR 25 -10.914 -0.169 -8.081 710 HA THR 25 HA THR 25 -12.912 -2.074 -8.470 711 HB THR 25 HB THR 25 -10.021 -2.491 -7.635 712 HG1 THR 25 HG1 THR 25 -9.967 -1.282 -9.490 713 HG21 THR 25 HG21 THR 25 -10.228 -4.625 -8.839 714 HG22 THR 25 HG22 THR 25 -11.930 -4.283 -9.154 715 HG23 THR 25 HG23 THR 25 -11.372 -4.531 -7.499 716 H LEU 26 HN LEU 26 -11.392 -0.767 -5.670 717 HA LEU 26 HA LEU 26 -12.081 -2.730 -3.759 718 HB2 LEU 26 HB2 LEU 26 -11.122 0.042 -3.790 719 HB3 LEU 26 HB1 LEU 26 -12.149 -0.324 -2.413 720 HG LEU 26 HG LEU 26 -9.839 -0.615 -1.794 721 HD11 LEU 26 HD11 LEU 26 -11.278 -3.233 -2.117 722 HD12 LEU 26 HD12 LEU 26 -11.406 -2.111 -0.763 723 HD13 LEU 26 HD13 LEU 26 -9.890 -2.962 -1.065 724 HD21 LEU 26 HD21 LEU 26 -8.420 -2.303 -2.858 725 HD22 LEU 26 HD22 LEU 26 -8.878 -1.033 -3.990 726 HD23 LEU 26 HD23 LEU 26 -9.675 -2.605 -4.059 727 H ARG 27 HN ARG 27 -13.930 -0.525 -5.557 728 HA ARG 27 HA ARG 27 -16.084 0.138 -5.588 729 HB2 ARG 27 HB2 ARG 27 -16.243 -2.186 -3.734 730 HB3 ARG 27 HB1 ARG 27 -17.635 -1.120 -3.857 731 HG2 ARG 27 HG2 ARG 27 -17.951 -2.954 -5.351 732 HG3 ARG 27 HG1 ARG 27 -17.636 -1.509 -6.311 733 HD2 ARG 27 HD2 ARG 27 -15.280 -2.214 -6.529 734 HD3 ARG 27 HD1 ARG 27 -15.662 -3.691 -5.646 735 HE ARG 27 HE ARG 27 -17.276 -3.206 -7.999 736 HH11 ARG 27 HH11 ARG 27 -14.359 -4.702 -6.743 737 HH12 ARG 27 HH12 ARG 27 -14.294 -5.898 -7.999 738 HH21 ARG 27 HH21 ARG 27 -17.155 -4.728 -9.660 739 HH22 ARG 27 HH22 ARG 27 -15.873 -5.906 -9.683 740 H ILE 28 HN ILE 28 -14.017 1.180 -3.726 741 HA ILE 28 HA ILE 28 -15.772 2.482 -1.746 742 HB ILE 28 HB ILE 28 -12.794 2.205 -1.397 743 HG12 ILE 28 HG12 ILE 28 -14.937 0.253 -0.489 744 HG13 ILE 28 HG11 ILE 28 -13.749 -0.057 -1.749 745 HG21 ILE 28 HG21 ILE 28 -15.103 2.513 0.547 746 HG22 ILE 28 HG22 ILE 28 -13.992 3.790 0.053 747 HG23 ILE 28 HG23 ILE 28 -13.397 2.417 0.986 748 HD11 ILE 28 HD11 ILE 28 -11.967 0.029 -0.138 749 HD12 ILE 28 HD12 ILE 28 -13.197 -1.123 0.385 750 HD13 ILE 28 HD13 ILE 28 -13.102 0.470 1.137 751 H ARG 29 HN ARG 29 -13.853 4.446 -1.017 752 HA ARG 29 HA ARG 29 -13.254 5.995 -3.352 753 HB2 ARG 29 HB2 ARG 29 -14.816 7.885 -2.479 754 HB3 ARG 29 HB1 ARG 29 -15.503 6.590 -3.449 755 HG2 ARG 29 HG2 ARG 29 -16.948 7.079 -1.577 756 HG3 ARG 29 HG1 ARG 29 -16.252 5.469 -1.389 757 HD2 ARG 29 HD2 ARG 29 -14.470 6.588 0.040 758 HD3 ARG 29 HD1 ARG 29 -15.530 7.999 0.057 759 HE ARG 29 HE ARG 29 -16.560 5.402 0.967 760 HH11 ARG 29 HH11 ARG 29 -15.803 8.768 1.590 761 HH12 ARG 29 HH12 ARG 29 -16.455 8.742 3.201 762 HH21 ARG 29 HH21 ARG 29 -17.380 5.352 3.084 763 HH22 ARG 29 HH22 ARG 29 -17.381 6.808 4.044 764 H GLU 30 HN GLU 30 -13.535 8.498 -1.882 765 HA GLU 30 HA GLU 30 -10.981 8.493 -0.633 766 HB2 GLU 30 HB2 GLU 30 -13.115 10.540 -1.103 767 HB3 GLU 30 HB1 GLU 30 -11.743 10.912 -0.065 768 HG2 GLU 30 HG2 GLU 30 -11.174 11.692 -2.188 769 HG3 GLU 30 HG1 GLU 30 -10.263 10.207 -1.951 770 H GLY 31 HN GLY 31 -12.780 6.768 0.600 771 HA2 GLY 31 HA2 GLY 31 -12.320 7.581 3.327 772 HA3 GLY 31 HA1 GLY 31 -14.010 7.276 2.910 773 H ASP 32 HN ASP 32 -11.189 5.662 1.600 774 HA ASP 32 HA ASP 32 -12.143 3.103 2.650 775 HB2 ASP 32 HB2 ASP 32 -11.640 3.029 0.321 776 HB3 ASP 32 HB1 ASP 32 -10.076 3.813 0.573 777 HA PRO 33 HA PRO 33 -9.009 3.487 5.761 778 HB2 PRO 33 HB2 PRO 33 -10.045 1.253 7.088 779 HB3 PRO 33 HB1 PRO 33 -10.403 2.952 7.444 780 HG2 PRO 33 HG2 PRO 33 -12.214 1.058 6.432 781 HG3 PRO 33 HG1 PRO 33 -12.446 2.812 6.467 782 HD2 PRO 33 HD2 PRO 33 -11.622 1.059 4.194 783 HD3 PRO 33 HD1 PRO 33 -12.530 2.591 4.192 784 H LEU 34 HN LEU 34 -7.509 2.497 4.002 785 HA LEU 34 HA LEU 34 -7.292 -0.298 4.115 786 HB2 LEU 34 HB2 LEU 34 -4.860 1.253 3.368 787 HB3 LEU 34 HB1 LEU 34 -5.551 -0.166 2.612 788 HG LEU 34 HG LEU 34 -7.447 1.598 1.952 789 HD11 LEU 34 HD11 LEU 34 -6.233 3.426 3.170 790 HD12 LEU 34 HD12 LEU 34 -6.552 3.758 1.467 791 HD13 LEU 34 HD13 LEU 34 -4.940 3.267 1.981 792 HD21 LEU 34 HD21 LEU 34 -4.810 1.286 0.520 793 HD22 LEU 34 HD22 LEU 34 -6.327 1.822 -0.202 794 HD23 LEU 34 HD23 LEU 34 -6.178 0.178 0.417 795 H GLU 35 HN GLU 35 -5.652 -1.516 4.857 796 HA GLU 35 HA GLU 35 -4.596 -0.637 7.472 797 HB2 GLU 35 HB2 GLU 35 -6.151 -2.539 7.689 798 HB3 GLU 35 HB1 GLU 35 -5.175 -3.458 6.552 799 HG2 GLU 35 HG2 GLU 35 -3.280 -3.318 8.119 800 HG3 GLU 35 HG1 GLU 35 -4.340 -2.518 9.282 801 H ILE 36 HN ILE 36 -2.502 -0.212 7.412 802 HA ILE 36 HA ILE 36 -0.901 -1.264 5.226 803 HB ILE 36 HB ILE 36 -0.363 0.793 7.390 804 HG12 ILE 36 HG12 ILE 36 -0.014 2.257 5.306 805 HG13 ILE 36 HG11 ILE 36 -0.806 0.961 4.418 806 HG21 ILE 36 HG21 ILE 36 1.798 1.223 6.336 807 HG22 ILE 36 HG22 ILE 36 1.540 -0.142 5.250 808 HG23 ILE 36 HG23 ILE 36 1.698 -0.413 6.985 809 HD11 ILE 36 HD11 ILE 36 -2.765 1.231 5.939 810 HD12 ILE 36 HD12 ILE 36 -2.429 2.618 4.906 811 HD13 ILE 36 HD13 ILE 36 -1.973 2.660 6.608 812 H PHE 37 HN PHE 37 -0.156 -3.243 5.556 813 HA PHE 37 HA PHE 37 1.590 -3.624 7.819 814 HB2 PHE 37 HB2 PHE 37 0.624 -5.522 8.764 815 HB3 PHE 37 HB1 PHE 37 -0.747 -4.461 8.480 816 HD1 PHE 37 HD1 PHE 37 -2.353 -4.961 6.692 817 HD2 PHE 37 HD2 PHE 37 0.826 -7.624 7.649 818 HE1 PHE 37 HE1 PHE 37 -3.515 -6.773 5.507 819 HE2 PHE 37 HE2 PHE 37 -0.331 -9.439 6.458 820 HZ PHE 37 HZ PHE 37 -2.506 -9.015 5.387 821 H VAL 38 HN VAL 38 3.390 -4.569 7.175 822 HA VAL 38 HA VAL 38 3.514 -5.506 4.452 823 HB VAL 38 HB VAL 38 5.438 -4.294 4.935 824 HG11 VAL 38 HG11 VAL 38 6.788 -4.546 6.972 825 HG12 VAL 38 HG12 VAL 38 5.664 -5.774 7.557 826 HG13 VAL 38 HG13 VAL 38 5.120 -4.109 7.344 827 HG21 VAL 38 HG21 VAL 38 6.309 -7.132 5.524 828 HG22 VAL 38 HG22 VAL 38 7.306 -5.838 4.854 829 HG23 VAL 38 HG23 VAL 38 5.970 -6.506 3.912 830 H ASP 39 HN ASP 39 3.837 -7.476 3.731 831 HA ASP 39 HA ASP 39 2.991 -9.631 5.441 832 HB2 ASP 39 HB2 ASP 39 2.345 -9.216 2.974 833 HB3 ASP 39 HB1 ASP 39 3.933 -9.884 2.582 834 H ARG 40 HN ARG 40 5.941 -8.696 3.718 835 HA ARG 40 HA ARG 40 7.307 -10.974 4.931 836 HB2 ARG 40 HB2 ARG 40 7.794 -10.261 2.090 837 HB3 ARG 40 HB1 ARG 40 8.124 -11.772 2.936 838 HG2 ARG 40 HG2 ARG 40 5.873 -12.365 2.979 839 HG3 ARG 40 HG1 ARG 40 5.364 -10.710 2.598 840 HD2 ARG 40 HD2 ARG 40 5.095 -11.967 0.630 841 HD3 ARG 40 HD1 ARG 40 6.537 -10.973 0.440 842 HE ARG 40 HE ARG 40 7.022 -13.657 1.402 843 HH11 ARG 40 HH11 ARG 40 6.798 -11.558 -1.409 844 HH12 ARG 40 HH12 ARG 40 7.789 -12.598 -2.396 845 HH21 ARG 40 HH21 ARG 40 8.299 -15.000 0.107 846 HH22 ARG 40 HH22 ARG 40 8.637 -14.552 -1.538 847 H ASP 41 HN ASP 41 8.653 -9.002 2.413 848 HA ASP 41 HA ASP 41 10.698 -8.073 4.285 849 HB2 ASP 41 HB2 ASP 41 11.633 -9.329 2.461 850 HB3 ASP 41 HB1 ASP 41 10.695 -8.411 1.283 851 H GLY 42 HN GLY 42 9.580 -6.810 1.199 852 HA2 GLY 42 HA2 GLY 42 9.115 -4.223 2.530 853 HA3 GLY 42 HA1 GLY 42 9.911 -4.353 0.970 854 H GLU 43 HN GLU 43 7.347 -6.552 1.518 855 HA GLU 43 HA GLU 43 5.678 -5.043 -0.339 856 HB2 GLU 43 HB2 GLU 43 4.807 -7.680 0.765 857 HB3 GLU 43 HB1 GLU 43 4.575 -7.003 -0.841 858 HG2 GLU 43 HG2 GLU 43 7.230 -7.295 -0.885 859 HG3 GLU 43 HG1 GLU 43 6.814 -8.588 0.243 860 H VAL 44 HN VAL 44 4.588 -3.503 0.722 861 HA VAL 44 HA VAL 44 3.406 -4.078 3.321 862 HB VAL 44 HB VAL 44 2.814 -1.574 1.800 863 HG11 VAL 44 HG11 VAL 44 2.864 -0.626 4.084 864 HG12 VAL 44 HG12 VAL 44 3.207 -2.240 4.713 865 HG13 VAL 44 HG13 VAL 44 1.682 -1.921 3.886 866 HG21 VAL 44 HG21 VAL 44 5.235 -1.843 1.562 867 HG22 VAL 44 HG22 VAL 44 5.388 -2.087 3.302 868 HG23 VAL 44 HG23 VAL 44 4.856 -0.528 2.673 869 H ILE 45 HN ILE 45 1.314 -4.512 3.635 870 HA ILE 45 HA ILE 45 -0.351 -4.784 1.218 871 HB ILE 45 HB ILE 45 -0.296 -6.327 3.802 872 HG12 ILE 45 HG12 ILE 45 -0.107 -8.276 2.270 873 HG13 ILE 45 HG11 ILE 45 -0.125 -7.178 0.897 874 HG21 ILE 45 HG21 ILE 45 -2.608 -5.869 3.421 875 HG22 ILE 45 HG22 ILE 45 -2.307 -7.542 2.945 876 HG23 ILE 45 HG23 ILE 45 -2.473 -6.292 1.713 877 HD11 ILE 45 HD11 ILE 45 2.111 -7.994 1.424 878 HD12 ILE 45 HD12 ILE 45 1.993 -7.258 3.023 879 HD13 ILE 45 HD13 ILE 45 1.979 -6.242 1.575 880 H LEU 46 HN LEU 46 -1.826 -3.237 1.133 881 HA LEU 46 HA LEU 46 -2.879 -2.027 3.604 882 HB2 LEU 46 HB2 LEU 46 -3.465 -0.872 0.925 883 HB3 LEU 46 HB1 LEU 46 -3.153 -0.062 2.448 884 HG LEU 46 HG LEU 46 -1.003 -1.425 0.843 885 HD11 LEU 46 HD11 LEU 46 -1.807 1.484 0.871 886 HD12 LEU 46 HD12 LEU 46 -2.072 0.359 -0.461 887 HD13 LEU 46 HD13 LEU 46 -0.430 0.790 0.015 888 HD21 LEU 46 HD21 LEU 46 0.481 -0.030 2.197 889 HD22 LEU 46 HD22 LEU 46 -0.506 -1.084 3.211 890 HD23 LEU 46 HD23 LEU 46 -0.913 0.624 3.057 891 H LYS 47 HN LYS 47 -4.871 -2.832 4.186 892 HA LYS 47 HA LYS 47 -6.689 -3.368 1.931 893 HB2 LYS 47 HB2 LYS 47 -6.757 -5.525 2.355 894 HB3 LYS 47 HB1 LYS 47 -5.597 -5.305 3.650 895 HG2 LYS 47 HG2 LYS 47 -8.501 -4.856 4.154 896 HG3 LYS 47 HG1 LYS 47 -7.840 -6.491 4.111 897 HD2 LYS 47 HD2 LYS 47 -7.024 -4.230 5.936 898 HD3 LYS 47 HD1 LYS 47 -7.841 -5.740 6.381 899 HE2 LYS 47 HE2 LYS 47 -5.599 -6.650 5.108 900 HE3 LYS 47 HE1 LYS 47 -5.003 -5.197 5.914 901 HZ1 LYS 47 HZ1 LYS 47 -4.734 -6.994 7.403 902 HZ2 LYS 47 HZ2 LYS 47 -6.309 -7.546 7.159 903 HZ3 LYS 47 HZ3 LYS 47 -6.039 -6.088 7.991 904 H LYS 48 HN LYS 48 -8.876 -3.219 2.263 905 HA LYS 48 HA LYS 48 -9.712 -0.796 3.051 906 HB2 LYS 48 HB2 LYS 48 -12.034 -1.880 3.024 907 HB3 LYS 48 HB1 LYS 48 -11.034 -1.937 1.578 908 HG2 LYS 48 HG2 LYS 48 -10.273 -4.201 2.942 909 HG3 LYS 48 HG1 LYS 48 -12.005 -4.105 3.263 910 HD2 LYS 48 HD2 LYS 48 -10.836 -3.860 0.506 911 HD3 LYS 48 HD1 LYS 48 -11.289 -5.415 1.206 912 HE2 LYS 48 HE2 LYS 48 -13.592 -4.568 1.493 913 HE3 LYS 48 HE1 LYS 48 -13.114 -3.061 0.714 914 HZ1 LYS 48 HZ1 LYS 48 -12.861 -5.719 -0.596 915 HZ2 LYS 48 HZ2 LYS 48 -12.712 -4.190 -1.312 916 HZ3 LYS 48 HZ3 LYS 48 -14.225 -4.720 -0.770 917 H TYR 49 HN TYR 49 -9.204 -3.203 5.424 918 HA TYR 49 HA TYR 49 -9.322 -3.094 7.673 919 HB2 TYR 49 HB2 TYR 49 -8.763 -0.778 7.640 920 HB3 TYR 49 HB1 TYR 49 -10.409 -0.358 7.201 921 HD1 TYR 49 HD1 TYR 49 -8.899 -2.457 9.920 922 HD2 TYR 49 HD2 TYR 49 -11.507 0.744 8.883 923 HE1 TYR 49 HE1 TYR 49 -9.479 -2.166 12.291 924 HE2 TYR 49 HE2 TYR 49 -12.090 1.041 11.250 925 HH TYR 49 HH TYR 49 -12.102 -0.269 13.323 926 H SER 50 HN SER 50 -12.236 -1.519 6.387 927 HA SER 50 HA SER 50 -13.927 -1.990 8.505 928 HB2 SER 50 HB2 SER 50 -14.340 -0.508 6.498 929 HB3 SER 50 HB1 SER 50 -14.805 -1.957 5.611 930 HG SER 50 HG SER 50 -16.249 -0.482 7.341 931 HA PRO 51 HA PRO 51 -15.039 -6.340 6.944 932 HB2 PRO 51 HB2 PRO 51 -14.304 -7.259 4.581 933 HB3 PRO 51 HB1 PRO 51 -15.660 -6.125 4.705 934 HG2 PRO 51 HG2 PRO 51 -12.803 -5.581 3.952 935 HG3 PRO 51 HG1 PRO 51 -14.290 -5.007 3.168 936 HD2 PRO 51 HD2 PRO 51 -12.833 -3.530 4.961 937 HD3 PRO 51 HD1 PRO 51 -14.575 -3.319 4.687 938 H ILE 52 HN ILE 52 -12.153 -4.999 7.232 939 HA ILE 52 HA ILE 52 -9.991 -5.588 7.566 940 HB ILE 52 HB ILE 52 -10.798 -8.397 8.220 941 HG12 ILE 52 HG12 ILE 52 -11.567 -5.971 9.864 942 HG13 ILE 52 HG11 ILE 52 -12.691 -7.016 8.994 943 HG21 ILE 52 HG21 ILE 52 -9.243 -8.101 10.041 944 HG22 ILE 52 HG22 ILE 52 -9.182 -6.362 9.770 945 HG23 ILE 52 HG23 ILE 52 -8.473 -7.458 8.590 946 HD11 ILE 52 HD11 ILE 52 -10.932 -7.837 11.297 947 HD12 ILE 52 HD12 ILE 52 -12.059 -8.882 10.432 948 HD13 ILE 52 HD13 ILE 52 -12.664 -7.518 11.370 949 H SER 53 HN SER 53 -9.024 -8.476 7.102 950 HA SER 53 HA SER 53 -8.399 -8.059 4.345 951 HB2 SER 53 HB2 SER 53 -7.769 -10.340 6.228 952 HB3 SER 53 HB1 SER 53 -7.208 -10.287 4.557 953 HG SER 53 HG SER 53 -5.907 -8.617 5.011 954 H GLU 54 HN GLU 54 -10.753 -9.577 6.094 955 HA GLU 54 HA GLU 54 -12.400 -10.478 4.068 956 HB2 GLU 54 HB2 GLU 54 -10.626 -12.149 3.618 957 HB3 GLU 54 HB1 GLU 54 -10.709 -12.683 5.290 958 HG2 GLU 54 HG2 GLU 54 -12.932 -13.520 4.973 959 HG3 GLU 54 HG1 GLU 54 -12.994 -12.846 3.343 960 H LEU 55 HN LEU 55 -11.141 -11.725 7.135 961 HA LEU 55 HA LEU 55 -12.683 -10.195 8.788 962 HB2 LEU 55 HB2 LEU 55 -14.461 -11.882 7.689 963 HB3 LEU 55 HB1 LEU 55 -13.910 -12.887 9.018 964 HG LEU 55 HG LEU 55 -15.967 -11.481 9.467 965 HD11 LEU 55 HD11 LEU 55 -15.270 -10.862 11.725 966 HD12 LEU 55 HD12 LEU 55 -13.580 -11.067 11.260 967 HD13 LEU 55 HD13 LEU 55 -14.665 -12.458 11.279 968 HD21 LEU 55 HD21 LEU 55 -13.894 -9.286 9.351 969 HD22 LEU 55 HD22 LEU 55 -15.496 -9.108 10.080 970 HD23 LEU 55 HD23 LEU 55 -15.345 -9.451 8.356 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 7.813 -12.705 11.096 2 H2 MET 1 HT2 MET 1 7.663 -11.128 11.702 3 H3 MET 1 HT3 MET 1 8.164 -11.378 10.100 4 HA MET 1 HA MET 1 6.048 -12.296 9.510 5 HB2 MET 1 HB2 MET 1 4.208 -12.382 11.050 6 HB3 MET 1 HB1 MET 1 5.563 -13.236 11.771 7 HG2 MET 1 HG2 MET 1 6.041 -11.337 13.194 8 HG3 MET 1 HG1 MET 1 4.747 -10.415 12.431 9 HE1 MET 1 HE1 MET 1 3.280 -11.084 15.990 10 HE2 MET 1 HE2 MET 1 3.665 -9.864 14.776 11 HE3 MET 1 HE3 MET 1 4.961 -10.749 15.580 12 H LYS 2 HN LYS 2 7.296 -9.525 11.020 13 HA LYS 2 HA LYS 2 6.797 -7.320 11.009 14 HB2 LYS 2 HB2 LYS 2 5.927 -8.147 8.263 15 HB3 LYS 2 HB1 LYS 2 5.883 -6.468 8.781 16 HG2 LYS 2 HG2 LYS 2 8.288 -8.251 8.520 17 HG3 LYS 2 HG1 LYS 2 7.901 -6.804 7.586 18 HD2 LYS 2 HD2 LYS 2 8.555 -6.918 10.533 19 HD3 LYS 2 HD1 LYS 2 9.612 -6.324 9.253 20 HE2 LYS 2 HE2 LYS 2 8.205 -4.461 8.835 21 HE3 LYS 2 HE1 LYS 2 6.906 -5.134 9.827 22 HZ1 LYS 2 HZ1 LYS 2 9.561 -4.255 10.848 23 HZ2 LYS 2 HZ2 LYS 2 8.284 -4.862 11.777 24 HZ3 LYS 2 HZ3 LYS 2 8.119 -3.373 10.987 25 H ALA 3 HN ALA 3 4.248 -7.250 8.923 26 HA ALA 3 HA ALA 3 2.095 -6.604 9.092 27 HB1 ALA 3 HB1 ALA 3 2.048 -8.359 11.545 28 HB2 ALA 3 HB2 ALA 3 1.827 -8.915 9.886 29 HB3 ALA 3 HB3 ALA 3 0.651 -7.821 10.612 30 H THR 4 HN THR 4 2.443 -4.450 9.450 31 HA THR 4 HA THR 4 2.802 -3.433 12.102 32 HB THR 4 HB THR 4 2.561 -1.200 10.900 33 HG1 THR 4 HG1 THR 4 1.625 -1.658 8.974 34 HG21 THR 4 HG21 THR 4 4.810 -1.335 9.962 35 HG22 THR 4 HG22 THR 4 4.728 -3.097 10.003 36 HG23 THR 4 HG23 THR 4 4.727 -2.177 11.510 37 H GLY 5 HN GLY 5 0.216 -3.637 9.788 38 HA2 GLY 5 HA2 GLY 5 -2.069 -3.489 10.046 39 HA3 GLY 5 HA1 GLY 5 -1.750 -3.866 11.740 40 H ILE 6 HN ILE 6 -0.875 -1.047 9.789 41 HA ILE 6 HA ILE 6 -2.372 0.598 11.706 42 HB ILE 6 HB ILE 6 -0.173 1.416 11.764 43 HG12 ILE 6 HG12 ILE 6 -0.240 3.628 10.652 44 HG13 ILE 6 HG11 ILE 6 -1.622 3.091 9.704 45 HG21 ILE 6 HG21 ILE 6 0.747 0.185 9.889 46 HG22 ILE 6 HG22 ILE 6 1.214 1.886 9.806 47 HG23 ILE 6 HG23 ILE 6 -0.064 1.269 8.759 48 HD11 ILE 6 HD11 ILE 6 -2.346 4.480 11.532 49 HD12 ILE 6 HD12 ILE 6 -1.529 3.430 12.693 50 HD13 ILE 6 HD13 ILE 6 -2.911 2.827 11.776 51 H VAL 7 HN VAL 7 -4.339 0.798 10.961 52 HA VAL 7 HA VAL 7 -4.935 0.852 8.155 53 HB VAL 7 HB VAL 7 -6.676 1.330 10.566 54 HG11 VAL 7 HG11 VAL 7 -7.537 2.666 8.724 55 HG12 VAL 7 HG12 VAL 7 -8.572 1.256 8.970 56 HG13 VAL 7 HG13 VAL 7 -7.419 1.284 7.629 57 HG21 VAL 7 HG21 VAL 7 -6.509 -0.932 8.579 58 HG22 VAL 7 HG22 VAL 7 -7.622 -0.832 9.943 59 HG23 VAL 7 HG23 VAL 7 -5.884 -0.957 10.228 60 H ARG 8 HN ARG 8 -5.364 2.563 6.871 61 HA ARG 8 HA ARG 8 -5.175 5.243 7.983 62 HB2 ARG 8 HB2 ARG 8 -3.055 5.229 7.091 63 HB3 ARG 8 HB1 ARG 8 -3.388 3.836 6.088 64 HG2 ARG 8 HG2 ARG 8 -2.836 5.774 4.728 65 HG3 ARG 8 HG1 ARG 8 -4.500 5.250 4.428 66 HD2 ARG 8 HD2 ARG 8 -4.360 7.672 4.569 67 HD3 ARG 8 HD1 ARG 8 -5.312 7.015 5.902 68 HE ARG 8 HE ARG 8 -2.903 7.241 7.031 69 HH11 ARG 8 HH11 ARG 8 -4.730 9.484 5.053 70 HH12 ARG 8 HH12 ARG 8 -4.109 10.892 5.862 71 HH21 ARG 8 HH21 ARG 8 -2.080 9.063 8.086 72 HH22 ARG 8 HH22 ARG 8 -2.564 10.657 7.575 73 H ARG 9 HN ARG 9 -7.120 6.123 7.423 74 HA ARG 9 HA ARG 9 -8.590 5.118 5.153 75 HB2 ARG 9 HB2 ARG 9 -9.488 6.226 7.357 76 HB3 ARG 9 HB1 ARG 9 -9.184 7.738 6.494 77 HG2 ARG 9 HG2 ARG 9 -11.204 7.526 5.623 78 HG3 ARG 9 HG1 ARG 9 -10.586 6.158 4.693 79 HD2 ARG 9 HD2 ARG 9 -12.617 5.565 5.935 80 HD3 ARG 9 HD1 ARG 9 -11.217 4.630 6.477 81 HE ARG 9 HE ARG 9 -11.144 6.540 8.271 82 HH11 ARG 9 HH11 ARG 9 -13.972 4.861 7.025 83 HH12 ARG 9 HH12 ARG 9 -14.907 5.124 8.468 84 HH21 ARG 9 HH21 ARG 9 -12.372 6.891 10.140 85 HH22 ARG 9 HH22 ARG 9 -14.004 6.296 10.231 86 H ILE 10 HN ILE 10 -7.643 5.456 3.282 87 HA ILE 10 HA ILE 10 -5.832 6.682 2.109 88 HB ILE 10 HB ILE 10 -7.479 7.684 0.264 89 HG12 ILE 10 HG12 ILE 10 -9.636 6.650 0.235 90 HG13 ILE 10 HG11 ILE 10 -9.227 5.609 1.593 91 HG21 ILE 10 HG21 ILE 10 -7.629 5.342 -0.602 92 HG22 ILE 10 HG22 ILE 10 -6.909 4.820 0.928 93 HG23 ILE 10 HG23 ILE 10 -6.014 5.894 -0.149 94 HD11 ILE 10 HD11 ILE 10 -9.923 8.511 1.597 95 HD12 ILE 10 HD12 ILE 10 -9.070 7.767 2.950 96 HD13 ILE 10 HD13 ILE 10 -10.669 7.182 2.483 97 H ASP 11 HN ASP 11 -8.146 9.012 1.193 98 HA ASP 11 HA ASP 11 -7.939 11.122 2.844 99 HB2 ASP 11 HB2 ASP 11 -6.059 12.438 2.279 100 HB3 ASP 11 HB1 ASP 11 -5.398 10.819 2.426 101 H ASP 12 HN ASP 12 -7.507 13.233 0.965 102 HA ASP 12 HA ASP 12 -10.003 13.004 -0.436 103 HB2 ASP 12 HB2 ASP 12 -7.934 15.209 -0.426 104 HB3 ASP 12 HB1 ASP 12 -9.523 15.324 -1.174 105 H LEU 13 HN LEU 13 -6.891 12.046 -1.178 106 HA LEU 13 HA LEU 13 -7.437 12.233 -4.066 107 HB2 LEU 13 HB2 LEU 13 -5.405 13.412 -3.177 108 HB3 LEU 13 HB1 LEU 13 -4.754 11.841 -2.770 109 HG LEU 13 HG LEU 13 -3.982 12.956 -4.944 110 HD11 LEU 13 HD11 LEU 13 -5.038 10.138 -5.012 111 HD12 LEU 13 HD12 LEU 13 -3.463 10.648 -4.397 112 HD13 LEU 13 HD13 LEU 13 -3.838 10.815 -6.113 113 HD21 LEU 13 HD21 LEU 13 -6.166 13.631 -5.762 114 HD22 LEU 13 HD22 LEU 13 -6.670 11.942 -5.841 115 HD23 LEU 13 HD23 LEU 13 -5.385 12.530 -6.897 116 H GLY 14 HN GLY 14 -5.727 10.098 -1.734 117 HA2 GLY 14 HA2 GLY 14 -6.864 7.780 -1.818 118 HA3 GLY 14 HA1 GLY 14 -6.386 7.846 -3.511 119 H ARG 15 HN ARG 15 -4.148 9.370 -1.426 120 HA ARG 15 HA ARG 15 -2.209 7.263 -1.865 121 HB2 ARG 15 HB2 ARG 15 -1.868 9.541 0.064 122 HB3 ARG 15 HB1 ARG 15 -0.625 8.603 -0.749 123 HG2 ARG 15 HG2 ARG 15 -0.479 10.325 -2.116 124 HG3 ARG 15 HG1 ARG 15 -1.981 9.726 -2.832 125 HD2 ARG 15 HD2 ARG 15 -3.295 11.187 -1.598 126 HD3 ARG 15 HD1 ARG 15 -1.998 11.513 -0.439 127 HE ARG 15 HE ARG 15 -1.060 12.390 -2.895 128 HH11 ARG 15 HH11 ARG 15 -3.819 13.178 -0.848 129 HH12 ARG 15 HH12 ARG 15 -3.846 14.843 -1.356 130 HH21 ARG 15 HH21 ARG 15 -1.133 14.559 -3.542 131 HH22 ARG 15 HH22 ARG 15 -2.340 15.616 -2.885 132 H VAL 16 HN VAL 16 -1.250 6.008 -0.249 133 HA VAL 16 HA VAL 16 -2.648 6.173 2.310 134 HB VAL 16 HB VAL 16 -2.794 4.003 2.432 135 HG11 VAL 16 HG11 VAL 16 -1.412 3.878 -0.225 136 HG12 VAL 16 HG12 VAL 16 -3.143 4.070 0.055 137 HG13 VAL 16 HG13 VAL 16 -2.338 2.569 0.509 138 HG21 VAL 16 HG21 VAL 16 -0.882 2.465 2.439 139 HG22 VAL 16 HG22 VAL 16 -0.644 3.871 3.476 140 HG23 VAL 16 HG23 VAL 16 0.150 3.791 1.903 141 H VAL 17 HN VAL 17 -1.666 7.267 3.700 142 HA VAL 17 HA VAL 17 0.992 8.118 3.222 143 HB VAL 17 HB VAL 17 -0.755 8.608 5.643 144 HG11 VAL 17 HG11 VAL 17 0.725 10.505 6.077 145 HG12 VAL 17 HG12 VAL 17 1.737 10.022 4.714 146 HG13 VAL 17 HG13 VAL 17 1.599 8.969 6.126 147 HG21 VAL 17 HG21 VAL 17 -1.172 10.815 4.557 148 HG22 VAL 17 HG22 VAL 17 -1.844 9.448 3.671 149 HG23 VAL 17 HG23 VAL 17 -0.356 10.213 3.112 150 H ILE 18 HN ILE 18 2.401 6.490 3.371 151 HA ILE 18 HA ILE 18 2.366 4.695 5.635 152 HB ILE 18 HB ILE 18 3.928 4.795 3.062 153 HG12 ILE 18 HG12 ILE 18 2.268 2.692 4.468 154 HG13 ILE 18 HG11 ILE 18 1.790 3.651 3.070 155 HG21 ILE 18 HG21 ILE 18 5.288 2.889 3.846 156 HG22 ILE 18 HG22 ILE 18 4.638 3.107 5.472 157 HG23 ILE 18 HG23 ILE 18 5.631 4.368 4.743 158 HD11 ILE 18 HD11 ILE 18 4.014 1.627 3.143 159 HD12 ILE 18 HD12 ILE 18 3.529 2.582 1.741 160 HD13 ILE 18 HD13 ILE 18 2.417 1.398 2.430 161 HA PRO 19 HA PRO 19 4.931 7.457 8.124 162 HB2 PRO 19 HB2 PRO 19 5.007 4.778 9.449 163 HB3 PRO 19 HB1 PRO 19 4.873 6.385 10.180 164 HG2 PRO 19 HG2 PRO 19 2.708 4.914 9.934 165 HG3 PRO 19 HG1 PRO 19 2.652 6.638 9.506 166 HD2 PRO 19 HD2 PRO 19 2.752 4.246 7.721 167 HD3 PRO 19 HD1 PRO 19 1.876 5.780 7.509 168 H LYS 20 HN LYS 20 7.097 7.678 8.286 169 HA LYS 20 HA LYS 20 8.730 6.355 6.470 170 HB2 LYS 20 HB2 LYS 20 10.643 7.436 7.663 171 HB3 LYS 20 HB1 LYS 20 9.384 8.534 7.117 172 HG2 LYS 20 HG2 LYS 20 9.416 7.473 9.920 173 HG3 LYS 20 HG1 LYS 20 10.366 8.888 9.457 174 HD2 LYS 20 HD2 LYS 20 7.409 8.617 8.991 175 HD3 LYS 20 HD1 LYS 20 8.105 9.383 10.423 176 HE2 LYS 20 HE2 LYS 20 8.603 10.249 7.574 177 HE3 LYS 20 HE1 LYS 20 7.440 11.002 8.665 178 HZ1 LYS 20 HZ1 LYS 20 9.226 11.636 10.125 179 HZ2 LYS 20 HZ2 LYS 20 9.571 12.196 8.559 180 HZ3 LYS 20 HZ3 LYS 20 10.368 10.828 9.167 181 H GLU 21 HN GLU 21 7.710 5.330 9.535 182 HA GLU 21 HA GLU 21 9.993 3.880 10.348 183 HB2 GLU 21 HB2 GLU 21 8.545 2.805 11.948 184 HB3 GLU 21 HB1 GLU 21 8.200 4.525 11.880 185 HG2 GLU 21 HG2 GLU 21 6.278 4.026 10.405 186 HG3 GLU 21 HG1 GLU 21 6.588 2.307 10.656 187 H ILE 22 HN ILE 22 7.736 3.244 7.852 188 HA ILE 22 HA ILE 22 8.156 0.361 8.019 189 HB ILE 22 HB ILE 22 6.489 1.957 6.060 190 HG12 ILE 22 HG12 ILE 22 4.757 0.370 7.415 191 HG13 ILE 22 HG11 ILE 22 5.966 0.663 8.660 192 HG21 ILE 22 HG21 ILE 22 5.592 -0.273 5.408 193 HG22 ILE 22 HG22 ILE 22 6.857 -1.019 6.387 194 HG23 ILE 22 HG23 ILE 22 7.288 -0.038 4.986 195 HD11 ILE 22 HD11 ILE 22 4.142 2.248 8.799 196 HD12 ILE 22 HD12 ILE 22 4.475 2.783 7.151 197 HD13 ILE 22 HD13 ILE 22 5.669 3.048 8.423 198 H ARG 23 HN ARG 23 8.684 3.133 5.889 199 HA ARG 23 HA ARG 23 10.456 1.935 4.071 200 HB2 ARG 23 HB2 ARG 23 9.938 4.003 3.295 201 HB3 ARG 23 HB1 ARG 23 9.777 4.678 4.912 202 HG2 ARG 23 HG2 ARG 23 12.507 4.045 4.492 203 HG3 ARG 23 HG1 ARG 23 11.922 4.948 3.096 204 HD2 ARG 23 HD2 ARG 23 11.503 6.807 4.297 205 HD3 ARG 23 HD1 ARG 23 11.108 5.907 5.763 206 HE ARG 23 HE ARG 23 13.731 5.502 5.615 207 HH11 ARG 23 HH11 ARG 23 12.006 8.493 5.002 208 HH12 ARG 23 HH12 ARG 23 13.193 9.474 5.803 209 HH21 ARG 23 HH21 ARG 23 15.288 6.812 6.664 210 HH22 ARG 23 HH22 ARG 23 15.046 8.538 6.727 211 H ARG 24 HN ARG 24 10.810 3.192 7.263 212 HA ARG 24 HA ARG 24 13.561 3.189 7.511 213 HB2 ARG 24 HB2 ARG 24 12.128 4.194 9.164 214 HB3 ARG 24 HB1 ARG 24 11.441 2.630 9.581 215 HG2 ARG 24 HG2 ARG 24 13.569 1.894 10.436 216 HG3 ARG 24 HG1 ARG 24 14.317 3.418 9.948 217 HD2 ARG 24 HD2 ARG 24 12.690 4.597 11.449 218 HD3 ARG 24 HD1 ARG 24 12.181 3.012 12.036 219 HE ARG 24 HE ARG 24 14.879 2.983 12.364 220 HH11 ARG 24 HH11 ARG 24 12.314 5.130 13.434 221 HH12 ARG 24 HH12 ARG 24 13.177 5.655 14.849 222 HH21 ARG 24 HH21 ARG 24 16.003 3.676 14.214 223 HH22 ARG 24 HH22 ARG 24 15.286 4.855 15.271 224 H THR 25 HN THR 25 11.227 0.540 8.418 225 HA THR 25 HA THR 25 13.226 -1.377 8.829 226 HB THR 25 HB THR 25 10.373 -1.834 7.905 227 HG1 THR 25 HG1 THR 25 10.228 -0.568 9.736 228 HG21 THR 25 HG21 THR 25 10.562 -3.939 9.137 229 HG22 THR 25 HG22 THR 25 12.223 -3.543 9.578 230 HG23 THR 25 HG23 THR 25 11.807 -3.834 7.890 231 H LEU 26 HN LEU 26 11.782 -0.074 5.967 232 HA LEU 26 HA LEU 26 12.579 -2.114 4.146 233 HB2 LEU 26 HB2 LEU 26 11.448 0.594 4.011 234 HB3 LEU 26 HB1 LEU 26 12.513 0.210 2.668 235 HG LEU 26 HG LEU 26 10.193 -0.248 2.092 236 HD11 LEU 26 HD11 LEU 26 10.452 -2.579 1.370 237 HD12 LEU 26 HD12 LEU 26 11.857 -2.735 2.426 238 HD13 LEU 26 HD13 LEU 26 11.895 -1.615 1.065 239 HD21 LEU 26 HD21 LEU 26 10.238 -2.254 4.344 240 HD22 LEU 26 HD22 LEU 26 8.924 -2.001 3.196 241 HD23 LEU 26 HD23 LEU 26 9.350 -0.730 4.342 242 H ARG 27 HN ARG 27 14.275 0.262 5.872 243 HA ARG 27 HA ARG 27 16.392 1.050 5.885 244 HB2 ARG 27 HB2 ARG 27 16.723 -1.339 4.107 245 HB3 ARG 27 HB1 ARG 27 18.069 -0.245 4.384 246 HG2 ARG 27 HG2 ARG 27 18.380 -1.966 5.924 247 HG3 ARG 27 HG1 ARG 27 17.660 -0.665 6.871 248 HD2 ARG 27 HD2 ARG 27 15.507 -1.727 6.792 249 HD3 ARG 27 HD1 ARG 27 16.107 -2.956 5.680 250 HE ARG 27 HE ARG 27 17.565 -2.892 8.149 251 HH11 ARG 27 HH11 ARG 27 14.623 -4.071 6.651 252 HH12 ARG 27 HH12 ARG 27 14.494 -5.451 7.694 253 HH21 ARG 27 HH21 ARG 27 17.378 -4.714 9.539 254 HH22 ARG 27 HH22 ARG 27 16.040 -5.809 9.339 255 H ILE 28 HN ILE 28 14.337 1.912 3.920 256 HA ILE 28 HA ILE 28 16.084 3.076 1.848 257 HB ILE 28 HB ILE 28 13.108 2.937 1.525 258 HG12 ILE 28 HG12 ILE 28 15.111 0.716 0.988 259 HG13 ILE 28 HG11 ILE 28 13.784 0.660 2.138 260 HG21 ILE 28 HG21 ILE 28 13.683 2.914 -0.833 261 HG22 ILE 28 HG22 ILE 28 15.390 2.685 -0.460 262 HG23 ILE 28 HG23 ILE 28 14.602 4.208 -0.065 263 HD11 ILE 28 HD11 ILE 28 12.187 0.718 0.331 264 HD12 ILE 28 HD12 ILE 28 13.321 -0.615 0.117 265 HD13 ILE 28 HD13 ILE 28 13.492 0.852 -0.846 266 H ARG 29 HN ARG 29 13.925 4.903 1.095 267 HA ARG 29 HA ARG 29 13.526 6.709 3.247 268 HB2 ARG 29 HB2 ARG 29 15.005 8.500 2.033 269 HB3 ARG 29 HB1 ARG 29 15.736 7.384 3.176 270 HG2 ARG 29 HG2 ARG 29 17.134 7.572 1.234 271 HG3 ARG 29 HG1 ARG 29 16.431 5.955 1.291 272 HD2 ARG 29 HD2 ARG 29 16.185 6.547 -0.938 273 HD3 ARG 29 HD1 ARG 29 14.608 6.941 -0.237 274 HE ARG 29 HE ARG 29 15.683 9.298 -0.045 275 HH11 ARG 29 HH11 ARG 29 16.208 7.015 -2.662 276 HH12 ARG 29 HH12 ARG 29 16.443 8.257 -3.862 277 HH21 ARG 29 HH21 ARG 29 16.013 10.923 -1.621 278 HH22 ARG 29 HH22 ARG 29 16.318 10.471 -3.270 279 H GLU 30 HN GLU 30 13.595 9.074 1.631 280 HA GLU 30 HA GLU 30 11.024 8.795 0.408 281 HB2 GLU 30 HB2 GLU 30 12.949 11.046 0.841 282 HB3 GLU 30 HB1 GLU 30 11.603 11.255 -0.277 283 HG2 GLU 30 HG2 GLU 30 10.828 12.064 1.768 284 HG3 GLU 30 HG1 GLU 30 10.112 10.463 1.577 285 H GLY 31 HN GLY 31 12.717 7.102 -0.774 286 HA2 GLY 31 HA2 GLY 31 12.407 7.865 -3.534 287 HA3 GLY 31 HA1 GLY 31 14.077 7.579 -3.043 288 H ASP 32 HN ASP 32 11.497 5.873 -1.521 289 HA ASP 32 HA ASP 32 12.420 3.327 -2.580 290 HB2 ASP 32 HB2 ASP 32 11.930 3.371 -0.232 291 HB3 ASP 32 HB1 ASP 32 10.347 4.094 -0.531 292 HA PRO 33 HA PRO 33 9.296 3.527 -5.701 293 HB2 PRO 33 HB2 PRO 33 10.389 1.239 -6.923 294 HB3 PRO 33 HB1 PRO 33 10.748 2.929 -7.328 295 HG2 PRO 33 HG2 PRO 33 12.559 1.099 -6.212 296 HG3 PRO 33 HG1 PRO 33 12.744 2.866 -6.220 297 HD2 PRO 33 HD2 PRO 33 11.763 1.070 -4.042 298 HD3 PRO 33 HD1 PRO 33 12.745 2.546 -3.931 299 H LEU 34 HN LEU 34 7.938 2.383 -3.666 300 HA LEU 34 HA LEU 34 7.642 -0.382 -3.889 301 HB2 LEU 34 HB2 LEU 34 5.208 1.141 -3.124 302 HB3 LEU 34 HB1 LEU 34 5.948 -0.245 -2.350 303 HG LEU 34 HG LEU 34 7.784 1.553 -1.695 304 HD11 LEU 34 HD11 LEU 34 6.737 3.383 -2.942 305 HD12 LEU 34 HD12 LEU 34 6.765 3.715 -1.212 306 HD13 LEU 34 HD13 LEU 34 5.269 3.192 -1.984 307 HD21 LEU 34 HD21 LEU 34 6.608 1.854 0.422 308 HD22 LEU 34 HD22 LEU 34 6.476 0.188 -0.143 309 HD23 LEU 34 HD23 LEU 34 5.112 1.291 -0.319 310 H GLU 35 HN GLU 35 5.919 -1.516 -4.525 311 HA GLU 35 HA GLU 35 4.931 -0.785 -7.207 312 HB2 GLU 35 HB2 GLU 35 6.499 -2.700 -7.276 313 HB3 GLU 35 HB1 GLU 35 5.498 -3.545 -6.104 314 HG2 GLU 35 HG2 GLU 35 3.648 -3.595 -7.707 315 HG3 GLU 35 HG1 GLU 35 4.668 -2.777 -8.895 316 H ILE 36 HN ILE 36 2.825 -0.304 -7.142 317 HA ILE 36 HA ILE 36 1.221 -1.330 -4.949 318 HB ILE 36 HB ILE 36 0.652 0.628 -7.192 319 HG12 ILE 36 HG12 ILE 36 0.315 2.206 -5.242 320 HG13 ILE 36 HG11 ILE 36 0.976 0.947 -4.209 321 HG21 ILE 36 HG21 ILE 36 -1.527 1.044 -6.182 322 HG22 ILE 36 HG22 ILE 36 -1.239 -0.251 -5.020 323 HG23 ILE 36 HG23 ILE 36 -1.379 -0.623 -6.738 324 HD11 ILE 36 HD11 ILE 36 2.406 2.316 -6.474 325 HD12 ILE 36 HD12 ILE 36 3.074 1.033 -5.466 326 HD13 ILE 36 HD13 ILE 36 2.661 2.591 -4.752 327 H PHE 37 HN PHE 37 0.570 -3.349 -5.205 328 HA PHE 37 HA PHE 37 -1.128 -3.887 -7.473 329 HB2 PHE 37 HB2 PHE 37 0.001 -5.632 -8.442 330 HB3 PHE 37 HB1 PHE 37 1.352 -4.639 -7.926 331 HD1 PHE 37 HD2 PHE 37 2.808 -5.337 -6.141 332 HD2 PHE 37 HD1 PHE 37 -0.464 -7.758 -7.374 333 HE1 PHE 37 HE2 PHE 37 3.782 -7.255 -4.948 334 HE2 PHE 37 HE1 PHE 37 0.505 -9.683 -6.187 335 HZ PHE 37 HZ PHE 37 2.629 -9.431 -4.972 336 H VAL 38 HN VAL 38 -2.905 -4.724 -6.741 337 HA VAL 38 HA VAL 38 -3.023 -5.638 -4.003 338 HB VAL 38 HB VAL 38 -4.848 -4.265 -4.597 339 HG11 VAL 38 HG11 VAL 38 -5.216 -5.971 -7.053 340 HG12 VAL 38 HG12 VAL 38 -4.635 -4.307 -7.000 341 HG13 VAL 38 HG13 VAL 38 -6.301 -4.673 -6.555 342 HG21 VAL 38 HG21 VAL 38 -5.555 -6.237 -3.321 343 HG22 VAL 38 HG22 VAL 38 -5.906 -7.080 -4.832 344 HG23 VAL 38 HG23 VAL 38 -6.835 -5.650 -4.385 345 H ASP 39 HN ASP 39 -3.488 -7.598 -3.274 346 HA ASP 39 HA ASP 39 -2.397 -9.702 -4.882 347 HB2 ASP 39 HB2 ASP 39 -2.074 -9.275 -2.348 348 HB3 ASP 39 HB1 ASP 39 -3.643 -10.076 -2.165 349 H ARG 40 HN ARG 40 -5.594 -8.895 -3.635 350 HA ARG 40 HA ARG 40 -6.741 -11.054 -5.175 351 HB2 ARG 40 HB2 ARG 40 -7.926 -11.718 -2.868 352 HB3 ARG 40 HB1 ARG 40 -6.437 -12.461 -3.431 353 HG2 ARG 40 HG2 ARG 40 -5.383 -10.413 -2.134 354 HG3 ARG 40 HG1 ARG 40 -6.878 -10.555 -1.221 355 HD2 ARG 40 HD2 ARG 40 -6.380 -12.920 -0.802 356 HD3 ARG 40 HD1 ARG 40 -4.881 -12.743 -1.717 357 HE ARG 40 HE ARG 40 -4.100 -11.233 0.017 358 HH11 ARG 40 HH11 ARG 40 -6.843 -13.248 0.764 359 HH12 ARG 40 HH12 ARG 40 -6.671 -13.084 2.485 360 HH21 ARG 40 HH21 ARG 40 -3.806 -11.058 2.277 361 HH22 ARG 40 HH22 ARG 40 -4.917 -11.865 3.349 362 H ASP 41 HN ASP 41 -7.932 -9.218 -2.324 363 HA ASP 41 HA ASP 41 -10.245 -8.476 -3.985 364 HB2 ASP 41 HB2 ASP 41 -10.763 -9.807 -1.978 365 HB3 ASP 41 HB1 ASP 41 -9.999 -8.572 -0.976 366 H GLY 42 HN GLY 42 -8.811 -7.130 -1.064 367 HA2 GLY 42 HA2 GLY 42 -8.721 -4.494 -2.380 368 HA3 GLY 42 HA1 GLY 42 -9.567 -4.684 -0.850 369 H GLU 43 HN GLU 43 -6.928 -6.728 -1.086 370 HA GLU 43 HA GLU 43 -5.349 -5.001 0.637 371 HB2 GLU 43 HB2 GLU 43 -3.843 -7.190 0.532 372 HB3 GLU 43 HB1 GLU 43 -5.194 -7.034 1.641 373 HG2 GLU 43 HG2 GLU 43 -5.548 -8.255 -1.061 374 HG3 GLU 43 HG1 GLU 43 -4.932 -9.197 0.296 375 H VAL 44 HN VAL 44 -4.168 -3.594 -0.416 376 HA VAL 44 HA VAL 44 -2.964 -4.250 -2.981 377 HB VAL 44 HB VAL 44 -2.359 -1.732 -1.482 378 HG11 VAL 44 HG11 VAL 44 -2.683 -2.395 -4.404 379 HG12 VAL 44 HG12 VAL 44 -1.168 -2.153 -3.533 380 HG13 VAL 44 HG13 VAL 44 -2.281 -0.803 -3.758 381 HG21 VAL 44 HG21 VAL 44 -4.355 -0.661 -2.475 382 HG22 VAL 44 HG22 VAL 44 -4.780 -1.911 -1.307 383 HG23 VAL 44 HG23 VAL 44 -4.905 -2.241 -3.034 384 H ILE 45 HN ILE 45 -0.861 -4.662 -3.272 385 HA ILE 45 HA ILE 45 0.785 -4.882 -0.838 386 HB ILE 45 HB ILE 45 0.747 -6.500 -3.375 387 HG12 ILE 45 HG12 ILE 45 0.503 -8.392 -1.817 388 HG13 ILE 45 HG11 ILE 45 0.598 -7.287 -0.452 389 HG21 ILE 45 HG21 ILE 45 3.074 -5.980 -2.919 390 HG22 ILE 45 HG22 ILE 45 2.755 -7.674 -2.542 391 HG23 ILE 45 HG23 ILE 45 2.884 -6.492 -1.239 392 HD11 ILE 45 HD11 ILE 45 -1.584 -7.282 -2.507 393 HD12 ILE 45 HD12 ILE 45 -1.506 -6.335 -1.015 394 HD13 ILE 45 HD13 ILE 45 -1.665 -8.093 -0.942 395 H LEU 46 HN LEU 46 2.287 -3.391 -0.765 396 HA LEU 46 HA LEU 46 3.259 -2.085 -3.206 397 HB2 LEU 46 HB2 LEU 46 3.862 -1.145 -0.419 398 HB3 LEU 46 HB1 LEU 46 3.736 -0.207 -1.899 399 HG LEU 46 HG LEU 46 1.392 -1.516 -0.543 400 HD11 LEU 46 HD11 LEU 46 2.407 1.320 -0.387 401 HD12 LEU 46 HD12 LEU 46 2.383 0.141 0.925 402 HD13 LEU 46 HD13 LEU 46 0.869 0.749 0.258 403 HD21 LEU 46 HD21 LEU 46 1.584 0.586 -2.703 404 HD22 LEU 46 HD22 LEU 46 0.094 0.020 -1.950 405 HD23 LEU 46 HD23 LEU 46 1.069 -1.087 -2.916 406 H LYS 47 HN LYS 47 5.141 -2.615 -3.927 407 HA LYS 47 HA LYS 47 7.013 -4.091 -2.177 408 HB2 LYS 47 HB2 LYS 47 6.033 -5.630 -3.598 409 HB3 LYS 47 HB1 LYS 47 5.919 -4.477 -4.912 410 HG2 LYS 47 HG2 LYS 47 8.520 -4.656 -4.906 411 HG3 LYS 47 HG1 LYS 47 8.192 -6.198 -4.103 412 HD2 LYS 47 HD2 LYS 47 7.098 -5.265 -6.750 413 HD3 LYS 47 HD1 LYS 47 8.281 -6.559 -6.493 414 HE2 LYS 47 HE2 LYS 47 6.599 -7.846 -5.274 415 HE3 LYS 47 HE1 LYS 47 5.430 -6.540 -5.482 416 HZ1 LYS 47 HZ1 LYS 47 5.432 -6.887 -7.837 417 HZ2 LYS 47 HZ2 LYS 47 5.174 -8.389 -7.088 418 HZ3 LYS 47 HZ3 LYS 47 6.690 -8.020 -7.730 419 H LYS 48 HN LYS 48 9.085 -3.397 -2.136 420 HA LYS 48 HA LYS 48 9.912 -0.904 -2.773 421 HB2 LYS 48 HB2 LYS 48 12.280 -2.016 -2.745 422 HB3 LYS 48 HB1 LYS 48 11.275 -1.948 -1.298 423 HG2 LYS 48 HG2 LYS 48 10.441 -4.276 -2.410 424 HG3 LYS 48 HG1 LYS 48 12.135 -4.245 -2.904 425 HD2 LYS 48 HD2 LYS 48 11.226 -3.799 -0.076 426 HD3 LYS 48 HD1 LYS 48 11.675 -5.386 -0.708 427 HE2 LYS 48 HE2 LYS 48 13.897 -4.391 -1.323 428 HE3 LYS 48 HE1 LYS 48 13.418 -2.942 -0.442 429 HZ1 LYS 48 HZ1 LYS 48 13.464 -5.638 0.799 430 HZ2 LYS 48 HZ2 LYS 48 13.343 -4.139 1.582 431 HZ3 LYS 48 HZ3 LYS 48 14.793 -4.588 0.832 432 H TYR 49 HN TYR 49 9.603 -3.325 -5.123 433 HA TYR 49 HA TYR 49 9.750 -3.317 -7.347 434 HB2 TYR 49 HB2 TYR 49 8.948 -1.112 -7.484 435 HB3 TYR 49 HB1 TYR 49 10.493 -0.460 -6.955 436 HD1 TYR 49 HD2 TYR 49 9.311 -2.731 -9.701 437 HD2 TYR 49 HD1 TYR 49 11.695 0.617 -8.587 438 HE1 TYR 49 HE2 TYR 49 10.021 -2.463 -12.038 439 HE2 TYR 49 HE1 TYR 49 12.412 0.888 -10.923 440 HH TYR 49 HH TYR 49 10.884 -0.646 -13.510 441 H SER 50 HN SER 50 12.477 -1.424 -6.106 442 HA SER 50 HA SER 50 14.210 -1.811 -8.216 443 HB2 SER 50 HB2 SER 50 14.664 -1.158 -5.316 444 HB3 SER 50 HB1 SER 50 16.009 -1.257 -6.462 445 HG SER 50 HG SER 50 13.795 0.503 -6.443 446 HA PRO 51 HA PRO 51 15.659 -5.965 -6.505 447 HB2 PRO 51 HB2 PRO 51 14.966 -6.876 -4.130 448 HB3 PRO 51 HB1 PRO 51 16.221 -5.635 -4.264 449 HG2 PRO 51 HG2 PRO 51 13.350 -5.359 -3.468 450 HG3 PRO 51 HG1 PRO 51 14.777 -4.535 -2.814 451 HD2 PRO 51 HD2 PRO 51 13.003 -3.495 -4.705 452 HD3 PRO 51 HD1 PRO 51 14.625 -2.870 -4.353 453 H ILE 52 HN ILE 52 12.701 -4.924 -6.984 454 HA ILE 52 HA ILE 52 10.560 -5.679 -7.176 455 HB ILE 52 HB ILE 52 11.457 -8.479 -7.642 456 HG12 ILE 52 HG12 ILE 52 12.257 -6.168 -9.426 457 HG13 ILE 52 HG11 ILE 52 13.347 -7.206 -8.504 458 HG21 ILE 52 HG21 ILE 52 9.935 -8.317 -9.523 459 HG22 ILE 52 HG22 ILE 52 9.797 -6.575 -9.302 460 HG23 ILE 52 HG23 ILE 52 9.137 -7.668 -8.090 461 HD11 ILE 52 HD11 ILE 52 13.315 -7.804 -10.860 462 HD12 ILE 52 HD12 ILE 52 11.574 -8.076 -10.779 463 HD13 ILE 52 HD13 ILE 52 12.673 -9.112 -9.868 464 H SER 53 HN SER 53 9.899 -8.597 -6.549 465 HA SER 53 HA SER 53 10.169 -8.368 -3.656 466 HB2 SER 53 HB2 SER 53 8.109 -9.641 -5.391 467 HB3 SER 53 HB1 SER 53 8.421 -10.364 -3.811 468 HG SER 53 HG SER 53 7.761 -8.534 -2.815 469 H GLU 54 HN GLU 54 11.840 -9.460 -2.907 470 HA GLU 54 HA GLU 54 13.139 -11.195 -2.286 471 HB2 GLU 54 HB2 GLU 54 11.346 -12.819 -4.077 472 HB3 GLU 54 HB1 GLU 54 12.545 -13.489 -2.979 473 HG2 GLU 54 HG2 GLU 54 11.365 -12.626 -1.079 474 HG3 GLU 54 HG1 GLU 54 10.228 -11.775 -2.124 475 H LEU 55 HN LEU 55 12.589 -10.754 -5.702 476 HA LEU 55 HA LEU 55 13.925 -10.808 -7.523 477 HB2 LEU 55 HB2 LEU 55 15.427 -9.561 -5.754 478 HB3 LEU 55 HB1 LEU 55 16.384 -11.025 -5.829 479 HG LEU 55 HG LEU 55 17.248 -9.237 -7.296 480 HD11 LEU 55 HD11 LEU 55 16.206 -11.635 -8.793 481 HD12 LEU 55 HD12 LEU 55 17.717 -11.546 -7.887 482 HD13 LEU 55 HD13 LEU 55 17.497 -10.563 -9.335 483 HD21 LEU 55 HD21 LEU 55 16.003 -8.657 -9.340 484 HD22 LEU 55 HD22 LEU 55 15.176 -8.139 -7.871 485 HD23 LEU 55 HD23 LEU 55 14.621 -9.571 -8.735 486 H1 MET 1 HT1 MET 1 -6.740 -13.520 -10.662 487 H2 MET 1 HT2 MET 1 -6.593 -11.932 -11.231 488 H3 MET 1 HT3 MET 1 -7.370 -12.232 -9.755 489 HA MET 1 HA MET 1 -5.335 -12.991 -8.767 490 HB2 MET 1 HB2 MET 1 -3.231 -12.892 -9.970 491 HB3 MET 1 HB1 MET 1 -4.357 -13.908 -10.859 492 HG2 MET 1 HG2 MET 1 -4.811 -12.099 -12.406 493 HG3 MET 1 HG1 MET 1 -3.755 -11.029 -11.491 494 HE1 MET 1 HE1 MET 1 -3.501 -11.446 -14.618 495 HE2 MET 1 HE2 MET 1 -1.751 -11.579 -14.790 496 HE3 MET 1 HE3 MET 1 -2.439 -10.395 -13.680 497 H LYS 2 HN LYS 2 -6.507 -10.328 -10.499 498 HA LYS 2 HA LYS 2 -6.218 -8.093 -10.422 499 HB2 LYS 2 HB2 LYS 2 -5.283 -8.775 -7.645 500 HB3 LYS 2 HB1 LYS 2 -5.421 -7.122 -8.224 501 HG2 LYS 2 HG2 LYS 2 -7.652 -9.125 -7.972 502 HG3 LYS 2 HG1 LYS 2 -7.376 -7.709 -6.954 503 HD2 LYS 2 HD2 LYS 2 -8.066 -7.721 -9.893 504 HD3 LYS 2 HD1 LYS 2 -9.116 -7.223 -8.566 505 HE2 LYS 2 HE2 LYS 2 -7.588 -5.384 -8.047 506 HE3 LYS 2 HE1 LYS 2 -6.522 -5.895 -9.357 507 HZ1 LYS 2 HZ1 LYS 2 -8.313 -5.451 -10.930 508 HZ2 LYS 2 HZ2 LYS 2 -7.931 -4.054 -10.041 509 HZ3 LYS 2 HZ3 LYS 2 -9.321 -4.945 -9.669 510 H ALA 3 HN ALA 3 -3.710 -7.759 -8.340 511 HA ALA 3 HA ALA 3 -1.580 -7.055 -8.523 512 HB1 ALA 3 HB1 ALA 3 -1.454 -9.019 -10.807 513 HB2 ALA 3 HB2 ALA 3 -1.194 -9.399 -9.104 514 HB3 ALA 3 HB3 ALA 3 -0.073 -8.332 -9.951 515 H THR 4 HN THR 4 -1.894 -4.950 -9.049 516 HA THR 4 HA THR 4 -2.296 -4.168 -11.781 517 HB THR 4 HB THR 4 -2.195 -1.840 -10.750 518 HG1 THR 4 HG1 THR 4 -1.250 -2.154 -8.784 519 HG21 THR 4 HG21 THR 4 -4.463 -2.028 -9.878 520 HG22 THR 4 HG22 THR 4 -4.278 -3.776 -9.737 521 HG23 THR 4 HG23 THR 4 -4.285 -3.014 -11.330 522 H GLY 5 HN GLY 5 0.251 -4.078 -9.417 523 HA2 GLY 5 HA2 GLY 5 2.519 -3.839 -9.624 524 HA3 GLY 5 HA1 GLY 5 2.301 -4.330 -11.295 525 H ILE 6 HN ILE 6 1.241 -1.447 -9.523 526 HA ILE 6 HA ILE 6 2.689 0.152 -11.515 527 HB ILE 6 HB ILE 6 0.486 0.893 -11.655 528 HG12 ILE 6 HG12 ILE 6 0.424 3.152 -10.622 529 HG13 ILE 6 HG11 ILE 6 1.800 2.704 -9.617 530 HG21 ILE 6 HG21 ILE 6 -0.454 -0.311 -9.790 531 HG22 ILE 6 HG22 ILE 6 -0.972 1.373 -9.744 532 HG23 ILE 6 HG23 ILE 6 0.293 0.810 -8.652 533 HD11 ILE 6 HD11 ILE 6 2.516 4.057 -11.476 534 HD12 ILE 6 HD12 ILE 6 1.786 2.927 -12.620 535 HD13 ILE 6 HD13 ILE 6 3.161 2.423 -11.634 536 H VAL 7 HN VAL 7 4.627 0.522 -10.792 537 HA VAL 7 HA VAL 7 5.257 0.719 -7.995 538 HB VAL 7 HB VAL 7 6.893 1.055 -10.495 539 HG11 VAL 7 HG11 VAL 7 7.723 2.678 -8.856 540 HG12 VAL 7 HG12 VAL 7 8.866 1.350 -9.086 541 HG13 VAL 7 HG13 VAL 7 7.841 1.395 -7.651 542 HG21 VAL 7 HG21 VAL 7 6.970 -0.930 -8.224 543 HG22 VAL 7 HG22 VAL 7 8.019 -0.942 -9.640 544 HG23 VAL 7 HG23 VAL 7 6.283 -1.213 -9.824 545 H ARG 8 HN ARG 8 5.546 2.523 -6.771 546 HA ARG 8 HA ARG 8 5.427 5.131 -8.053 547 HB2 ARG 8 HB2 ARG 8 3.302 5.329 -7.236 548 HB3 ARG 8 HB1 ARG 8 3.477 3.934 -6.197 549 HG2 ARG 8 HG2 ARG 8 2.975 5.973 -4.915 550 HG3 ARG 8 HG1 ARG 8 4.544 5.288 -4.474 551 HD2 ARG 8 HD2 ARG 8 4.692 7.690 -4.619 552 HD3 ARG 8 HD1 ARG 8 5.648 6.934 -5.902 553 HE ARG 8 HE ARG 8 3.450 7.436 -7.254 554 HH11 ARG 8 HH11 ARG 8 5.040 9.459 -4.870 555 HH12 ARG 8 HH12 ARG 8 4.599 10.943 -5.660 556 HH21 ARG 8 HH21 ARG 8 2.892 9.415 -8.301 557 HH22 ARG 8 HH22 ARG 8 3.390 10.924 -7.590 558 H ARG 9 HN ARG 9 7.298 6.115 -7.450 559 HA ARG 9 HA ARG 9 8.715 5.197 -5.116 560 HB2 ARG 9 HB2 ARG 9 9.836 6.092 -7.202 561 HB3 ARG 9 HB1 ARG 9 9.268 7.691 -6.713 562 HG2 ARG 9 HG2 ARG 9 10.613 7.751 -4.856 563 HG3 ARG 9 HG1 ARG 9 10.880 6.006 -4.859 564 HD2 ARG 9 HD2 ARG 9 12.881 7.000 -5.644 565 HD3 ARG 9 HD1 ARG 9 12.067 6.318 -7.053 566 HE ARG 9 HE ARG 9 11.273 8.985 -6.816 567 HH11 ARG 9 HH11 ARG 9 14.177 7.139 -7.468 568 HH12 ARG 9 HH12 ARG 9 14.898 8.385 -8.451 569 HH21 ARG 9 HH21 ARG 9 12.193 10.603 -8.115 570 HH22 ARG 9 HH22 ARG 9 13.748 10.348 -8.847 571 H ILE 10 HN ILE 10 7.826 5.605 -3.264 572 HA ILE 10 HA ILE 10 5.919 6.818 -2.196 573 HB ILE 10 HB ILE 10 7.534 7.936 -0.368 574 HG12 ILE 10 HG12 ILE 10 9.676 6.836 -0.243 575 HG13 ILE 10 HG11 ILE 10 9.279 5.788 -1.603 576 HG21 ILE 10 HG21 ILE 10 6.117 6.248 0.271 577 HG22 ILE 10 HG22 ILE 10 7.697 5.496 0.496 578 HG23 ILE 10 HG23 ILE 10 6.731 5.124 -0.938 579 HD11 ILE 10 HD11 ILE 10 10.033 8.674 -1.611 580 HD12 ILE 10 HD12 ILE 10 9.156 7.956 -2.964 581 HD13 ILE 10 HD13 ILE 10 10.738 7.326 -2.503 582 H ASP 11 HN ASP 11 8.234 9.209 -1.405 583 HA ASP 11 HA ASP 11 8.102 11.199 -3.173 584 HB2 ASP 11 HB2 ASP 11 6.275 12.655 -2.654 585 HB3 ASP 11 HB1 ASP 11 5.584 11.078 -2.970 586 H ASP 12 HN ASP 12 7.476 13.403 -1.380 587 HA ASP 12 HA ASP 12 9.855 13.159 0.275 588 HB2 ASP 12 HB2 ASP 12 8.197 15.444 -0.693 589 HB3 ASP 12 HB1 ASP 12 9.193 15.664 0.744 590 H LEU 13 HN LEU 13 7.177 11.863 0.887 591 HA LEU 13 HA LEU 13 7.223 12.677 3.704 592 HB2 LEU 13 HB2 LEU 13 5.249 13.648 2.401 593 HB3 LEU 13 HB1 LEU 13 4.656 12.003 2.300 594 HG LEU 13 HG LEU 13 3.684 13.430 4.138 595 HD11 LEU 13 HD11 LEU 13 3.815 11.622 5.842 596 HD12 LEU 13 HD12 LEU 13 5.031 10.831 4.834 597 HD13 LEU 13 HD13 LEU 13 3.391 11.061 4.225 598 HD21 LEU 13 HD21 LEU 13 5.038 13.637 6.188 599 HD22 LEU 13 HD22 LEU 13 5.676 14.579 4.839 600 HD23 LEU 13 HD23 LEU 13 6.437 13.052 5.285 601 H GLY 14 HN GLY 14 5.895 10.291 1.404 602 HA2 GLY 14 HA2 GLY 14 6.887 7.995 1.781 603 HA3 GLY 14 HA1 GLY 14 6.371 8.221 3.452 604 H ARG 15 HN ARG 15 4.202 9.626 1.264 605 HA ARG 15 HA ARG 15 2.199 7.621 1.774 606 HB2 ARG 15 HB2 ARG 15 2.039 9.724 -0.373 607 HB3 ARG 15 HB1 ARG 15 0.718 8.893 0.428 608 HG2 ARG 15 HG2 ARG 15 0.537 10.624 1.767 609 HG3 ARG 15 HG1 ARG 15 2.120 10.211 2.443 610 HD2 ARG 15 HD2 ARG 15 3.247 11.655 1.022 611 HD3 ARG 15 HD1 ARG 15 1.899 11.725 -0.121 612 HE ARG 15 HE ARG 15 0.853 12.849 2.110 613 HH11 ARG 15 HH11 ARG 15 3.796 13.486 0.294 614 HH12 ARG 15 HH12 ARG 15 3.867 15.158 0.780 615 HH21 ARG 15 HH21 ARG 15 0.966 15.040 2.732 616 HH22 ARG 15 HH22 ARG 15 2.261 16.039 2.141 617 H VAL 16 HN VAL 16 1.314 6.219 0.329 618 HA VAL 16 HA VAL 16 2.718 5.969 -2.229 619 HB VAL 16 HB VAL 16 2.921 3.868 -1.354 620 HG11 VAL 16 HG11 VAL 16 0.206 4.184 -0.124 621 HG12 VAL 16 HG12 VAL 16 1.768 4.167 0.705 622 HG13 VAL 16 HG13 VAL 16 1.159 2.702 -0.067 623 HG21 VAL 16 HG21 VAL 16 1.791 3.720 -3.504 624 HG22 VAL 16 HG22 VAL 16 0.232 3.718 -2.682 625 HG23 VAL 16 HG23 VAL 16 1.353 2.376 -2.451 626 H VAL 17 HN VAL 17 1.747 7.071 -3.676 627 HA VAL 17 HA VAL 17 -0.930 7.955 -3.303 628 HB VAL 17 HB VAL 17 0.803 8.284 -5.755 629 HG11 VAL 17 HG11 VAL 17 -0.638 10.265 -6.152 630 HG12 VAL 17 HG12 VAL 17 -1.655 9.747 -4.803 631 HG13 VAL 17 HG13 VAL 17 -1.505 8.729 -6.239 632 HG21 VAL 17 HG21 VAL 17 1.294 10.545 -4.779 633 HG22 VAL 17 HG22 VAL 17 2.011 9.191 -3.909 634 HG23 VAL 17 HG23 VAL 17 0.570 9.986 -3.268 635 H ILE 18 HN ILE 18 -2.312 6.277 -3.379 636 HA ILE 18 HA ILE 18 -2.234 4.421 -5.593 637 HB ILE 18 HB ILE 18 -3.809 4.546 -3.035 638 HG12 ILE 18 HG12 ILE 18 -2.046 2.482 -4.364 639 HG13 ILE 18 HG11 ILE 18 -1.641 3.485 -2.976 640 HG21 ILE 18 HG21 ILE 18 -4.460 2.805 -5.416 641 HG22 ILE 18 HG22 ILE 18 -5.499 4.022 -4.670 642 HG23 ILE 18 HG23 ILE 18 -5.084 2.554 -3.784 643 HD11 ILE 18 HD11 ILE 18 -3.772 1.362 -3.045 644 HD12 ILE 18 HD12 ILE 18 -3.336 2.352 -1.652 645 HD13 ILE 18 HD13 ILE 18 -2.172 1.206 -2.318 646 HA PRO 19 HA PRO 19 -4.884 6.995 -8.155 647 HB2 PRO 19 HB2 PRO 19 -4.888 4.281 -9.401 648 HB3 PRO 19 HB1 PRO 19 -4.783 5.871 -10.173 649 HG2 PRO 19 HG2 PRO 19 -2.591 4.439 -9.877 650 HG3 PRO 19 HG1 PRO 19 -2.568 6.177 -9.507 651 HD2 PRO 19 HD2 PRO 19 -2.631 3.847 -7.639 652 HD3 PRO 19 HD1 PRO 19 -1.780 5.402 -7.481 653 H LYS 20 HN LYS 20 -7.060 7.120 -8.387 654 HA LYS 20 HA LYS 20 -8.672 5.798 -6.551 655 HB2 LYS 20 HB2 LYS 20 -10.610 6.737 -7.840 656 HB3 LYS 20 HB1 LYS 20 -9.428 7.905 -7.271 657 HG2 LYS 20 HG2 LYS 20 -9.263 6.807 -10.049 658 HG3 LYS 20 HG1 LYS 20 -10.361 8.137 -9.661 659 HD2 LYS 20 HD2 LYS 20 -7.401 8.111 -9.097 660 HD3 LYS 20 HD1 LYS 20 -8.142 8.894 -10.500 661 HE2 LYS 20 HE2 LYS 20 -8.585 9.572 -7.589 662 HE3 LYS 20 HE1 LYS 20 -7.704 10.540 -8.768 663 HZ1 LYS 20 HZ1 LYS 20 -9.742 10.905 -9.976 664 HZ2 LYS 20 HZ2 LYS 20 -9.961 11.360 -8.356 665 HZ3 LYS 20 HZ3 LYS 20 -10.601 9.897 -8.918 666 H GLU 21 HN GLU 21 -7.562 4.693 -9.569 667 HA GLU 21 HA GLU 21 -9.749 3.094 -10.348 668 HB2 GLU 21 HB2 GLU 21 -8.108 1.883 -11.741 669 HB3 GLU 21 HB1 GLU 21 -8.017 3.629 -11.923 670 HG2 GLU 21 HG2 GLU 21 -6.112 3.634 -10.337 671 HG3 GLU 21 HG1 GLU 21 -6.160 1.871 -10.348 672 H ILE 22 HN ILE 22 -7.528 2.674 -7.762 673 HA ILE 22 HA ILE 22 -7.870 -0.227 -7.715 674 HB ILE 22 HB ILE 22 -6.317 1.595 -5.857 675 HG12 ILE 22 HG12 ILE 22 -4.448 0.013 -6.914 676 HG13 ILE 22 HG11 ILE 22 -5.621 -0.064 -8.225 677 HG21 ILE 22 HG21 ILE 22 -5.429 -0.470 -4.868 678 HG22 ILE 22 HG22 ILE 22 -6.521 -1.416 -5.875 679 HG23 ILE 22 HG23 ILE 22 -7.173 -0.334 -4.645 680 HD11 ILE 22 HD11 ILE 22 -3.955 1.649 -8.629 681 HD12 ILE 22 HD12 ILE 22 -4.399 2.448 -7.120 682 HD13 ILE 22 HD13 ILE 22 -5.563 2.353 -8.442 683 H ARG 23 HN ARG 23 -8.440 2.625 -5.680 684 HA ARG 23 HA ARG 23 -10.277 1.550 -3.873 685 HB2 ARG 23 HB2 ARG 23 -9.762 3.673 -3.234 686 HB3 ARG 23 HB1 ARG 23 -9.547 4.228 -4.883 687 HG2 ARG 23 HG2 ARG 23 -12.279 3.768 -3.729 688 HG3 ARG 23 HG1 ARG 23 -11.407 5.280 -3.484 689 HD2 ARG 23 HD2 ARG 23 -11.247 5.578 -5.903 690 HD3 ARG 23 HD1 ARG 23 -12.066 4.042 -6.132 691 HE ARG 23 HE ARG 23 -14.056 5.057 -5.164 692 HH11 ARG 23 HH11 ARG 23 -11.541 7.298 -6.121 693 HH12 ARG 23 HH12 ARG 23 -12.650 8.571 -6.516 694 HH21 ARG 23 HH21 ARG 23 -15.519 6.711 -5.733 695 HH22 ARG 23 HH22 ARG 23 -14.911 8.222 -6.338 696 H ARG 24 HN ARG 24 -10.589 2.531 -7.178 697 HA ARG 24 HA ARG 24 -13.350 2.448 -7.474 698 HB2 ARG 24 HB2 ARG 24 -12.227 3.420 -9.255 699 HB3 ARG 24 HB1 ARG 24 -11.032 2.138 -9.335 700 HG2 ARG 24 HG2 ARG 24 -12.681 0.642 -10.306 701 HG3 ARG 24 HG1 ARG 24 -13.903 1.913 -10.201 702 HD2 ARG 24 HD2 ARG 24 -12.856 3.225 -11.824 703 HD3 ARG 24 HD1 ARG 24 -11.321 2.373 -11.657 704 HE ARG 24 HE ARG 24 -13.323 0.591 -12.568 705 HH11 ARG 24 HH11 ARG 24 -11.479 3.352 -13.706 706 HH12 ARG 24 HH12 ARG 24 -11.399 2.787 -15.346 707 HH21 ARG 24 HH21 ARG 24 -13.213 -0.163 -14.728 708 HH22 ARG 24 HH22 ARG 24 -12.405 0.806 -15.927 709 H THR 25 HN THR 25 -10.939 -0.219 -8.216 710 HA THR 25 HA THR 25 -12.908 -2.171 -8.534 711 HB THR 25 HB THR 25 -10.068 -2.479 -7.527 712 HG1 THR 25 HG1 THR 25 -11.191 -2.083 -10.076 713 HG21 THR 25 HG21 THR 25 -11.409 -4.499 -7.199 714 HG22 THR 25 HG22 THR 25 -10.219 -4.739 -8.480 715 HG23 THR 25 HG23 THR 25 -11.910 -4.450 -8.890 716 H LEU 26 HN LEU 26 -11.422 -0.784 -5.707 717 HA LEU 26 HA LEU 26 -12.278 -2.659 -3.782 718 HB2 LEU 26 HB2 LEU 26 -11.182 0.056 -3.826 719 HB3 LEU 26 HB1 LEU 26 -12.263 -0.235 -2.474 720 HG LEU 26 HG LEU 26 -10.028 -0.668 -1.744 721 HD11 LEU 26 HD11 LEU 26 -10.201 -2.988 -1.034 722 HD12 LEU 26 HD12 LEU 26 -11.459 -3.271 -2.238 723 HD13 LEU 26 HD13 LEU 26 -11.752 -2.159 -0.899 724 HD21 LEU 26 HD21 LEU 26 -9.797 -2.620 -4.035 725 HD22 LEU 26 HD22 LEU 26 -8.582 -2.321 -2.792 726 HD23 LEU 26 HD23 LEU 26 -9.002 -1.049 -3.939 727 H ARG 27 HN ARG 27 -14.027 -0.404 -5.647 728 HA ARG 27 HA ARG 27 -16.166 0.327 -5.700 729 HB2 ARG 27 HB2 ARG 27 -16.402 -1.954 -3.807 730 HB3 ARG 27 HB1 ARG 27 -17.756 -0.848 -3.953 731 HG2 ARG 27 HG2 ARG 27 -18.222 -2.616 -5.421 732 HG3 ARG 27 HG1 ARG 27 -17.665 -1.294 -6.446 733 HD2 ARG 27 HD2 ARG 27 -15.472 -2.302 -6.618 734 HD3 ARG 27 HD1 ARG 27 -15.942 -3.579 -5.495 735 HE ARG 27 HE ARG 27 -17.721 -3.535 -7.692 736 HH11 ARG 27 HH11 ARG 27 -14.424 -4.419 -6.877 737 HH12 ARG 27 HH12 ARG 27 -14.326 -5.653 -8.098 738 HH21 ARG 27 HH21 ARG 27 -17.572 -5.155 -9.311 739 HH22 ARG 27 HH22 ARG 27 -16.100 -6.067 -9.478 740 H ILE 28 HN ILE 28 -14.077 1.249 -3.703 741 HA ILE 28 HA ILE 28 -15.833 2.530 -1.713 742 HB ILE 28 HB ILE 28 -12.840 2.277 -1.473 743 HG12 ILE 28 HG12 ILE 28 -14.984 0.320 -0.574 744 HG13 ILE 28 HG11 ILE 28 -13.818 0.036 -1.858 745 HG21 ILE 28 HG21 ILE 28 -13.969 3.833 0.059 746 HG22 ILE 28 HG22 ILE 28 -13.381 2.423 0.944 747 HG23 ILE 28 HG23 ILE 28 -15.093 2.565 0.544 748 HD11 ILE 28 HD11 ILE 28 -13.192 -1.123 0.156 749 HD12 ILE 28 HD12 ILE 28 -13.200 0.393 1.057 750 HD13 ILE 28 HD13 ILE 28 -12.015 0.135 -0.223 751 H ARG 29 HN ARG 29 -13.920 4.530 -0.978 752 HA ARG 29 HA ARG 29 -13.303 6.095 -3.288 753 HB2 ARG 29 HB2 ARG 29 -14.822 8.013 -2.485 754 HB3 ARG 29 HB1 ARG 29 -15.555 6.697 -3.390 755 HG2 ARG 29 HG2 ARG 29 -16.990 7.230 -1.575 756 HG3 ARG 29 HG1 ARG 29 -16.229 5.679 -1.216 757 HD2 ARG 29 HD2 ARG 29 -16.090 6.851 0.797 758 HD3 ARG 29 HD1 ARG 29 -14.489 7.042 0.060 759 HE ARG 29 HE ARG 29 -15.468 9.265 -0.776 760 HH11 ARG 29 HH11 ARG 29 -16.274 7.774 2.306 761 HH12 ARG 29 HH12 ARG 29 -16.681 9.284 3.068 762 HH21 ARG 29 HH21 ARG 29 -16.008 11.245 0.227 763 HH22 ARG 29 HH22 ARG 29 -16.549 11.252 1.880 764 H GLU 30 HN GLU 30 -13.454 8.636 -1.851 765 HA GLU 30 HA GLU 30 -10.933 8.527 -0.529 766 HB2 GLU 30 HB2 GLU 30 -12.996 10.675 -0.908 767 HB3 GLU 30 HB1 GLU 30 -11.594 10.938 0.123 768 HG2 GLU 30 HG2 GLU 30 -10.900 11.783 -1.889 769 HG3 GLU 30 HG1 GLU 30 -10.235 10.153 -1.900 770 H GLY 31 HN GLY 31 -12.693 6.784 0.711 771 HA2 GLY 31 HA2 GLY 31 -12.319 7.661 3.436 772 HA3 GLY 31 HA1 GLY 31 -13.987 7.335 2.980 773 H ASP 32 HN ASP 32 -11.232 5.620 1.672 774 HA ASP 32 HA ASP 32 -12.236 3.140 2.838 775 HB2 ASP 32 HB2 ASP 32 -11.740 3.022 0.484 776 HB3 ASP 32 HB1 ASP 32 -10.103 3.638 0.762 777 HA PRO 33 HA PRO 33 -9.047 3.348 5.908 778 HB2 PRO 33 HB2 PRO 33 -10.075 1.046 7.132 779 HB3 PRO 33 HB1 PRO 33 -10.410 2.730 7.589 780 HG2 PRO 33 HG2 PRO 33 -12.259 0.917 6.514 781 HG3 PRO 33 HG1 PRO 33 -12.467 2.673 6.622 782 HD2 PRO 33 HD2 PRO 33 -11.678 0.997 4.269 783 HD3 PRO 33 HD1 PRO 33 -12.583 2.529 4.332 784 H LEU 34 HN LEU 34 -7.562 2.397 4.077 785 HA LEU 34 HA LEU 34 -7.323 -0.409 4.132 786 HB2 LEU 34 HB2 LEU 34 -5.006 1.373 3.387 787 HB3 LEU 34 HB1 LEU 34 -5.378 -0.230 2.794 788 HG LEU 34 HG LEU 34 -7.485 0.965 1.776 789 HD11 LEU 34 HD11 LEU 34 -5.636 3.204 2.458 790 HD12 LEU 34 HD12 LEU 34 -7.401 3.138 2.510 791 HD13 LEU 34 HD13 LEU 34 -6.570 3.271 0.964 792 HD21 LEU 34 HD21 LEU 34 -6.221 1.346 -0.278 793 HD22 LEU 34 HD22 LEU 34 -5.746 -0.166 0.498 794 HD23 LEU 34 HD23 LEU 34 -4.713 1.257 0.630 795 H GLU 35 HN GLU 35 -5.718 -1.635 4.910 796 HA GLU 35 HA GLU 35 -4.651 -0.720 7.503 797 HB2 GLU 35 HB2 GLU 35 -6.208 -2.620 7.717 798 HB3 GLU 35 HB1 GLU 35 -5.205 -3.547 6.616 799 HG2 GLU 35 HG2 GLU 35 -3.352 -3.415 8.213 800 HG3 GLU 35 HG1 GLU 35 -4.407 -2.553 9.336 801 H ILE 36 HN ILE 36 -2.579 -0.165 7.320 802 HA ILE 36 HA ILE 36 -0.986 -1.292 5.175 803 HB ILE 36 HB ILE 36 -0.504 0.880 7.236 804 HG12 ILE 36 HG12 ILE 36 -0.228 2.293 5.162 805 HG13 ILE 36 HG11 ILE 36 -0.804 0.916 4.234 806 HG21 ILE 36 HG21 ILE 36 1.656 1.314 6.205 807 HG22 ILE 36 HG22 ILE 36 1.448 -0.091 5.160 808 HG23 ILE 36 HG23 ILE 36 1.591 -0.303 6.905 809 HD11 ILE 36 HD11 ILE 36 -2.348 2.356 6.375 810 HD12 ILE 36 HD12 ILE 36 -2.930 1.004 5.403 811 HD13 ILE 36 HD13 ILE 36 -2.562 2.549 4.635 812 H PHE 37 HN PHE 37 -0.171 -3.213 5.565 813 HA PHE 37 HA PHE 37 1.588 -3.478 7.834 814 HB2 PHE 37 HB2 PHE 37 0.669 -5.378 8.837 815 HB3 PHE 37 HB1 PHE 37 -0.723 -4.347 8.537 816 HD1 PHE 37 HD2 PHE 37 -2.350 -4.920 6.810 817 HD2 PHE 37 HD1 PHE 37 0.910 -7.497 7.740 818 HE1 PHE 37 HE2 PHE 37 -3.492 -6.775 5.671 819 HE2 PHE 37 HE1 PHE 37 -0.231 -9.357 6.605 820 HZ PHE 37 HZ PHE 37 -2.436 -8.997 5.567 821 H VAL 38 HN VAL 38 3.404 -4.298 7.162 822 HA VAL 38 HA VAL 38 3.547 -5.321 4.479 823 HB VAL 38 HB VAL 38 5.355 -3.907 4.966 824 HG11 VAL 38 HG11 VAL 38 5.799 -5.449 7.516 825 HG12 VAL 38 HG12 VAL 38 5.129 -3.823 7.379 826 HG13 VAL 38 HG13 VAL 38 6.809 -4.126 6.932 827 HG21 VAL 38 HG21 VAL 38 7.363 -5.295 4.839 828 HG22 VAL 38 HG22 VAL 38 6.086 -5.943 3.807 829 HG23 VAL 38 HG23 VAL 38 6.435 -6.701 5.361 830 H ASP 39 HN ASP 39 3.969 -7.275 3.823 831 HA ASP 39 HA ASP 39 3.021 -9.384 5.463 832 HB2 ASP 39 HB2 ASP 39 2.728 -9.134 2.945 833 HB3 ASP 39 HB1 ASP 39 4.412 -9.652 2.799 834 H ARG 40 HN ARG 40 6.209 -8.763 3.977 835 HA ARG 40 HA ARG 40 7.374 -10.463 6.037 836 HB2 ARG 40 HB2 ARG 40 8.842 -11.443 4.130 837 HB3 ARG 40 HB1 ARG 40 7.244 -12.106 4.453 838 HG2 ARG 40 HG2 ARG 40 6.762 -10.098 2.623 839 HG3 ARG 40 HG1 ARG 40 8.285 -10.814 2.080 840 HD2 ARG 40 HD2 ARG 40 7.190 -13.066 2.314 841 HD3 ARG 40 HD1 ARG 40 5.672 -12.210 2.581 842 HE ARG 40 HE ARG 40 5.783 -11.404 0.330 843 HH11 ARG 40 HH11 ARG 40 8.120 -13.862 1.165 844 HH12 ARG 40 HH12 ARG 40 8.482 -14.266 -0.483 845 HH21 ARG 40 HH21 ARG 40 6.214 -11.954 -1.838 846 HH22 ARG 40 HH22 ARG 40 7.400 -13.180 -2.195 847 H ASP 41 HN ASP 41 8.589 -8.865 3.069 848 HA ASP 41 HA ASP 41 10.822 -7.889 4.711 849 HB2 ASP 41 HB2 ASP 41 11.559 -9.343 2.950 850 HB3 ASP 41 HB1 ASP 41 10.615 -8.448 1.756 851 H GLY 42 HN GLY 42 9.242 -6.875 1.702 852 HA2 GLY 42 HA2 GLY 42 9.146 -4.129 2.764 853 HA3 GLY 42 HA1 GLY 42 10.020 -4.425 1.267 854 H GLU 43 HN GLU 43 7.432 -6.508 1.630 855 HA GLU 43 HA GLU 43 5.837 -4.958 -0.231 856 HB2 GLU 43 HB2 GLU 43 4.395 -7.219 0.112 857 HB3 GLU 43 HB1 GLU 43 5.672 -7.041 -1.096 858 HG2 GLU 43 HG2 GLU 43 6.242 -8.070 1.649 859 HG3 GLU 43 HG1 GLU 43 5.640 -9.133 0.375 860 H VAL 44 HN VAL 44 4.654 -3.468 0.765 861 HA VAL 44 HA VAL 44 3.465 -4.016 3.364 862 HB VAL 44 HB VAL 44 2.788 -1.571 1.795 863 HG11 VAL 44 HG11 VAL 44 3.293 -2.125 4.716 864 HG12 VAL 44 HG12 VAL 44 1.728 -1.919 3.930 865 HG13 VAL 44 HG13 VAL 44 2.843 -0.558 4.040 866 HG21 VAL 44 HG21 VAL 44 5.207 -1.775 1.492 867 HG22 VAL 44 HG22 VAL 44 5.420 -1.971 3.232 868 HG23 VAL 44 HG23 VAL 44 4.826 -0.443 2.583 869 H ILE 45 HN ILE 45 1.380 -4.502 3.694 870 HA ILE 45 HA ILE 45 -0.279 -4.838 1.285 871 HB ILE 45 HB ILE 45 -0.169 -6.345 3.880 872 HG12 ILE 45 HG12 ILE 45 -0.003 -8.303 2.362 873 HG13 ILE 45 HG11 ILE 45 -0.108 -7.224 0.977 874 HG21 ILE 45 HG21 ILE 45 -2.505 -5.881 3.529 875 HG22 ILE 45 HG22 ILE 45 -2.186 -7.575 3.147 876 HG23 ILE 45 HG23 ILE 45 -2.393 -6.404 1.845 877 HD11 ILE 45 HD11 ILE 45 2.120 -7.238 2.987 878 HD12 ILE 45 HD12 ILE 45 2.016 -6.260 1.521 879 HD13 ILE 45 HD13 ILE 45 2.155 -8.015 1.405 880 H LEU 46 HN LEU 46 -1.816 -3.336 1.170 881 HA LEU 46 HA LEU 46 -2.882 -2.092 3.627 882 HB2 LEU 46 HB2 LEU 46 -3.499 -0.957 0.954 883 HB3 LEU 46 HB1 LEU 46 -3.105 -0.139 2.456 884 HG LEU 46 HG LEU 46 -1.042 -1.627 0.878 885 HD11 LEU 46 HD11 LEU 46 -1.798 1.286 0.649 886 HD12 LEU 46 HD12 LEU 46 -2.078 0.048 -0.575 887 HD13 LEU 46 HD13 LEU 46 -0.430 0.504 -0.146 888 HD21 LEU 46 HD21 LEU 46 -0.876 0.597 2.908 889 HD22 LEU 46 HD22 LEU 46 0.491 -0.147 2.077 890 HD23 LEU 46 HD23 LEU 46 -0.494 -1.100 3.188 891 H LYS 47 HN LYS 47 -4.852 -2.885 4.217 892 HA LYS 47 HA LYS 47 -6.671 -3.561 2.005 893 HB2 LYS 47 HB2 LYS 47 -6.504 -5.703 2.495 894 HB3 LYS 47 HB1 LYS 47 -5.514 -5.355 3.899 895 HG2 LYS 47 HG2 LYS 47 -8.474 -5.093 4.088 896 HG3 LYS 47 HG1 LYS 47 -7.724 -6.690 4.133 897 HD2 LYS 47 HD2 LYS 47 -7.212 -4.372 5.994 898 HD3 LYS 47 HD1 LYS 47 -7.993 -5.924 6.381 899 HE2 LYS 47 HE2 LYS 47 -5.586 -6.721 5.348 900 HE3 LYS 47 HE1 LYS 47 -5.147 -5.226 6.174 901 HZ1 LYS 47 HZ1 LYS 47 -6.263 -6.120 8.180 902 HZ2 LYS 47 HZ2 LYS 47 -4.923 -7.031 7.698 903 HZ3 LYS 47 HZ3 LYS 47 -6.485 -7.600 7.371 904 H LYS 48 HN LYS 48 -8.824 -3.332 2.283 905 HA LYS 48 HA LYS 48 -9.658 -0.908 3.062 906 HB2 LYS 48 HB2 LYS 48 -11.990 -1.971 3.020 907 HB3 LYS 48 HB1 LYS 48 -10.980 -2.012 1.581 908 HG2 LYS 48 HG2 LYS 48 -10.222 -4.301 2.853 909 HG3 LYS 48 HG1 LYS 48 -11.929 -4.201 3.275 910 HD2 LYS 48 HD2 LYS 48 -10.950 -3.893 0.460 911 HD3 LYS 48 HD1 LYS 48 -11.318 -5.476 1.156 912 HE2 LYS 48 HE2 LYS 48 -13.592 -4.533 1.732 913 HE3 LYS 48 HE1 LYS 48 -13.181 -3.157 0.709 914 HZ1 LYS 48 HZ1 LYS 48 -13.206 -4.446 -1.188 915 HZ2 LYS 48 HZ2 LYS 48 -14.461 -5.148 -0.290 916 HZ3 LYS 48 HZ3 LYS 48 -12.938 -5.900 -0.354 917 H TYR 49 HN TYR 49 -9.227 -3.314 5.420 918 HA TYR 49 HA TYR 49 -9.380 -3.286 7.645 919 HB2 TYR 49 HB2 TYR 49 -8.811 -0.863 7.516 920 HB3 TYR 49 HB1 TYR 49 -10.543 -0.534 7.568 921 HD1 TYR 49 HD2 TYR 49 -8.884 -3.271 9.380 922 HD2 TYR 49 HD1 TYR 49 -10.632 0.596 9.704 923 HE1 TYR 49 HE2 TYR 49 -8.841 -3.468 11.823 924 HE2 TYR 49 HE1 TYR 49 -10.594 0.405 12.159 925 HH TYR 49 HH TYR 49 -8.904 -2.184 13.764 926 H SER 50 HN SER 50 -12.256 -1.672 6.287 927 HA SER 50 HA SER 50 -13.979 -2.034 8.410 928 HB2 SER 50 HB2 SER 50 -14.473 -0.599 6.458 929 HB3 SER 50 HB1 SER 50 -14.723 -2.039 5.475 930 HG SER 50 HG SER 50 -16.242 -1.213 7.736 931 HA PRO 51 HA PRO 51 -15.115 -6.440 7.000 932 HB2 PRO 51 HB2 PRO 51 -14.271 -7.462 4.710 933 HB3 PRO 51 HB1 PRO 51 -15.656 -6.357 4.731 934 HG2 PRO 51 HG2 PRO 51 -12.788 -5.788 4.043 935 HG3 PRO 51 HG1 PRO 51 -14.260 -5.279 3.191 936 HD2 PRO 51 HD2 PRO 51 -12.890 -3.687 4.941 937 HD3 PRO 51 HD1 PRO 51 -14.630 -3.533 4.625 938 H ILE 52 HN ILE 52 -12.294 -5.063 7.380 939 HA ILE 52 HA ILE 52 -10.098 -5.574 7.657 940 HB ILE 52 HB ILE 52 -10.768 -8.355 8.469 941 HG12 ILE 52 HG12 ILE 52 -11.711 -5.904 9.962 942 HG13 ILE 52 HG11 ILE 52 -12.739 -7.117 9.200 943 HG21 ILE 52 HG21 ILE 52 -9.241 -6.152 9.857 944 HG22 ILE 52 HG22 ILE 52 -8.514 -7.318 8.754 945 HG23 ILE 52 HG23 ILE 52 -9.234 -7.866 10.269 946 HD11 ILE 52 HD11 ILE 52 -12.640 -7.415 11.610 947 HD12 ILE 52 HD12 ILE 52 -10.887 -7.588 11.528 948 HD13 ILE 52 HD13 ILE 52 -11.927 -8.793 10.771 949 H SER 53 HN SER 53 -9.265 -8.520 7.448 950 HA SER 53 HA SER 53 -9.303 -8.637 4.549 951 HB2 SER 53 HB2 SER 53 -7.438 -10.490 5.315 952 HB3 SER 53 HB1 SER 53 -7.077 -8.808 4.927 953 HG SER 53 HG SER 53 -7.147 -10.097 7.392 954 H GLU 54 HN GLU 54 -10.605 -10.126 3.678 955 HA GLU 54 HA GLU 54 -11.910 -11.947 3.326 956 HB2 GLU 54 HB2 GLU 54 -10.197 -12.908 5.537 957 HB3 GLU 54 HB1 GLU 54 -11.685 -13.796 5.248 958 HG2 GLU 54 HG2 GLU 54 -9.907 -14.863 4.069 959 HG3 GLU 54 HG1 GLU 54 -10.978 -14.104 2.895 960 H LEU 55 HN LEU 55 -11.780 -11.402 6.839 961 HA LEU 55 HA LEU 55 -13.366 -11.254 8.448 962 HB2 LEU 55 HB2 LEU 55 -14.193 -9.449 6.739 963 HB3 LEU 55 HB1 LEU 55 -15.457 -10.609 6.393 964 HG LEU 55 HG LEU 55 -16.142 -8.847 7.998 965 HD11 LEU 55 HD11 LEU 55 -17.308 -10.962 8.048 966 HD12 LEU 55 HD12 LEU 55 -17.134 -10.329 9.684 967 HD13 LEU 55 HD13 LEU 55 -16.091 -11.639 9.129 968 HD21 LEU 55 HD21 LEU 55 -15.266 -8.857 10.265 969 HD22 LEU 55 HD22 LEU 55 -13.984 -8.534 9.097 970 HD23 LEU 55 HD23 LEU 55 -14.125 -10.131 9.831 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 11.362 -6.448 11.605 2 H2 MET 1 HT2 MET 1 11.486 -7.386 10.198 3 H3 MET 1 HT3 MET 1 12.029 -8.008 11.677 4 HA MET 1 HA MET 1 9.949 -9.004 11.144 5 HB2 MET 1 HB2 MET 1 9.739 -6.912 13.320 6 HB3 MET 1 HB1 MET 1 8.590 -8.228 13.107 7 HG2 MET 1 HG2 MET 1 10.414 -9.842 13.450 8 HG3 MET 1 HG1 MET 1 11.525 -8.502 13.719 9 HE1 MET 1 HE1 MET 1 10.167 -6.940 17.031 10 HE2 MET 1 HE2 MET 1 9.814 -6.452 15.372 11 HE3 MET 1 HE3 MET 1 11.455 -6.906 15.828 12 H LYS 2 HN LYS 2 7.723 -8.811 10.610 13 HA LYS 2 HA LYS 2 7.102 -6.238 9.325 14 HB2 LYS 2 HB2 LYS 2 6.704 -7.203 7.302 15 HB3 LYS 2 HB1 LYS 2 7.878 -8.359 7.903 16 HG2 LYS 2 HG2 LYS 2 4.891 -8.673 7.958 17 HG3 LYS 2 HG1 LYS 2 5.999 -9.447 6.831 18 HD2 LYS 2 HD2 LYS 2 6.834 -10.886 8.449 19 HD3 LYS 2 HD1 LYS 2 6.310 -9.847 9.780 20 HE2 LYS 2 HE2 LYS 2 3.998 -10.362 9.328 21 HE3 LYS 2 HE1 LYS 2 4.455 -11.320 7.917 22 HZ1 LYS 2 HZ1 LYS 2 3.953 -12.671 9.885 23 HZ2 LYS 2 HZ2 LYS 2 5.254 -11.957 10.709 24 HZ3 LYS 2 HZ3 LYS 2 5.536 -12.904 9.330 25 H ALA 3 HN ALA 3 4.565 -6.840 8.365 26 HA ALA 3 HA ALA 3 2.410 -6.627 8.976 27 HB1 ALA 3 HB1 ALA 3 2.637 -8.983 9.631 28 HB2 ALA 3 HB2 ALA 3 1.468 -8.105 10.619 29 HB3 ALA 3 HB3 ALA 3 3.070 -8.469 11.262 30 H THR 4 HN THR 4 1.685 -4.784 9.661 31 HA THR 4 HA THR 4 2.582 -3.789 12.258 32 HB THR 4 HB THR 4 2.622 -1.505 11.221 33 HG1 THR 4 HG1 THR 4 1.522 -1.728 9.316 34 HG21 THR 4 HG21 THR 4 4.806 -1.824 10.151 35 HG22 THR 4 HG22 THR 4 4.504 -3.560 10.043 36 HG23 THR 4 HG23 THR 4 4.682 -2.791 11.624 37 H GLY 5 HN GLY 5 0.066 -3.718 9.814 38 HA2 GLY 5 HA2 GLY 5 -2.223 -3.576 10.055 39 HA3 GLY 5 HA1 GLY 5 -1.947 -3.885 11.768 40 H ILE 6 HN ILE 6 -0.916 -1.155 9.745 41 HA ILE 6 HA ILE 6 -2.326 0.604 11.631 42 HB ILE 6 HB ILE 6 -0.103 1.306 11.689 43 HG12 ILE 6 HG12 ILE 6 -0.015 3.491 10.538 44 HG13 ILE 6 HG11 ILE 6 -1.397 3.019 9.557 45 HG21 ILE 6 HG21 ILE 6 1.332 1.641 9.737 46 HG22 ILE 6 HG22 ILE 6 0.037 1.049 8.695 47 HG23 ILE 6 HG23 ILE 6 0.777 -0.028 9.880 48 HD11 ILE 6 HD11 ILE 6 -1.373 3.431 12.538 49 HD12 ILE 6 HD12 ILE 6 -2.758 2.870 11.600 50 HD13 ILE 6 HD13 ILE 6 -2.103 4.484 11.324 51 H VAL 7 HN VAL 7 -4.278 0.980 10.905 52 HA VAL 7 HA VAL 7 -4.911 1.016 8.106 53 HB VAL 7 HB VAL 7 -6.580 1.630 10.531 54 HG11 VAL 7 HG11 VAL 7 -7.403 3.004 8.705 55 HG12 VAL 7 HG12 VAL 7 -8.507 1.654 8.976 56 HG13 VAL 7 HG13 VAL 7 -7.384 1.615 7.612 57 HG21 VAL 7 HG21 VAL 7 -6.547 -0.654 8.565 58 HG22 VAL 7 HG22 VAL 7 -7.687 -0.469 9.896 59 HG23 VAL 7 HG23 VAL 7 -5.969 -0.702 10.231 60 H ARG 8 HN ARG 8 -5.090 2.687 6.757 61 HA ARG 8 HA ARG 8 -4.926 5.395 7.806 62 HB2 ARG 8 HB2 ARG 8 -2.784 5.318 6.906 63 HB3 ARG 8 HB1 ARG 8 -3.188 4.023 5.791 64 HG2 ARG 8 HG2 ARG 8 -2.648 6.120 4.617 65 HG3 ARG 8 HG1 ARG 8 -4.311 5.601 4.308 66 HD2 ARG 8 HD2 ARG 8 -4.118 8.024 4.715 67 HD3 ARG 8 HD1 ARG 8 -5.147 7.207 5.895 68 HE ARG 8 HE ARG 8 -2.802 7.226 7.174 69 HH11 ARG 8 HH11 ARG 8 -4.494 9.770 5.466 70 HH12 ARG 8 HH12 ARG 8 -3.851 11.043 6.461 71 HH21 ARG 8 HH21 ARG 8 -1.954 8.877 8.477 72 HH22 ARG 8 HH22 ARG 8 -2.383 10.537 8.172 73 H ARG 9 HN ARG 9 -6.891 6.187 7.278 74 HA ARG 9 HA ARG 9 -8.348 5.172 5.013 75 HB2 ARG 9 HB2 ARG 9 -9.310 6.154 7.184 76 HB3 ARG 9 HB1 ARG 9 -8.912 7.728 6.496 77 HG2 ARG 9 HG2 ARG 9 -10.684 7.711 5.177 78 HG3 ARG 9 HG1 ARG 9 -10.408 6.036 4.672 79 HD2 ARG 9 HD2 ARG 9 -12.537 6.359 5.912 80 HD3 ARG 9 HD1 ARG 9 -11.431 5.208 6.676 81 HE ARG 9 HE ARG 9 -10.769 7.220 8.111 82 HH11 ARG 9 HH11 ARG 9 -13.998 6.804 6.798 83 HH12 ARG 9 HH12 ARG 9 -14.770 7.641 8.109 84 HH21 ARG 9 HH21 ARG 9 -11.775 8.307 9.821 85 HH22 ARG 9 HH22 ARG 9 -13.503 8.511 9.836 86 H ILE 10 HN ILE 10 -7.417 5.531 3.148 87 HA ILE 10 HA ILE 10 -5.578 6.792 2.036 88 HB ILE 10 HB ILE 10 -7.249 7.762 0.167 89 HG12 ILE 10 HG12 ILE 10 -9.326 6.526 0.089 90 HG13 ILE 10 HG11 ILE 10 -8.870 5.583 1.507 91 HG21 ILE 10 HG21 ILE 10 -7.209 5.443 -0.761 92 HG22 ILE 10 HG22 ILE 10 -6.490 4.928 0.770 93 HG23 ILE 10 HG23 ILE 10 -5.649 6.091 -0.255 94 HD11 ILE 10 HD11 ILE 10 -9.700 8.448 1.371 95 HD12 ILE 10 HD12 ILE 10 -8.898 7.758 2.782 96 HD13 ILE 10 HD13 ILE 10 -10.453 7.117 2.247 97 H ASP 11 HN ASP 11 -7.966 9.063 1.110 98 HA ASP 11 HA ASP 11 -7.890 11.108 2.835 99 HB2 ASP 11 HB2 ASP 11 -6.101 12.585 2.301 100 HB3 ASP 11 HB1 ASP 11 -5.357 11.021 2.554 101 H ASP 12 HN ASP 12 -7.409 13.290 1.023 102 HA ASP 12 HA ASP 12 -9.878 13.117 -0.425 103 HB2 ASP 12 HB2 ASP 12 -9.221 15.215 0.624 104 HB3 ASP 12 HB1 ASP 12 -7.765 15.281 -0.363 105 H LEU 13 HN LEU 13 -6.616 12.420 -1.133 106 HA LEU 13 HA LEU 13 -7.110 12.557 -4.021 107 HB2 LEU 13 HB2 LEU 13 -5.086 13.659 -2.970 108 HB3 LEU 13 HB1 LEU 13 -4.483 12.051 -2.637 109 HG LEU 13 HG LEU 13 -3.534 13.196 -4.671 110 HD11 LEU 13 HD11 LEU 13 -4.911 10.555 -5.109 111 HD12 LEU 13 HD12 LEU 13 -3.335 10.794 -4.353 112 HD13 LEU 13 HD13 LEU 13 -3.568 11.194 -6.056 113 HD21 LEU 13 HD21 LEU 13 -6.286 12.638 -5.762 114 HD22 LEU 13 HD22 LEU 13 -4.890 13.145 -6.713 115 HD23 LEU 13 HD23 LEU 13 -5.566 14.225 -5.493 116 H GLY 14 HN GLY 14 -5.542 10.306 -1.679 117 HA2 GLY 14 HA2 GLY 14 -6.720 8.018 -1.860 118 HA3 GLY 14 HA1 GLY 14 -6.214 8.128 -3.543 119 H ARG 15 HN ARG 15 -4.006 9.463 -1.225 120 HA ARG 15 HA ARG 15 -2.136 7.303 -1.776 121 HB2 ARG 15 HB2 ARG 15 -1.694 9.440 0.281 122 HB3 ARG 15 HB1 ARG 15 -0.496 8.468 -0.552 123 HG2 ARG 15 HG2 ARG 15 -0.185 10.393 -1.643 124 HG3 ARG 15 HG1 ARG 15 -1.511 9.770 -2.635 125 HD2 ARG 15 HD2 ARG 15 -3.077 11.122 -1.623 126 HD3 ARG 15 HD1 ARG 15 -2.069 11.358 -0.182 127 HE ARG 15 HE ARG 15 -0.764 12.438 -2.451 128 HH11 ARG 15 HH11 ARG 15 -3.571 13.156 -0.453 129 HH12 ARG 15 HH12 ARG 15 -3.368 14.872 -0.613 130 HH21 ARG 15 HH21 ARG 15 -0.540 14.667 -2.657 131 HH22 ARG 15 HH22 ARG 15 -1.683 15.732 -1.896 132 H VAL 16 HN VAL 16 -1.184 6.004 -0.268 133 HA VAL 16 HA VAL 16 -2.576 5.983 2.295 134 HB VAL 16 HB VAL 16 -1.815 3.780 2.684 135 HG11 VAL 16 HG11 VAL 16 -2.960 3.981 -0.076 136 HG12 VAL 16 HG12 VAL 16 -3.862 3.968 1.439 137 HG13 VAL 16 HG13 VAL 16 -2.972 2.533 0.931 138 HG21 VAL 16 HG21 VAL 16 -0.568 2.461 1.006 139 HG22 VAL 16 HG22 VAL 16 0.365 3.780 1.719 140 HG23 VAL 16 HG23 VAL 16 -0.314 3.952 0.097 141 H VAL 17 HN VAL 17 -1.605 7.149 3.691 142 HA VAL 17 HA VAL 17 1.049 8.055 3.233 143 HB VAL 17 HB VAL 17 -0.678 8.418 5.689 144 HG11 VAL 17 HG11 VAL 17 1.819 9.856 4.789 145 HG12 VAL 17 HG12 VAL 17 1.667 8.782 6.185 146 HG13 VAL 17 HG13 VAL 17 0.813 10.328 6.161 147 HG21 VAL 17 HG21 VAL 17 -0.288 10.167 3.255 148 HG22 VAL 17 HG22 VAL 17 -1.144 10.653 4.719 149 HG23 VAL 17 HG23 VAL 17 -1.767 9.333 3.730 150 H ILE 18 HN ILE 18 2.444 6.373 3.285 151 HA ILE 18 HA ILE 18 2.448 4.536 5.495 152 HB ILE 18 HB ILE 18 4.140 4.779 3.016 153 HG12 ILE 18 HG12 ILE 18 2.322 2.671 4.197 154 HG13 ILE 18 HG11 ILE 18 2.059 3.627 2.742 155 HG21 ILE 18 HG21 ILE 18 4.696 2.991 5.391 156 HG22 ILE 18 HG22 ILE 18 5.730 4.280 4.776 157 HG23 ILE 18 HG23 ILE 18 5.453 2.834 3.805 158 HD11 ILE 18 HD11 ILE 18 2.689 1.359 2.189 159 HD12 ILE 18 HD12 ILE 18 4.175 1.524 3.124 160 HD13 ILE 18 HD13 ILE 18 3.937 2.490 1.668 161 HA PRO 19 HA PRO 19 4.850 7.318 8.084 162 HB2 PRO 19 HB2 PRO 19 4.883 4.673 9.467 163 HB3 PRO 19 HB1 PRO 19 4.661 6.290 10.150 164 HG2 PRO 19 HG2 PRO 19 2.556 4.759 9.810 165 HG3 PRO 19 HG1 PRO 19 2.479 6.463 9.303 166 HD2 PRO 19 HD2 PRO 19 2.849 4.006 7.637 167 HD3 PRO 19 HD1 PRO 19 1.864 5.455 7.311 168 H LYS 20 HN LYS 20 7.010 7.437 8.625 169 HA LYS 20 HA LYS 20 8.742 6.251 6.790 170 HB2 LYS 20 HB2 LYS 20 10.578 7.190 8.215 171 HB3 LYS 20 HB1 LYS 20 9.397 8.348 7.622 172 HG2 LYS 20 HG2 LYS 20 9.037 7.134 10.321 173 HG3 LYS 20 HG1 LYS 20 10.200 8.445 10.096 174 HD2 LYS 20 HD2 LYS 20 7.340 8.614 9.183 175 HD3 LYS 20 HD1 LYS 20 7.859 9.124 10.796 176 HE2 LYS 20 HE2 LYS 20 9.497 10.661 9.714 177 HE3 LYS 20 HE1 LYS 20 8.816 10.216 8.151 178 HZ1 LYS 20 HZ1 LYS 20 7.909 12.299 8.991 179 HZ2 LYS 20 HZ2 LYS 20 7.315 11.508 10.367 180 HZ3 LYS 20 HZ3 LYS 20 6.692 11.127 8.838 181 H GLU 21 HN GLU 21 7.709 5.186 9.937 182 HA GLU 21 HA GLU 21 9.868 3.624 10.692 183 HB2 GLU 21 HB2 GLU 21 8.001 2.130 11.763 184 HB3 GLU 21 HB1 GLU 21 8.320 3.749 12.365 185 HG2 GLU 21 HG2 GLU 21 6.315 3.527 10.230 186 HG3 GLU 21 HG1 GLU 21 5.883 2.823 11.789 187 H ILE 22 HN ILE 22 7.754 3.030 8.012 188 HA ILE 22 HA ILE 22 8.297 0.155 8.103 189 HB ILE 22 HB ILE 22 6.583 1.685 6.128 190 HG12 ILE 22 HG12 ILE 22 4.843 0.127 7.486 191 HG13 ILE 22 HG11 ILE 22 6.028 0.427 8.753 192 HG21 ILE 22 HG21 ILE 22 6.914 -1.283 6.576 193 HG22 ILE 22 HG22 ILE 22 7.495 -0.368 5.183 194 HG23 ILE 22 HG23 ILE 22 5.761 -0.535 5.468 195 HD11 ILE 22 HD11 ILE 22 4.586 2.552 7.196 196 HD12 ILE 22 HD12 ILE 22 5.731 2.810 8.514 197 HD13 ILE 22 HD13 ILE 22 4.187 2.018 8.828 198 H ARG 23 HN ARG 23 8.636 2.993 6.034 199 HA ARG 23 HA ARG 23 10.371 1.923 4.100 200 HB2 ARG 23 HB2 ARG 23 9.604 3.911 3.348 201 HB3 ARG 23 HB1 ARG 23 9.406 4.551 4.966 202 HG2 ARG 23 HG2 ARG 23 12.132 4.351 3.767 203 HG3 ARG 23 HG1 ARG 23 11.054 5.667 3.311 204 HD2 ARG 23 HD2 ARG 23 10.835 5.699 6.019 205 HD3 ARG 23 HD1 ARG 23 12.504 5.184 5.804 206 HE ARG 23 HE ARG 23 11.502 7.614 4.464 207 HH11 ARG 23 HH11 ARG 23 13.730 6.047 6.662 208 HH12 ARG 23 HH12 ARG 23 14.711 7.460 6.888 209 HH21 ARG 23 HH21 ARG 23 12.769 9.476 4.760 210 HH22 ARG 23 HH22 ARG 23 14.177 9.412 5.785 211 H ARG 24 HN ARG 24 10.855 3.220 7.238 212 HA ARG 24 HA ARG 24 13.615 3.373 7.364 213 HB2 ARG 24 HB2 ARG 24 12.191 4.376 9.007 214 HB3 ARG 24 HB1 ARG 24 11.534 2.818 9.472 215 HG2 ARG 24 HG2 ARG 24 13.710 2.182 10.368 216 HG3 ARG 24 HG1 ARG 24 14.353 3.765 9.912 217 HD2 ARG 24 HD2 ARG 24 12.666 4.845 11.336 218 HD3 ARG 24 HD1 ARG 24 12.065 3.259 11.813 219 HE ARG 24 HE ARG 24 14.839 3.487 12.355 220 HH11 ARG 24 HH11 ARG 24 11.720 4.587 13.504 221 HH12 ARG 24 HH12 ARG 24 12.220 4.718 15.164 222 HH21 ARG 24 HH21 ARG 24 15.521 3.664 14.538 223 HH22 ARG 24 HH22 ARG 24 14.387 4.192 15.751 224 H THR 25 HN THR 25 11.449 0.652 8.457 225 HA THR 25 HA THR 25 13.547 -1.137 8.945 226 HB THR 25 HB THR 25 10.715 -1.776 8.074 227 HG1 THR 25 HG1 THR 25 10.415 -0.540 9.847 228 HG21 THR 25 HG21 THR 25 11.019 -3.812 9.398 229 HG22 THR 25 HG22 THR 25 12.669 -3.325 9.788 230 HG23 THR 25 HG23 THR 25 12.234 -3.711 8.123 231 H LEU 26 HN LEU 26 11.874 -0.180 6.049 232 HA LEU 26 HA LEU 26 12.737 -2.206 4.288 233 HB2 LEU 26 HB2 LEU 26 11.463 0.409 4.129 234 HB3 LEU 26 HB1 LEU 26 12.565 0.137 2.786 235 HG LEU 26 HG LEU 26 10.413 -0.543 2.061 236 HD11 LEU 26 HD11 LEU 26 12.233 -1.998 1.382 237 HD12 LEU 26 HD12 LEU 26 10.735 -2.908 1.582 238 HD13 LEU 26 HD13 LEU 26 11.992 -2.996 2.817 239 HD21 LEU 26 HD21 LEU 26 9.300 -0.772 4.194 240 HD22 LEU 26 HD22 LEU 26 10.262 -2.199 4.584 241 HD23 LEU 26 HD23 LEU 26 9.094 -2.254 3.261 242 H ARG 27 HN ARG 27 14.457 0.282 5.850 243 HA ARG 27 HA ARG 27 16.574 1.078 5.749 244 HB2 ARG 27 HB2 ARG 27 16.788 -1.338 4.047 245 HB3 ARG 27 HB1 ARG 27 18.060 -0.140 3.887 246 HG2 ARG 27 HG2 ARG 27 18.754 -1.795 5.462 247 HG3 ARG 27 HG1 ARG 27 18.441 -0.292 6.331 248 HD2 ARG 27 HD2 ARG 27 16.292 -1.123 7.059 249 HD3 ARG 27 HD1 ARG 27 16.509 -2.595 6.112 250 HE ARG 27 HE ARG 27 18.661 -2.269 7.922 251 HH11 ARG 27 HH11 ARG 27 15.261 -3.112 7.831 252 HH12 ARG 27 HH12 ARG 27 15.345 -4.123 9.241 253 HH21 ARG 27 HH21 ARG 27 18.782 -3.600 9.771 254 HH22 ARG 27 HH22 ARG 27 17.349 -4.402 10.350 255 H ILE 28 HN ILE 28 14.329 1.878 3.946 256 HA ILE 28 HA ILE 28 15.913 3.160 1.819 257 HB ILE 28 HB ILE 28 12.949 2.745 1.564 258 HG12 ILE 28 HG12 ILE 28 15.114 0.707 0.942 259 HG13 ILE 28 HG11 ILE 28 13.875 0.545 2.179 260 HG21 ILE 28 HG21 ILE 28 13.578 2.583 -0.845 261 HG22 ILE 28 HG22 ILE 28 15.261 2.853 -0.395 262 HG23 ILE 28 HG23 ILE 28 14.065 4.114 -0.126 263 HD11 ILE 28 HD11 ILE 28 13.350 0.708 -0.773 264 HD12 ILE 28 HD12 ILE 28 12.160 0.426 0.500 265 HD13 ILE 28 HD13 ILE 28 13.409 -0.777 0.176 266 H ARG 29 HN ARG 29 13.903 4.982 1.042 267 HA ARG 29 HA ARG 29 13.305 6.637 3.300 268 HB2 ARG 29 HB2 ARG 29 14.716 8.547 2.215 269 HB3 ARG 29 HB1 ARG 29 15.486 7.389 3.286 270 HG2 ARG 29 HG2 ARG 29 16.811 7.906 1.265 271 HG3 ARG 29 HG1 ARG 29 16.419 6.195 1.431 272 HD2 ARG 29 HD2 ARG 29 14.762 6.311 -0.248 273 HD3 ARG 29 HD1 ARG 29 14.787 8.073 -0.252 274 HE ARG 29 HE ARG 29 17.066 7.915 -1.204 275 HH11 ARG 29 HH11 ARG 29 14.993 5.093 -1.473 276 HH12 ARG 29 HH12 ARG 29 15.741 4.527 -2.933 277 HH21 ARG 29 HH21 ARG 29 18.062 7.145 -3.094 278 HH22 ARG 29 HH22 ARG 29 17.499 5.678 -3.842 279 H GLU 30 HN GLU 30 13.304 9.086 1.759 280 HA GLU 30 HA GLU 30 10.762 8.760 0.489 281 HB2 GLU 30 HB2 GLU 30 12.588 11.077 0.999 282 HB3 GLU 30 HB1 GLU 30 11.217 11.254 -0.095 283 HG2 GLU 30 HG2 GLU 30 10.444 11.944 2.006 284 HG3 GLU 30 HG1 GLU 30 9.784 10.332 1.723 285 H GLY 31 HN GLY 31 12.517 7.182 -0.733 286 HA2 GLY 31 HA2 GLY 31 12.202 8.040 -3.475 287 HA3 GLY 31 HA1 GLY 31 13.866 7.724 -2.979 288 H ASP 32 HN ASP 32 11.419 5.928 -1.394 289 HA ASP 32 HA ASP 32 12.320 3.440 -2.561 290 HB2 ASP 32 HB2 ASP 32 11.789 3.495 -0.178 291 HB3 ASP 32 HB1 ASP 32 10.152 4.044 -0.541 292 HA PRO 33 HA PRO 33 9.256 3.747 -5.720 293 HB2 PRO 33 HB2 PRO 33 10.370 1.488 -6.975 294 HB3 PRO 33 HB1 PRO 33 10.731 3.187 -7.341 295 HG2 PRO 33 HG2 PRO 33 12.525 1.336 -6.240 296 HG3 PRO 33 HG1 PRO 33 12.717 3.102 -6.216 297 HD2 PRO 33 HD2 PRO 33 11.736 1.264 -4.075 298 HD3 PRO 33 HD1 PRO 33 12.683 2.762 -3.935 299 H LEU 34 HN LEU 34 7.941 2.480 -3.669 300 HA LEU 34 HA LEU 34 7.792 -0.274 -3.966 301 HB2 LEU 34 HB2 LEU 34 5.301 1.048 -3.065 302 HB3 LEU 34 HB1 LEU 34 6.184 -0.285 -2.349 303 HG LEU 34 HG LEU 34 7.896 1.638 -1.728 304 HD11 LEU 34 HD11 LEU 34 6.739 3.713 -1.172 305 HD12 LEU 34 HD12 LEU 34 5.263 3.100 -1.916 306 HD13 LEU 34 HD13 LEU 34 6.687 3.410 -2.908 307 HD21 LEU 34 HD21 LEU 34 6.767 0.176 -0.142 308 HD22 LEU 34 HD22 LEU 34 5.297 1.142 -0.275 309 HD23 LEU 34 HD23 LEU 34 6.753 1.844 0.430 310 H GLU 35 HN GLU 35 6.037 -1.513 -4.570 311 HA GLU 35 HA GLU 35 4.970 -0.714 -7.206 312 HB2 GLU 35 HB2 GLU 35 6.592 -2.556 -7.423 313 HB3 GLU 35 HB1 GLU 35 5.688 -3.486 -6.242 314 HG2 GLU 35 HG2 GLU 35 3.806 -3.677 -7.730 315 HG3 GLU 35 HG1 GLU 35 4.611 -2.646 -8.918 316 H ILE 36 HN ILE 36 2.878 -0.295 -7.059 317 HA ILE 36 HA ILE 36 1.302 -1.392 -4.905 318 HB ILE 36 HB ILE 36 0.704 0.536 -7.146 319 HG12 ILE 36 HG12 ILE 36 0.174 1.506 -4.508 320 HG13 ILE 36 HG11 ILE 36 1.791 0.810 -4.558 321 HG21 ILE 36 HG21 ILE 36 -1.198 -0.424 -5.015 322 HG22 ILE 36 HG22 ILE 36 -1.314 -0.750 -6.744 323 HG23 ILE 36 HG23 ILE 36 -1.499 0.898 -6.144 324 HD11 ILE 36 HD11 ILE 36 1.862 3.162 -5.066 325 HD12 ILE 36 HD12 ILE 36 0.714 2.933 -6.383 326 HD13 ILE 36 HD13 ILE 36 2.320 2.212 -6.478 327 H PHE 37 HN PHE 37 0.624 -3.429 -5.158 328 HA PHE 37 HA PHE 37 -1.109 -3.912 -7.404 329 HB2 PHE 37 HB2 PHE 37 0.020 -5.548 -8.486 330 HB3 PHE 37 HB1 PHE 37 1.413 -4.730 -7.807 331 HD1 PHE 37 HD2 PHE 37 2.680 -5.717 -5.986 332 HD2 PHE 37 HD1 PHE 37 -0.675 -7.724 -7.672 333 HE1 PHE 37 HE2 PHE 37 3.391 -7.809 -4.907 334 HE2 PHE 37 HE1 PHE 37 0.037 -9.821 -6.595 335 HZ PHE 37 HZ PHE 37 2.072 -9.863 -5.210 336 H VAL 38 HN VAL 38 -2.878 -4.894 -6.736 337 HA VAL 38 HA VAL 38 -3.018 -5.674 -3.962 338 HB VAL 38 HB VAL 38 -4.898 -4.439 -4.601 339 HG11 VAL 38 HG11 VAL 38 -5.115 -6.135 -7.082 340 HG12 VAL 38 HG12 VAL 38 -4.584 -4.455 -7.006 341 HG13 VAL 38 HG13 VAL 38 -6.252 -4.874 -6.615 342 HG21 VAL 38 HG21 VAL 38 -5.791 -7.305 -4.874 343 HG22 VAL 38 HG22 VAL 38 -6.839 -5.931 -4.520 344 HG23 VAL 38 HG23 VAL 38 -5.597 -6.415 -3.365 345 H ASP 39 HN ASP 39 -3.408 -7.654 -3.130 346 HA ASP 39 HA ASP 39 -2.406 -9.837 -4.754 347 HB2 ASP 39 HB2 ASP 39 -1.724 -9.378 -2.339 348 HB3 ASP 39 HB1 ASP 39 -3.327 -9.998 -1.878 349 H ARG 40 HN ARG 40 -5.360 -9.094 -2.959 350 HA ARG 40 HA ARG 40 -6.603 -11.441 -4.150 351 HB2 ARG 40 HB2 ARG 40 -7.567 -11.690 -1.661 352 HB3 ARG 40 HB1 ARG 40 -6.118 -12.507 -2.222 353 HG2 ARG 40 HG2 ARG 40 -5.193 -10.058 -1.394 354 HG3 ARG 40 HG1 ARG 40 -6.409 -10.462 -0.201 355 HD2 ARG 40 HD2 ARG 40 -4.061 -12.134 -1.028 356 HD3 ARG 40 HD1 ARG 40 -4.256 -11.289 0.505 357 HE ARG 40 HE ARG 40 -6.187 -12.849 0.895 358 HH11 ARG 40 HH11 ARG 40 -3.557 -13.673 -1.270 359 HH12 ARG 40 HH12 ARG 40 -3.701 -15.390 -0.995 360 HH21 ARG 40 HH21 ARG 40 -6.356 -15.121 1.282 361 HH22 ARG 40 HH22 ARG 40 -5.285 -16.205 0.438 362 H ASP 41 HN ASP 41 -8.024 -9.798 -1.442 363 HA ASP 41 HA ASP 41 -10.308 -9.143 -3.104 364 HB2 ASP 41 HB2 ASP 41 -10.769 -10.112 -0.933 365 HB3 ASP 41 HB1 ASP 41 -9.853 -8.842 -0.129 366 H GLY 42 HN GLY 42 -8.794 -7.266 -0.547 367 HA2 GLY 42 HA2 GLY 42 -8.689 -4.951 -2.352 368 HA3 GLY 42 HA1 GLY 42 -9.525 -4.815 -0.809 369 H GLU 43 HN GLU 43 -6.765 -6.824 -1.123 370 HA GLU 43 HA GLU 43 -5.278 -5.073 0.675 371 HB2 GLU 43 HB2 GLU 43 -4.270 -7.735 -0.241 372 HB3 GLU 43 HB1 GLU 43 -4.032 -6.931 1.304 373 HG2 GLU 43 HG2 GLU 43 -6.649 -7.311 1.458 374 HG3 GLU 43 HG1 GLU 43 -6.253 -8.637 0.362 375 H VAL 44 HN VAL 44 -4.139 -3.579 -0.365 376 HA VAL 44 HA VAL 44 -2.958 -4.179 -2.953 377 HB VAL 44 HB VAL 44 -2.385 -1.635 -1.507 378 HG11 VAL 44 HG11 VAL 44 -2.532 -0.756 -3.822 379 HG12 VAL 44 HG12 VAL 44 -2.857 -2.398 -4.385 380 HG13 VAL 44 HG13 VAL 44 -1.317 -2.017 -3.614 381 HG21 VAL 44 HG21 VAL 44 -4.475 -0.637 -2.350 382 HG22 VAL 44 HG22 VAL 44 -4.788 -1.913 -1.173 383 HG23 VAL 44 HG23 VAL 44 -5.007 -2.229 -2.894 384 H ILE 45 HN ILE 45 -0.859 -4.578 -3.262 385 HA ILE 45 HA ILE 45 0.816 -4.767 -0.850 386 HB ILE 45 HB ILE 45 0.751 -6.425 -3.366 387 HG12 ILE 45 HG12 ILE 45 0.552 -8.305 -1.776 388 HG13 ILE 45 HG11 ILE 45 0.596 -7.167 -0.435 389 HG21 ILE 45 HG21 ILE 45 2.764 -7.583 -2.557 390 HG22 ILE 45 HG22 ILE 45 2.895 -6.417 -1.240 391 HG23 ILE 45 HG23 ILE 45 3.078 -5.884 -2.913 392 HD11 ILE 45 HD11 ILE 45 -1.509 -6.252 -1.104 393 HD12 ILE 45 HD12 ILE 45 -1.640 -8.003 -0.924 394 HD13 ILE 45 HD13 ILE 45 -1.541 -7.289 -2.534 395 H LEU 46 HN LEU 46 2.270 -3.214 -0.844 396 HA LEU 46 HA LEU 46 3.304 -2.122 -3.382 397 HB2 LEU 46 HB2 LEU 46 3.895 -0.741 -0.834 398 HB3 LEU 46 HB1 LEU 46 3.403 -0.076 -2.381 399 HG LEU 46 HG LEU 46 1.465 -1.521 -0.608 400 HD11 LEU 46 HD11 LEU 46 2.453 0.282 0.696 401 HD12 LEU 46 HD12 LEU 46 0.791 0.665 0.251 402 HD13 LEU 46 HD13 LEU 46 2.131 1.418 -0.614 403 HD21 LEU 46 HD21 LEU 46 -0.178 -0.211 -1.849 404 HD22 LEU 46 HD22 LEU 46 0.819 -1.176 -2.940 405 HD23 LEU 46 HD23 LEU 46 1.119 0.553 -2.769 406 H LYS 47 HN LYS 47 5.325 -2.944 -3.896 407 HA LYS 47 HA LYS 47 7.154 -3.105 -1.598 408 HB2 LYS 47 HB2 LYS 47 7.868 -5.201 -1.938 409 HB3 LYS 47 HB1 LYS 47 6.268 -5.374 -2.618 410 HG2 LYS 47 HG2 LYS 47 8.748 -4.851 -4.233 411 HG3 LYS 47 HG1 LYS 47 8.070 -6.451 -3.933 412 HD2 LYS 47 HD2 LYS 47 6.746 -4.170 -5.388 413 HD3 LYS 47 HD1 LYS 47 7.382 -5.656 -6.099 414 HE2 LYS 47 HE2 LYS 47 5.153 -5.572 -4.070 415 HE3 LYS 47 HE1 LYS 47 4.914 -5.604 -5.808 416 HZ1 LYS 47 HZ1 LYS 47 6.152 -7.709 -4.120 417 HZ2 LYS 47 HZ2 LYS 47 6.225 -7.712 -5.813 418 HZ3 LYS 47 HZ3 LYS 47 4.734 -7.814 -5.038 419 H LYS 48 HN LYS 48 9.157 -2.656 -1.822 420 HA LYS 48 HA LYS 48 10.278 -0.622 -2.785 421 HB2 LYS 48 HB2 LYS 48 12.407 -2.108 -3.172 422 HB3 LYS 48 HB1 LYS 48 11.680 -1.892 -1.579 423 HG2 LYS 48 HG2 LYS 48 10.296 -4.041 -2.674 424 HG3 LYS 48 HG1 LYS 48 11.973 -4.281 -3.187 425 HD2 LYS 48 HD2 LYS 48 11.051 -3.836 -0.347 426 HD3 LYS 48 HD1 LYS 48 11.553 -5.380 -1.049 427 HE2 LYS 48 HE2 LYS 48 13.779 -4.375 -1.505 428 HE3 LYS 48 HE1 LYS 48 13.254 -2.920 -0.658 429 HZ1 LYS 48 HZ1 LYS 48 13.361 -5.635 0.559 430 HZ2 LYS 48 HZ2 LYS 48 12.992 -4.182 1.348 431 HZ3 LYS 48 HZ3 LYS 48 14.554 -4.438 0.756 432 H TYR 49 HN TYR 49 9.585 -3.095 -5.222 433 HA TYR 49 HA TYR 49 9.709 -3.020 -7.491 434 HB2 TYR 49 HB2 TYR 49 9.031 -0.750 -7.534 435 HB3 TYR 49 HB1 TYR 49 10.629 -0.221 -7.020 436 HD1 TYR 49 HD2 TYR 49 9.253 -2.322 -9.808 437 HD2 TYR 49 HD1 TYR 49 11.888 0.799 -8.635 438 HE1 TYR 49 HE2 TYR 49 9.979 -2.068 -12.146 439 HE2 TYR 49 HE1 TYR 49 12.625 1.063 -10.964 440 HH TYR 49 HH TYR 49 12.740 -0.309 -13.030 441 H SER 50 HN SER 50 12.492 -1.722 -5.787 442 HA SER 50 HA SER 50 14.409 -1.931 -7.732 443 HB2 SER 50 HB2 SER 50 14.739 -0.855 -5.529 444 HB3 SER 50 HB1 SER 50 14.788 -2.455 -4.773 445 HG SER 50 HG SER 50 16.534 -1.926 -6.914 446 HA PRO 51 HA PRO 51 14.746 -6.615 -7.116 447 HB2 PRO 51 HB2 PRO 51 13.682 -7.893 -5.049 448 HB3 PRO 51 HB1 PRO 51 15.212 -7.024 -4.882 449 HG2 PRO 51 HG2 PRO 51 12.486 -6.258 -3.962 450 HG3 PRO 51 HG1 PRO 51 14.055 -5.947 -3.203 451 HD2 PRO 51 HD2 PRO 51 12.574 -4.145 -4.776 452 HD3 PRO 51 HD1 PRO 51 14.265 -3.963 -4.283 453 H ILE 52 HN ILE 52 12.090 -4.831 -7.177 454 HA ILE 52 HA ILE 52 9.904 -4.977 -7.785 455 HB ILE 52 HB ILE 52 10.279 -7.349 -9.472 456 HG12 ILE 52 HG12 ILE 52 12.046 -4.931 -9.867 457 HG13 ILE 52 HG11 ILE 52 12.591 -6.543 -9.404 458 HG21 ILE 52 HG21 ILE 52 9.371 -5.879 -11.172 459 HG22 ILE 52 HG22 ILE 52 9.628 -4.477 -10.136 460 HG23 ILE 52 HG23 ILE 52 8.433 -5.692 -9.689 461 HD11 ILE 52 HD11 ILE 52 11.817 -7.415 -11.545 462 HD12 ILE 52 HD12 ILE 52 12.982 -6.109 -11.764 463 HD13 ILE 52 HD13 ILE 52 11.262 -5.804 -12.002 464 H SER 53 HN SER 53 8.563 -7.374 -8.746 465 HA SER 53 HA SER 53 7.801 -8.562 -6.233 466 HB2 SER 53 HB2 SER 53 6.169 -9.768 -7.804 467 HB3 SER 53 HB1 SER 53 6.023 -8.012 -7.706 468 HG SER 53 HG SER 53 6.390 -7.944 -9.753 469 H GLU 54 HN GLU 54 10.381 -9.120 -6.671 470 HA GLU 54 HA GLU 54 11.894 -10.802 -6.634 471 HB2 GLU 54 HB2 GLU 54 9.555 -12.622 -7.237 472 HB3 GLU 54 HB1 GLU 54 11.173 -13.160 -6.813 473 HG2 GLU 54 HG2 GLU 54 10.969 -12.353 -4.607 474 HG3 GLU 54 HG1 GLU 54 9.521 -11.427 -5.005 475 H LEU 55 HN LEU 55 13.300 -10.725 -8.243 476 HA LEU 55 HA LEU 55 12.632 -10.578 -10.975 477 HB2 LEU 55 HB2 LEU 55 15.148 -10.998 -9.438 478 HB3 LEU 55 HB1 LEU 55 15.162 -11.375 -11.148 479 HG LEU 55 HG LEU 55 16.021 -9.147 -10.781 480 HD11 LEU 55 HD11 LEU 55 14.541 -7.888 -12.264 481 HD12 LEU 55 HD12 LEU 55 13.275 -9.092 -12.019 482 HD13 LEU 55 HD13 LEU 55 14.776 -9.543 -12.828 483 HD21 LEU 55 HD21 LEU 55 13.349 -8.512 -9.532 484 HD22 LEU 55 HD22 LEU 55 14.656 -7.368 -9.847 485 HD23 LEU 55 HD23 LEU 55 14.883 -8.663 -8.670 486 H1 MET 1 HT1 MET 1 -10.694 -6.685 -11.362 487 H2 MET 1 HT2 MET 1 -11.131 -7.677 -10.061 488 H3 MET 1 HT3 MET 1 -11.467 -8.168 -11.645 489 HA MET 1 HA MET 1 -9.575 -9.370 -10.807 490 HB2 MET 1 HB2 MET 1 -8.853 -7.261 -12.855 491 HB3 MET 1 HB1 MET 1 -7.875 -8.682 -12.514 492 HG2 MET 1 HG2 MET 1 -9.777 -10.103 -13.193 493 HG3 MET 1 HG1 MET 1 -10.671 -8.648 -13.628 494 HE1 MET 1 HE1 MET 1 -8.518 -7.220 -16.577 495 HE2 MET 1 HE2 MET 1 -8.281 -6.833 -14.873 496 HE3 MET 1 HE3 MET 1 -9.913 -6.969 -15.528 497 H LYS 2 HN LYS 2 -7.071 -9.035 -10.501 498 HA LYS 2 HA LYS 2 -6.544 -6.605 -8.967 499 HB2 LYS 2 HB2 LYS 2 -6.110 -7.618 -6.944 500 HB3 LYS 2 HB1 LYS 2 -7.437 -8.607 -7.526 501 HG2 LYS 2 HG2 LYS 2 -4.520 -9.303 -7.667 502 HG3 LYS 2 HG1 LYS 2 -5.683 -9.929 -6.503 503 HD2 LYS 2 HD2 LYS 2 -6.932 -10.997 -8.308 504 HD3 LYS 2 HD1 LYS 2 -5.801 -10.336 -9.494 505 HE2 LYS 2 HE2 LYS 2 -3.974 -11.547 -8.260 506 HE3 LYS 2 HE1 LYS 2 -5.239 -12.350 -7.330 507 HZ1 LYS 2 HZ1 LYS 2 -4.553 -13.733 -9.154 508 HZ2 LYS 2 HZ2 LYS 2 -4.859 -12.492 -10.271 509 HZ3 LYS 2 HZ3 LYS 2 -6.145 -13.209 -9.429 510 H ALA 3 HN ALA 3 -4.072 -7.239 -7.940 511 HA ALA 3 HA ALA 3 -1.898 -7.025 -8.494 512 HB1 ALA 3 HB1 ALA 3 -2.088 -9.413 -8.998 513 HB2 ALA 3 HB2 ALA 3 -0.910 -8.598 -10.028 514 HB3 ALA 3 HB3 ALA 3 -2.500 -9.018 -10.668 515 H THR 4 HN THR 4 -1.373 -5.082 -9.202 516 HA THR 4 HA THR 4 -2.144 -4.359 -11.926 517 HB THR 4 HB THR 4 -2.086 -1.985 -11.104 518 HG1 THR 4 HG1 THR 4 -2.449 -2.956 -8.510 519 HG21 THR 4 HG21 THR 4 -4.292 -2.075 -10.120 520 HG22 THR 4 HG22 THR 4 -4.082 -3.778 -9.717 521 HG23 THR 4 HG23 THR 4 -4.191 -3.276 -11.407 522 H GLY 5 HN GLY 5 0.366 -4.043 -9.499 523 HA2 GLY 5 HA2 GLY 5 2.643 -3.903 -9.723 524 HA3 GLY 5 HA1 GLY 5 2.427 -4.306 -11.421 525 H ILE 6 HN ILE 6 1.273 -1.526 -9.540 526 HA ILE 6 HA ILE 6 2.626 0.204 -11.491 527 HB ILE 6 HB ILE 6 0.392 0.840 -11.571 528 HG12 ILE 6 HG12 ILE 6 0.220 3.043 -10.449 529 HG13 ILE 6 HG11 ILE 6 1.634 2.640 -9.483 530 HG21 ILE 6 HG21 ILE 6 -1.059 1.176 -9.615 531 HG22 ILE 6 HG22 ILE 6 0.250 0.611 -8.576 532 HG23 ILE 6 HG23 ILE 6 -0.471 -0.480 -9.758 533 HD11 ILE 6 HD11 ILE 6 1.538 2.998 -12.471 534 HD12 ILE 6 HD12 ILE 6 2.959 2.487 -11.555 535 HD13 ILE 6 HD13 ILE 6 2.267 4.088 -11.287 536 H VAL 7 HN VAL 7 4.560 0.675 -10.799 537 HA VAL 7 HA VAL 7 5.252 0.823 -8.024 538 HB VAL 7 HB VAL 7 6.756 1.305 -10.575 539 HG11 VAL 7 HG11 VAL 7 7.582 2.948 -8.965 540 HG12 VAL 7 HG12 VAL 7 8.777 1.677 -9.242 541 HG13 VAL 7 HG13 VAL 7 7.804 1.672 -7.770 542 HG21 VAL 7 HG21 VAL 7 7.090 -0.694 -8.342 543 HG22 VAL 7 HG22 VAL 7 7.999 -0.648 -9.852 544 HG23 VAL 7 HG23 VAL 7 6.269 -0.999 -9.874 545 H ARG 8 HN ARG 8 5.400 2.543 -6.726 546 HA ARG 8 HA ARG 8 5.145 5.210 -7.867 547 HB2 ARG 8 HB2 ARG 8 3.017 5.107 -6.958 548 HB3 ARG 8 HB1 ARG 8 3.450 3.821 -5.853 549 HG2 ARG 8 HG2 ARG 8 2.811 5.900 -4.704 550 HG3 ARG 8 HG1 ARG 8 4.452 5.384 -4.313 551 HD2 ARG 8 HD2 ARG 8 4.461 7.744 -4.625 552 HD3 ARG 8 HD1 ARG 8 5.301 6.994 -5.989 553 HE ARG 8 HE ARG 8 2.895 7.266 -7.043 554 HH11 ARG 8 HH11 ARG 8 4.664 9.536 -5.032 555 HH12 ARG 8 HH12 ARG 8 3.993 10.939 -5.814 556 HH21 ARG 8 HH21 ARG 8 2.025 9.086 -8.075 557 HH22 ARG 8 HH22 ARG 8 2.512 10.682 -7.571 558 H ARG 9 HN ARG 9 7.089 6.122 -7.358 559 HA ARG 9 HA ARG 9 8.552 5.255 -5.039 560 HB2 ARG 9 HB2 ARG 9 9.572 6.187 -7.186 561 HB3 ARG 9 HB1 ARG 9 9.030 7.768 -6.623 562 HG2 ARG 9 HG2 ARG 9 10.488 7.802 -4.868 563 HG3 ARG 9 HG1 ARG 9 10.692 6.046 -4.858 564 HD2 ARG 9 HD2 ARG 9 12.683 7.076 -5.753 565 HD3 ARG 9 HD1 ARG 9 11.833 6.218 -7.041 566 HE ARG 9 HE ARG 9 11.388 9.104 -6.719 567 HH11 ARG 9 HH11 ARG 9 12.790 6.467 -8.552 568 HH12 ARG 9 HH12 ARG 9 13.003 7.405 -9.998 569 HH21 ARG 9 HH21 ARG 9 11.667 10.343 -8.617 570 HH22 ARG 9 HH22 ARG 9 12.357 9.616 -10.038 571 H ILE 10 HN ILE 10 7.657 5.647 -3.194 572 HA ILE 10 HA ILE 10 5.706 6.814 -2.141 573 HB ILE 10 HB ILE 10 7.300 7.967 -0.307 574 HG12 ILE 10 HG12 ILE 10 9.445 6.853 -0.185 575 HG13 ILE 10 HG11 ILE 10 9.058 5.856 -1.583 576 HG21 ILE 10 HG21 ILE 10 7.468 5.605 0.643 577 HG22 ILE 10 HG22 ILE 10 6.612 5.106 -0.824 578 HG23 ILE 10 HG23 ILE 10 5.864 6.251 0.289 579 HD11 ILE 10 HD11 ILE 10 10.522 7.458 -2.385 580 HD12 ILE 10 HD12 ILE 10 9.741 8.760 -1.491 581 HD13 ILE 10 HD13 ILE 10 8.928 8.037 -2.884 582 H ASP 11 HN ASP 11 7.974 9.262 -1.330 583 HA ASP 11 HA ASP 11 7.743 11.237 -3.108 584 HB2 ASP 11 HB2 ASP 11 5.836 12.564 -2.690 585 HB3 ASP 11 HB1 ASP 11 5.212 10.923 -2.738 586 H ASP 12 HN ASP 12 7.166 13.462 -1.379 587 HA ASP 12 HA ASP 12 9.688 13.511 -0.024 588 HB2 ASP 12 HB2 ASP 12 8.616 15.443 -1.258 589 HB3 ASP 12 HB1 ASP 12 7.475 15.564 0.075 590 H LEU 13 HN LEU 13 6.539 12.583 0.784 591 HA LEU 13 HA LEU 13 7.027 12.938 3.659 592 HB2 LEU 13 HB2 LEU 13 4.902 13.792 2.502 593 HB3 LEU 13 HB1 LEU 13 4.433 12.109 2.377 594 HG LEU 13 HG LEU 13 3.433 13.390 4.300 595 HD11 LEU 13 HD11 LEU 13 3.475 10.955 4.284 596 HD12 LEU 13 HD12 LEU 13 3.713 11.582 5.917 597 HD13 LEU 13 HD13 LEU 13 5.089 10.969 4.995 598 HD21 LEU 13 HD21 LEU 13 6.249 13.222 5.351 599 HD22 LEU 13 HD22 LEU 13 4.835 13.741 6.269 600 HD23 LEU 13 HD23 LEU 13 5.394 14.695 4.894 601 H GLY 14 HN GLY 14 5.582 10.493 1.463 602 HA2 GLY 14 HA2 GLY 14 6.845 8.258 1.749 603 HA3 GLY 14 HA1 GLY 14 6.337 8.435 3.432 604 H ARG 15 HN ARG 15 4.138 9.668 1.134 605 HA ARG 15 HA ARG 15 2.232 7.569 1.724 606 HB2 ARG 15 HB2 ARG 15 1.932 9.689 -0.381 607 HB3 ARG 15 HB1 ARG 15 0.669 8.833 0.485 608 HG2 ARG 15 HG2 ARG 15 0.582 10.400 2.030 609 HG3 ARG 15 HG1 ARG 15 2.331 10.321 2.298 610 HD2 ARG 15 HD2 ARG 15 2.755 11.824 0.524 611 HD3 ARG 15 HD1 ARG 15 1.095 11.710 -0.055 612 HE ARG 15 HE ARG 15 0.624 12.739 2.314 613 HH11 ARG 15 HH11 ARG 15 3.347 13.541 0.256 614 HH12 ARG 15 HH12 ARG 15 3.382 15.209 0.753 615 HH21 ARG 15 HH21 ARG 15 0.665 14.916 2.956 616 HH22 ARG 15 HH22 ARG 15 1.863 15.990 2.289 617 H VAL 16 HN VAL 16 1.351 6.144 0.220 618 HA VAL 16 HA VAL 16 2.752 6.157 -2.342 619 HB VAL 16 HB VAL 16 2.868 3.965 -2.422 620 HG11 VAL 16 HG11 VAL 16 2.881 2.751 -0.313 621 HG12 VAL 16 HG12 VAL 16 2.059 4.110 0.453 622 HG13 VAL 16 HG13 VAL 16 3.680 4.319 -0.206 623 HG21 VAL 16 HG21 VAL 16 1.081 2.366 -1.863 624 HG22 VAL 16 HG22 VAL 16 0.565 3.615 -2.997 625 HG23 VAL 16 HG23 VAL 16 0.092 3.714 -1.300 626 H VAL 17 HN VAL 17 1.707 7.091 -3.824 627 HA VAL 17 HA VAL 17 -0.977 7.905 -3.358 628 HB VAL 17 HB VAL 17 0.709 8.264 -5.845 629 HG11 VAL 17 HG11 VAL 17 -1.843 9.626 -4.988 630 HG12 VAL 17 HG12 VAL 17 -1.667 8.476 -6.316 631 HG13 VAL 17 HG13 VAL 17 -0.875 10.051 -6.403 632 HG21 VAL 17 HG21 VAL 17 0.980 10.590 -4.945 633 HG22 VAL 17 HG22 VAL 17 1.789 9.337 -4.006 634 HG23 VAL 17 HG23 VAL 17 0.268 10.026 -3.430 635 H ILE 18 HN ILE 18 -2.388 6.291 -3.382 636 HA ILE 18 HA ILE 18 -2.331 4.295 -5.467 637 HB ILE 18 HB ILE 18 -3.910 4.648 -2.936 638 HG12 ILE 18 HG12 ILE 18 -2.234 2.428 -4.130 639 HG13 ILE 18 HG11 ILE 18 -1.799 3.484 -2.789 640 HG21 ILE 18 HG21 ILE 18 -4.659 2.831 -5.233 641 HG22 ILE 18 HG22 ILE 18 -5.643 4.097 -4.493 642 HG23 ILE 18 HG23 ILE 18 -5.254 2.636 -3.582 643 HD11 ILE 18 HD11 ILE 18 -3.606 2.505 -1.457 644 HD12 ILE 18 HD12 ILE 18 -2.429 1.301 -1.982 645 HD13 ILE 18 HD13 ILE 18 -3.989 1.423 -2.796 646 HA PRO 19 HA PRO 19 -4.886 6.792 -8.203 647 HB2 PRO 19 HB2 PRO 19 -4.892 4.014 -9.315 648 HB3 PRO 19 HB1 PRO 19 -4.768 5.558 -10.171 649 HG2 PRO 19 HG2 PRO 19 -2.585 4.157 -9.787 650 HG3 PRO 19 HG1 PRO 19 -2.560 5.901 -9.447 651 HD2 PRO 19 HD2 PRO 19 -2.731 3.607 -7.531 652 HD3 PRO 19 HD1 PRO 19 -1.816 5.128 -7.393 653 H LYS 20 HN LYS 20 -7.035 6.955 -8.434 654 HA LYS 20 HA LYS 20 -8.718 5.668 -6.621 655 HB2 LYS 20 HB2 LYS 20 -10.591 6.689 -7.904 656 HB3 LYS 20 HB1 LYS 20 -9.352 7.823 -7.389 657 HG2 LYS 20 HG2 LYS 20 -9.312 6.625 -10.134 658 HG3 LYS 20 HG1 LYS 20 -10.292 8.048 -9.765 659 HD2 LYS 20 HD2 LYS 20 -7.349 7.863 -9.177 660 HD3 LYS 20 HD1 LYS 20 -7.981 8.488 -10.705 661 HE2 LYS 20 HE2 LYS 20 -9.259 10.186 -9.415 662 HE3 LYS 20 HE1 LYS 20 -8.492 9.594 -7.942 663 HZ1 LYS 20 HZ1 LYS 20 -7.354 11.541 -8.799 664 HZ2 LYS 20 HZ2 LYS 20 -7.087 10.764 -10.281 665 HZ3 LYS 20 HZ3 LYS 20 -6.339 10.183 -8.875 666 H GLU 21 HN GLU 21 -7.553 4.557 -9.614 667 HA GLU 21 HA GLU 21 -9.763 3.042 -10.469 668 HB2 GLU 21 HB2 GLU 21 -8.126 1.769 -11.815 669 HB3 GLU 21 HB1 GLU 21 -7.987 3.510 -12.001 670 HG2 GLU 21 HG2 GLU 21 -6.113 3.447 -10.355 671 HG3 GLU 21 HG1 GLU 21 -6.193 1.687 -10.432 672 H ILE 22 HN ILE 22 -7.580 2.486 -7.839 673 HA ILE 22 HA ILE 22 -8.108 -0.392 -7.923 674 HB ILE 22 HB ILE 22 -6.355 1.081 -5.937 675 HG12 ILE 22 HG12 ILE 22 -4.573 -0.348 -7.294 676 HG13 ILE 22 HG11 ILE 22 -5.768 -0.177 -8.578 677 HG21 ILE 22 HG21 ILE 22 -6.696 -1.874 -6.498 678 HG22 ILE 22 HG22 ILE 22 -7.260 -1.012 -5.066 679 HG23 ILE 22 HG23 ILE 22 -5.532 -1.175 -5.371 680 HD11 ILE 22 HD11 ILE 22 -4.314 2.008 -7.129 681 HD12 ILE 22 HD12 ILE 22 -5.684 2.283 -8.203 682 HD13 ILE 22 HD13 ILE 22 -4.199 1.566 -8.834 683 H ARG 23 HN ARG 23 -8.435 2.484 -5.923 684 HA ARG 23 HA ARG 23 -10.108 1.479 -3.908 685 HB2 ARG 23 HB2 ARG 23 -9.413 3.547 -3.297 686 HB3 ARG 23 HB1 ARG 23 -9.272 4.095 -4.954 687 HG2 ARG 23 HG2 ARG 23 -11.962 3.835 -3.685 688 HG3 ARG 23 HG1 ARG 23 -10.949 5.236 -3.351 689 HD2 ARG 23 HD2 ARG 23 -10.857 4.920 -6.113 690 HD3 ARG 23 HD1 ARG 23 -12.533 4.610 -5.676 691 HE ARG 23 HE ARG 23 -11.361 7.023 -4.544 692 HH11 ARG 23 HH11 ARG 23 -13.320 5.609 -7.103 693 HH12 ARG 23 HH12 ARG 23 -13.933 7.143 -7.639 694 HH21 ARG 23 HH21 ARG 23 -12.181 9.028 -5.256 695 HH22 ARG 23 HH22 ARG 23 -13.292 9.071 -6.603 696 H ARG 24 HN ARG 24 -10.693 2.536 -7.142 697 HA ARG 24 HA ARG 24 -13.484 2.586 -7.084 698 HB2 ARG 24 HB2 ARG 24 -12.376 3.676 -8.875 699 HB3 ARG 24 HB1 ARG 24 -11.501 2.219 -9.316 700 HG2 ARG 24 HG2 ARG 24 -13.492 1.190 -10.132 701 HG3 ARG 24 HG1 ARG 24 -14.477 2.533 -9.533 702 HD2 ARG 24 HD2 ARG 24 -13.297 4.065 -11.042 703 HD3 ARG 24 HD1 ARG 24 -12.341 2.717 -11.656 704 HE ARG 24 HE ARG 24 -14.386 1.792 -12.580 705 HH11 ARG 24 HH11 ARG 24 -14.484 5.146 -11.548 706 HH12 ARG 24 HH12 ARG 24 -15.836 5.544 -12.566 707 HH21 ARG 24 HH21 ARG 24 -16.134 2.340 -13.958 708 HH22 ARG 24 HH22 ARG 24 -16.765 3.964 -13.927 709 H THR 25 HN THR 25 -11.199 -0.032 -8.192 710 HA THR 25 HA THR 25 -13.243 -1.892 -8.634 711 HB THR 25 HB THR 25 -10.369 -2.434 -7.830 712 HG1 THR 25 HG1 THR 25 -10.221 -1.162 -9.635 713 HG21 THR 25 HG21 THR 25 -10.653 -4.495 -9.140 714 HG22 THR 25 HG22 THR 25 -12.341 -4.073 -9.433 715 HG23 THR 25 HG23 THR 25 -11.790 -4.420 -7.794 716 H LEU 26 HN LEU 26 -11.562 -0.810 -5.792 717 HA LEU 26 HA LEU 26 -12.347 -2.807 -3.947 718 HB2 LEU 26 HB2 LEU 26 -11.197 -0.126 -3.901 719 HB3 LEU 26 HB1 LEU 26 -12.272 -0.418 -2.541 720 HG LEU 26 HG LEU 26 -10.135 -1.005 -1.764 721 HD11 LEU 26 HD11 LEU 26 -11.965 -2.654 -1.347 722 HD12 LEU 26 HD12 LEU 26 -10.333 -3.308 -1.232 723 HD13 LEU 26 HD13 LEU 26 -11.311 -3.622 -2.666 724 HD21 LEU 26 HD21 LEU 26 -8.644 -2.566 -2.975 725 HD22 LEU 26 HD22 LEU 26 -8.938 -1.071 -3.862 726 HD23 LEU 26 HD23 LEU 26 -9.773 -2.553 -4.333 727 H ARG 27 HN ARG 27 -14.139 -0.467 -5.641 728 HA ARG 27 HA ARG 27 -16.242 0.346 -5.554 729 HB2 ARG 27 HB2 ARG 27 -16.469 -2.080 -3.841 730 HB3 ARG 27 HB1 ARG 27 -17.807 -0.942 -3.856 731 HG2 ARG 27 HG2 ARG 27 -18.267 -2.662 -5.445 732 HG3 ARG 27 HG1 ARG 27 -17.905 -1.181 -6.330 733 HD2 ARG 27 HD2 ARG 27 -15.622 -1.982 -6.723 734 HD3 ARG 27 HD1 ARG 27 -15.990 -3.465 -5.843 735 HE ARG 27 HE ARG 27 -17.778 -2.959 -8.044 736 HH11 ARG 27 HH11 ARG 27 -14.675 -4.338 -7.152 737 HH12 ARG 27 HH12 ARG 27 -14.646 -5.440 -8.492 738 HH21 ARG 27 HH21 ARG 27 -17.717 -4.372 -9.812 739 HH22 ARG 27 HH22 ARG 27 -16.371 -5.454 -10.023 740 H ILE 28 HN ILE 28 -14.093 1.266 -3.807 741 HA ILE 28 HA ILE 28 -15.700 2.526 -1.677 742 HB ILE 28 HB ILE 28 -12.716 2.169 -1.482 743 HG12 ILE 28 HG12 ILE 28 -14.859 0.214 -0.586 744 HG13 ILE 28 HG11 ILE 28 -13.700 -0.062 -1.880 745 HG21 ILE 28 HG21 ILE 28 -13.198 2.291 0.928 746 HG22 ILE 28 HG22 ILE 28 -14.921 2.428 0.578 747 HG23 ILE 28 HG23 ILE 28 -13.817 3.711 0.083 748 HD11 ILE 28 HD11 ILE 28 -13.087 -1.229 0.162 749 HD12 ILE 28 HD12 ILE 28 -13.023 0.308 1.026 750 HD13 ILE 28 HD13 ILE 28 -11.883 -0.020 -0.279 751 H ARG 29 HN ARG 29 -13.837 4.491 -0.954 752 HA ARG 29 HA ARG 29 -13.162 6.026 -3.288 753 HB2 ARG 29 HB2 ARG 29 -14.631 7.975 -2.447 754 HB3 ARG 29 HB1 ARG 29 -15.396 6.691 -3.368 755 HG2 ARG 29 HG2 ARG 29 -16.703 7.458 -1.401 756 HG3 ARG 29 HG1 ARG 29 -16.338 5.733 -1.393 757 HD2 ARG 29 HD2 ARG 29 -14.574 6.064 0.210 758 HD3 ARG 29 HD1 ARG 29 -14.756 7.811 0.111 759 HE ARG 29 HE ARG 29 -16.912 7.587 1.201 760 HH11 ARG 29 HH11 ARG 29 -14.892 4.727 1.266 761 HH12 ARG 29 HH12 ARG 29 -15.602 4.092 2.716 762 HH21 ARG 29 HH21 ARG 29 -17.846 6.761 3.115 763 HH22 ARG 29 HH22 ARG 29 -17.285 5.250 3.760 764 H GLU 30 HN GLU 30 -13.261 8.551 -1.910 765 HA GLU 30 HA GLU 30 -10.728 8.388 -0.617 766 HB2 GLU 30 HB2 GLU 30 -12.650 10.579 -1.256 767 HB3 GLU 30 HB1 GLU 30 -11.310 10.890 -0.157 768 HG2 GLU 30 HG2 GLU 30 -10.596 11.512 -2.315 769 HG3 GLU 30 HG1 GLU 30 -9.775 10.012 -1.902 770 H GLY 31 HN GLY 31 -12.618 6.855 0.692 771 HA2 GLY 31 HA2 GLY 31 -12.093 7.808 3.379 772 HA3 GLY 31 HA1 GLY 31 -13.785 7.480 2.992 773 H ASP 32 HN ASP 32 -11.255 5.693 1.469 774 HA ASP 32 HA ASP 32 -12.142 3.202 2.645 775 HB2 ASP 32 HB2 ASP 32 -11.565 3.259 0.290 776 HB3 ASP 32 HB1 ASP 32 -9.942 3.844 0.672 777 HA PRO 33 HA PRO 33 -9.094 3.550 5.833 778 HB2 PRO 33 HB2 PRO 33 -10.145 1.305 7.113 779 HB3 PRO 33 HB1 PRO 33 -10.546 2.994 7.456 780 HG2 PRO 33 HG2 PRO 33 -12.289 1.059 6.361 781 HG3 PRO 33 HG1 PRO 33 -12.558 2.811 6.413 782 HD2 PRO 33 HD2 PRO 33 -11.625 1.110 4.148 783 HD3 PRO 33 HD1 PRO 33 -12.551 2.628 4.136 784 H LEU 34 HN LEU 34 -7.566 2.546 4.044 785 HA LEU 34 HA LEU 34 -7.391 -0.250 4.161 786 HB2 LEU 34 HB2 LEU 34 -5.114 1.533 3.289 787 HB3 LEU 34 HB1 LEU 34 -5.399 -0.132 2.829 788 HG LEU 34 HG LEU 34 -7.607 0.889 1.786 789 HD11 LEU 34 HD11 LEU 34 -7.468 3.135 2.418 790 HD12 LEU 34 HD12 LEU 34 -6.929 3.121 0.740 791 HD13 LEU 34 HD13 LEU 34 -5.749 3.231 2.047 792 HD21 LEU 34 HD21 LEU 34 -5.892 -0.323 0.563 793 HD22 LEU 34 HD22 LEU 34 -4.878 1.121 0.525 794 HD23 LEU 34 HD23 LEU 34 -6.416 1.100 -0.339 795 H GLU 35 HN GLU 35 -5.691 -1.473 4.854 796 HA GLU 35 HA GLU 35 -4.614 -0.575 7.455 797 HB2 GLU 35 HB2 GLU 35 -6.232 -2.398 7.797 798 HB3 GLU 35 HB1 GLU 35 -5.335 -3.401 6.669 799 HG2 GLU 35 HG2 GLU 35 -3.431 -3.439 8.143 800 HG3 GLU 35 HG1 GLU 35 -4.257 -2.370 9.277 801 H ILE 36 HN ILE 36 -2.558 -0.225 7.372 802 HA ILE 36 HA ILE 36 -0.985 -1.289 5.184 803 HB ILE 36 HB ILE 36 -0.367 0.724 7.341 804 HG12 ILE 36 HG12 ILE 36 -1.208 0.963 4.458 805 HG13 ILE 36 HG11 ILE 36 -2.058 1.560 5.880 806 HG21 ILE 36 HG21 ILE 36 1.230 0.013 4.886 807 HG22 ILE 36 HG22 ILE 36 1.664 -0.377 6.550 808 HG23 ILE 36 HG23 ILE 36 1.601 1.306 6.027 809 HD11 ILE 36 HD11 ILE 36 -1.007 3.364 4.678 810 HD12 ILE 36 HD12 ILE 36 0.558 2.565 4.819 811 HD13 ILE 36 HD13 ILE 36 -0.261 3.162 6.263 812 H PHE 37 HN PHE 37 -0.166 -3.256 5.531 813 HA PHE 37 HA PHE 37 1.632 -3.572 7.763 814 HB2 PHE 37 HB2 PHE 37 0.659 -5.290 8.894 815 HB3 PHE 37 HB1 PHE 37 -0.810 -4.523 8.311 816 HD1 PHE 37 HD2 PHE 37 -2.081 -5.548 6.463 817 HD2 PHE 37 HD1 PHE 37 1.339 -7.437 8.147 818 HE1 PHE 37 HE2 PHE 37 -2.749 -7.682 5.433 819 HE2 PHE 37 HE1 PHE 37 0.676 -9.569 7.124 820 HZ PHE 37 HZ PHE 37 -1.370 -9.695 5.763 821 H VAL 38 HN VAL 38 3.416 -4.577 7.122 822 HA VAL 38 HA VAL 38 3.532 -5.425 4.366 823 HB VAL 38 HB VAL 38 5.441 -4.218 4.940 824 HG11 VAL 38 HG11 VAL 38 5.660 -5.824 7.484 825 HG12 VAL 38 HG12 VAL 38 5.132 -4.146 7.349 826 HG13 VAL 38 HG13 VAL 38 6.796 -4.583 6.962 827 HG21 VAL 38 HG21 VAL 38 7.339 -5.717 4.827 828 HG22 VAL 38 HG22 VAL 38 6.042 -6.331 3.799 829 HG23 VAL 38 HG23 VAL 38 6.343 -7.066 5.372 830 H ASP 39 HN ASP 39 3.986 -7.438 3.594 831 HA ASP 39 HA ASP 39 2.981 -9.579 5.281 832 HB2 ASP 39 HB2 ASP 39 2.157 -9.256 2.949 833 HB3 ASP 39 HB1 ASP 39 3.777 -9.660 2.368 834 H ARG 40 HN ARG 40 5.896 -8.906 3.368 835 HA ARG 40 HA ARG 40 7.270 -10.923 4.944 836 HB2 ARG 40 HB2 ARG 40 8.452 -11.559 2.697 837 HB3 ARG 40 HB1 ARG 40 6.920 -12.295 3.158 838 HG2 ARG 40 HG2 ARG 40 6.171 -10.015 1.785 839 HG3 ARG 40 HG1 ARG 40 7.570 -10.621 0.888 840 HD2 ARG 40 HD2 ARG 40 5.206 -12.302 1.693 841 HD3 ARG 40 HD1 ARG 40 5.383 -11.539 0.115 842 HE ARG 40 HE ARG 40 7.294 -12.967 -0.291 843 HH11 ARG 40 HH11 ARG 40 5.305 -13.819 2.468 844 HH12 ARG 40 HH12 ARG 40 5.804 -15.485 2.481 845 HH21 ARG 40 HH21 ARG 40 7.943 -15.174 -0.289 846 HH22 ARG 40 HH22 ARG 40 7.302 -16.256 0.913 847 H ASP 41 HN ASP 41 8.771 -9.651 2.102 848 HA ASP 41 HA ASP 41 10.927 -8.686 3.721 849 HB2 ASP 41 HB2 ASP 41 11.398 -9.794 1.604 850 HB3 ASP 41 HB1 ASP 41 10.496 -8.555 0.733 851 H GLY 42 HN GLY 42 9.370 -7.009 1.037 852 HA2 GLY 42 HA2 GLY 42 9.167 -4.608 2.730 853 HA3 GLY 42 HA1 GLY 42 9.977 -4.516 1.169 854 H GLU 43 HN GLU 43 7.277 -6.617 1.573 855 HA GLU 43 HA GLU 43 5.751 -4.961 -0.277 856 HB2 GLU 43 HB2 GLU 43 4.713 -7.569 0.728 857 HB3 GLU 43 HB1 GLU 43 4.570 -6.841 -0.864 858 HG2 GLU 43 HG2 GLU 43 7.132 -7.275 -0.988 859 HG3 GLU 43 HG1 GLU 43 6.793 -8.447 0.291 860 H VAL 44 HN VAL 44 4.576 -3.443 0.706 861 HA VAL 44 HA VAL 44 3.386 -3.983 3.306 862 HB VAL 44 HB VAL 44 2.709 -1.513 1.797 863 HG11 VAL 44 HG11 VAL 44 1.779 -1.896 3.989 864 HG12 VAL 44 HG12 VAL 44 2.904 -0.540 4.047 865 HG13 VAL 44 HG13 VAL 44 3.391 -2.116 4.673 866 HG21 VAL 44 HG21 VAL 44 5.092 -1.700 1.344 867 HG22 VAL 44 HG22 VAL 44 5.419 -1.995 3.051 868 HG23 VAL 44 HG23 VAL 44 4.808 -0.424 2.528 869 H ILE 45 HN ILE 45 1.303 -4.448 3.618 870 HA ILE 45 HA ILE 45 -0.389 -4.734 1.221 871 HB ILE 45 HB ILE 45 -0.260 -6.308 3.786 872 HG12 ILE 45 HG12 ILE 45 -0.123 -8.236 2.220 873 HG13 ILE 45 HG11 ILE 45 -0.177 -7.112 0.868 874 HG21 ILE 45 HG21 ILE 45 -2.592 -5.846 3.467 875 HG22 ILE 45 HG22 ILE 45 -2.289 -7.523 3.011 876 HG23 ILE 45 HG23 ILE 45 -2.499 -6.297 1.763 877 HD11 ILE 45 HD11 ILE 45 2.068 -7.945 1.332 878 HD12 ILE 45 HD12 ILE 45 1.994 -7.214 2.937 879 HD13 ILE 45 HD13 ILE 45 1.940 -6.195 1.496 880 H LEU 46 HN LEU 46 -1.906 -3.250 1.163 881 HA LEU 46 HA LEU 46 -2.972 -2.076 3.650 882 HB2 LEU 46 HB2 LEU 46 -3.592 -0.879 1.004 883 HB3 LEU 46 HB1 LEU 46 -3.206 -0.095 2.526 884 HG LEU 46 HG LEU 46 -1.099 -1.533 0.953 885 HD11 LEU 46 HD11 LEU 46 -2.157 0.046 -0.563 886 HD12 LEU 46 HD12 LEU 46 -0.553 0.612 -0.094 887 HD13 LEU 46 HD13 LEU 46 -1.991 1.330 0.635 888 HD21 LEU 46 HD21 LEU 46 0.384 0.011 2.119 889 HD22 LEU 46 HD22 LEU 46 -0.592 -0.911 3.264 890 HD23 LEU 46 HD23 LEU 46 -1.003 0.766 2.904 891 H LYS 47 HN LYS 47 -4.969 -2.912 4.224 892 HA LYS 47 HA LYS 47 -6.791 -3.368 1.955 893 HB2 LYS 47 HB2 LYS 47 -7.445 -5.446 2.541 894 HB3 LYS 47 HB1 LYS 47 -5.803 -5.491 3.139 895 HG2 LYS 47 HG2 LYS 47 -8.209 -4.918 4.842 896 HG3 LYS 47 HG1 LYS 47 -7.493 -6.513 4.633 897 HD2 LYS 47 HD2 LYS 47 -6.180 -4.086 5.832 898 HD3 LYS 47 HD1 LYS 47 -6.729 -5.527 6.693 899 HE2 LYS 47 HE2 LYS 47 -4.591 -5.527 4.566 900 HE3 LYS 47 HE1 LYS 47 -4.269 -5.419 6.292 901 HZ1 LYS 47 HZ1 LYS 47 -4.049 -7.675 5.653 902 HZ2 LYS 47 HZ2 LYS 47 -5.521 -7.675 4.821 903 HZ3 LYS 47 HZ3 LYS 47 -5.498 -7.559 6.512 904 H LYS 48 HN LYS 48 -8.978 -3.185 2.316 905 HA LYS 48 HA LYS 48 -9.693 -0.723 3.105 906 HB2 LYS 48 HB2 LYS 48 -12.060 -1.709 3.111 907 HB3 LYS 48 HB1 LYS 48 -11.085 -1.795 1.647 908 HG2 LYS 48 HG2 LYS 48 -10.388 -4.083 3.004 909 HG3 LYS 48 HG1 LYS 48 -12.112 -3.929 3.331 910 HD2 LYS 48 HD2 LYS 48 -11.011 -3.685 0.546 911 HD3 LYS 48 HD1 LYS 48 -11.379 -5.260 1.263 912 HE2 LYS 48 HE2 LYS 48 -13.691 -4.361 1.720 913 HE3 LYS 48 HE1 LYS 48 -13.256 -2.976 0.715 914 HZ1 LYS 48 HZ1 LYS 48 -13.060 -5.782 -0.232 915 HZ2 LYS 48 HZ2 LYS 48 -12.979 -4.369 -1.158 916 HZ3 LYS 48 HZ3 LYS 48 -14.447 -4.834 -0.461 917 H TYR 49 HN TYR 49 -9.174 -3.083 5.519 918 HA TYR 49 HA TYR 49 -9.376 -3.009 7.759 919 HB2 TYR 49 HB2 TYR 49 -8.808 -0.677 7.657 920 HB3 TYR 49 HB1 TYR 49 -10.492 -0.279 7.346 921 HD1 TYR 49 HD2 TYR 49 -8.934 -2.556 9.868 922 HD2 TYR 49 HD1 TYR 49 -11.309 0.904 9.155 923 HE1 TYR 49 HE2 TYR 49 -9.353 -2.352 12.282 924 HE2 TYR 49 HE1 TYR 49 -11.735 1.117 11.566 925 HH TYR 49 HH TYR 49 -11.722 -0.206 13.559 926 H SER 50 HN SER 50 -12.204 -1.937 5.998 927 HA SER 50 HA SER 50 -14.138 -2.114 7.952 928 HB2 SER 50 HB2 SER 50 -14.391 -1.154 5.646 929 HB3 SER 50 HB1 SER 50 -14.521 -2.810 5.030 930 HG SER 50 HG SER 50 -16.212 -2.147 7.141 931 HA PRO 51 HA PRO 51 -14.245 -6.820 7.581 932 HB2 PRO 51 HB2 PRO 51 -13.073 -8.164 5.633 933 HB3 PRO 51 HB1 PRO 51 -14.608 -7.338 5.341 934 HG2 PRO 51 HG2 PRO 51 -11.845 -6.535 4.551 935 HG3 PRO 51 HG1 PRO 51 -13.366 -6.349 3.660 936 HD2 PRO 51 HD2 PRO 51 -12.096 -4.373 5.197 937 HD3 PRO 51 HD1 PRO 51 -13.768 -4.326 4.606 938 H ILE 52 HN ILE 52 -11.646 -4.908 7.576 939 HA ILE 52 HA ILE 52 -9.452 -4.947 8.170 940 HB ILE 52 HB ILE 52 -9.795 -7.278 9.949 941 HG12 ILE 52 HG12 ILE 52 -11.485 -4.795 10.243 942 HG13 ILE 52 HG11 ILE 52 -12.076 -6.435 9.982 943 HG21 ILE 52 HG21 ILE 52 -8.769 -5.793 11.564 944 HG22 ILE 52 HG22 ILE 52 -9.019 -4.413 10.497 945 HG23 ILE 52 HG23 ILE 52 -7.884 -5.679 10.042 946 HD11 ILE 52 HD11 ILE 52 -11.202 -7.088 12.167 947 HD12 ILE 52 HD12 ILE 52 -12.344 -5.750 12.298 948 HD13 ILE 52 HD13 ILE 52 -10.611 -5.445 12.421 949 H SER 53 HN SER 53 -8.108 -7.425 9.203 950 HA SER 53 HA SER 53 -7.287 -8.485 6.651 951 HB2 SER 53 HB2 SER 53 -5.624 -9.720 8.069 952 HB3 SER 53 HB1 SER 53 -5.589 -7.972 8.300 953 HG SER 53 HG SER 53 -6.100 -9.933 10.091 954 H GLU 54 HN GLU 54 -9.950 -8.988 7.297 955 HA GLU 54 HA GLU 54 -11.538 -10.582 7.318 956 HB2 GLU 54 HB2 GLU 54 -10.060 -12.044 6.019 957 HB3 GLU 54 HB1 GLU 54 -9.274 -12.579 7.497 958 HG2 GLU 54 HG2 GLU 54 -10.820 -14.255 6.797 959 HG3 GLU 54 HG1 GLU 54 -11.430 -13.502 8.268 960 H LEU 55 HN LEU 55 -12.776 -10.646 9.038 961 HA LEU 55 HA LEU 55 -11.852 -10.475 11.679 962 HB2 LEU 55 HB2 LEU 55 -14.504 -11.029 10.426 963 HB3 LEU 55 HB1 LEU 55 -14.317 -11.286 12.147 964 HG LEU 55 HG LEU 55 -15.270 -9.106 11.751 965 HD11 LEU 55 HD11 LEU 55 -12.391 -8.929 12.622 966 HD12 LEU 55 HD12 LEU 55 -13.778 -9.308 13.643 967 HD13 LEU 55 HD13 LEU 55 -13.627 -7.708 12.919 968 HD21 LEU 55 HD21 LEU 55 -12.809 -8.527 10.103 969 HD22 LEU 55 HD22 LEU 55 -14.063 -7.364 10.537 970 HD23 LEU 55 HD23 LEU 55 -14.451 -8.727 9.487 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 7.828 -6.357 13.490 2 H2 MET 1 HT2 MET 1 9.479 -6.627 13.739 3 H3 MET 1 HT3 MET 1 8.602 -7.655 12.720 4 HA MET 1 HA MET 1 9.259 -4.811 12.266 5 HB2 MET 1 HB2 MET 1 10.098 -7.368 10.899 6 HB3 MET 1 HB1 MET 1 10.342 -5.776 10.196 7 HG2 MET 1 HG2 MET 1 11.716 -5.141 12.116 8 HG3 MET 1 HG1 MET 1 11.487 -6.748 12.803 9 HE1 MET 1 HE1 MET 1 14.184 -6.915 12.992 10 HE2 MET 1 HE2 MET 1 14.317 -5.322 12.250 11 HE3 MET 1 HE3 MET 1 15.259 -6.671 11.615 12 H LYS 2 HN LYS 2 7.717 -7.683 10.735 13 HA LYS 2 HA LYS 2 6.192 -5.798 9.109 14 HB2 LYS 2 HB2 LYS 2 5.417 -7.962 7.929 15 HB3 LYS 2 HB1 LYS 2 7.036 -7.356 7.643 16 HG2 LYS 2 HG2 LYS 2 7.189 -9.687 7.854 17 HG3 LYS 2 HG1 LYS 2 7.855 -8.996 9.334 18 HD2 LYS 2 HD2 LYS 2 6.469 -10.928 9.840 19 HD3 LYS 2 HD1 LYS 2 5.732 -9.462 10.485 20 HE2 LYS 2 HE2 LYS 2 4.186 -9.373 8.625 21 HE3 LYS 2 HE1 LYS 2 4.971 -10.760 7.869 22 HZ1 LYS 2 HZ1 LYS 2 4.228 -12.169 9.606 23 HZ2 LYS 2 HZ2 LYS 2 2.886 -11.285 9.078 24 HZ3 LYS 2 HZ3 LYS 2 3.663 -10.865 10.531 25 H ALA 3 HN ALA 3 3.905 -6.865 8.524 26 HA ALA 3 HA ALA 3 1.777 -6.620 9.216 27 HB1 ALA 3 HB1 ALA 3 0.978 -8.035 10.994 28 HB2 ALA 3 HB2 ALA 3 2.630 -8.318 11.545 29 HB3 ALA 3 HB3 ALA 3 2.111 -8.917 9.969 30 H THR 4 HN THR 4 1.999 -4.409 9.514 31 HA THR 4 HA THR 4 2.571 -3.449 12.175 32 HB THR 4 HB THR 4 2.430 -1.190 11.019 33 HG1 THR 4 HG1 THR 4 1.413 -1.621 9.110 34 HG21 THR 4 HG21 THR 4 4.658 -1.388 10.087 35 HG22 THR 4 HG22 THR 4 4.493 -3.140 9.989 36 HG23 THR 4 HG23 THR 4 4.557 -2.347 11.566 37 H GLY 5 HN GLY 5 -0.047 -3.528 9.884 38 HA2 GLY 5 HA2 GLY 5 -2.326 -3.277 10.175 39 HA3 GLY 5 HA1 GLY 5 -2.006 -3.580 11.883 40 H ILE 6 HN ILE 6 -1.027 -0.920 9.756 41 HA ILE 6 HA ILE 6 -2.405 0.929 11.582 42 HB ILE 6 HB ILE 6 -0.193 1.646 11.602 43 HG12 ILE 6 HG12 ILE 6 -0.057 3.706 10.200 44 HG13 ILE 6 HG11 ILE 6 -1.485 3.164 9.328 45 HG21 ILE 6 HG21 ILE 6 1.281 1.771 9.658 46 HG22 ILE 6 HG22 ILE 6 -0.012 1.137 8.641 47 HG23 ILE 6 HG23 ILE 6 0.676 0.135 9.919 48 HD11 ILE 6 HD11 ILE 6 -1.336 3.875 12.248 49 HD12 ILE 6 HD12 ILE 6 -2.767 3.259 11.419 50 HD13 ILE 6 HD13 ILE 6 -2.092 4.821 10.960 51 H VAL 7 HN VAL 7 -4.313 1.500 10.851 52 HA VAL 7 HA VAL 7 -4.924 1.270 8.027 53 HB VAL 7 HB VAL 7 -6.638 1.944 10.406 54 HG11 VAL 7 HG11 VAL 7 -7.450 3.271 8.529 55 HG12 VAL 7 HG12 VAL 7 -8.555 1.929 8.848 56 HG13 VAL 7 HG13 VAL 7 -7.430 1.846 7.488 57 HG21 VAL 7 HG21 VAL 7 -6.638 -0.372 8.476 58 HG22 VAL 7 HG22 VAL 7 -7.694 -0.182 9.874 59 HG23 VAL 7 HG23 VAL 7 -5.957 -0.395 10.105 60 H ARG 8 HN ARG 8 -5.229 2.867 6.581 61 HA ARG 8 HA ARG 8 -4.879 5.635 7.429 62 HB2 ARG 8 HB2 ARG 8 -2.807 5.289 6.428 63 HB3 ARG 8 HB1 ARG 8 -3.388 3.948 5.468 64 HG2 ARG 8 HG2 ARG 8 -2.678 5.847 4.088 65 HG3 ARG 8 HG1 ARG 8 -4.388 5.462 3.853 66 HD2 ARG 8 HD2 ARG 8 -5.059 7.291 5.171 67 HD3 ARG 8 HD1 ARG 8 -3.411 7.604 5.722 68 HE ARG 8 HE ARG 8 -3.855 7.835 2.869 69 HH11 ARG 8 HH11 ARG 8 -3.723 9.435 5.985 70 HH12 ARG 8 HH12 ARG 8 -3.582 11.032 5.304 71 HH21 ARG 8 HH21 ARG 8 -3.671 9.942 1.971 72 HH22 ARG 8 HH22 ARG 8 -3.543 11.314 3.024 73 H ARG 9 HN ARG 9 -6.965 6.378 7.062 74 HA ARG 9 HA ARG 9 -8.506 5.350 4.842 75 HB2 ARG 9 HB2 ARG 9 -9.313 6.476 7.121 76 HB3 ARG 9 HB1 ARG 9 -9.229 7.933 6.129 77 HG2 ARG 9 HG2 ARG 9 -11.148 7.450 5.159 78 HG3 ARG 9 HG1 ARG 9 -10.578 5.836 4.711 79 HD2 ARG 9 HD2 ARG 9 -11.080 5.096 7.035 80 HD3 ARG 9 HD1 ARG 9 -11.795 6.680 7.337 81 HE ARG 9 HE ARG 9 -12.940 5.371 5.068 82 HH11 ARG 9 HH11 ARG 9 -13.047 5.670 8.544 83 HH12 ARG 9 HH12 ARG 9 -14.641 4.982 8.685 84 HH21 ARG 9 HH21 ARG 9 -15.027 4.479 5.230 85 HH22 ARG 9 HH22 ARG 9 -15.771 4.303 6.790 86 H ILE 10 HN ILE 10 -7.660 5.735 2.975 87 HA ILE 10 HA ILE 10 -6.006 7.133 1.726 88 HB ILE 10 HB ILE 10 -7.820 7.819 -0.078 89 HG12 ILE 10 HG12 ILE 10 -9.884 6.625 0.064 90 HG13 ILE 10 HG11 ILE 10 -9.314 5.677 1.433 91 HG21 ILE 10 HG21 ILE 10 -6.207 6.146 -0.445 92 HG22 ILE 10 HG22 ILE 10 -7.779 5.423 -0.796 93 HG23 ILE 10 HG23 ILE 10 -6.963 5.070 0.731 94 HD11 ILE 10 HD11 ILE 10 -10.241 8.518 1.394 95 HD12 ILE 10 HD12 ILE 10 -9.292 7.863 2.729 96 HD13 ILE 10 HD13 ILE 10 -10.859 7.157 2.334 97 H ASP 11 HN ASP 11 -8.546 9.155 0.748 98 HA ASP 11 HA ASP 11 -8.761 11.298 2.277 99 HB2 ASP 11 HB2 ASP 11 -7.004 12.872 1.873 100 HB3 ASP 11 HB1 ASP 11 -6.209 11.378 2.343 101 H ASP 12 HN ASP 12 -8.426 13.450 0.490 102 HA ASP 12 HA ASP 12 -10.587 12.912 -1.272 103 HB2 ASP 12 HB2 ASP 12 -10.197 15.139 -0.297 104 HB3 ASP 12 HB1 ASP 12 -8.703 15.280 -1.219 105 H LEU 13 HN LEU 13 -7.172 12.681 -1.567 106 HA LEU 13 HA LEU 13 -7.292 12.482 -4.478 107 HB2 LEU 13 HB2 LEU 13 -5.472 13.749 -3.198 108 HB3 LEU 13 HB1 LEU 13 -4.846 12.173 -2.759 109 HG LEU 13 HG LEU 13 -3.698 13.256 -4.700 110 HD11 LEU 13 HD11 LEU 13 -3.703 11.242 -6.136 111 HD12 LEU 13 HD12 LEU 13 -5.059 10.616 -5.193 112 HD13 LEU 13 HD13 LEU 13 -3.496 10.882 -4.421 113 HD21 LEU 13 HD21 LEU 13 -5.612 14.321 -5.731 114 HD22 LEU 13 HD22 LEU 13 -6.332 12.747 -6.068 115 HD23 LEU 13 HD23 LEU 13 -4.838 13.224 -6.875 116 H GLY 14 HN GLY 14 -5.861 10.568 -1.801 117 HA2 GLY 14 HA2 GLY 14 -6.924 8.260 -1.729 118 HA3 GLY 14 HA1 GLY 14 -6.464 8.184 -3.424 119 H ARG 15 HN ARG 15 -4.217 9.729 -1.209 120 HA ARG 15 HA ARG 15 -2.340 7.615 -1.841 121 HB2 ARG 15 HB2 ARG 15 -1.804 9.748 0.197 122 HB3 ARG 15 HB1 ARG 15 -0.643 8.785 -0.702 123 HG2 ARG 15 HG2 ARG 15 -0.459 10.704 -1.845 124 HG3 ARG 15 HG1 ARG 15 -1.832 10.013 -2.730 125 HD2 ARG 15 HD2 ARG 15 -3.372 11.288 -1.604 126 HD3 ARG 15 HD1 ARG 15 -2.251 11.603 -0.260 127 HE ARG 15 HE ARG 15 -1.169 12.745 -2.590 128 HH11 ARG 15 HH11 ARG 15 -3.940 13.230 -0.497 129 HH12 ARG 15 HH12 ARG 15 -3.976 14.949 -0.739 130 HH21 ARG 15 HH21 ARG 15 -1.246 15.007 -2.934 131 HH22 ARG 15 HH22 ARG 15 -2.480 15.951 -2.148 132 H VAL 16 HN VAL 16 -1.260 6.334 -0.411 133 HA VAL 16 HA VAL 16 -2.498 6.041 2.234 134 HB VAL 16 HB VAL 16 -1.010 4.023 0.534 135 HG11 VAL 16 HG11 VAL 16 -1.387 2.447 2.408 136 HG12 VAL 16 HG12 VAL 16 -1.919 3.807 3.398 137 HG13 VAL 16 HG13 VAL 16 -0.262 3.746 2.803 138 HG21 VAL 16 HG21 VAL 16 -3.359 4.310 -0.037 139 HG22 VAL 16 HG22 VAL 16 -3.814 4.048 1.647 140 HG23 VAL 16 HG23 VAL 16 -3.086 2.738 0.715 141 H VAL 17 HN VAL 17 -1.376 7.283 3.494 142 HA VAL 17 HA VAL 17 1.310 8.039 2.967 143 HB VAL 17 HB VAL 17 -0.321 8.410 5.486 144 HG11 VAL 17 HG11 VAL 17 2.205 9.777 4.570 145 HG12 VAL 17 HG12 VAL 17 2.067 8.624 5.902 146 HG13 VAL 17 HG13 VAL 17 1.267 10.195 6.005 147 HG21 VAL 17 HG21 VAL 17 -0.562 10.750 4.548 148 HG22 VAL 17 HG22 VAL 17 -1.469 9.483 3.724 149 HG23 VAL 17 HG23 VAL 17 0.025 10.101 3.013 150 H ILE 18 HN ILE 18 2.883 6.603 3.134 151 HA ILE 18 HA ILE 18 2.737 4.472 5.103 152 HB ILE 18 HB ILE 18 4.610 4.966 2.782 153 HG12 ILE 18 HG12 ILE 18 2.365 4.165 2.206 154 HG13 ILE 18 HG11 ILE 18 3.584 2.938 1.875 155 HG21 ILE 18 HG21 ILE 18 4.653 2.672 4.749 156 HG22 ILE 18 HG22 ILE 18 5.853 3.959 4.642 157 HG23 ILE 18 HG23 ILE 18 5.657 2.823 3.305 158 HD11 ILE 18 HD11 ILE 18 1.602 1.954 2.855 159 HD12 ILE 18 HD12 ILE 18 1.741 3.017 4.256 160 HD13 ILE 18 HD13 ILE 18 2.975 1.794 3.948 161 HA PRO 19 HA PRO 19 5.201 6.951 7.982 162 HB2 PRO 19 HB2 PRO 19 5.077 4.184 9.115 163 HB3 PRO 19 HB1 PRO 19 4.937 5.742 9.947 164 HG2 PRO 19 HG2 PRO 19 2.748 4.388 9.454 165 HG3 PRO 19 HG1 PRO 19 2.787 6.129 9.094 166 HD2 PRO 19 HD2 PRO 19 3.018 3.806 7.215 167 HD3 PRO 19 HD1 PRO 19 2.127 5.336 7.016 168 H LYS 20 HN LYS 20 7.288 7.176 8.068 169 HA LYS 20 HA LYS 20 9.044 5.790 6.458 170 HB2 LYS 20 HB2 LYS 20 10.855 6.935 7.674 171 HB3 LYS 20 HB1 LYS 20 9.567 8.018 7.170 172 HG2 LYS 20 HG2 LYS 20 9.683 6.853 9.931 173 HG3 LYS 20 HG1 LYS 20 10.517 8.352 9.503 174 HD2 LYS 20 HD2 LYS 20 7.575 7.840 9.131 175 HD3 LYS 20 HD1 LYS 20 8.272 8.684 10.520 176 HE2 LYS 20 HE2 LYS 20 8.512 9.539 7.632 177 HE3 LYS 20 HE1 LYS 20 7.383 10.223 8.798 178 HZ1 LYS 20 HZ1 LYS 20 9.357 11.593 8.525 179 HZ2 LYS 20 HZ2 LYS 20 10.347 10.312 9.017 180 HZ3 LYS 20 HZ3 LYS 20 9.244 11.000 10.110 181 H GLU 21 HN GLU 21 7.782 4.751 9.437 182 HA GLU 21 HA GLU 21 10.049 3.380 10.425 183 HB2 GLU 21 HB2 GLU 21 8.580 2.282 11.957 184 HB3 GLU 21 HB1 GLU 21 8.048 3.950 11.792 185 HG2 GLU 21 HG2 GLU 21 6.229 3.302 10.397 186 HG3 GLU 21 HG1 GLU 21 6.818 1.642 10.319 187 H ILE 22 HN ILE 22 7.888 2.614 7.820 188 HA ILE 22 HA ILE 22 8.504 -0.244 8.030 189 HB ILE 22 HB ILE 22 6.780 1.101 5.929 190 HG12 ILE 22 HG12 ILE 22 4.998 -0.274 7.379 191 HG13 ILE 22 HG11 ILE 22 6.155 0.089 8.653 192 HG21 ILE 22 HG21 ILE 22 7.729 -1.052 5.255 193 HG22 ILE 22 HG22 ILE 22 5.986 -1.175 5.485 194 HG23 ILE 22 HG23 ILE 22 7.083 -1.804 6.715 195 HD11 ILE 22 HD11 ILE 22 4.403 1.740 8.606 196 HD12 ILE 22 HD12 ILE 22 4.751 2.094 6.913 197 HD13 ILE 22 HD13 ILE 22 5.946 2.469 8.156 198 H ARG 23 HN ARG 23 8.805 2.554 5.936 199 HA ARG 23 HA ARG 23 10.574 1.560 4.011 200 HB2 ARG 23 HB2 ARG 23 9.846 3.621 3.383 201 HB3 ARG 23 HB1 ARG 23 9.683 4.177 5.038 202 HG2 ARG 23 HG2 ARG 23 12.384 3.931 3.791 203 HG3 ARG 23 HG1 ARG 23 11.363 5.323 3.452 204 HD2 ARG 23 HD2 ARG 23 11.222 5.071 6.194 205 HD3 ARG 23 HD1 ARG 23 12.890 4.659 5.825 206 HE ARG 23 HE ARG 23 11.838 7.118 4.660 207 HH11 ARG 23 HH11 ARG 23 13.871 5.592 7.078 208 HH12 ARG 23 HH12 ARG 23 14.621 7.084 7.561 209 HH21 ARG 23 HH21 ARG 23 12.829 9.062 5.282 210 HH22 ARG 23 HH22 ARG 23 14.039 9.046 6.536 211 H ARG 24 HN ARG 24 11.013 2.736 7.232 212 HA ARG 24 HA ARG 24 13.757 2.772 7.462 213 HB2 ARG 24 HB2 ARG 24 12.305 3.640 9.164 214 HB3 ARG 24 HB1 ARG 24 11.609 2.055 9.455 215 HG2 ARG 24 HG2 ARG 24 13.928 1.339 10.163 216 HG3 ARG 24 HG1 ARG 24 14.339 3.057 10.171 217 HD2 ARG 24 HD2 ARG 24 13.684 2.409 12.399 218 HD3 ARG 24 HD1 ARG 24 12.431 3.454 11.715 219 HE ARG 24 HE ARG 24 11.816 0.740 11.208 220 HH11 ARG 24 HH11 ARG 24 11.886 3.059 13.818 221 HH12 ARG 24 HH12 ARG 24 10.618 2.281 14.719 222 HH21 ARG 24 HH21 ARG 24 10.160 -0.299 12.380 223 HH22 ARG 24 HH22 ARG 24 9.633 0.368 13.893 224 H THR 25 HN THR 25 11.517 0.022 8.291 225 HA THR 25 HA THR 25 13.578 -1.856 8.588 226 HB THR 25 HB THR 25 10.734 -2.383 7.701 227 HG1 THR 25 HG1 THR 25 10.196 -2.283 9.876 228 HG21 THR 25 HG21 THR 25 11.034 -4.491 8.910 229 HG22 THR 25 HG22 THR 25 12.683 -4.027 9.328 230 HG23 THR 25 HG23 THR 25 12.249 -4.323 7.645 231 H LEU 26 HN LEU 26 11.910 -0.610 5.797 232 HA LEU 26 HA LEU 26 12.738 -2.494 3.874 233 HB2 LEU 26 HB2 LEU 26 11.620 0.218 3.902 234 HB3 LEU 26 HB1 LEU 26 12.672 -0.080 2.527 235 HG LEU 26 HG LEU 26 10.451 -0.540 1.826 236 HD11 LEU 26 HD11 LEU 26 11.858 -3.137 2.402 237 HD12 LEU 26 HD12 LEU 26 12.127 -2.085 1.013 238 HD13 LEU 26 HD13 LEU 26 10.575 -2.897 1.216 239 HD21 LEU 26 HD21 LEU 26 10.202 -2.372 4.209 240 HD22 LEU 26 HD22 LEU 26 9.000 -2.166 2.935 241 HD23 LEU 26 HD23 LEU 26 9.395 -0.817 4.001 242 H ARG 27 HN ARG 27 14.437 -0.114 5.626 243 HA ARG 27 HA ARG 27 16.599 0.569 5.694 244 HB2 ARG 27 HB2 ARG 27 16.887 -1.953 4.833 245 HB3 ARG 27 HB1 ARG 27 17.451 -1.115 3.395 246 HG2 ARG 27 HG2 ARG 27 19.317 -1.682 4.816 247 HG3 ARG 27 HG1 ARG 27 19.116 0.072 4.759 248 HD2 ARG 27 HD2 ARG 27 18.036 0.070 6.909 249 HD3 ARG 27 HD1 ARG 27 18.020 -1.692 6.946 250 HE ARG 27 HE ARG 27 20.673 -0.691 6.701 251 HH11 ARG 27 HH11 ARG 27 18.070 -1.132 9.022 252 HH12 ARG 27 HH12 ARG 27 19.150 -1.282 10.382 253 HH21 ARG 27 HH21 ARG 27 22.080 -0.886 8.492 254 HH22 ARG 27 HH22 ARG 27 21.419 -1.095 10.087 255 H ILE 28 HN ILE 28 14.470 1.450 3.795 256 HA ILE 28 HA ILE 28 16.139 2.861 1.827 257 HB ILE 28 HB ILE 28 13.179 2.448 1.486 258 HG12 ILE 28 HG12 ILE 28 15.382 0.523 0.675 259 HG13 ILE 28 HG11 ILE 28 14.161 0.225 1.905 260 HG21 ILE 28 HG21 ILE 28 13.924 2.455 -0.947 261 HG22 ILE 28 HG22 ILE 28 15.523 2.925 -0.372 262 HG23 ILE 28 HG23 ILE 28 14.137 3.974 -0.090 263 HD11 ILE 28 HD11 ILE 28 13.679 -0.927 -0.190 264 HD12 ILE 28 HD12 ILE 28 13.619 0.626 -1.027 265 HD13 ILE 28 HD13 ILE 28 12.429 0.247 0.221 266 H ARG 29 HN ARG 29 14.199 4.795 1.131 267 HA ARG 29 HA ARG 29 13.509 6.227 3.512 268 HB2 ARG 29 HB2 ARG 29 15.062 8.010 3.357 269 HB3 ARG 29 HB1 ARG 29 16.009 6.538 3.270 270 HG2 ARG 29 HG2 ARG 29 15.396 8.511 1.101 271 HG3 ARG 29 HG1 ARG 29 16.962 7.959 1.686 272 HD2 ARG 29 HD2 ARG 29 16.394 5.695 0.763 273 HD3 ARG 29 HD1 ARG 29 14.959 6.433 0.027 274 HE ARG 29 HE ARG 29 16.714 7.993 -1.044 275 HH11 ARG 29 HH11 ARG 29 17.277 4.615 -0.286 276 HH12 ARG 29 HH12 ARG 29 18.398 4.367 -1.591 277 HH21 ARG 29 HH21 ARG 29 18.219 7.692 -2.730 278 HH22 ARG 29 HH22 ARG 29 18.934 6.129 -2.990 279 H GLU 30 HN GLU 30 13.758 8.816 2.086 280 HA GLU 30 HA GLU 30 11.254 8.754 0.755 281 HB2 GLU 30 HB2 GLU 30 13.331 10.877 1.174 282 HB3 GLU 30 HB1 GLU 30 11.892 11.169 0.200 283 HG2 GLU 30 HG2 GLU 30 11.375 11.943 2.335 284 HG3 GLU 30 HG1 GLU 30 10.547 10.394 2.166 285 H GLY 31 HN GLY 31 13.071 7.027 -0.473 286 HA2 GLY 31 HA2 GLY 31 12.527 7.890 -3.174 287 HA3 GLY 31 HA1 GLY 31 14.235 7.571 -2.821 288 H ASP 32 HN ASP 32 11.580 5.893 -1.314 289 HA ASP 32 HA ASP 32 12.439 3.351 -2.456 290 HB2 ASP 32 HB2 ASP 32 11.966 3.486 -0.034 291 HB3 ASP 32 HB1 ASP 32 10.313 3.985 -0.399 292 HA PRO 33 HA PRO 33 9.227 3.871 -5.490 293 HB2 PRO 33 HB2 PRO 33 10.326 1.663 -6.883 294 HB3 PRO 33 HB1 PRO 33 10.560 3.387 -7.253 295 HG2 PRO 33 HG2 PRO 33 12.546 1.663 -6.368 296 HG3 PRO 33 HG1 PRO 33 12.612 3.430 -6.238 297 HD2 PRO 33 HD2 PRO 33 11.898 1.395 -4.164 298 HD3 PRO 33 HD1 PRO 33 12.783 2.926 -3.988 299 H LEU 34 HN LEU 34 7.959 2.611 -3.535 300 HA LEU 34 HA LEU 34 7.789 -0.150 -3.874 301 HB2 LEU 34 HB2 LEU 34 5.477 1.417 -2.755 302 HB3 LEU 34 HB1 LEU 34 6.040 -0.183 -2.313 303 HG LEU 34 HG LEU 34 8.183 1.211 -1.540 304 HD11 LEU 34 HD11 LEU 34 5.877 3.140 -1.306 305 HD12 LEU 34 HD12 LEU 34 7.380 3.384 -2.197 306 HD13 LEU 34 HD13 LEU 34 7.403 3.292 -0.437 307 HD21 LEU 34 HD21 LEU 34 5.637 0.931 0.054 308 HD22 LEU 34 HD22 LEU 34 7.256 1.154 0.716 309 HD23 LEU 34 HD23 LEU 34 6.860 -0.320 -0.167 310 H GLU 35 HN GLU 35 5.987 -1.331 -4.456 311 HA GLU 35 HA GLU 35 4.890 -0.406 -7.041 312 HB2 GLU 35 HB2 GLU 35 6.534 -2.168 -7.444 313 HB3 GLU 35 HB1 GLU 35 5.712 -3.210 -6.291 314 HG2 GLU 35 HG2 GLU 35 3.760 -3.341 -7.693 315 HG3 GLU 35 HG1 GLU 35 4.473 -2.198 -8.836 316 H ILE 36 HN ILE 36 2.798 -0.163 -7.020 317 HA ILE 36 HA ILE 36 1.210 -1.312 -4.892 318 HB ILE 36 HB ILE 36 0.579 0.585 -7.169 319 HG12 ILE 36 HG12 ILE 36 0.060 2.130 -5.198 320 HG13 ILE 36 HG11 ILE 36 0.887 0.943 -4.198 321 HG21 ILE 36 HG21 ILE 36 -1.309 -0.389 -5.038 322 HG22 ILE 36 HG22 ILE 36 -1.384 -0.774 -6.758 323 HG23 ILE 36 HG23 ILE 36 -1.644 0.883 -6.213 324 HD11 ILE 36 HD11 ILE 36 2.939 1.300 -5.353 325 HD12 ILE 36 HD12 ILE 36 2.286 2.870 -4.896 326 HD13 ILE 36 HD13 ILE 36 2.146 2.310 -6.558 327 H PHE 37 HN PHE 37 0.627 -3.361 -5.170 328 HA PHE 37 HA PHE 37 -1.068 -3.889 -7.450 329 HB2 PHE 37 HB2 PHE 37 0.139 -5.496 -8.488 330 HB3 PHE 37 HB1 PHE 37 1.503 -4.722 -7.701 331 HD1 PHE 37 HD1 PHE 37 2.631 -5.777 -5.832 332 HD2 PHE 37 HD2 PHE 37 -0.688 -7.654 -7.718 333 HE1 PHE 37 HE1 PHE 37 3.210 -7.901 -4.737 334 HE2 PHE 37 HE2 PHE 37 -0.115 -9.780 -6.623 335 HZ PHE 37 HZ PHE 37 1.838 -9.905 -5.131 336 H VAL 38 HN VAL 38 -2.856 -4.781 -6.761 337 HA VAL 38 HA VAL 38 -3.022 -5.654 -4.012 338 HB VAL 38 HB VAL 38 -4.893 -4.383 -4.677 339 HG11 VAL 38 HG11 VAL 38 -5.106 -6.122 -7.131 340 HG12 VAL 38 HG12 VAL 38 -4.583 -4.438 -7.076 341 HG13 VAL 38 HG13 VAL 38 -6.251 -4.858 -6.684 342 HG21 VAL 38 HG21 VAL 38 -6.823 -5.870 -4.546 343 HG22 VAL 38 HG22 VAL 38 -5.563 -6.367 -3.416 344 HG23 VAL 38 HG23 VAL 38 -5.794 -7.251 -4.926 345 H ASP 39 HN ASP 39 -3.370 -7.646 -3.264 346 HA ASP 39 HA ASP 39 -2.378 -9.757 -4.989 347 HB2 ASP 39 HB2 ASP 39 -1.510 -9.340 -2.659 348 HB3 ASP 39 HB1 ASP 39 -3.085 -9.900 -2.050 349 H ARG 40 HN ARG 40 -5.231 -9.014 -3.103 350 HA ARG 40 HA ARG 40 -6.393 -11.581 -3.892 351 HB2 ARG 40 HB2 ARG 40 -7.342 -11.263 -1.372 352 HB3 ARG 40 HB1 ARG 40 -5.906 -12.199 -1.772 353 HG2 ARG 40 HG2 ARG 40 -5.208 -9.453 -1.534 354 HG3 ARG 40 HG1 ARG 40 -6.086 -9.949 -0.108 355 HD2 ARG 40 HD2 ARG 40 -3.876 -11.630 -1.171 356 HD3 ARG 40 HD1 ARG 40 -3.520 -10.213 -0.189 357 HE ARG 40 HE ARG 40 -5.170 -11.379 1.440 358 HH11 ARG 40 HH11 ARG 40 -2.817 -12.939 -0.638 359 HH12 ARG 40 HH12 ARG 40 -2.496 -14.238 0.485 360 HH21 ARG 40 HH21 ARG 40 -4.755 -13.058 2.919 361 HH22 ARG 40 HH22 ARG 40 -3.595 -14.298 2.523 362 H ASP 41 HN ASP 41 -7.770 -9.337 -1.605 363 HA ASP 41 HA ASP 41 -9.966 -8.900 -3.507 364 HB2 ASP 41 HB2 ASP 41 -9.942 -9.318 -0.539 365 HB3 ASP 41 HB1 ASP 41 -11.268 -8.434 -1.291 366 H GLY 42 HN GLY 42 -8.754 -7.348 -0.559 367 HA2 GLY 42 HA2 GLY 42 -8.910 -4.784 -1.998 368 HA3 GLY 42 HA1 GLY 42 -9.584 -4.958 -0.385 369 H GLU 43 HN GLU 43 -6.813 -6.794 -0.926 370 HA GLU 43 HA GLU 43 -5.292 -4.971 0.769 371 HB2 GLU 43 HB2 GLU 43 -4.227 -7.649 0.042 372 HB3 GLU 43 HB1 GLU 43 -4.167 -6.799 1.585 373 HG2 GLU 43 HG2 GLU 43 -6.778 -7.229 1.493 374 HG3 GLU 43 HG1 GLU 43 -6.262 -8.552 0.450 375 H VAL 44 HN VAL 44 -4.142 -3.563 -0.311 376 HA VAL 44 HA VAL 44 -2.999 -4.211 -2.911 377 HB VAL 44 HB VAL 44 -2.449 -1.637 -1.498 378 HG11 VAL 44 HG11 VAL 44 -1.330 -2.008 -3.571 379 HG12 VAL 44 HG12 VAL 44 -2.578 -0.788 -3.832 380 HG13 VAL 44 HG13 VAL 44 -2.837 -2.447 -4.373 381 HG21 VAL 44 HG21 VAL 44 -4.860 -1.926 -1.210 382 HG22 VAL 44 HG22 VAL 44 -5.040 -2.267 -2.931 383 HG23 VAL 44 HG23 VAL 44 -4.530 -0.665 -2.399 384 H ILE 45 HN ILE 45 -0.892 -4.529 -3.246 385 HA ILE 45 HA ILE 45 0.793 -4.703 -0.834 386 HB ILE 45 HB ILE 45 0.732 -6.350 -3.356 387 HG12 ILE 45 HG12 ILE 45 0.554 -8.237 -1.755 388 HG13 ILE 45 HG11 ILE 45 0.567 -7.091 -0.421 389 HG21 ILE 45 HG21 ILE 45 2.743 -7.517 -2.513 390 HG22 ILE 45 HG22 ILE 45 2.896 -6.284 -1.261 391 HG23 ILE 45 HG23 ILE 45 3.047 -5.838 -2.963 392 HD11 ILE 45 HD11 ILE 45 -1.652 -7.938 -0.892 393 HD12 ILE 45 HD12 ILE 45 -1.549 -7.309 -2.539 394 HD13 ILE 45 HD13 ILE 45 -1.545 -6.196 -1.161 395 H LEU 46 HN LEU 46 2.261 -3.149 -0.811 396 HA LEU 46 HA LEU 46 3.264 -1.986 -3.328 397 HB2 LEU 46 HB2 LEU 46 3.887 -0.713 -0.722 398 HB3 LEU 46 HB1 LEU 46 3.475 0.026 -2.256 399 HG LEU 46 HG LEU 46 1.447 -1.336 -0.498 400 HD11 LEU 46 HD11 LEU 46 2.497 0.523 0.704 401 HD12 LEU 46 HD12 LEU 46 0.835 0.907 0.259 402 HD13 LEU 46 HD13 LEU 46 2.174 1.592 -0.662 403 HD21 LEU 46 HD21 LEU 46 -0.137 -0.012 -1.826 404 HD22 LEU 46 HD22 LEU 46 0.805 -1.114 -2.833 405 HD23 LEU 46 HD23 LEU 46 1.201 0.605 -2.797 406 H LYS 47 HN LYS 47 5.301 -2.750 -3.902 407 HA LYS 47 HA LYS 47 7.136 -3.124 -1.625 408 HB2 LYS 47 HB2 LYS 47 7.766 -5.207 -2.146 409 HB3 LYS 47 HB1 LYS 47 6.175 -5.253 -2.871 410 HG2 LYS 47 HG2 LYS 47 8.653 -4.594 -4.427 411 HG3 LYS 47 HG1 LYS 47 8.060 -6.238 -4.214 412 HD2 LYS 47 HD2 LYS 47 6.648 -3.948 -5.568 413 HD3 LYS 47 HD1 LYS 47 7.294 -5.406 -6.326 414 HE2 LYS 47 HE2 LYS 47 5.545 -6.271 -4.297 415 HE3 LYS 47 HE1 LYS 47 4.721 -4.957 -5.138 416 HZ1 LYS 47 HZ1 LYS 47 5.851 -7.422 -6.343 417 HZ2 LYS 47 HZ2 LYS 47 5.228 -6.123 -7.245 418 HZ3 LYS 47 HZ3 LYS 47 4.215 -7.007 -6.215 419 H LYS 48 HN LYS 48 9.272 -2.897 -1.935 420 HA LYS 48 HA LYS 48 10.184 -0.565 -2.715 421 HB2 LYS 48 HB2 LYS 48 12.449 -1.811 -2.966 422 HB3 LYS 48 HB1 LYS 48 11.585 -1.816 -1.427 423 HG2 LYS 48 HG2 LYS 48 10.526 -3.975 -2.785 424 HG3 LYS 48 HG1 LYS 48 12.240 -4.011 -3.208 425 HD2 LYS 48 HD2 LYS 48 11.175 -3.820 -0.401 426 HD3 LYS 48 HD1 LYS 48 11.676 -5.328 -1.173 427 HE2 LYS 48 HE2 LYS 48 13.927 -4.288 -1.524 428 HE3 LYS 48 HE1 LYS 48 13.384 -2.928 -0.539 429 HZ1 LYS 48 HZ1 LYS 48 14.676 -4.890 0.533 430 HZ2 LYS 48 HZ2 LYS 48 13.162 -5.659 0.541 431 HZ3 LYS 48 HZ3 LYS 48 13.377 -4.189 1.358 432 H TYR 49 HN TYR 49 9.673 -3.015 -5.123 433 HA TYR 49 HA TYR 49 9.681 -2.894 -7.386 434 HB2 TYR 49 HB2 TYR 49 9.046 -0.603 -7.388 435 HB3 TYR 49 HB1 TYR 49 10.681 -0.103 -6.975 436 HD1 TYR 49 HD2 TYR 49 9.343 -2.434 -9.586 437 HD2 TYR 49 HD1 TYR 49 11.607 1.070 -8.741 438 HE1 TYR 49 HE2 TYR 49 9.907 -2.231 -11.969 439 HE2 TYR 49 HE1 TYR 49 12.182 1.276 -11.123 440 HH TYR 49 HH TYR 49 10.656 -0.668 -13.562 441 H SER 50 HN SER 50 12.587 -1.303 -6.073 442 HA SER 50 HA SER 50 14.274 -1.728 -8.213 443 HB2 SER 50 HB2 SER 50 14.667 -0.304 -6.128 444 HB3 SER 50 HB1 SER 50 15.228 -1.782 -5.349 445 HG SER 50 HG SER 50 16.363 -1.309 -7.819 446 HA PRO 51 HA PRO 51 15.289 -6.128 -6.796 447 HB2 PRO 51 HB2 PRO 51 14.679 -7.071 -4.415 448 HB3 PRO 51 HB1 PRO 51 16.024 -5.934 -4.584 449 HG2 PRO 51 HG2 PRO 51 13.237 -5.449 -3.607 450 HG3 PRO 51 HG1 PRO 51 14.768 -4.791 -2.998 451 HD2 PRO 51 HD2 PRO 51 13.007 -3.501 -4.739 452 HD3 PRO 51 HD1 PRO 51 14.700 -3.052 -4.462 453 H ILE 52 HN ILE 52 12.458 -4.781 -7.084 454 HA ILE 52 HA ILE 52 10.266 -5.336 -7.337 455 HB ILE 52 HB ILE 52 10.903 -8.137 -8.074 456 HG12 ILE 52 HG12 ILE 52 11.986 -5.799 -9.672 457 HG13 ILE 52 HG11 ILE 52 12.976 -6.888 -8.702 458 HG21 ILE 52 HG21 ILE 52 9.530 -7.558 -10.011 459 HG22 ILE 52 HG22 ILE 52 9.541 -5.862 -9.528 460 HG23 ILE 52 HG23 ILE 52 8.724 -7.056 -8.524 461 HD11 ILE 52 HD11 ILE 52 13.089 -7.468 -11.045 462 HD12 ILE 52 HD12 ILE 52 11.335 -7.642 -11.113 463 HD13 ILE 52 HD13 ILE 52 12.295 -8.752 -10.135 464 H SER 53 HN SER 53 9.326 -8.224 -7.042 465 HA SER 53 HA SER 53 8.851 -8.036 -4.200 466 HB2 SER 53 HB2 SER 53 7.710 -9.648 -6.432 467 HB3 SER 53 HB1 SER 53 7.556 -10.277 -4.791 468 HG SER 53 HG SER 53 6.587 -8.288 -4.200 469 H GLU 54 HN GLU 54 11.227 -8.348 -3.866 470 HA GLU 54 HA GLU 54 12.877 -9.585 -2.908 471 HB2 GLU 54 HB2 GLU 54 10.583 -10.706 -2.010 472 HB3 GLU 54 HB1 GLU 54 11.286 -12.087 -2.833 473 HG2 GLU 54 HG2 GLU 54 12.931 -10.530 -0.894 474 HG3 GLU 54 HG1 GLU 54 11.733 -11.676 -0.304 475 H LEU 55 HN LEU 55 12.151 -9.667 -5.860 476 HA LEU 55 HA LEU 55 12.911 -10.544 -7.799 477 HB2 LEU 55 HB2 LEU 55 15.095 -11.514 -5.961 478 HB3 LEU 55 HB1 LEU 55 15.161 -11.671 -7.706 479 HG LEU 55 HG LEU 55 14.962 -9.044 -6.228 480 HD11 LEU 55 HD11 LEU 55 17.104 -10.141 -5.817 481 HD12 LEU 55 HD12 LEU 55 17.293 -8.723 -6.849 482 HD13 LEU 55 HD13 LEU 55 17.336 -10.340 -7.554 483 HD21 LEU 55 HD21 LEU 55 15.490 -8.064 -8.405 484 HD22 LEU 55 HD22 LEU 55 13.986 -8.985 -8.466 485 HD23 LEU 55 HD23 LEU 55 15.468 -9.668 -9.136 486 H1 MET 1 HT1 MET 1 -7.777 -8.559 -12.053 487 H2 MET 1 HT2 MET 1 -9.373 -8.287 -12.545 488 H3 MET 1 HT3 MET 1 -9.037 -8.627 -10.916 489 HA MET 1 HA MET 1 -8.209 -6.211 -12.422 490 HB2 MET 1 HB2 MET 1 -10.216 -6.617 -10.196 491 HB3 MET 1 HB1 MET 1 -9.677 -5.044 -10.766 492 HG2 MET 1 HG2 MET 1 -10.610 -5.487 -12.954 493 HG3 MET 1 HG1 MET 1 -11.084 -7.106 -12.443 494 HE1 MET 1 HE1 MET 1 -14.515 -5.234 -12.774 495 HE2 MET 1 HE2 MET 1 -13.534 -6.594 -13.322 496 HE3 MET 1 HE3 MET 1 -13.087 -4.947 -13.768 497 H LYS 2 HN LYS 2 -6.705 -8.280 -10.689 498 HA LYS 2 HA LYS 2 -5.661 -6.312 -8.775 499 HB2 LYS 2 HB2 LYS 2 -4.722 -8.438 -7.601 500 HB3 LYS 2 HB1 LYS 2 -6.398 -7.975 -7.359 501 HG2 LYS 2 HG2 LYS 2 -6.296 -10.329 -7.658 502 HG3 LYS 2 HG1 LYS 2 -7.050 -9.614 -9.078 503 HD2 LYS 2 HD2 LYS 2 -5.503 -11.362 -9.750 504 HD3 LYS 2 HD1 LYS 2 -4.907 -9.792 -10.284 505 HE2 LYS 2 HE2 LYS 2 -3.026 -10.909 -9.431 506 HE3 LYS 2 HE1 LYS 2 -3.499 -9.772 -8.172 507 HZ1 LYS 2 HZ1 LYS 2 -4.620 -11.607 -7.024 508 HZ2 LYS 2 HZ2 LYS 2 -2.964 -11.903 -7.222 509 HZ3 LYS 2 HZ3 LYS 2 -4.091 -12.682 -8.223 510 H ALA 3 HN ALA 3 -3.279 -7.314 -8.112 511 HA ALA 3 HA ALA 3 -1.122 -7.033 -8.754 512 HB1 ALA 3 HB1 ALA 3 -1.937 -8.843 -11.018 513 HB2 ALA 3 HB2 ALA 3 -1.454 -9.368 -9.405 514 HB3 ALA 3 HB3 ALA 3 -0.293 -8.549 -10.451 515 H THR 4 HN THR 4 -1.505 -4.814 -9.169 516 HA THR 4 HA THR 4 -2.030 -4.052 -11.895 517 HB THR 4 HB THR 4 -2.116 -1.731 -10.897 518 HG1 THR 4 HG1 THR 4 -0.976 -2.118 -8.962 519 HG21 THR 4 HG21 THR 4 -4.327 -2.088 -9.942 520 HG22 THR 4 HG22 THR 4 -3.992 -3.810 -9.761 521 HG23 THR 4 HG23 THR 4 -4.122 -3.099 -11.373 522 H GLY 5 HN GLY 5 0.552 -4.012 -9.614 523 HA2 GLY 5 HA2 GLY 5 2.801 -3.633 -9.849 524 HA3 GLY 5 HA1 GLY 5 2.555 -3.989 -11.548 525 H ILE 6 HN ILE 6 1.406 -1.308 -9.530 526 HA ILE 6 HA ILE 6 2.742 0.524 -11.406 527 HB ILE 6 HB ILE 6 0.508 1.140 -11.524 528 HG12 ILE 6 HG12 ILE 6 0.250 3.268 -10.271 529 HG13 ILE 6 HG11 ILE 6 1.646 2.836 -9.290 530 HG21 ILE 6 HG21 ILE 6 -1.032 1.297 -9.635 531 HG22 ILE 6 HG22 ILE 6 0.254 0.782 -8.544 532 HG23 ILE 6 HG23 ILE 6 -0.344 -0.320 -9.784 533 HD11 ILE 6 HD11 ILE 6 1.617 3.402 -12.244 534 HD12 ILE 6 HD12 ILE 6 3.024 2.838 -11.342 535 HD13 ILE 6 HD13 ILE 6 2.308 4.406 -10.966 536 H VAL 7 HN VAL 7 4.589 1.164 -10.678 537 HA VAL 7 HA VAL 7 5.213 1.103 -7.856 538 HB VAL 7 HB VAL 7 6.825 1.636 -10.329 539 HG11 VAL 7 HG11 VAL 7 7.890 1.882 -7.522 540 HG12 VAL 7 HG12 VAL 7 7.488 3.267 -8.538 541 HG13 VAL 7 HG13 VAL 7 8.765 2.150 -9.032 542 HG21 VAL 7 HG21 VAL 7 7.065 -0.378 -8.091 543 HG22 VAL 7 HG22 VAL 7 8.073 -0.309 -9.535 544 HG23 VAL 7 HG23 VAL 7 6.351 -0.678 -9.677 545 H ARG 8 HN ARG 8 5.448 2.809 -6.474 546 HA ARG 8 HA ARG 8 5.119 5.516 -7.514 547 HB2 ARG 8 HB2 ARG 8 3.031 5.347 -6.546 548 HB3 ARG 8 HB1 ARG 8 3.509 4.033 -5.491 549 HG2 ARG 8 HG2 ARG 8 2.849 6.091 -4.267 550 HG3 ARG 8 HG1 ARG 8 4.507 5.585 -3.916 551 HD2 ARG 8 HD2 ARG 8 5.413 7.281 -5.213 552 HD3 ARG 8 HD1 ARG 8 3.887 7.608 -6.034 553 HE ARG 8 HE ARG 8 4.176 8.185 -3.169 554 HH11 ARG 8 HH11 ARG 8 3.580 9.219 -6.449 555 HH12 ARG 8 HH12 ARG 8 3.356 10.893 -6.037 556 HH21 ARG 8 HH21 ARG 8 3.893 10.403 -2.600 557 HH22 ARG 8 HH22 ARG 8 3.540 11.566 -3.838 558 H ARG 9 HN ARG 9 7.097 6.408 -7.096 559 HA ARG 9 HA ARG 9 8.676 5.527 -4.848 560 HB2 ARG 9 HB2 ARG 9 9.612 6.460 -7.050 561 HB3 ARG 9 HB1 ARG 9 9.126 8.039 -6.434 562 HG2 ARG 9 HG2 ARG 9 10.666 8.019 -4.748 563 HG3 ARG 9 HG1 ARG 9 10.898 6.268 -4.827 564 HD2 ARG 9 HD2 ARG 9 12.038 6.450 -6.923 565 HD3 ARG 9 HD1 ARG 9 11.604 8.149 -7.077 566 HE ARG 9 HE ARG 9 13.112 8.548 -5.148 567 HH11 ARG 9 HH11 ARG 9 13.480 5.682 -7.133 568 HH12 ARG 9 HH12 ARG 9 15.170 5.483 -6.756 569 HH21 ARG 9 HH21 ARG 9 15.354 8.332 -4.711 570 HH22 ARG 9 HH22 ARG 9 16.236 7.007 -5.412 571 H ILE 10 HN ILE 10 7.925 5.957 -2.978 572 HA ILE 10 HA ILE 10 6.087 7.290 -1.830 573 HB ILE 10 HB ILE 10 7.843 8.117 -0.016 574 HG12 ILE 10 HG12 ILE 10 9.933 6.928 -0.064 575 HG13 ILE 10 HG11 ILE 10 9.412 5.947 -1.430 576 HG21 ILE 10 HG21 ILE 10 6.330 6.470 0.520 577 HG22 ILE 10 HG22 ILE 10 7.881 5.647 0.696 578 HG23 ILE 10 HG23 ILE 10 6.898 5.391 -0.753 579 HD11 ILE 10 HD11 ILE 10 10.309 8.794 -1.408 580 HD12 ILE 10 HD12 ILE 10 9.384 8.119 -2.751 581 HD13 ILE 10 HD13 ILE 10 10.948 7.425 -2.319 582 H ASP 11 HN ASP 11 8.604 9.405 -0.942 583 HA ASP 11 HA ASP 11 8.772 11.469 -2.577 584 HB2 ASP 11 HB2 ASP 11 7.060 13.096 -2.137 585 HB3 ASP 11 HB1 ASP 11 6.237 11.621 -2.589 586 H ASP 12 HN ASP 12 8.287 13.661 -0.726 587 HA ASP 12 HA ASP 12 10.566 13.132 0.969 588 HB2 ASP 12 HB2 ASP 12 10.313 15.319 -0.132 589 HB3 ASP 12 HB1 ASP 12 8.835 15.610 0.780 590 H LEU 13 HN LEU 13 7.192 12.941 1.231 591 HA LEU 13 HA LEU 13 7.239 12.954 4.150 592 HB2 LEU 13 HB2 LEU 13 5.450 14.114 2.762 593 HB3 LEU 13 HB1 LEU 13 4.872 12.517 2.338 594 HG LEU 13 HG LEU 13 3.652 13.728 4.202 595 HD11 LEU 13 HD11 LEU 13 3.404 11.682 5.555 596 HD12 LEU 13 HD12 LEU 13 4.789 10.988 4.710 597 HD13 LEU 13 HD13 LEU 13 3.317 11.377 3.819 598 HD21 LEU 13 HD21 LEU 13 6.129 12.957 5.727 599 HD22 LEU 13 HD22 LEU 13 4.640 13.595 6.425 600 HD23 LEU 13 HD23 LEU 13 5.613 14.601 5.351 601 H GLY 14 HN GLY 14 5.920 10.799 1.587 602 HA2 GLY 14 HA2 GLY 14 7.000 8.489 1.757 603 HA3 GLY 14 HA1 GLY 14 6.420 8.548 3.418 604 H ARG 15 HN ARG 15 4.493 9.961 0.881 605 HA ARG 15 HA ARG 15 2.321 8.170 1.515 606 HB2 ARG 15 HB2 ARG 15 2.555 10.281 -0.626 607 HB3 ARG 15 HB1 ARG 15 1.088 9.388 -0.252 608 HG2 ARG 15 HG2 ARG 15 0.658 10.597 1.596 609 HG3 ARG 15 HG1 ARG 15 2.376 10.856 1.967 610 HD2 ARG 15 HD2 ARG 15 2.531 12.361 0.053 611 HD3 ARG 15 HD1 ARG 15 0.816 12.126 -0.267 612 HE ARG 15 HE ARG 15 0.924 13.028 2.328 613 HH11 ARG 15 HH11 ARG 15 2.115 14.202 -0.752 614 HH12 ARG 15 HH12 ARG 15 1.925 15.880 -0.334 615 HH21 ARG 15 HH21 ARG 15 0.664 15.249 2.879 616 HH22 ARG 15 HH22 ARG 15 1.107 16.468 1.724 617 H VAL 16 HN VAL 16 1.440 6.608 0.269 618 HA VAL 16 HA VAL 16 2.713 6.099 -2.343 619 HB VAL 16 HB VAL 16 1.221 4.180 -0.526 620 HG11 VAL 16 HG11 VAL 16 1.765 2.470 -2.184 621 HG12 VAL 16 HG12 VAL 16 2.473 3.709 -3.221 622 HG13 VAL 16 HG13 VAL 16 0.742 3.732 -2.874 623 HG21 VAL 16 HG21 VAL 16 4.113 4.245 -1.385 624 HG22 VAL 16 HG22 VAL 16 3.360 3.011 -0.376 625 HG23 VAL 16 HG23 VAL 16 3.499 4.666 0.215 626 H VAL 17 HN VAL 17 1.541 7.195 -3.718 627 HA VAL 17 HA VAL 17 -1.160 7.947 -3.222 628 HB VAL 17 HB VAL 17 0.368 8.088 -5.830 629 HG11 VAL 17 HG11 VAL 17 -2.119 9.539 -4.929 630 HG12 VAL 17 HG12 VAL 17 -2.041 8.262 -6.146 631 HG13 VAL 17 HG13 VAL 17 -1.254 9.813 -6.442 632 HG21 VAL 17 HG21 VAL 17 0.635 10.506 -5.156 633 HG22 VAL 17 HG22 VAL 17 1.592 9.334 -4.249 634 HG23 VAL 17 HG23 VAL 17 0.126 10.023 -3.534 635 H ILE 18 HN ILE 18 -2.678 6.445 -3.194 636 HA ILE 18 HA ILE 18 -2.613 4.186 -5.020 637 HB ILE 18 HB ILE 18 -4.358 4.910 -2.660 638 HG12 ILE 18 HG12 ILE 18 -2.150 4.005 -2.141 639 HG13 ILE 18 HG11 ILE 18 -3.402 2.843 -1.716 640 HG21 ILE 18 HG21 ILE 18 -5.808 3.893 -4.324 641 HG22 ILE 18 HG22 ILE 18 -5.511 2.740 -3.020 642 HG23 ILE 18 HG23 ILE 18 -4.667 2.570 -4.562 643 HD11 ILE 18 HD11 ILE 18 -1.492 1.754 -2.737 644 HD12 ILE 18 HD12 ILE 18 -1.674 2.755 -4.177 645 HD13 ILE 18 HD13 ILE 18 -2.924 1.585 -3.751 646 HA PRO 19 HA PRO 19 -5.118 6.538 -7.946 647 HB2 PRO 19 HB2 PRO 19 -5.022 3.753 -9.009 648 HB3 PRO 19 HB1 PRO 19 -4.872 5.291 -9.876 649 HG2 PRO 19 HG2 PRO 19 -2.692 3.916 -9.383 650 HG3 PRO 19 HG1 PRO 19 -2.704 5.663 -9.047 651 HD2 PRO 19 HD2 PRO 19 -2.993 3.374 -7.131 652 HD3 PRO 19 HD1 PRO 19 -2.035 4.865 -6.965 653 H LYS 20 HN LYS 20 -7.264 6.626 -8.227 654 HA LYS 20 HA LYS 20 -8.911 5.258 -6.423 655 HB2 LYS 20 HB2 LYS 20 -10.816 6.297 -7.764 656 HB3 LYS 20 HB1 LYS 20 -9.697 7.380 -6.958 657 HG2 LYS 20 HG2 LYS 20 -9.454 6.655 -9.863 658 HG3 LYS 20 HG1 LYS 20 -10.407 8.024 -9.288 659 HD2 LYS 20 HD2 LYS 20 -7.460 7.594 -8.812 660 HD3 LYS 20 HD1 LYS 20 -8.154 8.711 -9.993 661 HE2 LYS 20 HE2 LYS 20 -8.503 8.850 -6.993 662 HE3 LYS 20 HE1 LYS 20 -7.442 9.878 -7.954 663 HZ1 LYS 20 HZ1 LYS 20 -9.435 11.071 -7.495 664 HZ2 LYS 20 HZ2 LYS 20 -10.410 9.799 -8.032 665 HZ3 LYS 20 HZ3 LYS 20 -9.464 10.660 -9.140 666 H GLU 21 HN GLU 21 -7.706 4.280 -9.419 667 HA GLU 21 HA GLU 21 -9.860 2.723 -10.341 668 HB2 GLU 21 HB2 GLU 21 -8.182 1.547 -11.706 669 HB3 GLU 21 HB1 GLU 21 -8.071 3.296 -11.823 670 HG2 GLU 21 HG2 GLU 21 -6.228 3.192 -10.136 671 HG3 GLU 21 HG1 GLU 21 -6.268 1.439 -10.309 672 H ILE 22 HN ILE 22 -7.652 2.117 -7.706 673 HA ILE 22 HA ILE 22 -8.211 -0.765 -7.850 674 HB ILE 22 HB ILE 22 -6.518 0.605 -5.742 675 HG12 ILE 22 HG12 ILE 22 -4.635 -0.612 -7.121 676 HG13 ILE 22 HG11 ILE 22 -5.780 -0.455 -8.449 677 HG21 ILE 22 HG21 ILE 22 -6.766 -2.290 -6.585 678 HG22 ILE 22 HG22 ILE 22 -7.407 -1.573 -5.105 679 HG23 ILE 22 HG23 ILE 22 -5.665 -1.670 -5.354 680 HD11 ILE 22 HD11 ILE 22 -4.183 1.361 -8.460 681 HD12 ILE 22 HD12 ILE 22 -4.642 1.805 -6.813 682 HD13 ILE 22 HD13 ILE 22 -5.808 1.966 -8.134 683 H ARG 23 HN ARG 23 -8.576 2.072 -5.807 684 HA ARG 23 HA ARG 23 -10.343 1.087 -3.873 685 HB2 ARG 23 HB2 ARG 23 -9.692 3.202 -3.327 686 HB3 ARG 23 HB1 ARG 23 -9.554 3.703 -5.000 687 HG2 ARG 23 HG2 ARG 23 -12.251 3.378 -3.759 688 HG3 ARG 23 HG1 ARG 23 -11.296 4.824 -3.446 689 HD2 ARG 23 HD2 ARG 23 -11.096 4.586 -6.154 690 HD3 ARG 23 HD1 ARG 23 -12.721 3.986 -5.855 691 HE ARG 23 HE ARG 23 -11.972 6.554 -4.674 692 HH11 ARG 23 HH11 ARG 23 -13.784 4.802 -7.122 693 HH12 ARG 23 HH12 ARG 23 -14.706 6.190 -7.597 694 HH21 ARG 23 HH21 ARG 23 -13.183 8.363 -5.295 695 HH22 ARG 23 HH22 ARG 23 -14.380 8.214 -6.564 696 H ARG 24 HN ARG 24 -10.766 2.070 -7.153 697 HA ARG 24 HA ARG 24 -13.522 2.029 -7.392 698 HB2 ARG 24 HB2 ARG 24 -12.226 2.912 -9.169 699 HB3 ARG 24 HB1 ARG 24 -11.295 1.433 -9.323 700 HG2 ARG 24 HG2 ARG 24 -13.447 0.315 -10.023 701 HG3 ARG 24 HG1 ARG 24 -14.119 1.944 -10.168 702 HD2 ARG 24 HD2 ARG 24 -13.297 1.219 -12.327 703 HD3 ARG 24 HD1 ARG 24 -12.282 2.529 -11.715 704 HE ARG 24 HE ARG 24 -10.956 0.355 -10.862 705 HH11 ARG 24 HH11 ARG 24 -12.215 1.245 -13.999 706 HH12 ARG 24 HH12 ARG 24 -11.060 0.295 -14.881 707 HH21 ARG 24 HH21 ARG 24 -9.416 -0.866 -12.002 708 HH22 ARG 24 HH22 ARG 24 -9.445 -0.908 -13.740 709 H THR 25 HN THR 25 -11.186 -0.687 -8.150 710 HA THR 25 HA THR 25 -13.168 -2.627 -8.421 711 HB THR 25 HB THR 25 -10.350 -2.986 -7.369 712 HG1 THR 25 HG1 THR 25 -9.899 -3.347 -9.648 713 HG21 THR 25 HG21 THR 25 -10.518 -5.229 -8.334 714 HG22 THR 25 HG22 THR 25 -12.173 -4.894 -8.841 715 HG23 THR 25 HG23 THR 25 -11.776 -4.970 -7.124 716 H LEU 26 HN LEU 26 -11.573 -1.278 -5.625 717 HA LEU 26 HA LEU 26 -12.452 -3.088 -3.660 718 HB2 LEU 26 HB2 LEU 26 -11.259 -0.418 -3.768 719 HB3 LEU 26 HB1 LEU 26 -12.351 -0.622 -2.405 720 HG LEU 26 HG LEU 26 -10.185 -1.140 -1.614 721 HD11 LEU 26 HD11 LEU 26 -11.573 -3.744 -2.208 722 HD12 LEU 26 HD12 LEU 26 -11.978 -2.642 -0.893 723 HD13 LEU 26 HD13 LEU 26 -10.406 -3.441 -0.920 724 HD21 LEU 26 HD21 LEU 26 -9.900 -3.048 -3.934 725 HD22 LEU 26 HD22 LEU 26 -8.716 -2.774 -2.654 726 HD23 LEU 26 HD23 LEU 26 -9.105 -1.481 -3.789 727 H ARG 27 HN ARG 27 -14.097 -0.737 -5.491 728 HA ARG 27 HA ARG 27 -16.233 0.002 -5.577 729 HB2 ARG 27 HB2 ARG 27 -16.562 -2.525 -4.830 730 HB3 ARG 27 HB1 ARG 27 -17.118 -1.769 -3.344 731 HG2 ARG 27 HG2 ARG 27 -18.976 -2.257 -4.845 732 HG3 ARG 27 HG1 ARG 27 -18.798 -0.519 -4.586 733 HD2 ARG 27 HD2 ARG 27 -17.647 -0.296 -6.714 734 HD3 ARG 27 HD1 ARG 27 -17.741 -2.038 -6.971 735 HE ARG 27 HE ARG 27 -20.334 -1.323 -6.660 736 HH11 ARG 27 HH11 ARG 27 -17.765 -0.088 -8.701 737 HH12 ARG 27 HH12 ARG 27 -18.832 0.356 -9.997 738 HH21 ARG 27 HH21 ARG 27 -21.738 -0.777 -8.377 739 HH22 ARG 27 HH22 ARG 27 -21.086 -0.048 -9.820 740 H ILE 28 HN ILE 28 -14.175 0.936 -3.663 741 HA ILE 28 HA ILE 28 -15.906 2.255 -1.674 742 HB ILE 28 HB ILE 28 -12.911 2.054 -1.414 743 HG12 ILE 28 HG12 ILE 28 -14.973 0.052 -0.440 744 HG13 ILE 28 HG11 ILE 28 -13.826 -0.233 -1.741 745 HG21 ILE 28 HG21 ILE 28 -13.468 2.247 0.988 746 HG22 ILE 28 HG22 ILE 28 -15.182 2.313 0.578 747 HG23 ILE 28 HG23 ILE 28 -14.103 3.609 0.064 748 HD11 ILE 28 HD11 ILE 28 -13.134 -1.290 0.328 749 HD12 ILE 28 HD12 ILE 28 -13.122 0.278 1.135 750 HD13 ILE 28 HD13 ILE 28 -11.987 -0.050 -0.175 751 H ARG 29 HN ARG 29 -13.919 4.263 -1.058 752 HA ARG 29 HA ARG 29 -13.538 5.791 -3.447 753 HB2 ARG 29 HB2 ARG 29 -15.199 7.437 -3.177 754 HB3 ARG 29 HB1 ARG 29 -16.039 5.917 -2.935 755 HG2 ARG 29 HG2 ARG 29 -15.247 7.954 -0.874 756 HG3 ARG 29 HG1 ARG 29 -16.864 7.409 -1.308 757 HD2 ARG 29 HD2 ARG 29 -16.314 5.180 -0.397 758 HD3 ARG 29 HD1 ARG 29 -14.728 5.798 0.088 759 HE ARG 29 HE ARG 29 -16.452 7.521 1.271 760 HH11 ARG 29 HH11 ARG 29 -16.186 4.035 1.269 761 HH12 ARG 29 HH12 ARG 29 -16.879 3.846 2.851 762 HH21 ARG 29 HH21 ARG 29 -17.395 7.286 3.346 763 HH22 ARG 29 HH22 ARG 29 -17.587 5.690 4.023 764 H GLU 30 HN GLU 30 -13.655 8.341 -2.221 765 HA GLU 30 HA GLU 30 -11.180 8.414 -0.860 766 HB2 GLU 30 HB2 GLU 30 -13.307 10.460 -1.420 767 HB3 GLU 30 HB1 GLU 30 -11.867 10.850 -0.482 768 HG2 GLU 30 HG2 GLU 30 -11.272 11.462 -2.618 769 HG3 GLU 30 HG1 GLU 30 -10.573 9.852 -2.433 770 H GLY 31 HN GLY 31 -12.788 6.712 0.467 771 HA2 GLY 31 HA2 GLY 31 -12.438 7.707 3.126 772 HA3 GLY 31 HA1 GLY 31 -14.127 7.383 2.724 773 H ASP 32 HN ASP 32 -11.382 5.672 1.446 774 HA ASP 32 HA ASP 32 -12.285 3.164 2.650 775 HB2 ASP 32 HB2 ASP 32 -11.794 3.094 0.286 776 HB3 ASP 32 HB1 ASP 32 -10.193 3.793 0.557 777 HA PRO 33 HA PRO 33 -9.104 3.653 5.713 778 HB2 PRO 33 HB2 PRO 33 -10.097 1.420 7.078 779 HB3 PRO 33 HB1 PRO 33 -10.462 3.120 7.424 780 HG2 PRO 33 HG2 PRO 33 -12.270 1.201 6.465 781 HG3 PRO 33 HG1 PRO 33 -12.519 2.953 6.487 782 HD2 PRO 33 HD2 PRO 33 -11.730 1.186 4.214 783 HD3 PRO 33 HD1 PRO 33 -12.640 2.714 4.216 784 H LEU 34 HN LEU 34 -7.623 2.627 3.920 785 HA LEU 34 HA LEU 34 -7.396 -0.162 4.079 786 HB2 LEU 34 HB2 LEU 34 -5.119 1.614 3.210 787 HB3 LEU 34 HB1 LEU 34 -5.447 -0.032 2.720 788 HG LEU 34 HG LEU 34 -7.619 1.036 1.687 789 HD11 LEU 34 HD11 LEU 34 -5.811 3.364 2.183 790 HD12 LEU 34 HD12 LEU 34 -7.572 3.254 2.291 791 HD13 LEU 34 HD13 LEU 34 -6.790 3.316 0.715 792 HD21 LEU 34 HD21 LEU 34 -4.885 1.340 0.451 793 HD22 LEU 34 HD22 LEU 34 -6.420 1.310 -0.418 794 HD23 LEU 34 HD23 LEU 34 -5.866 -0.126 0.444 795 H GLU 35 HN GLU 35 -5.731 -1.363 4.816 796 HA GLU 35 HA GLU 35 -4.628 -0.416 7.389 797 HB2 GLU 35 HB2 GLU 35 -6.278 -2.210 7.765 798 HB3 GLU 35 HB1 GLU 35 -5.372 -3.259 6.683 799 HG2 GLU 35 HG2 GLU 35 -3.478 -3.236 8.173 800 HG3 GLU 35 HG1 GLU 35 -4.315 -2.121 9.255 801 H ILE 36 HN ILE 36 -2.559 -0.102 7.305 802 HA ILE 36 HA ILE 36 -0.991 -1.276 5.177 803 HB ILE 36 HB ILE 36 -0.444 0.837 7.274 804 HG12 ILE 36 HG12 ILE 36 -0.063 2.230 5.157 805 HG13 ILE 36 HG11 ILE 36 -0.834 0.908 4.292 806 HG21 ILE 36 HG21 ILE 36 1.473 -0.214 5.206 807 HG22 ILE 36 HG22 ILE 36 1.605 -0.396 6.955 808 HG23 ILE 36 HG23 ILE 36 1.737 1.202 6.223 809 HD11 ILE 36 HD11 ILE 36 -2.021 2.780 6.305 810 HD12 ILE 36 HD12 ILE 36 -2.786 1.243 5.901 811 HD13 ILE 36 HD13 ILE 36 -2.534 2.457 4.648 812 H PHE 37 HN PHE 37 -0.233 -3.229 5.554 813 HA PHE 37 HA PHE 37 1.552 -3.523 7.799 814 HB2 PHE 37 HB2 PHE 37 0.568 -5.231 8.924 815 HB3 PHE 37 HB1 PHE 37 -0.894 -4.494 8.295 816 HD1 PHE 37 HD1 PHE 37 -2.054 -5.524 6.352 817 HD2 PHE 37 HD2 PHE 37 1.257 -7.400 8.253 818 HE1 PHE 37 HE1 PHE 37 -2.662 -7.667 5.305 819 HE2 PHE 37 HE2 PHE 37 0.654 -9.539 7.212 820 HZ PHE 37 HZ PHE 37 -1.309 -9.676 5.733 821 H VAL 38 HN VAL 38 3.360 -4.477 7.164 822 HA VAL 38 HA VAL 38 3.489 -5.407 4.436 823 HB VAL 38 HB VAL 38 5.376 -4.146 4.927 824 HG11 VAL 38 HG11 VAL 38 5.585 -5.572 7.575 825 HG12 VAL 38 HG12 VAL 38 5.068 -3.905 7.309 826 HG13 VAL 38 HG13 VAL 38 6.736 -4.378 6.978 827 HG21 VAL 38 HG21 VAL 38 7.318 -5.614 4.951 828 HG22 VAL 38 HG22 VAL 38 6.058 -6.280 3.910 829 HG23 VAL 38 HG23 VAL 38 6.320 -6.952 5.519 830 H ASP 39 HN ASP 39 3.967 -7.403 3.723 831 HA ASP 39 HA ASP 39 2.938 -9.517 5.415 832 HB2 ASP 39 HB2 ASP 39 2.244 -9.152 3.023 833 HB3 ASP 39 HB1 ASP 39 3.866 -9.661 2.550 834 H ARG 40 HN ARG 40 5.901 -8.925 3.537 835 HA ARG 40 HA ARG 40 7.207 -10.995 5.131 836 HB2 ARG 40 HB2 ARG 40 8.352 -11.674 2.889 837 HB3 ARG 40 HB1 ARG 40 6.759 -12.302 3.293 838 HG2 ARG 40 HG2 ARG 40 6.302 -9.903 1.930 839 HG3 ARG 40 HG1 ARG 40 7.594 -10.724 1.046 840 HD2 ARG 40 HD2 ARG 40 4.916 -11.892 1.792 841 HD3 ARG 40 HD1 ARG 40 5.415 -11.378 0.182 842 HE ARG 40 HE ARG 40 7.170 -13.173 0.380 843 HH11 ARG 40 HH11 ARG 40 4.169 -13.355 2.191 844 HH12 ARG 40 HH12 ARG 40 4.148 -15.100 2.204 845 HH21 ARG 40 HH21 ARG 40 7.130 -15.472 0.418 846 HH22 ARG 40 HH22 ARG 40 5.810 -16.288 1.209 847 H ASP 41 HN ASP 41 8.492 -9.378 2.260 848 HA ASP 41 HA ASP 41 10.744 -8.506 3.895 849 HB2 ASP 41 HB2 ASP 41 11.242 -9.810 1.873 850 HB3 ASP 41 HB1 ASP 41 10.431 -8.597 0.889 851 H GLY 42 HN GLY 42 9.395 -7.052 0.974 852 HA2 GLY 42 HA2 GLY 42 9.269 -4.496 2.446 853 HA3 GLY 42 HA1 GLY 42 9.942 -4.612 0.827 854 H GLU 43 HN GLU 43 7.291 -6.635 1.442 855 HA GLU 43 HA GLU 43 5.657 -5.048 -0.368 856 HB2 GLU 43 HB2 GLU 43 4.487 -7.527 0.664 857 HB3 GLU 43 HB1 GLU 43 4.698 -6.990 -0.995 858 HG2 GLU 43 HG2 GLU 43 6.934 -8.113 0.646 859 HG3 GLU 43 HG1 GLU 43 5.869 -9.117 -0.334 860 H VAL 44 HN VAL 44 4.551 -3.492 0.661 861 HA VAL 44 HA VAL 44 3.388 -4.012 3.287 862 HB VAL 44 HB VAL 44 2.732 -1.536 1.764 863 HG11 VAL 44 HG11 VAL 44 3.297 -2.156 4.660 864 HG12 VAL 44 HG12 VAL 44 1.722 -1.879 3.915 865 HG13 VAL 44 HG13 VAL 44 2.887 -0.560 4.032 866 HG21 VAL 44 HG21 VAL 44 5.135 -1.745 1.382 867 HG22 VAL 44 HG22 VAL 44 5.405 -2.000 3.105 868 HG23 VAL 44 HG23 VAL 44 4.810 -0.445 2.530 869 H ILE 45 HN ILE 45 1.287 -4.384 3.627 870 HA ILE 45 HA ILE 45 -0.409 -4.678 1.232 871 HB ILE 45 HB ILE 45 -0.313 -6.207 3.824 872 HG12 ILE 45 HG12 ILE 45 -0.214 -8.162 2.278 873 HG13 ILE 45 HG11 ILE 45 -0.222 -7.046 0.916 874 HG21 ILE 45 HG21 ILE 45 -2.353 -7.390 3.137 875 HG22 ILE 45 HG22 ILE 45 -2.543 -6.270 1.789 876 HG23 ILE 45 HG23 ILE 45 -2.650 -5.680 3.451 877 HD11 ILE 45 HD11 ILE 45 1.996 -7.936 1.435 878 HD12 ILE 45 HD12 ILE 45 1.913 -7.168 3.022 879 HD13 ILE 45 HD13 ILE 45 1.909 -6.177 1.556 880 H LEU 46 HN LEU 46 -1.939 -3.174 1.145 881 HA LEU 46 HA LEU 46 -2.975 -1.952 3.625 882 HB2 LEU 46 HB2 LEU 46 -3.596 -0.735 0.997 883 HB3 LEU 46 HB1 LEU 46 -3.159 0.033 2.510 884 HG LEU 46 HG LEU 46 -1.159 -1.387 0.765 885 HD11 LEU 46 HD11 LEU 46 -2.211 0.434 -0.487 886 HD12 LEU 46 HD12 LEU 46 -0.543 0.825 -0.069 887 HD13 LEU 46 HD13 LEU 46 -1.872 1.547 0.839 888 HD21 LEU 46 HD21 LEU 46 0.449 -0.046 2.028 889 HD22 LEU 46 HD22 LEU 46 -0.504 -1.081 3.093 890 HD23 LEU 46 HD23 LEU 46 -0.868 0.641 2.980 891 H LYS 47 HN LYS 47 -4.999 -2.770 4.189 892 HA LYS 47 HA LYS 47 -6.835 -3.161 1.914 893 HB2 LYS 47 HB2 LYS 47 -7.373 -5.271 2.370 894 HB3 LYS 47 HB1 LYS 47 -5.824 -5.287 3.183 895 HG2 LYS 47 HG2 LYS 47 -8.342 -4.638 4.649 896 HG3 LYS 47 HG1 LYS 47 -7.832 -6.302 4.370 897 HD2 LYS 47 HD2 LYS 47 -6.471 -4.160 5.960 898 HD3 LYS 47 HD1 LYS 47 -6.990 -5.769 6.478 899 HE2 LYS 47 HE2 LYS 47 -5.271 -6.450 4.539 900 HE3 LYS 47 HE1 LYS 47 -4.551 -4.921 5.047 901 HZ1 LYS 47 HZ1 LYS 47 -5.098 -7.303 6.719 902 HZ2 LYS 47 HZ2 LYS 47 -4.647 -5.798 7.364 903 HZ3 LYS 47 HZ3 LYS 47 -3.591 -6.636 6.338 904 H LYS 48 HN LYS 48 -9.074 -3.123 2.372 905 HA LYS 48 HA LYS 48 -9.769 -0.639 3.172 906 HB2 LYS 48 HB2 LYS 48 -12.126 -1.561 3.155 907 HB3 LYS 48 HB1 LYS 48 -11.143 -1.697 1.700 908 HG2 LYS 48 HG2 LYS 48 -10.485 -4.008 2.703 909 HG3 LYS 48 HG1 LYS 48 -11.980 -3.806 3.626 910 HD2 LYS 48 HD2 LYS 48 -11.775 -3.542 0.650 911 HD3 LYS 48 HD1 LYS 48 -12.246 -5.041 1.462 912 HE2 LYS 48 HE2 LYS 48 -14.080 -3.660 2.562 913 HE3 LYS 48 HE1 LYS 48 -13.693 -2.405 1.388 914 HZ1 LYS 48 HZ1 LYS 48 -14.587 -5.169 0.766 915 HZ2 LYS 48 HZ2 LYS 48 -14.162 -4.006 -0.387 916 HZ3 LYS 48 HZ3 LYS 48 -15.514 -3.758 0.605 917 H TYR 49 HN TYR 49 -9.247 -3.050 5.500 918 HA TYR 49 HA TYR 49 -9.260 -2.894 7.750 919 HB2 TYR 49 HB2 TYR 49 -8.778 -0.570 7.662 920 HB3 TYR 49 HB1 TYR 49 -10.444 -0.202 7.254 921 HD1 TYR 49 HD2 TYR 49 -8.844 -2.203 9.999 922 HD2 TYR 49 HD1 TYR 49 -11.490 0.955 8.932 923 HE1 TYR 49 HE2 TYR 49 -9.367 -1.845 12.376 924 HE2 TYR 49 HE1 TYR 49 -12.021 1.321 11.303 925 HH TYR 49 HH TYR 49 -10.200 -0.079 13.833 926 H SER 50 HN SER 50 -12.278 -1.524 6.477 927 HA SER 50 HA SER 50 -13.893 -1.964 8.661 928 HB2 SER 50 HB2 SER 50 -14.439 -0.608 6.594 929 HB3 SER 50 HB1 SER 50 -14.842 -2.127 5.794 930 HG SER 50 HG SER 50 -16.039 -1.787 8.261 931 HA PRO 51 HA PRO 51 -14.767 -6.449 7.372 932 HB2 PRO 51 HB2 PRO 51 -14.141 -7.439 5.018 933 HB3 PRO 51 HB1 PRO 51 -15.515 -6.329 5.152 934 HG2 PRO 51 HG2 PRO 51 -12.709 -5.761 4.244 935 HG3 PRO 51 HG1 PRO 51 -14.242 -5.256 3.504 936 HD2 PRO 51 HD2 PRO 51 -12.732 -3.680 5.182 937 HD3 PRO 51 HD1 PRO 51 -14.479 -3.490 4.934 938 H ILE 52 HN ILE 52 -11.998 -4.954 7.560 939 HA ILE 52 HA ILE 52 -9.776 -5.391 7.805 940 HB ILE 52 HB ILE 52 -10.313 -8.182 8.655 941 HG12 ILE 52 HG12 ILE 52 -11.394 -5.793 10.168 942 HG13 ILE 52 HG11 ILE 52 -12.374 -6.998 9.335 943 HG21 ILE 52 HG21 ILE 52 -8.857 -7.571 10.492 944 HG22 ILE 52 HG22 ILE 52 -8.945 -5.871 10.035 945 HG23 ILE 52 HG23 ILE 52 -8.129 -7.024 8.980 946 HD11 ILE 52 HD11 ILE 52 -10.580 -7.502 11.702 947 HD12 ILE 52 HD12 ILE 52 -11.553 -8.714 10.869 948 HD13 ILE 52 HD13 ILE 52 -12.341 -7.389 11.726 949 H SER 53 HN SER 53 -8.741 -8.268 7.623 950 HA SER 53 HA SER 53 -8.198 -8.158 4.809 951 HB2 SER 53 HB2 SER 53 -7.223 -9.895 7.062 952 HB3 SER 53 HB1 SER 53 -6.864 -10.310 5.388 953 HG SER 53 HG SER 53 -5.691 -8.492 5.152 954 H GLU 54 HN GLU 54 -10.704 -8.514 4.590 955 HA GLU 54 HA GLU 54 -12.338 -9.803 3.661 956 HB2 GLU 54 HB2 GLU 54 -10.193 -10.720 2.486 957 HB3 GLU 54 HB1 GLU 54 -10.425 -12.120 3.517 958 HG2 GLU 54 HG2 GLU 54 -12.725 -11.191 1.886 959 HG3 GLU 54 HG1 GLU 54 -11.388 -11.992 1.065 960 H LEU 55 HN LEU 55 -11.597 -9.793 6.551 961 HA LEU 55 HA LEU 55 -12.177 -10.703 8.531 962 HB2 LEU 55 HB2 LEU 55 -14.281 -12.035 6.831 963 HB3 LEU 55 HB1 LEU 55 -14.261 -12.073 8.584 964 HG LEU 55 HG LEU 55 -14.501 -9.578 6.901 965 HD11 LEU 55 HD11 LEU 55 -16.802 -9.510 7.712 966 HD12 LEU 55 HD12 LEU 55 -16.563 -11.049 8.537 967 HD13 LEU 55 HD13 LEU 55 -16.498 -10.974 6.776 968 HD21 LEU 55 HD21 LEU 55 -13.369 -9.166 9.018 969 HD22 LEU 55 HD22 LEU 55 -14.672 -9.982 9.886 970 HD23 LEU 55 HD23 LEU 55 -14.991 -8.472 9.032
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