NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582387 | 2mtl | 25165 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 12.212 9.046 14.363 2 H2 MET 1 2H MET 1 11.094 7.887 14.872 3 H3 MET 1 3H MET 1 10.559 9.371 14.271 4 HA MET 1 HA MET 1 11.460 8.877 12.115 5 HB2 MET 1 2HB MET 1 12.293 6.588 11.617 6 HB3 MET 1 3HB MET 1 13.308 7.413 12.789 7 HG2 MET 1 2HG MET 1 12.385 6.096 14.602 8 HG3 MET 1 3HG MET 1 11.202 5.361 13.516 9 HE1 MET 1 3HE MET 1 12.954 3.512 15.358 10 HE2 MET 1 1HE MET 1 13.422 2.281 14.189 11 HE3 MET 1 2HE MET 1 11.790 2.948 14.156 12 H GLY 2 H GLY 2 9.946 8.208 10.629 13 HA2 GLY 2 2HA GLY 2 7.832 6.325 11.295 14 HA3 GLY 2 3HA GLY 2 7.326 8.000 11.102 15 H GLU 3 H GLU 3 8.780 5.238 9.500 16 HA GLU 3 HA GLU 3 7.722 6.094 6.900 17 HB2 GLU 3 2HB GLU 3 10.052 6.948 6.935 18 HB3 GLU 3 3HB GLU 3 10.660 5.345 7.326 19 HG2 GLU 3 2HG GLU 3 9.899 4.505 5.135 20 HG3 GLU 3 3HG GLU 3 9.234 6.093 4.741 21 H MET 4 H MET 4 7.072 4.383 5.664 22 HA MET 4 HA MET 4 7.398 1.625 6.698 23 HB2 MET 4 2HB MET 4 5.268 2.537 7.540 24 HB3 MET 4 3HB MET 4 4.812 3.060 5.921 25 HG2 MET 4 2HG MET 4 4.676 0.707 5.215 26 HG3 MET 4 3HG MET 4 5.130 0.196 6.846 27 HE1 MET 4 3HE MET 4 1.397 -0.796 6.915 28 HE2 MET 4 1HE MET 4 3.046 -1.279 7.309 29 HE3 MET 4 2HE MET 4 2.573 -1.036 5.625 30 H ASP 5 H ASP 5 7.283 -0.054 5.069 31 HA ASP 5 HA ASP 5 7.333 0.834 2.254 32 HB2 ASP 5 2HB ASP 5 8.649 -1.626 3.530 33 HB3 ASP 5 3HB ASP 5 8.789 -1.132 1.851 34 H ILE 6 H ILE 6 5.408 0.195 1.319 35 HA ILE 6 HA ILE 6 4.044 -2.269 2.290 36 HB ILE 6 HB ILE 6 2.720 0.130 0.913 37 HG12 ILE 6 2HG1 ILE 6 2.731 -0.535 3.892 38 HG13 ILE 6 3HG1 ILE 6 3.620 0.788 3.148 39 HG21 ILE 6 1HG2 ILE 6 0.604 -0.908 1.663 40 HG22 ILE 6 2HG2 ILE 6 1.500 -2.255 2.367 41 HG23 ILE 6 3HG2 ILE 6 1.514 -2.002 0.620 42 HD11 ILE 6 3HD1 ILE 6 1.641 1.613 4.192 43 HD12 ILE 6 1HD1 ILE 6 0.630 0.494 3.280 44 HD13 ILE 6 2HD1 ILE 6 1.492 1.790 2.445 45 H ARG 7 H ARG 7 4.451 -3.833 0.818 46 HA ARG 7 HA ARG 7 4.820 -3.074 -2.025 47 HB2 ARG 7 2HB ARG 7 6.909 -3.798 -0.871 48 HB3 ARG 7 3HB ARG 7 6.163 -5.349 -0.485 49 HG2 ARG 7 2HG ARG 7 5.933 -5.799 -2.930 50 HG3 ARG 7 3HG ARG 7 6.760 -4.284 -3.270 51 HD2 ARG 7 2HD ARG 7 7.971 -6.581 -1.707 52 HD3 ARG 7 3HD ARG 7 8.235 -6.289 -3.424 53 HE ARG 7 HE ARG 7 9.074 -4.418 -1.272 54 HH11 ARG 7 1HH1 ARG 7 9.670 -5.903 -4.420 55 HH12 ARG 7 2HH1 ARG 7 11.191 -5.096 -4.639 56 HH21 ARG 7 1HH2 ARG 7 11.072 -3.388 -1.569 57 HH22 ARG 7 2HH2 ARG 7 11.993 -3.663 -3.019 58 H PHE 8 H PHE 8 3.381 -3.893 -3.383 59 HA PHE 8 HA PHE 8 1.656 -6.172 -2.623 60 HB2 PHE 8 2HB PHE 8 1.226 -3.862 -4.576 61 HB3 PHE 8 3HB PHE 8 0.192 -5.284 -4.550 62 HD1 PHE 8 HD2 PHE 8 -1.374 -5.683 -2.703 63 HD2 PHE 8 HD1 PHE 8 1.104 -2.195 -2.755 64 HE1 PHE 8 HE2 PHE 8 -2.777 -4.659 -0.963 65 HE2 PHE 8 HE1 PHE 8 -0.304 -1.183 -1.013 66 HZ PHE 8 HZ PHE 8 -2.243 -2.406 -0.114 67 H ARG 9 H ARG 9 1.910 -7.996 -3.714 68 HA ARG 9 HA ARG 9 3.174 -8.075 -6.388 69 HB2 ARG 9 2HB ARG 9 3.497 -9.916 -3.983 70 HB3 ARG 9 3HB ARG 9 3.693 -10.573 -5.602 71 HG2 ARG 9 2HG ARG 9 5.452 -8.797 -6.019 72 HG3 ARG 9 3HG ARG 9 5.337 -8.371 -4.313 73 HD2 ARG 9 2HD ARG 9 6.217 -10.477 -3.615 74 HD3 ARG 9 3HD ARG 9 5.962 -11.204 -5.206 75 HE ARG 9 HE ARG 9 7.876 -8.989 -4.904 76 HH11 ARG 9 1HH1 ARG 9 7.361 -12.401 -5.641 77 HH12 ARG 9 2HH1 ARG 9 8.955 -12.633 -6.280 78 HH21 ARG 9 1HH2 ARG 9 9.931 -9.291 -5.807 79 HH22 ARG 9 2HH2 ARG 9 10.414 -10.858 -6.371 80 H GLY 10 H GLY 10 2.019 -9.121 -7.945 81 HA2 GLY 10 2HA GLY 10 0.015 -11.101 -7.520 82 HA3 GLY 10 3HA GLY 10 -0.744 -9.522 -7.725 83 H ASP 11 H ASP 11 -0.790 -11.942 -9.438 84 HA ASP 11 HA ASP 11 0.856 -11.605 -11.751 85 HB2 ASP 11 2HB ASP 11 -0.154 -13.773 -11.058 86 HB3 ASP 11 3HB ASP 11 -1.755 -13.145 -11.404 87 H ASP 12 H ASP 12 -2.132 -10.196 -10.747 88 HA ASP 12 HA ASP 12 -2.720 -9.073 -13.415 89 HB2 ASP 12 2HB ASP 12 -4.630 -10.154 -12.270 90 HB3 ASP 12 3HB ASP 12 -4.409 -9.112 -10.870 91 H LEU 13 H LEU 13 -1.494 -7.313 -13.726 92 HA LEU 13 HA LEU 13 -0.418 -5.600 -11.771 93 HB2 LEU 13 2HB LEU 13 0.528 -5.799 -14.029 94 HB3 LEU 13 3HB LEU 13 -0.922 -5.099 -14.726 95 HG LEU 13 HG LEU 13 -0.402 -2.925 -13.584 96 HD11 LEU 13 1HD1 LEU 13 0.891 -3.737 -11.674 97 HD12 LEU 13 2HD1 LEU 13 1.796 -2.531 -12.582 98 HD13 LEU 13 3HD1 LEU 13 2.201 -4.242 -12.747 99 HD21 LEU 13 3HD2 LEU 13 1.831 -3.956 -15.358 100 HD22 LEU 13 1HD2 LEU 13 1.441 -2.260 -15.053 101 HD23 LEU 13 2HD2 LEU 13 0.291 -3.287 -15.906 102 H GLU 14 H GLU 14 -3.545 -5.616 -13.348 103 HA GLU 14 HA GLU 14 -4.302 -2.916 -12.830 104 HB2 GLU 14 2HB GLU 14 -6.056 -5.370 -13.264 105 HB3 GLU 14 3HB GLU 14 -6.666 -3.720 -13.150 106 HG2 GLU 14 2HG GLU 14 -5.154 -3.161 -15.139 107 HG3 GLU 14 3HG GLU 14 -4.905 -4.897 -15.313 108 H ALA 15 H ALA 15 -4.687 -5.946 -10.983 109 HA ALA 15 HA ALA 15 -6.233 -4.956 -8.842 110 HB1 ALA 15 3HB ALA 15 -5.395 -6.954 -7.623 111 HB2 ALA 15 1HB ALA 15 -4.210 -7.226 -8.908 112 HB3 ALA 15 2HB ALA 15 -5.936 -7.346 -9.254 113 H LEU 16 H LEU 16 -2.767 -4.991 -9.450 114 HA LEU 16 HA LEU 16 -1.891 -3.970 -6.945 115 HB2 LEU 16 2HB LEU 16 -0.515 -3.758 -9.654 116 HB3 LEU 16 3HB LEU 16 0.255 -3.572 -8.086 117 HG LEU 16 HG LEU 16 -0.915 -6.156 -9.202 118 HD11 LEU 16 1HD1 LEU 16 1.412 -6.942 -9.302 119 HD12 LEU 16 2HD1 LEU 16 1.979 -5.358 -8.766 120 HD13 LEU 16 3HD1 LEU 16 1.159 -5.524 -10.320 121 HD21 LEU 16 3HD2 LEU 16 -1.193 -6.076 -6.773 122 HD22 LEU 16 1HD2 LEU 16 0.522 -5.710 -6.570 123 HD23 LEU 16 2HD2 LEU 16 0.019 -7.268 -7.230 124 H GLU 17 H GLU 17 -2.988 -2.490 -9.966 125 HA GLU 17 HA GLU 17 -2.162 0.195 -9.456 126 HB2 GLU 17 2HB GLU 17 -4.316 -0.905 -11.315 127 HB3 GLU 17 3HB GLU 17 -3.856 0.793 -11.268 128 HG2 GLU 17 2HG GLU 17 -1.572 0.212 -11.979 129 HG3 GLU 17 3HG GLU 17 -2.009 -1.496 -12.025 130 H LYS 18 H LYS 18 -5.246 -1.521 -8.849 131 HA LYS 18 HA LYS 18 -6.607 0.856 -7.923 132 HB2 LYS 18 2HB LYS 18 -7.376 -2.086 -7.846 133 HB3 LYS 18 3HB LYS 18 -8.346 -0.857 -7.049 134 HG2 LYS 18 2HG LYS 18 -9.382 -1.286 -9.145 135 HG3 LYS 18 3HG LYS 18 -8.599 0.291 -9.291 136 HD2 LYS 18 2HD LYS 18 -6.693 -0.796 -10.461 137 HD3 LYS 18 3HD LYS 18 -7.523 -2.351 -10.330 138 HE2 LYS 18 2HE LYS 18 -7.792 -1.377 -12.565 139 HE3 LYS 18 3HE LYS 18 -9.346 -1.505 -11.740 140 HZ1 LYS 18 3HZ LYS 18 -7.725 0.978 -11.879 141 HZ2 LYS 18 1HZ LYS 18 -9.291 0.827 -11.261 142 HZ3 LYS 18 2HZ LYS 18 -9.009 0.619 -12.917 143 H ALA 19 H ALA 19 -4.919 -1.891 -6.365 144 HA ALA 19 HA ALA 19 -5.382 -1.184 -3.671 145 HB1 ALA 19 3HB ALA 19 -2.958 -2.520 -4.917 146 HB2 ALA 19 1HB ALA 19 -4.412 -3.341 -4.351 147 HB3 ALA 19 2HB ALA 19 -3.357 -2.519 -3.197 148 H LEU 20 H LEU 20 -2.768 -0.331 -5.911 149 HA LEU 20 HA LEU 20 -1.204 1.417 -4.446 150 HB2 LEU 20 2HB LEU 20 -0.567 0.612 -6.643 151 HB3 LEU 20 3HB LEU 20 -1.957 1.375 -7.388 152 HG LEU 20 HG LEU 20 -0.965 3.609 -6.966 153 HD11 LEU 20 1HD1 LEU 20 0.322 3.130 -4.951 154 HD12 LEU 20 2HD1 LEU 20 1.340 3.841 -6.199 155 HD13 LEU 20 3HD1 LEU 20 1.428 2.107 -5.874 156 HD21 LEU 20 3HD2 LEU 20 -0.562 2.472 -9.103 157 HD22 LEU 20 1HD2 LEU 20 0.891 1.712 -8.444 158 HD23 LEU 20 2HD2 LEU 20 0.815 3.466 -8.641 159 H LYS 21 H LYS 21 -4.006 2.176 -6.484 160 HA LYS 21 HA LYS 21 -3.977 4.971 -6.315 161 HB2 LYS 21 2HB LYS 21 -5.179 3.563 -7.996 162 HB3 LYS 21 3HB LYS 21 -6.333 3.085 -6.772 163 HG2 LYS 21 2HG LYS 21 -6.002 6.007 -7.454 164 HG3 LYS 21 3HG LYS 21 -6.915 4.961 -8.531 165 HD2 LYS 21 2HD LYS 21 -7.534 5.561 -5.620 166 HD3 LYS 21 3HD LYS 21 -8.436 6.110 -7.032 167 HE2 LYS 21 2HE LYS 21 -9.011 3.738 -7.556 168 HE3 LYS 21 3HE LYS 21 -8.167 3.233 -6.087 169 HZ1 LYS 21 3HZ LYS 21 -10.511 3.410 -5.656 170 HZ2 LYS 21 1HZ LYS 21 -10.553 5.001 -6.228 171 HZ3 LYS 21 2HZ LYS 21 -9.713 4.635 -4.811 172 H GLU 22 H GLU 22 -5.548 2.519 -4.335 173 HA GLU 22 HA GLU 22 -6.850 4.305 -2.546 174 HB2 GLU 22 2HB GLU 22 -6.178 1.353 -2.438 175 HB3 GLU 22 3HB GLU 22 -6.865 2.170 -1.040 176 HG2 GLU 22 2HG GLU 22 -8.151 2.026 -3.779 177 HG3 GLU 22 3HG GLU 22 -8.576 1.020 -2.395 178 H MET 23 H MET 23 -3.694 2.517 -2.295 179 HA MET 23 HA MET 23 -3.210 3.357 0.385 180 HB2 MET 23 2HB MET 23 -1.169 2.430 -1.682 181 HB3 MET 23 3HB MET 23 -0.870 2.588 0.048 182 HG2 MET 23 2HG MET 23 -2.729 0.647 -1.316 183 HG3 MET 23 3HG MET 23 -1.254 0.275 -0.434 184 HE1 MET 23 3HE MET 23 -2.437 0.982 3.287 185 HE2 MET 23 1HE MET 23 -1.616 2.123 2.221 186 HE3 MET 23 2HE MET 23 -1.100 0.436 2.270 187 H ILE 24 H ILE 24 -2.459 4.902 -2.692 188 HA ILE 24 HA ILE 24 -0.872 7.042 -1.672 189 HB ILE 24 HB ILE 24 -2.666 6.945 -4.151 190 HG12 ILE 24 2HG1 ILE 24 0.358 6.582 -3.879 191 HG13 ILE 24 3HG1 ILE 24 -0.801 5.304 -4.220 192 HG21 ILE 24 1HG2 ILE 24 -0.563 9.023 -3.442 193 HG22 ILE 24 2HG2 ILE 24 -2.307 9.287 -3.488 194 HG23 ILE 24 3HG2 ILE 24 -1.430 8.927 -4.975 195 HD11 ILE 24 3HD1 ILE 24 -1.325 6.343 -6.366 196 HD12 ILE 24 1HD1 ILE 24 0.392 5.976 -6.216 197 HD13 ILE 24 2HD1 ILE 24 -0.170 7.636 -6.027 198 H ARG 25 H ARG 25 -4.355 6.712 -2.384 199 HA ARG 25 HA ARG 25 -5.374 9.147 -1.518 200 HB2 ARG 25 2HB ARG 25 -6.759 7.565 -2.717 201 HB3 ARG 25 3HB ARG 25 -6.533 6.337 -1.485 202 HG2 ARG 25 2HG ARG 25 -7.871 7.808 0.097 203 HG3 ARG 25 3HG ARG 25 -8.231 8.840 -1.289 204 HD2 ARG 25 2HD ARG 25 -9.290 6.926 -2.447 205 HD3 ARG 25 3HD ARG 25 -8.908 5.884 -1.069 206 HE ARG 25 HE ARG 25 -10.467 8.176 -0.317 207 HH11 ARG 25 1HH1 ARG 25 -10.763 4.912 -1.653 208 HH12 ARG 25 2HH1 ARG 25 -12.410 4.729 -1.136 209 HH21 ARG 25 1HH2 ARG 25 -12.626 7.910 0.352 210 HH22 ARG 25 2HH2 ARG 25 -13.465 6.432 0.000 211 H GLN 26 H GLN 26 -4.499 6.286 0.398 212 HA GLN 26 HA GLN 26 -5.684 7.229 2.849 213 HB2 GLN 26 2HB GLN 26 -3.553 5.069 2.693 214 HB3 GLN 26 3HB GLN 26 -4.798 5.275 3.911 215 HG2 GLN 26 2HG GLN 26 -5.036 4.134 1.139 216 HG3 GLN 26 3HG GLN 26 -5.456 3.390 2.671 217 HE21 GLN 26 1HE2 GLN 26 -7.038 3.616 0.247 218 HE22 GLN 26 2HE2 GLN 26 -8.498 4.435 0.668 219 H ALA 27 H ALA 27 -2.374 7.065 1.519 220 HA ALA 27 HA ALA 27 -0.983 8.268 3.657 221 HB1 ALA 27 3HB ALA 27 0.144 7.097 1.813 222 HB2 ALA 27 1HB ALA 27 0.785 8.728 2.000 223 HB3 ALA 27 2HB ALA 27 -0.340 8.365 0.686 224 H ARG 28 H ARG 28 -2.905 9.641 1.066 225 HA ARG 28 HA ARG 28 -2.123 12.380 1.429 226 HB2 ARG 28 2HB ARG 28 -4.494 11.135 -0.025 227 HB3 ARG 28 3HB ARG 28 -4.150 12.863 -0.028 228 HG2 ARG 28 2HG ARG 28 -1.981 12.428 -1.148 229 HG3 ARG 28 3HG ARG 28 -2.338 10.701 -1.154 230 HD2 ARG 28 2HD ARG 28 -2.842 11.650 -3.340 231 HD3 ARG 28 3HD ARG 28 -4.344 11.139 -2.567 232 HE ARG 28 HE ARG 28 -4.111 13.781 -1.898 233 HH11 ARG 28 1HH1 ARG 28 -4.149 12.099 -4.999 234 HH12 ARG 28 2HH1 ARG 28 -4.845 13.439 -5.849 235 HH21 ARG 28 1HH2 ARG 28 -5.012 15.517 -3.015 236 HH22 ARG 28 2HH2 ARG 28 -5.337 15.389 -4.718 237 H LYS 29 H LYS 29 -4.842 10.364 2.621 238 HA LYS 29 HA LYS 29 -6.287 12.563 3.787 239 HB2 LYS 29 2HB LYS 29 -7.836 10.967 4.651 240 HB3 LYS 29 3HB LYS 29 -7.314 10.308 3.107 241 HG2 LYS 29 2HG LYS 29 -5.740 8.812 4.318 242 HG3 LYS 29 3HG LYS 29 -6.358 9.431 5.845 243 HD2 LYS 29 2HD LYS 29 -8.613 8.546 5.260 244 HD3 LYS 29 3HD LYS 29 -7.950 7.896 3.754 245 HE2 LYS 29 2HE LYS 29 -6.374 6.498 5.090 246 HE3 LYS 29 3HE LYS 29 -7.125 7.099 6.570 247 HZ1 LYS 29 3HZ LYS 29 -7.980 4.944 5.929 248 HZ2 LYS 29 1HZ LYS 29 -8.487 5.548 4.437 249 HZ3 LYS 29 2HZ LYS 29 -9.210 6.100 5.860 250 H PHE 30 H PHE 30 -3.844 10.299 4.940 251 HA PHE 30 HA PHE 30 -3.850 11.226 7.685 252 HB2 PHE 30 2HB PHE 30 -1.937 9.446 6.112 253 HB3 PHE 30 3HB PHE 30 -1.717 9.825 7.818 254 HD1 PHE 30 HD1 PHE 30 -4.346 9.574 8.999 255 HD2 PHE 30 HD2 PHE 30 -2.549 7.177 5.949 256 HE1 PHE 30 HE1 PHE 30 -5.732 7.659 9.670 257 HE2 PHE 30 HE2 PHE 30 -3.947 5.266 6.630 258 HZ PHE 30 HZ PHE 30 -5.537 5.511 8.492 259 H ALA 31 H ALA 31 -2.767 12.548 4.831 260 HA ALA 31 HA ALA 31 -1.369 14.144 4.146 261 HB1 ALA 31 3HB ALA 31 -2.673 15.481 5.743 262 HB2 ALA 31 1HB ALA 31 -1.013 16.065 5.604 263 HB3 ALA 31 2HB ALA 31 -1.502 15.119 7.011 264 H GLY 32 H GLY 32 0.153 12.469 3.757 265 HA2 GLY 32 2HA GLY 32 2.735 12.951 5.104 266 HA3 GLY 32 3HA GLY 32 2.157 11.297 4.895 267 H THR 33 H THR 33 4.306 11.260 3.694 268 HA THR 33 HA THR 33 4.172 12.328 0.950 269 HB THR 33 HB THR 33 6.502 11.176 2.564 270 HG1 THR 33 HG1 THR 33 5.539 13.770 2.111 271 HG21 THR 33 3HG2 THR 33 6.537 12.432 -0.209 272 HG22 THR 33 1HG2 THR 33 6.846 10.733 0.159 273 HG23 THR 33 2HG2 THR 33 7.962 11.978 0.726 274 H VAL 34 H VAL 34 4.151 10.826 -0.809 275 HA VAL 34 HA VAL 34 4.246 7.957 -0.188 276 HB VAL 34 HB VAL 34 1.875 8.550 -0.099 277 HG11 VAL 34 1HG1 VAL 34 2.128 9.610 -2.927 278 HG12 VAL 34 2HG1 VAL 34 1.864 10.573 -1.473 279 HG13 VAL 34 3HG1 VAL 34 0.624 9.439 -2.014 280 HG21 VAL 34 3HG2 VAL 34 2.446 6.338 -0.974 281 HG22 VAL 34 1HG2 VAL 34 2.529 6.979 -2.618 282 HG23 VAL 34 2HG2 VAL 34 0.988 6.948 -1.757 283 H THR 35 H THR 35 5.417 6.895 -1.572 284 HA THR 35 HA THR 35 5.949 7.845 -4.332 285 HB THR 35 HB THR 35 8.010 6.603 -2.419 286 HG1 THR 35 HG1 THR 35 7.403 9.285 -3.067 287 HG21 THR 35 3HG2 THR 35 8.498 6.127 -4.808 288 HG22 THR 35 1HG2 THR 35 9.684 7.234 -4.113 289 HG23 THR 35 2HG2 THR 35 8.414 7.853 -5.168 290 H TYR 36 H TYR 36 6.424 5.966 -5.807 291 HA TYR 36 HA TYR 36 6.068 3.274 -4.758 292 HB2 TYR 36 2HB TYR 36 4.123 2.699 -6.124 293 HB3 TYR 36 3HB TYR 36 3.729 4.011 -5.027 294 HD1 TYR 36 HD2 TYR 36 3.537 6.373 -5.946 295 HD2 TYR 36 HD1 TYR 36 3.878 2.966 -8.506 296 HE1 TYR 36 HE2 TYR 36 2.673 7.697 -7.822 297 HE2 TYR 36 HE1 TYR 36 3.008 4.294 -10.380 298 HH TYR 36 HH TYR 36 1.746 6.265 -10.823 299 H THR 37 H THR 37 6.694 1.628 -6.147 300 HA THR 37 HA THR 37 7.895 2.392 -8.751 301 HB THR 37 HB THR 37 8.993 0.276 -6.838 302 HG1 THR 37 HG1 THR 37 9.772 2.988 -7.284 303 HG21 THR 37 3HG2 THR 37 9.568 -0.141 -9.211 304 HG22 THR 37 1HG2 THR 37 10.995 0.341 -8.291 305 HG23 THR 37 2HG2 THR 37 10.198 1.502 -9.354 306 H LEU 38 H LEU 38 6.258 1.654 -10.075 307 HA LEU 38 HA LEU 38 5.230 -1.071 -9.942 308 HB2 LEU 38 2HB LEU 38 4.814 1.249 -11.872 309 HB3 LEU 38 3HB LEU 38 4.189 -0.352 -12.228 310 HG LEU 38 HG LEU 38 3.408 1.296 -9.791 311 HD11 LEU 38 1HD1 LEU 38 1.241 1.614 -10.923 312 HD12 LEU 38 2HD1 LEU 38 1.874 0.824 -12.369 313 HD13 LEU 38 3HD1 LEU 38 2.566 2.353 -11.820 314 HD21 LEU 38 3HD2 LEU 38 2.290 -1.323 -10.843 315 HD22 LEU 38 1HD2 LEU 38 1.634 -0.387 -9.495 316 HD23 LEU 38 2HD2 LEU 38 3.242 -1.101 -9.368 317 H ASP 39 H ASP 39 6.575 -2.672 -10.574 318 HA ASP 39 HA ASP 39 8.021 -2.450 -13.122 319 HB2 ASP 39 2HB ASP 39 9.564 -1.822 -11.155 320 HB3 ASP 39 3HB ASP 39 9.406 -3.485 -10.607 321 H GLY 40 H GLY 40 6.705 -3.906 -14.092 322 HA2 GLY 40 2HA GLY 40 6.047 -5.955 -14.849 323 HA3 GLY 40 3HA GLY 40 7.091 -6.707 -13.660 324 H ASN 41 H ASN 41 6.195 -7.525 -11.822 325 HA ASN 41 HA ASN 41 3.311 -7.095 -11.271 326 HB2 ASN 41 2HB ASN 41 4.862 -9.721 -11.182 327 HB3 ASN 41 3HB ASN 41 3.234 -9.513 -10.534 328 HD21 ASN 41 1HD2 ASN 41 1.519 -9.146 -11.989 329 HD22 ASN 41 2HD2 ASN 41 1.640 -9.556 -13.656 330 H ASP 42 H ASP 42 6.102 -6.198 -10.202 331 HA ASP 42 HA ASP 42 5.471 -6.566 -7.328 332 HB2 ASP 42 2HB ASP 42 7.685 -7.535 -8.039 333 HB3 ASP 42 3HB ASP 42 8.180 -5.949 -8.594 334 H LEU 43 H LEU 43 4.905 -4.792 -6.284 335 HA LEU 43 HA LEU 43 5.554 -2.073 -7.269 336 HB2 LEU 43 2HB LEU 43 3.239 -2.354 -7.825 337 HB3 LEU 43 3HB LEU 43 2.910 -3.270 -6.365 338 HG LEU 43 HG LEU 43 3.188 -1.156 -5.022 339 HD11 LEU 43 1HD1 LEU 43 3.104 1.028 -6.150 340 HD12 LEU 43 2HD1 LEU 43 3.325 0.228 -7.706 341 HD13 LEU 43 3HD1 LEU 43 4.598 0.154 -6.488 342 HD21 LEU 43 3HD2 LEU 43 1.000 -0.239 -5.565 343 HD22 LEU 43 1HD2 LEU 43 0.973 -2.000 -5.661 344 HD23 LEU 43 2HD2 LEU 43 1.028 -1.038 -7.141 345 H GLU 44 H GLU 44 6.800 -1.090 -5.654 346 HA GLU 44 HA GLU 44 5.948 -1.604 -2.843 347 HB2 GLU 44 2HB GLU 44 8.241 -2.392 -3.127 348 HB3 GLU 44 3HB GLU 44 8.755 -0.817 -3.731 349 HG2 GLU 44 2HG GLU 44 8.415 0.229 -1.597 350 HG3 GLU 44 3HG GLU 44 7.527 -1.152 -0.964 351 H ILE 45 H ILE 45 4.866 -0.095 -2.071 352 HA ILE 45 HA ILE 45 4.992 2.734 -2.866 353 HB ILE 45 HB ILE 45 3.063 1.322 -0.941 354 HG12 ILE 45 2HG1 ILE 45 2.570 1.918 -3.895 355 HG13 ILE 45 3HG1 ILE 45 3.025 0.337 -3.275 356 HG21 ILE 45 1HG2 ILE 45 1.570 3.243 -1.321 357 HG22 ILE 45 2HG2 ILE 45 2.772 3.990 -2.376 358 HG23 ILE 45 3HG2 ILE 45 3.120 3.772 -0.659 359 HD11 ILE 45 3HD1 ILE 45 0.490 1.832 -2.627 360 HD12 ILE 45 1HD1 ILE 45 0.958 0.263 -1.961 361 HD13 ILE 45 2HD1 ILE 45 0.665 0.438 -3.690 362 H ARG 46 H ARG 46 6.309 4.066 -1.619 363 HA ARG 46 HA ARG 46 7.051 3.239 1.116 364 HB2 ARG 46 2HB ARG 46 8.494 5.262 -0.658 365 HB3 ARG 46 3HB ARG 46 9.046 4.590 0.870 366 HG2 ARG 46 2HG ARG 46 8.826 2.282 -0.537 367 HG3 ARG 46 3HG ARG 46 9.113 3.399 -1.871 368 HD2 ARG 46 2HD ARG 46 11.240 2.517 -1.168 369 HD3 ARG 46 3HD ARG 46 11.166 4.208 -0.652 370 HE ARG 46 HE ARG 46 10.689 1.887 1.125 371 HH11 ARG 46 1HH1 ARG 46 11.960 5.168 0.727 372 HH12 ARG 46 2HH1 ARG 46 12.497 5.264 2.379 373 HH21 ARG 46 1HH2 ARG 46 11.363 2.053 3.256 374 HH22 ARG 46 2HH2 ARG 46 12.158 3.502 3.808 375 H ILE 47 H ILE 47 5.722 4.220 2.525 376 HA ILE 47 HA ILE 47 4.801 6.989 2.040 377 HB ILE 47 HB ILE 47 3.629 4.935 3.978 378 HG12 ILE 47 2HG1 ILE 47 2.636 5.852 1.232 379 HG13 ILE 47 3HG1 ILE 47 3.275 4.260 1.615 380 HG21 ILE 47 1HG2 ILE 47 3.277 7.282 4.708 381 HG22 ILE 47 2HG2 ILE 47 1.759 6.525 4.230 382 HG23 ILE 47 3HG2 ILE 47 2.556 7.662 3.141 383 HD11 ILE 47 3HD1 ILE 47 0.882 4.192 1.421 384 HD12 ILE 47 1HD1 ILE 47 0.703 5.443 2.653 385 HD13 ILE 47 2HD1 ILE 47 1.353 3.860 3.087 386 H THR 48 H THR 48 5.867 8.506 3.085 387 HA THR 48 HA THR 48 7.553 7.869 5.432 388 HB THR 48 HB THR 48 7.935 10.041 3.309 389 HG1 THR 48 HG1 THR 48 9.467 7.656 3.501 390 HG21 THR 48 3HG2 THR 48 9.931 8.977 5.351 391 HG22 THR 48 1HG2 THR 48 9.076 10.516 5.484 392 HG23 THR 48 2HG2 THR 48 10.215 10.251 4.164 393 H GLY 49 H GLY 49 7.666 9.458 7.109 394 HA2 GLY 49 2HA GLY 49 7.260 11.499 8.176 395 HA3 GLY 49 3HA GLY 49 6.040 11.899 6.982 396 H VAL 50 H VAL 50 4.615 9.357 7.247 397 HA VAL 50 HA VAL 50 2.858 10.006 9.381 398 HB VAL 50 HB VAL 50 1.696 7.857 8.829 399 HG11 VAL 50 1HG1 VAL 50 2.401 9.546 6.391 400 HG12 VAL 50 2HG1 VAL 50 1.139 9.898 7.574 401 HG13 VAL 50 3HG1 VAL 50 0.999 8.479 6.538 402 HG21 VAL 50 3HG2 VAL 50 2.458 6.449 6.948 403 HG22 VAL 50 1HG2 VAL 50 3.648 6.460 8.251 404 HG23 VAL 50 2HG2 VAL 50 3.925 7.420 6.798 405 HA PRO 51 HA PRO 51 5.303 8.091 12.690 406 HB2 PRO 51 2HB PRO 51 3.468 8.271 14.731 407 HB3 PRO 51 3HB PRO 51 4.344 9.681 14.105 408 HG2 PRO 51 2HG PRO 51 1.572 8.750 13.432 409 HG3 PRO 51 3HG PRO 51 2.139 10.389 13.826 410 HD2 PRO 51 2HD PRO 51 1.730 9.617 11.267 411 HD3 PRO 51 3HD PRO 51 3.051 10.731 11.701 412 H GLU 52 H GLU 52 5.021 6.300 14.398 413 HA GLU 52 HA GLU 52 4.620 3.899 13.040 414 HB2 GLU 52 2HB GLU 52 6.157 4.095 14.926 415 HB3 GLU 52 3HB GLU 52 4.829 4.444 16.025 416 HG2 GLU 52 2HG GLU 52 5.671 2.157 16.313 417 HG3 GLU 52 3HG GLU 52 3.989 2.173 15.800 418 H GLN 53 H GLN 53 2.494 5.471 15.436 419 HA GLN 53 HA GLN 53 0.453 3.612 15.646 420 HB2 GLN 53 2HB GLN 53 -1.045 5.576 16.173 421 HB3 GLN 53 3HB GLN 53 0.460 5.534 17.084 422 HG2 GLN 53 2HG GLN 53 1.432 7.256 15.666 423 HG3 GLN 53 3HG GLN 53 0.012 7.244 14.621 424 HE21 GLN 53 1HE2 GLN 53 -1.881 8.281 15.327 425 HE22 GLN 53 2HE2 GLN 53 -1.904 9.350 16.681 426 H VAL 54 H VAL 54 0.915 6.032 13.095 427 HA VAL 54 HA VAL 54 -1.574 5.480 11.735 428 HB VAL 54 HB VAL 54 0.849 7.143 10.902 429 HG11 VAL 54 1HG1 VAL 54 -0.639 8.196 9.229 430 HG12 VAL 54 2HG1 VAL 54 -1.907 7.035 9.626 431 HG13 VAL 54 3HG1 VAL 54 -0.395 6.479 8.908 432 HG21 VAL 54 3HG2 VAL 54 -0.502 9.093 11.531 433 HG22 VAL 54 1HG2 VAL 54 -0.279 8.011 12.908 434 HG23 VAL 54 2HG2 VAL 54 -1.820 8.034 12.045 435 H ARG 55 H ARG 55 1.827 4.577 11.363 436 HA ARG 55 HA ARG 55 1.767 3.410 8.800 437 HB2 ARG 55 2HB ARG 55 3.537 2.878 11.221 438 HB3 ARG 55 3HB ARG 55 3.826 2.144 9.645 439 HG2 ARG 55 2HG ARG 55 4.335 4.225 8.629 440 HG3 ARG 55 3HG ARG 55 3.649 5.144 9.973 441 HD2 ARG 55 2HD ARG 55 6.094 5.232 9.994 442 HD3 ARG 55 3HD ARG 55 5.473 4.421 11.431 443 HE ARG 55 HE ARG 55 6.383 2.801 9.157 444 HH11 ARG 55 1HH1 ARG 55 6.930 3.887 12.457 445 HH12 ARG 55 2HH1 ARG 55 8.126 2.678 12.782 446 HH21 ARG 55 1HH2 ARG 55 8.004 1.272 9.582 447 HH22 ARG 55 2HH2 ARG 55 8.732 1.209 11.155 448 H LYS 56 H LYS 56 0.963 2.112 11.989 449 HA LYS 56 HA LYS 56 0.478 -0.572 11.301 450 HB2 LYS 56 2HB LYS 56 -0.997 1.134 13.356 451 HB3 LYS 56 3HB LYS 56 -1.000 -0.631 13.295 452 HG2 LYS 56 2HG LYS 56 1.444 -0.638 13.688 453 HG3 LYS 56 3HG LYS 56 1.420 1.123 13.786 454 HD2 LYS 56 2HD LYS 56 -0.181 0.913 15.735 455 HD3 LYS 56 3HD LYS 56 0.081 -0.837 15.683 456 HE2 LYS 56 2HE LYS 56 2.116 1.327 16.271 457 HE3 LYS 56 3HE LYS 56 1.555 0.051 17.349 458 HZ1 LYS 56 3HZ LYS 56 3.239 -0.272 14.924 459 HZ2 LYS 56 1HZ LYS 56 2.583 -1.561 15.798 460 HZ3 LYS 56 2HZ LYS 56 3.699 -0.528 16.531 461 H GLU 57 H GLU 57 -1.620 2.293 11.152 462 HA GLU 57 HA GLU 57 -4.015 0.951 10.447 463 HB2 GLU 57 2HB GLU 57 -3.279 3.863 9.905 464 HB3 GLU 57 3HB GLU 57 -4.902 3.187 9.957 465 HG2 GLU 57 2HG GLU 57 -2.982 3.419 12.283 466 HG3 GLU 57 3HG GLU 57 -4.424 4.389 12.020 467 H LEU 58 H LEU 58 -1.435 2.442 8.484 468 HA LEU 58 HA LEU 58 -2.535 1.962 5.924 469 HB2 LEU 58 2HB LEU 58 0.308 2.309 6.905 470 HB3 LEU 58 3HB LEU 58 0.022 1.818 5.251 471 HG LEU 58 HG LEU 58 0.376 4.133 5.128 472 HD11 LEU 58 1HD1 LEU 58 -1.725 5.116 4.345 473 HD12 LEU 58 2HD1 LEU 58 -2.632 3.789 5.075 474 HD13 LEU 58 3HD1 LEU 58 -1.502 3.471 3.757 475 HD21 LEU 58 3HD2 LEU 58 -0.710 5.837 6.501 476 HD22 LEU 58 1HD2 LEU 58 0.223 4.707 7.478 477 HD23 LEU 58 2HD2 LEU 58 -1.537 4.582 7.427 478 H ALA 59 H ALA 59 -0.875 -0.182 8.181 479 HA ALA 59 HA ALA 59 -0.408 -2.338 6.373 480 HB1 ALA 59 3HB ALA 59 0.029 -3.671 8.383 481 HB2 ALA 59 1HB ALA 59 -0.645 -2.392 9.400 482 HB3 ALA 59 2HB ALA 59 0.832 -2.106 8.481 483 H LYS 60 H LYS 60 -3.105 -1.522 8.572 484 HA LYS 60 HA LYS 60 -4.648 -3.884 8.177 485 HB2 LYS 60 2HB LYS 60 -5.431 -1.071 9.028 486 HB3 LYS 60 3HB LYS 60 -6.652 -2.312 8.796 487 HG2 LYS 60 2HG LYS 60 -6.171 -2.114 11.145 488 HG3 LYS 60 3HG LYS 60 -5.561 -3.674 10.583 489 HD2 LYS 60 2HD LYS 60 -3.291 -2.866 10.591 490 HD3 LYS 60 3HD LYS 60 -3.826 -1.207 10.863 491 HE2 LYS 60 2HE LYS 60 -4.160 -3.478 12.841 492 HE3 LYS 60 3HE LYS 60 -2.879 -2.269 12.890 493 HZ1 LYS 60 3HZ LYS 60 -4.684 -1.726 14.395 494 HZ2 LYS 60 1HZ LYS 60 -5.787 -1.687 13.114 495 HZ3 LYS 60 2HZ LYS 60 -4.538 -0.550 13.191 496 H GLU 61 H GLU 61 -4.422 -0.803 6.448 497 HA GLU 61 HA GLU 61 -6.584 -1.336 4.627 498 HB2 GLU 61 2HB GLU 61 -4.383 0.775 4.517 499 HB3 GLU 61 3HB GLU 61 -5.814 0.736 3.480 500 HG2 GLU 61 2HG GLU 61 -7.255 0.871 5.520 501 HG3 GLU 61 3HG GLU 61 -5.798 1.013 6.494 502 H ALA 62 H ALA 62 -3.070 -1.725 4.519 503 HA ALA 62 HA ALA 62 -2.720 -2.579 1.883 504 HB1 ALA 62 3HB ALA 62 -0.857 -2.137 3.439 505 HB2 ALA 62 1HB ALA 62 -0.713 -3.741 2.728 506 HB3 ALA 62 2HB ALA 62 -1.288 -3.564 4.386 507 H GLU 63 H GLU 63 -3.652 -4.390 4.786 508 HA GLU 63 HA GLU 63 -3.852 -6.961 3.586 509 HB2 GLU 63 2HB GLU 63 -4.932 -5.836 6.199 510 HB3 GLU 63 3HB GLU 63 -5.033 -7.538 5.759 511 HG2 GLU 63 2HG GLU 63 -2.604 -7.735 5.735 512 HG3 GLU 63 3HG GLU 63 -2.428 -6.004 6.013 513 H ARG 64 H ARG 64 -6.267 -4.374 4.171 514 HA ARG 64 HA ARG 64 -8.526 -6.010 3.567 515 HB2 ARG 64 2HB ARG 64 -9.892 -4.071 3.679 516 HB3 ARG 64 3HB ARG 64 -8.628 -3.817 4.870 517 HG2 ARG 64 2HG ARG 64 -7.477 -2.289 3.326 518 HG3 ARG 64 3HG ARG 64 -8.726 -2.554 2.116 519 HD2 ARG 64 2HD ARG 64 -9.225 -1.349 4.864 520 HD3 ARG 64 3HD ARG 64 -8.984 -0.410 3.387 521 HE ARG 64 HE ARG 64 -11.123 -2.345 3.183 522 HH11 ARG 64 1HH1 ARG 64 -10.357 0.953 4.213 523 HH12 ARG 64 2HH1 ARG 64 -11.997 1.500 4.059 524 HH21 ARG 64 1HH2 ARG 64 -13.253 -1.599 2.986 525 HH22 ARG 64 2HH2 ARG 64 -13.641 0.050 3.362 526 H LEU 65 H LEU 65 -6.352 -4.023 1.631 527 HA LEU 65 HA LEU 65 -7.833 -4.333 -0.846 528 HB2 LEU 65 2HB LEU 65 -4.971 -3.416 -0.345 529 HB3 LEU 65 3HB LEU 65 -5.827 -3.283 -1.877 530 HG LEU 65 HG LEU 65 -6.675 -1.875 0.684 531 HD11 LEU 65 1HD1 LEU 65 -4.526 -1.022 -0.123 532 HD12 LEU 65 2HD1 LEU 65 -5.807 0.173 -0.287 533 HD13 LEU 65 3HD1 LEU 65 -5.234 -0.704 -1.709 534 HD21 LEU 65 3HD2 LEU 65 -8.562 -2.300 -0.812 535 HD22 LEU 65 1HD2 LEU 65 -7.696 -1.543 -2.154 536 HD23 LEU 65 2HD2 LEU 65 -8.182 -0.581 -0.755 537 H ALA 66 H ALA 66 -5.264 -6.048 0.825 538 HA ALA 66 HA ALA 66 -4.355 -7.699 -1.281 539 HB1 ALA 66 3HB ALA 66 -3.157 -7.450 0.859 540 HB2 ALA 66 1HB ALA 66 -3.448 -9.146 0.470 541 HB3 ALA 66 2HB ALA 66 -4.440 -8.334 1.687 542 H LYS 67 H LYS 67 -6.921 -8.232 1.165 543 HA LYS 67 HA LYS 67 -7.771 -10.743 -0.013 544 HB2 LYS 67 2HB LYS 67 -9.509 -10.743 1.735 545 HB3 LYS 67 3HB LYS 67 -7.926 -10.398 2.421 546 HG2 LYS 67 2HG LYS 67 -8.487 -7.984 2.473 547 HG3 LYS 67 3HG LYS 67 -10.089 -8.351 1.843 548 HD2 LYS 67 2HD LYS 67 -8.975 -9.322 4.506 549 HD3 LYS 67 3HD LYS 67 -10.107 -7.990 4.295 550 HE2 LYS 67 2HE LYS 67 -11.728 -9.640 3.277 551 HE3 LYS 67 3HE LYS 67 -10.616 -10.928 3.741 552 HZ1 LYS 67 3HZ LYS 67 -11.911 -9.010 5.614 553 HZ2 LYS 67 1HZ LYS 67 -10.865 -10.260 6.054 554 HZ3 LYS 67 2HZ LYS 67 -12.376 -10.621 5.386 555 H GLU 68 H GLU 68 -8.532 -7.400 -0.498 556 HA GLU 68 HA GLU 68 -11.154 -7.654 -1.621 557 HB2 GLU 68 2HB GLU 68 -10.174 -5.501 -0.778 558 HB3 GLU 68 3HB GLU 68 -9.038 -5.510 -2.120 559 HG2 GLU 68 2HG GLU 68 -10.808 -3.954 -2.604 560 HG3 GLU 68 3HG GLU 68 -10.956 -5.325 -3.696 561 H PHE 69 H PHE 69 -7.914 -7.303 -3.046 562 HA PHE 69 HA PHE 69 -8.936 -7.934 -5.739 563 HB2 PHE 69 2HB PHE 69 -6.225 -6.785 -4.919 564 HB3 PHE 69 3HB PHE 69 -6.865 -6.899 -6.555 565 HD1 PHE 69 HD1 PHE 69 -9.328 -5.716 -6.797 566 HD2 PHE 69 HD2 PHE 69 -6.328 -4.654 -3.939 567 HE1 PHE 69 HE1 PHE 69 -10.355 -3.499 -6.524 568 HE2 PHE 69 HE2 PHE 69 -7.364 -2.437 -3.680 569 HZ PHE 69 HZ PHE 69 -9.380 -1.862 -4.966 570 H ASN 70 H ASN 70 -7.818 -9.668 -3.245 571 HA ASN 70 HA ASN 70 -6.906 -11.690 -2.885 572 HB2 ASN 70 2HB ASN 70 -8.747 -12.264 -4.549 573 HB3 ASN 70 3HB ASN 70 -7.518 -12.293 -5.814 574 HD21 ASN 70 1HD2 ASN 70 -7.981 -14.496 -6.226 575 HD22 ASN 70 2HD2 ASN 70 -7.471 -15.761 -5.170 576 H ILE 71 H ILE 71 -5.118 -9.642 -3.504 577 HA ILE 71 HA ILE 71 -2.842 -11.000 -4.842 578 HB ILE 71 HB ILE 71 -1.784 -8.692 -4.925 579 HG12 ILE 71 2HG1 ILE 71 -4.571 -7.777 -4.064 580 HG13 ILE 71 3HG1 ILE 71 -3.081 -7.574 -3.153 581 HG21 ILE 71 1HG2 ILE 71 -4.397 -8.986 -6.446 582 HG22 ILE 71 2HG2 ILE 71 -2.840 -9.676 -6.914 583 HG23 ILE 71 3HG2 ILE 71 -3.055 -7.926 -6.884 584 HD11 ILE 71 3HD1 ILE 71 -3.802 -6.218 -5.749 585 HD12 ILE 71 1HD1 ILE 71 -2.247 -6.060 -4.922 586 HD13 ILE 71 2HD1 ILE 71 -3.724 -5.492 -4.145 587 H THR 72 H THR 72 -0.732 -10.790 -3.819 588 HA THR 72 HA THR 72 -0.915 -11.129 -0.912 589 HB THR 72 HB THR 72 1.593 -11.844 -1.299 590 HG1 THR 72 HG1 THR 72 1.350 -10.925 -3.583 591 HG21 THR 72 3HG2 THR 72 -0.638 -13.529 -2.498 592 HG22 THR 72 1HG2 THR 72 -0.187 -13.475 -0.791 593 HG23 THR 72 2HG2 THR 72 0.941 -14.123 -1.982 594 H VAL 73 H VAL 73 -0.587 -9.330 0.320 595 HA VAL 73 HA VAL 73 1.421 -7.338 -0.556 596 HB VAL 73 HB VAL 73 -0.875 -6.527 0.181 597 HG11 VAL 73 1HG1 VAL 73 -1.384 -6.323 2.581 598 HG12 VAL 73 2HG1 VAL 73 0.051 -7.271 2.974 599 HG13 VAL 73 3HG1 VAL 73 -1.280 -8.017 2.089 600 HG21 VAL 73 3HG2 VAL 73 1.115 -5.051 0.071 601 HG22 VAL 73 1HG2 VAL 73 1.469 -5.409 1.763 602 HG23 VAL 73 2HG2 VAL 73 -0.012 -4.549 1.329 603 H THR 74 H THR 74 3.164 -6.843 0.692 604 HA THR 74 HA THR 74 3.594 -8.153 3.274 605 HB THR 74 HB THR 74 4.911 -9.526 1.756 606 HG1 THR 74 HG1 THR 74 5.860 -8.697 3.811 607 HG21 THR 74 3HG2 THR 74 6.244 -6.978 0.763 608 HG22 THR 74 1HG2 THR 74 5.136 -7.994 -0.166 609 HG23 THR 74 2HG2 THR 74 6.710 -8.622 0.325 610 H TYR 75 H TYR 75 4.174 -6.674 4.755 611 HA TYR 75 HA TYR 75 5.037 -3.999 3.826 612 HB2 TYR 75 2HB TYR 75 3.575 -2.974 5.607 613 HB3 TYR 75 3HB TYR 75 2.704 -3.691 4.263 614 HD1 TYR 75 HD1 TYR 75 3.686 -4.294 7.841 615 HD2 TYR 75 HD2 TYR 75 1.009 -5.348 4.673 616 HE1 TYR 75 HE1 TYR 75 2.298 -5.554 9.428 617 HE2 TYR 75 HE2 TYR 75 -0.372 -6.610 6.269 618 HH TYR 75 HH TYR 75 -0.196 -7.679 8.443 619 H THR 76 H THR 76 6.455 -2.926 5.114 620 HA THR 76 HA THR 76 7.661 -4.436 7.344 621 HB THR 76 HB THR 76 9.055 -2.319 5.626 622 HG1 THR 76 HG1 THR 76 8.635 -3.889 4.153 623 HG21 THR 76 3HG2 THR 76 10.131 -2.872 7.808 624 HG22 THR 76 1HG2 THR 76 11.119 -3.389 6.434 625 HG23 THR 76 2HG2 THR 76 10.180 -4.573 7.342 626 H ILE 77 H ILE 77 7.275 -3.527 9.270 627 HA ILE 77 HA ILE 77 7.565 -0.627 9.620 628 HB ILE 77 HB ILE 77 5.741 -0.814 11.500 629 HG12 ILE 77 2HG1 ILE 77 4.916 -3.195 9.773 630 HG13 ILE 77 3HG1 ILE 77 5.366 -3.238 11.473 631 HG21 ILE 77 1HG2 ILE 77 3.942 -0.139 9.983 632 HG22 ILE 77 2HG2 ILE 77 4.848 -0.767 8.606 633 HG23 ILE 77 3HG2 ILE 77 5.476 0.604 9.523 634 HD11 ILE 77 3HD1 ILE 77 3.351 -1.932 12.022 635 HD12 ILE 77 1HD1 ILE 77 2.975 -3.451 11.210 636 HD13 ILE 77 2HD1 ILE 77 2.898 -1.933 10.314 637 H ARG 78 H ARG 78 9.265 -0.375 10.909 638 HA ARG 78 HA ARG 78 9.380 -1.970 13.395 639 HB2 ARG 78 2HB ARG 78 11.807 -1.887 13.414 640 HB3 ARG 78 3HB ARG 78 11.257 -2.659 11.931 641 HG2 ARG 78 2HG ARG 78 11.715 -0.602 10.667 642 HG3 ARG 78 3HG ARG 78 12.212 0.215 12.149 643 HD2 ARG 78 2HD ARG 78 14.060 -1.466 12.389 644 HD3 ARG 78 3HD ARG 78 13.591 -2.146 10.825 645 HE ARG 78 HE ARG 78 14.031 0.628 10.548 646 HH11 ARG 78 1HH1 ARG 78 15.891 -2.325 11.076 647 HH12 ARG 78 2HH1 ARG 78 17.329 -1.696 10.338 648 HH21 ARG 78 1HH2 ARG 78 15.897 1.440 9.571 649 HH22 ARG 78 2HH2 ARG 78 17.327 0.461 9.476 650 H GLY 79 H GLY 79 10.483 -0.778 15.184 651 HA2 GLY 79 2HA GLY 79 10.667 1.339 16.342 652 HA3 GLY 79 3HA GLY 79 9.581 2.059 15.157 653 H SER 80 H SER 80 8.189 -0.787 15.488 654 HA SER 80 HA SER 80 6.294 -0.172 17.549 655 HB2 SER 80 2HB SER 80 6.831 -2.818 16.135 656 HB3 SER 80 3HB SER 80 5.409 -2.439 17.109 657 HG SER 80 HG SER 80 6.067 -0.817 14.906 658 H LEU 81 H LEU 81 9.473 -1.196 17.681 659 HA LEU 81 HA LEU 81 9.389 -3.005 19.917 660 HB2 LEU 81 2HB LEU 81 11.718 -1.463 18.678 661 HB3 LEU 81 3HB LEU 81 11.870 -2.774 19.834 662 HG LEU 81 HG LEU 81 10.859 -2.999 16.978 663 HD11 LEU 81 1HD1 LEU 81 12.834 -4.402 16.601 664 HD12 LEU 81 2HD1 LEU 81 13.365 -4.123 18.262 665 HD13 LEU 81 3HD1 LEU 81 13.285 -2.779 17.121 666 HD21 LEU 81 3HD2 LEU 81 11.031 -5.172 19.088 667 HD22 LEU 81 1HD2 LEU 81 10.670 -5.430 17.377 668 HD23 LEU 81 2HD2 LEU 81 9.558 -4.504 18.380 669 H GLU 82 H GLU 82 8.019 -0.521 20.421 670 HA GLU 82 HA GLU 82 9.249 1.391 21.991 671 HB2 GLU 82 2HB GLU 82 6.996 1.711 23.029 672 HB3 GLU 82 3HB GLU 82 6.909 1.561 21.281 673 HG2 GLU 82 2HG GLU 82 6.169 -0.782 21.486 674 HG3 GLU 82 3HG GLU 82 6.308 -0.682 23.240 675 H HIS 83 H HIS 83 8.218 -1.834 22.775 676 HA HIS 83 HA HIS 83 9.684 -1.832 25.326 677 HB2 HIS 83 2HB HIS 83 7.083 -1.555 25.569 678 HB3 HIS 83 3HB HIS 83 6.970 -3.208 24.981 679 HD1 HIS 83 HD1 HIS 83 7.428 -1.232 28.001 680 HD2 HIS 83 HD2 HIS 83 8.257 -5.137 26.835 681 HE1 HIS 83 HE1 HIS 83 7.756 -2.521 30.131 682 HE2 HIS 83 HE2 HIS 83 8.142 -4.895 29.397 683 H HIS 84 H HIS 84 11.253 -2.720 23.772 684 HA HIS 84 HA HIS 84 10.704 -5.153 22.332 685 HB2 HIS 84 2HB HIS 84 13.191 -5.072 21.779 686 HB3 HIS 84 3HB HIS 84 12.238 -3.696 21.257 687 HD1 HIS 84 HD1 HIS 84 12.998 -1.422 22.004 688 HD2 HIS 84 HD2 HIS 84 14.952 -4.487 24.026 689 HE1 HIS 84 HE1 HIS 84 14.844 -0.319 23.299 690 HE2 HIS 84 HE2 HIS 84 16.132 -2.212 24.323 691 H HIS 85 H HIS 85 9.945 -6.298 24.123 692 HA HIS 85 HA HIS 85 11.442 -8.136 25.551 693 HB2 HIS 85 2HB HIS 85 12.374 -6.063 26.702 694 HB3 HIS 85 3HB HIS 85 10.749 -5.647 27.225 695 HD1 HIS 85 HD1 HIS 85 13.616 -7.935 27.968 696 HD2 HIS 85 HD2 HIS 85 9.820 -7.119 29.452 697 HE1 HIS 85 HE1 HIS 85 13.527 -9.015 30.235 698 HE2 HIS 85 HE2 HIS 85 11.220 -8.510 31.115 699 H HIS 86 H HIS 86 9.908 -9.440 26.828 700 HA HIS 86 HA HIS 86 7.180 -9.212 26.050 701 HB2 HIS 86 2HB HIS 86 8.530 -10.894 28.193 702 HB3 HIS 86 3HB HIS 86 6.808 -11.015 27.850 703 HD1 HIS 86 HD1 HIS 86 9.068 -13.259 27.434 704 HD2 HIS 86 HD2 HIS 86 7.225 -10.992 24.482 705 HE1 HIS 86 HE1 HIS 86 9.215 -14.638 25.342 706 HE2 HIS 86 HE2 HIS 86 8.146 -13.216 23.558 707 H HIS 87 H HIS 87 5.348 -9.223 27.741 708 HA HIS 87 HA HIS 87 5.542 -6.895 29.483 709 HB2 HIS 87 2HB HIS 87 3.109 -7.320 29.912 710 HB3 HIS 87 3HB HIS 87 3.505 -7.151 28.208 711 HD1 HIS 87 HD1 HIS 87 2.234 -9.594 30.717 712 HD2 HIS 87 HD2 HIS 87 3.074 -9.479 26.647 713 HE1 HIS 87 HE1 HIS 87 1.189 -11.657 29.750 714 HE2 HIS 87 HE2 HIS 87 1.816 -11.625 27.317 715 H HIS 88 H HIS 88 7.355 -8.408 30.376 716 HA HIS 88 HA HIS 88 7.014 -9.077 33.034 717 HB2 HIS 88 2HB HIS 88 5.703 -11.037 32.326 718 HB3 HIS 88 3HB HIS 88 6.944 -11.502 31.167 719 HD1 HIS 88 HD1 HIS 88 7.918 -13.629 32.055 720 HD2 HIS 88 HD2 HIS 88 7.333 -10.842 35.082 721 HE1 HIS 88 HE1 HIS 88 8.845 -14.687 34.142 722 HE2 HIS 88 HE2 HIS 88 8.542 -12.954 35.933 Start of MODEL 2 1 H1 MET 1 1H MET 1 9.857 4.768 16.591 2 H2 MET 1 2H MET 1 11.229 5.342 15.793 3 H3 MET 1 3H MET 1 11.008 3.678 15.990 4 HA MET 1 HA MET 1 9.048 3.748 14.603 5 HB2 MET 1 2HB MET 1 8.343 6.056 14.998 6 HB3 MET 1 3HB MET 1 9.836 6.679 14.317 7 HG2 MET 1 2HG MET 1 9.152 5.839 12.087 8 HG3 MET 1 3HG MET 1 7.648 5.244 12.782 9 HE1 MET 1 3HE MET 1 9.488 8.636 13.679 10 HE2 MET 1 1HE MET 1 8.727 9.735 12.527 11 HE3 MET 1 2HE MET 1 9.790 8.453 11.949 12 H GLY 2 H GLY 2 9.612 2.666 12.790 13 HA2 GLY 2 2HA GLY 2 12.113 3.243 11.335 14 HA3 GLY 2 3HA GLY 2 11.066 1.846 11.121 15 H GLU 3 H GLU 3 11.409 2.496 8.798 16 HA GLU 3 HA GLU 3 9.255 4.355 7.948 17 HB2 GLU 3 2HB GLU 3 10.448 4.486 5.749 18 HB3 GLU 3 3HB GLU 3 11.378 5.142 7.091 19 HG2 GLU 3 2HG GLU 3 12.668 2.985 7.181 20 HG3 GLU 3 3HG GLU 3 11.803 2.460 5.736 21 H MET 4 H MET 4 7.920 3.605 6.142 22 HA MET 4 HA MET 4 7.553 0.668 6.296 23 HB2 MET 4 2HB MET 4 5.795 1.951 7.528 24 HB3 MET 4 3HB MET 4 5.377 2.800 6.042 25 HG2 MET 4 2HG MET 4 4.688 0.658 5.022 26 HG3 MET 4 3HG MET 4 5.139 -0.188 6.506 27 HE1 MET 4 3HE MET 4 1.370 -0.560 7.018 28 HE2 MET 4 1HE MET 4 2.956 -1.291 7.255 29 HE3 MET 4 2HE MET 4 2.383 -0.931 5.625 30 H ASP 5 H ASP 5 7.564 -0.415 4.403 31 HA ASP 5 HA ASP 5 6.740 1.005 1.962 32 HB2 ASP 5 2HB ASP 5 8.236 -0.273 0.596 33 HB3 ASP 5 3HB ASP 5 9.207 0.360 1.914 34 H ILE 6 H ILE 6 4.985 0.159 1.115 35 HA ILE 6 HA ILE 6 3.819 -2.319 2.187 36 HB ILE 6 HB ILE 6 2.424 0.080 0.890 37 HG12 ILE 6 2HG1 ILE 6 2.626 -0.670 3.844 38 HG13 ILE 6 3HG1 ILE 6 3.503 0.646 3.074 39 HG21 ILE 6 1HG2 ILE 6 0.339 -0.949 1.746 40 HG22 ILE 6 2HG2 ILE 6 1.266 -2.324 2.350 41 HG23 ILE 6 3HG2 ILE 6 1.170 -2.020 0.614 42 HD11 ILE 6 3HD1 ILE 6 0.533 0.443 3.465 43 HD12 ILE 6 1HD1 ILE 6 1.351 1.724 2.563 44 HD13 ILE 6 2HD1 ILE 6 1.665 1.517 4.285 45 H ARG 7 H ARG 7 4.020 -3.937 0.752 46 HA ARG 7 HA ARG 7 4.575 -3.269 -2.071 47 HB2 ARG 7 2HB ARG 7 6.557 -4.001 -0.742 48 HB3 ARG 7 3HB ARG 7 5.749 -5.529 -0.400 49 HG2 ARG 7 2HG ARG 7 5.754 -6.065 -2.823 50 HG3 ARG 7 3HG ARG 7 6.562 -4.527 -3.154 51 HD2 ARG 7 2HD ARG 7 7.660 -6.859 -1.558 52 HD3 ARG 7 3HD ARG 7 8.223 -6.289 -3.131 53 HE ARG 7 HE ARG 7 8.632 -4.976 -0.521 54 HH11 ARG 7 1HH1 ARG 7 9.340 -5.028 -3.974 55 HH12 ARG 7 2HH1 ARG 7 10.660 -3.908 -3.832 56 HH21 ARG 7 1HH2 ARG 7 10.309 -3.496 -0.359 57 HH22 ARG 7 2HH2 ARG 7 11.210 -3.038 -1.771 58 H PHE 8 H PHE 8 3.028 -3.970 -3.379 59 HA PHE 8 HA PHE 8 1.381 -6.321 -2.663 60 HB2 PHE 8 2HB PHE 8 0.835 -3.961 -4.516 61 HB3 PHE 8 3HB PHE 8 -0.184 -5.395 -4.471 62 HD1 PHE 8 HD2 PHE 8 -1.477 -5.950 -2.395 63 HD2 PHE 8 HD1 PHE 8 0.642 -2.252 -2.804 64 HE1 PHE 8 HE2 PHE 8 -2.783 -4.993 -0.545 65 HE2 PHE 8 HE1 PHE 8 -0.667 -1.312 -0.954 66 HZ PHE 8 HZ PHE 8 -2.380 -2.675 0.177 67 H ARG 9 H ARG 9 1.409 -8.055 -3.944 68 HA ARG 9 HA ARG 9 2.861 -8.037 -6.525 69 HB2 ARG 9 2HB ARG 9 3.102 -10.048 -4.236 70 HB3 ARG 9 3HB ARG 9 3.637 -10.393 -5.879 71 HG2 ARG 9 2HG ARG 9 5.235 -8.499 -5.739 72 HG3 ARG 9 3HG ARG 9 4.733 -8.216 -4.067 73 HD2 ARG 9 2HD ARG 9 5.575 -10.381 -3.381 74 HD3 ARG 9 3HD ARG 9 5.881 -10.850 -5.060 75 HE ARG 9 HE ARG 9 7.308 -8.504 -4.466 76 HH11 ARG 9 1HH1 ARG 9 7.418 -11.935 -3.657 77 HH12 ARG 9 2HH1 ARG 9 9.133 -11.930 -3.399 78 HH21 ARG 9 1HH2 ARG 9 9.529 -8.540 -4.234 79 HH22 ARG 9 2HH2 ARG 9 10.334 -9.996 -3.728 80 H GLY 10 H GLY 10 1.496 -8.734 -8.074 81 HA2 GLY 10 2HA GLY 10 -0.577 -10.762 -7.494 82 HA3 GLY 10 3HA GLY 10 -1.091 -9.191 -8.109 83 H ASP 11 H ASP 11 -1.452 -11.749 -9.364 84 HA ASP 11 HA ASP 11 0.362 -12.296 -11.469 85 HB2 ASP 11 2HB ASP 11 -1.371 -13.895 -10.680 86 HB3 ASP 11 3HB ASP 11 -2.639 -12.840 -11.288 87 H ASP 12 H ASP 12 -2.074 -9.945 -11.034 88 HA ASP 12 HA ASP 12 -1.986 -8.999 -13.837 89 HB2 ASP 12 2HB ASP 12 -4.216 -9.813 -13.431 90 HB3 ASP 12 3HB ASP 12 -4.283 -9.076 -11.834 91 H LEU 13 H LEU 13 -1.158 -7.045 -14.073 92 HA LEU 13 HA LEU 13 -0.011 -5.526 -11.996 93 HB2 LEU 13 2HB LEU 13 0.875 -5.543 -14.287 94 HB3 LEU 13 3HB LEU 13 -0.594 -4.791 -14.884 95 HG LEU 13 HG LEU 13 -0.032 -2.725 -13.540 96 HD11 LEU 13 1HD1 LEU 13 2.237 -2.425 -12.661 97 HD12 LEU 13 2HD1 LEU 13 2.612 -4.114 -13.021 98 HD13 LEU 13 3HD1 LEU 13 1.382 -3.716 -11.817 99 HD21 LEU 13 3HD2 LEU 13 2.036 -3.585 -15.579 100 HD22 LEU 13 1HD2 LEU 13 1.730 -1.924 -15.057 101 HD23 LEU 13 2HD2 LEU 13 0.480 -2.823 -15.914 102 H GLU 14 H GLU 14 -3.197 -5.403 -13.460 103 HA GLU 14 HA GLU 14 -3.736 -2.633 -12.898 104 HB2 GLU 14 2HB GLU 14 -5.725 -4.841 -13.583 105 HB3 GLU 14 3HB GLU 14 -6.073 -3.109 -13.560 106 HG2 GLU 14 2HG GLU 14 -4.372 -2.784 -15.359 107 HG3 GLU 14 3HG GLU 14 -4.152 -4.534 -15.433 108 H ALA 15 H ALA 15 -4.429 -5.710 -11.279 109 HA ALA 15 HA ALA 15 -6.108 -4.802 -9.212 110 HB1 ALA 15 3HB ALA 15 -5.415 -6.852 -8.020 111 HB2 ALA 15 1HB ALA 15 -4.081 -7.072 -9.158 112 HB3 ALA 15 2HB ALA 15 -5.751 -7.189 -9.719 113 H LEU 16 H LEU 16 -2.619 -4.765 -9.605 114 HA LEU 16 HA LEU 16 -1.900 -3.861 -7.008 115 HB2 LEU 16 2HB LEU 16 -0.371 -3.432 -9.605 116 HB3 LEU 16 3HB LEU 16 0.289 -3.354 -7.977 117 HG LEU 16 HG LEU 16 -0.727 -5.853 -9.387 118 HD11 LEU 16 1HD1 LEU 16 1.417 -5.079 -10.254 119 HD12 LEU 16 2HD1 LEU 16 1.610 -6.581 -9.353 120 HD13 LEU 16 3HD1 LEU 16 2.092 -5.045 -8.623 121 HD21 LEU 16 3HD2 LEU 16 0.072 -7.105 -7.436 122 HD22 LEU 16 1HD2 LEU 16 -1.220 -5.993 -6.999 123 HD23 LEU 16 2HD2 LEU 16 0.456 -5.597 -6.605 124 H GLU 17 H GLU 17 -2.836 -2.249 -10.025 125 HA GLU 17 HA GLU 17 -2.096 0.412 -9.277 126 HB2 GLU 17 2HB GLU 17 -4.061 -0.492 -11.436 127 HB3 GLU 17 3HB GLU 17 -3.390 1.132 -11.271 128 HG2 GLU 17 2HG GLU 17 -1.113 0.217 -11.663 129 HG3 GLU 17 3HG GLU 17 -1.811 -1.387 -11.884 130 H LYS 18 H LYS 18 -5.146 -1.431 -9.019 131 HA LYS 18 HA LYS 18 -6.718 0.784 -8.078 132 HB2 LYS 18 2HB LYS 18 -7.202 -2.217 -7.991 133 HB3 LYS 18 3HB LYS 18 -8.287 -1.091 -7.193 134 HG2 LYS 18 2HG LYS 18 -9.343 -1.506 -9.234 135 HG3 LYS 18 3HG LYS 18 -8.548 0.049 -9.490 136 HD2 LYS 18 2HD LYS 18 -6.720 -1.085 -10.698 137 HD3 LYS 18 3HD LYS 18 -7.487 -2.648 -10.407 138 HE2 LYS 18 2HE LYS 18 -7.958 -1.942 -12.675 139 HE3 LYS 18 3HE LYS 18 -9.458 -1.876 -11.745 140 HZ1 LYS 18 3HZ LYS 18 -9.116 0.067 -13.178 141 HZ2 LYS 18 1HZ LYS 18 -7.712 0.459 -12.324 142 HZ3 LYS 18 2HZ LYS 18 -9.214 0.499 -11.547 143 H ALA 19 H ALA 19 -4.925 -1.872 -6.491 144 HA ALA 19 HA ALA 19 -5.414 -1.221 -3.792 145 HB1 ALA 19 3HB ALA 19 -4.329 -3.329 -4.482 146 HB2 ALA 19 1HB ALA 19 -3.340 -2.471 -3.295 147 HB3 ALA 19 2HB ALA 19 -2.902 -2.434 -5.005 148 H LEU 20 H LEU 20 -2.894 -0.158 -6.023 149 HA LEU 20 HA LEU 20 -1.353 1.511 -4.435 150 HB2 LEU 20 2HB LEU 20 -0.680 0.766 -6.665 151 HB3 LEU 20 3HB LEU 20 -1.995 1.659 -7.404 152 HG LEU 20 HG LEU 20 -0.923 3.799 -6.810 153 HD11 LEU 20 1HD1 LEU 20 1.295 3.907 -5.819 154 HD12 LEU 20 2HD1 LEU 20 1.316 2.155 -5.603 155 HD13 LEU 20 3HD1 LEU 20 0.154 3.145 -4.715 156 HD21 LEU 20 3HD2 LEU 20 -0.353 2.758 -8.960 157 HD22 LEU 20 1HD2 LEU 20 1.006 1.915 -8.207 158 HD23 LEU 20 2HD2 LEU 20 1.003 3.679 -8.313 159 H LYS 21 H LYS 21 -4.169 2.334 -6.479 160 HA LYS 21 HA LYS 21 -4.304 5.083 -6.149 161 HB2 LYS 21 2HB LYS 21 -5.745 3.804 -7.720 162 HB3 LYS 21 3HB LYS 21 -6.622 3.111 -6.361 163 HG2 LYS 21 2HG LYS 21 -7.208 5.576 -5.738 164 HG3 LYS 21 3HG LYS 21 -6.663 5.968 -7.369 165 HD2 LYS 21 2HD LYS 21 -9.095 5.701 -7.343 166 HD3 LYS 21 3HD LYS 21 -8.370 4.402 -8.297 167 HE2 LYS 21 2HE LYS 21 -8.681 2.816 -6.491 168 HE3 LYS 21 3HE LYS 21 -9.169 4.096 -5.380 169 HZ1 LYS 21 3HZ LYS 21 -10.675 3.193 -7.774 170 HZ2 LYS 21 1HZ LYS 21 -11.140 4.461 -6.756 171 HZ3 LYS 21 2HZ LYS 21 -11.074 2.879 -6.165 172 H GLU 22 H GLU 22 -5.744 2.526 -4.161 173 HA GLU 22 HA GLU 22 -7.095 4.242 -2.335 174 HB2 GLU 22 2HB GLU 22 -6.356 1.300 -2.160 175 HB3 GLU 22 3HB GLU 22 -7.422 2.120 -1.022 176 HG2 GLU 22 2HG GLU 22 -7.979 1.940 -4.000 177 HG3 GLU 22 3HG GLU 22 -8.554 0.753 -2.834 178 H MET 23 H MET 23 -3.907 2.576 -2.224 179 HA MET 23 HA MET 23 -3.355 3.238 0.509 180 HB2 MET 23 2HB MET 23 -1.410 2.467 -1.706 181 HB3 MET 23 3HB MET 23 -1.002 2.570 0.006 182 HG2 MET 23 2HG MET 23 -2.895 0.620 -1.312 183 HG3 MET 23 3HG MET 23 -1.355 0.264 -0.539 184 HE1 MET 23 3HE MET 23 -0.989 0.371 2.104 185 HE2 MET 23 1HE MET 23 -2.256 0.805 3.252 186 HE3 MET 23 2HE MET 23 -1.591 2.030 2.174 187 H ILE 24 H ILE 24 -2.594 4.854 -2.561 188 HA ILE 24 HA ILE 24 -1.042 6.993 -1.527 189 HB ILE 24 HB ILE 24 -2.836 6.891 -4.008 190 HG12 ILE 24 2HG1 ILE 24 0.199 6.635 -3.721 191 HG13 ILE 24 3HG1 ILE 24 -0.912 5.326 -4.100 192 HG21 ILE 24 1HG2 ILE 24 -2.569 9.240 -3.325 193 HG22 ILE 24 2HG2 ILE 24 -1.666 8.930 -4.807 194 HG23 ILE 24 3HG2 ILE 24 -0.818 9.043 -3.265 195 HD11 ILE 24 3HD1 ILE 24 0.260 6.058 -6.079 196 HD12 ILE 24 1HD1 ILE 24 -0.313 7.711 -5.853 197 HD13 ILE 24 2HD1 ILE 24 -1.458 6.420 -6.230 198 H ARG 25 H ARG 25 -4.512 6.612 -2.168 199 HA ARG 25 HA ARG 25 -5.573 9.048 -1.372 200 HB2 ARG 25 2HB ARG 25 -6.846 7.344 -2.556 201 HB3 ARG 25 3HB ARG 25 -6.672 6.215 -1.226 202 HG2 ARG 25 2HG ARG 25 -8.156 7.673 0.162 203 HG3 ARG 25 3HG ARG 25 -8.371 8.733 -1.236 204 HD2 ARG 25 2HD ARG 25 -9.348 6.863 -2.521 205 HD3 ARG 25 3HD ARG 25 -9.102 5.778 -1.149 206 HE ARG 25 HE ARG 25 -10.696 8.001 -0.382 207 HH11 ARG 25 1HH1 ARG 25 -10.930 4.990 -2.229 208 HH12 ARG 25 2HH1 ARG 25 -12.640 4.833 -1.956 209 HH21 ARG 25 1HH2 ARG 25 -12.930 7.753 -0.049 210 HH22 ARG 25 2HH2 ARG 25 -13.767 6.391 -0.727 211 H GLN 26 H GLN 26 -4.704 6.223 0.609 212 HA GLN 26 HA GLN 26 -5.668 7.212 3.105 213 HB2 GLN 26 2HB GLN 26 -3.529 5.119 2.538 214 HB3 GLN 26 3HB GLN 26 -4.252 5.423 4.118 215 HG2 GLN 26 2HG GLN 26 -5.701 4.426 1.656 216 HG3 GLN 26 3HG GLN 26 -5.258 3.467 3.062 217 HE21 GLN 26 1HE2 GLN 26 -7.894 4.053 1.854 218 HE22 GLN 26 2HE2 GLN 26 -8.853 4.707 3.131 219 H ALA 27 H ALA 27 -2.393 7.135 1.662 220 HA ALA 27 HA ALA 27 -1.082 8.502 3.767 221 HB1 ALA 27 3HB ALA 27 0.112 7.147 2.113 222 HB2 ALA 27 1HB ALA 27 0.766 8.786 2.173 223 HB3 ALA 27 2HB ALA 27 -0.296 8.304 0.844 224 H ARG 28 H ARG 28 -3.109 9.679 1.205 225 HA ARG 28 HA ARG 28 -2.254 12.441 1.362 226 HB2 ARG 28 2HB ARG 28 -4.680 11.173 0.027 227 HB3 ARG 28 3HB ARG 28 -4.271 12.885 -0.074 228 HG2 ARG 28 2HG ARG 28 -2.069 12.203 -1.141 229 HG3 ARG 28 3HG ARG 28 -2.686 10.556 -1.200 230 HD2 ARG 28 2HD ARG 28 -3.008 11.676 -3.353 231 HD3 ARG 28 3HD ARG 28 -4.565 11.295 -2.610 232 HE ARG 28 HE ARG 28 -3.610 13.966 -2.044 233 HH11 ARG 28 1HH1 ARG 28 -5.454 12.046 -4.366 234 HH12 ARG 28 2HH1 ARG 28 -6.317 13.425 -4.976 235 HH21 ARG 28 1HH2 ARG 28 -4.742 15.732 -2.858 236 HH22 ARG 28 2HH2 ARG 28 -5.915 15.514 -4.121 237 H LYS 29 H LYS 29 -5.027 10.505 2.639 238 HA LYS 29 HA LYS 29 -6.313 12.761 3.869 239 HB2 LYS 29 2HB LYS 29 -7.777 11.183 5.012 240 HB3 LYS 29 3HB LYS 29 -7.597 10.708 3.331 241 HG2 LYS 29 2HG LYS 29 -6.109 8.898 3.936 242 HG3 LYS 29 3HG LYS 29 -6.075 9.422 5.619 243 HD2 LYS 29 2HD LYS 29 -8.533 8.383 4.143 244 HD3 LYS 29 3HD LYS 29 -7.546 7.453 5.273 245 HE2 LYS 29 2HE LYS 29 -8.131 9.094 7.072 246 HE3 LYS 29 3HE LYS 29 -9.193 9.920 5.930 247 HZ1 LYS 29 3HZ LYS 29 -10.487 7.878 5.739 248 HZ2 LYS 29 1HZ LYS 29 -10.429 8.417 7.341 249 HZ3 LYS 29 2HZ LYS 29 -9.476 7.109 6.849 250 H PHE 30 H PHE 30 -3.876 10.468 4.935 251 HA PHE 30 HA PHE 30 -3.733 11.531 7.636 252 HB2 PHE 30 2HB PHE 30 -1.931 9.562 6.154 253 HB3 PHE 30 3HB PHE 30 -1.763 9.984 7.856 254 HD1 PHE 30 HD1 PHE 30 -4.332 9.834 9.061 255 HD2 PHE 30 HD2 PHE 30 -2.804 7.393 5.897 256 HE1 PHE 30 HE1 PHE 30 -5.859 8.015 9.706 257 HE2 PHE 30 HE2 PHE 30 -4.344 5.586 6.546 258 HZ PHE 30 HZ PHE 30 -5.869 5.897 8.452 259 H ALA 31 H ALA 31 -2.656 12.518 4.609 260 HA ALA 31 HA ALA 31 -1.533 14.320 3.872 261 HB1 ALA 31 3HB ALA 31 -2.698 15.512 5.695 262 HB2 ALA 31 1HB ALA 31 -1.105 16.207 5.377 263 HB3 ALA 31 2HB ALA 31 -1.353 15.166 6.782 264 H GLY 32 H GLY 32 -0.088 11.832 4.860 265 HA2 GLY 32 2HA GLY 32 2.628 12.713 5.443 266 HA3 GLY 32 3HA GLY 32 2.067 11.064 5.211 267 H THR 33 H THR 33 4.176 10.966 3.956 268 HA THR 33 HA THR 33 3.944 12.050 1.213 269 HB THR 33 HB THR 33 6.432 10.961 2.615 270 HG1 THR 33 HG1 THR 33 5.771 12.918 3.569 271 HG21 THR 33 3HG2 THR 33 6.514 10.806 0.130 272 HG22 THR 33 1HG2 THR 33 7.680 11.982 0.751 273 HG23 THR 33 2HG2 THR 33 6.172 12.534 0.020 274 H VAL 34 H VAL 34 3.778 10.578 -0.483 275 HA VAL 34 HA VAL 34 4.012 7.691 0.120 276 HB VAL 34 HB VAL 34 1.627 8.271 -0.007 277 HG11 VAL 34 1HG1 VAL 34 1.698 10.270 -1.398 278 HG12 VAL 34 2HG1 VAL 34 0.552 9.103 -2.055 279 HG13 VAL 34 3HG1 VAL 34 2.136 9.303 -2.809 280 HG21 VAL 34 3HG2 VAL 34 2.300 6.051 -0.815 281 HG22 VAL 34 1HG2 VAL 34 2.494 6.688 -2.452 282 HG23 VAL 34 2HG2 VAL 34 0.895 6.643 -1.703 283 H THR 35 H THR 35 5.193 6.574 -1.276 284 HA THR 35 HA THR 35 5.971 7.683 -3.924 285 HB THR 35 HB THR 35 7.690 5.954 -2.061 286 HG1 THR 35 HG1 THR 35 7.598 7.934 -1.099 287 HG21 THR 35 3HG2 THR 35 8.266 5.721 -4.478 288 HG22 THR 35 1HG2 THR 35 9.560 6.499 -3.554 289 HG23 THR 35 2HG2 THR 35 8.501 7.469 -4.577 290 H TYR 36 H TYR 36 6.251 5.952 -5.571 291 HA TYR 36 HA TYR 36 5.712 3.207 -4.785 292 HB2 TYR 36 2HB TYR 36 3.888 2.829 -6.394 293 HB3 TYR 36 3HB TYR 36 3.428 4.001 -5.171 294 HD1 TYR 36 HD2 TYR 36 3.162 6.420 -5.779 295 HD2 TYR 36 HD1 TYR 36 4.003 3.467 -8.770 296 HE1 TYR 36 HE2 TYR 36 2.454 7.989 -7.535 297 HE2 TYR 36 HE1 TYR 36 3.294 5.048 -10.515 298 HH TYR 36 HH TYR 36 2.807 8.365 -9.924 299 H THR 37 H THR 37 6.465 1.722 -6.174 300 HA THR 37 HA THR 37 7.769 2.577 -8.682 301 HB THR 37 HB THR 37 8.867 0.573 -6.656 302 HG1 THR 37 HG1 THR 37 9.131 3.306 -6.911 303 HG21 THR 37 3HG2 THR 37 10.927 0.656 -8.045 304 HG22 THR 37 1HG2 THR 37 10.104 1.687 -9.205 305 HG23 THR 37 2HG2 THR 37 9.556 0.023 -8.964 306 H LEU 38 H LEU 38 6.506 1.719 -10.180 307 HA LEU 38 HA LEU 38 5.352 -0.969 -9.989 308 HB2 LEU 38 2HB LEU 38 5.092 1.279 -12.033 309 HB3 LEU 38 3HB LEU 38 4.332 -0.291 -12.246 310 HG LEU 38 HG LEU 38 3.742 1.528 -9.877 311 HD11 LEU 38 1HD1 LEU 38 3.065 2.694 -11.904 312 HD12 LEU 38 2HD1 LEU 38 1.657 2.158 -10.992 313 HD13 LEU 38 3HD1 LEU 38 2.152 1.281 -12.444 314 HD21 LEU 38 3HD2 LEU 38 3.249 -0.824 -9.474 315 HD22 LEU 38 1HD2 LEU 38 2.272 -0.899 -10.947 316 HD23 LEU 38 2HD2 LEU 38 1.762 0.113 -9.591 317 H ASP 39 H ASP 39 6.677 -2.600 -10.554 318 HA ASP 39 HA ASP 39 8.067 -2.597 -13.119 319 HB2 ASP 39 2HB ASP 39 9.828 -1.712 -11.611 320 HB3 ASP 39 3HB ASP 39 9.593 -3.057 -10.500 321 H GLY 40 H GLY 40 7.332 -4.420 -14.024 322 HA2 GLY 40 2HA GLY 40 6.627 -6.568 -14.377 323 HA3 GLY 40 3HA GLY 40 7.524 -7.027 -12.932 324 H ASN 41 H ASN 41 6.168 -8.150 -11.655 325 HA ASN 41 HA ASN 41 3.404 -7.179 -11.182 326 HB2 ASN 41 2HB ASN 41 4.624 -9.932 -10.710 327 HB3 ASN 41 3HB ASN 41 2.987 -9.473 -10.258 328 HD21 ASN 41 1HD2 ASN 41 1.503 -8.887 -11.977 329 HD22 ASN 41 2HD2 ASN 41 1.694 -9.585 -13.546 330 H ASP 42 H ASP 42 6.210 -6.482 -9.949 331 HA ASP 42 HA ASP 42 5.424 -6.649 -7.098 332 HB2 ASP 42 2HB ASP 42 7.698 -7.515 -7.749 333 HB3 ASP 42 3HB ASP 42 8.119 -5.915 -8.323 334 H LEU 43 H LEU 43 4.741 -4.862 -6.139 335 HA LEU 43 HA LEU 43 5.241 -2.166 -7.278 336 HB2 LEU 43 2HB LEU 43 2.919 -2.586 -7.664 337 HB3 LEU 43 3HB LEU 43 2.719 -3.400 -6.122 338 HG LEU 43 HG LEU 43 2.925 -1.216 -4.938 339 HD11 LEU 43 1HD1 LEU 43 2.834 0.912 -6.133 340 HD12 LEU 43 2HD1 LEU 43 2.999 0.069 -7.671 341 HD13 LEU 43 3HD1 LEU 43 4.314 0.027 -6.500 342 HD21 LEU 43 3HD2 LEU 43 0.762 -1.277 -7.053 343 HD22 LEU 43 1HD2 LEU 43 0.732 -0.329 -5.561 344 HD23 LEU 43 2HD2 LEU 43 0.725 -2.089 -5.485 345 H GLU 44 H GLU 44 6.838 -1.437 -5.937 346 HA GLU 44 HA GLU 44 6.607 -1.782 -3.023 347 HB2 GLU 44 2HB GLU 44 8.849 -2.109 -4.065 348 HB3 GLU 44 3HB GLU 44 8.805 -0.456 -4.677 349 HG2 GLU 44 2HG GLU 44 8.614 0.302 -2.222 350 HG3 GLU 44 3HG GLU 44 9.003 -1.365 -1.786 351 H ILE 45 H ILE 45 4.994 -0.414 -2.347 352 HA ILE 45 HA ILE 45 5.019 2.462 -3.009 353 HB ILE 45 HB ILE 45 3.268 0.942 -0.998 354 HG12 ILE 45 2HG1 ILE 45 2.525 1.755 -3.840 355 HG13 ILE 45 3HG1 ILE 45 2.957 0.122 -3.349 356 HG21 ILE 45 1HG2 ILE 45 2.867 3.710 -2.182 357 HG22 ILE 45 2HG2 ILE 45 3.381 3.358 -0.531 358 HG23 ILE 45 3HG2 ILE 45 1.765 2.893 -1.069 359 HD11 ILE 45 3HD1 ILE 45 1.006 0.057 -1.869 360 HD12 ILE 45 1HD1 ILE 45 0.574 0.349 -3.552 361 HD13 ILE 45 2HD1 ILE 45 0.557 1.682 -2.399 362 H ARG 46 H ARG 46 6.125 3.934 -1.612 363 HA ARG 46 HA ARG 46 6.950 2.919 1.059 364 HB2 ARG 46 2HB ARG 46 8.533 4.827 -0.724 365 HB3 ARG 46 3HB ARG 46 8.982 4.349 0.913 366 HG2 ARG 46 2HG ARG 46 9.027 1.941 0.057 367 HG3 ARG 46 3HG ARG 46 8.889 2.612 -1.570 368 HD2 ARG 46 2HD ARG 46 11.144 3.056 0.415 369 HD3 ARG 46 3HD ARG 46 11.220 2.146 -1.096 370 HE ARG 46 HE ARG 46 10.850 5.082 -0.912 371 HH11 ARG 46 1HH1 ARG 46 12.198 2.308 -2.613 372 HH12 ARG 46 2HH1 ARG 46 12.960 3.286 -3.831 373 HH21 ARG 46 1HH2 ARG 46 11.834 6.333 -2.530 374 HH22 ARG 46 2HH2 ARG 46 12.751 5.549 -3.779 375 H ILE 47 H ILE 47 5.716 3.818 2.491 376 HA ILE 47 HA ILE 47 4.805 6.624 2.202 377 HB ILE 47 HB ILE 47 3.465 4.391 3.805 378 HG12 ILE 47 2HG1 ILE 47 2.666 5.745 1.183 379 HG13 ILE 47 3HG1 ILE 47 3.177 4.074 1.374 380 HG21 ILE 47 1HG2 ILE 47 1.637 6.033 4.189 381 HG22 ILE 47 2HG2 ILE 47 2.580 7.274 3.358 382 HG23 ILE 47 3HG2 ILE 47 3.162 6.597 4.880 383 HD11 ILE 47 3HD1 ILE 47 1.144 3.634 2.689 384 HD12 ILE 47 1HD1 ILE 47 0.808 4.186 1.051 385 HD13 ILE 47 2HD1 ILE 47 0.622 5.296 2.408 386 H THR 48 H THR 48 5.842 7.968 3.436 387 HA THR 48 HA THR 48 6.979 7.232 6.050 388 HB THR 48 HB THR 48 8.566 8.577 3.799 389 HG1 THR 48 HG1 THR 48 8.886 6.585 3.183 390 HG21 THR 48 3HG2 THR 48 9.317 9.275 6.065 391 HG22 THR 48 1HG2 THR 48 10.532 8.292 5.245 392 HG23 THR 48 2HG2 THR 48 9.525 7.578 6.509 393 H GLY 49 H GLY 49 7.591 9.262 7.283 394 HA2 GLY 49 2HA GLY 49 7.378 11.580 7.711 395 HA3 GLY 49 3HA GLY 49 6.206 11.722 6.405 396 H VAL 50 H VAL 50 4.471 9.618 7.051 397 HA VAL 50 HA VAL 50 2.904 10.486 9.240 398 HB VAL 50 HB VAL 50 1.700 8.284 9.029 399 HG11 VAL 50 1HG1 VAL 50 2.189 9.631 6.349 400 HG12 VAL 50 2HG1 VAL 50 1.039 10.161 7.579 401 HG13 VAL 50 3HG1 VAL 50 0.804 8.614 6.766 402 HG21 VAL 50 3HG2 VAL 50 2.333 6.664 7.271 403 HG22 VAL 50 1HG2 VAL 50 3.616 6.829 8.474 404 HG23 VAL 50 2HG2 VAL 50 3.776 7.614 6.901 405 HA PRO 51 HA PRO 51 5.241 8.599 12.649 406 HB2 PRO 51 2HB PRO 51 3.239 8.498 14.564 407 HB3 PRO 51 3HB PRO 51 4.111 9.986 14.142 408 HG2 PRO 51 2HG PRO 51 1.413 9.063 13.223 409 HG3 PRO 51 3HG PRO 51 1.934 10.690 13.715 410 HD2 PRO 51 2HD PRO 51 1.682 9.983 11.101 411 HD3 PRO 51 3HD PRO 51 2.908 11.150 11.645 412 H GLU 52 H GLU 52 5.213 6.647 13.969 413 HA GLU 52 HA GLU 52 4.833 4.354 12.441 414 HB2 GLU 52 2HB GLU 52 6.513 4.699 14.292 415 HB3 GLU 52 3HB GLU 52 5.222 4.467 15.461 416 HG2 GLU 52 2HG GLU 52 6.536 2.434 15.217 417 HG3 GLU 52 3HG GLU 52 4.887 2.174 14.653 418 H GLN 53 H GLN 53 2.797 5.707 14.996 419 HA GLN 53 HA GLN 53 0.967 3.623 15.340 420 HB2 GLN 53 2HB GLN 53 -0.617 5.401 16.134 421 HB3 GLN 53 3HB GLN 53 0.974 5.491 16.880 422 HG2 GLN 53 2HG GLN 53 1.592 7.396 15.544 423 HG3 GLN 53 3HG GLN 53 0.163 7.228 14.530 424 HE21 GLN 53 1HE2 GLN 53 -1.865 7.853 15.366 425 HE22 GLN 53 2HE2 GLN 53 -1.997 8.914 16.729 426 H VAL 54 H VAL 54 1.031 6.227 12.930 427 HA VAL 54 HA VAL 54 -1.503 5.572 11.738 428 HB VAL 54 HB VAL 54 0.768 7.388 10.813 429 HG11 VAL 54 1HG1 VAL 54 -0.483 6.669 8.828 430 HG12 VAL 54 2HG1 VAL 54 -0.834 8.359 9.188 431 HG13 VAL 54 3HG1 VAL 54 -2.008 7.107 9.602 432 HG21 VAL 54 3HG2 VAL 54 -1.933 8.023 12.060 433 HG22 VAL 54 1HG2 VAL 54 -0.744 9.216 11.521 434 HG23 VAL 54 2HG2 VAL 54 -0.366 8.136 12.866 435 H ARG 55 H ARG 55 1.890 4.730 11.118 436 HA ARG 55 HA ARG 55 1.671 3.489 8.604 437 HB2 ARG 55 2HB ARG 55 3.488 2.725 10.928 438 HB3 ARG 55 3HB ARG 55 3.695 2.175 9.265 439 HG2 ARG 55 2HG ARG 55 4.025 4.552 8.563 440 HG3 ARG 55 3HG ARG 55 3.878 5.046 10.252 441 HD2 ARG 55 2HD ARG 55 5.861 3.437 10.698 442 HD3 ARG 55 3HD ARG 55 6.085 3.428 8.947 443 HE ARG 55 HE ARG 55 6.522 5.659 10.788 444 HH11 ARG 55 1HH1 ARG 55 6.557 4.565 7.453 445 HH12 ARG 55 2HH1 ARG 55 7.521 5.892 6.902 446 HH21 ARG 55 1HH2 ARG 55 7.790 7.368 10.086 447 HH22 ARG 55 2HH2 ARG 55 8.232 7.498 8.417 448 H LYS 56 H LYS 56 0.918 2.296 11.846 449 HA LYS 56 HA LYS 56 0.395 -0.410 11.235 450 HB2 LYS 56 2HB LYS 56 -0.927 1.265 13.413 451 HB3 LYS 56 3HB LYS 56 -0.846 -0.496 13.362 452 HG2 LYS 56 2HG LYS 56 1.502 1.397 13.645 453 HG3 LYS 56 3HG LYS 56 0.801 0.419 14.934 454 HD2 LYS 56 2HD LYS 56 1.613 -1.611 13.992 455 HD3 LYS 56 3HD LYS 56 1.924 -0.871 12.420 456 HE2 LYS 56 2HE LYS 56 4.019 -1.298 13.596 457 HE3 LYS 56 3HE LYS 56 3.771 0.436 13.400 458 HZ1 LYS 56 3HZ LYS 56 3.354 -1.153 15.870 459 HZ2 LYS 56 1HZ LYS 56 2.963 0.485 15.708 460 HZ3 LYS 56 2HZ LYS 56 4.568 -0.014 15.582 461 H GLU 57 H GLU 57 -1.673 2.464 11.109 462 HA GLU 57 HA GLU 57 -4.099 1.128 10.423 463 HB2 GLU 57 2HB GLU 57 -3.315 4.015 9.794 464 HB3 GLU 57 3HB GLU 57 -4.949 3.357 9.826 465 HG2 GLU 57 2HG GLU 57 -3.083 3.760 12.175 466 HG3 GLU 57 3HG GLU 57 -4.583 4.625 11.844 467 H LEU 58 H LEU 58 -1.422 2.503 8.543 468 HA LEU 58 HA LEU 58 -2.442 1.996 5.948 469 HB2 LEU 58 2HB LEU 58 0.318 2.503 7.060 470 HB3 LEU 58 3HB LEU 58 0.185 1.890 5.430 471 HG LEU 58 HG LEU 58 0.448 4.260 5.271 472 HD11 LEU 58 1HD1 LEU 58 -1.552 4.981 4.075 473 HD12 LEU 58 2HD1 LEU 58 -2.466 3.627 4.745 474 HD13 LEU 58 3HD1 LEU 58 -1.108 3.328 3.655 475 HD21 LEU 58 3HD2 LEU 58 -0.194 4.931 7.522 476 HD22 LEU 58 1HD2 LEU 58 -1.894 4.617 7.162 477 HD23 LEU 58 2HD2 LEU 58 -1.032 5.909 6.320 478 H ALA 59 H ALA 59 -0.832 -0.093 8.318 479 HA ALA 59 HA ALA 59 -0.420 -2.331 6.619 480 HB1 ALA 59 3HB ALA 59 0.723 -2.100 8.782 481 HB2 ALA 59 1HB ALA 59 -0.156 -3.628 8.683 482 HB3 ALA 59 2HB ALA 59 -0.812 -2.289 9.631 483 H LYS 60 H LYS 60 -3.181 -1.324 8.680 484 HA LYS 60 HA LYS 60 -4.824 -3.573 8.223 485 HB2 LYS 60 2HB LYS 60 -5.239 -0.829 9.296 486 HB3 LYS 60 3HB LYS 60 -6.662 -1.495 8.520 487 HG2 LYS 60 2HG LYS 60 -6.888 -2.028 10.803 488 HG3 LYS 60 3HG LYS 60 -6.413 -3.530 10.012 489 HD2 LYS 60 2HD LYS 60 -5.185 -3.389 12.064 490 HD3 LYS 60 3HD LYS 60 -4.034 -3.062 10.763 491 HE2 LYS 60 2HE LYS 60 -3.733 -1.530 12.673 492 HE3 LYS 60 3HE LYS 60 -4.181 -0.659 11.211 493 HZ1 LYS 60 3HZ LYS 60 -5.992 -1.346 13.468 494 HZ2 LYS 60 1HZ LYS 60 -6.464 -0.534 12.060 495 HZ3 LYS 60 2HZ LYS 60 -5.363 0.181 13.123 496 H GLU 61 H GLU 61 -4.354 -0.570 6.395 497 HA GLU 61 HA GLU 61 -6.393 -1.021 4.468 498 HB2 GLU 61 2HB GLU 61 -3.911 0.731 4.371 499 HB3 GLU 61 3HB GLU 61 -5.191 0.761 3.159 500 HG2 GLU 61 2HG GLU 61 -5.470 1.467 6.091 501 HG3 GLU 61 3HG GLU 61 -5.463 2.597 4.739 502 H ALA 62 H ALA 62 -2.921 -1.693 4.556 503 HA ALA 62 HA ALA 62 -2.461 -2.726 2.034 504 HB1 ALA 62 3HB ALA 62 -1.258 -3.655 4.668 505 HB2 ALA 62 1HB ALA 62 -0.722 -2.257 3.731 506 HB3 ALA 62 2HB ALA 62 -0.555 -3.878 3.065 507 H GLU 63 H GLU 63 -3.498 -4.453 4.966 508 HA GLU 63 HA GLU 63 -3.691 -7.032 3.823 509 HB2 GLU 63 2HB GLU 63 -4.848 -5.866 6.380 510 HB3 GLU 63 3HB GLU 63 -4.877 -7.584 5.980 511 HG2 GLU 63 2HG GLU 63 -2.439 -7.678 5.988 512 HG3 GLU 63 3HG GLU 63 -2.344 -5.935 6.248 513 H ARG 64 H ARG 64 -6.232 -4.531 4.397 514 HA ARG 64 HA ARG 64 -8.404 -6.252 3.689 515 HB2 ARG 64 2HB ARG 64 -9.813 -4.217 3.534 516 HB3 ARG 64 3HB ARG 64 -8.905 -4.291 5.038 517 HG2 ARG 64 2HG ARG 64 -7.460 -2.546 4.404 518 HG3 ARG 64 3HG ARG 64 -7.889 -2.666 2.699 519 HD2 ARG 64 2HD ARG 64 -9.837 -1.768 4.853 520 HD3 ARG 64 3HD ARG 64 -8.824 -0.655 3.932 521 HE ARG 64 HE ARG 64 -10.964 -2.370 2.814 522 HH11 ARG 64 1HH1 ARG 64 -8.918 0.493 2.526 523 HH12 ARG 64 2HH1 ARG 64 -9.739 1.074 1.113 524 HH21 ARG 64 1HH2 ARG 64 -11.982 -1.630 0.935 525 HH22 ARG 64 2HH2 ARG 64 -11.484 -0.137 0.205 526 H LEU 65 H LEU 65 -6.288 -4.113 1.829 527 HA LEU 65 HA LEU 65 -7.806 -4.352 -0.628 528 HB2 LEU 65 2HB LEU 65 -5.017 -3.276 -0.087 529 HB3 LEU 65 3HB LEU 65 -5.809 -3.211 -1.656 530 HG LEU 65 HG LEU 65 -6.838 -1.851 0.863 531 HD11 LEU 65 1HD1 LEU 65 -5.463 -0.632 -1.540 532 HD12 LEU 65 2HD1 LEU 65 -4.759 -0.852 0.064 533 HD13 LEU 65 3HD1 LEU 65 -6.127 0.235 -0.150 534 HD21 LEU 65 3HD2 LEU 65 -8.422 -0.697 -0.637 535 HD22 LEU 65 1HD2 LEU 65 -8.679 -2.440 -0.635 536 HD23 LEU 65 2HD2 LEU 65 -7.857 -1.673 -1.997 537 H ALA 66 H ALA 66 -5.080 -5.985 0.867 538 HA ALA 66 HA ALA 66 -4.094 -7.463 -1.302 539 HB1 ALA 66 3HB ALA 66 -3.190 -9.015 0.371 540 HB2 ALA 66 1HB ALA 66 -4.247 -8.324 1.608 541 HB3 ALA 66 2HB ALA 66 -2.969 -7.343 0.890 542 H LYS 67 H LYS 67 -6.609 -8.321 1.089 543 HA LYS 67 HA LYS 67 -7.312 -10.769 -0.259 544 HB2 LYS 67 2HB LYS 67 -8.992 -11.036 1.466 545 HB3 LYS 67 3HB LYS 67 -7.484 -10.503 2.200 546 HG2 LYS 67 2HG LYS 67 -8.407 -8.177 2.311 547 HG3 LYS 67 3HG LYS 67 -9.941 -8.787 1.685 548 HD2 LYS 67 2HD LYS 67 -8.617 -9.542 4.323 549 HD3 LYS 67 3HD LYS 67 -10.076 -8.576 4.113 550 HE2 LYS 67 2HE LYS 67 -11.271 -10.534 3.222 551 HE3 LYS 67 3HE LYS 67 -9.805 -11.507 3.350 552 HZ1 LYS 67 3HZ LYS 67 -11.270 -10.277 5.623 553 HZ2 LYS 67 1HZ LYS 67 -9.851 -11.178 5.749 554 HZ3 LYS 67 2HZ LYS 67 -11.272 -11.915 5.213 555 H GLU 68 H GLU 68 -8.388 -7.453 -0.426 556 HA GLU 68 HA GLU 68 -10.959 -7.744 -1.545 557 HB2 GLU 68 2HB GLU 68 -10.026 -5.598 -0.685 558 HB3 GLU 68 3HB GLU 68 -8.891 -5.549 -2.025 559 HG2 GLU 68 2HG GLU 68 -10.743 -4.007 -2.393 560 HG3 GLU 68 3HG GLU 68 -10.739 -5.280 -3.611 561 H PHE 69 H PHE 69 -7.781 -7.372 -3.096 562 HA PHE 69 HA PHE 69 -8.882 -8.010 -5.744 563 HB2 PHE 69 2HB PHE 69 -6.085 -7.039 -5.009 564 HB3 PHE 69 3HB PHE 69 -6.775 -7.119 -6.630 565 HD1 PHE 69 HD1 PHE 69 -9.108 -5.794 -6.885 566 HD2 PHE 69 HD2 PHE 69 -6.125 -4.933 -3.941 567 HE1 PHE 69 HE1 PHE 69 -10.030 -3.533 -6.589 568 HE2 PHE 69 HE2 PHE 69 -7.057 -2.677 -3.656 569 HZ PHE 69 HZ PHE 69 -9.011 -1.977 -4.975 570 H ASN 70 H ASN 70 -7.789 -9.767 -3.235 571 HA ASN 70 HA ASN 70 -6.914 -11.798 -2.840 572 HB2 ASN 70 2HB ASN 70 -8.754 -12.373 -4.519 573 HB3 ASN 70 3HB ASN 70 -7.517 -12.438 -5.765 574 HD21 ASN 70 1HD2 ASN 70 -8.714 -13.952 -2.837 575 HD22 ASN 70 2HD2 ASN 70 -7.934 -15.477 -3.073 576 H ILE 71 H ILE 71 -5.179 -9.655 -3.737 577 HA ILE 71 HA ILE 71 -2.879 -11.033 -4.982 578 HB ILE 71 HB ILE 71 -1.862 -8.765 -5.170 579 HG12 ILE 71 2HG1 ILE 71 -4.491 -7.747 -3.979 580 HG13 ILE 71 3HG1 ILE 71 -2.903 -7.643 -3.228 581 HG21 ILE 71 1HG2 ILE 71 -4.655 -8.909 -6.367 582 HG22 ILE 71 2HG2 ILE 71 -3.198 -9.643 -7.040 583 HG23 ILE 71 3HG2 ILE 71 -3.333 -7.887 -6.943 584 HD11 ILE 71 3HD1 ILE 71 -2.167 -6.130 -5.025 585 HD12 ILE 71 1HD1 ILE 71 -3.552 -5.507 -4.129 586 HD13 ILE 71 2HD1 ILE 71 -3.786 -6.202 -5.731 587 H THR 72 H THR 72 -0.775 -10.617 -4.054 588 HA THR 72 HA THR 72 -0.722 -11.274 -1.238 589 HB THR 72 HB THR 72 1.612 -10.925 -3.168 590 HG1 THR 72 HG1 THR 72 -0.364 -12.727 -3.280 591 HG21 THR 72 3HG2 THR 72 2.258 -11.108 -0.789 592 HG22 THR 72 1HG2 THR 72 2.775 -12.519 -1.718 593 HG23 THR 72 2HG2 THR 72 1.357 -12.620 -0.674 594 H VAL 73 H VAL 73 0.339 -10.032 0.339 595 HA VAL 73 HA VAL 73 1.519 -7.432 -0.395 596 HB VAL 73 HB VAL 73 -0.876 -7.124 0.462 597 HG11 VAL 73 1HG1 VAL 73 -1.316 -7.266 2.882 598 HG12 VAL 73 2HG1 VAL 73 0.286 -7.963 3.143 599 HG13 VAL 73 3HG1 VAL 73 -0.920 -8.849 2.207 600 HG21 VAL 73 3HG2 VAL 73 -0.345 -5.162 1.842 601 HG22 VAL 73 1HG2 VAL 73 0.748 -5.269 0.463 602 HG23 VAL 73 2HG2 VAL 73 1.306 -5.740 2.072 603 H THR 74 H THR 74 3.164 -6.742 0.953 604 HA THR 74 HA THR 74 3.684 -7.978 3.525 605 HB THR 74 HB THR 74 4.986 -9.432 1.984 606 HG1 THR 74 HG1 THR 74 5.803 -8.987 4.075 607 HG21 THR 74 3HG2 THR 74 6.941 -8.580 0.749 608 HG22 THR 74 1HG2 THR 74 6.531 -6.926 1.214 609 HG23 THR 74 2HG2 THR 74 5.456 -7.835 0.150 610 H TYR 75 H TYR 75 4.808 -6.522 4.886 611 HA TYR 75 HA TYR 75 5.576 -3.910 3.860 612 HB2 TYR 75 2HB TYR 75 3.974 -2.755 5.511 613 HB3 TYR 75 3HB TYR 75 3.256 -3.435 4.058 614 HD1 TYR 75 HD1 TYR 75 3.781 -4.106 7.710 615 HD2 TYR 75 HD2 TYR 75 1.477 -5.054 4.228 616 HE1 TYR 75 HE1 TYR 75 2.211 -5.390 9.089 617 HE2 TYR 75 HE2 TYR 75 -0.091 -6.339 5.622 618 HH TYR 75 HH TYR 75 -0.205 -7.430 7.741 619 H THR 76 H THR 76 6.668 -2.582 5.397 620 HA THR 76 HA THR 76 7.905 -4.107 7.627 621 HB THR 76 HB THR 76 9.027 -1.719 6.078 622 HG1 THR 76 HG1 THR 76 9.143 -3.447 4.707 623 HG21 THR 76 3HG2 THR 76 11.168 -2.259 7.209 624 HG22 THR 76 1HG2 THR 76 10.369 -3.524 8.133 625 HG23 THR 76 2HG2 THR 76 9.921 -1.834 8.386 626 H ILE 77 H ILE 77 7.179 -3.433 9.607 627 HA ILE 77 HA ILE 77 7.071 -0.575 10.257 628 HB ILE 77 HB ILE 77 4.909 -1.061 11.658 629 HG12 ILE 77 2HG1 ILE 77 4.692 -3.318 9.610 630 HG13 ILE 77 3HG1 ILE 77 4.753 -3.481 11.362 631 HG21 ILE 77 1HG2 ILE 77 3.432 -0.339 9.852 632 HG22 ILE 77 2HG2 ILE 77 4.652 -0.783 8.657 633 HG23 ILE 77 3HG2 ILE 77 4.970 0.526 9.797 634 HD11 ILE 77 3HD1 ILE 77 2.587 -2.433 11.565 635 HD12 ILE 77 1HD1 ILE 77 2.508 -3.803 10.464 636 HD13 ILE 77 2HD1 ILE 77 2.521 -2.156 9.822 637 H ARG 78 H ARG 78 7.381 -0.120 12.444 638 HA ARG 78 HA ARG 78 8.289 -2.332 14.188 639 HB2 ARG 78 2HB ARG 78 9.853 0.199 13.514 640 HB3 ARG 78 3HB ARG 78 10.269 -0.887 14.841 641 HG2 ARG 78 2HG ARG 78 10.538 -2.744 13.183 642 HG3 ARG 78 3HG ARG 78 10.231 -1.594 11.883 643 HD2 ARG 78 2HD ARG 78 12.247 -0.338 12.503 644 HD3 ARG 78 3HD ARG 78 12.534 -1.438 13.857 645 HE ARG 78 HE ARG 78 12.377 -2.983 11.530 646 HH11 ARG 78 1HH1 ARG 78 14.541 -0.569 12.903 647 HH12 ARG 78 2HH1 ARG 78 15.940 -1.184 12.088 648 HH21 ARG 78 1HH2 ARG 78 14.216 -3.772 10.463 649 HH22 ARG 78 2HH2 ARG 78 15.756 -3.004 10.699 650 H GLY 79 H GLY 79 9.201 -0.391 16.275 651 HA2 GLY 79 2HA GLY 79 8.037 1.605 17.268 652 HA3 GLY 79 3HA GLY 79 6.546 0.696 17.098 653 H SER 80 H SER 80 6.523 -1.444 18.212 654 HA SER 80 HA SER 80 7.017 -0.915 21.001 655 HB2 SER 80 2HB SER 80 4.859 -1.815 20.209 656 HB3 SER 80 3HB SER 80 5.657 -3.284 19.652 657 HG SER 80 HG SER 80 5.906 -3.941 21.694 658 H LEU 81 H LEU 81 8.235 -3.203 18.593 659 HA LEU 81 HA LEU 81 9.785 -4.842 20.277 660 HB2 LEU 81 2HB LEU 81 11.144 -5.432 18.280 661 HB3 LEU 81 3HB LEU 81 9.421 -5.648 18.059 662 HG LEU 81 HG LEU 81 10.566 -3.027 17.109 663 HD11 LEU 81 1HD1 LEU 81 11.009 -5.577 15.534 664 HD12 LEU 81 2HD1 LEU 81 12.266 -4.604 16.304 665 HD13 LEU 81 3HD1 LEU 81 11.317 -3.926 14.983 666 HD21 LEU 81 3HD2 LEU 81 8.484 -4.936 16.017 667 HD22 LEU 81 1HD2 LEU 81 8.904 -3.373 15.318 668 HD23 LEU 81 2HD2 LEU 81 8.187 -3.454 16.921 669 H GLU 82 H GLU 82 10.412 -1.679 18.927 670 HA GLU 82 HA GLU 82 13.157 -1.421 19.680 671 HB2 GLU 82 2HB GLU 82 11.012 0.756 19.424 672 HB3 GLU 82 3HB GLU 82 12.751 1.036 19.472 673 HG2 GLU 82 2HG GLU 82 13.040 -0.110 17.337 674 HG3 GLU 82 3HG GLU 82 11.334 -0.544 17.293 675 H HIS 83 H HIS 83 13.360 -2.322 21.705 676 HA HIS 83 HA HIS 83 11.442 -2.126 23.770 677 HB2 HIS 83 2HB HIS 83 13.243 -3.335 25.156 678 HB3 HIS 83 3HB HIS 83 12.679 -4.142 23.700 679 HD1 HIS 83 HD1 HIS 83 14.502 -5.117 22.346 680 HD2 HIS 83 HD2 HIS 83 15.831 -1.834 24.524 681 HE1 HIS 83 HE1 HIS 83 16.958 -4.930 21.863 682 HE2 HIS 83 HE2 HIS 83 17.753 -2.995 23.259 683 H HIS 84 H HIS 84 11.439 -1.134 25.716 684 HA HIS 84 HA HIS 84 13.458 0.957 26.314 685 HB2 HIS 84 2HB HIS 84 10.431 1.169 26.748 686 HB3 HIS 84 3HB HIS 84 11.626 2.393 27.178 687 HD1 HIS 84 HD1 HIS 84 9.346 1.487 24.542 688 HD2 HIS 84 HD2 HIS 84 13.031 3.397 24.710 689 HE1 HIS 84 HE1 HIS 84 9.580 2.689 22.352 690 HE2 HIS 84 HE2 HIS 84 11.908 3.636 22.403 691 H HIS 85 H HIS 85 14.098 1.024 28.424 692 HA HIS 85 HA HIS 85 13.727 -1.166 30.187 693 HB2 HIS 85 2HB HIS 85 14.776 1.647 30.812 694 HB3 HIS 85 3HB HIS 85 14.928 0.256 31.880 695 HD1 HIS 85 HD1 HIS 85 17.005 -1.081 31.635 696 HD2 HIS 85 HD2 HIS 85 16.310 1.317 28.319 697 HE1 HIS 85 HE1 HIS 85 19.070 -1.263 30.222 698 HE2 HIS 85 HE2 HIS 85 18.540 0.048 28.149 699 H HIS 86 H HIS 86 11.928 -1.581 31.391 700 HA HIS 86 HA HIS 86 9.833 0.377 31.789 701 HB2 HIS 86 2HB HIS 86 10.108 -2.466 32.880 702 HB3 HIS 86 3HB HIS 86 8.674 -1.462 33.054 703 HD1 HIS 86 HD1 HIS 86 6.920 -2.121 31.449 704 HD2 HIS 86 HD2 HIS 86 10.714 -2.719 29.851 705 HE1 HIS 86 HE1 HIS 86 6.547 -3.090 29.168 706 HE2 HIS 86 HE2 HIS 86 8.850 -3.518 28.258 707 H HIS 87 H HIS 87 10.162 1.968 33.242 708 HA HIS 87 HA HIS 87 11.093 1.452 35.948 709 HB2 HIS 87 2HB HIS 87 13.095 2.808 35.859 710 HB3 HIS 87 3HB HIS 87 13.220 1.659 34.535 711 HD1 HIS 87 HD1 HIS 87 11.761 3.034 32.291 712 HD2 HIS 87 HD2 HIS 87 14.220 5.117 34.915 713 HE1 HIS 87 HE1 HIS 87 12.415 5.124 31.080 714 HE2 HIS 87 HE2 HIS 87 13.679 6.468 32.789 715 H HIS 88 H HIS 88 11.387 3.704 37.083 716 HA HIS 88 HA HIS 88 9.503 5.737 36.017 717 HB2 HIS 88 2HB HIS 88 10.028 4.962 38.927 718 HB3 HIS 88 3HB HIS 88 9.158 6.414 38.448 719 HD1 HIS 88 HD1 HIS 88 8.671 2.843 39.114 720 HD2 HIS 88 HD2 HIS 88 6.646 5.846 37.067 721 HE1 HIS 88 HE1 HIS 88 6.340 1.973 38.755 722 HE2 HIS 88 HE2 HIS 88 5.102 3.873 37.681 Start of MODEL 3 1 H1 MET 1 1H MET 1 13.776 5.527 12.110 2 H2 MET 1 2H MET 1 12.147 5.102 12.254 3 H3 MET 1 3H MET 1 12.619 6.718 12.424 4 HA MET 1 HA MET 1 13.259 6.870 10.171 5 HB2 MET 1 2HB MET 1 14.039 4.497 9.943 6 HB3 MET 1 3HB MET 1 12.366 3.952 9.925 7 HG2 MET 1 2HG MET 1 13.294 4.004 7.662 8 HG3 MET 1 3HG MET 1 11.998 5.193 7.815 9 HE1 MET 1 3HE MET 1 15.943 4.697 7.682 10 HE2 MET 1 1HE MET 1 15.727 5.573 9.200 11 HE3 MET 1 2HE MET 1 16.495 6.365 7.824 12 H GLY 2 H GLY 2 11.715 8.069 9.192 13 HA2 GLY 2 2HA GLY 2 8.945 7.812 10.101 14 HA3 GLY 2 3HA GLY 2 9.655 9.163 9.233 15 H GLU 3 H GLU 3 9.541 5.673 8.425 16 HA GLU 3 HA GLU 3 8.037 6.173 5.978 17 HB2 GLU 3 2HB GLU 3 10.321 6.876 5.381 18 HB3 GLU 3 3HB GLU 3 10.988 5.357 5.940 19 HG2 GLU 3 2HG GLU 3 8.971 5.311 3.689 20 HG3 GLU 3 3HG GLU 3 10.612 5.849 3.346 21 H MET 4 H MET 4 6.925 4.429 5.404 22 HA MET 4 HA MET 4 7.465 1.764 6.594 23 HB2 MET 4 2HB MET 4 5.362 2.668 7.479 24 HB3 MET 4 3HB MET 4 4.811 3.111 5.866 25 HG2 MET 4 2HG MET 4 4.700 0.710 5.266 26 HG3 MET 4 3HG MET 4 5.220 0.290 6.903 27 HE1 MET 4 3HE MET 4 2.683 -1.055 5.855 28 HE2 MET 4 1HE MET 4 1.518 -0.764 7.145 29 HE3 MET 4 2HE MET 4 3.182 -1.187 7.544 30 H ASP 5 H ASP 5 7.536 0.003 5.086 31 HA ASP 5 HA ASP 5 7.144 0.651 2.242 32 HB2 ASP 5 2HB ASP 5 9.349 -0.325 2.895 33 HB3 ASP 5 3HB ASP 5 8.545 -1.696 3.648 34 H ILE 6 H ILE 6 5.299 -0.122 1.352 35 HA ILE 6 HA ILE 6 4.085 -2.631 2.349 36 HB ILE 6 HB ILE 6 2.578 -0.303 1.010 37 HG12 ILE 6 2HG1 ILE 6 2.515 -1.089 3.967 38 HG13 ILE 6 3HG1 ILE 6 3.333 0.324 3.315 39 HG21 ILE 6 1HG2 ILE 6 1.532 -2.854 2.311 40 HG22 ILE 6 2HG2 ILE 6 1.597 -2.523 0.579 41 HG23 ILE 6 3HG2 ILE 6 0.542 -1.568 1.618 42 HD11 ILE 6 3HD1 ILE 6 1.182 1.229 2.580 43 HD12 ILE 6 1HD1 ILE 6 1.239 0.937 4.317 44 HD13 ILE 6 2HD1 ILE 6 0.364 -0.178 3.270 45 H ARG 7 H ARG 7 4.798 -4.063 0.826 46 HA ARG 7 HA ARG 7 4.800 -3.284 -2.021 47 HB2 ARG 7 2HB ARG 7 6.978 -4.068 -1.063 48 HB3 ARG 7 3HB ARG 7 6.249 -5.634 -0.717 49 HG2 ARG 7 2HG ARG 7 5.858 -6.006 -3.124 50 HG3 ARG 7 3HG ARG 7 6.533 -4.416 -3.495 51 HD2 ARG 7 2HD ARG 7 8.015 -6.776 -2.285 52 HD3 ARG 7 3HD ARG 7 8.187 -6.145 -3.926 53 HE ARG 7 HE ARG 7 9.049 -4.795 -1.447 54 HH11 ARG 7 1HH1 ARG 7 9.320 -5.113 -4.957 55 HH12 ARG 7 2HH1 ARG 7 10.681 -4.039 -5.056 56 HH21 ARG 7 1HH2 ARG 7 10.801 -3.420 -1.593 57 HH22 ARG 7 2HH2 ARG 7 11.520 -3.075 -3.134 58 H PHE 8 H PHE 8 3.338 -4.126 -3.310 59 HA PHE 8 HA PHE 8 1.669 -6.438 -2.510 60 HB2 PHE 8 2HB PHE 8 1.169 -4.133 -4.462 61 HB3 PHE 8 3HB PHE 8 0.164 -5.574 -4.425 62 HD1 PHE 8 HD2 PHE 8 -1.378 -5.996 -2.545 63 HD2 PHE 8 HD1 PHE 8 0.994 -2.437 -2.676 64 HE1 PHE 8 HE2 PHE 8 -2.824 -4.969 -0.840 65 HE2 PHE 8 HE1 PHE 8 -0.457 -1.424 -0.972 66 HZ PHE 8 HZ PHE 8 -2.366 -2.678 -0.052 67 H ARG 9 H ARG 9 1.698 -8.227 -3.822 68 HA ARG 9 HA ARG 9 3.010 -8.094 -6.470 69 HB2 ARG 9 2HB ARG 9 4.304 -9.352 -4.515 70 HB3 ARG 9 3HB ARG 9 3.120 -10.623 -4.751 71 HG2 ARG 9 2HG ARG 9 4.913 -9.560 -6.968 72 HG3 ARG 9 3HG ARG 9 5.321 -10.943 -5.957 73 HD2 ARG 9 2HD ARG 9 3.456 -12.223 -6.840 74 HD3 ARG 9 3HD ARG 9 2.839 -10.813 -7.705 75 HE ARG 9 HE ARG 9 4.845 -10.892 -9.101 76 HH11 ARG 9 1HH1 ARG 9 4.005 -13.851 -7.390 77 HH12 ARG 9 2HH1 ARG 9 4.842 -14.870 -8.517 78 HH21 ARG 9 1HH2 ARG 9 5.897 -12.221 -10.563 79 HH22 ARG 9 2HH2 ARG 9 5.920 -13.940 -10.324 80 H GLY 10 H GLY 10 1.749 -8.917 -8.083 81 HA2 GLY 10 2HA GLY 10 -0.596 -10.593 -7.423 82 HA3 GLY 10 3HA GLY 10 -0.859 -9.051 -8.237 83 H ASP 11 H ASP 11 -1.628 -11.498 -9.290 84 HA ASP 11 HA ASP 11 0.150 -12.286 -11.419 85 HB2 ASP 11 2HB ASP 11 -1.541 -13.833 -10.471 86 HB3 ASP 11 3HB ASP 11 -2.838 -12.781 -11.019 87 H ASP 12 H ASP 12 -2.345 -9.875 -10.973 88 HA ASP 12 HA ASP 12 -1.965 -8.957 -13.750 89 HB2 ASP 12 2HB ASP 12 -4.214 -8.102 -13.750 90 HB3 ASP 12 3HB ASP 12 -4.262 -9.806 -13.381 91 H LEU 13 H LEU 13 -1.232 -6.974 -14.008 92 HA LEU 13 HA LEU 13 -0.152 -5.391 -11.948 93 HB2 LEU 13 2HB LEU 13 0.366 -5.565 -14.520 94 HB3 LEU 13 3HB LEU 13 -0.840 -4.315 -14.717 95 HG LEU 13 HG LEU 13 1.658 -3.949 -12.992 96 HD11 LEU 13 1HD1 LEU 13 1.303 -3.232 -15.928 97 HD12 LEU 13 2HD1 LEU 13 2.386 -4.457 -15.261 98 HD13 LEU 13 3HD1 LEU 13 2.669 -2.756 -14.910 99 HD21 LEU 13 3HD2 LEU 13 -0.128 -2.309 -12.534 100 HD22 LEU 13 1HD2 LEU 13 -0.167 -1.864 -14.241 101 HD23 LEU 13 2HD2 LEU 13 1.277 -1.547 -13.274 102 H GLU 14 H GLU 14 -3.349 -5.500 -13.287 103 HA GLU 14 HA GLU 14 -4.207 -2.828 -12.860 104 HB2 GLU 14 2HB GLU 14 -5.781 -5.420 -13.123 105 HB3 GLU 14 3HB GLU 14 -6.553 -3.844 -12.966 106 HG2 GLU 14 2HG GLU 14 -6.519 -4.531 -15.288 107 HG3 GLU 14 3HG GLU 14 -5.503 -3.108 -15.068 108 H ALA 15 H ALA 15 -4.565 -5.797 -10.905 109 HA ALA 15 HA ALA 15 -6.122 -4.707 -8.826 110 HB1 ALA 15 3HB ALA 15 -5.462 -6.734 -7.587 111 HB2 ALA 15 1HB ALA 15 -4.208 -7.059 -8.793 112 HB3 ALA 15 2HB ALA 15 -5.908 -7.111 -9.256 113 H LEU 16 H LEU 16 -2.651 -4.773 -9.389 114 HA LEU 16 HA LEU 16 -1.744 -3.826 -6.875 115 HB2 LEU 16 2HB LEU 16 -0.480 -3.325 -9.605 116 HB3 LEU 16 3HB LEU 16 0.329 -3.215 -8.050 117 HG LEU 16 HG LEU 16 -0.692 -5.774 -9.358 118 HD11 LEU 16 1HD1 LEU 16 1.307 -4.861 -10.458 119 HD12 LEU 16 2HD1 LEU 16 1.677 -6.361 -9.614 120 HD13 LEU 16 3HD1 LEU 16 2.158 -4.814 -8.910 121 HD21 LEU 16 3HD2 LEU 16 -0.900 -5.923 -6.924 122 HD22 LEU 16 1HD2 LEU 16 0.788 -5.438 -6.729 123 HD23 LEU 16 2HD2 LEU 16 0.388 -6.972 -7.509 124 H GLU 17 H GLU 17 -2.807 -2.194 -9.857 125 HA GLU 17 HA GLU 17 -2.208 0.478 -9.128 126 HB2 GLU 17 2HB GLU 17 -4.332 -0.501 -11.095 127 HB3 GLU 17 3HB GLU 17 -3.679 1.134 -11.003 128 HG2 GLU 17 2HG GLU 17 -1.452 0.290 -11.644 129 HG3 GLU 17 3HG GLU 17 -2.099 -1.346 -11.731 130 H LYS 18 H LYS 18 -5.218 -1.433 -8.769 131 HA LYS 18 HA LYS 18 -6.794 0.766 -7.799 132 HB2 LYS 18 2HB LYS 18 -7.241 -2.242 -7.754 133 HB3 LYS 18 3HB LYS 18 -8.355 -1.142 -6.960 134 HG2 LYS 18 2HG LYS 18 -9.312 -1.672 -9.073 135 HG3 LYS 18 3HG LYS 18 -8.723 -0.013 -9.202 136 HD2 LYS 18 2HD LYS 18 -6.708 -0.839 -10.390 137 HD3 LYS 18 3HD LYS 18 -7.306 -2.493 -10.244 138 HE2 LYS 18 2HE LYS 18 -7.779 -1.729 -12.468 139 HE3 LYS 18 3HE LYS 18 -9.313 -1.811 -11.601 140 HZ1 LYS 18 3HZ LYS 18 -9.099 0.204 -12.931 141 HZ2 LYS 18 1HZ LYS 18 -7.725 0.659 -12.058 142 HZ3 LYS 18 2HZ LYS 18 -9.228 0.575 -11.287 143 H ALA 19 H ALA 19 -4.960 -1.870 -6.197 144 HA ALA 19 HA ALA 19 -5.465 -1.132 -3.514 145 HB1 ALA 19 3HB ALA 19 -3.421 -2.416 -2.992 146 HB2 ALA 19 1HB ALA 19 -2.994 -2.433 -4.709 147 HB3 ALA 19 2HB ALA 19 -4.441 -3.273 -4.149 148 H LEU 20 H LEU 20 -2.888 -0.193 -5.752 149 HA LEU 20 HA LEU 20 -1.298 1.483 -4.226 150 HB2 LEU 20 2HB LEU 20 -0.684 0.737 -6.486 151 HB3 LEU 20 3HB LEU 20 -1.987 1.672 -7.188 152 HG LEU 20 HG LEU 20 -0.839 3.776 -6.572 153 HD11 LEU 20 1HD1 LEU 20 1.435 3.792 -5.672 154 HD12 LEU 20 2HD1 LEU 20 1.384 2.039 -5.460 155 HD13 LEU 20 3HD1 LEU 20 0.296 3.078 -4.534 156 HD21 LEU 20 3HD2 LEU 20 0.978 1.871 -8.099 157 HD22 LEU 20 1HD2 LEU 20 1.040 3.637 -8.149 158 HD23 LEU 20 2HD2 LEU 20 -0.371 2.790 -8.773 159 H LYS 21 H LYS 21 -4.186 2.265 -6.109 160 HA LYS 21 HA LYS 21 -4.241 5.046 -5.868 161 HB2 LYS 21 2HB LYS 21 -5.678 3.834 -7.439 162 HB3 LYS 21 3HB LYS 21 -6.514 3.028 -6.118 163 HG2 LYS 21 2HG LYS 21 -7.478 5.204 -5.398 164 HG3 LYS 21 3HG LYS 21 -6.627 6.011 -6.718 165 HD2 LYS 21 2HD LYS 21 -8.979 5.629 -7.308 166 HD3 LYS 21 3HD LYS 21 -7.919 4.699 -8.369 167 HE2 LYS 21 2HE LYS 21 -9.805 3.323 -7.736 168 HE3 LYS 21 3HE LYS 21 -8.368 2.675 -6.944 169 HZ1 LYS 21 3HZ LYS 21 -9.045 3.804 -4.905 170 HZ2 LYS 21 1HZ LYS 21 -10.256 2.753 -5.438 171 HZ3 LYS 21 2HZ LYS 21 -10.417 4.417 -5.674 172 H GLU 22 H GLU 22 -5.567 2.515 -3.770 173 HA GLU 22 HA GLU 22 -6.774 4.311 -1.893 174 HB2 GLU 22 2HB GLU 22 -6.149 1.342 -1.717 175 HB3 GLU 22 3HB GLU 22 -7.079 2.234 -0.515 176 HG2 GLU 22 2HG GLU 22 -7.848 1.892 -3.430 177 HG3 GLU 22 3HG GLU 22 -8.509 0.962 -2.089 178 H MET 23 H MET 23 -3.662 2.487 -1.903 179 HA MET 23 HA MET 23 -2.769 3.213 0.645 180 HB2 MET 23 2HB MET 23 -1.156 2.713 -1.884 181 HB3 MET 23 3HB MET 23 -0.486 2.737 -0.259 182 HG2 MET 23 2HG MET 23 -2.694 0.794 -0.848 183 HG3 MET 23 3HG MET 23 -1.091 0.469 -1.486 184 HE1 MET 23 3HE MET 23 -2.492 1.874 1.991 185 HE2 MET 23 1HE MET 23 -2.223 0.442 2.984 186 HE3 MET 23 2HE MET 23 -3.382 0.387 1.657 187 H ILE 24 H ILE 24 -2.421 4.882 -2.470 188 HA ILE 24 HA ILE 24 -0.871 7.097 -1.639 189 HB ILE 24 HB ILE 24 -2.803 6.715 -3.985 190 HG12 ILE 24 2HG1 ILE 24 0.258 6.778 -3.873 191 HG13 ILE 24 3HG1 ILE 24 -0.739 5.349 -4.112 192 HG21 ILE 24 1HG2 ILE 24 -2.760 9.112 -3.479 193 HG22 ILE 24 2HG2 ILE 24 -1.920 8.789 -4.993 194 HG23 ILE 24 3HG2 ILE 24 -0.995 9.112 -3.525 195 HD11 ILE 24 3HD1 ILE 24 -1.507 6.269 -6.266 196 HD12 ILE 24 1HD1 ILE 24 0.240 6.049 -6.195 197 HD13 ILE 24 2HD1 ILE 24 -0.447 7.663 -6.028 198 H ARG 25 H ARG 25 -4.334 6.579 -1.976 199 HA ARG 25 HA ARG 25 -5.400 9.060 -1.347 200 HB2 ARG 25 2HB ARG 25 -6.684 7.193 -2.302 201 HB3 ARG 25 3HB ARG 25 -6.465 6.249 -0.837 202 HG2 ARG 25 2HG ARG 25 -7.864 7.936 0.394 203 HG3 ARG 25 3HG ARG 25 -8.148 8.754 -1.146 204 HD2 ARG 25 2HD ARG 25 -9.190 6.704 -2.050 205 HD3 ARG 25 3HD ARG 25 -8.885 5.874 -0.519 206 HE ARG 25 HE ARG 25 -10.453 8.281 -0.276 207 HH11 ARG 25 1HH1 ARG 25 -10.619 4.800 -0.849 208 HH12 ARG 25 2HH1 ARG 25 -12.274 4.680 -0.337 209 HH21 ARG 25 1HH2 ARG 25 -12.635 8.111 0.363 210 HH22 ARG 25 2HH2 ARG 25 -13.414 6.562 0.348 211 H GLN 26 H GLN 26 -4.673 6.324 0.829 212 HA GLN 26 HA GLN 26 -5.571 7.543 3.229 213 HB2 GLN 26 2HB GLN 26 -3.505 5.322 2.902 214 HB3 GLN 26 3HB GLN 26 -4.324 5.749 4.399 215 HG2 GLN 26 2HG GLN 26 -5.580 4.519 1.933 216 HG3 GLN 26 3HG GLN 26 -5.270 3.719 3.465 217 HE21 GLN 26 1HE2 GLN 26 -7.768 3.986 2.016 218 HE22 GLN 26 2HE2 GLN 26 -8.869 4.797 3.068 219 H ALA 27 H ALA 27 -2.329 7.141 1.798 220 HA ALA 27 HA ALA 27 -0.761 8.321 3.765 221 HB1 ALA 27 3HB ALA 27 0.934 8.597 2.004 222 HB2 ALA 27 1HB ALA 27 -0.304 8.320 0.769 223 HB3 ALA 27 2HB ALA 27 0.135 7.028 1.886 224 H ARG 28 H ARG 28 -2.472 9.834 1.058 225 HA ARG 28 HA ARG 28 -1.369 12.451 1.401 226 HB2 ARG 28 2HB ARG 28 -3.798 11.479 -0.167 227 HB3 ARG 28 3HB ARG 28 -3.229 13.145 -0.182 228 HG2 ARG 28 2HG ARG 28 -1.008 12.253 -1.073 229 HG3 ARG 28 3HG ARG 28 -1.809 10.698 -1.282 230 HD2 ARG 28 2HD ARG 28 -3.361 11.611 -2.869 231 HD3 ARG 28 3HD ARG 28 -2.863 13.268 -2.512 232 HE ARG 28 HE ARG 28 -0.571 12.294 -3.408 233 HH11 ARG 28 1HH1 ARG 28 -3.793 11.828 -4.758 234 HH12 ARG 28 2HH1 ARG 28 -3.220 11.676 -6.392 235 HH21 ARG 28 1HH2 ARG 28 0.168 12.144 -5.550 236 HH22 ARG 28 2HH2 ARG 28 -0.961 11.856 -6.832 237 H LYS 29 H LYS 29 -4.456 10.905 2.423 238 HA LYS 29 HA LYS 29 -5.609 13.337 3.441 239 HB2 LYS 29 2HB LYS 29 -7.405 11.979 4.356 240 HB3 LYS 29 3HB LYS 29 -7.027 11.419 2.731 241 HG2 LYS 29 2HG LYS 29 -5.757 9.526 3.698 242 HG3 LYS 29 3HG LYS 29 -6.181 10.076 5.318 243 HD2 LYS 29 2HD LYS 29 -8.151 9.142 3.184 244 HD3 LYS 29 3HD LYS 29 -7.616 8.200 4.576 245 HE2 LYS 29 2HE LYS 29 -8.611 9.973 6.069 246 HE3 LYS 29 3HE LYS 29 -9.269 10.747 4.627 247 HZ1 LYS 29 3HZ LYS 29 -9.890 7.991 5.552 248 HZ2 LYS 29 1HZ LYS 29 -10.524 8.728 4.167 249 HZ3 LYS 29 2HZ LYS 29 -10.900 9.337 5.699 250 H PHE 30 H PHE 30 -3.586 10.822 4.849 251 HA PHE 30 HA PHE 30 -3.777 11.810 7.573 252 HB2 PHE 30 2HB PHE 30 -1.961 9.764 6.241 253 HB3 PHE 30 3HB PHE 30 -1.813 10.193 7.939 254 HD1 PHE 30 HD1 PHE 30 -4.271 10.104 9.210 255 HD2 PHE 30 HD2 PHE 30 -3.068 7.740 5.858 256 HE1 PHE 30 HE1 PHE 30 -5.872 8.346 9.853 257 HE2 PHE 30 HE2 PHE 30 -4.676 6.002 6.498 258 HZ PHE 30 HZ PHE 30 -6.070 6.292 8.492 259 H ALA 31 H ALA 31 -2.403 13.194 4.949 260 HA ALA 31 HA ALA 31 -1.075 14.972 4.620 261 HB1 ALA 31 3HB ALA 31 -0.849 15.125 7.643 262 HB2 ALA 31 1HB ALA 31 -2.095 15.895 6.659 263 HB3 ALA 31 2HB ALA 31 -0.411 16.399 6.502 264 H GLY 32 H GLY 32 -0.020 12.262 4.767 265 HA2 GLY 32 2HA GLY 32 2.865 12.837 5.117 266 HA3 GLY 32 3HA GLY 32 2.128 11.243 4.998 267 H THR 33 H THR 33 4.096 11.357 3.402 268 HA THR 33 HA THR 33 3.201 12.122 0.686 269 HB THR 33 HB THR 33 6.035 11.572 1.736 270 HG1 THR 33 HG1 THR 33 4.636 14.002 1.194 271 HG21 THR 33 3HG2 THR 33 5.833 11.096 -0.682 272 HG22 THR 33 1HG2 THR 33 6.805 12.541 -0.396 273 HG23 THR 33 2HG2 THR 33 5.136 12.698 -0.946 274 H VAL 34 H VAL 34 3.651 10.496 -1.029 275 HA VAL 34 HA VAL 34 4.078 7.732 -0.144 276 HB VAL 34 HB VAL 34 1.664 7.959 -0.136 277 HG11 VAL 34 1HG1 VAL 34 0.331 8.629 -2.088 278 HG12 VAL 34 2HG1 VAL 34 1.810 8.979 -2.985 279 HG13 VAL 34 3HG1 VAL 34 1.400 9.929 -1.556 280 HG21 VAL 34 3HG2 VAL 34 1.017 6.207 -1.762 281 HG22 VAL 34 1HG2 VAL 34 2.533 5.816 -0.946 282 HG23 VAL 34 2HG2 VAL 34 2.553 6.420 -2.604 283 H THR 35 H THR 35 5.431 6.741 -1.428 284 HA THR 35 HA THR 35 5.974 7.655 -4.201 285 HB THR 35 HB THR 35 7.944 6.290 -2.278 286 HG1 THR 35 HG1 THR 35 7.225 8.507 -1.685 287 HG21 THR 35 3HG2 THR 35 9.672 7.069 -3.847 288 HG22 THR 35 1HG2 THR 35 8.440 7.792 -4.886 289 HG23 THR 35 2HG2 THR 35 8.512 6.038 -4.682 290 H TYR 36 H TYR 36 6.467 5.864 -5.704 291 HA TYR 36 HA TYR 36 6.050 3.139 -4.792 292 HB2 TYR 36 2HB TYR 36 4.168 2.660 -6.327 293 HB3 TYR 36 3HB TYR 36 3.738 3.842 -5.101 294 HD1 TYR 36 HD2 TYR 36 3.326 6.217 -5.731 295 HD2 TYR 36 HD1 TYR 36 4.227 3.272 -8.697 296 HE1 TYR 36 HE2 TYR 36 2.540 7.742 -7.485 297 HE2 TYR 36 HE1 TYR 36 3.440 4.799 -10.448 298 HH TYR 36 HH TYR 36 1.935 6.757 -10.669 299 H THR 37 H THR 37 6.854 1.596 -6.110 300 HA THR 37 HA THR 37 8.108 2.354 -8.677 301 HB THR 37 HB THR 37 8.919 0.004 -6.874 302 HG1 THR 37 HG1 THR 37 9.904 1.436 -5.691 303 HG21 THR 37 3HG2 THR 37 9.567 -0.206 -9.273 304 HG22 THR 37 1HG2 THR 37 10.978 -0.010 -8.232 305 HG23 THR 37 2HG2 THR 37 10.390 1.354 -9.186 306 H LEU 38 H LEU 38 6.821 1.590 -10.317 307 HA LEU 38 HA LEU 38 5.336 -0.920 -10.021 308 HB2 LEU 38 2HB LEU 38 5.356 1.253 -12.138 309 HB3 LEU 38 3HB LEU 38 4.605 -0.303 -12.460 310 HG LEU 38 HG LEU 38 3.789 1.561 -10.182 311 HD11 LEU 38 1HD1 LEU 38 3.227 2.548 -12.361 312 HD12 LEU 38 2HD1 LEU 38 1.782 2.059 -11.483 313 HD13 LEU 38 3HD1 LEU 38 2.371 1.073 -12.824 314 HD21 LEU 38 3HD2 LEU 38 1.832 0.096 -9.950 315 HD22 LEU 38 1HD2 LEU 38 3.333 -0.782 -9.661 316 HD23 LEU 38 2HD2 LEU 38 2.473 -0.984 -11.192 317 H ASP 39 H ASP 39 6.077 -2.747 -10.700 318 HA ASP 39 HA ASP 39 8.309 -2.989 -12.634 319 HB2 ASP 39 2HB ASP 39 9.121 -3.067 -10.218 320 HB3 ASP 39 3HB ASP 39 8.076 -4.449 -9.951 321 H GLY 40 H GLY 40 8.466 -5.535 -13.133 322 HA2 GLY 40 2HA GLY 40 6.102 -6.307 -14.403 323 HA3 GLY 40 3HA GLY 40 7.495 -7.338 -14.128 324 H ASN 41 H ASN 41 4.393 -6.336 -12.978 325 HA ASN 41 HA ASN 41 2.859 -7.082 -11.529 326 HB2 ASN 41 2HB ASN 41 4.269 -9.674 -12.187 327 HB3 ASN 41 3HB ASN 41 2.945 -9.653 -11.028 328 HD21 ASN 41 1HD2 ASN 41 0.898 -8.823 -11.750 329 HD22 ASN 41 2HD2 ASN 41 0.432 -9.003 -13.405 330 H ASP 42 H ASP 42 5.036 -5.791 -10.429 331 HA ASP 42 HA ASP 42 4.706 -6.623 -7.643 332 HB2 ASP 42 2HB ASP 42 6.847 -7.700 -8.450 333 HB3 ASP 42 3HB ASP 42 7.497 -6.104 -8.805 334 H LEU 43 H LEU 43 4.678 -4.872 -6.251 335 HA LEU 43 HA LEU 43 5.193 -2.158 -7.307 336 HB2 LEU 43 2HB LEU 43 2.852 -2.518 -7.729 337 HB3 LEU 43 3HB LEU 43 2.606 -3.273 -6.162 338 HG LEU 43 HG LEU 43 2.986 -1.047 -5.062 339 HD11 LEU 43 1HD1 LEU 43 4.355 0.065 -6.745 340 HD12 LEU 43 2HD1 LEU 43 2.922 1.020 -6.371 341 HD13 LEU 43 3HD1 LEU 43 2.993 0.089 -7.866 342 HD21 LEU 43 3HD2 LEU 43 0.735 -1.894 -5.518 343 HD22 LEU 43 1HD2 LEU 43 0.745 -1.102 -7.097 344 HD23 LEU 43 2HD2 LEU 43 0.796 -0.136 -5.620 345 H GLU 44 H GLU 44 6.812 -1.568 -5.945 346 HA GLU 44 HA GLU 44 6.703 -1.945 -3.043 347 HB2 GLU 44 2HB GLU 44 8.889 -2.027 -4.193 348 HB3 GLU 44 3HB GLU 44 8.626 -0.436 -4.896 349 HG2 GLU 44 2HG GLU 44 8.592 0.470 -2.487 350 HG3 GLU 44 3HG GLU 44 9.171 -1.114 -1.985 351 H ILE 45 H ILE 45 5.674 -0.467 -1.718 352 HA ILE 45 HA ILE 45 5.289 2.350 -2.680 353 HB ILE 45 HB ILE 45 3.475 0.762 -0.779 354 HG12 ILE 45 2HG1 ILE 45 2.908 1.665 -3.650 355 HG13 ILE 45 3HG1 ILE 45 3.341 0.026 -3.181 356 HG21 ILE 45 1HG2 ILE 45 3.104 3.586 -1.861 357 HG22 ILE 45 2HG2 ILE 45 3.484 3.149 -0.195 358 HG23 ILE 45 3HG2 ILE 45 1.930 2.692 -0.889 359 HD11 ILE 45 3HD1 ILE 45 1.289 -0.134 -1.855 360 HD12 ILE 45 1HD1 ILE 45 0.981 0.204 -3.557 361 HD13 ILE 45 2HD1 ILE 45 0.842 1.497 -2.369 362 H ARG 46 H ARG 46 6.245 3.883 -1.417 363 HA ARG 46 HA ARG 46 7.099 3.199 1.341 364 HB2 ARG 46 2HB ARG 46 8.506 5.079 -0.614 365 HB3 ARG 46 3HB ARG 46 9.041 4.668 1.017 366 HG2 ARG 46 2HG ARG 46 9.282 2.269 0.262 367 HG3 ARG 46 3HG ARG 46 8.912 2.806 -1.380 368 HD2 ARG 46 2HD ARG 46 11.313 2.629 -1.138 369 HD3 ARG 46 3HD ARG 46 10.887 4.340 -1.276 370 HE ARG 46 HE ARG 46 11.186 3.207 1.417 371 HH11 ARG 46 1HH1 ARG 46 12.589 5.257 -1.106 372 HH12 ARG 46 2HH1 ARG 46 13.733 5.990 -0.021 373 HH21 ARG 46 1HH2 ARG 46 12.713 4.150 2.799 374 HH22 ARG 46 2HH2 ARG 46 13.805 5.362 2.191 375 H ILE 47 H ILE 47 5.669 4.172 2.601 376 HA ILE 47 HA ILE 47 4.605 6.850 1.955 377 HB ILE 47 HB ILE 47 3.656 4.862 4.086 378 HG12 ILE 47 2HG1 ILE 47 2.455 5.541 1.347 379 HG13 ILE 47 3HG1 ILE 47 3.249 4.031 1.774 380 HG21 ILE 47 1HG2 ILE 47 1.673 6.355 4.288 381 HG22 ILE 47 2HG2 ILE 47 2.415 7.490 3.154 382 HG23 ILE 47 3HG2 ILE 47 3.167 7.192 4.724 383 HD11 ILE 47 3HD1 ILE 47 0.866 3.751 1.732 384 HD12 ILE 47 1HD1 ILE 47 0.646 5.054 2.900 385 HD13 ILE 47 2HD1 ILE 47 1.453 3.558 3.382 386 H THR 48 H THR 48 5.456 8.551 2.944 387 HA THR 48 HA THR 48 7.089 8.279 5.395 388 HB THR 48 HB THR 48 7.332 10.304 3.099 389 HG1 THR 48 HG1 THR 48 8.004 8.004 2.731 390 HG21 THR 48 3HG2 THR 48 9.235 9.821 5.428 391 HG22 THR 48 1HG2 THR 48 8.180 11.227 5.241 392 HG23 THR 48 2HG2 THR 48 9.486 10.945 4.090 393 H GLY 49 H GLY 49 6.995 10.338 6.778 394 HA2 GLY 49 2HA GLY 49 6.125 12.448 7.355 395 HA3 GLY 49 3HA GLY 49 4.814 12.246 6.202 396 H VAL 50 H VAL 50 3.662 9.943 6.886 397 HA VAL 50 HA VAL 50 2.085 10.584 9.123 398 HB VAL 50 HB VAL 50 1.001 8.401 8.786 399 HG11 VAL 50 1HG1 VAL 50 0.291 8.666 6.434 400 HG12 VAL 50 2HG1 VAL 50 1.664 9.735 6.127 401 HG13 VAL 50 3HG1 VAL 50 0.393 10.224 7.251 402 HG21 VAL 50 3HG2 VAL 50 1.794 6.776 7.100 403 HG22 VAL 50 1HG2 VAL 50 2.973 6.984 8.395 404 HG23 VAL 50 2HG2 VAL 50 3.244 7.750 6.830 405 HA PRO 51 HA PRO 51 4.639 8.875 12.491 406 HB2 PRO 51 2HB PRO 51 2.637 8.536 14.403 407 HB3 PRO 51 3HB PRO 51 3.413 10.087 14.042 408 HG2 PRO 51 2HG PRO 51 0.775 9.038 13.105 409 HG3 PRO 51 3HG PRO 51 1.217 10.680 13.624 410 HD2 PRO 51 2HD PRO 51 0.961 10.019 11.002 411 HD3 PRO 51 3HD PRO 51 2.132 11.234 11.560 412 H GLU 52 H GLU 52 4.776 6.884 13.879 413 HA GLU 52 HA GLU 52 4.594 4.598 12.263 414 HB2 GLU 52 2HB GLU 52 6.209 5.055 14.209 415 HB3 GLU 52 3HB GLU 52 4.918 4.552 15.289 416 HG2 GLU 52 2HG GLU 52 6.331 2.667 15.014 417 HG3 GLU 52 3HG GLU 52 4.894 2.323 14.050 418 H GLN 53 H GLN 53 2.557 5.712 14.925 419 HA GLN 53 HA GLN 53 0.837 3.582 15.328 420 HB2 GLN 53 2HB GLN 53 -0.819 5.276 16.118 421 HB3 GLN 53 3HB GLN 53 0.799 5.578 16.749 422 HG2 GLN 53 2HG GLN 53 1.147 7.379 15.152 423 HG3 GLN 53 3HG GLN 53 -0.381 7.021 14.354 424 HE21 GLN 53 1HE2 GLN 53 -2.332 7.657 15.364 425 HE22 GLN 53 2HE2 GLN 53 -2.358 8.829 16.633 426 H VAL 54 H VAL 54 0.744 6.034 12.790 427 HA VAL 54 HA VAL 54 -1.813 5.245 11.698 428 HB VAL 54 HB VAL 54 0.333 7.212 10.776 429 HG11 VAL 54 1HG1 VAL 54 -0.819 6.395 8.771 430 HG12 VAL 54 2HG1 VAL 54 -1.260 8.067 9.105 431 HG13 VAL 54 3HG1 VAL 54 -2.389 6.766 9.493 432 HG21 VAL 54 3HG2 VAL 54 -2.433 7.691 11.957 433 HG22 VAL 54 1HG2 VAL 54 -1.303 8.942 11.429 434 HG23 VAL 54 2HG2 VAL 54 -0.891 7.902 12.793 435 H ARG 55 H ARG 55 1.616 4.731 10.950 436 HA ARG 55 HA ARG 55 1.354 3.426 8.457 437 HB2 ARG 55 2HB ARG 55 3.457 2.932 10.615 438 HB3 ARG 55 3HB ARG 55 3.592 2.481 8.915 439 HG2 ARG 55 2HG ARG 55 3.551 4.851 8.266 440 HG3 ARG 55 3HG ARG 55 3.358 5.317 9.955 441 HD2 ARG 55 2HD ARG 55 5.636 3.906 10.208 442 HD3 ARG 55 3HD ARG 55 5.802 4.354 8.505 443 HE ARG 55 HE ARG 55 5.306 6.714 9.433 444 HH11 ARG 55 1HH1 ARG 55 7.287 4.276 11.010 445 HH12 ARG 55 2HH1 ARG 55 8.248 5.450 11.857 446 HH21 ARG 55 1HH2 ARG 55 6.427 8.218 10.696 447 HH22 ARG 55 2HH2 ARG 55 7.757 7.685 11.685 448 H LYS 56 H LYS 56 1.201 2.217 11.786 449 HA LYS 56 HA LYS 56 0.934 -0.528 11.287 450 HB2 LYS 56 2HB LYS 56 -0.205 1.166 13.554 451 HB3 LYS 56 3HB LYS 56 -0.107 -0.595 13.572 452 HG2 LYS 56 2HG LYS 56 2.331 -0.520 13.554 453 HG3 LYS 56 3HG LYS 56 2.313 1.228 13.327 454 HD2 LYS 56 2HD LYS 56 2.830 0.784 15.647 455 HD3 LYS 56 3HD LYS 56 1.202 1.462 15.576 456 HE2 LYS 56 2HE LYS 56 0.253 -0.799 15.805 457 HE3 LYS 56 3HE LYS 56 1.882 -1.481 15.832 458 HZ1 LYS 56 3HZ LYS 56 0.934 -1.247 18.055 459 HZ2 LYS 56 1HZ LYS 56 0.807 0.426 17.843 460 HZ3 LYS 56 2HZ LYS 56 2.328 -0.311 17.870 461 H GLU 57 H GLU 57 -1.400 2.095 11.050 462 HA GLU 57 HA GLU 57 -3.711 0.357 10.735 463 HB2 GLU 57 2HB GLU 57 -3.487 3.359 10.232 464 HB3 GLU 57 3HB GLU 57 -4.975 2.431 10.402 465 HG2 GLU 57 2HG GLU 57 -2.910 2.899 12.571 466 HG3 GLU 57 3HG GLU 57 -4.462 3.713 12.439 467 H LEU 58 H LEU 58 -1.470 2.145 8.676 468 HA LEU 58 HA LEU 58 -2.699 1.660 6.166 469 HB2 LEU 58 2HB LEU 58 0.045 2.478 7.087 470 HB3 LEU 58 3HB LEU 58 -0.047 1.783 5.484 471 HG LEU 58 HG LEU 58 -0.096 4.207 5.338 472 HD11 LEU 58 1HD1 LEU 58 -1.359 2.935 3.663 473 HD12 LEU 58 2HD1 LEU 58 -2.060 4.524 3.952 474 HD13 LEU 58 3HD1 LEU 58 -2.827 3.089 4.640 475 HD21 LEU 58 3HD2 LEU 58 -1.029 4.773 7.523 476 HD22 LEU 58 1HD2 LEU 58 -2.610 4.154 7.038 477 HD23 LEU 58 2HD2 LEU 58 -1.929 5.575 6.238 478 H ALA 59 H ALA 59 -0.815 -0.352 8.299 479 HA ALA 59 HA ALA 59 -0.294 -2.518 6.546 480 HB1 ALA 59 3HB ALA 59 0.080 -3.793 8.613 481 HB2 ALA 59 1HB ALA 59 -0.656 -2.495 9.560 482 HB3 ALA 59 2HB ALA 59 0.851 -2.210 8.691 483 H LYS 60 H LYS 60 -3.073 -1.740 8.651 484 HA LYS 60 HA LYS 60 -4.570 -4.122 8.104 485 HB2 LYS 60 2HB LYS 60 -5.396 -1.405 9.181 486 HB3 LYS 60 3HB LYS 60 -6.600 -2.632 8.832 487 HG2 LYS 60 2HG LYS 60 -6.153 -2.634 11.190 488 HG3 LYS 60 3HG LYS 60 -5.502 -4.133 10.517 489 HD2 LYS 60 2HD LYS 60 -3.248 -3.288 10.641 490 HD3 LYS 60 3HD LYS 60 -3.816 -1.661 11.023 491 HE2 LYS 60 2HE LYS 60 -4.136 -4.084 12.824 492 HE3 LYS 60 3HE LYS 60 -2.910 -2.831 13.002 493 HZ1 LYS 60 3HZ LYS 60 -4.691 -1.205 13.320 494 HZ2 LYS 60 1HZ LYS 60 -4.741 -2.429 14.488 495 HZ3 LYS 60 2HZ LYS 60 -5.847 -2.436 13.210 496 H GLU 61 H GLU 61 -4.297 -0.948 6.551 497 HA GLU 61 HA GLU 61 -6.382 -1.281 4.642 498 HB2 GLU 61 2HB GLU 61 -3.905 0.489 4.583 499 HB3 GLU 61 3HB GLU 61 -5.214 0.579 3.411 500 HG2 GLU 61 2HG GLU 61 -5.413 1.158 6.377 501 HG3 GLU 61 3HG GLU 61 -5.410 2.352 5.082 502 H ALA 62 H ALA 62 -2.883 -1.931 4.589 503 HA ALA 62 HA ALA 62 -2.507 -2.836 2.012 504 HB1 ALA 62 3HB ALA 62 -0.576 -4.074 2.902 505 HB2 ALA 62 1HB ALA 62 -1.212 -3.909 4.546 506 HB3 ALA 62 2HB ALA 62 -0.700 -2.481 3.646 507 H GLU 63 H GLU 63 -3.479 -4.750 4.859 508 HA GLU 63 HA GLU 63 -3.677 -7.290 3.650 509 HB2 GLU 63 2HB GLU 63 -5.150 -6.152 6.058 510 HB3 GLU 63 3HB GLU 63 -5.090 -7.865 5.649 511 HG2 GLU 63 2HG GLU 63 -2.690 -7.929 6.058 512 HG3 GLU 63 3HG GLU 63 -2.649 -6.182 6.307 513 H ARG 64 H ARG 64 -6.186 -4.768 4.183 514 HA ARG 64 HA ARG 64 -8.378 -6.454 3.437 515 HB2 ARG 64 2HB ARG 64 -9.796 -4.504 3.626 516 HB3 ARG 64 3HB ARG 64 -8.623 -4.456 4.937 517 HG2 ARG 64 2HG ARG 64 -7.277 -2.825 3.590 518 HG3 ARG 64 3HG ARG 64 -8.570 -2.808 2.394 519 HD2 ARG 64 2HD ARG 64 -8.908 -2.014 5.302 520 HD3 ARG 64 3HD ARG 64 -8.613 -0.885 3.981 521 HE ARG 64 HE ARG 64 -10.947 -2.613 3.733 522 HH11 ARG 64 1HH1 ARG 64 -9.710 0.568 4.626 523 HH12 ARG 64 2HH1 ARG 64 -11.267 1.335 4.498 524 HH21 ARG 64 1HH2 ARG 64 -12.966 -1.599 3.556 525 HH22 ARG 64 2HH2 ARG 64 -13.112 0.099 3.889 526 H LEU 65 H LEU 65 -6.315 -4.198 1.668 527 HA LEU 65 HA LEU 65 -7.829 -4.219 -0.787 528 HB2 LEU 65 2HB LEU 65 -4.915 -3.494 -0.248 529 HB3 LEU 65 3HB LEU 65 -5.775 -3.158 -1.743 530 HG LEU 65 HG LEU 65 -6.503 -1.989 0.971 531 HD11 LEU 65 1HD1 LEU 65 -5.038 -0.660 -1.329 532 HD12 LEU 65 2HD1 LEU 65 -4.349 -1.128 0.228 533 HD13 LEU 65 3HD1 LEU 65 -5.578 0.129 0.156 534 HD21 LEU 65 3HD2 LEU 65 -7.991 -0.478 -0.287 535 HD22 LEU 65 1HD2 LEU 65 -8.463 -2.169 -0.457 536 HD23 LEU 65 2HD2 LEU 65 -7.622 -1.352 -1.777 537 H ALA 66 H ALA 66 -5.081 -6.015 0.520 538 HA ALA 66 HA ALA 66 -4.280 -7.439 -1.751 539 HB1 ALA 66 3HB ALA 66 -2.959 -7.296 0.323 540 HB2 ALA 66 1HB ALA 66 -3.174 -8.969 -0.191 541 HB3 ALA 66 2HB ALA 66 -4.132 -8.325 1.146 542 H LYS 67 H LYS 67 -6.584 -8.390 0.808 543 HA LYS 67 HA LYS 67 -7.171 -10.958 -0.350 544 HB2 LYS 67 2HB LYS 67 -8.814 -11.197 1.442 545 HB3 LYS 67 3HB LYS 67 -7.309 -10.555 2.085 546 HG2 LYS 67 2HG LYS 67 -8.348 -8.253 2.026 547 HG3 LYS 67 3HG LYS 67 -9.876 -9.015 1.577 548 HD2 LYS 67 2HD LYS 67 -8.321 -9.479 4.158 549 HD3 LYS 67 3HD LYS 67 -9.812 -8.551 3.992 550 HE2 LYS 67 2HE LYS 67 -11.033 -10.597 3.355 551 HE3 LYS 67 3HE LYS 67 -9.538 -11.534 3.459 552 HZ1 LYS 67 3HZ LYS 67 -10.863 -10.117 5.714 553 HZ2 LYS 67 1HZ LYS 67 -9.414 -10.982 5.823 554 HZ3 LYS 67 2HZ LYS 67 -10.855 -11.787 5.459 555 H GLU 68 H GLU 68 -8.460 -7.758 -0.764 556 HA GLU 68 HA GLU 68 -11.069 -8.486 -1.746 557 HB2 GLU 68 2HB GLU 68 -10.571 -6.301 -0.631 558 HB3 GLU 68 3HB GLU 68 -9.550 -5.845 -1.986 559 HG2 GLU 68 2HG GLU 68 -11.733 -4.753 -2.125 560 HG3 GLU 68 3HG GLU 68 -11.505 -5.852 -3.482 561 H PHE 69 H PHE 69 -8.060 -7.283 -3.226 562 HA PHE 69 HA PHE 69 -9.097 -7.585 -5.942 563 HB2 PHE 69 2HB PHE 69 -6.385 -6.562 -4.960 564 HB3 PHE 69 3HB PHE 69 -6.981 -6.476 -6.614 565 HD1 PHE 69 HD1 PHE 69 -9.542 -5.379 -6.658 566 HD2 PHE 69 HD2 PHE 69 -6.438 -4.492 -3.858 567 HE1 PHE 69 HE1 PHE 69 -10.575 -3.201 -6.186 568 HE2 PHE 69 HE2 PHE 69 -7.488 -2.314 -3.387 569 HZ PHE 69 HZ PHE 69 -9.556 -1.669 -4.550 570 H ASN 70 H ASN 70 -7.854 -9.731 -3.826 571 HA ASN 70 HA ASN 70 -6.783 -11.704 -3.845 572 HB2 ASN 70 2HB ASN 70 -8.608 -12.280 -5.427 573 HB3 ASN 70 3HB ASN 70 -7.626 -11.749 -6.789 574 HD21 ASN 70 1HD2 ASN 70 -7.608 -13.739 -7.811 575 HD22 ASN 70 2HD2 ASN 70 -6.806 -15.138 -7.190 576 H ILE 71 H ILE 71 -4.975 -10.081 -3.600 577 HA ILE 71 HA ILE 71 -2.701 -10.991 -5.209 578 HB ILE 71 HB ILE 71 -1.664 -8.679 -5.074 579 HG12 ILE 71 2HG1 ILE 71 -4.460 -7.842 -4.166 580 HG13 ILE 71 3HG1 ILE 71 -2.962 -7.681 -3.258 581 HG21 ILE 71 1HG2 ILE 71 -2.705 -9.452 -7.177 582 HG22 ILE 71 2HG2 ILE 71 -2.838 -7.705 -6.983 583 HG23 ILE 71 3HG2 ILE 71 -4.240 -8.736 -6.681 584 HD11 ILE 71 3HD1 ILE 71 -2.169 -6.036 -4.936 585 HD12 ILE 71 1HD1 ILE 71 -3.638 -5.539 -4.096 586 HD13 ILE 71 2HD1 ILE 71 -3.735 -6.153 -5.745 587 H THR 72 H THR 72 -0.685 -10.897 -3.994 588 HA THR 72 HA THR 72 -1.025 -11.248 -1.105 589 HB THR 72 HB THR 72 1.515 -11.828 -1.263 590 HG1 THR 72 HG1 THR 72 1.937 -10.880 -3.272 591 HG21 THR 72 3HG2 THR 72 -0.225 -13.597 -1.087 592 HG22 THR 72 1HG2 THR 72 1.097 -14.098 -2.146 593 HG23 THR 72 2HG2 THR 72 -0.434 -13.564 -2.840 594 H VAL 73 H VAL 73 0.178 -10.025 0.467 595 HA VAL 73 HA VAL 73 1.645 -7.653 -0.475 596 HB VAL 73 HB VAL 73 -0.761 -7.011 0.142 597 HG11 VAL 73 1HG1 VAL 73 -1.105 -8.459 2.076 598 HG12 VAL 73 2HG1 VAL 73 -1.359 -6.770 2.517 599 HG13 VAL 73 3HG1 VAL 73 0.135 -7.590 2.984 600 HG21 VAL 73 3HG2 VAL 73 -0.098 -4.941 1.306 601 HG22 VAL 73 1HG2 VAL 73 1.034 -5.347 0.015 602 HG23 VAL 73 2HG2 VAL 73 1.472 -5.650 1.699 603 H THR 74 H THR 74 3.175 -6.894 0.946 604 HA THR 74 HA THR 74 3.588 -8.129 3.568 605 HB THR 74 HB THR 74 5.131 -9.381 2.158 606 HG1 THR 74 HG1 THR 74 6.756 -7.388 3.359 607 HG21 THR 74 3HG2 THR 74 6.868 -8.333 0.776 608 HG22 THR 74 1HG2 THR 74 6.234 -6.732 1.168 609 HG23 THR 74 2HG2 THR 74 5.262 -7.857 0.219 610 H TYR 75 H TYR 75 4.473 -6.659 5.042 611 HA TYR 75 HA TYR 75 5.172 -3.953 4.150 612 HB2 TYR 75 2HB TYR 75 3.632 -2.962 5.914 613 HB3 TYR 75 3HB TYR 75 2.801 -3.683 4.543 614 HD1 TYR 75 HD1 TYR 75 3.645 -4.191 8.154 615 HD2 TYR 75 HD2 TYR 75 1.273 -5.545 4.858 616 HE1 TYR 75 HE1 TYR 75 2.316 -5.583 9.677 617 HE2 TYR 75 HE2 TYR 75 -0.056 -6.937 6.391 618 HH TYR 75 HH TYR 75 0.213 -8.008 8.616 619 H THR 76 H THR 76 6.529 -2.848 5.578 620 HA THR 76 HA THR 76 7.523 -4.357 7.931 621 HB THR 76 HB THR 76 9.284 -2.732 6.030 622 HG1 THR 76 HG1 THR 76 8.601 -5.495 6.082 623 HG21 THR 76 3HG2 THR 76 10.224 -2.982 8.309 624 HG22 THR 76 1HG2 THR 76 11.139 -3.948 7.149 625 HG23 THR 76 2HG2 THR 76 9.981 -4.729 8.229 626 H ILE 77 H ILE 77 7.401 -3.262 9.745 627 HA ILE 77 HA ILE 77 7.715 -0.349 9.897 628 HB ILE 77 HB ILE 77 5.775 -0.298 11.630 629 HG12 ILE 77 2HG1 ILE 77 5.031 -2.879 10.176 630 HG13 ILE 77 3HG1 ILE 77 5.412 -2.718 11.887 631 HG21 ILE 77 1HG2 ILE 77 4.068 0.170 9.940 632 HG22 ILE 77 2HG2 ILE 77 5.042 -0.642 8.712 633 HG23 ILE 77 3HG2 ILE 77 5.633 0.840 9.469 634 HD11 ILE 77 3HD1 ILE 77 3.034 -2.979 11.540 635 HD12 ILE 77 1HD1 ILE 77 2.995 -1.564 10.487 636 HD13 ILE 77 2HD1 ILE 77 3.376 -1.382 12.203 637 H ARG 78 H ARG 78 8.207 0.393 12.025 638 HA ARG 78 HA ARG 78 9.424 -1.603 13.853 639 HB2 ARG 78 2HB ARG 78 10.692 1.062 13.070 640 HB3 ARG 78 3HB ARG 78 11.399 -0.186 14.075 641 HG2 ARG 78 2HG ARG 78 12.521 -0.871 12.233 642 HG3 ARG 78 3HG ARG 78 10.991 -1.505 11.635 643 HD2 ARG 78 2HD ARG 78 12.039 1.294 11.092 644 HD3 ARG 78 3HD ARG 78 12.201 -0.068 9.988 645 HE ARG 78 HE ARG 78 9.828 -0.071 9.682 646 HH11 ARG 78 1HH1 ARG 78 11.030 2.801 11.331 647 HH12 ARG 78 2HH1 ARG 78 9.631 3.749 10.943 648 HH21 ARG 78 1HH2 ARG 78 7.981 1.179 9.226 649 HH22 ARG 78 2HH2 ARG 78 7.911 2.827 9.753 650 H GLY 79 H GLY 79 10.376 0.877 15.465 651 HA2 GLY 79 2HA GLY 79 9.047 2.980 16.000 652 HA3 GLY 79 3HA GLY 79 7.753 1.876 16.442 653 H SER 80 H SER 80 8.241 0.282 18.120 654 HA SER 80 HA SER 80 9.494 1.346 20.439 655 HB2 SER 80 2HB SER 80 8.639 -1.511 19.793 656 HB3 SER 80 3HB SER 80 9.039 -0.910 21.403 657 HG SER 80 HG SER 80 7.120 0.559 20.040 658 H LEU 81 H LEU 81 10.526 -0.813 17.874 659 HA LEU 81 HA LEU 81 13.028 -1.673 18.878 660 HB2 LEU 81 2HB LEU 81 12.203 -1.186 15.986 661 HB3 LEU 81 3HB LEU 81 13.570 -2.160 16.510 662 HG LEU 81 HG LEU 81 10.631 -2.802 16.984 663 HD11 LEU 81 1HD1 LEU 81 11.288 -3.118 14.649 664 HD12 LEU 81 2HD1 LEU 81 11.012 -4.676 15.425 665 HD13 LEU 81 3HD1 LEU 81 12.662 -4.115 15.141 666 HD21 LEU 81 3HD2 LEU 81 11.954 -3.606 18.870 667 HD22 LEU 81 1HD2 LEU 81 13.099 -4.391 17.778 668 HD23 LEU 81 2HD2 LEU 81 11.435 -4.969 17.883 669 H GLU 82 H GLU 82 11.986 1.306 17.357 670 HA GLU 82 HA GLU 82 14.710 2.290 16.912 671 HB2 GLU 82 2HB GLU 82 12.079 3.690 16.308 672 HB3 GLU 82 3HB GLU 82 13.681 4.126 15.714 673 HG2 GLU 82 2HG GLU 82 13.776 1.998 14.456 674 HG3 GLU 82 3HG GLU 82 12.158 1.602 15.037 675 H HIS 83 H HIS 83 15.217 2.345 19.153 676 HA HIS 83 HA HIS 83 14.639 4.946 20.379 677 HB2 HIS 83 2HB HIS 83 14.032 2.271 21.700 678 HB3 HIS 83 3HB HIS 83 14.571 3.609 22.703 679 HD1 HIS 83 HD1 HIS 83 12.937 5.580 23.045 680 HD2 HIS 83 HD2 HIS 83 11.382 2.514 20.712 681 HE1 HIS 83 HE1 HIS 83 10.468 6.010 22.921 682 HE2 HIS 83 HE2 HIS 83 9.549 4.158 21.487 683 H HIS 84 H HIS 84 16.671 2.144 19.910 684 HA HIS 84 HA HIS 84 18.645 1.383 20.723 685 HB2 HIS 84 2HB HIS 84 19.424 3.273 19.237 686 HB3 HIS 84 3HB HIS 84 19.439 4.345 20.628 687 HD1 HIS 84 HD1 HIS 84 21.310 1.426 19.134 688 HD2 HIS 84 HD2 HIS 84 21.731 4.139 22.251 689 HE1 HIS 84 HE1 HIS 84 23.647 1.124 19.988 690 HE2 HIS 84 HE2 HIS 84 23.848 2.705 21.920 691 H HIS 85 H HIS 85 17.048 1.155 22.656 692 HA HIS 85 HA HIS 85 17.353 2.959 24.837 693 HB2 HIS 85 2HB HIS 85 15.873 1.449 26.106 694 HB3 HIS 85 3HB HIS 85 15.213 1.884 24.540 695 HD1 HIS 85 HD1 HIS 85 14.675 -0.029 22.941 696 HD2 HIS 85 HD2 HIS 85 16.533 -1.327 26.417 697 HE1 HIS 85 HE1 HIS 85 14.425 -2.521 22.948 698 HE2 HIS 85 HE2 HIS 85 15.351 -3.235 25.166 699 H HIS 86 H HIS 86 19.464 3.062 25.390 700 HA HIS 86 HA HIS 86 20.998 0.919 26.452 701 HB2 HIS 86 2HB HIS 86 22.224 2.800 27.700 702 HB3 HIS 86 3HB HIS 86 22.189 2.936 25.946 703 HD1 HIS 86 HD1 HIS 86 21.345 5.102 25.010 704 HD2 HIS 86 HD2 HIS 86 20.315 4.643 29.011 705 HE1 HIS 86 HE1 HIS 86 20.346 7.296 25.711 706 HE2 HIS 86 HE2 HIS 86 19.739 6.993 28.126 707 H HIS 87 H HIS 87 21.026 0.029 28.489 708 HA HIS 87 HA HIS 87 18.577 0.097 29.960 709 HB2 HIS 87 2HB HIS 87 21.204 -1.369 30.394 710 HB3 HIS 87 3HB HIS 87 19.851 -1.520 31.513 711 HD1 HIS 87 HD1 HIS 87 21.169 -2.937 28.422 712 HD2 HIS 87 HD2 HIS 87 17.430 -2.624 30.211 713 HE1 HIS 87 HE1 HIS 87 19.726 -4.631 27.267 714 HE2 HIS 87 HE2 HIS 87 17.450 -4.347 28.286 715 H HIS 88 H HIS 88 18.381 2.221 30.629 716 HA HIS 88 HA HIS 88 19.587 2.881 33.197 717 HB2 HIS 88 2HB HIS 88 21.124 4.057 31.675 718 HB3 HIS 88 3HB HIS 88 19.782 4.754 30.776 719 HD1 HIS 88 HD1 HIS 88 21.745 5.169 33.942 720 HD2 HIS 88 HD2 HIS 88 18.558 7.007 32.006 721 HE1 HIS 88 HE1 HIS 88 21.389 7.349 35.133 722 HE2 HIS 88 HE2 HIS 88 19.316 8.315 34.100 Start of MODEL 4 1 H1 MET 1 1H MET 1 11.499 1.958 11.821 2 H2 MET 1 2H MET 1 10.112 1.957 10.857 3 H3 MET 1 3H MET 1 9.992 1.629 12.506 4 HA MET 1 HA MET 1 9.235 3.858 12.006 5 HB2 MET 1 2HB MET 1 10.382 3.250 14.199 6 HB3 MET 1 3HB MET 1 11.872 3.905 13.545 7 HG2 MET 1 2HG MET 1 10.815 6.129 13.392 8 HG3 MET 1 3HG MET 1 9.321 5.453 14.043 9 HE1 MET 1 3HE MET 1 10.847 7.719 16.951 10 HE2 MET 1 1HE MET 1 9.403 7.442 15.977 11 HE3 MET 1 2HE MET 1 10.889 8.004 15.212 12 H GLY 2 H GLY 2 10.016 6.137 11.503 13 HA2 GLY 2 2HA GLY 2 11.314 7.628 10.218 14 HA3 GLY 2 3HA GLY 2 12.153 6.274 9.469 15 H GLU 3 H GLU 3 10.232 4.686 8.561 16 HA GLU 3 HA GLU 3 7.916 5.969 7.482 17 HB2 GLU 3 2HB GLU 3 8.400 5.557 5.086 18 HB3 GLU 3 3HB GLU 3 9.478 6.759 5.784 19 HG2 GLU 3 2HG GLU 3 11.271 5.071 5.928 20 HG3 GLU 3 3HG GLU 3 10.188 3.866 5.237 21 H MET 4 H MET 4 6.751 4.371 5.978 22 HA MET 4 HA MET 4 7.121 1.580 6.896 23 HB2 MET 4 2HB MET 4 4.946 2.590 7.596 24 HB3 MET 4 3HB MET 4 4.577 2.977 5.922 25 HG2 MET 4 2HG MET 4 4.426 0.634 5.361 26 HG3 MET 4 3HG MET 4 4.970 0.170 6.977 27 HE1 MET 4 3HE MET 4 1.310 -0.948 7.335 28 HE2 MET 4 1HE MET 4 3.003 -1.347 7.614 29 HE3 MET 4 2HE MET 4 2.390 -1.195 5.965 30 H ASP 5 H ASP 5 7.167 -0.042 5.283 31 HA ASP 5 HA ASP 5 7.111 0.820 2.469 32 HB2 ASP 5 2HB ASP 5 9.366 0.104 3.182 33 HB3 ASP 5 3HB ASP 5 8.720 -1.367 3.893 34 H ILE 6 H ILE 6 5.414 -0.090 1.420 35 HA ILE 6 HA ILE 6 4.212 -2.622 2.377 36 HB ILE 6 HB ILE 6 2.695 -0.330 1.008 37 HG12 ILE 6 2HG1 ILE 6 2.599 -1.113 3.963 38 HG13 ILE 6 3HG1 ILE 6 3.400 0.320 3.327 39 HG21 ILE 6 1HG2 ILE 6 0.672 -1.621 1.594 40 HG22 ILE 6 2HG2 ILE 6 1.673 -2.888 2.303 41 HG23 ILE 6 3HG2 ILE 6 1.756 -2.565 0.569 42 HD11 ILE 6 3HD1 ILE 6 0.442 -0.252 3.228 43 HD12 ILE 6 1HD1 ILE 6 1.238 1.172 2.548 44 HD13 ILE 6 2HD1 ILE 6 1.269 0.888 4.288 45 H ARG 7 H ARG 7 4.246 -4.170 0.819 46 HA ARG 7 HA ARG 7 4.571 -3.374 -2.012 47 HB2 ARG 7 2HB ARG 7 6.763 -4.152 -0.901 48 HB3 ARG 7 3HB ARG 7 6.047 -5.756 -0.793 49 HG2 ARG 7 2HG ARG 7 5.917 -5.941 -3.200 50 HG3 ARG 7 3HG ARG 7 6.354 -4.247 -3.410 51 HD2 ARG 7 2HD ARG 7 8.585 -5.022 -2.149 52 HD3 ARG 7 3HD ARG 7 8.100 -6.604 -2.760 53 HE ARG 7 HE ARG 7 8.040 -5.518 -5.029 54 HH11 ARG 7 1HH1 ARG 7 10.197 -4.254 -2.532 55 HH12 ARG 7 2HH1 ARG 7 11.310 -3.568 -3.673 56 HH21 ARG 7 1HH2 ARG 7 9.474 -4.544 -6.500 57 HH22 ARG 7 2HH2 ARG 7 10.902 -3.736 -5.920 58 H PHE 8 H PHE 8 3.306 -4.385 -3.380 59 HA PHE 8 HA PHE 8 1.627 -6.676 -2.526 60 HB2 PHE 8 2HB PHE 8 0.921 -4.356 -4.388 61 HB3 PHE 8 3HB PHE 8 -0.075 -5.790 -4.172 62 HD1 PHE 8 HD2 PHE 8 -1.043 -6.269 -1.863 63 HD2 PHE 8 HD1 PHE 8 0.697 -2.501 -2.888 64 HE1 PHE 8 HE2 PHE 8 -2.250 -5.202 -0.010 65 HE2 PHE 8 HE1 PHE 8 -0.511 -1.444 -1.023 66 HZ PHE 8 HZ PHE 8 -1.989 -2.797 0.414 67 H ARG 9 H ARG 9 1.756 -8.450 -3.889 68 HA ARG 9 HA ARG 9 2.960 -8.047 -6.577 69 HB2 ARG 9 2HB ARG 9 4.453 -9.344 -5.001 70 HB3 ARG 9 3HB ARG 9 3.191 -10.552 -4.846 71 HG2 ARG 9 2HG ARG 9 3.427 -11.305 -7.067 72 HG3 ARG 9 3HG ARG 9 4.273 -9.844 -7.579 73 HD2 ARG 9 2HD ARG 9 5.399 -11.966 -5.719 74 HD3 ARG 9 3HD ARG 9 5.789 -11.778 -7.434 75 HE ARG 9 HE ARG 9 6.238 -9.345 -6.051 76 HH11 ARG 9 1HH1 ARG 9 7.757 -12.511 -6.466 77 HH12 ARG 9 2HH1 ARG 9 9.338 -11.894 -6.114 78 HH21 ARG 9 1HH2 ARG 9 8.272 -8.599 -5.586 79 HH22 ARG 9 2HH2 ARG 9 9.635 -9.679 -5.619 80 H GLY 10 H GLY 10 1.806 -8.869 -8.287 81 HA2 GLY 10 2HA GLY 10 -0.446 -10.653 -7.883 82 HA3 GLY 10 3HA GLY 10 -0.896 -8.988 -8.229 83 H ASP 11 H ASP 11 -0.863 -11.757 -9.630 84 HA ASP 11 HA ASP 11 0.519 -11.518 -12.080 85 HB2 ASP 11 2HB ASP 11 -0.405 -13.639 -11.123 86 HB3 ASP 11 3HB ASP 11 -2.034 -13.059 -11.440 87 H ASP 12 H ASP 12 -2.424 -10.113 -10.897 88 HA ASP 12 HA ASP 12 -3.140 -8.969 -13.524 89 HB2 ASP 12 2HB ASP 12 -5.021 -9.979 -12.316 90 HB3 ASP 12 3HB ASP 12 -4.667 -9.017 -10.888 91 H LEU 13 H LEU 13 -1.937 -7.228 -13.903 92 HA LEU 13 HA LEU 13 -0.754 -5.450 -12.124 93 HB2 LEU 13 2HB LEU 13 -0.094 -5.611 -14.472 94 HB3 LEU 13 3HB LEU 13 -1.659 -5.009 -14.989 95 HG LEU 13 HG LEU 13 -1.127 -2.790 -13.964 96 HD11 LEU 13 1HD1 LEU 13 0.436 -3.474 -12.209 97 HD12 LEU 13 2HD1 LEU 13 1.157 -2.252 -13.253 98 HD13 LEU 13 3HD1 LEU 13 1.628 -3.943 -13.427 99 HD21 LEU 13 3HD2 LEU 13 -0.713 -3.165 -16.344 100 HD22 LEU 13 1HD2 LEU 13 0.911 -3.765 -15.990 101 HD23 LEU 13 2HD2 LEU 13 0.498 -2.081 -15.668 102 H GLU 14 H GLU 14 -4.076 -5.487 -13.328 103 HA GLU 14 HA GLU 14 -4.769 -2.780 -12.718 104 HB2 GLU 14 2HB GLU 14 -6.426 -5.292 -13.107 105 HB3 GLU 14 3HB GLU 14 -7.190 -3.805 -12.541 106 HG2 GLU 14 2HG GLU 14 -6.441 -2.627 -14.533 107 HG3 GLU 14 3HG GLU 14 -5.626 -4.081 -15.117 108 H ALA 15 H ALA 15 -4.743 -5.761 -10.860 109 HA ALA 15 HA ALA 15 -6.142 -4.935 -8.559 110 HB1 ALA 15 3HB ALA 15 -5.022 -6.897 -7.532 111 HB2 ALA 15 1HB ALA 15 -3.943 -7.006 -8.928 112 HB3 ALA 15 2HB ALA 15 -5.674 -7.282 -9.124 113 H LEU 16 H LEU 16 -2.767 -4.758 -9.533 114 HA LEU 16 HA LEU 16 -1.673 -3.722 -7.119 115 HB2 LEU 16 2HB LEU 16 -0.634 -3.466 -9.971 116 HB3 LEU 16 3HB LEU 16 0.304 -3.187 -8.513 117 HG LEU 16 HG LEU 16 -0.824 -5.866 -9.417 118 HD11 LEU 16 1HD1 LEU 16 1.057 -5.097 -10.790 119 HD12 LEU 16 2HD1 LEU 16 1.506 -6.496 -9.818 120 HD13 LEU 16 3HD1 LEU 16 2.045 -4.883 -9.341 121 HD21 LEU 16 3HD2 LEU 16 0.896 -5.246 -6.991 122 HD22 LEU 16 1HD2 LEU 16 0.448 -6.858 -7.557 123 HD23 LEU 16 2HD2 LEU 16 -0.794 -5.757 -6.969 124 H GLU 17 H GLU 17 -2.625 -2.174 -10.206 125 HA GLU 17 HA GLU 17 -2.054 0.493 -9.584 126 HB2 GLU 17 2HB GLU 17 -4.152 -0.637 -11.485 127 HB3 GLU 17 3HB GLU 17 -3.614 1.040 -11.478 128 HG2 GLU 17 2HG GLU 17 -1.761 -1.298 -11.963 129 HG3 GLU 17 3HG GLU 17 -2.597 -0.463 -13.255 130 H LYS 18 H LYS 18 -4.924 -1.409 -8.898 131 HA LYS 18 HA LYS 18 -6.605 0.788 -8.068 132 HB2 LYS 18 2HB LYS 18 -6.863 -2.243 -7.921 133 HB3 LYS 18 3HB LYS 18 -8.092 -1.170 -7.261 134 HG2 LYS 18 2HG LYS 18 -8.683 -0.334 -9.411 135 HG3 LYS 18 3HG LYS 18 -7.232 -0.997 -10.164 136 HD2 LYS 18 2HD LYS 18 -8.066 -3.256 -9.957 137 HD3 LYS 18 3HD LYS 18 -9.406 -2.735 -8.950 138 HE2 LYS 18 2HE LYS 18 -10.143 -3.256 -11.229 139 HE3 LYS 18 3HE LYS 18 -10.420 -1.561 -10.842 140 HZ1 LYS 18 3HZ LYS 18 -9.524 -1.957 -13.087 141 HZ2 LYS 18 1HZ LYS 18 -8.102 -2.553 -12.403 142 HZ3 LYS 18 2HZ LYS 18 -8.545 -0.942 -12.157 143 H ALA 19 H ALA 19 -4.725 -1.777 -6.387 144 HA ALA 19 HA ALA 19 -5.364 -1.009 -3.723 145 HB1 ALA 19 3HB ALA 19 -4.413 -3.212 -4.285 146 HB2 ALA 19 1HB ALA 19 -3.432 -2.395 -3.069 147 HB3 ALA 19 2HB ALA 19 -2.891 -2.450 -4.750 148 H LEU 20 H LEU 20 -2.615 -0.225 -5.820 149 HA LEU 20 HA LEU 20 -1.091 1.466 -4.235 150 HB2 LEU 20 2HB LEU 20 -0.361 0.628 -6.409 151 HB3 LEU 20 3HB LEU 20 -1.609 1.518 -7.239 152 HG LEU 20 HG LEU 20 0.859 2.358 -7.346 153 HD11 LEU 20 1HD1 LEU 20 -1.308 4.370 -6.758 154 HD12 LEU 20 2HD1 LEU 20 -0.975 3.614 -8.315 155 HD13 LEU 20 3HD1 LEU 20 0.219 4.687 -7.592 156 HD21 LEU 20 3HD2 LEU 20 0.128 3.527 -4.647 157 HD22 LEU 20 1HD2 LEU 20 1.557 3.935 -5.599 158 HD23 LEU 20 2HD2 LEU 20 1.367 2.308 -4.954 159 H LYS 21 H LYS 21 -3.779 2.294 -6.414 160 HA LYS 21 HA LYS 21 -3.777 5.058 -6.092 161 HB2 LYS 21 2HB LYS 21 -4.995 3.895 -7.863 162 HB3 LYS 21 3HB LYS 21 -6.067 3.137 -6.707 163 HG2 LYS 21 2HG LYS 21 -6.042 6.138 -6.863 164 HG3 LYS 21 3HG LYS 21 -6.809 5.247 -8.171 165 HD2 LYS 21 2HD LYS 21 -7.554 5.052 -5.228 166 HD3 LYS 21 3HD LYS 21 -8.436 5.963 -6.452 167 HE2 LYS 21 2HE LYS 21 -8.071 2.952 -6.377 168 HE3 LYS 21 3HE LYS 21 -9.551 3.837 -6.027 169 HZ1 LYS 21 3HZ LYS 21 -9.627 2.949 -8.228 170 HZ2 LYS 21 1HZ LYS 21 -8.175 3.697 -8.647 171 HZ3 LYS 21 2HZ LYS 21 -9.544 4.629 -8.325 172 H GLU 22 H GLU 22 -5.314 2.539 -4.141 173 HA GLU 22 HA GLU 22 -6.701 4.320 -2.366 174 HB2 GLU 22 2HB GLU 22 -6.028 1.362 -2.133 175 HB3 GLU 22 3HB GLU 22 -7.020 2.230 -0.969 176 HG2 GLU 22 2HG GLU 22 -7.669 1.813 -3.896 177 HG3 GLU 22 3HG GLU 22 -8.375 0.937 -2.542 178 H MET 23 H MET 23 -3.546 2.569 -2.181 179 HA MET 23 HA MET 23 -2.918 3.285 0.478 180 HB2 MET 23 2HB MET 23 -1.085 2.603 -1.853 181 HB3 MET 23 3HB MET 23 -0.540 2.751 -0.189 182 HG2 MET 23 2HG MET 23 -2.742 0.809 -0.767 183 HG3 MET 23 3HG MET 23 -1.115 0.398 -1.281 184 HE1 MET 23 3HE MET 23 -2.487 0.773 3.119 185 HE2 MET 23 1HE MET 23 -3.580 0.693 1.737 186 HE3 MET 23 2HE MET 23 -2.615 2.144 2.018 187 H ILE 24 H ILE 24 -2.348 4.963 -2.597 188 HA ILE 24 HA ILE 24 -0.877 7.186 -1.648 189 HB ILE 24 HB ILE 24 -2.774 6.913 -4.034 190 HG12 ILE 24 2HG1 ILE 24 0.272 6.904 -3.806 191 HG13 ILE 24 3HG1 ILE 24 -0.759 5.577 -4.324 192 HG21 ILE 24 1HG2 ILE 24 -1.908 9.060 -4.905 193 HG22 ILE 24 2HG2 ILE 24 -0.996 9.298 -3.414 194 HG23 ILE 24 3HG2 ILE 24 -2.758 9.280 -3.374 195 HD11 ILE 24 3HD1 ILE 24 -1.358 6.881 -6.334 196 HD12 ILE 24 1HD1 ILE 24 0.364 6.523 -6.213 197 HD13 ILE 24 2HD1 ILE 24 -0.228 8.135 -5.819 198 H ARG 25 H ARG 25 -4.334 6.645 -2.107 199 HA ARG 25 HA ARG 25 -5.428 9.078 -1.328 200 HB2 ARG 25 2HB ARG 25 -6.578 7.191 -2.475 201 HB3 ARG 25 3HB ARG 25 -6.542 6.269 -0.980 202 HG2 ARG 25 2HG ARG 25 -8.069 7.941 0.058 203 HG3 ARG 25 3HG ARG 25 -8.119 8.816 -1.479 204 HD2 ARG 25 2HD ARG 25 -8.994 6.761 -2.588 205 HD3 ARG 25 3HD ARG 25 -9.013 5.951 -1.020 206 HE ARG 25 HE ARG 25 -10.548 8.311 -0.861 207 HH11 ARG 25 1HH1 ARG 25 -10.667 5.092 -2.326 208 HH12 ARG 25 2HH1 ARG 25 -12.404 5.050 -2.359 209 HH21 ARG 25 1HH2 ARG 25 -12.827 8.241 -0.948 210 HH22 ARG 25 2HH2 ARG 25 -13.630 6.835 -1.577 211 H GLN 26 H GLN 26 -4.545 6.268 0.662 212 HA GLN 26 HA GLN 26 -5.542 7.267 3.146 213 HB2 GLN 26 2HB GLN 26 -3.375 5.166 2.710 214 HB3 GLN 26 3HB GLN 26 -4.269 5.438 4.201 215 HG2 GLN 26 2HG GLN 26 -5.331 4.332 1.596 216 HG3 GLN 26 3HG GLN 26 -5.144 3.476 3.118 217 HE21 GLN 26 1HE2 GLN 26 -7.507 3.964 1.360 218 HE22 GLN 26 2HE2 GLN 26 -8.707 4.633 2.406 219 H ALA 27 H ALA 27 -2.275 7.127 1.704 220 HA ALA 27 HA ALA 27 -0.814 8.323 3.759 221 HB1 ALA 27 3HB ALA 27 0.893 8.779 2.054 222 HB2 ALA 27 1HB ALA 27 -0.291 8.484 0.777 223 HB3 ALA 27 2HB ALA 27 0.200 7.170 1.847 224 H ARG 28 H ARG 28 -2.647 9.835 1.139 225 HA ARG 28 HA ARG 28 -1.719 12.510 1.597 226 HB2 ARG 28 2HB ARG 28 -4.173 11.557 0.065 227 HB3 ARG 28 3HB ARG 28 -3.515 13.189 0.025 228 HG2 ARG 28 2HG ARG 28 -1.407 12.261 -0.976 229 HG3 ARG 28 3HG ARG 28 -2.180 10.678 -1.017 230 HD2 ARG 28 2HD ARG 28 -2.344 11.773 -3.202 231 HD3 ARG 28 3HD ARG 28 -3.946 11.554 -2.495 232 HE ARG 28 HE ARG 28 -2.514 14.141 -2.330 233 HH11 ARG 28 1HH1 ARG 28 -5.404 12.339 -3.279 234 HH12 ARG 28 2HH1 ARG 28 -6.297 13.769 -3.682 235 HH21 ARG 28 1HH2 ARG 28 -3.703 15.995 -2.905 236 HH22 ARG 28 2HH2 ARG 28 -5.335 15.835 -3.470 237 H LYS 29 H LYS 29 -4.715 10.736 2.489 238 HA LYS 29 HA LYS 29 -6.017 12.975 3.691 239 HB2 LYS 29 2HB LYS 29 -7.657 11.439 4.567 240 HB3 LYS 29 3HB LYS 29 -7.221 10.883 2.957 241 HG2 LYS 29 2HG LYS 29 -5.938 9.062 3.819 242 HG3 LYS 29 3HG LYS 29 -5.963 9.726 5.449 243 HD2 LYS 29 2HD LYS 29 -7.460 7.815 5.306 244 HD3 LYS 29 3HD LYS 29 -8.386 9.285 5.604 245 HE2 LYS 29 2HE LYS 29 -8.991 9.356 3.197 246 HE3 LYS 29 3HE LYS 29 -8.096 7.851 2.944 247 HZ1 LYS 29 3HZ LYS 29 -10.470 7.451 3.244 248 HZ2 LYS 29 1HZ LYS 29 -10.425 8.181 4.768 249 HZ3 LYS 29 2HZ LYS 29 -9.580 6.743 4.493 250 H PHE 30 H PHE 30 -3.729 10.603 4.900 251 HA PHE 30 HA PHE 30 -3.959 11.433 7.686 252 HB2 PHE 30 2HB PHE 30 -2.079 9.476 6.297 253 HB3 PHE 30 3HB PHE 30 -2.066 9.787 8.028 254 HD1 PHE 30 HD1 PHE 30 -4.928 9.809 8.736 255 HD2 PHE 30 HD2 PHE 30 -2.809 7.267 6.039 256 HE1 PHE 30 HE1 PHE 30 -6.576 8.018 9.122 257 HE2 PHE 30 HE2 PHE 30 -4.467 5.479 6.421 258 HZ PHE 30 HZ PHE 30 -6.352 5.855 7.965 259 H ALA 31 H ALA 31 -2.467 12.690 4.994 260 HA ALA 31 HA ALA 31 -1.125 14.446 4.616 261 HB1 ALA 31 3HB ALA 31 -1.014 14.827 7.627 262 HB2 ALA 31 1HB ALA 31 -2.219 15.525 6.542 263 HB3 ALA 31 2HB ALA 31 -0.529 16.007 6.406 264 H GLY 32 H GLY 32 0.195 12.565 3.908 265 HA2 GLY 32 2HA GLY 32 2.946 12.936 4.869 266 HA3 GLY 32 3HA GLY 32 2.301 11.295 4.871 267 H THR 33 H THR 33 4.331 11.232 3.378 268 HA THR 33 HA THR 33 3.751 12.014 0.588 269 HB THR 33 HB THR 33 6.376 11.083 1.874 270 HG1 THR 33 HG1 THR 33 5.306 13.669 1.391 271 HG21 THR 33 3HG2 THR 33 7.466 11.945 -0.154 272 HG22 THR 33 1HG2 THR 33 5.894 12.367 -0.840 273 HG23 THR 33 2HG2 THR 33 6.314 10.674 -0.567 274 H VAL 34 H VAL 34 3.924 10.333 -1.071 275 HA VAL 34 HA VAL 34 4.191 7.547 -0.198 276 HB VAL 34 HB VAL 34 1.818 7.865 0.002 277 HG11 VAL 34 1HG1 VAL 34 0.346 8.681 -1.788 278 HG12 VAL 34 2HG1 VAL 34 1.753 9.007 -2.801 279 HG13 VAL 34 3HG1 VAL 34 1.520 9.906 -1.301 280 HG21 VAL 34 3HG2 VAL 34 2.484 5.723 -0.986 281 HG22 VAL 34 1HG2 VAL 34 2.354 6.412 -2.609 282 HG23 VAL 34 2HG2 VAL 34 0.913 6.236 -1.605 283 H THR 35 H THR 35 5.909 7.034 -1.377 284 HA THR 35 HA THR 35 6.104 7.651 -4.247 285 HB THR 35 HB THR 35 8.100 6.146 -2.472 286 HG1 THR 35 HG1 THR 35 7.647 8.907 -2.852 287 HG21 THR 35 3HG2 THR 35 8.475 5.873 -4.910 288 HG22 THR 35 1HG2 THR 35 9.755 6.832 -4.164 289 HG23 THR 35 2HG2 THR 35 8.493 7.629 -5.103 290 H TYR 36 H TYR 36 6.398 5.890 -5.781 291 HA TYR 36 HA TYR 36 5.954 3.155 -4.930 292 HB2 TYR 36 2HB TYR 36 4.051 2.771 -6.492 293 HB3 TYR 36 3HB TYR 36 3.646 3.859 -5.173 294 HD1 TYR 36 HD2 TYR 36 3.471 6.350 -5.636 295 HD2 TYR 36 HD1 TYR 36 3.799 3.489 -8.793 296 HE1 TYR 36 HE2 TYR 36 2.612 8.004 -7.228 297 HE2 TYR 36 HE1 TYR 36 2.929 5.151 -10.380 298 HH TYR 36 HH TYR 36 1.563 7.218 -10.335 299 H THR 37 H THR 37 6.693 1.670 -6.314 300 HA THR 37 HA THR 37 7.934 2.522 -8.873 301 HB THR 37 HB THR 37 8.914 0.305 -6.996 302 HG1 THR 37 HG1 THR 37 9.887 1.858 -5.970 303 HG21 THR 37 3HG2 THR 37 10.234 1.550 -9.444 304 HG22 THR 37 1HG2 THR 37 9.526 -0.065 -9.375 305 HG23 THR 37 2HG2 THR 37 10.944 0.318 -8.397 306 H LEU 38 H LEU 38 6.581 1.767 -10.441 307 HA LEU 38 HA LEU 38 5.167 -0.750 -10.218 308 HB2 LEU 38 2HB LEU 38 5.443 1.213 -12.529 309 HB3 LEU 38 3HB LEU 38 4.468 -0.246 -12.603 310 HG LEU 38 HG LEU 38 3.989 2.155 -10.794 311 HD11 LEU 38 1HD1 LEU 38 1.913 2.443 -12.086 312 HD12 LEU 38 2HD1 LEU 38 2.349 1.081 -13.118 313 HD13 LEU 38 3HD1 LEU 38 3.333 2.549 -13.129 314 HD21 LEU 38 3HD2 LEU 38 1.949 0.992 -10.047 315 HD22 LEU 38 1HD2 LEU 38 3.415 0.129 -9.582 316 HD23 LEU 38 2HD2 LEU 38 2.445 -0.448 -10.940 317 H ASP 39 H ASP 39 6.287 -2.546 -10.355 318 HA ASP 39 HA ASP 39 8.397 -2.919 -12.421 319 HB2 ASP 39 2HB ASP 39 9.025 -3.104 -9.928 320 HB3 ASP 39 3HB ASP 39 7.993 -4.520 -9.849 321 H GLY 40 H GLY 40 8.466 -5.428 -13.047 322 HA2 GLY 40 2HA GLY 40 6.136 -5.977 -14.515 323 HA3 GLY 40 3HA GLY 40 7.465 -7.096 -14.265 324 H ASN 41 H ASN 41 4.319 -6.070 -13.204 325 HA ASN 41 HA ASN 41 2.665 -6.936 -11.954 326 HB2 ASN 41 2HB ASN 41 4.086 -9.545 -12.570 327 HB3 ASN 41 3HB ASN 41 2.549 -9.468 -11.707 328 HD21 ASN 41 1HD2 ASN 41 0.693 -8.741 -12.803 329 HD22 ASN 41 2HD2 ASN 41 0.598 -8.758 -14.532 330 H ASP 42 H ASP 42 4.950 -5.896 -10.686 331 HA ASP 42 HA ASP 42 4.551 -6.909 -7.967 332 HB2 ASP 42 2HB ASP 42 6.593 -8.038 -8.690 333 HB3 ASP 42 3HB ASP 42 7.264 -6.538 -9.313 334 H LEU 43 H LEU 43 4.186 -5.212 -6.655 335 HA LEU 43 HA LEU 43 4.598 -2.454 -7.663 336 HB2 LEU 43 2HB LEU 43 2.245 -2.983 -7.712 337 HB3 LEU 43 3HB LEU 43 2.315 -3.770 -6.144 338 HG LEU 43 HG LEU 43 2.744 -1.506 -5.100 339 HD11 LEU 43 1HD1 LEU 43 2.186 0.519 -6.348 340 HD12 LEU 43 2HD1 LEU 43 2.028 -0.422 -7.831 341 HD13 LEU 43 3HD1 LEU 43 3.596 -0.290 -7.030 342 HD21 LEU 43 3HD2 LEU 43 0.131 -1.843 -6.590 343 HD22 LEU 43 1HD2 LEU 43 0.396 -0.804 -5.189 344 HD23 LEU 43 2HD2 LEU 43 0.544 -2.551 -5.027 345 H GLU 44 H GLU 44 6.051 -1.380 -6.435 346 HA GLU 44 HA GLU 44 6.380 -2.002 -3.558 347 HB2 GLU 44 2HB GLU 44 8.416 -2.072 -4.979 348 HB3 GLU 44 3HB GLU 44 8.129 -0.418 -5.498 349 HG2 GLU 44 2HG GLU 44 8.487 0.368 -3.181 350 HG3 GLU 44 3HG GLU 44 8.788 -1.293 -2.667 351 H ILE 45 H ILE 45 5.770 -0.503 -2.062 352 HA ILE 45 HA ILE 45 5.148 2.300 -2.857 353 HB ILE 45 HB ILE 45 3.421 0.610 -0.960 354 HG12 ILE 45 2HG1 ILE 45 2.721 1.565 -3.777 355 HG13 ILE 45 3HG1 ILE 45 3.153 -0.086 -3.353 356 HG21 ILE 45 1HG2 ILE 45 1.869 2.533 -0.951 357 HG22 ILE 45 2HG2 ILE 45 2.980 3.445 -1.974 358 HG23 ILE 45 3HG2 ILE 45 3.460 2.989 -0.338 359 HD11 ILE 45 3HD1 ILE 45 0.779 0.141 -3.613 360 HD12 ILE 45 1HD1 ILE 45 0.728 1.414 -2.396 361 HD13 ILE 45 2HD1 ILE 45 1.168 -0.233 -1.935 362 H ARG 46 H ARG 46 6.174 3.727 -1.502 363 HA ARG 46 HA ARG 46 6.834 2.892 1.264 364 HB2 ARG 46 2HB ARG 46 8.602 4.412 -0.698 365 HB3 ARG 46 3HB ARG 46 8.921 4.343 1.035 366 HG2 ARG 46 2HG ARG 46 9.147 1.918 0.948 367 HG3 ARG 46 3HG ARG 46 8.731 1.907 -0.764 368 HD2 ARG 46 2HD ARG 46 10.793 3.045 -1.329 369 HD3 ARG 46 3HD ARG 46 11.171 3.297 0.379 370 HE ARG 46 HE ARG 46 11.179 0.751 0.498 371 HH11 ARG 46 1HH1 ARG 46 12.121 2.426 -2.450 372 HH12 ARG 46 2HH1 ARG 46 13.191 1.159 -2.955 373 HH21 ARG 46 1HH2 ARG 46 12.642 -0.856 -0.137 374 HH22 ARG 46 2HH2 ARG 46 13.486 -0.702 -1.647 375 H ILE 47 H ILE 47 5.589 3.966 2.533 376 HA ILE 47 HA ILE 47 4.682 6.709 1.921 377 HB ILE 47 HB ILE 47 3.514 4.699 3.911 378 HG12 ILE 47 2HG1 ILE 47 2.497 5.553 1.158 379 HG13 ILE 47 3HG1 ILE 47 3.188 3.985 1.548 380 HG21 ILE 47 1HG2 ILE 47 2.461 7.415 3.027 381 HG22 ILE 47 2HG2 ILE 47 3.119 7.024 4.616 382 HG23 ILE 47 3HG2 ILE 47 1.612 6.281 4.084 383 HD11 ILE 47 3HD1 ILE 47 1.289 3.539 3.037 384 HD12 ILE 47 1HD1 ILE 47 0.794 3.852 1.373 385 HD13 ILE 47 2HD1 ILE 47 0.595 5.103 2.599 386 H THR 48 H THR 48 5.640 8.297 2.998 387 HA THR 48 HA THR 48 7.094 7.795 5.532 388 HB THR 48 HB THR 48 7.862 9.873 3.421 389 HG1 THR 48 HG1 THR 48 9.160 7.358 3.654 390 HG21 THR 48 3HG2 THR 48 10.082 9.783 4.487 391 HG22 THR 48 1HG2 THR 48 9.496 8.570 5.636 392 HG23 THR 48 2HG2 THR 48 8.846 10.208 5.667 393 H GLY 49 H GLY 49 7.306 9.883 6.849 394 HA2 GLY 49 2HA GLY 49 6.626 12.017 7.522 395 HA3 GLY 49 3HA GLY 49 5.381 12.027 6.285 396 H VAL 50 H VAL 50 4.072 9.637 6.878 397 HA VAL 50 HA VAL 50 2.336 10.347 8.978 398 HB VAL 50 HB VAL 50 1.297 8.095 8.650 399 HG11 VAL 50 1HG1 VAL 50 0.574 8.429 6.307 400 HG12 VAL 50 2HG1 VAL 50 1.897 9.570 6.053 401 HG13 VAL 50 3HG1 VAL 50 0.612 9.950 7.201 402 HG21 VAL 50 3HG2 VAL 50 3.565 7.583 6.684 403 HG22 VAL 50 1HG2 VAL 50 2.144 6.554 6.911 404 HG23 VAL 50 2HG2 VAL 50 3.310 6.752 8.218 405 HA PRO 51 HA PRO 51 4.788 8.937 12.518 406 HB2 PRO 51 2HB PRO 51 2.762 8.975 14.422 407 HB3 PRO 51 3HB PRO 51 3.619 10.423 13.860 408 HG2 PRO 51 2HG PRO 51 0.956 9.360 13.012 409 HG3 PRO 51 3HG PRO 51 1.448 11.036 13.346 410 HD2 PRO 51 2HD PRO 51 1.225 10.107 10.822 411 HD3 PRO 51 3HD PRO 51 2.470 11.294 11.270 412 H GLU 52 H GLU 52 4.568 7.250 14.327 413 HA GLU 52 HA GLU 52 4.573 4.768 12.974 414 HB2 GLU 52 2HB GLU 52 6.090 5.437 14.852 415 HB3 GLU 52 3HB GLU 52 4.743 5.273 15.970 416 HG2 GLU 52 2HG GLU 52 6.171 3.316 16.089 417 HG3 GLU 52 3HG GLU 52 4.594 2.877 15.436 418 H GLN 53 H GLN 53 2.261 6.228 15.194 419 HA GLN 53 HA GLN 53 0.552 4.030 15.652 420 HB2 GLN 53 2HB GLN 53 -1.168 5.734 16.234 421 HB3 GLN 53 3HB GLN 53 0.381 6.053 17.007 422 HG2 GLN 53 2HG GLN 53 0.837 7.901 15.595 423 HG3 GLN 53 3HG GLN 53 -0.412 7.436 14.440 424 HE21 GLN 53 1HE2 GLN 53 -2.572 7.907 14.892 425 HE22 GLN 53 2HE2 GLN 53 -3.030 9.060 16.096 426 H VAL 54 H VAL 54 0.679 6.387 13.034 427 HA VAL 54 HA VAL 54 -1.796 5.579 11.796 428 HB VAL 54 HB VAL 54 0.416 7.456 10.852 429 HG11 VAL 54 1HG1 VAL 54 -1.167 8.270 9.133 430 HG12 VAL 54 2HG1 VAL 54 -2.303 6.992 9.573 431 HG13 VAL 54 3HG1 VAL 54 -0.736 6.579 8.878 432 HG21 VAL 54 3HG2 VAL 54 -0.801 8.260 12.829 433 HG22 VAL 54 1HG2 VAL 54 -2.344 8.043 11.994 434 HG23 VAL 54 2HG2 VAL 54 -1.188 9.250 11.423 435 H ARG 55 H ARG 55 1.625 4.848 11.378 436 HA ARG 55 HA ARG 55 1.510 3.442 8.933 437 HB2 ARG 55 2HB ARG 55 3.410 3.172 11.303 438 HB3 ARG 55 3HB ARG 55 3.636 2.312 9.783 439 HG2 ARG 55 2HG ARG 55 3.601 4.590 8.632 440 HG3 ARG 55 3HG ARG 55 3.702 5.305 10.239 441 HD2 ARG 55 2HD ARG 55 5.730 3.304 9.219 442 HD3 ARG 55 3HD ARG 55 5.887 5.030 8.929 443 HE ARG 55 HE ARG 55 6.101 3.659 11.535 444 HH11 ARG 55 1HH1 ARG 55 6.489 6.595 9.630 445 HH12 ARG 55 2HH1 ARG 55 7.411 7.411 10.845 446 HH21 ARG 55 1HH2 ARG 55 7.336 4.758 13.134 447 HH22 ARG 55 2HH2 ARG 55 7.890 6.380 12.821 448 H LYS 56 H LYS 56 0.732 2.430 12.221 449 HA LYS 56 HA LYS 56 0.277 -0.315 11.757 450 HB2 LYS 56 2HB LYS 56 -1.146 1.535 13.721 451 HB3 LYS 56 3HB LYS 56 -1.151 -0.224 13.794 452 HG2 LYS 56 2HG LYS 56 1.257 1.578 14.149 453 HG3 LYS 56 3HG LYS 56 0.404 0.699 15.420 454 HD2 LYS 56 2HD LYS 56 1.058 -1.452 14.370 455 HD3 LYS 56 3HD LYS 56 1.906 -0.576 13.094 456 HE2 LYS 56 2HE LYS 56 2.597 -0.529 16.045 457 HE3 LYS 56 3HE LYS 56 3.465 -1.408 14.788 458 HZ1 LYS 56 3HZ LYS 56 4.571 0.645 15.321 459 HZ2 LYS 56 1HZ LYS 56 3.178 1.534 14.973 460 HZ3 LYS 56 2HZ LYS 56 3.990 0.714 13.738 461 H GLU 57 H GLU 57 -1.761 2.517 11.194 462 HA GLU 57 HA GLU 57 -4.198 1.111 10.639 463 HB2 GLU 57 2HB GLU 57 -3.434 3.877 9.594 464 HB3 GLU 57 3HB GLU 57 -5.056 3.240 9.830 465 HG2 GLU 57 2HG GLU 57 -3.061 4.095 11.919 466 HG3 GLU 57 3HG GLU 57 -4.656 4.774 11.605 467 H LEU 58 H LEU 58 -1.564 2.418 8.655 468 HA LEU 58 HA LEU 58 -2.501 1.687 6.104 469 HB2 LEU 58 2HB LEU 58 0.236 2.293 7.227 470 HB3 LEU 58 3HB LEU 58 0.124 1.614 5.616 471 HG LEU 58 HG LEU 58 0.340 3.984 5.376 472 HD11 LEU 58 1HD1 LEU 58 -1.201 2.937 3.793 473 HD12 LEU 58 2HD1 LEU 58 -1.658 4.604 4.119 474 HD13 LEU 58 3HD1 LEU 58 -2.564 3.283 4.860 475 HD21 LEU 58 3HD2 LEU 58 -2.022 4.363 7.242 476 HD22 LEU 58 1HD2 LEU 58 -1.191 5.640 6.347 477 HD23 LEU 58 2HD2 LEU 58 -0.334 4.740 7.594 478 H ALA 59 H ALA 59 -0.949 -0.260 8.606 479 HA ALA 59 HA ALA 59 -0.294 -2.525 7.073 480 HB1 ALA 59 3HB ALA 59 -0.283 -3.753 9.194 481 HB2 ALA 59 1HB ALA 59 -1.151 -2.434 9.990 482 HB3 ALA 59 2HB ALA 59 0.487 -2.181 9.388 483 H LYS 60 H LYS 60 -3.309 -1.796 8.893 484 HA LYS 60 HA LYS 60 -4.668 -4.181 8.053 485 HB2 LYS 60 2HB LYS 60 -5.758 -1.626 9.280 486 HB3 LYS 60 3HB LYS 60 -6.772 -2.990 8.871 487 HG2 LYS 60 2HG LYS 60 -6.453 -3.512 11.066 488 HG3 LYS 60 3HG LYS 60 -4.997 -4.282 10.442 489 HD2 LYS 60 2HD LYS 60 -4.419 -2.997 12.405 490 HD3 LYS 60 3HD LYS 60 -3.725 -2.192 10.998 491 HE2 LYS 60 2HE LYS 60 -5.545 -0.537 11.019 492 HE3 LYS 60 3HE LYS 60 -6.319 -1.370 12.371 493 HZ1 LYS 60 3HZ LYS 60 -4.445 -0.848 13.764 494 HZ2 LYS 60 1HZ LYS 60 -5.011 0.584 13.064 495 HZ3 LYS 60 2HZ LYS 60 -3.611 -0.152 12.472 496 H GLU 61 H GLU 61 -4.408 -0.902 6.741 497 HA GLU 61 HA GLU 61 -6.496 -1.107 4.809 498 HB2 GLU 61 2HB GLU 61 -3.998 0.647 4.880 499 HB3 GLU 61 3HB GLU 61 -5.246 0.782 3.650 500 HG2 GLU 61 2HG GLU 61 -5.590 1.254 6.611 501 HG3 GLU 61 3HG GLU 61 -5.547 2.488 5.353 502 H ALA 62 H ALA 62 -3.010 -1.761 4.736 503 HA ALA 62 HA ALA 62 -2.738 -2.564 2.080 504 HB1 ALA 62 3HB ALA 62 -0.879 -2.082 3.646 505 HB2 ALA 62 1HB ALA 62 -0.668 -3.616 2.810 506 HB3 ALA 62 2HB ALA 62 -1.207 -3.597 4.492 507 H GLU 63 H GLU 63 -3.582 -4.500 4.949 508 HA GLU 63 HA GLU 63 -3.589 -7.046 3.699 509 HB2 GLU 63 2HB GLU 63 -4.920 -6.067 6.253 510 HB3 GLU 63 3HB GLU 63 -4.797 -7.763 5.792 511 HG2 GLU 63 2HG GLU 63 -2.336 -7.609 5.856 512 HG3 GLU 63 3HG GLU 63 -2.458 -5.909 6.301 513 H ARG 64 H ARG 64 -6.218 -4.687 4.262 514 HA ARG 64 HA ARG 64 -8.318 -6.447 3.408 515 HB2 ARG 64 2HB ARG 64 -9.800 -4.484 3.397 516 HB3 ARG 64 3HB ARG 64 -8.835 -4.520 4.868 517 HG2 ARG 64 2HG ARG 64 -7.328 -2.820 3.913 518 HG3 ARG 64 3HG ARG 64 -8.309 -2.774 2.452 519 HD2 ARG 64 2HD ARG 64 -9.408 -2.098 5.201 520 HD3 ARG 64 3HD ARG 64 -8.698 -0.899 4.123 521 HE ARG 64 HE ARG 64 -10.850 -2.448 2.950 522 HH11 ARG 64 1HH1 ARG 64 -10.083 0.482 4.789 523 HH12 ARG 64 2HH1 ARG 64 -11.549 1.292 4.323 524 HH21 ARG 64 1HH2 ARG 64 -12.724 -1.347 2.309 525 HH22 ARG 64 2HH2 ARG 64 -13.049 0.253 2.910 526 H LEU 65 H LEU 65 -6.266 -4.052 1.759 527 HA LEU 65 HA LEU 65 -7.568 -4.209 -0.797 528 HB2 LEU 65 2HB LEU 65 -4.695 -3.425 -0.135 529 HB3 LEU 65 3HB LEU 65 -5.492 -3.141 -1.675 530 HG LEU 65 HG LEU 65 -6.279 -1.879 0.973 531 HD11 LEU 65 1HD1 LEU 65 -5.445 0.223 0.041 532 HD12 LEU 65 2HD1 LEU 65 -4.902 -0.621 -1.413 533 HD13 LEU 65 3HD1 LEU 65 -4.167 -0.985 0.150 534 HD21 LEU 65 3HD2 LEU 65 -7.819 -0.476 -0.322 535 HD22 LEU 65 1HD2 LEU 65 -8.246 -2.183 -0.416 536 HD23 LEU 65 2HD2 LEU 65 -7.444 -1.398 -1.779 537 H ALA 66 H ALA 66 -5.023 -6.028 0.779 538 HA ALA 66 HA ALA 66 -3.964 -7.445 -1.405 539 HB1 ALA 66 3HB ALA 66 -3.022 -8.960 0.263 540 HB2 ALA 66 1HB ALA 66 -4.122 -8.324 1.493 541 HB3 ALA 66 2HB ALA 66 -2.874 -7.286 0.801 542 H LYS 67 H LYS 67 -6.456 -8.418 0.940 543 HA LYS 67 HA LYS 67 -6.991 -10.953 -0.311 544 HB2 LYS 67 2HB LYS 67 -8.782 -11.156 1.381 545 HB3 LYS 67 3HB LYS 67 -7.264 -10.648 2.109 546 HG2 LYS 67 2HG LYS 67 -8.110 -8.286 2.088 547 HG3 LYS 67 3HG LYS 67 -9.665 -8.889 1.521 548 HD2 LYS 67 2HD LYS 67 -8.339 -9.599 4.167 549 HD3 LYS 67 3HD LYS 67 -9.677 -8.474 3.953 550 HE2 LYS 67 2HE LYS 67 -11.098 -10.328 3.138 551 HE3 LYS 67 3HE LYS 67 -9.757 -11.450 3.375 552 HZ1 LYS 67 3HZ LYS 67 -11.130 -9.884 5.494 553 HZ2 LYS 67 1HZ LYS 67 -9.793 -10.885 5.748 554 HZ3 LYS 67 2HZ LYS 67 -11.257 -11.547 5.236 555 H GLU 68 H GLU 68 -8.160 -7.736 -0.766 556 HA GLU 68 HA GLU 68 -10.727 -8.370 -1.907 557 HB2 GLU 68 2HB GLU 68 -10.201 -6.187 -0.785 558 HB3 GLU 68 3HB GLU 68 -9.090 -5.798 -2.091 559 HG2 GLU 68 2HG GLU 68 -11.220 -4.623 -2.342 560 HG3 GLU 68 3HG GLU 68 -10.951 -5.737 -3.681 561 H PHE 69 H PHE 69 -7.617 -7.217 -3.224 562 HA PHE 69 HA PHE 69 -8.549 -7.520 -5.982 563 HB2 PHE 69 2HB PHE 69 -5.968 -6.362 -4.845 564 HB3 PHE 69 3HB PHE 69 -6.444 -6.310 -6.535 565 HD1 PHE 69 HD1 PHE 69 -8.999 -5.299 -6.832 566 HD2 PHE 69 HD2 PHE 69 -6.253 -4.361 -3.690 567 HE1 PHE 69 HE1 PHE 69 -10.155 -3.162 -6.448 568 HE2 PHE 69 HE2 PHE 69 -7.416 -2.227 -3.316 569 HZ PHE 69 HZ PHE 69 -9.359 -1.624 -4.690 570 H ASN 70 H ASN 70 -7.276 -9.603 -3.816 571 HA ASN 70 HA ASN 70 -6.290 -11.628 -3.881 572 HB2 ASN 70 2HB ASN 70 -7.996 -12.026 -5.671 573 HB3 ASN 70 3HB ASN 70 -6.843 -11.492 -6.885 574 HD21 ASN 70 1HD2 ASN 70 -6.917 -13.455 -7.972 575 HD22 ASN 70 2HD2 ASN 70 -6.205 -14.904 -7.349 576 H ILE 71 H ILE 71 -4.538 -9.872 -3.477 577 HA ILE 71 HA ILE 71 -2.135 -10.583 -5.021 578 HB ILE 71 HB ILE 71 -1.296 -8.211 -4.652 579 HG12 ILE 71 2HG1 ILE 71 -4.200 -7.728 -3.851 580 HG13 ILE 71 3HG1 ILE 71 -2.765 -7.429 -2.879 581 HG21 ILE 71 1HG2 ILE 71 -2.447 -7.242 -6.577 582 HG22 ILE 71 2HG2 ILE 71 -3.761 -8.407 -6.414 583 HG23 ILE 71 3HG2 ILE 71 -2.144 -8.957 -6.854 584 HD11 ILE 71 3HD1 ILE 71 -3.660 -5.348 -3.664 585 HD12 ILE 71 1HD1 ILE 71 -3.627 -5.907 -5.336 586 HD13 ILE 71 2HD1 ILE 71 -2.116 -5.639 -4.465 587 H THR 72 H THR 72 -0.223 -10.647 -3.796 588 HA THR 72 HA THR 72 -0.553 -11.281 -0.981 589 HB THR 72 HB THR 72 2.027 -11.726 -1.261 590 HG1 THR 72 HG1 THR 72 2.738 -11.934 -3.362 591 HG21 THR 72 3HG2 THR 72 1.641 -13.920 -2.299 592 HG22 THR 72 1HG2 THR 72 0.061 -13.392 -2.881 593 HG23 THR 72 2HG2 THR 72 0.357 -13.552 -1.147 594 H VAL 73 H VAL 73 0.014 -9.929 0.702 595 HA VAL 73 HA VAL 73 1.409 -7.397 0.048 596 HB VAL 73 HB VAL 73 -0.900 -7.070 0.944 597 HG11 VAL 73 1HG1 VAL 73 0.093 -8.334 3.517 598 HG12 VAL 73 2HG1 VAL 73 -1.124 -9.002 2.427 599 HG13 VAL 73 3HG1 VAL 73 -1.452 -7.501 3.297 600 HG21 VAL 73 3HG2 VAL 73 -0.303 -5.389 2.656 601 HG22 VAL 73 1HG2 VAL 73 0.762 -5.323 1.252 602 HG23 VAL 73 2HG2 VAL 73 1.321 -6.069 2.752 603 H THR 74 H THR 74 3.278 -6.954 1.080 604 HA THR 74 HA THR 74 3.874 -8.194 3.668 605 HB THR 74 HB THR 74 5.185 -9.518 2.065 606 HG1 THR 74 HG1 THR 74 7.297 -9.013 2.949 607 HG21 THR 74 3HG2 THR 74 6.932 -8.539 0.639 608 HG22 THR 74 1HG2 THR 74 6.458 -6.913 1.147 609 HG23 THR 74 2HG2 THR 74 5.349 -7.900 0.197 610 H TYR 75 H TYR 75 4.517 -6.664 5.090 611 HA TYR 75 HA TYR 75 5.251 -3.976 4.134 612 HB2 TYR 75 2HB TYR 75 3.670 -3.032 5.940 613 HB3 TYR 75 3HB TYR 75 2.907 -3.679 4.496 614 HD1 TYR 75 HD1 TYR 75 3.440 -4.244 8.139 615 HD2 TYR 75 HD2 TYR 75 1.519 -5.699 4.605 616 HE1 TYR 75 HE1 TYR 75 2.056 -5.756 9.501 617 HE2 TYR 75 HE2 TYR 75 0.140 -7.197 5.975 618 HH TYR 75 HH TYR 75 0.155 -8.257 8.110 619 H THR 76 H THR 76 6.762 -2.968 5.377 620 HA THR 76 HA THR 76 7.842 -4.452 7.696 621 HB THR 76 HB THR 76 9.270 -2.386 5.940 622 HG1 THR 76 HG1 THR 76 8.687 -4.508 4.961 623 HG21 THR 76 3HG2 THR 76 11.337 -3.222 7.021 624 HG22 THR 76 1HG2 THR 76 10.378 -4.303 8.040 625 HG23 THR 76 2HG2 THR 76 10.234 -2.557 8.222 626 H ILE 77 H ILE 77 7.291 -3.606 9.552 627 HA ILE 77 HA ILE 77 7.661 -0.785 10.151 628 HB ILE 77 HB ILE 77 5.479 -0.940 11.663 629 HG12 ILE 77 2HG1 ILE 77 4.727 -2.884 9.429 630 HG13 ILE 77 3HG1 ILE 77 4.908 -3.289 11.131 631 HG21 ILE 77 1HG2 ILE 77 5.239 -0.372 8.700 632 HG22 ILE 77 2HG2 ILE 77 5.809 0.753 9.933 633 HG23 ILE 77 3HG2 ILE 77 4.139 0.193 9.960 634 HD11 ILE 77 3HD1 ILE 77 2.993 -1.830 11.661 635 HD12 ILE 77 1HD1 ILE 77 2.579 -3.134 10.547 636 HD13 ILE 77 2HD1 ILE 77 2.796 -1.495 9.938 637 H ARG 78 H ARG 78 8.919 -0.723 11.900 638 HA ARG 78 HA ARG 78 8.653 -2.522 14.129 639 HB2 ARG 78 2HB ARG 78 10.996 -3.446 13.939 640 HB3 ARG 78 3HB ARG 78 9.873 -4.057 12.736 641 HG2 ARG 78 2HG ARG 78 10.848 -2.516 11.048 642 HG3 ARG 78 3HG ARG 78 12.003 -1.941 12.251 643 HD2 ARG 78 2HD ARG 78 12.977 -4.173 12.433 644 HD3 ARG 78 3HD ARG 78 11.762 -4.821 11.324 645 HE ARG 78 HE ARG 78 13.192 -2.721 10.066 646 HH11 ARG 78 1HH1 ARG 78 13.620 -6.060 11.109 647 HH12 ARG 78 2HH1 ARG 78 14.827 -6.410 9.913 648 HH21 ARG 78 1HH2 ARG 78 14.793 -3.210 8.486 649 HH22 ARG 78 2HH2 ARG 78 15.488 -4.804 8.438 650 H GLY 79 H GLY 79 10.097 -2.001 15.873 651 HA2 GLY 79 2HA GLY 79 11.944 -0.157 16.309 652 HA3 GLY 79 3HA GLY 79 10.549 0.885 16.006 653 H SER 80 H SER 80 12.167 -1.073 18.278 654 HA SER 80 HA SER 80 11.934 -1.483 20.487 655 HB2 SER 80 2HB SER 80 9.835 0.716 20.312 656 HB3 SER 80 3HB SER 80 10.452 0.053 21.826 657 HG SER 80 HG SER 80 12.265 1.119 21.579 658 H LEU 81 H LEU 81 10.230 -2.917 18.444 659 HA LEU 81 HA LEU 81 7.789 -3.735 19.647 660 HB2 LEU 81 2HB LEU 81 9.528 -5.344 17.732 661 HB3 LEU 81 3HB LEU 81 7.846 -5.673 18.122 662 HG LEU 81 HG LEU 81 8.931 -3.316 16.549 663 HD11 LEU 81 1HD1 LEU 81 7.086 -5.582 15.732 664 HD12 LEU 81 2HD1 LEU 81 8.776 -5.378 15.262 665 HD13 LEU 81 3HD1 LEU 81 7.568 -4.219 14.714 666 HD21 LEU 81 3HD2 LEU 81 6.071 -3.767 17.461 667 HD22 LEU 81 1HD2 LEU 81 6.593 -2.560 16.282 668 HD23 LEU 81 2HD2 LEU 81 7.147 -2.454 17.949 669 H GLU 82 H GLU 82 11.090 -4.887 19.896 670 HA GLU 82 HA GLU 82 10.760 -7.175 21.471 671 HB2 GLU 82 2HB GLU 82 13.119 -6.768 22.214 672 HB3 GLU 82 3HB GLU 82 12.928 -6.660 20.473 673 HG2 GLU 82 2HG GLU 82 12.920 -4.180 20.645 674 HG3 GLU 82 3HG GLU 82 13.164 -4.320 22.385 675 H HIS 83 H HIS 83 10.550 -7.502 23.670 676 HA HIS 83 HA HIS 83 9.779 -5.175 25.323 677 HB2 HIS 83 2HB HIS 83 8.640 -6.757 26.792 678 HB3 HIS 83 3HB HIS 83 8.130 -7.051 25.135 679 HD1 HIS 83 HD1 HIS 83 9.245 -8.796 28.080 680 HD2 HIS 83 HD2 HIS 83 9.547 -9.421 23.983 681 HE1 HIS 83 HE1 HIS 83 9.843 -11.220 27.807 682 HE2 HIS 83 HE2 HIS 83 9.951 -11.591 25.319 683 H HIS 84 H HIS 84 10.731 -4.849 27.377 684 HA HIS 84 HA HIS 84 13.387 -5.841 27.782 685 HB2 HIS 84 2HB HIS 84 13.290 -4.656 29.978 686 HB3 HIS 84 3HB HIS 84 12.806 -3.629 28.638 687 HD1 HIS 84 HD1 HIS 84 11.408 -5.388 31.663 688 HD2 HIS 84 HD2 HIS 84 10.215 -2.596 28.826 689 HE1 HIS 84 HE1 HIS 84 9.248 -4.438 32.518 690 HE2 HIS 84 HE2 HIS 84 8.457 -2.897 30.694 691 H HIS 85 H HIS 85 13.727 -7.938 28.233 692 HA HIS 85 HA HIS 85 11.770 -9.664 29.377 693 HB2 HIS 85 2HB HIS 85 13.638 -11.389 29.445 694 HB3 HIS 85 3HB HIS 85 13.310 -10.695 27.864 695 HD1 HIS 85 HD1 HIS 85 15.263 -9.731 26.627 696 HD2 HIS 85 HD2 HIS 85 16.120 -10.324 30.659 697 HE1 HIS 85 HE1 HIS 85 17.729 -9.339 26.860 698 HE2 HIS 85 HE2 HIS 85 18.252 -9.820 29.274 699 H HIS 86 H HIS 86 11.330 -10.156 31.411 700 HA HIS 86 HA HIS 86 12.320 -8.594 33.576 701 HB2 HIS 86 2HB HIS 86 10.507 -11.046 33.596 702 HB3 HIS 86 3HB HIS 86 10.765 -9.975 34.968 703 HD1 HIS 86 HD1 HIS 86 8.559 -10.472 32.125 704 HD2 HIS 86 HD2 HIS 86 9.787 -7.221 34.409 705 HE1 HIS 86 HE1 HIS 86 6.847 -8.683 31.725 706 HE2 HIS 86 HE2 HIS 86 7.598 -6.731 33.129 707 H HIS 87 H HIS 87 13.325 -9.303 35.513 708 HA HIS 87 HA HIS 87 14.942 -11.774 35.384 709 HB2 HIS 87 2HB HIS 87 16.913 -10.515 36.248 710 HB3 HIS 87 3HB HIS 87 16.416 -9.929 34.663 711 HD1 HIS 87 HD1 HIS 87 16.654 -8.915 38.253 712 HD2 HIS 87 HD2 HIS 87 15.422 -7.261 34.641 713 HE1 HIS 87 HE1 HIS 87 16.411 -6.456 38.685 714 HE2 HIS 87 HE2 HIS 87 15.828 -5.456 36.454 715 H HIS 88 H HIS 88 15.642 -12.534 37.474 716 HA HIS 88 HA HIS 88 14.295 -11.413 39.852 717 HB2 HIS 88 2HB HIS 88 12.898 -13.304 38.817 718 HB3 HIS 88 3HB HIS 88 14.227 -14.398 39.168 719 HD1 HIS 88 HD1 HIS 88 11.131 -14.119 40.368 720 HD2 HIS 88 HD2 HIS 88 14.768 -13.596 42.314 721 HE1 HIS 88 HE1 HIS 88 10.659 -14.527 42.800 722 HE2 HIS 88 HE2 HIS 88 12.818 -13.976 43.969 Start of MODEL 5 1 H1 MET 1 1H MET 1 12.094 7.269 14.084 2 H2 MET 1 2H MET 1 10.882 6.094 14.086 3 H3 MET 1 3H MET 1 11.292 6.883 12.647 4 HA MET 1 HA MET 1 13.446 5.898 12.632 5 HB2 MET 1 2HB MET 1 14.120 4.237 14.332 6 HB3 MET 1 3HB MET 1 13.767 5.778 15.095 7 HG2 MET 1 2HG MET 1 11.569 4.926 15.825 8 HG3 MET 1 3HG MET 1 11.910 3.379 15.052 9 HE1 MET 1 3HE MET 1 14.795 1.960 17.316 10 HE2 MET 1 1HE MET 1 15.052 2.917 15.857 11 HE3 MET 1 2HE MET 1 13.783 1.692 15.898 12 H GLY 2 H GLY 2 13.661 4.102 11.326 13 HA2 GLY 2 2HA GLY 2 13.146 2.245 10.094 14 HA3 GLY 2 3HA GLY 2 12.207 1.698 11.473 15 H GLU 3 H GLU 3 12.112 3.498 8.445 16 HA GLU 3 HA GLU 3 9.353 4.298 8.705 17 HB2 GLU 3 2HB GLU 3 11.259 5.558 7.491 18 HB3 GLU 3 3HB GLU 3 11.046 4.419 6.168 19 HG2 GLU 3 2HG GLU 3 9.881 6.537 5.738 20 HG3 GLU 3 3HG GLU 3 8.746 5.195 5.839 21 H MET 4 H MET 4 7.879 3.816 6.586 22 HA MET 4 HA MET 4 7.664 0.870 6.627 23 HB2 MET 4 2HB MET 4 5.844 2.131 7.773 24 HB3 MET 4 3HB MET 4 5.473 2.975 6.271 25 HG2 MET 4 2HG MET 4 4.817 0.879 5.219 26 HG3 MET 4 3HG MET 4 5.303 -0.027 6.652 27 HE1 MET 4 3HE MET 4 2.575 -0.798 5.686 28 HE2 MET 4 1HE MET 4 1.548 -0.569 7.100 29 HE3 MET 4 2HE MET 4 3.159 -1.260 7.285 30 H ASP 5 H ASP 5 7.708 -0.226 4.811 31 HA ASP 5 HA ASP 5 7.206 1.045 2.192 32 HB2 ASP 5 2HB ASP 5 9.583 0.346 2.363 33 HB3 ASP 5 3HB ASP 5 9.098 -1.268 2.874 34 H ILE 6 H ILE 6 5.484 0.167 1.246 35 HA ILE 6 HA ILE 6 4.210 -2.291 2.305 36 HB ILE 6 HB ILE 6 2.879 0.135 0.971 37 HG12 ILE 6 2HG1 ILE 6 2.925 -0.592 3.933 38 HG13 ILE 6 3HG1 ILE 6 3.890 0.682 3.204 39 HG21 ILE 6 1HG2 ILE 6 0.754 -0.871 1.737 40 HG22 ILE 6 2HG2 ILE 6 1.632 -2.246 2.403 41 HG23 ILE 6 3HG2 ILE 6 1.623 -1.969 0.660 42 HD11 ILE 6 3HD1 ILE 6 2.016 1.623 4.304 43 HD12 ILE 6 1HD1 ILE 6 0.901 0.592 3.411 44 HD13 ILE 6 2HD1 ILE 6 1.824 1.838 2.564 45 H ARG 7 H ARG 7 4.562 -3.867 0.825 46 HA ARG 7 HA ARG 7 4.789 -3.125 -2.034 47 HB2 ARG 7 2HB ARG 7 6.951 -3.732 -0.831 48 HB3 ARG 7 3HB ARG 7 6.335 -5.373 -0.671 49 HG2 ARG 7 2HG ARG 7 6.398 -5.737 -3.039 50 HG3 ARG 7 3HG ARG 7 6.559 -4.010 -3.382 51 HD2 ARG 7 2HD ARG 7 8.649 -5.834 -2.145 52 HD3 ARG 7 3HD ARG 7 8.707 -5.053 -3.731 53 HE ARG 7 HE ARG 7 8.433 -3.087 -1.706 54 HH11 ARG 7 1HH1 ARG 7 10.907 -5.259 -2.983 55 HH12 ARG 7 2HH1 ARG 7 12.213 -4.235 -2.473 56 HH21 ARG 7 1HH2 ARG 7 10.118 -1.823 -1.017 57 HH22 ARG 7 2HH2 ARG 7 11.761 -2.281 -1.353 58 H PHE 8 H PHE 8 3.366 -4.071 -3.277 59 HA PHE 8 HA PHE 8 1.795 -6.396 -2.318 60 HB2 PHE 8 2HB PHE 8 1.170 -4.205 -4.354 61 HB3 PHE 8 3HB PHE 8 0.205 -5.664 -4.206 62 HD1 PHE 8 HD2 PHE 8 -1.284 -6.014 -2.302 63 HD2 PHE 8 HD1 PHE 8 1.044 -2.436 -2.626 64 HE1 PHE 8 HE2 PHE 8 -2.703 -4.929 -0.617 65 HE2 PHE 8 HE1 PHE 8 -0.386 -1.364 -0.936 66 HZ PHE 8 HZ PHE 8 -2.258 -2.608 0.064 67 H ARG 9 H ARG 9 1.783 -8.221 -3.562 68 HA ARG 9 HA ARG 9 2.941 -8.135 -6.281 69 HB2 ARG 9 2HB ARG 9 3.373 -10.160 -4.081 70 HB3 ARG 9 3HB ARG 9 3.196 -10.797 -5.709 71 HG2 ARG 9 2HG ARG 9 5.018 -9.206 -6.441 72 HG3 ARG 9 3HG ARG 9 5.270 -8.816 -4.741 73 HD2 ARG 9 2HD ARG 9 5.980 -11.058 -4.251 74 HD3 ARG 9 3HD ARG 9 5.464 -11.632 -5.843 75 HE ARG 9 HE ARG 9 7.433 -9.539 -5.880 76 HH11 ARG 9 1HH1 ARG 9 7.010 -13.031 -5.865 77 HH12 ARG 9 2HH1 ARG 9 8.575 -13.334 -6.557 78 HH21 ARG 9 1HH2 ARG 9 9.407 -9.925 -6.824 79 HH22 ARG 9 2HH2 ARG 9 9.939 -11.554 -7.102 80 H GLY 10 H GLY 10 1.647 -8.742 -7.834 81 HA2 GLY 10 2HA GLY 10 -0.876 -10.193 -7.210 82 HA3 GLY 10 3HA GLY 10 -0.850 -8.747 -8.221 83 H ASP 11 H ASP 11 -1.522 -11.639 -8.731 84 HA ASP 11 HA ASP 11 0.136 -12.505 -10.871 85 HB2 ASP 11 2HB ASP 11 -1.563 -13.953 -9.828 86 HB3 ASP 11 3HB ASP 11 -2.852 -12.893 -10.372 87 H ASP 12 H ASP 12 -2.172 -9.994 -10.475 88 HA ASP 12 HA ASP 12 -2.127 -9.224 -13.330 89 HB2 ASP 12 2HB ASP 12 -4.359 -10.042 -12.675 90 HB3 ASP 12 3HB ASP 12 -4.389 -8.948 -11.295 91 H LEU 13 H LEU 13 -1.148 -7.314 -13.653 92 HA LEU 13 HA LEU 13 -0.082 -5.731 -11.551 93 HB2 LEU 13 2HB LEU 13 1.019 -6.029 -13.764 94 HB3 LEU 13 3HB LEU 13 -0.261 -5.103 -14.523 95 HG LEU 13 HG LEU 13 0.463 -3.072 -13.243 96 HD11 LEU 13 1HD1 LEU 13 2.760 -4.790 -12.253 97 HD12 LEU 13 2HD1 LEU 13 1.447 -4.130 -11.273 98 HD13 LEU 13 3HD1 LEU 13 2.599 -3.043 -12.041 99 HD21 LEU 13 3HD2 LEU 13 2.694 -4.351 -14.861 100 HD22 LEU 13 1HD2 LEU 13 2.517 -2.628 -14.511 101 HD23 LEU 13 2HD2 LEU 13 1.324 -3.449 -15.515 102 H GLU 14 H GLU 14 -3.085 -5.524 -13.350 103 HA GLU 14 HA GLU 14 -3.601 -2.727 -12.871 104 HB2 GLU 14 2HB GLU 14 -5.317 -4.992 -13.908 105 HB3 GLU 14 3HB GLU 14 -6.098 -3.506 -13.368 106 HG2 GLU 14 2HG GLU 14 -4.621 -2.243 -14.986 107 HG3 GLU 14 3HG GLU 14 -4.084 -3.798 -15.622 108 H ALA 15 H ALA 15 -4.512 -5.738 -11.229 109 HA ALA 15 HA ALA 15 -6.291 -4.736 -9.307 110 HB1 ALA 15 3HB ALA 15 -4.381 -7.095 -9.119 111 HB2 ALA 15 1HB ALA 15 -6.014 -7.134 -9.778 112 HB3 ALA 15 2HB ALA 15 -5.763 -6.821 -8.061 113 H LEU 16 H LEU 16 -2.785 -4.942 -9.395 114 HA LEU 16 HA LEU 16 -2.140 -3.977 -6.828 115 HB2 LEU 16 2HB LEU 16 -0.596 -3.672 -9.436 116 HB3 LEU 16 3HB LEU 16 0.072 -3.404 -7.833 117 HG LEU 16 HG LEU 16 -0.903 -6.070 -8.925 118 HD11 LEU 16 1HD1 LEU 16 1.918 -5.119 -8.347 119 HD12 LEU 16 2HD1 LEU 16 1.201 -5.342 -9.945 120 HD13 LEU 16 3HD1 LEU 16 1.452 -6.734 -8.894 121 HD21 LEU 16 3HD2 LEU 16 -1.315 -5.929 -6.528 122 HD22 LEU 16 1HD2 LEU 16 0.356 -5.436 -6.246 123 HD23 LEU 16 2HD2 LEU 16 -0.001 -7.047 -6.866 124 H GLU 17 H GLU 17 -2.723 -2.314 -9.929 125 HA GLU 17 HA GLU 17 -1.917 0.287 -9.091 126 HB2 GLU 17 2HB GLU 17 -3.699 -0.540 -11.426 127 HB3 GLU 17 3HB GLU 17 -3.017 1.068 -11.195 128 HG2 GLU 17 2HG GLU 17 -0.737 0.159 -11.395 129 HG3 GLU 17 3HG GLU 17 -1.396 -1.463 -11.583 130 H LYS 18 H LYS 18 -5.063 -1.357 -9.020 131 HA LYS 18 HA LYS 18 -6.589 0.952 -8.234 132 HB2 LYS 18 2HB LYS 18 -7.166 -2.024 -8.186 133 HB3 LYS 18 3HB LYS 18 -8.251 -0.900 -7.381 134 HG2 LYS 18 2HG LYS 18 -9.216 -1.326 -9.489 135 HG3 LYS 18 3HG LYS 18 -8.520 0.289 -9.609 136 HD2 LYS 18 2HD LYS 18 -6.599 -0.624 -10.855 137 HD3 LYS 18 3HD LYS 18 -7.244 -2.258 -10.671 138 HE2 LYS 18 2HE LYS 18 -9.258 -1.561 -11.980 139 HE3 LYS 18 3HE LYS 18 -8.508 0.015 -12.237 140 HZ1 LYS 18 3HZ LYS 18 -7.575 -2.612 -13.225 141 HZ2 LYS 18 1HZ LYS 18 -6.622 -1.218 -13.267 142 HZ3 LYS 18 2HZ LYS 18 -8.069 -1.274 -14.133 143 H ALA 19 H ALA 19 -5.040 -1.756 -6.452 144 HA ALA 19 HA ALA 19 -5.649 -0.977 -3.812 145 HB1 ALA 19 3HB ALA 19 -4.636 -3.150 -4.388 146 HB2 ALA 19 1HB ALA 19 -3.698 -2.322 -3.143 147 HB3 ALA 19 2HB ALA 19 -3.128 -2.343 -4.817 148 H LEU 20 H LEU 20 -2.955 -0.080 -5.913 149 HA LEU 20 HA LEU 20 -1.443 1.582 -4.287 150 HB2 LEU 20 2HB LEU 20 -0.640 0.740 -6.406 151 HB3 LEU 20 3HB LEU 20 -1.907 1.537 -7.299 152 HG LEU 20 HG LEU 20 0.530 2.463 -7.408 153 HD11 LEU 20 1HD1 LEU 20 -1.736 4.410 -6.971 154 HD12 LEU 20 2HD1 LEU 20 -1.320 3.603 -8.482 155 HD13 LEU 20 3HD1 LEU 20 -0.198 4.760 -7.770 156 HD21 LEU 20 3HD2 LEU 20 -0.286 3.762 -4.792 157 HD22 LEU 20 1HD2 LEU 20 1.170 4.113 -5.724 158 HD23 LEU 20 2HD2 LEU 20 0.961 2.529 -4.984 159 H LYS 21 H LYS 21 -4.118 2.424 -6.498 160 HA LYS 21 HA LYS 21 -4.096 5.182 -6.209 161 HB2 LYS 21 2HB LYS 21 -5.386 3.957 -7.935 162 HB3 LYS 21 3HB LYS 21 -6.462 3.307 -6.715 163 HG2 LYS 21 2HG LYS 21 -6.266 6.291 -7.188 164 HG3 LYS 21 3HG LYS 21 -7.279 5.283 -8.211 165 HD2 LYS 21 2HD LYS 21 -7.571 5.631 -5.201 166 HD3 LYS 21 3HD LYS 21 -8.583 6.386 -6.428 167 HE2 LYS 21 2HE LYS 21 -8.348 3.384 -6.026 168 HE3 LYS 21 3HE LYS 21 -9.629 4.387 -5.349 169 HZ1 LYS 21 3HZ LYS 21 -10.305 4.976 -7.574 170 HZ2 LYS 21 1HZ LYS 21 -10.323 3.298 -7.371 171 HZ3 LYS 21 2HZ LYS 21 -9.071 4.035 -8.239 172 H GLU 22 H GLU 22 -5.698 2.681 -4.281 173 HA GLU 22 HA GLU 22 -7.004 4.385 -2.426 174 HB2 GLU 22 2HB GLU 22 -6.240 1.449 -2.349 175 HB3 GLU 22 3HB GLU 22 -7.101 2.227 -1.028 176 HG2 GLU 22 2HG GLU 22 -8.110 2.104 -3.881 177 HG3 GLU 22 3HG GLU 22 -8.569 0.974 -2.608 178 H MET 23 H MET 23 -3.788 2.730 -2.331 179 HA MET 23 HA MET 23 -3.196 3.490 0.353 180 HB2 MET 23 2HB MET 23 -1.284 2.687 -1.883 181 HB3 MET 23 3HB MET 23 -0.847 2.826 -0.181 182 HG2 MET 23 2HG MET 23 -2.793 0.855 -1.388 183 HG3 MET 23 3HG MET 23 -1.197 0.499 -0.742 184 HE1 MET 23 3HE MET 23 -1.763 0.946 3.104 185 HE2 MET 23 1HE MET 23 -1.150 2.171 1.995 186 HE3 MET 23 2HE MET 23 -0.620 0.495 1.838 187 H ILE 24 H ILE 24 -2.740 5.135 -2.721 188 HA ILE 24 HA ILE 24 -1.131 7.311 -1.786 189 HB ILE 24 HB ILE 24 -3.032 7.083 -4.182 190 HG12 ILE 24 2HG1 ILE 24 0.014 7.019 -3.944 191 HG13 ILE 24 3HG1 ILE 24 -1.039 5.708 -4.457 192 HG21 ILE 24 1HG2 ILE 24 -2.963 9.447 -3.501 193 HG22 ILE 24 2HG2 ILE 24 -2.123 9.217 -5.034 194 HG23 ILE 24 3HG2 ILE 24 -1.198 9.423 -3.545 195 HD11 ILE 24 3HD1 ILE 24 0.110 6.620 -6.352 196 HD12 ILE 24 1HD1 ILE 24 -0.463 8.246 -5.978 197 HD13 ILE 24 2HD1 ILE 24 -1.606 7.000 -6.485 198 H ARG 25 H ARG 25 -4.621 6.919 -2.361 199 HA ARG 25 HA ARG 25 -5.732 9.224 -1.351 200 HB2 ARG 25 2HB ARG 25 -7.077 7.545 -2.475 201 HB3 ARG 25 3HB ARG 25 -6.668 6.330 -1.281 202 HG2 ARG 25 2HG ARG 25 -8.025 7.641 0.401 203 HG3 ARG 25 3HG ARG 25 -8.543 8.683 -0.924 204 HD2 ARG 25 2HD ARG 25 -9.461 6.662 -2.091 205 HD3 ARG 25 3HD ARG 25 -9.023 5.696 -0.678 206 HE ARG 25 HE ARG 25 -10.656 7.839 0.152 207 HH11 ARG 25 1HH1 ARG 25 -10.925 4.828 -1.679 208 HH12 ARG 25 2HH1 ARG 25 -12.610 4.609 -1.302 209 HH21 ARG 25 1HH2 ARG 25 -12.891 7.539 0.609 210 HH22 ARG 25 2HH2 ARG 25 -13.712 6.138 -0.013 211 H GLN 26 H GLN 26 -4.673 6.344 0.439 212 HA GLN 26 HA GLN 26 -5.625 7.152 3.002 213 HB2 GLN 26 2HB GLN 26 -3.516 5.076 2.263 214 HB3 GLN 26 3HB GLN 26 -4.182 5.293 3.879 215 HG2 GLN 26 2HG GLN 26 -5.688 4.410 1.411 216 HG3 GLN 26 3HG GLN 26 -5.258 3.413 2.791 217 HE21 GLN 26 1HE2 GLN 26 -7.868 4.229 1.524 218 HE22 GLN 26 2HE2 GLN 26 -8.832 4.786 2.845 219 H ALA 27 H ALA 27 -2.324 7.090 1.589 220 HA ALA 27 HA ALA 27 -0.967 8.170 3.787 221 HB1 ALA 27 3HB ALA 27 0.867 8.613 2.236 222 HB2 ALA 27 1HB ALA 27 -0.227 8.404 0.861 223 HB3 ALA 27 2HB ALA 27 0.139 7.040 1.915 224 H ARG 28 H ARG 28 -2.751 9.799 1.219 225 HA ARG 28 HA ARG 28 -1.791 12.461 1.829 226 HB2 ARG 28 2HB ARG 28 -4.200 11.586 0.175 227 HB3 ARG 28 3HB ARG 28 -3.559 13.227 0.252 228 HG2 ARG 28 2HG ARG 28 -1.405 12.383 -0.710 229 HG3 ARG 28 3HG ARG 28 -2.140 10.792 -0.870 230 HD2 ARG 28 2HD ARG 28 -3.080 13.331 -2.239 231 HD3 ARG 28 3HD ARG 28 -2.197 12.001 -2.993 232 HE ARG 28 HE ARG 28 -4.702 11.250 -1.745 233 HH11 ARG 28 1HH1 ARG 28 -3.210 12.344 -4.748 234 HH12 ARG 28 2HH1 ARG 28 -4.487 11.725 -5.742 235 HH21 ARG 28 1HH2 ARG 28 -6.351 10.436 -3.068 236 HH22 ARG 28 2HH2 ARG 28 -6.266 10.647 -4.785 237 H LYS 29 H LYS 29 -4.743 10.580 2.610 238 HA LYS 29 HA LYS 29 -5.987 12.730 4.080 239 HB2 LYS 29 2HB LYS 29 -7.709 11.186 4.694 240 HB3 LYS 29 3HB LYS 29 -7.268 10.811 3.037 241 HG2 LYS 29 2HG LYS 29 -5.890 8.906 3.890 242 HG3 LYS 29 3HG LYS 29 -6.477 9.248 5.513 243 HD2 LYS 29 2HD LYS 29 -8.163 8.404 3.127 244 HD3 LYS 29 3HD LYS 29 -7.724 7.394 4.504 245 HE2 LYS 29 2HE LYS 29 -9.543 9.817 4.520 246 HE3 LYS 29 3HE LYS 29 -9.989 8.139 4.805 247 HZ1 LYS 29 3HZ LYS 29 -9.863 9.328 6.860 248 HZ2 LYS 29 1HZ LYS 29 -8.277 9.813 6.545 249 HZ3 LYS 29 2HZ LYS 29 -8.625 8.183 6.810 250 H PHE 30 H PHE 30 -3.542 10.436 4.792 251 HA PHE 30 HA PHE 30 -3.607 10.935 7.688 252 HB2 PHE 30 2HB PHE 30 -1.855 9.117 5.967 253 HB3 PHE 30 3HB PHE 30 -1.676 9.288 7.708 254 HD1 PHE 30 HD1 PHE 30 -4.531 9.254 8.615 255 HD2 PHE 30 HD2 PHE 30 -2.534 6.863 5.687 256 HE1 PHE 30 HE1 PHE 30 -6.121 7.417 9.004 257 HE2 PHE 30 HE2 PHE 30 -4.139 5.038 6.084 258 HZ PHE 30 HZ PHE 30 -5.925 5.314 7.746 259 H ALA 31 H ALA 31 -2.580 12.658 5.124 260 HA ALA 31 HA ALA 31 -1.199 14.415 4.772 261 HB1 ALA 31 3HB ALA 31 -0.732 15.865 6.702 262 HB2 ALA 31 1HB ALA 31 -1.170 14.559 7.806 263 HB3 ALA 31 2HB ALA 31 -2.390 15.265 6.743 264 H GLY 32 H GLY 32 0.093 11.969 4.631 265 HA2 GLY 32 2HA GLY 32 2.892 12.645 5.340 266 HA3 GLY 32 3HA GLY 32 2.274 11.004 5.190 267 H THR 33 H THR 33 4.196 10.937 3.710 268 HA THR 33 HA THR 33 3.743 11.996 0.986 269 HB THR 33 HB THR 33 6.243 10.863 2.361 270 HG1 THR 33 HG1 THR 33 5.413 13.495 1.669 271 HG21 THR 33 3HG2 THR 33 6.037 12.056 -0.434 272 HG22 THR 33 1HG2 THR 33 6.370 10.365 -0.052 273 HG23 THR 33 2HG2 THR 33 7.531 11.617 0.398 274 H VAL 34 H VAL 34 3.708 10.524 -0.806 275 HA VAL 34 HA VAL 34 4.041 7.653 -0.329 276 HB VAL 34 HB VAL 34 1.640 7.998 -0.040 277 HG11 VAL 34 1HG1 VAL 34 0.160 8.860 -1.798 278 HG12 VAL 34 2HG1 VAL 34 1.563 9.246 -2.797 279 HG13 VAL 34 3HG1 VAL 34 1.316 10.083 -1.264 280 HG21 VAL 34 3HG2 VAL 34 2.195 6.646 -2.704 281 HG22 VAL 34 1HG2 VAL 34 0.748 6.426 -1.714 282 HG23 VAL 34 2HG2 VAL 34 2.319 5.897 -1.110 283 H THR 35 H THR 35 5.027 6.654 -1.994 284 HA THR 35 HA THR 35 5.017 7.734 -4.737 285 HB THR 35 HB THR 35 7.593 6.855 -3.304 286 HG1 THR 35 HG1 THR 35 6.374 9.343 -3.539 287 HG21 THR 35 3HG2 THR 35 7.643 6.480 -5.765 288 HG22 THR 35 1HG2 THR 35 8.768 7.749 -5.277 289 HG23 THR 35 2HG2 THR 35 7.230 8.177 -6.026 290 H TYR 36 H TYR 36 5.586 5.931 -6.314 291 HA TYR 36 HA TYR 36 5.672 3.236 -5.155 292 HB2 TYR 36 2HB TYR 36 3.865 2.380 -6.583 293 HB3 TYR 36 3HB TYR 36 3.281 3.612 -5.476 294 HD1 TYR 36 HD2 TYR 36 2.805 5.962 -6.385 295 HD2 TYR 36 HD1 TYR 36 3.556 2.631 -8.971 296 HE1 TYR 36 HE2 TYR 36 1.751 7.165 -8.252 297 HE2 TYR 36 HE1 TYR 36 2.490 3.842 -10.824 298 HH TYR 36 HH TYR 36 0.838 5.677 -11.122 299 H THR 37 H THR 37 6.383 1.606 -6.492 300 HA THR 37 HA THR 37 7.499 2.310 -9.145 301 HB THR 37 HB THR 37 8.721 0.373 -7.108 302 HG1 THR 37 HG1 THR 37 9.862 1.994 -6.407 303 HG21 THR 37 3HG2 THR 37 9.239 -0.266 -9.439 304 HG22 THR 37 1HG2 THR 37 10.680 0.345 -8.625 305 HG23 THR 37 2HG2 THR 37 9.818 1.368 -9.775 306 H LEU 38 H LEU 38 5.902 1.368 -10.449 307 HA LEU 38 HA LEU 38 5.018 -1.373 -10.057 308 HB2 LEU 38 2HB LEU 38 4.929 0.428 -12.529 309 HB3 LEU 38 3HB LEU 38 4.201 -1.168 -12.442 310 HG LEU 38 HG LEU 38 3.356 1.247 -10.794 311 HD11 LEU 38 1HD1 LEU 38 2.727 1.508 -13.135 312 HD12 LEU 38 2HD1 LEU 38 1.301 1.200 -12.150 313 HD13 LEU 38 3HD1 LEU 38 1.974 -0.092 -13.145 314 HD21 LEU 38 3HD2 LEU 38 1.474 -0.115 -10.030 315 HD22 LEU 38 1HD2 LEU 38 3.010 -0.835 -9.546 316 HD23 LEU 38 2HD2 LEU 38 2.106 -1.513 -10.904 317 H ASP 39 H ASP 39 6.500 -2.954 -10.187 318 HA ASP 39 HA ASP 39 8.555 -2.970 -12.309 319 HB2 ASP 39 2HB ASP 39 9.634 -2.067 -10.256 320 HB3 ASP 39 3HB ASP 39 9.089 -3.463 -9.339 321 H GLY 40 H GLY 40 7.600 -4.575 -13.419 322 HA2 GLY 40 2HA GLY 40 6.901 -6.642 -14.049 323 HA3 GLY 40 3HA GLY 40 7.696 -7.283 -12.618 324 H ASN 41 H ASN 41 6.417 -8.126 -11.123 325 HA ASN 41 HA ASN 41 3.536 -7.450 -11.030 326 HB2 ASN 41 2HB ASN 41 5.001 -9.996 -10.201 327 HB3 ASN 41 3HB ASN 41 3.292 -9.685 -9.879 328 HD21 ASN 41 1HD2 ASN 41 1.827 -9.623 -11.652 329 HD22 ASN 41 2HD2 ASN 41 2.231 -10.312 -13.185 330 H ASP 42 H ASP 42 6.236 -6.492 -9.545 331 HA ASP 42 HA ASP 42 5.126 -6.404 -6.822 332 HB2 ASP 42 2HB ASP 42 7.836 -5.596 -7.951 333 HB3 ASP 42 3HB ASP 42 7.332 -5.151 -6.325 334 H LEU 43 H LEU 43 4.418 -4.613 -5.928 335 HA LEU 43 HA LEU 43 4.591 -1.980 -7.262 336 HB2 LEU 43 2HB LEU 43 2.297 -2.760 -7.343 337 HB3 LEU 43 3HB LEU 43 2.369 -3.353 -5.693 338 HG LEU 43 HG LEU 43 2.506 -0.962 -4.898 339 HD11 LEU 43 1HD1 LEU 43 1.849 0.855 -6.375 340 HD12 LEU 43 2HD1 LEU 43 1.838 -0.243 -7.755 341 HD13 LEU 43 3HD1 LEU 43 3.351 0.109 -6.918 342 HD21 LEU 43 3HD2 LEU 43 0.032 -1.695 -6.481 343 HD22 LEU 43 1HD2 LEU 43 0.118 -0.537 -5.151 344 HD23 LEU 43 2HD2 LEU 43 0.422 -2.246 -4.850 345 H GLU 44 H GLU 44 6.311 -1.119 -6.136 346 HA GLU 44 HA GLU 44 6.648 -1.549 -3.247 347 HB2 GLU 44 2HB GLU 44 8.624 -1.820 -4.685 348 HB3 GLU 44 3HB GLU 44 8.391 -0.227 -5.392 349 HG2 GLU 44 2HG GLU 44 8.768 0.710 -3.032 350 HG3 GLU 44 3HG GLU 44 9.303 -0.904 -2.578 351 H ILE 45 H ILE 45 5.178 -0.235 -2.220 352 HA ILE 45 HA ILE 45 4.913 2.624 -2.945 353 HB ILE 45 HB ILE 45 3.288 0.967 -0.932 354 HG12 ILE 45 2HG1 ILE 45 2.526 1.810 -3.772 355 HG13 ILE 45 3HG1 ILE 45 2.995 0.184 -3.293 356 HG21 ILE 45 1HG2 ILE 45 3.284 3.379 -0.405 357 HG22 ILE 45 2HG2 ILE 45 1.693 2.853 -0.953 358 HG23 ILE 45 3HG2 ILE 45 2.749 3.752 -2.046 359 HD11 ILE 45 3HD1 ILE 45 0.608 0.368 -3.519 360 HD12 ILE 45 1HD1 ILE 45 0.560 1.665 -2.327 361 HD13 ILE 45 2HD1 ILE 45 1.043 0.035 -1.845 362 H ARG 46 H ARG 46 6.060 4.092 -1.754 363 HA ARG 46 HA ARG 46 7.160 3.331 0.889 364 HB2 ARG 46 2HB ARG 46 8.154 5.495 -1.025 365 HB3 ARG 46 3HB ARG 46 8.937 4.964 0.460 366 HG2 ARG 46 2HG ARG 46 9.355 2.742 -0.565 367 HG3 ARG 46 3HG ARG 46 8.584 3.300 -2.052 368 HD2 ARG 46 2HD ARG 46 10.307 5.095 -2.229 369 HD3 ARG 46 3HD ARG 46 11.108 4.429 -0.802 370 HE ARG 46 HE ARG 46 10.763 2.466 -2.858 371 HH11 ARG 46 1HH1 ARG 46 12.802 5.186 -1.931 372 HH12 ARG 46 2HH1 ARG 46 14.176 4.613 -2.824 373 HH21 ARG 46 1HH2 ARG 46 12.567 1.720 -4.023 374 HH22 ARG 46 2HH2 ARG 46 14.041 2.644 -4.012 375 H ILE 47 H ILE 47 5.740 4.091 2.368 376 HA ILE 47 HA ILE 47 4.626 6.810 2.076 377 HB ILE 47 HB ILE 47 3.587 4.466 3.736 378 HG12 ILE 47 2HG1 ILE 47 2.541 5.850 1.217 379 HG13 ILE 47 3HG1 ILE 47 3.142 4.204 1.334 380 HG21 ILE 47 1HG2 ILE 47 1.669 5.926 4.329 381 HG22 ILE 47 2HG2 ILE 47 2.447 7.277 3.501 382 HG23 ILE 47 3HG2 ILE 47 3.192 6.581 4.941 383 HD11 ILE 47 3HD1 ILE 47 0.765 4.200 1.125 384 HD12 ILE 47 1HD1 ILE 47 0.586 5.274 2.512 385 HD13 ILE 47 2HD1 ILE 47 1.199 3.635 2.735 386 H THR 48 H THR 48 5.753 8.270 3.105 387 HA THR 48 HA THR 48 7.339 7.611 5.511 388 HB THR 48 HB THR 48 8.129 9.340 3.113 389 HG1 THR 48 HG1 THR 48 9.065 7.585 2.422 390 HG21 THR 48 3HG2 THR 48 9.754 8.698 5.609 391 HG22 THR 48 1HG2 THR 48 9.106 10.284 5.185 392 HG23 THR 48 2HG2 THR 48 10.356 9.542 4.182 393 H GLY 49 H GLY 49 7.383 9.148 7.130 394 HA2 GLY 49 2HA GLY 49 7.013 11.170 8.217 395 HA3 GLY 49 3HA GLY 49 6.333 11.842 6.746 396 H VAL 50 H VAL 50 5.060 8.814 7.736 397 HA VAL 50 HA VAL 50 2.699 10.051 9.007 398 HB VAL 50 HB VAL 50 1.623 7.783 8.746 399 HG11 VAL 50 1HG1 VAL 50 2.560 9.059 6.152 400 HG12 VAL 50 2HG1 VAL 50 1.171 9.556 7.119 401 HG13 VAL 50 3HG1 VAL 50 1.170 7.981 6.326 402 HG21 VAL 50 3HG2 VAL 50 2.611 6.104 7.216 403 HG22 VAL 50 1HG2 VAL 50 3.629 6.361 8.635 404 HG23 VAL 50 2HG2 VAL 50 4.078 7.078 7.088 405 HA PRO 51 HA PRO 51 4.202 8.937 13.172 406 HB2 PRO 51 2HB PRO 51 1.232 8.375 13.488 407 HB3 PRO 51 3HB PRO 51 2.341 9.226 14.593 408 HG2 PRO 51 2HG PRO 51 0.690 10.593 13.040 409 HG3 PRO 51 3HG PRO 51 2.353 11.166 13.309 410 HD2 PRO 51 2HD PRO 51 1.165 9.908 10.864 411 HD3 PRO 51 3HD PRO 51 2.489 11.082 10.998 412 H GLU 52 H GLU 52 4.297 7.129 14.597 413 HA GLU 52 HA GLU 52 4.652 4.634 13.387 414 HB2 GLU 52 2HB GLU 52 5.780 5.421 15.492 415 HB3 GLU 52 3HB GLU 52 4.267 5.203 16.361 416 HG2 GLU 52 2HG GLU 52 5.691 3.329 16.835 417 HG3 GLU 52 3HG GLU 52 4.373 2.760 15.815 418 H GLN 53 H GLN 53 1.903 5.947 15.246 419 HA GLN 53 HA GLN 53 0.331 3.568 15.364 420 HB2 GLN 53 2HB GLN 53 -1.579 5.052 15.890 421 HB3 GLN 53 3HB GLN 53 -0.157 5.474 16.835 422 HG2 GLN 53 2HG GLN 53 0.231 7.462 15.586 423 HG3 GLN 53 3HG GLN 53 -0.860 6.956 14.294 424 HE21 GLN 53 1HE2 GLN 53 -3.103 7.170 14.581 425 HE22 GLN 53 2HE2 GLN 53 -3.774 8.165 15.828 426 H VAL 54 H VAL 54 0.671 6.107 12.969 427 HA VAL 54 HA VAL 54 -1.673 5.441 11.462 428 HB VAL 54 HB VAL 54 0.667 7.287 10.821 429 HG11 VAL 54 1HG1 VAL 54 -0.796 8.265 9.077 430 HG12 VAL 54 2HG1 VAL 54 -1.977 6.983 9.357 431 HG13 VAL 54 3HG1 VAL 54 -0.377 6.588 8.730 432 HG21 VAL 54 3HG2 VAL 54 -2.141 7.893 11.830 433 HG22 VAL 54 1HG2 VAL 54 -0.930 9.100 11.387 434 HG23 VAL 54 2HG2 VAL 54 -0.645 8.027 12.757 435 H ARG 55 H ARG 55 1.778 4.661 11.230 436 HA ARG 55 HA ARG 55 1.923 3.336 8.778 437 HB2 ARG 55 2HB ARG 55 3.252 2.633 11.423 438 HB3 ARG 55 3HB ARG 55 3.682 1.894 9.886 439 HG2 ARG 55 2HG ARG 55 4.456 4.046 9.031 440 HG3 ARG 55 3HG ARG 55 3.983 4.835 10.543 441 HD2 ARG 55 2HD ARG 55 5.570 3.452 11.794 442 HD3 ARG 55 3HD ARG 55 6.005 2.575 10.324 443 HE ARG 55 HE ARG 55 6.606 5.118 9.664 444 HH11 ARG 55 1HH1 ARG 55 7.423 3.144 12.479 445 HH12 ARG 55 2HH1 ARG 55 8.949 3.930 12.720 446 HH21 ARG 55 1HH2 ARG 55 8.617 6.084 9.964 447 HH22 ARG 55 2HH2 ARG 55 9.628 5.604 11.288 448 H LYS 56 H LYS 56 0.825 2.183 11.950 449 HA LYS 56 HA LYS 56 0.346 -0.517 11.287 450 HB2 LYS 56 2HB LYS 56 -1.324 0.987 13.340 451 HB3 LYS 56 3HB LYS 56 -0.867 -0.709 13.348 452 HG2 LYS 56 2HG LYS 56 0.910 1.667 13.893 453 HG3 LYS 56 3HG LYS 56 0.375 0.461 15.059 454 HD2 LYS 56 2HD LYS 56 1.761 -1.251 13.983 455 HD3 LYS 56 3HD LYS 56 2.188 -0.132 12.681 456 HE2 LYS 56 2HE LYS 56 3.257 1.359 14.411 457 HE3 LYS 56 3HE LYS 56 2.969 0.096 15.608 458 HZ1 LYS 56 3HZ LYS 56 5.232 0.208 14.465 459 HZ2 LYS 56 1HZ LYS 56 4.462 -0.473 13.126 460 HZ3 LYS 56 2HZ LYS 56 4.494 -1.308 14.598 461 H GLU 57 H GLU 57 -1.709 2.373 11.083 462 HA GLU 57 HA GLU 57 -4.121 1.135 10.252 463 HB2 GLU 57 2HB GLU 57 -3.100 3.967 9.683 464 HB3 GLU 57 3HB GLU 57 -4.764 3.428 9.456 465 HG2 GLU 57 2HG GLU 57 -5.009 3.021 11.857 466 HG3 GLU 57 3HG GLU 57 -3.309 3.408 12.112 467 H LEU 58 H LEU 58 -1.375 2.499 8.390 468 HA LEU 58 HA LEU 58 -2.313 1.913 5.788 469 HB2 LEU 58 2HB LEU 58 0.443 2.441 6.920 470 HB3 LEU 58 3HB LEU 58 0.302 1.842 5.285 471 HG LEU 58 HG LEU 58 0.512 4.128 4.957 472 HD11 LEU 58 1HD1 LEU 58 -1.371 3.341 3.662 473 HD12 LEU 58 2HD1 LEU 58 -1.610 5.018 4.135 474 HD13 LEU 58 3HD1 LEU 58 -2.489 3.736 4.972 475 HD21 LEU 58 3HD2 LEU 58 -1.374 4.720 7.243 476 HD22 LEU 58 1HD2 LEU 58 -0.577 5.912 6.210 477 HD23 LEU 58 2HD2 LEU 58 0.384 4.875 7.261 478 H ALA 59 H ALA 59 -0.688 -0.109 8.176 479 HA ALA 59 HA ALA 59 -0.135 -2.340 6.525 480 HB1 ALA 59 3HB ALA 59 0.873 -2.058 8.743 481 HB2 ALA 59 1HB ALA 59 0.034 -3.604 8.631 482 HB3 ALA 59 2HB ALA 59 -0.700 -2.262 9.511 483 H LYS 60 H LYS 60 -2.993 -1.445 8.476 484 HA LYS 60 HA LYS 60 -4.493 -3.808 7.871 485 HB2 LYS 60 2HB LYS 60 -5.221 -1.133 9.096 486 HB3 LYS 60 3HB LYS 60 -6.495 -2.255 8.634 487 HG2 LYS 60 2HG LYS 60 -6.056 -2.541 10.988 488 HG3 LYS 60 3HG LYS 60 -5.476 -3.979 10.148 489 HD2 LYS 60 2HD LYS 60 -3.152 -2.963 10.224 490 HD3 LYS 60 3HD LYS 60 -3.815 -1.687 11.245 491 HE2 LYS 60 2HE LYS 60 -2.747 -3.334 12.642 492 HE3 LYS 60 3HE LYS 60 -4.489 -3.435 12.901 493 HZ1 LYS 60 3HZ LYS 60 -3.338 -5.612 12.667 494 HZ2 LYS 60 1HZ LYS 60 -2.982 -5.216 11.061 495 HZ3 LYS 60 2HZ LYS 60 -4.591 -5.388 11.558 496 H GLU 61 H GLU 61 -4.032 -0.718 6.241 497 HA GLU 61 HA GLU 61 -6.134 -1.024 4.322 498 HB2 GLU 61 2HB GLU 61 -3.569 0.625 4.139 499 HB3 GLU 61 3HB GLU 61 -4.942 0.760 3.045 500 HG2 GLU 61 2HG GLU 61 -4.836 1.487 5.971 501 HG3 GLU 61 3HG GLU 61 -5.070 2.571 4.604 502 H ALA 62 H ALA 62 -2.672 -1.740 4.367 503 HA ALA 62 HA ALA 62 -2.269 -2.794 1.844 504 HB1 ALA 62 3HB ALA 62 -0.973 -3.715 4.438 505 HB2 ALA 62 1HB ALA 62 -0.503 -2.286 3.518 506 HB3 ALA 62 2HB ALA 62 -0.311 -3.885 2.813 507 H GLU 63 H GLU 63 -3.274 -4.463 4.814 508 HA GLU 63 HA GLU 63 -3.495 -7.088 3.792 509 HB2 GLU 63 2HB GLU 63 -4.801 -5.771 6.208 510 HB3 GLU 63 3HB GLU 63 -4.796 -7.506 5.911 511 HG2 GLU 63 2HG GLU 63 -2.366 -7.591 6.144 512 HG3 GLU 63 3HG GLU 63 -2.294 -5.834 6.292 513 H ARG 64 H ARG 64 -5.942 -4.484 4.156 514 HA ARG 64 HA ARG 64 -8.167 -6.190 3.546 515 HB2 ARG 64 2HB ARG 64 -9.567 -4.296 3.830 516 HB3 ARG 64 3HB ARG 64 -8.242 -4.047 4.956 517 HG2 ARG 64 2HG ARG 64 -7.200 -2.535 3.149 518 HG3 ARG 64 3HG ARG 64 -8.767 -2.617 2.346 519 HD2 ARG 64 2HD ARG 64 -8.244 -1.556 5.141 520 HD3 ARG 64 3HD ARG 64 -8.574 -0.589 3.705 521 HE ARG 64 HE ARG 64 -10.725 -2.350 4.102 522 HH11 ARG 64 1HH1 ARG 64 -9.279 0.474 5.654 523 HH12 ARG 64 2HH1 ARG 64 -10.781 1.001 6.360 524 HH21 ARG 64 1HH2 ARG 64 -12.686 -1.653 5.051 525 HH22 ARG 64 2HH2 ARG 64 -12.710 -0.208 6.011 526 H LEU 65 H LEU 65 -6.081 -4.088 1.648 527 HA LEU 65 HA LEU 65 -7.633 -4.255 -0.800 528 HB2 LEU 65 2HB LEU 65 -4.785 -3.313 -0.277 529 HB3 LEU 65 3HB LEU 65 -5.604 -3.177 -1.827 530 HG LEU 65 HG LEU 65 -6.542 -1.818 0.728 531 HD11 LEU 65 1HD1 LEU 65 -4.407 -0.895 0.015 532 HD12 LEU 65 2HD1 LEU 65 -5.702 0.266 -0.250 533 HD13 LEU 65 3HD1 LEU 65 -5.031 -0.630 -1.615 534 HD21 LEU 65 3HD2 LEU 65 -8.389 -2.250 -0.813 535 HD22 LEU 65 1HD2 LEU 65 -7.505 -1.474 -2.131 536 HD23 LEU 65 2HD2 LEU 65 -8.034 -0.528 -0.737 537 H ALA 66 H ALA 66 -4.997 -5.983 0.715 538 HA ALA 66 HA ALA 66 -4.131 -7.578 -1.426 539 HB1 ALA 66 3HB ALA 66 -3.233 -9.090 0.278 540 HB2 ALA 66 1HB ALA 66 -4.222 -8.311 1.519 541 HB3 ALA 66 2HB ALA 66 -2.929 -7.411 0.726 542 H LYS 67 H LYS 67 -6.696 -8.172 0.992 543 HA LYS 67 HA LYS 67 -7.506 -10.655 -0.280 544 HB2 LYS 67 2HB LYS 67 -9.133 -10.849 1.527 545 HB3 LYS 67 3HB LYS 67 -7.551 -10.443 2.172 546 HG2 LYS 67 2HG LYS 67 -8.308 -8.054 2.375 547 HG3 LYS 67 3HG LYS 67 -9.921 -8.568 1.882 548 HD2 LYS 67 2HD LYS 67 -8.428 -9.536 4.355 549 HD3 LYS 67 3HD LYS 67 -9.769 -8.393 4.343 550 HE2 LYS 67 2HE LYS 67 -11.318 -10.104 3.613 551 HE3 LYS 67 3HE LYS 67 -10.006 -11.251 3.331 552 HZ1 LYS 67 3HZ LYS 67 -10.787 -10.153 5.983 553 HZ2 LYS 67 1HZ LYS 67 -9.562 -11.285 5.705 554 HZ3 LYS 67 2HZ LYS 67 -11.175 -11.693 5.412 555 H GLU 68 H GLU 68 -8.335 -7.330 -0.611 556 HA GLU 68 HA GLU 68 -10.993 -7.646 -1.645 557 HB2 GLU 68 2HB GLU 68 -10.152 -5.490 -0.719 558 HB3 GLU 68 3HB GLU 68 -9.016 -5.354 -2.054 559 HG2 GLU 68 2HG GLU 68 -10.976 -3.911 -2.384 560 HG3 GLU 68 3HG GLU 68 -10.866 -5.139 -3.640 561 H PHE 69 H PHE 69 -7.822 -7.047 -3.163 562 HA PHE 69 HA PHE 69 -8.894 -7.593 -5.847 563 HB2 PHE 69 2HB PHE 69 -6.193 -6.482 -4.961 564 HB3 PHE 69 3HB PHE 69 -6.743 -6.623 -6.627 565 HD1 PHE 69 HD1 PHE 69 -8.999 -5.405 -7.214 566 HD2 PHE 69 HD2 PHE 69 -6.580 -4.451 -3.816 567 HE1 PHE 69 HE1 PHE 69 -10.075 -3.200 -7.053 568 HE2 PHE 69 HE2 PHE 69 -7.666 -2.246 -3.670 569 HZ PHE 69 HZ PHE 69 -9.412 -1.627 -5.284 570 H ASN 70 H ASN 70 -7.775 -9.518 -3.507 571 HA ASN 70 HA ASN 70 -6.950 -11.621 -3.353 572 HB2 ASN 70 2HB ASN 70 -8.679 -11.990 -5.170 573 HB3 ASN 70 3HB ASN 70 -7.415 -11.779 -6.373 574 HD21 ASN 70 1HD2 ASN 70 -7.395 -13.802 -7.251 575 HD22 ASN 70 2HD2 ASN 70 -7.054 -15.249 -6.372 576 H ILE 71 H ILE 71 -5.139 -9.427 -3.762 577 HA ILE 71 HA ILE 71 -2.799 -10.632 -5.131 578 HB ILE 71 HB ILE 71 -1.820 -8.319 -5.055 579 HG12 ILE 71 2HG1 ILE 71 -4.572 -7.514 -3.982 580 HG13 ILE 71 3HG1 ILE 71 -3.041 -7.367 -3.134 581 HG21 ILE 71 1HG2 ILE 71 -3.196 -7.377 -6.870 582 HG22 ILE 71 2HG2 ILE 71 -4.514 -8.477 -6.463 583 HG23 ILE 71 3HG2 ILE 71 -2.989 -9.118 -7.079 584 HD11 ILE 71 3HD1 ILE 71 -3.784 -5.219 -3.923 585 HD12 ILE 71 1HD1 ILE 71 -3.876 -5.814 -5.581 586 HD13 ILE 71 2HD1 ILE 71 -2.313 -5.684 -4.773 587 H THR 72 H THR 72 -0.839 -10.857 -3.966 588 HA THR 72 HA THR 72 -1.089 -11.177 -1.085 589 HB THR 72 HB THR 72 1.354 -11.908 -1.234 590 HG1 THR 72 HG1 THR 72 0.903 -11.370 -3.979 591 HG21 THR 72 3HG2 THR 72 0.919 -14.050 -2.360 592 HG22 THR 72 1HG2 THR 72 -0.537 -13.383 -3.103 593 HG23 THR 72 2HG2 THR 72 -0.454 -13.592 -1.352 594 H VAL 73 H VAL 73 0.352 -10.121 0.464 595 HA VAL 73 HA VAL 73 1.710 -7.663 -0.442 596 HB VAL 73 HB VAL 73 -0.597 -7.040 0.345 597 HG11 VAL 73 1HG1 VAL 73 -1.178 -7.099 2.738 598 HG12 VAL 73 2HG1 VAL 73 0.312 -7.977 3.090 599 HG13 VAL 73 3HG1 VAL 73 -0.937 -8.726 2.095 600 HG21 VAL 73 3HG2 VAL 73 1.272 -5.422 0.418 601 HG22 VAL 73 1HG2 VAL 73 1.634 -5.909 2.076 602 HG23 VAL 73 2HG2 VAL 73 0.098 -5.130 1.695 603 H THR 74 H THR 74 3.434 -7.082 0.736 604 HA THR 74 HA THR 74 4.101 -8.317 3.294 605 HB THR 74 HB THR 74 5.361 -9.676 1.708 606 HG1 THR 74 HG1 THR 74 7.567 -8.980 2.345 607 HG21 THR 74 3HG2 THR 74 5.360 -8.191 -0.264 608 HG22 THR 74 1HG2 THR 74 6.989 -8.761 0.103 609 HG23 THR 74 2HG2 THR 74 6.512 -7.119 0.534 610 H TYR 75 H TYR 75 4.772 -6.738 4.673 611 HA TYR 75 HA TYR 75 5.593 -4.112 3.656 612 HB2 TYR 75 2HB TYR 75 3.966 -2.943 5.180 613 HB3 TYR 75 3HB TYR 75 3.196 -3.795 3.850 614 HD1 TYR 75 HD1 TYR 75 3.869 -3.968 7.536 615 HD2 TYR 75 HD2 TYR 75 1.538 -5.490 4.285 616 HE1 TYR 75 HE1 TYR 75 2.368 -5.088 9.126 617 HE2 TYR 75 HE2 TYR 75 0.046 -6.611 5.885 618 HH TYR 75 HH TYR 75 -0.059 -5.882 9.114 619 H THR 76 H THR 76 6.673 -2.812 5.221 620 HA THR 76 HA THR 76 7.875 -4.377 7.431 621 HB THR 76 HB THR 76 9.057 -2.022 5.875 622 HG1 THR 76 HG1 THR 76 8.785 -3.929 4.588 623 HG21 THR 76 3HG2 THR 76 10.048 -2.295 8.148 624 HG22 THR 76 1HG2 THR 76 11.209 -2.701 6.883 625 HG23 THR 76 2HG2 THR 76 10.405 -3.986 7.786 626 H ILE 77 H ILE 77 7.164 -3.736 9.380 627 HA ILE 77 HA ILE 77 7.417 -0.965 10.201 628 HB ILE 77 HB ILE 77 5.247 -1.110 11.614 629 HG12 ILE 77 2HG1 ILE 77 4.497 -3.228 9.544 630 HG13 ILE 77 3HG1 ILE 77 4.761 -3.509 11.259 631 HG21 ILE 77 1HG2 ILE 77 3.818 -0.149 9.886 632 HG22 ILE 77 2HG2 ILE 77 4.902 -0.759 8.634 633 HG23 ILE 77 3HG2 ILE 77 5.470 0.466 9.768 634 HD11 ILE 77 3HD1 ILE 77 2.829 -2.100 11.783 635 HD12 ILE 77 1HD1 ILE 77 2.408 -3.472 10.760 636 HD13 ILE 77 2HD1 ILE 77 2.541 -1.860 10.057 637 H ARG 78 H ARG 78 8.132 -0.808 12.250 638 HA ARG 78 HA ARG 78 8.236 -3.215 13.980 639 HB2 ARG 78 2HB ARG 78 10.306 -0.979 13.728 640 HB3 ARG 78 3HB ARG 78 10.376 -2.317 14.868 641 HG2 ARG 78 2HG ARG 78 10.654 -3.918 13.043 642 HG3 ARG 78 3HG ARG 78 10.471 -2.630 11.850 643 HD2 ARG 78 2HD ARG 78 12.527 -1.543 12.762 644 HD3 ARG 78 3HD ARG 78 12.723 -2.904 13.872 645 HE ARG 78 HE ARG 78 12.776 -4.285 11.688 646 HH11 ARG 78 1HH1 ARG 78 14.141 -1.061 12.044 647 HH12 ARG 78 2HH1 ARG 78 15.360 -1.315 10.835 648 HH21 ARG 78 1HH2 ARG 78 14.391 -4.608 10.105 649 HH22 ARG 78 2HH2 ARG 78 15.499 -3.325 9.735 650 H GLY 79 H GLY 79 8.677 -2.409 16.338 651 HA2 GLY 79 2HA GLY 79 7.993 0.004 17.415 652 HA3 GLY 79 3HA GLY 79 6.434 -0.753 17.088 653 H SER 80 H SER 80 7.376 -3.468 17.549 654 HA SER 80 HA SER 80 7.193 -3.727 20.386 655 HB2 SER 80 2HB SER 80 7.994 -5.795 18.280 656 HB3 SER 80 3HB SER 80 7.523 -6.156 19.944 657 HG SER 80 HG SER 80 5.952 -5.736 17.785 658 H LEU 81 H LEU 81 9.773 -2.789 18.504 659 HA LEU 81 HA LEU 81 12.089 -3.884 19.499 660 HB2 LEU 81 2HB LEU 81 11.602 -0.943 18.898 661 HB3 LEU 81 3HB LEU 81 13.174 -1.717 18.979 662 HG LEU 81 HG LEU 81 11.034 -2.227 16.878 663 HD11 LEU 81 1HD1 LEU 81 12.602 -1.196 15.306 664 HD12 LEU 81 2HD1 LEU 81 13.741 -0.878 16.615 665 HD13 LEU 81 3HD1 LEU 81 12.170 -0.073 16.594 666 HD21 LEU 81 3HD2 LEU 81 12.229 -4.311 17.327 667 HD22 LEU 81 1HD2 LEU 81 13.784 -3.500 17.116 668 HD23 LEU 81 2HD2 LEU 81 12.680 -3.672 15.749 669 H GLU 82 H GLU 82 9.996 -1.492 21.040 670 HA GLU 82 HA GLU 82 11.552 -1.119 23.399 671 HB2 GLU 82 2HB GLU 82 9.408 -0.209 24.360 672 HB3 GLU 82 3HB GLU 82 9.847 0.508 22.817 673 HG2 GLU 82 2HG GLU 82 8.202 -1.060 21.716 674 HG3 GLU 82 3HG GLU 82 7.697 -1.554 23.327 675 H HIS 83 H HIS 83 12.165 -2.851 24.559 676 HA HIS 83 HA HIS 83 10.187 -4.751 25.592 677 HB2 HIS 83 2HB HIS 83 10.991 -5.714 23.409 678 HB3 HIS 83 3HB HIS 83 12.636 -5.702 24.031 679 HD1 HIS 83 HD1 HIS 83 13.359 -7.893 24.945 680 HD2 HIS 83 HD2 HIS 83 9.240 -7.409 25.217 681 HE1 HIS 83 HE1 HIS 83 12.495 -10.001 26.011 682 HE2 HIS 83 HE2 HIS 83 10.011 -9.687 26.149 683 H HIS 84 H HIS 84 11.903 -2.595 26.646 684 HA HIS 84 HA HIS 84 13.458 -4.115 28.657 685 HB2 HIS 84 2HB HIS 84 14.781 -2.332 27.638 686 HB3 HIS 84 3HB HIS 84 13.515 -1.149 27.940 687 HD1 HIS 84 HD1 HIS 84 13.841 0.225 29.969 688 HD2 HIS 84 HD2 HIS 84 15.884 -3.383 30.256 689 HE1 HIS 84 HE1 HIS 84 15.077 0.328 32.141 690 HE2 HIS 84 HE2 HIS 84 16.481 -1.756 32.172 691 H HIS 85 H HIS 85 11.390 -4.877 29.475 692 HA HIS 85 HA HIS 85 9.792 -3.084 31.106 693 HB2 HIS 85 2HB HIS 85 8.847 -5.186 30.117 694 HB3 HIS 85 3HB HIS 85 9.945 -6.143 31.102 695 HD1 HIS 85 HD1 HIS 85 6.860 -4.003 31.339 696 HD2 HIS 85 HD2 HIS 85 9.110 -6.507 33.777 697 HE1 HIS 85 HE1 HIS 85 5.473 -4.374 33.391 698 HE2 HIS 85 HE2 HIS 85 6.782 -6.002 34.777 699 H HIS 86 H HIS 86 9.806 -3.108 33.435 700 HA HIS 86 HA HIS 86 12.113 -4.249 34.828 701 HB2 HIS 86 2HB HIS 86 12.809 -2.053 35.759 702 HB3 HIS 86 3HB HIS 86 12.972 -2.087 34.007 703 HD1 HIS 86 HD1 HIS 86 11.419 -0.522 32.636 704 HD2 HIS 86 HD2 HIS 86 10.893 -0.230 36.750 705 HE1 HIS 86 HE1 HIS 86 10.037 1.539 33.000 706 HE2 HIS 86 HE2 HIS 86 9.610 1.611 35.470 707 H HIS 87 H HIS 87 11.986 -3.679 37.220 708 HA HIS 87 HA HIS 87 9.614 -2.814 38.480 709 HB2 HIS 87 2HB HIS 87 8.729 -4.930 39.389 710 HB3 HIS 87 3HB HIS 87 8.679 -4.970 37.631 711 HD1 HIS 87 HD1 HIS 87 10.226 -6.639 40.578 712 HD2 HIS 87 HD2 HIS 87 10.457 -6.831 36.438 713 HE1 HIS 87 HE1 HIS 87 11.406 -8.788 40.068 714 HE2 HIS 87 HE2 HIS 87 11.373 -8.967 37.560 715 H HIS 88 H HIS 88 9.649 -3.711 40.903 716 HA HIS 88 HA HIS 88 12.450 -3.772 41.859 717 HB2 HIS 88 2HB HIS 88 11.633 -2.584 43.927 718 HB3 HIS 88 3HB HIS 88 11.501 -1.619 42.465 719 HD1 HIS 88 HD1 HIS 88 9.512 -3.040 45.235 720 HD2 HIS 88 HD2 HIS 88 8.779 -1.184 41.596 721 HE1 HIS 88 HE1 HIS 88 7.108 -2.325 45.315 722 HE2 HIS 88 HE2 HIS 88 6.732 -1.074 43.162 Start of MODEL 6 1 H1 MET 1 1H MET 1 10.613 10.428 13.353 2 H2 MET 1 2H MET 1 9.153 9.596 13.155 3 H3 MET 1 3H MET 1 9.509 10.925 12.174 4 HA MET 1 HA MET 1 11.320 9.774 11.144 5 HB2 MET 1 2HB MET 1 10.450 7.406 12.865 6 HB3 MET 1 3HB MET 1 11.674 7.347 11.602 7 HG2 MET 1 2HG MET 1 12.736 7.399 13.771 8 HG3 MET 1 3HG MET 1 13.076 8.908 12.924 9 HE1 MET 1 3HE MET 1 13.458 8.388 16.131 10 HE2 MET 1 1HE MET 1 12.862 9.921 16.760 11 HE3 MET 1 2HE MET 1 13.898 9.899 15.333 12 H GLY 2 H GLY 2 8.748 7.447 11.987 13 HA2 GLY 2 2HA GLY 2 6.770 6.866 11.047 14 HA3 GLY 2 3HA GLY 2 6.709 8.500 10.423 15 H GLU 3 H GLU 3 9.007 5.927 9.575 16 HA GLU 3 HA GLU 3 7.990 5.994 6.795 17 HB2 GLU 3 2HB GLU 3 10.175 5.196 6.035 18 HB3 GLU 3 3HB GLU 3 10.332 6.693 6.931 19 HG2 GLU 3 2HG GLU 3 10.935 3.960 8.079 20 HG3 GLU 3 3HG GLU 3 12.143 5.003 7.336 21 H MET 4 H MET 4 7.083 4.279 5.982 22 HA MET 4 HA MET 4 7.427 1.579 7.140 23 HB2 MET 4 2HB MET 4 5.227 2.499 7.839 24 HB3 MET 4 3HB MET 4 4.834 2.897 6.171 25 HG2 MET 4 2HG MET 4 4.781 0.528 5.595 26 HG3 MET 4 3HG MET 4 5.263 0.099 7.241 27 HE1 MET 4 3HE MET 4 2.772 -1.296 6.048 28 HE2 MET 4 1HE MET 4 1.592 -1.089 7.339 29 HE3 MET 4 2HE MET 4 3.262 -1.478 7.735 30 H ASP 5 H ASP 5 7.585 -0.100 5.502 31 HA ASP 5 HA ASP 5 7.640 0.845 2.708 32 HB2 ASP 5 2HB ASP 5 9.918 0.321 3.484 33 HB3 ASP 5 3HB ASP 5 9.386 -1.227 4.126 34 H ILE 6 H ILE 6 5.959 0.006 1.701 35 HA ILE 6 HA ILE 6 4.675 -2.538 2.526 36 HB ILE 6 HB ILE 6 3.363 -0.093 1.203 37 HG12 ILE 6 2HG1 ILE 6 3.082 -1.036 4.096 38 HG13 ILE 6 3HG1 ILE 6 4.027 0.353 3.576 39 HG21 ILE 6 1HG2 ILE 6 2.073 -2.626 2.293 40 HG22 ILE 6 2HG2 ILE 6 2.271 -2.217 0.588 41 HG23 ILE 6 3HG2 ILE 6 1.217 -1.239 1.609 42 HD11 ILE 6 3HD1 ILE 6 1.980 1.430 2.773 43 HD12 ILE 6 1HD1 ILE 6 1.930 1.055 4.495 44 HD13 ILE 6 2HD1 ILE 6 1.040 0.049 3.351 45 H ARG 7 H ARG 7 4.323 -3.994 0.825 46 HA ARG 7 HA ARG 7 4.818 -3.125 -1.938 47 HB2 ARG 7 2HB ARG 7 7.005 -3.844 -0.889 48 HB3 ARG 7 3HB ARG 7 6.341 -5.463 -0.707 49 HG2 ARG 7 2HG ARG 7 6.272 -5.798 -3.085 50 HG3 ARG 7 3HG ARG 7 6.569 -4.091 -3.411 51 HD2 ARG 7 2HD ARG 7 8.577 -5.915 -2.035 52 HD3 ARG 7 3HD ARG 7 8.566 -5.595 -3.769 53 HE ARG 7 HE ARG 7 9.306 -3.409 -3.394 54 HH11 ARG 7 1HH1 ARG 7 8.936 -5.063 -0.291 55 HH12 ARG 7 2HH1 ARG 7 9.843 -3.868 0.583 56 HH21 ARG 7 1HH2 ARG 7 10.492 -1.860 -2.195 57 HH22 ARG 7 2HH2 ARG 7 10.712 -2.076 -0.485 58 H PHE 8 H PHE 8 3.492 -4.060 -3.307 59 HA PHE 8 HA PHE 8 1.853 -6.395 -2.533 60 HB2 PHE 8 2HB PHE 8 1.298 -4.081 -4.457 61 HB3 PHE 8 3HB PHE 8 0.299 -5.527 -4.380 62 HD1 PHE 8 HD2 PHE 8 -1.137 -5.968 -2.425 63 HD2 PHE 8 HD1 PHE 8 1.157 -2.363 -2.697 64 HE1 PHE 8 HE2 PHE 8 -2.498 -4.963 -0.646 65 HE2 PHE 8 HE1 PHE 8 -0.212 -1.370 -0.906 66 HZ PHE 8 HZ PHE 8 -2.037 -2.667 0.118 67 H ARG 9 H ARG 9 1.530 -7.986 -4.149 68 HA ARG 9 HA ARG 9 2.999 -7.902 -6.687 69 HB2 ARG 9 2HB ARG 9 3.395 -9.991 -4.493 70 HB3 ARG 9 3HB ARG 9 3.681 -10.398 -6.176 71 HG2 ARG 9 2HG ARG 9 5.412 -8.619 -6.302 72 HG3 ARG 9 3HG ARG 9 5.130 -8.244 -4.602 73 HD2 ARG 9 2HD ARG 9 5.887 -10.490 -3.956 74 HD3 ARG 9 3HD ARG 9 6.101 -10.924 -5.657 75 HE ARG 9 HE ARG 9 7.643 -8.640 -5.158 76 HH11 ARG 9 1HH1 ARG 9 7.618 -12.036 -4.181 77 HH12 ARG 9 2HH1 ARG 9 9.334 -12.092 -3.939 78 HH21 ARG 9 1HH2 ARG 9 9.902 -8.754 -4.841 79 HH22 ARG 9 2HH2 ARG 9 10.619 -10.243 -4.311 80 H GLY 10 H GLY 10 1.761 -8.891 -8.302 81 HA2 GLY 10 2HA GLY 10 -0.543 -10.548 -7.563 82 HA3 GLY 10 3HA GLY 10 -0.907 -8.966 -8.240 83 H ASP 11 H ASP 11 -1.490 -11.660 -9.192 84 HA ASP 11 HA ASP 11 -0.056 -12.232 -11.581 85 HB2 ASP 11 2HB ASP 11 -1.489 -13.891 -10.464 86 HB3 ASP 11 3HB ASP 11 -2.906 -12.886 -10.718 87 H ASP 12 H ASP 12 -2.630 -10.066 -10.756 88 HA ASP 12 HA ASP 12 -2.991 -9.111 -13.536 89 HB2 ASP 12 2HB ASP 12 -5.041 -9.997 -12.500 90 HB3 ASP 12 3HB ASP 12 -4.810 -8.986 -11.081 91 H LEU 13 H LEU 13 -1.822 -7.293 -13.927 92 HA LEU 13 HA LEU 13 -0.618 -5.619 -12.020 93 HB2 LEU 13 2HB LEU 13 0.144 -5.780 -14.370 94 HB3 LEU 13 3HB LEU 13 -1.313 -4.970 -14.907 95 HG LEU 13 HG LEU 13 -0.575 -2.901 -13.661 96 HD11 LEU 13 1HD1 LEU 13 2.012 -4.414 -13.212 97 HD12 LEU 13 2HD1 LEU 13 0.864 -3.901 -11.972 98 HD13 LEU 13 3HD1 LEU 13 1.748 -2.695 -12.902 99 HD21 LEU 13 3HD2 LEU 13 1.130 -2.212 -15.279 100 HD22 LEU 13 1HD2 LEU 13 -0.163 -3.115 -16.067 101 HD23 LEU 13 2HD2 LEU 13 1.389 -3.894 -15.749 102 H GLU 14 H GLU 14 -3.853 -5.514 -13.381 103 HA GLU 14 HA GLU 14 -4.438 -2.761 -12.811 104 HB2 GLU 14 2HB GLU 14 -6.282 -5.130 -13.296 105 HB3 GLU 14 3HB GLU 14 -6.888 -3.513 -12.942 106 HG2 GLU 14 2HG GLU 14 -5.655 -2.670 -14.936 107 HG3 GLU 14 3HG GLU 14 -5.230 -4.338 -15.333 108 H ALA 15 H ALA 15 -4.685 -5.761 -10.993 109 HA ALA 15 HA ALA 15 -6.191 -4.858 -8.778 110 HB1 ALA 15 3HB ALA 15 -4.101 -7.066 -8.953 111 HB2 ALA 15 1HB ALA 15 -5.823 -7.240 -9.298 112 HB3 ALA 15 2HB ALA 15 -5.284 -6.874 -7.659 113 H LEU 16 H LEU 16 -2.765 -4.731 -9.586 114 HA LEU 16 HA LEU 16 -1.810 -3.716 -7.080 115 HB2 LEU 16 2HB LEU 16 -0.540 -3.526 -9.844 116 HB3 LEU 16 3HB LEU 16 0.286 -3.269 -8.313 117 HG LEU 16 HG LEU 16 -0.893 -5.921 -9.234 118 HD11 LEU 16 1HD1 LEU 16 1.026 -5.284 -10.599 119 HD12 LEU 16 2HD1 LEU 16 1.425 -6.649 -9.560 120 HD13 LEU 16 3HD1 LEU 16 2.005 -5.030 -9.151 121 HD21 LEU 16 3HD2 LEU 16 -0.911 -5.739 -6.805 122 HD22 LEU 16 1HD2 LEU 16 0.797 -5.287 -6.796 123 HD23 LEU 16 2HD2 LEU 16 0.305 -6.898 -7.328 124 H GLU 17 H GLU 17 -2.760 -2.280 -10.183 125 HA GLU 17 HA GLU 17 -2.013 0.419 -9.660 126 HB2 GLU 17 2HB GLU 17 -4.001 -0.771 -11.641 127 HB3 GLU 17 3HB GLU 17 -3.512 0.923 -11.642 128 HG2 GLU 17 2HG GLU 17 -1.201 0.300 -12.129 129 HG3 GLU 17 3HG GLU 17 -1.612 -1.411 -12.025 130 H LYS 18 H LYS 18 -4.951 -1.394 -9.132 131 HA LYS 18 HA LYS 18 -6.624 0.831 -8.392 132 HB2 LYS 18 2HB LYS 18 -6.933 -2.197 -8.284 133 HB3 LYS 18 3HB LYS 18 -8.165 -1.124 -7.627 134 HG2 LYS 18 2HG LYS 18 -8.809 -0.326 -9.729 135 HG3 LYS 18 3HG LYS 18 -7.262 -0.719 -10.481 136 HD2 LYS 18 2HD LYS 18 -7.810 -3.091 -10.482 137 HD3 LYS 18 3HD LYS 18 -9.288 -2.800 -9.584 138 HE2 LYS 18 2HE LYS 18 -9.749 -3.188 -11.961 139 HE3 LYS 18 3HE LYS 18 -10.228 -1.562 -11.486 140 HZ1 LYS 18 3HZ LYS 18 -9.065 -1.696 -13.644 141 HZ2 LYS 18 1HZ LYS 18 -7.669 -2.209 -12.843 142 HZ3 LYS 18 2HZ LYS 18 -8.297 -0.673 -12.539 143 H ALA 19 H ALA 19 -4.910 -1.803 -6.639 144 HA ALA 19 HA ALA 19 -5.544 -1.026 -3.993 145 HB1 ALA 19 3HB ALA 19 -4.553 -3.219 -4.535 146 HB2 ALA 19 1HB ALA 19 -3.596 -2.380 -3.313 147 HB3 ALA 19 2HB ALA 19 -3.039 -2.435 -4.990 148 H LEU 20 H LEU 20 -2.871 -0.114 -6.139 149 HA LEU 20 HA LEU 20 -1.376 1.595 -4.546 150 HB2 LEU 20 2HB LEU 20 -0.636 0.908 -6.773 151 HB3 LEU 20 3HB LEU 20 -1.983 1.740 -7.524 152 HG LEU 20 HG LEU 20 -1.026 3.924 -6.871 153 HD11 LEU 20 1HD1 LEU 20 1.261 2.350 -5.668 154 HD12 LEU 20 2HD1 LEU 20 0.096 3.361 -4.811 155 HD13 LEU 20 3HD1 LEU 20 1.240 4.095 -5.929 156 HD21 LEU 20 3HD2 LEU 20 0.903 3.931 -8.394 157 HD22 LEU 20 1HD2 LEU 20 -0.444 3.005 -9.056 158 HD23 LEU 20 2HD2 LEU 20 0.948 2.167 -8.365 159 H LYS 21 H LYS 21 -4.040 2.398 -6.740 160 HA LYS 21 HA LYS 21 -4.220 5.151 -6.378 161 HB2 LYS 21 2HB LYS 21 -5.302 3.891 -8.194 162 HB3 LYS 21 3HB LYS 21 -6.361 3.087 -7.045 163 HG2 LYS 21 2HG LYS 21 -7.466 5.250 -6.558 164 HG3 LYS 21 3HG LYS 21 -6.390 6.048 -7.706 165 HD2 LYS 21 2HD LYS 21 -8.601 5.597 -8.707 166 HD3 LYS 21 3HD LYS 21 -7.319 4.729 -9.555 167 HE2 LYS 21 2HE LYS 21 -9.323 3.329 -9.251 168 HE3 LYS 21 3HE LYS 21 -7.942 2.650 -8.391 169 HZ1 LYS 21 3HZ LYS 21 -8.821 3.579 -6.334 170 HZ2 LYS 21 1HZ LYS 21 -9.968 2.577 -7.068 171 HZ3 LYS 21 2HZ LYS 21 -10.124 4.256 -7.169 172 H GLU 22 H GLU 22 -5.628 2.511 -4.505 173 HA GLU 22 HA GLU 22 -7.179 4.125 -2.720 174 HB2 GLU 22 2HB GLU 22 -6.159 1.272 -2.407 175 HB3 GLU 22 3HB GLU 22 -7.351 2.035 -1.366 176 HG2 GLU 22 2HG GLU 22 -7.671 1.335 -4.293 177 HG3 GLU 22 3HG GLU 22 -8.454 0.554 -2.927 178 H MET 23 H MET 23 -3.947 2.548 -2.472 179 HA MET 23 HA MET 23 -3.383 3.350 0.196 180 HB2 MET 23 2HB MET 23 -1.495 2.497 -2.038 181 HB3 MET 23 3HB MET 23 -0.979 2.762 -0.375 182 HG2 MET 23 2HG MET 23 -2.951 0.673 -1.316 183 HG3 MET 23 3HG MET 23 -1.282 0.390 -0.828 184 HE1 MET 23 3HE MET 23 -1.440 1.041 3.035 185 HE2 MET 23 1HE MET 23 -1.006 2.237 1.814 186 HE3 MET 23 2HE MET 23 -0.419 0.578 1.673 187 H ILE 24 H ILE 24 -2.973 5.010 -2.860 188 HA ILE 24 HA ILE 24 -1.255 7.111 -1.939 189 HB ILE 24 HB ILE 24 -3.186 7.012 -4.322 190 HG12 ILE 24 2HG1 ILE 24 -0.134 6.824 -4.218 191 HG13 ILE 24 3HG1 ILE 24 -1.229 5.477 -4.488 192 HG21 ILE 24 1HG2 ILE 24 -2.916 9.361 -3.636 193 HG22 ILE 24 2HG2 ILE 24 -2.100 9.069 -5.171 194 HG23 ILE 24 3HG2 ILE 24 -1.159 9.191 -3.684 195 HD11 ILE 24 3HD1 ILE 24 -0.819 7.826 -6.339 196 HD12 ILE 24 1HD1 ILE 24 -1.950 6.495 -6.601 197 HD13 ILE 24 2HD1 ILE 24 -0.216 6.183 -6.559 198 H ARG 25 H ARG 25 -4.788 6.798 -2.451 199 HA ARG 25 HA ARG 25 -5.711 9.195 -1.414 200 HB2 ARG 25 2HB ARG 25 -7.256 7.670 -2.508 201 HB3 ARG 25 3HB ARG 25 -6.956 6.412 -1.316 202 HG2 ARG 25 2HG ARG 25 -8.068 7.777 0.416 203 HG3 ARG 25 3HG ARG 25 -8.357 9.051 -0.768 204 HD2 ARG 25 2HD ARG 25 -9.819 7.532 -2.052 205 HD3 ARG 25 3HD ARG 25 -9.507 6.236 -0.887 206 HE ARG 25 HE ARG 25 -10.452 8.221 0.691 207 HH11 ARG 25 1HH1 ARG 25 -11.776 6.820 -2.265 208 HH12 ARG 25 2HH1 ARG 25 -13.419 7.139 -1.809 209 HH21 ARG 25 1HH2 ARG 25 -12.631 8.610 1.257 210 HH22 ARG 25 2HH2 ARG 25 -13.900 8.142 0.167 211 H GLN 26 H GLN 26 -4.817 6.217 0.318 212 HA GLN 26 HA GLN 26 -5.656 7.033 2.908 213 HB2 GLN 26 2HB GLN 26 -3.537 4.948 2.230 214 HB3 GLN 26 3HB GLN 26 -4.386 5.113 3.765 215 HG2 GLN 26 2HG GLN 26 -5.500 4.202 1.113 216 HG3 GLN 26 3HG GLN 26 -5.392 3.290 2.609 217 HE21 GLN 26 1HE2 GLN 26 -7.684 3.992 0.825 218 HE22 GLN 26 2HE2 GLN 26 -8.868 4.694 1.863 219 H ALA 27 H ALA 27 -2.426 6.925 1.381 220 HA ALA 27 HA ALA 27 -0.956 7.980 3.527 221 HB1 ALA 27 3HB ALA 27 0.077 6.801 1.639 222 HB2 ALA 27 1HB ALA 27 0.826 8.379 1.884 223 HB3 ALA 27 2HB ALA 27 -0.326 8.141 0.564 224 H ARG 28 H ARG 28 -2.863 9.602 1.044 225 HA ARG 28 HA ARG 28 -1.760 12.221 1.501 226 HB2 ARG 28 2HB ARG 28 -4.293 11.410 0.022 227 HB3 ARG 28 3HB ARG 28 -3.643 13.046 0.075 228 HG2 ARG 28 2HG ARG 28 -1.505 12.096 -0.992 229 HG3 ARG 28 3HG ARG 28 -2.416 10.614 -1.255 230 HD2 ARG 28 2HD ARG 28 -2.459 11.972 -3.278 231 HD3 ARG 28 3HD ARG 28 -4.085 11.884 -2.590 232 HE ARG 28 HE ARG 28 -2.456 14.191 -1.844 233 HH11 ARG 28 1HH1 ARG 28 -5.031 13.002 -3.954 234 HH12 ARG 28 2HH1 ARG 28 -5.603 14.596 -4.329 235 HH21 ARG 28 1HH2 ARG 28 -3.220 16.251 -2.350 236 HH22 ARG 28 2HH2 ARG 28 -4.577 16.438 -3.420 237 H LYS 29 H LYS 29 -4.817 10.598 2.484 238 HA LYS 29 HA LYS 29 -5.780 12.816 4.030 239 HB2 LYS 29 2HB LYS 29 -7.508 11.313 4.881 240 HB3 LYS 29 3HB LYS 29 -7.312 11.049 3.154 241 HG2 LYS 29 2HG LYS 29 -6.017 9.009 3.593 242 HG3 LYS 29 3HG LYS 29 -6.157 9.270 5.328 243 HD2 LYS 29 2HD LYS 29 -8.574 8.874 3.524 244 HD3 LYS 29 3HD LYS 29 -7.721 7.535 4.286 245 HE2 LYS 29 2HE LYS 29 -9.645 8.053 5.626 246 HE3 LYS 29 3HE LYS 29 -8.217 8.565 6.523 247 HZ1 LYS 29 3HZ LYS 29 -9.951 10.385 4.929 248 HZ2 LYS 29 1HZ LYS 29 -8.665 10.836 5.930 249 HZ3 LYS 29 2HZ LYS 29 -10.062 10.168 6.601 250 H PHE 30 H PHE 30 -3.558 10.236 4.655 251 HA PHE 30 HA PHE 30 -3.425 10.662 7.539 252 HB2 PHE 30 2HB PHE 30 -1.860 8.848 5.655 253 HB3 PHE 30 3HB PHE 30 -1.568 8.925 7.387 254 HD1 PHE 30 HD1 PHE 30 -4.646 9.145 8.116 255 HD2 PHE 30 HD2 PHE 30 -2.382 6.479 5.652 256 HE1 PHE 30 HE1 PHE 30 -6.290 7.357 8.510 257 HE2 PHE 30 HE2 PHE 30 -4.040 4.703 6.048 258 HZ PHE 30 HZ PHE 30 -5.993 5.141 7.479 259 H ALA 31 H ALA 31 -2.275 12.340 4.925 260 HA ALA 31 HA ALA 31 -0.954 14.155 4.717 261 HB1 ALA 31 3HB ALA 31 -0.730 14.061 7.745 262 HB2 ALA 31 1HB ALA 31 -2.030 14.833 6.833 263 HB3 ALA 31 2HB ALA 31 -0.382 15.451 6.713 264 H GLY 32 H GLY 32 0.296 11.708 4.289 265 HA2 GLY 32 2HA GLY 32 3.136 12.276 4.957 266 HA3 GLY 32 3HA GLY 32 2.477 10.648 4.839 267 H THR 33 H THR 33 4.539 10.890 3.313 268 HA THR 33 HA THR 33 3.820 11.762 0.586 269 HB THR 33 HB THR 33 6.515 10.969 1.827 270 HG1 THR 33 HG1 THR 33 5.138 13.332 1.679 271 HG21 THR 33 3HG2 THR 33 5.980 12.113 -0.948 272 HG22 THR 33 1HG2 THR 33 6.493 10.455 -0.607 273 HG23 THR 33 2HG2 THR 33 7.565 11.806 -0.240 274 H VAL 34 H VAL 34 3.889 10.174 -1.130 275 HA VAL 34 HA VAL 34 4.155 7.348 -0.341 276 HB VAL 34 HB VAL 34 1.775 7.701 -0.219 277 HG11 VAL 34 1HG1 VAL 34 1.577 9.810 -1.456 278 HG12 VAL 34 2HG1 VAL 34 0.372 8.637 -1.992 279 HG13 VAL 34 3HG1 VAL 34 1.803 8.948 -2.982 280 HG21 VAL 34 3HG2 VAL 34 0.891 6.164 -1.929 281 HG22 VAL 34 1HG2 VAL 34 2.436 5.590 -1.294 282 HG23 VAL 34 2HG2 VAL 34 2.363 6.359 -2.881 283 H THR 35 H THR 35 5.952 6.896 -1.465 284 HA THR 35 HA THR 35 6.222 7.662 -4.308 285 HB THR 35 HB THR 35 8.302 6.321 -2.501 286 HG1 THR 35 HG1 THR 35 8.389 8.204 -1.530 287 HG21 THR 35 3HG2 THR 35 9.924 7.186 -4.113 288 HG22 THR 35 1HG2 THR 35 8.637 7.937 -5.056 289 HG23 THR 35 2HG2 THR 35 8.738 6.177 -4.942 290 H TYR 36 H TYR 36 6.007 6.054 -5.894 291 HA TYR 36 HA TYR 36 5.775 3.252 -4.946 292 HB2 TYR 36 2HB TYR 36 3.879 2.821 -6.337 293 HB3 TYR 36 3HB TYR 36 3.522 4.285 -5.433 294 HD1 TYR 36 HD2 TYR 36 3.496 6.509 -6.613 295 HD2 TYR 36 HD1 TYR 36 4.012 2.846 -8.779 296 HE1 TYR 36 HE2 TYR 36 2.953 7.663 -8.713 297 HE2 TYR 36 HE1 TYR 36 3.464 4.014 -10.872 298 HH TYR 36 HH TYR 36 2.277 6.009 -11.611 299 H THR 37 H THR 37 6.168 1.595 -6.510 300 HA THR 37 HA THR 37 7.318 2.395 -9.109 301 HB THR 37 HB THR 37 8.627 0.164 -7.479 302 HG1 THR 37 HG1 THR 37 9.159 1.841 -6.226 303 HG21 THR 37 3HG2 THR 37 9.660 1.852 -9.800 304 HG22 THR 37 1HG2 THR 37 9.080 0.186 -9.923 305 HG23 THR 37 2HG2 THR 37 10.534 0.549 -8.994 306 H LEU 38 H LEU 38 5.634 1.604 -10.349 307 HA LEU 38 HA LEU 38 4.722 -1.161 -10.123 308 HB2 LEU 38 2HB LEU 38 4.216 1.042 -12.171 309 HB3 LEU 38 3HB LEU 38 3.591 -0.585 -12.370 310 HG LEU 38 HG LEU 38 2.871 1.277 -10.072 311 HD11 LEU 38 1HD1 LEU 38 1.953 2.118 -12.179 312 HD12 LEU 38 2HD1 LEU 38 0.671 1.502 -11.143 313 HD13 LEU 38 3HD1 LEU 38 1.226 0.545 -12.519 314 HD21 LEU 38 3HD2 LEU 38 1.733 -1.436 -10.814 315 HD22 LEU 38 1HD2 LEU 38 1.119 -0.366 -9.548 316 HD23 LEU 38 2HD2 LEU 38 2.732 -1.058 -9.406 317 H ASP 39 H ASP 39 6.101 -2.758 -10.774 318 HA ASP 39 HA ASP 39 7.611 -2.474 -13.294 319 HB2 ASP 39 2HB ASP 39 9.182 -1.877 -11.440 320 HB3 ASP 39 3HB ASP 39 8.874 -3.430 -10.677 321 H GLY 40 H GLY 40 6.702 -4.018 -14.460 322 HA2 GLY 40 2HA GLY 40 5.913 -6.012 -15.205 323 HA3 GLY 40 3HA GLY 40 6.906 -6.772 -13.973 324 H ASN 41 H ASN 41 5.972 -7.376 -12.024 325 HA ASN 41 HA ASN 41 3.026 -7.253 -11.771 326 HB2 ASN 41 2HB ASN 41 4.826 -9.706 -11.583 327 HB3 ASN 41 3HB ASN 41 3.194 -9.680 -10.921 328 HD21 ASN 41 1HD2 ASN 41 1.419 -9.502 -12.353 329 HD22 ASN 41 2HD2 ASN 41 1.559 -9.939 -14.017 330 H ASP 42 H ASP 42 5.596 -6.031 -10.361 331 HA ASP 42 HA ASP 42 4.427 -6.416 -7.659 332 HB2 ASP 42 2HB ASP 42 6.529 -6.085 -6.570 333 HB3 ASP 42 3HB ASP 42 6.806 -7.292 -7.812 334 H LEU 43 H LEU 43 4.236 -4.652 -6.380 335 HA LEU 43 HA LEU 43 4.669 -1.951 -7.480 336 HB2 LEU 43 2HB LEU 43 2.299 -2.372 -7.574 337 HB3 LEU 43 3HB LEU 43 2.302 -3.156 -6.002 338 HG LEU 43 HG LEU 43 2.758 -0.945 -4.924 339 HD11 LEU 43 1HD1 LEU 43 3.851 0.192 -6.810 340 HD12 LEU 43 2HD1 LEU 43 2.530 1.132 -6.135 341 HD13 LEU 43 3HD1 LEU 43 2.304 0.272 -7.657 342 HD21 LEU 43 3HD2 LEU 43 0.495 -1.839 -5.061 343 HD22 LEU 43 1HD2 LEU 43 0.258 -1.062 -6.630 344 HD23 LEU 43 2HD2 LEU 43 0.480 -0.082 -5.177 345 H GLU 44 H GLU 44 6.299 -1.108 -6.263 346 HA GLU 44 HA GLU 44 6.542 -1.642 -3.389 347 HB2 GLU 44 2HB GLU 44 8.606 -1.527 -4.725 348 HB3 GLU 44 3HB GLU 44 8.170 0.070 -5.329 349 HG2 GLU 44 2HG GLU 44 8.360 0.965 -2.998 350 HG3 GLU 44 3HG GLU 44 8.873 -0.634 -2.457 351 H ILE 45 H ILE 45 5.903 -0.183 -1.859 352 HA ILE 45 HA ILE 45 5.073 2.570 -2.576 353 HB ILE 45 HB ILE 45 3.427 0.693 -0.783 354 HG12 ILE 45 2HG1 ILE 45 2.694 1.910 -3.492 355 HG13 ILE 45 3HG1 ILE 45 3.096 0.223 -3.202 356 HG21 ILE 45 1HG2 ILE 45 2.897 3.604 -1.504 357 HG22 ILE 45 2HG2 ILE 45 3.405 3.000 0.075 358 HG23 ILE 45 3HG2 ILE 45 1.823 2.561 -0.566 359 HD11 ILE 45 3HD1 ILE 45 0.717 0.525 -3.428 360 HD12 ILE 45 1HD1 ILE 45 0.698 1.672 -2.091 361 HD13 ILE 45 2HD1 ILE 45 1.117 -0.019 -1.802 362 H ARG 46 H ARG 46 6.438 3.824 -1.408 363 HA ARG 46 HA ARG 46 7.308 3.025 1.302 364 HB2 ARG 46 2HB ARG 46 8.707 4.822 -0.740 365 HB3 ARG 46 3HB ARG 46 9.304 4.476 0.881 366 HG2 ARG 46 2HG ARG 46 9.530 2.084 0.281 367 HG3 ARG 46 3HG ARG 46 8.939 2.445 -1.343 368 HD2 ARG 46 2HD ARG 46 11.470 3.588 -0.110 369 HD3 ARG 46 3HD ARG 46 11.411 2.245 -1.250 370 HE ARG 46 HE ARG 46 10.355 3.919 -2.839 371 HH11 ARG 46 1HH1 ARG 46 12.674 4.948 -0.371 372 HH12 ARG 46 2HH1 ARG 46 13.204 6.319 -1.294 373 HH21 ARG 46 1HH2 ARG 46 11.126 5.697 -4.035 374 HH22 ARG 46 2HH2 ARG 46 12.337 6.740 -3.352 375 H ILE 47 H ILE 47 6.047 4.069 2.709 376 HA ILE 47 HA ILE 47 5.117 6.826 2.152 377 HB ILE 47 HB ILE 47 3.846 4.754 4.009 378 HG12 ILE 47 2HG1 ILE 47 2.889 5.820 1.306 379 HG13 ILE 47 3HG1 ILE 47 3.587 4.231 1.576 380 HG21 ILE 47 1HG2 ILE 47 1.983 6.368 4.251 381 HG22 ILE 47 2HG2 ILE 47 2.863 7.540 3.267 382 HG23 ILE 47 3HG2 ILE 47 3.499 7.056 4.839 383 HD11 ILE 47 3HD1 ILE 47 1.196 4.101 1.356 384 HD12 ILE 47 1HD1 ILE 47 0.972 5.225 2.697 385 HD13 ILE 47 2HD1 ILE 47 1.684 3.635 2.983 386 H THR 48 H THR 48 6.026 8.399 3.321 387 HA THR 48 HA THR 48 7.186 7.832 5.981 388 HB THR 48 HB THR 48 8.561 9.514 3.825 389 HG1 THR 48 HG1 THR 48 8.695 6.796 4.432 390 HG21 THR 48 3HG2 THR 48 9.570 8.551 6.536 391 HG22 THR 48 1HG2 THR 48 9.125 10.215 6.140 392 HG23 THR 48 2HG2 THR 48 10.510 9.459 5.353 393 H GLY 49 H GLY 49 6.929 9.472 7.469 394 HA2 GLY 49 2HA GLY 49 6.569 11.743 8.140 395 HA3 GLY 49 3HA GLY 49 5.700 12.048 6.644 396 H VAL 50 H VAL 50 4.789 9.066 7.885 397 HA VAL 50 HA VAL 50 2.363 10.158 9.176 398 HB VAL 50 HB VAL 50 1.372 7.862 8.761 399 HG11 VAL 50 1HG1 VAL 50 2.293 9.345 6.272 400 HG12 VAL 50 2HG1 VAL 50 0.866 9.713 7.241 401 HG13 VAL 50 3HG1 VAL 50 0.950 8.196 6.344 402 HG21 VAL 50 3HG2 VAL 50 3.871 7.377 7.090 403 HG22 VAL 50 1HG2 VAL 50 2.442 6.336 7.124 404 HG23 VAL 50 2HG2 VAL 50 3.431 6.529 8.572 405 HA PRO 51 HA PRO 51 4.333 8.885 13.060 406 HB2 PRO 51 2HB PRO 51 2.036 8.971 14.687 407 HB3 PRO 51 3HB PRO 51 3.067 10.358 14.293 408 HG2 PRO 51 2HG PRO 51 0.459 9.552 13.105 409 HG3 PRO 51 3HG PRO 51 1.101 11.176 13.424 410 HD2 PRO 51 2HD PRO 51 1.042 10.094 10.922 411 HD3 PRO 51 3HD PRO 51 2.301 11.236 11.435 412 H GLU 52 H GLU 52 3.996 7.273 14.860 413 HA GLU 52 HA GLU 52 4.201 4.708 13.886 414 HB2 GLU 52 2HB GLU 52 5.141 5.455 16.054 415 HB3 GLU 52 3HB GLU 52 3.520 5.601 16.719 416 HG2 GLU 52 2HG GLU 52 4.509 3.581 17.574 417 HG3 GLU 52 3HG GLU 52 3.229 3.127 16.449 418 H GLN 53 H GLN 53 1.464 6.055 15.709 419 HA GLN 53 HA GLN 53 -0.304 3.922 15.716 420 HB2 GLN 53 2HB GLN 53 -2.102 5.658 16.012 421 HB3 GLN 53 3HB GLN 53 -0.714 5.920 17.061 422 HG2 GLN 53 2HG GLN 53 0.085 7.734 15.699 423 HG3 GLN 53 3HG GLN 53 -1.082 7.376 14.431 424 HE21 GLN 53 1HE2 GLN 53 -3.261 7.967 14.741 425 HE22 GLN 53 2HE2 GLN 53 -3.723 9.141 15.918 426 H VAL 54 H VAL 54 0.322 6.281 13.179 427 HA VAL 54 HA VAL 54 -1.936 5.531 11.545 428 HB VAL 54 HB VAL 54 0.386 7.430 10.991 429 HG11 VAL 54 1HG1 VAL 54 -0.984 8.308 9.132 430 HG12 VAL 54 2HG1 VAL 54 -2.175 7.032 9.403 431 HG13 VAL 54 3HG1 VAL 54 -0.543 6.620 8.875 432 HG21 VAL 54 3HG2 VAL 54 -2.493 7.999 11.812 433 HG22 VAL 54 1HG2 VAL 54 -1.276 9.218 11.419 434 HG23 VAL 54 2HG2 VAL 54 -1.064 8.186 12.832 435 H ARG 55 H ARG 55 1.529 4.765 11.628 436 HA ARG 55 HA ARG 55 1.740 3.482 9.094 437 HB2 ARG 55 2HB ARG 55 3.294 2.899 11.650 438 HB3 ARG 55 3HB ARG 55 3.728 2.326 10.040 439 HG2 ARG 55 2HG ARG 55 3.888 4.775 9.358 440 HG3 ARG 55 3HG ARG 55 3.763 5.163 11.076 441 HD2 ARG 55 2HD ARG 55 5.923 3.529 9.714 442 HD3 ARG 55 3HD ARG 55 6.093 5.128 10.440 443 HE ARG 55 HE ARG 55 5.242 3.510 12.499 444 HH11 ARG 55 1HH1 ARG 55 7.999 3.480 10.299 445 HH12 ARG 55 2HH1 ARG 55 9.037 2.689 11.433 446 HH21 ARG 55 1HH2 ARG 55 6.649 2.418 13.960 447 HH22 ARG 55 2HH2 ARG 55 8.287 2.097 13.480 448 H LYS 56 H LYS 56 0.751 2.376 12.299 449 HA LYS 56 HA LYS 56 0.220 -0.326 11.758 450 HB2 LYS 56 2HB LYS 56 -1.348 1.536 13.602 451 HB3 LYS 56 3HB LYS 56 -1.342 -0.224 13.681 452 HG2 LYS 56 2HG LYS 56 1.079 1.546 14.144 453 HG3 LYS 56 3HG LYS 56 0.086 0.844 15.421 454 HD2 LYS 56 2HD LYS 56 0.795 -1.383 14.887 455 HD3 LYS 56 3HD LYS 56 1.503 -0.878 13.351 456 HE2 LYS 56 2HE LYS 56 3.206 -1.347 15.117 457 HE3 LYS 56 3HE LYS 56 3.292 0.301 14.502 458 HZ1 LYS 56 3HZ LYS 56 2.054 -0.550 17.072 459 HZ2 LYS 56 1HZ LYS 56 2.064 1.033 16.481 460 HZ3 LYS 56 2HZ LYS 56 3.517 0.277 16.890 461 H GLU 57 H GLU 57 -1.792 2.587 11.245 462 HA GLU 57 HA GLU 57 -4.138 1.313 10.296 463 HB2 GLU 57 2HB GLU 57 -3.142 4.120 9.614 464 HB3 GLU 57 3HB GLU 57 -4.785 3.525 9.387 465 HG2 GLU 57 2HG GLU 57 -4.993 3.221 11.849 466 HG3 GLU 57 3HG GLU 57 -3.370 3.882 12.041 467 H LEU 58 H LEU 58 -1.221 2.474 8.587 468 HA LEU 58 HA LEU 58 -2.089 1.878 5.944 469 HB2 LEU 58 2HB LEU 58 0.648 2.346 7.147 470 HB3 LEU 58 3HB LEU 58 0.527 1.717 5.520 471 HG LEU 58 HG LEU 58 0.833 4.000 5.174 472 HD11 LEU 58 1HD1 LEU 58 -1.224 4.923 4.230 473 HD12 LEU 58 2HD1 LEU 58 -2.179 3.690 5.058 474 HD13 LEU 58 3HD1 LEU 58 -1.020 3.224 3.811 475 HD21 LEU 58 3HD2 LEU 58 -1.156 4.684 7.348 476 HD22 LEU 58 1HD2 LEU 58 -0.257 5.832 6.350 477 HD23 LEU 58 2HD2 LEU 58 0.603 4.779 7.471 478 H ALA 59 H ALA 59 -0.653 -0.136 8.463 479 HA ALA 59 HA ALA 59 -0.167 -2.449 6.905 480 HB1 ALA 59 3HB ALA 59 0.738 -2.156 9.179 481 HB2 ALA 59 1HB ALA 59 -0.161 -3.666 9.037 482 HB3 ALA 59 2HB ALA 59 -0.887 -2.280 9.853 483 H LYS 60 H LYS 60 -3.059 -1.337 8.715 484 HA LYS 60 HA LYS 60 -4.750 -3.557 8.227 485 HB2 LYS 60 2HB LYS 60 -5.282 -0.647 8.892 486 HB3 LYS 60 3HB LYS 60 -6.630 -1.678 8.452 487 HG2 LYS 60 2HG LYS 60 -6.478 -1.465 10.863 488 HG3 LYS 60 3HG LYS 60 -6.160 -3.136 10.394 489 HD2 LYS 60 2HD LYS 60 -3.828 -2.911 10.833 490 HD3 LYS 60 3HD LYS 60 -3.933 -1.154 10.914 491 HE2 LYS 60 2HE LYS 60 -3.645 -2.173 13.142 492 HE3 LYS 60 3HE LYS 60 -5.165 -1.290 13.022 493 HZ1 LYS 60 3HZ LYS 60 -4.862 -4.236 12.770 494 HZ2 LYS 60 1HZ LYS 60 -6.325 -3.387 12.734 495 HZ3 LYS 60 2HZ LYS 60 -5.400 -3.425 14.149 496 H GLU 61 H GLU 61 -4.034 -0.621 6.361 497 HA GLU 61 HA GLU 61 -5.997 -0.955 4.341 498 HB2 GLU 61 2HB GLU 61 -3.425 0.679 4.396 499 HB3 GLU 61 3HB GLU 61 -4.617 0.771 3.102 500 HG2 GLU 61 2HG GLU 61 -4.999 1.537 6.003 501 HG3 GLU 61 3HG GLU 61 -4.982 2.615 4.605 502 H ALA 62 H ALA 62 -2.536 -1.711 4.485 503 HA ALA 62 HA ALA 62 -2.125 -2.750 1.948 504 HB1 ALA 62 3HB ALA 62 -0.363 -2.222 3.614 505 HB2 ALA 62 1HB ALA 62 -0.155 -3.833 2.932 506 HB3 ALA 62 2HB ALA 62 -0.828 -3.643 4.552 507 H GLU 63 H GLU 63 -3.167 -4.446 4.901 508 HA GLU 63 HA GLU 63 -3.379 -7.058 3.828 509 HB2 GLU 63 2HB GLU 63 -4.694 -5.796 6.260 510 HB3 GLU 63 3HB GLU 63 -4.705 -7.525 5.915 511 HG2 GLU 63 2HG GLU 63 -2.294 -7.650 6.158 512 HG3 GLU 63 3HG GLU 63 -2.181 -5.896 6.294 513 H ARG 64 H ARG 64 -5.856 -4.476 4.246 514 HA ARG 64 HA ARG 64 -8.058 -6.184 3.585 515 HB2 ARG 64 2HB ARG 64 -9.461 -4.172 3.539 516 HB3 ARG 64 3HB ARG 64 -8.446 -4.189 4.972 517 HG2 ARG 64 2HG ARG 64 -7.019 -2.488 4.091 518 HG3 ARG 64 3HG ARG 64 -7.746 -2.601 2.492 519 HD2 ARG 64 2HD ARG 64 -9.324 -1.737 4.933 520 HD3 ARG 64 3HD ARG 64 -8.420 -0.599 3.933 521 HE ARG 64 HE ARG 64 -10.601 -2.309 2.880 522 HH11 ARG 64 1HH1 ARG 64 -8.982 0.825 3.040 523 HH12 ARG 64 2HH1 ARG 64 -10.065 1.571 1.898 524 HH21 ARG 64 1HH2 ARG 64 -12.000 -1.310 1.395 525 HH22 ARG 64 2HH2 ARG 64 -11.770 0.361 0.972 526 H LEU 65 H LEU 65 -5.926 -4.107 1.725 527 HA LEU 65 HA LEU 65 -7.479 -4.282 -0.726 528 HB2 LEU 65 2HB LEU 65 -4.680 -3.223 -0.190 529 HB3 LEU 65 3HB LEU 65 -5.524 -3.073 -1.725 530 HG LEU 65 HG LEU 65 -6.396 -1.822 0.911 531 HD11 LEU 65 1HD1 LEU 65 -4.429 -0.737 -0.017 532 HD12 LEU 65 2HD1 LEU 65 -5.833 0.320 -0.103 533 HD13 LEU 65 3HD1 LEU 65 -5.256 -0.497 -1.558 534 HD21 LEU 65 3HD2 LEU 65 -7.694 -1.574 -1.821 535 HD22 LEU 65 1HD2 LEU 65 -8.128 -0.641 -0.384 536 HD23 LEU 65 2HD2 LEU 65 -8.364 -2.387 -0.403 537 H ALA 66 H ALA 66 -4.787 -5.976 0.758 538 HA ALA 66 HA ALA 66 -4.009 -7.589 -1.436 539 HB1 ALA 66 3HB ALA 66 -2.695 -7.397 0.639 540 HB2 ALA 66 1HB ALA 66 -3.029 -9.083 0.241 541 HB3 ALA 66 2HB ALA 66 -3.943 -8.278 1.520 542 H LYS 67 H LYS 67 -6.513 -8.069 1.069 543 HA LYS 67 HA LYS 67 -7.366 -10.609 -0.068 544 HB2 LYS 67 2HB LYS 67 -8.936 -10.717 1.795 545 HB3 LYS 67 3HB LYS 67 -7.340 -10.269 2.384 546 HG2 LYS 67 2HG LYS 67 -8.129 -7.865 2.418 547 HG3 LYS 67 3HG LYS 67 -9.750 -8.458 2.059 548 HD2 LYS 67 2HD LYS 67 -8.095 -9.182 4.511 549 HD3 LYS 67 3HD LYS 67 -9.433 -8.036 4.479 550 HE2 LYS 67 2HE LYS 67 -11.023 -9.794 4.012 551 HE3 LYS 67 3HE LYS 67 -9.731 -10.975 3.773 552 HZ1 LYS 67 3HZ LYS 67 -10.708 -11.242 5.952 553 HZ2 LYS 67 1HZ LYS 67 -10.410 -9.618 6.333 554 HZ3 LYS 67 2HZ LYS 67 -9.120 -10.684 6.120 555 H GLU 68 H GLU 68 -8.190 -7.283 -0.530 556 HA GLU 68 HA GLU 68 -10.859 -7.696 -1.550 557 HB2 GLU 68 2HB GLU 68 -10.217 -5.487 -0.668 558 HB3 GLU 68 3HB GLU 68 -8.929 -5.345 -1.857 559 HG2 GLU 68 2HG GLU 68 -10.888 -3.950 -2.418 560 HG3 GLU 68 3HG GLU 68 -10.554 -5.152 -3.665 561 H PHE 69 H PHE 69 -7.696 -6.983 -3.044 562 HA PHE 69 HA PHE 69 -8.736 -7.536 -5.729 563 HB2 PHE 69 2HB PHE 69 -6.043 -6.411 -4.821 564 HB3 PHE 69 3HB PHE 69 -6.594 -6.523 -6.490 565 HD1 PHE 69 HD1 PHE 69 -8.807 -5.258 -7.094 566 HD2 PHE 69 HD2 PHE 69 -6.510 -4.432 -3.585 567 HE1 PHE 69 HE1 PHE 69 -9.902 -3.067 -6.884 568 HE2 PHE 69 HE2 PHE 69 -7.610 -2.237 -3.390 569 HZ PHE 69 HZ PHE 69 -9.309 -1.557 -5.034 570 H ASN 70 H ASN 70 -7.682 -9.494 -3.419 571 HA ASN 70 HA ASN 70 -6.539 -11.418 -3.157 572 HB2 ASN 70 2HB ASN 70 -8.487 -12.177 -4.499 573 HB3 ASN 70 3HB ASN 70 -7.562 -11.950 -5.979 574 HD21 ASN 70 1HD2 ASN 70 -7.792 -14.139 -6.544 575 HD22 ASN 70 2HD2 ASN 70 -6.927 -15.408 -5.750 576 H ILE 71 H ILE 71 -4.673 -9.913 -3.247 577 HA ILE 71 HA ILE 71 -2.576 -10.983 -5.019 578 HB ILE 71 HB ILE 71 -1.515 -8.681 -5.067 579 HG12 ILE 71 2HG1 ILE 71 -4.212 -7.771 -3.942 580 HG13 ILE 71 3HG1 ILE 71 -2.644 -7.620 -3.159 581 HG21 ILE 71 1HG2 ILE 71 -4.236 -8.822 -6.405 582 HG22 ILE 71 2HG2 ILE 71 -2.747 -9.545 -7.016 583 HG23 ILE 71 3HG2 ILE 71 -2.885 -7.792 -6.893 584 HD11 ILE 71 3HD1 ILE 71 -3.359 -5.487 -4.020 585 HD12 ILE 71 1HD1 ILE 71 -3.543 -6.156 -5.643 586 HD13 ILE 71 2HD1 ILE 71 -1.942 -6.038 -4.910 587 H THR 72 H THR 72 -0.419 -10.822 -4.035 588 HA THR 72 HA THR 72 -0.458 -11.354 -1.180 589 HB THR 72 HB THR 72 2.083 -11.756 -1.638 590 HG1 THR 72 HG1 THR 72 1.153 -11.534 -4.318 591 HG21 THR 72 3HG2 THR 72 0.081 -13.494 -3.129 592 HG22 THR 72 1HG2 THR 72 0.470 -13.625 -1.411 593 HG23 THR 72 2HG2 THR 72 1.700 -13.977 -2.624 594 H VAL 73 H VAL 73 0.447 -10.075 0.394 595 HA VAL 73 HA VAL 73 1.799 -7.565 -0.390 596 HB VAL 73 HB VAL 73 -0.578 -7.146 0.386 597 HG11 VAL 73 1HG1 VAL 73 -0.790 -8.878 2.103 598 HG12 VAL 73 2HG1 VAL 73 -1.151 -7.284 2.766 599 HG13 VAL 73 3HG1 VAL 73 0.402 -8.052 3.113 600 HG21 VAL 73 3HG2 VAL 73 1.598 -5.889 2.099 601 HG22 VAL 73 1HG2 VAL 73 -0.018 -5.232 1.823 602 HG23 VAL 73 2HG2 VAL 73 1.114 -5.373 0.480 603 H THR 74 H THR 74 3.528 -7.009 0.804 604 HA THR 74 HA THR 74 4.169 -8.296 3.344 605 HB THR 74 HB THR 74 5.454 -9.635 1.795 606 HG1 THR 74 HG1 THR 74 7.698 -8.554 2.362 607 HG21 THR 74 3HG2 THR 74 7.061 -8.727 0.163 608 HG22 THR 74 1HG2 THR 74 6.583 -7.081 0.584 609 HG23 THR 74 2HG2 THR 74 5.427 -8.162 -0.195 610 H TYR 75 H TYR 75 4.807 -6.798 4.766 611 HA TYR 75 HA TYR 75 5.621 -4.108 3.965 612 HB2 TYR 75 2HB TYR 75 3.750 -3.072 5.331 613 HB3 TYR 75 3HB TYR 75 3.181 -3.893 3.880 614 HD1 TYR 75 HD2 TYR 75 1.923 -6.044 4.058 615 HD2 TYR 75 HD1 TYR 75 3.162 -3.932 7.568 616 HE1 TYR 75 HE2 TYR 75 0.439 -7.444 5.432 617 HE2 TYR 75 HE1 TYR 75 1.679 -5.334 8.919 618 HH TYR 75 HH TYR 75 -0.417 -6.716 8.555 619 H THR 76 H THR 76 6.602 -2.949 5.703 620 HA THR 76 HA THR 76 7.229 -4.569 8.109 621 HB THR 76 HB THR 76 9.244 -2.836 6.599 622 HG1 THR 76 HG1 THR 76 9.846 -5.461 6.565 623 HG21 THR 76 3HG2 THR 76 10.913 -4.017 8.011 624 HG22 THR 76 1HG2 THR 76 9.607 -4.834 8.872 625 HG23 THR 76 2HG2 THR 76 9.786 -3.081 8.994 626 H ILE 77 H ILE 77 6.996 -3.577 9.969 627 HA ILE 77 HA ILE 77 7.346 -0.700 10.330 628 HB ILE 77 HB ILE 77 5.284 -0.817 12.017 629 HG12 ILE 77 2HG1 ILE 77 4.476 -2.981 10.011 630 HG13 ILE 77 3HG1 ILE 77 4.772 -3.214 11.728 631 HG21 ILE 77 1HG2 ILE 77 3.773 0.110 10.336 632 HG22 ILE 77 2HG2 ILE 77 4.811 -0.500 9.048 633 HG23 ILE 77 3HG2 ILE 77 5.410 0.743 10.148 634 HD11 ILE 77 3HD1 ILE 77 2.828 -1.805 12.245 635 HD12 ILE 77 1HD1 ILE 77 2.410 -3.211 11.269 636 HD13 ILE 77 2HD1 ILE 77 2.512 -1.619 10.517 637 H ARG 78 H ARG 78 9.011 -0.731 11.707 638 HA ARG 78 HA ARG 78 8.869 -2.448 14.134 639 HB2 ARG 78 2HB ARG 78 11.378 -1.148 12.973 640 HB3 ARG 78 3HB ARG 78 11.297 -2.259 14.332 641 HG2 ARG 78 2HG ARG 78 10.587 -3.056 11.489 642 HG3 ARG 78 3HG ARG 78 12.215 -3.196 12.146 643 HD2 ARG 78 2HD ARG 78 11.204 -5.351 12.305 644 HD3 ARG 78 3HD ARG 78 11.260 -4.700 13.945 645 HE ARG 78 HE ARG 78 8.786 -4.179 12.588 646 HH11 ARG 78 1HH1 ARG 78 10.452 -6.689 14.425 647 HH12 ARG 78 2HH1 ARG 78 8.972 -7.431 14.953 648 HH21 ARG 78 1HH2 ARG 78 6.893 -5.097 13.365 649 HH22 ARG 78 2HH2 ARG 78 6.960 -6.523 14.350 650 H GLY 79 H GLY 79 8.651 -1.360 16.019 651 HA2 GLY 79 2HA GLY 79 9.827 1.007 16.811 652 HA3 GLY 79 3HA GLY 79 8.271 1.464 16.123 653 H SER 80 H SER 80 9.915 -0.076 18.725 654 HA SER 80 HA SER 80 9.398 -0.534 20.871 655 HB2 SER 80 2HB SER 80 6.667 0.701 20.319 656 HB3 SER 80 3HB SER 80 7.361 0.385 21.910 657 HG SER 80 HG SER 80 9.064 1.844 20.408 658 H LEU 81 H LEU 81 8.136 -2.118 18.321 659 HA LEU 81 HA LEU 81 6.106 -3.764 19.567 660 HB2 LEU 81 2HB LEU 81 7.567 -4.074 16.906 661 HB3 LEU 81 3HB LEU 81 6.176 -5.027 17.404 662 HG LEU 81 HG LEU 81 6.167 -2.026 16.876 663 HD11 LEU 81 1HD1 LEU 81 4.808 -2.553 14.903 664 HD12 LEU 81 2HD1 LEU 81 4.971 -4.280 15.231 665 HD13 LEU 81 3HD1 LEU 81 6.392 -3.322 14.812 666 HD21 LEU 81 3HD2 LEU 81 4.549 -2.581 18.617 667 HD22 LEU 81 1HD2 LEU 81 3.851 -3.850 17.606 668 HD23 LEU 81 2HD2 LEU 81 3.719 -2.156 17.123 669 H GLU 82 H GLU 82 9.508 -3.782 19.400 670 HA GLU 82 HA GLU 82 9.749 -6.660 20.047 671 HB2 GLU 82 2HB GLU 82 11.895 -4.812 18.920 672 HB3 GLU 82 3HB GLU 82 11.955 -6.567 19.058 673 HG2 GLU 82 2HG GLU 82 10.236 -6.800 17.341 674 HG3 GLU 82 3HG GLU 82 10.046 -5.050 17.261 675 H HIS 83 H HIS 83 10.194 -3.446 21.170 676 HA HIS 83 HA HIS 83 11.004 -2.429 23.002 677 HB2 HIS 83 2HB HIS 83 11.066 -5.199 24.264 678 HB3 HIS 83 3HB HIS 83 11.101 -3.666 25.131 679 HD1 HIS 83 HD1 HIS 83 8.849 -6.260 24.400 680 HD2 HIS 83 HD2 HIS 83 8.541 -2.118 24.357 681 HE1 HIS 83 HE1 HIS 83 6.390 -5.764 24.520 682 HE2 HIS 83 HE2 HIS 83 6.255 -3.263 24.705 683 H HIS 84 H HIS 84 12.900 -3.563 20.983 684 HA HIS 84 HA HIS 84 15.196 -4.695 22.135 685 HB2 HIS 84 2HB HIS 84 14.665 -3.337 19.484 686 HB3 HIS 84 3HB HIS 84 16.321 -3.739 19.916 687 HD1 HIS 84 HD1 HIS 84 14.220 -5.030 17.674 688 HD2 HIS 84 HD2 HIS 84 15.867 -6.777 21.063 689 HE1 HIS 84 HE1 HIS 84 14.255 -7.499 17.222 690 HE2 HIS 84 HE2 HIS 84 15.139 -8.524 19.325 691 H HIS 85 H HIS 85 14.250 -1.343 21.990 692 HA HIS 85 HA HIS 85 16.735 -0.067 22.411 693 HB2 HIS 85 2HB HIS 85 14.768 1.224 21.748 694 HB3 HIS 85 3HB HIS 85 13.902 0.749 23.206 695 HD1 HIS 85 HD1 HIS 85 13.786 2.615 24.817 696 HD2 HIS 85 HD2 HIS 85 17.322 2.755 22.629 697 HE1 HIS 85 HE1 HIS 85 15.016 4.632 25.655 698 HE2 HIS 85 HE2 HIS 85 17.204 4.619 24.417 699 H HIS 86 H HIS 86 18.003 -1.082 23.923 700 HA HIS 86 HA HIS 86 17.195 -0.945 26.770 701 HB2 HIS 86 2HB HIS 86 18.663 -3.250 25.416 702 HB3 HIS 86 3HB HIS 86 18.527 -3.066 27.159 703 HD1 HIS 86 HD1 HIS 86 17.186 -5.086 24.710 704 HD2 HIS 86 HD2 HIS 86 15.441 -2.825 27.726 705 HE1 HIS 86 HE1 HIS 86 14.954 -6.153 25.146 706 HE2 HIS 86 HE2 HIS 86 13.951 -4.809 27.016 707 H HIS 87 H HIS 87 18.878 -0.503 28.228 708 HA HIS 87 HA HIS 87 21.656 -0.444 27.251 709 HB2 HIS 87 2HB HIS 87 22.150 1.666 28.465 710 HB3 HIS 87 3HB HIS 87 20.987 1.920 27.174 711 HD1 HIS 87 HD1 HIS 87 21.476 2.374 30.786 712 HD2 HIS 87 HD2 HIS 87 18.279 2.391 28.122 713 HE1 HIS 87 HE1 HIS 87 19.600 3.527 31.993 714 HE2 HIS 87 HE2 HIS 87 17.703 3.582 30.341 715 H HIS 88 H HIS 88 19.889 -2.201 28.782 716 HA HIS 88 HA HIS 88 21.776 -3.020 30.785 717 HB2 HIS 88 2HB HIS 88 20.376 -1.418 32.100 718 HB3 HIS 88 3HB HIS 88 18.925 -2.296 31.640 719 HD1 HIS 88 HD1 HIS 88 18.512 -4.590 32.801 720 HD2 HIS 88 HD2 HIS 88 21.894 -2.591 34.155 721 HE1 HIS 88 HE1 HIS 88 19.206 -5.785 34.895 722 HE2 HIS 88 HE2 HIS 88 21.127 -4.443 35.796 Start of MODEL 7 1 H1 MET 1 1H MET 1 12.194 6.045 15.500 2 H2 MET 1 2H MET 1 11.698 7.580 16.009 3 H3 MET 1 3H MET 1 12.932 7.423 14.866 4 HA MET 1 HA MET 1 10.134 6.578 14.457 5 HB2 MET 1 2HB MET 1 9.919 8.507 12.927 6 HB3 MET 1 3HB MET 1 10.321 9.045 14.548 7 HG2 MET 1 2HG MET 1 12.587 9.539 13.914 8 HG3 MET 1 3HG MET 1 12.386 8.751 12.352 9 HE1 MET 1 3HE MET 1 10.324 12.753 13.449 10 HE2 MET 1 1HE MET 1 11.359 11.868 14.566 11 HE3 MET 1 2HE MET 1 9.783 11.214 14.116 12 H GLY 2 H GLY 2 9.818 6.622 11.904 13 HA2 GLY 2 2HA GLY 2 11.900 6.056 10.127 14 HA3 GLY 2 3HA GLY 2 11.335 4.517 10.778 15 H GLU 3 H GLU 3 11.139 5.283 8.052 16 HA GLU 3 HA GLU 3 8.354 5.860 7.464 17 HB2 GLU 3 2HB GLU 3 8.946 5.452 5.127 18 HB3 GLU 3 3HB GLU 3 10.156 6.494 5.874 19 HG2 GLU 3 2HG GLU 3 11.705 4.611 6.087 20 HG3 GLU 3 3HG GLU 3 10.489 3.505 5.448 21 H MET 4 H MET 4 7.143 4.272 6.024 22 HA MET 4 HA MET 4 7.553 1.443 6.833 23 HB2 MET 4 2HB MET 4 5.437 2.402 7.705 24 HB3 MET 4 3HB MET 4 4.971 2.900 6.076 25 HG2 MET 4 2HG MET 4 4.864 0.546 5.392 26 HG3 MET 4 3HG MET 4 5.362 0.055 7.019 27 HE1 MET 4 3HE MET 4 2.844 -1.278 5.970 28 HE2 MET 4 1HE MET 4 1.709 -1.006 7.289 29 HE3 MET 4 2HE MET 4 3.385 -1.409 7.647 30 H ASP 5 H ASP 5 7.499 -0.149 5.142 31 HA ASP 5 HA ASP 5 7.231 0.823 2.366 32 HB2 ASP 5 2HB ASP 5 9.532 0.032 2.782 33 HB3 ASP 5 3HB ASP 5 8.931 -1.466 3.481 34 H ILE 6 H ILE 6 5.567 -0.094 1.305 35 HA ILE 6 HA ILE 6 4.201 -2.496 2.363 36 HB ILE 6 HB ILE 6 2.826 -0.035 1.156 37 HG12 ILE 6 2HG1 ILE 6 2.870 -0.863 4.096 38 HG13 ILE 6 3HG1 ILE 6 3.854 0.427 3.420 39 HG21 ILE 6 1HG2 ILE 6 1.613 -2.139 0.773 40 HG22 ILE 6 2HG2 ILE 6 0.734 -1.121 1.917 41 HG23 ILE 6 3HG2 ILE 6 1.665 -2.505 2.499 42 HD11 ILE 6 3HD1 ILE 6 1.800 1.616 2.783 43 HD12 ILE 6 1HD1 ILE 6 1.967 1.355 4.518 44 HD13 ILE 6 2HD1 ILE 6 0.857 0.354 3.584 45 H ARG 7 H ARG 7 4.420 -3.993 0.827 46 HA ARG 7 HA ARG 7 4.802 -3.146 -1.978 47 HB2 ARG 7 2HB ARG 7 6.897 -3.837 -0.519 48 HB3 ARG 7 3HB ARG 7 6.329 -5.488 -0.770 49 HG2 ARG 7 2HG ARG 7 6.524 -5.252 -3.176 50 HG3 ARG 7 3HG ARG 7 6.878 -3.533 -3.019 51 HD2 ARG 7 2HD ARG 7 8.974 -4.198 -1.725 52 HD3 ARG 7 3HD ARG 7 8.648 -5.865 -2.236 53 HE ARG 7 HE ARG 7 8.583 -4.801 -4.582 54 HH11 ARG 7 1HH1 ARG 7 10.795 -3.819 -2.038 55 HH12 ARG 7 2HH1 ARG 7 12.019 -3.280 -3.138 56 HH21 ARG 7 1HH2 ARG 7 10.133 -4.035 -6.014 57 HH22 ARG 7 2HH2 ARG 7 11.641 -3.400 -5.416 58 H PHE 8 H PHE 8 3.525 -4.078 -3.366 59 HA PHE 8 HA PHE 8 1.796 -6.353 -2.592 60 HB2 PHE 8 2HB PHE 8 1.372 -4.020 -4.522 61 HB3 PHE 8 3HB PHE 8 0.326 -5.433 -4.513 62 HD1 PHE 8 HD1 PHE 8 1.321 -2.407 -2.608 63 HD2 PHE 8 HD2 PHE 8 -1.317 -5.773 -2.756 64 HE1 PHE 8 HE1 PHE 8 -0.104 -1.380 -0.887 65 HE2 PHE 8 HE2 PHE 8 -2.734 -4.741 -1.038 66 HZ PHE 8 HZ PHE 8 -2.131 -2.540 -0.097 67 H ARG 9 H ARG 9 1.545 -8.032 -4.060 68 HA ARG 9 HA ARG 9 2.950 -8.058 -6.627 69 HB2 ARG 9 2HB ARG 9 3.429 -9.986 -4.327 70 HB3 ARG 9 3HB ARG 9 3.518 -10.602 -5.973 71 HG2 ARG 9 2HG ARG 9 5.287 -8.961 -6.499 72 HG3 ARG 9 3HG ARG 9 5.192 -8.331 -4.854 73 HD2 ARG 9 2HD ARG 9 5.943 -10.477 -3.953 74 HD3 ARG 9 3HD ARG 9 5.935 -11.185 -5.572 75 HE ARG 9 HE ARG 9 7.664 -8.869 -5.027 76 HH11 ARG 9 1HH1 ARG 9 7.373 -12.291 -5.797 77 HH12 ARG 9 2HH1 ARG 9 9.051 -12.471 -6.202 78 HH21 ARG 9 1HH2 ARG 9 9.883 -9.130 -5.537 79 HH22 ARG 9 2HH2 ARG 9 10.463 -10.682 -6.053 80 H GLY 10 H GLY 10 1.862 -9.194 -8.163 81 HA2 GLY 10 2HA GLY 10 -0.236 -11.056 -7.679 82 HA3 GLY 10 3HA GLY 10 -0.901 -9.451 -7.986 83 H ASP 11 H ASP 11 -0.858 -12.074 -9.517 84 HA ASP 11 HA ASP 11 0.608 -11.794 -11.925 85 HB2 ASP 11 2HB ASP 11 -0.395 -13.918 -11.194 86 HB3 ASP 11 3HB ASP 11 -2.012 -13.241 -11.350 87 H ASP 12 H ASP 12 -2.236 -10.236 -10.794 88 HA ASP 12 HA ASP 12 -2.867 -9.057 -13.431 89 HB2 ASP 12 2HB ASP 12 -4.764 -10.188 -12.276 90 HB3 ASP 12 3HB ASP 12 -4.540 -9.148 -10.874 91 H LEU 13 H LEU 13 -1.651 -7.276 -13.688 92 HA LEU 13 HA LEU 13 -0.638 -5.614 -11.616 93 HB2 LEU 13 2HB LEU 13 0.501 -5.891 -13.777 94 HB3 LEU 13 3HB LEU 13 -0.852 -5.144 -14.608 95 HG LEU 13 HG LEU 13 -0.341 -2.971 -13.517 96 HD11 LEU 13 1HD1 LEU 13 1.725 -2.630 -12.246 97 HD12 LEU 13 2HD1 LEU 13 2.054 -4.364 -12.280 98 HD13 LEU 13 3HD1 LEU 13 0.642 -3.746 -11.416 99 HD21 LEU 13 3HD2 LEU 13 2.038 -4.203 -14.935 100 HD22 LEU 13 1HD2 LEU 13 1.725 -2.474 -14.742 101 HD23 LEU 13 2HD2 LEU 13 0.628 -3.464 -15.702 102 H GLU 14 H GLU 14 -3.661 -5.623 -13.368 103 HA GLU 14 HA GLU 14 -4.547 -2.961 -12.917 104 HB2 GLU 14 2HB GLU 14 -6.007 -5.564 -13.417 105 HB3 GLU 14 3HB GLU 14 -6.942 -4.197 -12.818 106 HG2 GLU 14 2HG GLU 14 -6.168 -2.856 -14.751 107 HG3 GLU 14 3HG GLU 14 -5.340 -4.278 -15.389 108 H ALA 15 H ALA 15 -4.751 -5.904 -10.983 109 HA ALA 15 HA ALA 15 -6.288 -4.929 -8.828 110 HB1 ALA 15 3HB ALA 15 -5.998 -7.314 -9.286 111 HB2 ALA 15 1HB ALA 15 -5.420 -6.949 -7.659 112 HB3 ALA 15 2HB ALA 15 -4.265 -7.196 -8.970 113 H LEU 16 H LEU 16 -2.822 -4.929 -9.505 114 HA LEU 16 HA LEU 16 -1.935 -4.075 -6.933 115 HB2 LEU 16 2HB LEU 16 -0.530 -3.832 -9.625 116 HB3 LEU 16 3HB LEU 16 0.234 -3.650 -8.051 117 HG LEU 16 HG LEU 16 -0.965 -6.218 -9.166 118 HD11 LEU 16 1HD1 LEU 16 1.150 -5.631 -10.236 119 HD12 LEU 16 2HD1 LEU 16 1.340 -7.048 -9.208 120 HD13 LEU 16 3HD1 LEU 16 1.932 -5.475 -8.660 121 HD21 LEU 16 3HD2 LEU 16 -0.110 -7.322 -7.163 122 HD22 LEU 16 1HD2 LEU 16 -1.295 -6.092 -6.739 123 HD23 LEU 16 2HD2 LEU 16 0.427 -5.773 -6.508 124 H GLU 17 H GLU 17 -2.771 -2.386 -9.942 125 HA GLU 17 HA GLU 17 -1.909 0.218 -9.035 126 HB2 GLU 17 2HB GLU 17 -3.593 -0.617 -11.435 127 HB3 GLU 17 3HB GLU 17 -3.039 1.033 -11.134 128 HG2 GLU 17 2HG GLU 17 -0.696 0.307 -11.300 129 HG3 GLU 17 3HG GLU 17 -1.224 -1.362 -11.525 130 H LYS 18 H LYS 18 -4.963 -1.522 -9.111 131 HA LYS 18 HA LYS 18 -6.698 0.602 -8.335 132 HB2 LYS 18 2HB LYS 18 -6.897 -2.429 -8.115 133 HB3 LYS 18 3HB LYS 18 -8.191 -1.373 -7.560 134 HG2 LYS 18 2HG LYS 18 -8.711 -0.641 -9.762 135 HG3 LYS 18 3HG LYS 18 -7.188 -1.242 -10.425 136 HD2 LYS 18 2HD LYS 18 -7.896 -3.528 -10.234 137 HD3 LYS 18 3HD LYS 18 -9.282 -3.100 -9.247 138 HE2 LYS 18 2HE LYS 18 -9.986 -3.682 -11.509 139 HE3 LYS 18 3HE LYS 18 -10.327 -1.986 -11.182 140 HZ1 LYS 18 3HZ LYS 18 -8.458 -1.343 -12.486 141 HZ2 LYS 18 1HZ LYS 18 -9.378 -2.425 -13.404 142 HZ3 LYS 18 2HZ LYS 18 -7.945 -2.940 -12.670 143 H ALA 19 H ALA 19 -4.947 -1.925 -6.527 144 HA ALA 19 HA ALA 19 -5.572 -1.122 -3.889 145 HB1 ALA 19 3HB ALA 19 -4.534 -3.299 -4.422 146 HB2 ALA 19 1HB ALA 19 -3.591 -2.421 -3.213 147 HB3 ALA 19 2HB ALA 19 -3.045 -2.477 -4.892 148 H LEU 20 H LEU 20 -2.889 -0.263 -6.029 149 HA LEU 20 HA LEU 20 -1.319 1.380 -4.454 150 HB2 LEU 20 2HB LEU 20 -0.635 0.645 -6.669 151 HB3 LEU 20 3HB LEU 20 -1.958 1.512 -7.419 152 HG LEU 20 HG LEU 20 -0.888 3.677 -6.831 153 HD11 LEU 20 1HD1 LEU 20 1.395 3.776 -5.985 154 HD12 LEU 20 2HD1 LEU 20 1.409 2.027 -5.752 155 HD13 LEU 20 3HD1 LEU 20 0.310 3.039 -4.810 156 HD21 LEU 20 3HD2 LEU 20 -0.468 2.647 -9.016 157 HD22 LEU 20 1HD2 LEU 20 0.939 1.801 -8.362 158 HD23 LEU 20 2HD2 LEU 20 0.927 3.565 -8.457 159 H LYS 21 H LYS 21 -4.086 2.307 -6.496 160 HA LYS 21 HA LYS 21 -4.018 5.082 -6.117 161 HB2 LYS 21 2HB LYS 21 -5.357 3.949 -7.885 162 HB3 LYS 21 3HB LYS 21 -6.436 3.301 -6.652 163 HG2 LYS 21 2HG LYS 21 -7.040 5.672 -6.022 164 HG3 LYS 21 3HG LYS 21 -6.060 6.230 -7.380 165 HD2 LYS 21 2HD LYS 21 -8.434 6.184 -8.001 166 HD3 LYS 21 3HD LYS 21 -7.540 4.994 -8.951 167 HE2 LYS 21 2HE LYS 21 -8.377 3.183 -7.569 168 HE3 LYS 21 3HE LYS 21 -9.124 4.321 -6.443 169 HZ1 LYS 21 3HZ LYS 21 -10.803 3.457 -7.870 170 HZ2 LYS 21 1HZ LYS 21 -9.914 3.823 -9.266 171 HZ3 LYS 21 2HZ LYS 21 -10.548 5.067 -8.316 172 H GLU 22 H GLU 22 -5.516 2.491 -4.240 173 HA GLU 22 HA GLU 22 -6.914 4.238 -2.436 174 HB2 GLU 22 2HB GLU 22 -6.300 1.275 -2.150 175 HB3 GLU 22 3HB GLU 22 -7.460 2.188 -1.192 176 HG2 GLU 22 2HG GLU 22 -7.638 1.622 -4.163 177 HG3 GLU 22 3HG GLU 22 -8.586 0.852 -2.895 178 H MET 23 H MET 23 -3.758 2.509 -2.316 179 HA MET 23 HA MET 23 -3.193 3.134 0.405 180 HB2 MET 23 2HB MET 23 -1.266 2.507 -1.871 181 HB3 MET 23 3HB MET 23 -0.825 2.567 -0.166 182 HG2 MET 23 2HG MET 23 -2.722 0.612 -1.471 183 HG3 MET 23 3HG MET 23 -1.110 0.270 -0.851 184 HE1 MET 23 3HE MET 23 -1.159 1.869 1.989 185 HE2 MET 23 1HE MET 23 -0.515 0.244 1.736 186 HE3 MET 23 2HE MET 23 -1.681 0.540 3.026 187 H ILE 24 H ILE 24 -2.546 4.849 -2.630 188 HA ILE 24 HA ILE 24 -1.063 7.025 -1.511 189 HB ILE 24 HB ILE 24 -2.729 6.909 -4.080 190 HG12 ILE 24 2HG1 ILE 24 0.294 6.619 -3.717 191 HG13 ILE 24 3HG1 ILE 24 -0.814 5.292 -4.036 192 HG21 ILE 24 1HG2 ILE 24 -2.420 9.245 -3.369 193 HG22 ILE 24 2HG2 ILE 24 -1.482 8.909 -4.824 194 HG23 ILE 24 3HG2 ILE 24 -0.675 8.996 -3.258 195 HD11 ILE 24 3HD1 ILE 24 -1.363 6.287 -6.214 196 HD12 ILE 24 1HD1 ILE 24 0.355 5.927 -6.043 197 HD13 ILE 24 2HD1 ILE 24 -0.211 7.590 -5.899 198 H ARG 25 H ARG 25 -4.484 6.427 -2.223 199 HA ARG 25 HA ARG 25 -5.706 8.828 -1.513 200 HB2 ARG 25 2HB ARG 25 -6.815 6.907 -2.638 201 HB3 ARG 25 3HB ARG 25 -6.708 5.967 -1.160 202 HG2 ARG 25 2HG ARG 25 -8.285 7.554 -0.063 203 HG3 ARG 25 3HG ARG 25 -8.408 8.448 -1.583 204 HD2 ARG 25 2HD ARG 25 -9.198 6.288 -2.681 205 HD3 ARG 25 3HD ARG 25 -9.273 5.575 -1.066 206 HE ARG 25 HE ARG 25 -10.781 7.931 -1.025 207 HH11 ARG 25 1HH1 ARG 25 -10.946 4.761 -2.596 208 HH12 ARG 25 2HH1 ARG 25 -12.679 4.786 -2.717 209 HH21 ARG 25 1HH2 ARG 25 -13.046 7.932 -1.199 210 HH22 ARG 25 2HH2 ARG 25 -13.866 6.583 -1.926 211 H GLN 26 H GLN 26 -4.733 6.068 0.498 212 HA GLN 26 HA GLN 26 -5.690 7.063 2.986 213 HB2 GLN 26 2HB GLN 26 -3.498 5.016 2.435 214 HB3 GLN 26 3HB GLN 26 -4.204 5.337 4.018 215 HG2 GLN 26 2HG GLN 26 -5.605 4.173 1.606 216 HG3 GLN 26 3HG GLN 26 -5.201 3.343 3.102 217 HE21 GLN 26 1HE2 GLN 26 -7.795 3.873 1.707 218 HE22 GLN 26 2HE2 GLN 26 -8.812 4.577 2.911 219 H ALA 27 H ALA 27 -2.432 7.005 1.534 220 HA ALA 27 HA ALA 27 -1.041 8.360 3.548 221 HB1 ALA 27 3HB ALA 27 0.055 7.131 1.715 222 HB2 ALA 27 1HB ALA 27 0.675 8.778 1.839 223 HB3 ALA 27 2HB ALA 27 -0.470 8.360 0.561 224 H ARG 28 H ARG 28 -3.120 9.621 1.017 225 HA ARG 28 HA ARG 28 -2.279 12.368 1.273 226 HB2 ARG 28 2HB ARG 28 -4.625 11.116 -0.203 227 HB3 ARG 28 3HB ARG 28 -4.277 12.843 -0.217 228 HG2 ARG 28 2HG ARG 28 -2.006 12.286 -1.221 229 HG3 ARG 28 3HG ARG 28 -2.556 10.622 -1.363 230 HD2 ARG 28 2HD ARG 28 -3.895 13.017 -2.671 231 HD3 ARG 28 3HD ARG 28 -2.827 11.874 -3.489 232 HE ARG 28 HE ARG 28 -4.577 10.141 -2.785 233 HH11 ARG 28 1HH1 ARG 28 -5.409 13.466 -3.664 234 HH12 ARG 28 2HH1 ARG 28 -7.006 13.050 -4.203 235 HH21 ARG 28 1HH2 ARG 28 -6.668 9.621 -3.488 236 HH22 ARG 28 2HH2 ARG 28 -7.716 10.860 -4.100 237 H LYS 29 H LYS 29 -5.135 10.465 2.386 238 HA LYS 29 HA LYS 29 -6.408 12.735 3.633 239 HB2 LYS 29 2HB LYS 29 -7.971 11.113 4.664 240 HB3 LYS 29 3HB LYS 29 -7.817 10.877 2.929 241 HG2 LYS 29 2HG LYS 29 -6.467 8.918 3.224 242 HG3 LYS 29 3HG LYS 29 -6.294 9.204 4.951 243 HD2 LYS 29 2HD LYS 29 -9.031 8.731 3.726 244 HD3 LYS 29 3HD LYS 29 -7.972 7.375 4.119 245 HE2 LYS 29 2HE LYS 29 -9.478 7.712 5.964 246 HE3 LYS 29 3HE LYS 29 -7.869 8.207 6.482 247 HZ1 LYS 29 3HZ LYS 29 -9.442 9.798 7.253 248 HZ2 LYS 29 1HZ LYS 29 -10.134 9.968 5.723 249 HZ3 LYS 29 2HZ LYS 29 -8.572 10.533 6.009 250 H PHE 30 H PHE 30 -4.113 10.326 4.716 251 HA PHE 30 HA PHE 30 -4.174 11.083 7.508 252 HB2 PHE 30 2HB PHE 30 -2.214 9.407 5.867 253 HB3 PHE 30 3HB PHE 30 -2.006 9.704 7.588 254 HD1 PHE 30 HD1 PHE 30 -4.649 9.335 8.739 255 HD2 PHE 30 HD2 PHE 30 -2.777 7.127 5.596 256 HE1 PHE 30 HE1 PHE 30 -6.000 7.365 9.293 257 HE2 PHE 30 HE2 PHE 30 -4.145 5.164 6.154 258 HZ PHE 30 HZ PHE 30 -5.758 5.284 8.005 259 H ALA 31 H ALA 31 -2.757 12.257 4.629 260 HA ALA 31 HA ALA 31 -1.481 13.971 4.036 261 HB1 ALA 31 3HB ALA 31 -2.912 15.296 5.542 262 HB2 ALA 31 1HB ALA 31 -1.266 15.928 5.479 263 HB3 ALA 31 2HB ALA 31 -1.799 14.988 6.876 264 H GLY 32 H GLY 32 0.107 12.340 3.759 265 HA2 GLY 32 2HA GLY 32 2.570 12.863 5.336 266 HA3 GLY 32 3HA GLY 32 2.083 11.227 4.899 267 H THR 33 H THR 33 4.107 11.063 3.817 268 HA THR 33 HA THR 33 4.131 12.197 1.073 269 HB THR 33 HB THR 33 6.471 11.188 2.778 270 HG1 THR 33 HG1 THR 33 5.690 13.815 1.981 271 HG21 THR 33 3HG2 THR 33 6.515 12.457 0.012 272 HG22 THR 33 1HG2 THR 33 6.884 10.766 0.374 273 HG23 THR 33 2HG2 THR 33 7.931 12.049 0.982 274 H VAL 34 H VAL 34 4.248 10.685 -0.638 275 HA VAL 34 HA VAL 34 4.474 7.824 -0.056 276 HB VAL 34 HB VAL 34 2.077 8.229 0.130 277 HG11 VAL 34 1HG1 VAL 34 1.873 10.322 -1.109 278 HG12 VAL 34 2HG1 VAL 34 0.687 9.143 -1.676 279 HG13 VAL 34 3HG1 VAL 34 2.136 9.469 -2.632 280 HG21 VAL 34 3HG2 VAL 34 1.180 6.704 -1.593 281 HG22 VAL 34 1HG2 VAL 34 2.697 6.106 -0.912 282 HG23 VAL 34 2HG2 VAL 34 2.682 6.855 -2.512 283 H THR 35 H THR 35 5.697 6.868 -1.548 284 HA THR 35 HA THR 35 5.975 7.906 -4.297 285 HB THR 35 HB THR 35 8.301 7.333 -2.386 286 HG1 THR 35 HG1 THR 35 7.001 9.644 -3.205 287 HG21 THR 35 3HG2 THR 35 8.891 6.608 -4.671 288 HG22 THR 35 1HG2 THR 35 9.787 8.064 -4.226 289 HG23 THR 35 2HG2 THR 35 8.397 8.178 -5.308 290 H TYR 36 H TYR 36 6.163 6.192 -5.779 291 HA TYR 36 HA TYR 36 6.263 3.448 -4.666 292 HB2 TYR 36 2HB TYR 36 4.272 2.789 -5.946 293 HB3 TYR 36 3HB TYR 36 3.887 4.086 -4.826 294 HD1 TYR 36 HD2 TYR 36 3.313 6.371 -5.692 295 HD2 TYR 36 HD1 TYR 36 4.121 3.138 -8.382 296 HE1 TYR 36 HE2 TYR 36 2.269 7.629 -7.526 297 HE2 TYR 36 HE1 TYR 36 3.075 4.405 -10.206 298 HH TYR 36 HH TYR 36 2.330 7.702 -9.994 299 H THR 37 H THR 37 6.801 1.822 -6.079 300 HA THR 37 HA THR 37 8.031 2.542 -8.670 301 HB THR 37 HB THR 37 8.934 0.331 -6.756 302 HG1 THR 37 HG1 THR 37 9.948 1.871 -5.741 303 HG21 THR 37 3HG2 THR 37 10.280 1.478 -9.236 304 HG22 THR 37 1HG2 THR 37 9.508 -0.110 -9.126 305 HG23 THR 37 2HG2 THR 37 10.953 0.241 -8.175 306 H LEU 38 H LEU 38 6.559 1.817 -10.159 307 HA LEU 38 HA LEU 38 5.310 -0.830 -9.953 308 HB2 LEU 38 2HB LEU 38 5.122 1.437 -11.975 309 HB3 LEU 38 3HB LEU 38 4.416 -0.137 -12.299 310 HG LEU 38 HG LEU 38 3.629 1.627 -9.940 311 HD11 LEU 38 1HD1 LEU 38 2.152 1.215 -12.563 312 HD12 LEU 38 2HD1 LEU 38 2.971 2.692 -12.047 313 HD13 LEU 38 3HD1 LEU 38 1.565 2.114 -11.158 314 HD21 LEU 38 3HD2 LEU 38 2.370 -0.920 -11.011 315 HD22 LEU 38 1HD2 LEU 38 1.737 0.085 -9.701 316 HD23 LEU 38 2HD2 LEU 38 3.278 -0.746 -9.502 317 H ASP 39 H ASP 39 6.558 -2.545 -10.489 318 HA ASP 39 HA ASP 39 8.239 -2.466 -12.917 319 HB2 ASP 39 2HB ASP 39 9.726 -1.981 -10.947 320 HB3 ASP 39 3HB ASP 39 9.222 -3.495 -10.207 321 H GLY 40 H GLY 40 6.768 -3.748 -13.954 322 HA2 GLY 40 2HA GLY 40 5.925 -5.698 -14.790 323 HA3 GLY 40 3HA GLY 40 6.970 -6.571 -13.681 324 H ASN 41 H ASN 41 5.936 -7.772 -12.207 325 HA ASN 41 HA ASN 41 3.117 -7.186 -11.474 326 HB2 ASN 41 2HB ASN 41 4.660 -9.820 -11.463 327 HB3 ASN 41 3HB ASN 41 3.019 -9.627 -10.855 328 HD21 ASN 41 1HD2 ASN 41 1.338 -9.219 -12.314 329 HD22 ASN 41 2HD2 ASN 41 1.483 -9.581 -13.998 330 H ASP 42 H ASP 42 5.597 -6.023 -10.317 331 HA ASP 42 HA ASP 42 5.031 -6.590 -7.472 332 HB2 ASP 42 2HB ASP 42 7.134 -7.730 -7.931 333 HB3 ASP 42 3HB ASP 42 7.779 -6.333 -8.778 334 H LEU 43 H LEU 43 4.745 -4.793 -6.281 335 HA LEU 43 HA LEU 43 5.339 -2.117 -7.390 336 HB2 LEU 43 2HB LEU 43 3.018 -2.379 -7.829 337 HB3 LEU 43 3HB LEU 43 2.738 -3.269 -6.343 338 HG LEU 43 HG LEU 43 3.057 -1.135 -5.049 339 HD11 LEU 43 1HD1 LEU 43 3.063 0.256 -7.730 340 HD12 LEU 43 2HD1 LEU 43 4.420 0.150 -6.610 341 HD13 LEU 43 3HD1 LEU 43 2.967 1.033 -6.149 342 HD21 LEU 43 3HD2 LEU 43 0.843 -1.984 -5.586 343 HD22 LEU 43 1HD2 LEU 43 0.845 -1.087 -7.107 344 HD23 LEU 43 2HD2 LEU 43 0.861 -0.223 -5.566 345 H GLU 44 H GLU 44 6.751 -1.232 -6.013 346 HA GLU 44 HA GLU 44 6.709 -1.669 -3.116 347 HB2 GLU 44 2HB GLU 44 8.876 -1.596 -4.282 348 HB3 GLU 44 3HB GLU 44 8.495 -0.020 -4.966 349 HG2 GLU 44 2HG GLU 44 8.500 0.935 -2.653 350 HG3 GLU 44 3HG GLU 44 9.004 -0.636 -2.038 351 H ILE 45 H ILE 45 5.742 -0.209 -1.690 352 HA ILE 45 HA ILE 45 5.201 2.587 -2.613 353 HB ILE 45 HB ILE 45 3.334 0.958 -0.804 354 HG12 ILE 45 2HG1 ILE 45 2.861 1.813 -3.702 355 HG13 ILE 45 3HG1 ILE 45 3.269 0.182 -3.189 356 HG21 ILE 45 1HG2 ILE 45 2.981 3.754 -1.952 357 HG22 ILE 45 2HG2 ILE 45 3.306 3.354 -0.265 358 HG23 ILE 45 3HG2 ILE 45 1.777 2.874 -1.002 359 HD11 ILE 45 3HD1 ILE 45 1.173 0.034 -1.951 360 HD12 ILE 45 1HD1 ILE 45 0.913 0.388 -3.656 361 HD13 ILE 45 2HD1 ILE 45 0.748 1.671 -2.460 362 H ARG 46 H ARG 46 6.501 3.875 -1.419 363 HA ARG 46 HA ARG 46 7.318 3.136 1.321 364 HB2 ARG 46 2HB ARG 46 8.620 5.021 -0.706 365 HB3 ARG 46 3HB ARG 46 9.217 4.721 0.923 366 HG2 ARG 46 2HG ARG 46 9.663 2.366 0.342 367 HG3 ARG 46 3HG ARG 46 9.039 2.647 -1.287 368 HD2 ARG 46 2HD ARG 46 11.505 2.689 -1.242 369 HD3 ARG 46 3HD ARG 46 10.844 4.252 -1.730 370 HE ARG 46 HE ARG 46 11.214 4.479 0.973 371 HH11 ARG 46 1HH1 ARG 46 13.385 3.679 -1.700 372 HH12 ARG 46 2HH1 ARG 46 14.777 4.348 -0.913 373 HH21 ARG 46 1HH2 ARG 46 13.056 5.360 1.962 374 HH22 ARG 46 2HH2 ARG 46 14.591 5.300 1.153 375 H ILE 47 H ILE 47 5.924 4.110 2.700 376 HA ILE 47 HA ILE 47 4.998 6.876 2.182 377 HB ILE 47 HB ILE 47 3.754 4.784 4.034 378 HG12 ILE 47 2HG1 ILE 47 2.855 5.766 1.280 379 HG13 ILE 47 3HG1 ILE 47 3.503 4.172 1.639 380 HG21 ILE 47 1HG2 ILE 47 2.715 7.528 3.218 381 HG22 ILE 47 2HG2 ILE 47 3.347 7.100 4.809 382 HG23 ILE 47 3HG2 ILE 47 1.858 6.358 4.228 383 HD11 ILE 47 3HD1 ILE 47 1.537 3.697 3.022 384 HD12 ILE 47 1HD1 ILE 47 1.117 4.087 1.357 385 HD13 ILE 47 2HD1 ILE 47 0.879 5.287 2.626 386 H THR 48 H THR 48 6.018 8.400 3.293 387 HA THR 48 HA THR 48 7.401 7.799 5.846 388 HB THR 48 HB THR 48 8.238 9.808 3.692 389 HG1 THR 48 HG1 THR 48 8.593 7.129 3.806 390 HG21 THR 48 3HG2 THR 48 10.387 9.912 4.893 391 HG22 THR 48 1HG2 THR 48 9.791 8.782 6.106 392 HG23 THR 48 2HG2 THR 48 9.069 10.389 5.969 393 H GLY 49 H GLY 49 7.437 9.538 7.398 394 HA2 GLY 49 2HA GLY 49 7.024 11.685 8.226 395 HA3 GLY 49 3HA GLY 49 5.966 12.026 6.866 396 H VAL 50 H VAL 50 4.404 9.565 7.167 397 HA VAL 50 HA VAL 50 2.486 10.308 9.104 398 HB VAL 50 HB VAL 50 1.403 8.118 8.664 399 HG11 VAL 50 1HG1 VAL 50 0.964 8.389 6.250 400 HG12 VAL 50 2HG1 VAL 50 2.373 9.442 6.102 401 HG13 VAL 50 3HG1 VAL 50 0.989 9.949 7.075 402 HG21 VAL 50 3HG2 VAL 50 2.348 6.473 7.091 403 HG22 VAL 50 1HG2 VAL 50 3.395 6.676 8.496 404 HG23 VAL 50 2HG2 VAL 50 3.828 7.428 6.960 405 HA PRO 51 HA PRO 51 4.717 8.842 12.782 406 HB2 PRO 51 2HB PRO 51 2.510 8.748 14.522 407 HB3 PRO 51 3HB PRO 51 3.452 10.206 14.156 408 HG2 PRO 51 2HG PRO 51 0.843 9.310 12.998 409 HG3 PRO 51 3HG PRO 51 1.368 10.943 13.466 410 HD2 PRO 51 2HD PRO 51 1.328 10.164 10.882 411 HD3 PRO 51 3HD PRO 51 2.590 11.262 11.493 412 H GLU 52 H GLU 52 4.748 6.929 14.234 413 HA GLU 52 HA GLU 52 4.522 4.620 12.640 414 HB2 GLU 52 2HB GLU 52 6.270 4.925 14.366 415 HB3 GLU 52 3HB GLU 52 5.059 4.755 15.634 416 HG2 GLU 52 2HG GLU 52 4.650 2.434 14.994 417 HG3 GLU 52 3HG GLU 52 5.709 2.600 13.592 418 H GLN 53 H GLN 53 2.370 5.883 15.114 419 HA GLN 53 HA GLN 53 0.643 3.694 15.431 420 HB2 GLN 53 2HB GLN 53 -1.071 5.329 16.126 421 HB3 GLN 53 3HB GLN 53 0.486 5.664 16.871 422 HG2 GLN 53 2HG GLN 53 0.861 7.579 15.501 423 HG3 GLN 53 3HG GLN 53 -0.426 7.135 14.383 424 HE21 GLN 53 1HE2 GLN 53 -2.605 7.473 15.016 425 HE22 GLN 53 2HE2 GLN 53 -3.015 8.582 16.279 426 H VAL 54 H VAL 54 0.726 6.212 12.946 427 HA VAL 54 HA VAL 54 -1.635 5.320 11.553 428 HB VAL 54 HB VAL 54 0.506 7.367 10.802 429 HG11 VAL 54 1HG1 VAL 54 -1.066 8.186 9.076 430 HG12 VAL 54 2HG1 VAL 54 -2.153 6.838 9.425 431 HG13 VAL 54 3HG1 VAL 54 -0.552 6.531 8.750 432 HG21 VAL 54 3HG2 VAL 54 -2.316 7.754 11.873 433 HG22 VAL 54 1HG2 VAL 54 -1.218 9.051 11.384 434 HG23 VAL 54 2HG2 VAL 54 -0.817 8.028 12.766 435 H ARG 55 H ARG 55 1.871 4.846 11.231 436 HA ARG 55 HA ARG 55 1.992 3.516 8.757 437 HB2 ARG 55 2HB ARG 55 3.670 3.219 11.283 438 HB3 ARG 55 3HB ARG 55 4.029 2.310 9.818 439 HG2 ARG 55 2HG ARG 55 4.492 4.323 8.581 440 HG3 ARG 55 3HG ARG 55 3.916 5.340 9.907 441 HD2 ARG 55 2HD ARG 55 6.409 5.226 9.734 442 HD3 ARG 55 3HD ARG 55 5.781 4.704 11.297 443 HE ARG 55 HE ARG 55 6.405 2.652 9.285 444 HH11 ARG 55 1HH1 ARG 55 7.339 4.222 12.302 445 HH12 ARG 55 2HH1 ARG 55 8.447 2.966 12.759 446 HH21 ARG 55 1HH2 ARG 55 7.894 1.030 9.901 447 HH22 ARG 55 2HH2 ARG 55 8.755 1.177 11.405 448 H LYS 56 H LYS 56 1.338 2.285 12.027 449 HA LYS 56 HA LYS 56 0.953 -0.431 11.439 450 HB2 LYS 56 2HB LYS 56 -0.369 1.297 13.566 451 HB3 LYS 56 3HB LYS 56 -0.431 -0.465 13.543 452 HG2 LYS 56 2HG LYS 56 1.923 -0.653 13.943 453 HG3 LYS 56 3HG LYS 56 2.184 1.070 13.650 454 HD2 LYS 56 2HD LYS 56 0.829 1.598 15.683 455 HD3 LYS 56 3HD LYS 56 0.635 -0.131 15.988 456 HE2 LYS 56 2HE LYS 56 3.103 -0.335 16.228 457 HE3 LYS 56 3HE LYS 56 3.256 1.406 15.979 458 HZ1 LYS 56 3HZ LYS 56 2.036 1.814 17.977 459 HZ2 LYS 56 1HZ LYS 56 3.274 0.724 18.341 460 HZ3 LYS 56 2HZ LYS 56 1.684 0.175 18.182 461 H GLU 57 H GLU 57 -1.300 2.314 11.276 462 HA GLU 57 HA GLU 57 -3.654 0.856 10.635 463 HB2 GLU 57 2HB GLU 57 -2.948 3.762 10.025 464 HB3 GLU 57 3HB GLU 57 -4.563 3.063 9.888 465 HG2 GLU 57 2HG GLU 57 -4.578 2.589 12.308 466 HG3 GLU 57 3HG GLU 57 -2.955 3.268 12.453 467 H LEU 58 H LEU 58 -1.101 2.296 8.615 468 HA LEU 58 HA LEU 58 -2.262 1.767 6.081 469 HB2 LEU 58 2HB LEU 58 0.500 2.476 7.036 470 HB3 LEU 58 3HB LEU 58 0.388 1.758 5.450 471 HG LEU 58 HG LEU 58 0.454 4.093 5.086 472 HD11 LEU 58 1HD1 LEU 58 -2.462 3.297 4.823 473 HD12 LEU 58 2HD1 LEU 58 -1.173 2.974 3.660 474 HD13 LEU 58 3HD1 LEU 58 -1.660 4.633 3.988 475 HD21 LEU 58 3HD2 LEU 58 -1.008 5.748 6.138 476 HD22 LEU 58 1HD2 LEU 58 -0.039 4.884 7.330 477 HD23 LEU 58 2HD2 LEU 58 -1.745 4.483 7.129 478 H ALA 59 H ALA 59 -0.511 -0.283 8.318 479 HA ALA 59 HA ALA 59 0.012 -2.482 6.612 480 HB1 ALA 59 3HB ALA 59 0.204 -3.785 8.693 481 HB2 ALA 59 1HB ALA 59 -0.531 -2.462 9.599 482 HB3 ALA 59 2HB ALA 59 1.041 -2.238 8.831 483 H LYS 60 H LYS 60 -2.808 -1.605 8.589 484 HA LYS 60 HA LYS 60 -4.331 -3.962 7.979 485 HB2 LYS 60 2HB LYS 60 -5.084 -1.298 9.222 486 HB3 LYS 60 3HB LYS 60 -6.308 -2.503 8.856 487 HG2 LYS 60 2HG LYS 60 -5.744 -2.649 11.196 488 HG3 LYS 60 3HG LYS 60 -5.152 -4.104 10.389 489 HD2 LYS 60 2HD LYS 60 -2.877 -3.152 10.354 490 HD3 LYS 60 3HD LYS 60 -3.475 -1.686 11.134 491 HE2 LYS 60 2HE LYS 60 -2.361 -3.142 12.747 492 HE3 LYS 60 3HE LYS 60 -4.076 -3.000 13.135 493 HZ1 LYS 60 3HZ LYS 60 -3.240 -5.281 13.324 494 HZ2 LYS 60 1HZ LYS 60 -2.845 -5.284 11.679 495 HZ3 LYS 60 2HZ LYS 60 -4.460 -5.161 12.162 496 H GLU 61 H GLU 61 -3.938 -0.800 6.480 497 HA GLU 61 HA GLU 61 -6.125 -0.924 4.658 498 HB2 GLU 61 2HB GLU 61 -3.497 0.617 4.529 499 HB3 GLU 61 3HB GLU 61 -4.828 0.848 3.399 500 HG2 GLU 61 2HG GLU 61 -4.858 1.407 6.377 501 HG3 GLU 61 3HG GLU 61 -4.850 2.601 5.083 502 H ALA 62 H ALA 62 -2.693 -1.802 4.468 503 HA ALA 62 HA ALA 62 -2.512 -2.836 1.900 504 HB1 ALA 62 3HB ALA 62 -0.585 -2.494 3.384 505 HB2 ALA 62 1HB ALA 62 -0.611 -4.149 2.773 506 HB3 ALA 62 2HB ALA 62 -1.130 -3.809 4.426 507 H GLU 63 H GLU 63 -3.545 -4.470 4.916 508 HA GLU 63 HA GLU 63 -3.929 -7.066 3.858 509 HB2 GLU 63 2HB GLU 63 -5.175 -5.751 6.304 510 HB3 GLU 63 3HB GLU 63 -5.292 -7.471 5.935 511 HG2 GLU 63 2HG GLU 63 -2.852 -7.698 6.127 512 HG3 GLU 63 3HG GLU 63 -2.710 -5.970 6.450 513 H ARG 64 H ARG 64 -6.276 -4.356 4.261 514 HA ARG 64 HA ARG 64 -8.554 -5.954 3.563 515 HB2 ARG 64 2HB ARG 64 -9.821 -3.807 3.365 516 HB3 ARG 64 3HB ARG 64 -9.003 -4.012 4.907 517 HG2 ARG 64 2HG ARG 64 -7.324 -2.408 4.339 518 HG3 ARG 64 3HG ARG 64 -7.844 -2.352 2.655 519 HD2 ARG 64 2HD ARG 64 -9.645 -1.493 4.942 520 HD3 ARG 64 3HD ARG 64 -8.527 -0.386 4.148 521 HE ARG 64 HE ARG 64 -10.879 -1.677 2.907 522 HH11 ARG 64 1HH1 ARG 64 -8.352 0.787 2.768 523 HH12 ARG 64 2HH1 ARG 64 -9.063 1.611 1.417 524 HH21 ARG 64 1HH2 ARG 64 -11.807 -0.554 1.147 525 HH22 ARG 64 2HH2 ARG 64 -11.018 0.849 0.501 526 H LEU 65 H LEU 65 -6.308 -3.959 1.710 527 HA LEU 65 HA LEU 65 -7.821 -4.169 -0.759 528 HB2 LEU 65 2HB LEU 65 -4.932 -3.341 -0.284 529 HB3 LEU 65 3HB LEU 65 -5.819 -3.132 -1.791 530 HG LEU 65 HG LEU 65 -6.508 -1.787 0.853 531 HD11 LEU 65 1HD1 LEU 65 -5.265 -0.596 -1.636 532 HD12 LEU 65 2HD1 LEU 65 -4.449 -0.913 -0.102 533 HD13 LEU 65 3HD1 LEU 65 -5.742 0.279 -0.177 534 HD21 LEU 65 3HD2 LEU 65 -8.129 -0.457 -0.436 535 HD22 LEU 65 1HD2 LEU 65 -8.530 -2.172 -0.453 536 HD23 LEU 65 2HD2 LEU 65 -7.794 -1.425 -1.876 537 H ALA 66 H ALA 66 -5.317 -6.021 0.848 538 HA ALA 66 HA ALA 66 -4.435 -7.642 -1.287 539 HB1 ALA 66 3HB ALA 66 -3.624 -9.163 0.444 540 HB2 ALA 66 1HB ALA 66 -4.633 -8.361 1.653 541 HB3 ALA 66 2HB ALA 66 -3.300 -7.489 0.895 542 H LYS 67 H LYS 67 -7.067 -8.127 1.084 543 HA LYS 67 HA LYS 67 -7.961 -10.630 -0.065 544 HB2 LYS 67 2HB LYS 67 -9.834 -10.470 1.562 545 HB3 LYS 67 3HB LYS 67 -8.268 -10.254 2.331 546 HG2 LYS 67 2HG LYS 67 -8.633 -7.800 2.353 547 HG3 LYS 67 3HG LYS 67 -10.220 -8.034 1.626 548 HD2 LYS 67 2HD LYS 67 -9.365 -9.115 4.345 549 HD3 LYS 67 3HD LYS 67 -10.316 -7.653 4.086 550 HE2 LYS 67 2HE LYS 67 -11.171 -10.473 3.344 551 HE3 LYS 67 3HE LYS 67 -11.750 -9.536 4.722 552 HZ1 LYS 67 3HZ LYS 67 -13.337 -9.408 2.951 553 HZ2 LYS 67 1HZ LYS 67 -12.161 -8.883 1.853 554 HZ3 LYS 67 2HZ LYS 67 -12.625 -7.887 3.134 555 H GLU 68 H GLU 68 -8.631 -7.279 -0.623 556 HA GLU 68 HA GLU 68 -11.242 -7.502 -1.765 557 HB2 GLU 68 2HB GLU 68 -10.339 -5.389 -0.801 558 HB3 GLU 68 3HB GLU 68 -9.128 -5.321 -2.075 559 HG2 GLU 68 2HG GLU 68 -10.973 -3.756 -2.485 560 HG3 GLU 68 3HG GLU 68 -10.864 -4.971 -3.758 561 H PHE 69 H PHE 69 -7.979 -7.126 -3.165 562 HA PHE 69 HA PHE 69 -9.002 -7.592 -5.888 563 HB2 PHE 69 2HB PHE 69 -6.253 -6.650 -4.935 564 HB3 PHE 69 3HB PHE 69 -6.825 -6.670 -6.602 565 HD1 PHE 69 HD1 PHE 69 -9.158 -5.380 -6.968 566 HD2 PHE 69 HD2 PHE 69 -6.399 -4.572 -3.804 567 HE1 PHE 69 HE1 PHE 69 -10.142 -3.157 -6.659 568 HE2 PHE 69 HE2 PHE 69 -7.393 -2.343 -3.507 569 HZ PHE 69 HZ PHE 69 -9.271 -1.636 -4.931 570 H ASN 70 H ASN 70 -7.822 -9.446 -3.444 571 HA ASN 70 HA ASN 70 -6.849 -11.430 -3.143 572 HB2 ASN 70 2HB ASN 70 -8.806 -12.032 -4.746 573 HB3 ASN 70 3HB ASN 70 -7.581 -12.200 -5.994 574 HD21 ASN 70 1HD2 ASN 70 -9.418 -14.152 -4.654 575 HD22 ASN 70 2HD2 ASN 70 -8.394 -15.437 -4.118 576 H ILE 71 H ILE 71 -5.027 -9.795 -3.317 577 HA ILE 71 HA ILE 71 -2.866 -10.928 -4.998 578 HB ILE 71 HB ILE 71 -1.766 -8.601 -4.807 579 HG12 ILE 71 2HG1 ILE 71 -4.603 -7.810 -3.992 580 HG13 ILE 71 3HG1 ILE 71 -3.131 -7.595 -3.051 581 HG21 ILE 71 1HG2 ILE 71 -2.685 -9.443 -6.920 582 HG22 ILE 71 2HG2 ILE 71 -2.893 -7.699 -6.776 583 HG23 ILE 71 3HG2 ILE 71 -4.267 -8.774 -6.509 584 HD11 ILE 71 3HD1 ILE 71 -2.333 -5.973 -4.746 585 HD12 ILE 71 1HD1 ILE 71 -3.831 -5.493 -3.950 586 HD13 ILE 71 2HD1 ILE 71 -3.879 -6.139 -5.588 587 H THR 72 H THR 72 -0.772 -10.869 -4.013 588 HA THR 72 HA THR 72 -0.806 -11.334 -1.139 589 HB THR 72 HB THR 72 1.676 -11.902 -1.594 590 HG1 THR 72 HG1 THR 72 0.802 -11.556 -4.283 591 HG21 THR 72 3HG2 THR 72 1.188 -14.073 -2.655 592 HG22 THR 72 1HG2 THR 72 -0.407 -13.493 -3.137 593 HG23 THR 72 2HG2 THR 72 -0.017 -13.692 -1.425 594 H VAL 73 H VAL 73 -0.037 -9.880 0.353 595 HA VAL 73 HA VAL 73 1.641 -7.629 -0.578 596 HB VAL 73 HB VAL 73 -0.703 -6.814 -0.072 597 HG11 VAL 73 1HG1 VAL 73 -1.308 -8.291 1.791 598 HG12 VAL 73 2HG1 VAL 73 -1.483 -6.596 2.246 599 HG13 VAL 73 3HG1 VAL 73 -0.093 -7.524 2.817 600 HG21 VAL 73 3HG2 VAL 73 1.465 -5.676 1.735 601 HG22 VAL 73 1HG2 VAL 73 0.017 -4.825 1.181 602 HG23 VAL 73 2HG2 VAL 73 1.255 -5.310 0.020 603 H THR 74 H THR 74 3.223 -7.021 0.773 604 HA THR 74 HA THR 74 3.548 -8.272 3.420 605 HB THR 74 HB THR 74 5.103 -9.513 2.015 606 HG1 THR 74 HG1 THR 74 6.811 -9.191 3.278 607 HG21 THR 74 3HG2 THR 74 6.210 -6.852 1.030 608 HG22 THR 74 1HG2 THR 74 5.270 -8.000 0.071 609 HG23 THR 74 2HG2 THR 74 6.874 -8.445 0.659 610 H TYR 75 H TYR 75 4.203 -6.771 4.935 611 HA TYR 75 HA TYR 75 4.905 -4.044 4.043 612 HB2 TYR 75 2HB TYR 75 3.274 -3.181 5.853 613 HB3 TYR 75 3HB TYR 75 2.579 -3.759 4.348 614 HD1 TYR 75 HD1 TYR 75 3.143 -4.693 7.939 615 HD2 TYR 75 HD2 TYR 75 0.988 -5.564 4.349 616 HE1 TYR 75 HE1 TYR 75 1.664 -6.199 9.190 617 HE2 TYR 75 HE2 TYR 75 -0.489 -7.070 5.607 618 HH TYR 75 HH TYR 75 -0.567 -8.319 7.647 619 H THR 76 H THR 76 6.397 -3.072 5.287 620 HA THR 76 HA THR 76 7.490 -4.582 7.572 621 HB THR 76 HB THR 76 9.026 -2.651 5.770 622 HG1 THR 76 HG1 THR 76 8.307 -4.405 4.508 623 HG21 THR 76 3HG2 THR 76 11.018 -3.795 6.675 624 HG22 THR 76 1HG2 THR 76 9.991 -4.845 7.651 625 HG23 THR 76 2HG2 THR 76 10.060 -3.113 7.993 626 H ILE 77 H ILE 77 7.173 -3.604 9.441 627 HA ILE 77 HA ILE 77 7.598 -0.705 9.687 628 HB ILE 77 HB ILE 77 5.951 -0.855 11.755 629 HG12 ILE 77 2HG1 ILE 77 4.867 -3.146 10.046 630 HG13 ILE 77 3HG1 ILE 77 5.463 -3.256 11.698 631 HG21 ILE 77 1HG2 ILE 77 5.597 0.638 9.856 632 HG22 ILE 77 2HG2 ILE 77 4.068 -0.050 10.399 633 HG23 ILE 77 3HG2 ILE 77 4.842 -0.669 8.938 634 HD11 ILE 77 3HD1 ILE 77 3.043 -3.348 11.625 635 HD12 ILE 77 1HD1 ILE 77 2.974 -1.785 10.812 636 HD13 ILE 77 2HD1 ILE 77 3.572 -1.894 12.472 637 H ARG 78 H ARG 78 9.403 -0.513 10.718 638 HA ARG 78 HA ARG 78 10.025 -2.110 13.116 639 HB2 ARG 78 2HB ARG 78 11.859 -1.753 10.688 640 HB3 ARG 78 3HB ARG 78 12.432 -2.294 12.264 641 HG2 ARG 78 2HG ARG 78 10.926 -4.285 12.094 642 HG3 ARG 78 3HG ARG 78 10.462 -3.756 10.473 643 HD2 ARG 78 2HD ARG 78 12.189 -5.505 10.382 644 HD3 ARG 78 3HD ARG 78 12.799 -3.983 9.717 645 HE ARG 78 HE ARG 78 13.453 -4.100 12.449 646 HH11 ARG 78 1HH1 ARG 78 14.398 -5.705 9.454 647 HH12 ARG 78 2HH1 ARG 78 15.991 -6.081 10.032 648 HH21 ARG 78 1HH2 ARG 78 15.521 -4.600 13.181 649 HH22 ARG 78 2HH2 ARG 78 16.633 -5.455 12.148 650 H GLY 79 H GLY 79 12.475 -1.077 13.714 651 HA2 GLY 79 2HA GLY 79 13.673 0.942 14.089 652 HA3 GLY 79 3HA GLY 79 12.238 1.876 13.677 653 H SER 80 H SER 80 13.797 -0.065 16.097 654 HA SER 80 HA SER 80 13.851 -0.014 18.326 655 HB2 SER 80 2HB SER 80 13.545 2.479 18.109 656 HB3 SER 80 3HB SER 80 11.818 2.235 18.333 657 HG SER 80 HG SER 80 12.206 1.470 20.381 658 H LEU 81 H LEU 81 11.188 -0.924 16.569 659 HA LEU 81 HA LEU 81 9.559 -2.015 18.668 660 HB2 LEU 81 2HB LEU 81 9.912 -2.902 15.761 661 HB3 LEU 81 3HB LEU 81 8.674 -3.519 16.846 662 HG LEU 81 HG LEU 81 8.878 -0.619 15.928 663 HD11 LEU 81 1HD1 LEU 81 8.272 -2.089 14.063 664 HD12 LEU 81 2HD1 LEU 81 6.933 -1.048 14.529 665 HD13 LEU 81 3HD1 LEU 81 6.928 -2.752 14.999 666 HD21 LEU 81 3HD2 LEU 81 6.676 -2.002 17.496 667 HD22 LEU 81 1HD2 LEU 81 6.653 -0.335 16.909 668 HD23 LEU 81 2HD2 LEU 81 7.823 -0.820 18.131 669 H GLU 82 H GLU 82 12.566 -2.799 17.218 670 HA GLU 82 HA GLU 82 12.823 -5.500 18.255 671 HB2 GLU 82 2HB GLU 82 15.015 -3.699 17.089 672 HB3 GLU 82 3HB GLU 82 15.074 -5.441 17.296 673 HG2 GLU 82 2HG GLU 82 14.674 -5.325 15.029 674 HG3 GLU 82 3HG GLU 82 13.018 -5.420 15.620 675 H HIS 83 H HIS 83 13.821 -6.037 20.186 676 HA HIS 83 HA HIS 83 14.004 -4.115 22.260 677 HB2 HIS 83 2HB HIS 83 14.756 -7.053 22.105 678 HB3 HIS 83 3HB HIS 83 15.126 -6.123 23.551 679 HD1 HIS 83 HD1 HIS 83 13.289 -8.472 23.858 680 HD2 HIS 83 HD2 HIS 83 11.909 -4.654 22.995 681 HE1 HIS 83 HE1 HIS 83 10.913 -8.412 24.675 682 HE2 HIS 83 HE2 HIS 83 10.100 -6.101 24.105 683 H HIS 84 H HIS 84 15.643 -2.952 23.050 684 HA HIS 84 HA HIS 84 18.249 -2.977 21.705 685 HB2 HIS 84 2HB HIS 84 17.124 -1.057 23.800 686 HB3 HIS 84 3HB HIS 84 18.664 -0.863 22.969 687 HD1 HIS 84 HD1 HIS 84 18.480 0.870 21.213 688 HD2 HIS 84 HD2 HIS 84 14.940 -1.267 21.585 689 HE1 HIS 84 HE1 HIS 84 16.898 1.885 19.551 690 HE2 HIS 84 HE2 HIS 84 14.716 0.738 19.997 691 H HIS 85 H HIS 85 16.884 -3.323 24.966 692 HA HIS 85 HA HIS 85 19.384 -3.693 26.330 693 HB2 HIS 85 2HB HIS 85 16.573 -4.447 27.271 694 HB3 HIS 85 3HB HIS 85 17.994 -4.257 28.293 695 HD1 HIS 85 HD1 HIS 85 15.176 -2.646 28.368 696 HD2 HIS 85 HD2 HIS 85 18.855 -1.244 27.061 697 HE1 HIS 85 HE1 HIS 85 15.063 -0.156 28.602 698 HE2 HIS 85 HE2 HIS 85 17.367 0.645 27.968 699 H HIS 86 H HIS 86 20.067 -5.672 27.406 700 HA HIS 86 HA HIS 86 19.893 -8.018 25.742 701 HB2 HIS 86 2HB HIS 86 21.208 -7.675 28.481 702 HB3 HIS 86 3HB HIS 86 21.432 -9.055 27.408 703 HD1 HIS 86 HD1 HIS 86 23.811 -7.310 28.366 704 HD2 HIS 86 HD2 HIS 86 21.819 -6.781 24.757 705 HE1 HIS 86 HE1 HIS 86 25.431 -6.111 26.869 706 HE2 HIS 86 HE2 HIS 86 24.127 -5.656 24.766 707 H HIS 87 H HIS 87 18.970 -9.990 26.218 708 HA HIS 87 HA HIS 87 16.343 -9.896 27.075 709 HB2 HIS 87 2HB HIS 87 18.177 -12.278 26.605 710 HB3 HIS 87 3HB HIS 87 16.450 -12.449 26.889 711 HD1 HIS 87 HD1 HIS 87 18.885 -11.868 24.217 712 HD2 HIS 87 HD2 HIS 87 14.825 -11.226 24.803 713 HE1 HIS 87 HE1 HIS 87 17.908 -11.575 21.927 714 HE2 HIS 87 HE2 HIS 87 15.431 -11.366 22.308 715 H HIS 88 H HIS 88 18.863 -11.857 28.678 716 HA HIS 88 HA HIS 88 18.211 -11.175 31.347 717 HB2 HIS 88 2HB HIS 88 16.130 -12.425 30.943 718 HB3 HIS 88 3HB HIS 88 17.025 -13.803 30.323 719 HD1 HIS 88 HD1 HIS 88 17.422 -15.618 31.972 720 HD2 HIS 88 HD2 HIS 88 16.693 -11.981 33.855 721 HE1 HIS 88 HE1 HIS 88 17.301 -16.140 34.423 722 HE2 HIS 88 HE2 HIS 88 16.652 -13.966 35.509 Start of MODEL 8 1 H1 MET 1 1H MET 1 9.215 3.726 12.666 2 H2 MET 1 2H MET 1 8.997 4.318 14.230 3 H3 MET 1 3H MET 1 10.479 4.527 13.447 4 HA MET 1 HA MET 1 7.893 5.756 12.713 5 HB2 MET 1 2HB MET 1 10.491 6.939 13.789 6 HB3 MET 1 3HB MET 1 9.135 7.903 13.216 7 HG2 MET 1 2HG MET 1 7.717 6.987 14.992 8 HG3 MET 1 3HG MET 1 9.061 5.991 15.560 9 HE1 MET 1 3HE MET 1 8.778 8.739 18.383 10 HE2 MET 1 1HE MET 1 8.788 7.010 18.046 11 HE3 MET 1 2HE MET 1 7.439 8.006 17.499 12 H GLY 2 H GLY 2 8.759 7.869 11.276 13 HA2 GLY 2 2HA GLY 2 9.854 8.671 9.414 14 HA3 GLY 2 3HA GLY 2 10.781 7.185 9.308 15 H GLU 3 H GLU 3 9.673 5.269 8.422 16 HA GLU 3 HA GLU 3 7.475 5.782 6.547 17 HB2 GLU 3 2HB GLU 3 8.750 5.299 4.554 18 HB3 GLU 3 3HB GLU 3 9.567 6.599 5.399 19 HG2 GLU 3 2HG GLU 3 10.427 3.691 5.442 20 HG3 GLU 3 3HG GLU 3 11.105 4.928 4.396 21 H MET 4 H MET 4 6.947 3.817 5.278 22 HA MET 4 HA MET 4 8.116 1.252 6.106 23 HB2 MET 4 2HB MET 4 6.162 1.362 7.579 24 HB3 MET 4 3HB MET 4 5.123 1.868 6.250 25 HG2 MET 4 2HG MET 4 5.412 -0.340 5.174 26 HG3 MET 4 3HG MET 4 6.468 -0.851 6.490 27 HE1 MET 4 3HE MET 4 1.975 0.062 7.096 28 HE2 MET 4 1HE MET 4 2.853 0.416 5.608 29 HE3 MET 4 2HE MET 4 3.196 1.333 7.073 30 H ASP 5 H ASP 5 8.528 0.061 4.258 31 HA ASP 5 HA ASP 5 7.282 0.666 1.736 32 HB2 ASP 5 2HB ASP 5 8.989 -1.769 2.441 33 HB3 ASP 5 3HB ASP 5 8.629 -1.171 0.829 34 H ILE 6 H ILE 6 5.340 -0.018 1.227 35 HA ILE 6 HA ILE 6 4.240 -2.572 2.243 36 HB ILE 6 HB ILE 6 2.733 -0.274 0.890 37 HG12 ILE 6 2HG1 ILE 6 2.759 -1.056 3.838 38 HG13 ILE 6 3HG1 ILE 6 3.513 0.380 3.156 39 HG21 ILE 6 1HG2 ILE 6 1.682 -2.797 2.219 40 HG22 ILE 6 2HG2 ILE 6 1.723 -2.485 0.481 41 HG23 ILE 6 3HG2 ILE 6 0.694 -1.508 1.529 42 HD11 ILE 6 3HD1 ILE 6 1.299 1.189 2.461 43 HD12 ILE 6 1HD1 ILE 6 1.447 0.961 4.202 44 HD13 ILE 6 2HD1 ILE 6 0.562 -0.218 3.237 45 H ARG 7 H ARG 7 4.722 -4.124 0.792 46 HA ARG 7 HA ARG 7 5.032 -3.432 -2.061 47 HB2 ARG 7 2HB ARG 7 7.071 -4.236 -0.786 48 HB3 ARG 7 3HB ARG 7 6.257 -5.776 -0.533 49 HG2 ARG 7 2HG ARG 7 6.148 -6.058 -3.035 50 HG3 ARG 7 3HG ARG 7 7.083 -4.571 -3.200 51 HD2 ARG 7 2HD ARG 7 7.975 -7.150 -1.886 52 HD3 ARG 7 3HD ARG 7 8.578 -6.468 -3.397 53 HE ARG 7 HE ARG 7 9.375 -4.545 -1.929 54 HH11 ARG 7 1HH1 ARG 7 9.186 -7.852 -0.727 55 HH12 ARG 7 2HH1 ARG 7 10.450 -7.621 0.439 56 HH21 ARG 7 1HH2 ARG 7 11.041 -4.270 -0.425 57 HH22 ARG 7 2HH2 ARG 7 11.505 -5.589 0.612 58 H PHE 8 H PHE 8 3.480 -4.186 -3.311 59 HA PHE 8 HA PHE 8 1.765 -6.460 -2.496 60 HB2 PHE 8 2HB PHE 8 1.330 -4.218 -4.532 61 HB3 PHE 8 3HB PHE 8 0.252 -5.599 -4.370 62 HD1 PHE 8 HD2 PHE 8 -1.085 -5.902 -2.262 63 HD2 PHE 8 HD1 PHE 8 1.180 -2.344 -2.998 64 HE1 PHE 8 HE2 PHE 8 -2.384 -4.716 -0.541 65 HE2 PHE 8 HE1 PHE 8 -0.119 -1.176 -1.277 66 HZ PHE 8 HZ PHE 8 -1.901 -2.351 -0.044 67 H ARG 9 H ARG 9 1.386 -8.103 -4.032 68 HA ARG 9 HA ARG 9 3.037 -8.244 -6.475 69 HB2 ARG 9 2HB ARG 9 3.059 -10.252 -4.181 70 HB3 ARG 9 3HB ARG 9 3.528 -10.718 -5.798 71 HG2 ARG 9 2HG ARG 9 5.358 -9.012 -5.719 72 HG3 ARG 9 3HG ARG 9 4.890 -8.638 -4.059 73 HD2 ARG 9 2HD ARG 9 6.002 -11.253 -5.115 74 HD3 ARG 9 3HD ARG 9 6.753 -10.143 -3.959 75 HE ARG 9 HE ARG 9 4.195 -11.240 -3.131 76 HH11 ARG 9 1HH1 ARG 9 7.692 -11.705 -2.992 77 HH12 ARG 9 2HH1 ARG 9 7.615 -12.726 -1.593 78 HH21 ARG 9 1HH2 ARG 9 4.106 -12.623 -1.339 79 HH22 ARG 9 2HH2 ARG 9 5.573 -13.243 -0.659 80 H GLY 10 H GLY 10 1.806 -9.001 -8.128 81 HA2 GLY 10 2HA GLY 10 -0.408 -10.827 -7.732 82 HA3 GLY 10 3HA GLY 10 -0.923 -9.183 -8.082 83 H ASP 11 H ASP 11 -0.849 -11.928 -9.498 84 HA ASP 11 HA ASP 11 0.525 -11.699 -11.948 85 HB2 ASP 11 2HB ASP 11 -0.438 -13.809 -11.127 86 HB3 ASP 11 3HB ASP 11 -2.061 -13.147 -11.235 87 H ASP 12 H ASP 12 -2.462 -10.329 -10.805 88 HA ASP 12 HA ASP 12 -3.228 -9.231 -13.420 89 HB2 ASP 12 2HB ASP 12 -4.973 -10.275 -11.961 90 HB3 ASP 12 3HB ASP 12 -4.627 -9.095 -10.703 91 H LEU 13 H LEU 13 -1.954 -7.506 -13.919 92 HA LEU 13 HA LEU 13 -0.775 -5.707 -12.103 93 HB2 LEU 13 2HB LEU 13 0.028 -6.093 -14.438 94 HB3 LEU 13 3HB LEU 13 -1.362 -5.214 -15.044 95 HG LEU 13 HG LEU 13 -0.533 -3.131 -13.964 96 HD11 LEU 13 1HD1 LEU 13 0.654 -4.076 -12.046 97 HD12 LEU 13 2HD1 LEU 13 1.702 -3.003 -12.968 98 HD13 LEU 13 3HD1 LEU 13 1.888 -4.752 -13.116 99 HD21 LEU 13 3HD2 LEU 13 1.373 -2.711 -15.445 100 HD22 LEU 13 1HD2 LEU 13 0.110 -3.609 -16.286 101 HD23 LEU 13 2HD2 LEU 13 1.561 -4.445 -15.725 102 H GLU 14 H GLU 14 -3.972 -5.727 -13.546 103 HA GLU 14 HA GLU 14 -4.741 -3.038 -13.166 104 HB2 GLU 14 2HB GLU 14 -6.401 -5.582 -13.034 105 HB3 GLU 14 3HB GLU 14 -7.105 -3.978 -12.933 106 HG2 GLU 14 2HG GLU 14 -5.618 -5.130 -15.298 107 HG3 GLU 14 3HG GLU 14 -7.360 -4.913 -15.146 108 H ALA 15 H ALA 15 -4.805 -5.843 -10.992 109 HA ALA 15 HA ALA 15 -6.113 -4.649 -8.794 110 HB1 ALA 15 3HB ALA 15 -4.176 -6.991 -8.849 111 HB2 ALA 15 1HB ALA 15 -5.915 -7.080 -9.132 112 HB3 ALA 15 2HB ALA 15 -5.304 -6.603 -7.546 113 H LEU 16 H LEU 16 -2.707 -4.801 -9.749 114 HA LEU 16 HA LEU 16 -1.623 -3.678 -7.341 115 HB2 LEU 16 2HB LEU 16 -0.430 -3.754 -10.147 116 HB3 LEU 16 3HB LEU 16 0.455 -3.398 -8.673 117 HG LEU 16 HG LEU 16 -0.823 -6.079 -9.357 118 HD11 LEU 16 1HD1 LEU 16 1.151 -5.605 -10.732 119 HD12 LEU 16 2HD1 LEU 16 1.466 -6.915 -9.598 120 HD13 LEU 16 3HD1 LEU 16 2.111 -5.302 -9.280 121 HD21 LEU 16 3HD2 LEU 16 0.864 -5.324 -6.946 122 HD22 LEU 16 1HD2 LEU 16 0.304 -6.948 -7.353 123 HD23 LEU 16 2HD2 LEU 16 -0.863 -5.696 -6.939 124 H GLU 17 H GLU 17 -2.639 -2.347 -10.467 125 HA GLU 17 HA GLU 17 -1.872 0.360 -10.117 126 HB2 GLU 17 2HB GLU 17 -4.048 -0.941 -11.813 127 HB3 GLU 17 3HB GLU 17 -3.670 0.772 -11.913 128 HG2 GLU 17 2HG GLU 17 -1.529 -1.311 -12.371 129 HG3 GLU 17 3HG GLU 17 -2.635 -0.859 -13.651 130 H LYS 18 H LYS 18 -4.832 -1.386 -9.355 131 HA LYS 18 HA LYS 18 -6.412 0.868 -8.556 132 HB2 LYS 18 2HB LYS 18 -6.743 -2.145 -8.301 133 HB3 LYS 18 3HB LYS 18 -7.953 -1.017 -7.700 134 HG2 LYS 18 2HG LYS 18 -8.556 -0.295 -9.872 135 HG3 LYS 18 3HG LYS 18 -7.054 -0.884 -10.587 136 HD2 LYS 18 2HD LYS 18 -7.779 -3.198 -10.353 137 HD3 LYS 18 3HD LYS 18 -9.232 -2.712 -9.487 138 HE2 LYS 18 2HE LYS 18 -9.678 -3.290 -11.856 139 HE3 LYS 18 3HE LYS 18 -10.109 -1.621 -11.483 140 HZ1 LYS 18 3HZ LYS 18 -7.536 -2.402 -12.739 141 HZ2 LYS 18 1HZ LYS 18 -8.163 -0.843 -12.572 142 HZ3 LYS 18 2HZ LYS 18 -8.899 -1.947 -13.619 143 H ALA 19 H ALA 19 -4.667 -1.739 -6.797 144 HA ALA 19 HA ALA 19 -5.209 -0.902 -4.161 145 HB1 ALA 19 3HB ALA 19 -2.754 -2.369 -5.183 146 HB2 ALA 19 1HB ALA 19 -4.269 -3.117 -4.681 147 HB3 ALA 19 2HB ALA 19 -3.271 -2.269 -3.497 148 H LEU 20 H LEU 20 -2.543 -0.087 -6.380 149 HA LEU 20 HA LEU 20 -0.990 1.571 -4.798 150 HB2 LEU 20 2HB LEU 20 -0.369 0.851 -7.078 151 HB3 LEU 20 3HB LEU 20 -1.616 1.856 -7.776 152 HG LEU 20 HG LEU 20 0.889 2.641 -7.863 153 HD11 LEU 20 1HD1 LEU 20 -1.216 4.630 -7.027 154 HD12 LEU 20 2HD1 LEU 20 -0.915 4.049 -8.664 155 HD13 LEU 20 3HD1 LEU 20 0.312 5.001 -7.833 156 HD21 LEU 20 3HD2 LEU 20 1.689 3.965 -5.997 157 HD22 LEU 20 1HD2 LEU 20 1.370 2.317 -5.464 158 HD23 LEU 20 2HD2 LEU 20 0.233 3.611 -5.068 159 H LYS 21 H LYS 21 -3.694 2.556 -6.920 160 HA LYS 21 HA LYS 21 -3.642 5.292 -6.373 161 HB2 LYS 21 2HB LYS 21 -4.847 4.286 -8.281 162 HB3 LYS 21 3HB LYS 21 -5.984 3.526 -7.175 163 HG2 LYS 21 2HG LYS 21 -6.732 5.812 -6.447 164 HG3 LYS 21 3HG LYS 21 -5.668 6.504 -7.671 165 HD2 LYS 21 2HD LYS 21 -7.833 6.489 -8.651 166 HD3 LYS 21 3HD LYS 21 -6.984 5.138 -9.400 167 HE2 LYS 21 2HE LYS 21 -8.971 4.928 -7.113 168 HE3 LYS 21 3HE LYS 21 -9.316 4.575 -8.800 169 HZ1 LYS 21 3HZ LYS 21 -7.570 2.819 -8.640 170 HZ2 LYS 21 1HZ LYS 21 -8.960 2.546 -7.724 171 HZ3 LYS 21 2HZ LYS 21 -7.547 3.074 -6.966 172 H GLU 22 H GLU 22 -5.317 2.626 -4.746 173 HA GLU 22 HA GLU 22 -6.825 4.279 -2.957 174 HB2 GLU 22 2HB GLU 22 -6.235 1.295 -2.843 175 HB3 GLU 22 3HB GLU 22 -7.353 2.136 -1.776 176 HG2 GLU 22 2HG GLU 22 -7.623 1.763 -4.766 177 HG3 GLU 22 3HG GLU 22 -8.602 1.017 -3.507 178 H MET 23 H MET 23 -3.708 2.548 -2.684 179 HA MET 23 HA MET 23 -3.246 3.100 0.058 180 HB2 MET 23 2HB MET 23 -1.349 2.533 -2.244 181 HB3 MET 23 3HB MET 23 -0.761 2.817 -0.613 182 HG2 MET 23 2HG MET 23 -2.833 0.698 -0.913 183 HG3 MET 23 3HG MET 23 -1.245 0.367 -1.586 184 HE1 MET 23 3HE MET 23 -2.063 1.044 2.923 185 HE2 MET 23 1HE MET 23 -3.333 0.885 1.711 186 HE3 MET 23 2HE MET 23 -2.323 2.333 1.749 187 H ILE 24 H ILE 24 -2.535 4.964 -2.886 188 HA ILE 24 HA ILE 24 -1.225 7.155 -1.667 189 HB ILE 24 HB ILE 24 -2.986 7.098 -4.174 190 HG12 ILE 24 2HG1 ILE 24 0.048 6.930 -3.841 191 HG13 ILE 24 3HG1 ILE 24 -1.016 5.675 -4.463 192 HG21 ILE 24 1HG2 ILE 24 -1.108 9.308 -3.265 193 HG22 ILE 24 2HG2 ILE 24 -2.869 9.392 -3.299 194 HG23 ILE 24 3HG2 ILE 24 -1.966 9.258 -4.806 195 HD11 ILE 24 3HD1 ILE 24 -1.512 7.102 -6.414 196 HD12 ILE 24 1HD1 ILE 24 0.196 6.691 -6.267 197 HD13 ILE 24 2HD1 ILE 24 -0.363 8.296 -5.803 198 H ARG 25 H ARG 25 -4.633 6.504 -2.402 199 HA ARG 25 HA ARG 25 -5.873 8.791 -1.427 200 HB2 ARG 25 2HB ARG 25 -6.980 7.056 -2.788 201 HB3 ARG 25 3HB ARG 25 -6.866 5.911 -1.460 202 HG2 ARG 25 2HG ARG 25 -8.424 7.311 -0.129 203 HG3 ARG 25 3HG ARG 25 -8.549 8.437 -1.483 204 HD2 ARG 25 2HD ARG 25 -9.446 6.593 -2.902 205 HD3 ARG 25 3HD ARG 25 -9.384 5.512 -1.505 206 HE ARG 25 HE ARG 25 -10.906 7.897 -1.020 207 HH11 ARG 25 1HH1 ARG 25 -11.118 4.668 -2.449 208 HH12 ARG 25 2HH1 ARG 25 -12.840 4.565 -2.251 209 HH21 ARG 25 1HH2 ARG 25 -13.169 7.746 -0.777 210 HH22 ARG 25 2HH2 ARG 25 -14.002 6.317 -1.300 211 H GLN 26 H GLN 26 -4.923 5.830 0.356 212 HA GLN 26 HA GLN 26 -6.103 6.651 2.851 213 HB2 GLN 26 2HB GLN 26 -3.892 4.574 2.618 214 HB3 GLN 26 3HB GLN 26 -5.103 4.721 3.876 215 HG2 GLN 26 2HG GLN 26 -5.411 3.616 1.091 216 HG3 GLN 26 3HG GLN 26 -5.719 2.820 2.623 217 HE21 GLN 26 1HE2 GLN 26 -7.428 3.136 0.222 218 HE22 GLN 26 2HE2 GLN 26 -8.893 3.851 0.794 219 H ALA 27 H ALA 27 -2.831 6.743 1.455 220 HA ALA 27 HA ALA 27 -1.456 7.784 3.713 221 HB1 ALA 27 3HB ALA 27 0.345 8.336 2.122 222 HB2 ALA 27 1HB ALA 27 -0.757 8.063 0.762 223 HB3 ALA 27 2HB ALA 27 -0.293 6.725 1.810 224 H ARG 28 H ARG 28 -3.432 9.287 1.250 225 HA ARG 28 HA ARG 28 -2.604 12.010 1.812 226 HB2 ARG 28 2HB ARG 28 -4.862 10.911 0.081 227 HB3 ARG 28 3HB ARG 28 -4.485 12.626 0.234 228 HG2 ARG 28 2HG ARG 28 -2.191 12.150 -0.691 229 HG3 ARG 28 3HG ARG 28 -2.686 10.483 -0.934 230 HD2 ARG 28 2HD ARG 28 -3.987 12.898 -2.234 231 HD3 ARG 28 3HD ARG 28 -2.854 11.791 -3.014 232 HE ARG 28 HE ARG 28 -5.209 10.515 -1.915 233 HH11 ARG 28 1HH1 ARG 28 -3.896 12.067 -4.796 234 HH12 ARG 28 2HH1 ARG 28 -5.030 11.309 -5.864 235 HH21 ARG 28 1HH2 ARG 28 -6.717 9.575 -3.314 236 HH22 ARG 28 2HH2 ARG 28 -6.642 9.887 -5.018 237 H LYS 29 H LYS 29 -5.354 9.894 2.751 238 HA LYS 29 HA LYS 29 -6.791 11.982 4.122 239 HB2 LYS 29 2HB LYS 29 -8.267 10.324 4.976 240 HB3 LYS 29 3HB LYS 29 -7.802 9.730 3.391 241 HG2 LYS 29 2HG LYS 29 -6.139 8.228 4.512 242 HG3 LYS 29 3HG LYS 29 -6.768 8.758 6.069 243 HD2 LYS 29 2HD LYS 29 -9.009 7.839 5.444 244 HD3 LYS 29 3HD LYS 29 -8.333 7.279 3.910 245 HE2 LYS 29 2HE LYS 29 -6.724 5.852 5.194 246 HE3 LYS 29 3HE LYS 29 -7.518 6.346 6.688 247 HZ1 LYS 29 3HZ LYS 29 -8.261 4.172 5.796 248 HZ2 LYS 29 1HZ LYS 29 -8.906 4.971 4.455 249 HZ3 LYS 29 2HZ LYS 29 -9.523 5.278 5.994 250 H PHE 30 H PHE 30 -4.225 9.753 4.998 251 HA PHE 30 HA PHE 30 -4.066 10.594 7.774 252 HB2 PHE 30 2HB PHE 30 -2.256 8.867 6.035 253 HB3 PHE 30 3HB PHE 30 -1.928 9.203 7.731 254 HD1 PHE 30 HD1 PHE 30 -4.492 8.890 9.069 255 HD2 PHE 30 HD2 PHE 30 -2.849 6.592 5.859 256 HE1 PHE 30 HE1 PHE 30 -5.809 6.940 9.772 257 HE2 PHE 30 HE2 PHE 30 -4.185 4.650 6.564 258 HZ PHE 30 HZ PHE 30 -5.668 4.824 8.523 259 H ALA 31 H ALA 31 -3.162 11.970 4.852 260 HA ALA 31 HA ALA 31 -2.260 13.962 4.346 261 HB1 ALA 31 3HB ALA 31 -1.775 15.614 6.083 262 HB2 ALA 31 1HB ALA 31 -1.816 14.355 7.324 263 HB3 ALA 31 2HB ALA 31 -3.286 14.778 6.444 264 H GLY 32 H GLY 32 -0.575 11.422 5.032 265 HA2 GLY 32 2HA GLY 32 2.103 12.500 5.452 266 HA3 GLY 32 3HA GLY 32 1.650 10.817 5.228 267 H THR 33 H THR 33 3.649 10.949 3.899 268 HA THR 33 HA THR 33 3.342 12.058 1.180 269 HB THR 33 HB THR 33 5.851 10.972 2.584 270 HG1 THR 33 HG1 THR 33 4.598 13.314 2.933 271 HG21 THR 33 3HG2 THR 33 6.033 10.898 0.122 272 HG22 THR 33 1HG2 THR 33 7.098 12.141 0.786 273 HG23 THR 33 2HG2 THR 33 5.573 12.600 0.025 274 H VAL 34 H VAL 34 3.618 10.573 -0.594 275 HA VAL 34 HA VAL 34 3.815 7.703 0.028 276 HB VAL 34 HB VAL 34 1.403 8.292 -0.193 277 HG11 VAL 34 1HG1 VAL 34 2.052 9.122 -3.032 278 HG12 VAL 34 2HG1 VAL 34 1.536 10.184 -1.721 279 HG13 VAL 34 3HG1 VAL 34 0.431 8.959 -2.349 280 HG21 VAL 34 3HG2 VAL 34 2.430 6.525 -2.439 281 HG22 VAL 34 1HG2 VAL 34 0.774 6.543 -1.817 282 HG23 VAL 34 2HG2 VAL 34 2.105 6.029 -0.776 283 H THR 35 H THR 35 4.884 6.525 -1.470 284 HA THR 35 HA THR 35 5.812 7.664 -4.031 285 HB THR 35 HB THR 35 7.664 6.318 -1.983 286 HG1 THR 35 HG1 THR 35 7.076 9.015 -2.481 287 HG21 THR 35 3HG2 THR 35 8.345 7.709 -4.604 288 HG22 THR 35 1HG2 THR 35 8.416 5.968 -4.315 289 HG23 THR 35 2HG2 THR 35 9.508 7.052 -3.451 290 H TYR 36 H TYR 36 6.454 5.861 -5.537 291 HA TYR 36 HA TYR 36 6.218 3.134 -4.574 292 HB2 TYR 36 2HB TYR 36 4.460 2.392 -6.063 293 HB3 TYR 36 3HB TYR 36 3.846 3.710 -5.078 294 HD1 TYR 36 HD2 TYR 36 3.732 6.078 -6.179 295 HD2 TYR 36 HD1 TYR 36 4.274 2.485 -8.441 296 HE1 TYR 36 HE2 TYR 36 2.939 7.233 -8.200 297 HE2 TYR 36 HE1 TYR 36 3.486 3.647 -10.454 298 HH TYR 36 HH TYR 36 3.247 6.947 -10.722 299 H THR 37 H THR 37 6.810 1.522 -6.110 300 HA THR 37 HA THR 37 7.958 2.369 -8.696 301 HB THR 37 HB THR 37 9.193 0.325 -6.785 302 HG1 THR 37 HG1 THR 37 10.093 2.889 -7.663 303 HG21 THR 37 3HG2 THR 37 11.047 0.171 -8.436 304 HG22 THR 37 1HG2 THR 37 10.145 1.203 -9.541 305 HG23 THR 37 2HG2 THR 37 9.523 -0.395 -9.121 306 H LEU 38 H LEU 38 6.959 1.301 -10.314 307 HA LEU 38 HA LEU 38 5.688 -1.335 -9.830 308 HB2 LEU 38 2HB LEU 38 4.990 0.959 -11.689 309 HB3 LEU 38 3HB LEU 38 4.440 -0.667 -12.065 310 HG LEU 38 HG LEU 38 3.808 0.695 -9.422 311 HD11 LEU 38 1HD1 LEU 38 2.845 2.027 -11.228 312 HD12 LEU 38 2HD1 LEU 38 1.600 1.203 -10.295 313 HD13 LEU 38 3HD1 LEU 38 2.054 0.590 -11.889 314 HD21 LEU 38 3HD2 LEU 38 2.067 -1.021 -9.262 315 HD22 LEU 38 1HD2 LEU 38 3.675 -1.735 -9.378 316 HD23 LEU 38 2HD2 LEU 38 2.606 -1.731 -10.788 317 H ASP 39 H ASP 39 6.751 -2.995 -10.668 318 HA ASP 39 HA ASP 39 7.863 -2.865 -13.355 319 HB2 ASP 39 2HB ASP 39 9.777 -2.215 -11.858 320 HB3 ASP 39 3HB ASP 39 9.593 -3.729 -10.988 321 H GLY 40 H GLY 40 6.688 -4.442 -14.214 322 HA2 GLY 40 2HA GLY 40 5.953 -6.544 -14.737 323 HA3 GLY 40 3HA GLY 40 7.026 -7.177 -13.498 324 H ASN 41 H ASN 41 5.819 -8.457 -12.192 325 HA ASN 41 HA ASN 41 3.043 -7.697 -11.520 326 HB2 ASN 41 2HB ASN 41 4.471 -10.378 -11.273 327 HB3 ASN 41 3HB ASN 41 2.808 -10.081 -10.770 328 HD21 ASN 41 1HD2 ASN 41 1.248 -9.491 -12.444 329 HD22 ASN 41 2HD2 ASN 41 1.478 -10.075 -14.057 330 H ASP 42 H ASP 42 5.416 -6.421 -10.235 331 HA ASP 42 HA ASP 42 4.293 -6.691 -7.548 332 HB2 ASP 42 2HB ASP 42 6.453 -6.682 -6.381 333 HB3 ASP 42 3HB ASP 42 6.288 -8.106 -7.393 334 H LEU 43 H LEU 43 4.345 -4.973 -6.342 335 HA LEU 43 HA LEU 43 5.107 -2.320 -7.393 336 HB2 LEU 43 2HB LEU 43 2.711 -2.564 -7.575 337 HB3 LEU 43 3HB LEU 43 2.592 -3.365 -6.020 338 HG LEU 43 HG LEU 43 3.030 -1.234 -4.858 339 HD11 LEU 43 1HD1 LEU 43 3.102 0.904 -6.024 340 HD12 LEU 43 2HD1 LEU 43 3.079 0.080 -7.581 341 HD13 LEU 43 3HD1 LEU 43 4.459 -0.116 -6.500 342 HD21 LEU 43 3HD2 LEU 43 0.897 -0.143 -5.395 343 HD22 LEU 43 1HD2 LEU 43 0.735 -1.898 -5.334 344 HD23 LEU 43 2HD2 LEU 43 0.793 -1.071 -6.894 345 H GLU 44 H GLU 44 6.355 -1.158 -5.910 346 HA GLU 44 HA GLU 44 6.326 -1.984 -3.055 347 HB2 GLU 44 2HB GLU 44 8.426 -2.699 -4.198 348 HB3 GLU 44 3HB GLU 44 8.757 -1.021 -4.626 349 HG2 GLU 44 2HG GLU 44 8.947 -0.417 -2.249 350 HG3 GLU 44 3HG GLU 44 8.516 -2.062 -1.775 351 H ILE 45 H ILE 45 5.108 -0.472 -2.214 352 HA ILE 45 HA ILE 45 5.258 2.371 -2.931 353 HB ILE 45 HB ILE 45 3.411 0.877 -0.997 354 HG12 ILE 45 2HG1 ILE 45 2.883 1.832 -3.842 355 HG13 ILE 45 3HG1 ILE 45 3.139 0.161 -3.356 356 HG21 ILE 45 1HG2 ILE 45 3.592 3.256 -0.397 357 HG22 ILE 45 2HG2 ILE 45 1.987 2.891 -1.031 358 HG23 ILE 45 3HG2 ILE 45 3.169 3.718 -2.048 359 HD11 ILE 45 3HD1 ILE 45 0.826 1.908 -2.544 360 HD12 ILE 45 1HD1 ILE 45 1.095 0.242 -2.022 361 HD13 ILE 45 2HD1 ILE 45 0.812 0.599 -3.724 362 H ARG 46 H ARG 46 6.191 3.880 -1.578 363 HA ARG 46 HA ARG 46 7.204 3.039 1.079 364 HB2 ARG 46 2HB ARG 46 8.499 5.070 -0.801 365 HB3 ARG 46 3HB ARG 46 9.183 4.406 0.684 366 HG2 ARG 46 2HG ARG 46 9.376 2.196 -0.345 367 HG3 ARG 46 3HG ARG 46 8.563 2.777 -1.798 368 HD2 ARG 46 2HD ARG 46 10.493 4.392 -2.119 369 HD3 ARG 46 3HD ARG 46 11.321 3.549 -0.802 370 HE ARG 46 HE ARG 46 11.470 1.607 -2.136 371 HH11 ARG 46 1HH1 ARG 46 10.046 4.277 -3.940 372 HH12 ARG 46 2HH1 ARG 46 10.305 3.523 -5.481 373 HH21 ARG 46 1HH2 ARG 46 11.746 0.621 -4.161 374 HH22 ARG 46 2HH2 ARG 46 11.265 1.464 -5.604 375 H ILE 47 H ILE 47 5.666 3.879 2.354 376 HA ILE 47 HA ILE 47 4.618 6.602 1.912 377 HB ILE 47 HB ILE 47 3.601 4.407 3.781 378 HG12 ILE 47 2HG1 ILE 47 2.511 5.454 1.128 379 HG13 ILE 47 3HG1 ILE 47 3.231 3.876 1.401 380 HG21 ILE 47 1HG2 ILE 47 1.637 5.857 4.172 381 HG22 ILE 47 2HG2 ILE 47 2.371 7.126 3.191 382 HG23 ILE 47 3HG2 ILE 47 3.123 6.644 4.712 383 HD11 ILE 47 3HD1 ILE 47 0.848 3.700 1.219 384 HD12 ILE 47 1HD1 ILE 47 0.616 4.855 2.531 385 HD13 ILE 47 2HD1 ILE 47 1.351 3.282 2.856 386 H THR 48 H THR 48 5.511 8.189 3.003 387 HA THR 48 HA THR 48 7.153 7.690 5.422 388 HB THR 48 HB THR 48 7.688 9.789 3.259 389 HG1 THR 48 HG1 THR 48 8.422 7.082 3.373 390 HG21 THR 48 3HG2 THR 48 9.966 9.866 4.214 391 HG22 THR 48 1HG2 THR 48 9.517 8.660 5.416 392 HG23 THR 48 2HG2 THR 48 8.764 10.257 5.448 393 H GLY 49 H GLY 49 7.256 9.631 6.868 394 HA2 GLY 49 2HA GLY 49 6.622 11.675 7.738 395 HA3 GLY 49 3HA GLY 49 5.668 11.990 6.301 396 H VAL 50 H VAL 50 4.610 9.053 7.282 397 HA VAL 50 HA VAL 50 2.371 10.099 8.825 398 HB VAL 50 HB VAL 50 1.468 7.759 8.709 399 HG11 VAL 50 1HG1 VAL 50 0.900 7.792 6.307 400 HG12 VAL 50 2HG1 VAL 50 2.192 8.959 6.013 401 HG13 VAL 50 3HG1 VAL 50 0.813 9.406 7.018 402 HG21 VAL 50 3HG2 VAL 50 3.886 7.153 6.965 403 HG22 VAL 50 1HG2 VAL 50 2.496 6.087 7.214 404 HG23 VAL 50 2HG2 VAL 50 3.561 6.482 8.565 405 HA PRO 51 HA PRO 51 4.259 9.310 12.904 406 HB2 PRO 51 2HB PRO 51 1.372 8.631 13.527 407 HB3 PRO 51 3HB PRO 51 2.520 9.629 14.455 408 HG2 PRO 51 2HG PRO 51 0.668 10.795 12.990 409 HG3 PRO 51 3HG PRO 51 2.324 11.448 12.994 410 HD2 PRO 51 2HD PRO 51 0.927 9.847 10.867 411 HD3 PRO 51 3HD PRO 51 2.118 11.156 10.693 412 H GLU 52 H GLU 52 4.520 7.591 14.469 413 HA GLU 52 HA GLU 52 4.982 5.053 13.426 414 HB2 GLU 52 2HB GLU 52 6.145 5.907 15.405 415 HB3 GLU 52 3HB GLU 52 4.639 5.956 16.315 416 HG2 GLU 52 2HG GLU 52 6.011 4.056 17.010 417 HG3 GLU 52 3HG GLU 52 4.515 3.495 16.260 418 H GLN 53 H GLN 53 2.205 6.276 15.290 419 HA GLN 53 HA GLN 53 0.848 3.775 15.580 420 HB2 GLN 53 2HB GLN 53 -1.127 5.099 16.216 421 HB3 GLN 53 3HB GLN 53 0.308 5.722 17.022 422 HG2 GLN 53 2HG GLN 53 0.379 7.667 15.669 423 HG3 GLN 53 3HG GLN 53 -0.698 6.976 14.459 424 HE21 GLN 53 1HE2 GLN 53 -2.943 6.964 14.854 425 HE22 GLN 53 2HE2 GLN 53 -3.660 7.950 16.078 426 H VAL 54 H VAL 54 0.927 6.251 13.116 427 HA VAL 54 HA VAL 54 -1.381 5.324 11.667 428 HB VAL 54 HB VAL 54 0.692 7.449 10.974 429 HG11 VAL 54 1HG1 VAL 54 -0.924 8.247 9.273 430 HG12 VAL 54 2HG1 VAL 54 -1.945 6.844 9.598 431 HG13 VAL 54 3HG1 VAL 54 -0.335 6.622 8.913 432 HG21 VAL 54 3HG2 VAL 54 -1.085 9.071 11.578 433 HG22 VAL 54 1HG2 VAL 54 -0.635 8.052 12.947 434 HG23 VAL 54 2HG2 VAL 54 -2.132 7.736 12.068 435 H ARG 55 H ARG 55 2.114 4.776 11.503 436 HA ARG 55 HA ARG 55 2.261 3.593 8.932 437 HB2 ARG 55 2HB ARG 55 3.859 2.764 11.405 438 HB3 ARG 55 3HB ARG 55 4.258 2.373 9.738 439 HG2 ARG 55 2HG ARG 55 4.470 4.911 9.364 440 HG3 ARG 55 3HG ARG 55 4.421 5.050 11.120 441 HD2 ARG 55 2HD ARG 55 6.498 3.622 9.435 442 HD3 ARG 55 3HD ARG 55 6.730 5.038 10.460 443 HE ARG 55 HE ARG 55 5.993 3.248 12.294 444 HH11 ARG 55 1HH1 ARG 55 8.289 2.846 9.642 445 HH12 ARG 55 2HH1 ARG 55 9.251 1.679 10.490 446 HH21 ARG 55 1HH2 ARG 55 7.298 1.723 13.401 447 HH22 ARG 55 2HH2 ARG 55 8.690 1.046 12.609 448 H LYS 56 H LYS 56 1.489 2.315 12.131 449 HA LYS 56 HA LYS 56 1.017 -0.382 11.405 450 HB2 LYS 56 2HB LYS 56 -0.152 1.169 13.745 451 HB3 LYS 56 3HB LYS 56 -0.016 -0.581 13.618 452 HG2 LYS 56 2HG LYS 56 2.433 -0.427 13.695 453 HG3 LYS 56 3HG LYS 56 2.336 1.335 13.731 454 HD2 LYS 56 2HD LYS 56 1.124 1.208 15.903 455 HD3 LYS 56 3HD LYS 56 1.262 -0.553 15.868 456 HE2 LYS 56 2HE LYS 56 3.706 -0.381 15.969 457 HE3 LYS 56 3HE LYS 56 3.601 1.382 15.937 458 HZ1 LYS 56 3HZ LYS 56 2.461 -0.350 18.071 459 HZ2 LYS 56 1HZ LYS 56 2.446 1.340 18.043 460 HZ3 LYS 56 2HZ LYS 56 3.910 0.511 18.188 461 H GLU 57 H GLU 57 -1.001 2.500 11.281 462 HA GLU 57 HA GLU 57 -3.510 1.182 10.832 463 HB2 GLU 57 2HB GLU 57 -2.590 4.039 10.298 464 HB3 GLU 57 3HB GLU 57 -4.244 3.495 10.025 465 HG2 GLU 57 2HG GLU 57 -4.485 2.937 12.406 466 HG3 GLU 57 3HG GLU 57 -2.803 3.379 12.687 467 H LEU 58 H LEU 58 -1.020 2.588 8.660 468 HA LEU 58 HA LEU 58 -2.270 1.939 6.207 469 HB2 LEU 58 2HB LEU 58 0.603 2.525 6.946 470 HB3 LEU 58 3HB LEU 58 0.266 1.859 5.363 471 HG LEU 58 HG LEU 58 0.429 4.156 4.975 472 HD11 LEU 58 1HD1 LEU 58 -1.529 3.244 3.864 473 HD12 LEU 58 2HD1 LEU 58 -1.778 4.937 4.277 474 HD13 LEU 58 3HD1 LEU 58 -2.552 3.673 5.239 475 HD21 LEU 58 3HD2 LEU 58 0.455 4.951 7.266 476 HD22 LEU 58 1HD2 LEU 58 -1.294 4.739 7.394 477 HD23 LEU 58 2HD2 LEU 58 -0.622 5.936 6.279 478 H ALA 59 H ALA 59 -0.574 -0.040 8.504 479 HA ALA 59 HA ALA 59 -0.001 -2.272 6.878 480 HB1 ALA 59 3HB ALA 59 0.943 -1.956 9.127 481 HB2 ALA 59 1HB ALA 59 0.143 -3.520 8.981 482 HB3 ALA 59 2HB ALA 59 -0.650 -2.201 9.845 483 H LYS 60 H LYS 60 -2.906 -1.433 8.814 484 HA LYS 60 HA LYS 60 -4.384 -3.777 8.010 485 HB2 LYS 60 2HB LYS 60 -5.202 -1.242 9.451 486 HB3 LYS 60 3HB LYS 60 -6.420 -2.375 8.886 487 HG2 LYS 60 2HG LYS 60 -6.157 -3.087 11.067 488 HG3 LYS 60 3HG LYS 60 -5.019 -4.151 10.243 489 HD2 LYS 60 2HD LYS 60 -3.929 -3.364 12.221 490 HD3 LYS 60 3HD LYS 60 -3.187 -2.495 10.875 491 HE2 LYS 60 2HE LYS 60 -4.473 -0.494 11.387 492 HE3 LYS 60 3HE LYS 60 -5.419 -1.354 12.607 493 HZ1 LYS 60 3HZ LYS 60 -3.657 0.020 13.578 494 HZ2 LYS 60 1HZ LYS 60 -2.489 -0.885 12.757 495 HZ3 LYS 60 2HZ LYS 60 -3.445 -1.619 13.941 496 H GLU 61 H GLU 61 -3.967 -0.542 6.707 497 HA GLU 61 HA GLU 61 -6.109 -0.672 4.808 498 HB2 GLU 61 2HB GLU 61 -3.578 1.024 4.726 499 HB3 GLU 61 3HB GLU 61 -4.994 1.256 3.709 500 HG2 GLU 61 2HG GLU 61 -4.846 1.605 6.711 501 HG3 GLU 61 3HG GLU 61 -4.987 2.885 5.512 502 H ALA 62 H ALA 62 -2.696 -1.574 4.794 503 HA ALA 62 HA ALA 62 -2.400 -2.415 2.128 504 HB1 ALA 62 3HB ALA 62 -1.052 -3.507 4.629 505 HB2 ALA 62 1HB ALA 62 -0.524 -2.099 3.706 506 HB3 ALA 62 2HB ALA 62 -0.481 -3.699 2.969 507 H GLU 63 H GLU 63 -3.454 -4.170 5.051 508 HA GLU 63 HA GLU 63 -3.741 -6.738 3.905 509 HB2 GLU 63 2HB GLU 63 -5.078 -5.523 6.354 510 HB3 GLU 63 3HB GLU 63 -5.150 -7.230 5.934 511 HG2 GLU 63 2HG GLU 63 -2.659 -7.346 6.139 512 HG3 GLU 63 3HG GLU 63 -2.663 -5.666 6.670 513 H ARG 64 H ARG 64 -6.106 -4.077 4.340 514 HA ARG 64 HA ARG 64 -8.372 -5.628 3.560 515 HB2 ARG 64 2HB ARG 64 -9.650 -3.549 3.516 516 HB3 ARG 64 3HB ARG 64 -8.640 -3.599 4.954 517 HG2 ARG 64 2HG ARG 64 -7.027 -2.081 3.851 518 HG3 ARG 64 3HG ARG 64 -8.079 -2.003 2.442 519 HD2 ARG 64 2HD ARG 64 -8.948 -1.132 5.217 520 HD3 ARG 64 3HD ARG 64 -8.219 -0.040 4.042 521 HE ARG 64 HE ARG 64 -10.707 -1.508 3.417 522 HH11 ARG 64 1HH1 ARG 64 -9.000 1.579 3.761 523 HH12 ARG 64 2HH1 ARG 64 -10.311 2.502 3.091 524 HH21 ARG 64 1HH2 ARG 64 -12.420 -0.269 2.595 525 HH22 ARG 64 2HH2 ARG 64 -12.253 1.451 2.431 526 H LEU 65 H LEU 65 -6.109 -3.517 1.788 527 HA LEU 65 HA LEU 65 -7.563 -3.720 -0.710 528 HB2 LEU 65 2HB LEU 65 -4.711 -2.806 -0.175 529 HB3 LEU 65 3HB LEU 65 -5.576 -2.601 -1.693 530 HG LEU 65 HG LEU 65 -6.305 -1.303 0.961 531 HD11 LEU 65 1HD1 LEU 65 -5.699 0.815 -0.124 532 HD12 LEU 65 2HD1 LEU 65 -5.162 -0.069 -1.557 533 HD13 LEU 65 3HD1 LEU 65 -4.332 -0.293 -0.013 534 HD21 LEU 65 3HD2 LEU 65 -8.034 -0.066 -0.272 535 HD22 LEU 65 1HD2 LEU 65 -8.338 -1.802 -0.280 536 HD23 LEU 65 2HD2 LEU 65 -7.690 -1.013 -1.720 537 H ALA 66 H ALA 66 -5.110 -5.604 0.891 538 HA ALA 66 HA ALA 66 -4.219 -7.159 -1.310 539 HB1 ALA 66 3HB ALA 66 -3.020 -7.077 0.840 540 HB2 ALA 66 1HB ALA 66 -3.394 -8.739 0.379 541 HB3 ALA 66 2HB ALA 66 -4.351 -7.930 1.625 542 H LYS 67 H LYS 67 -6.869 -7.666 1.058 543 HA LYS 67 HA LYS 67 -7.742 -10.139 -0.183 544 HB2 LYS 67 2HB LYS 67 -9.547 -10.152 1.470 545 HB3 LYS 67 3HB LYS 67 -8.008 -9.816 2.247 546 HG2 LYS 67 2HG LYS 67 -8.600 -7.404 2.341 547 HG3 LYS 67 3HG LYS 67 -10.162 -7.772 1.613 548 HD2 LYS 67 2HD LYS 67 -9.169 -8.784 4.311 549 HD3 LYS 67 3HD LYS 67 -10.358 -7.507 4.053 550 HE2 LYS 67 2HE LYS 67 -10.719 -10.403 3.209 551 HE3 LYS 67 3HE LYS 67 -11.408 -9.668 4.656 552 HZ1 LYS 67 3HZ LYS 67 -11.988 -8.805 1.874 553 HZ2 LYS 67 1HZ LYS 67 -12.667 -8.162 3.280 554 HZ3 LYS 67 2HZ LYS 67 -12.999 -9.755 2.832 555 H GLU 68 H GLU 68 -8.526 -6.761 -0.509 556 HA GLU 68 HA GLU 68 -11.102 -6.966 -1.719 557 HB2 GLU 68 2HB GLU 68 -10.231 -4.878 -0.711 558 HB3 GLU 68 3HB GLU 68 -8.960 -4.802 -1.922 559 HG2 GLU 68 2HG GLU 68 -10.643 -3.199 -2.507 560 HG3 GLU 68 3HG GLU 68 -10.728 -4.514 -3.675 561 H PHE 69 H PHE 69 -7.852 -6.448 -3.048 562 HA PHE 69 HA PHE 69 -8.798 -6.792 -5.805 563 HB2 PHE 69 2HB PHE 69 -6.100 -5.863 -4.726 564 HB3 PHE 69 3HB PHE 69 -6.581 -5.856 -6.421 565 HD1 PHE 69 HD1 PHE 69 -8.918 -4.554 -6.866 566 HD2 PHE 69 HD2 PHE 69 -6.296 -3.816 -3.577 567 HE1 PHE 69 HE1 PHE 69 -9.880 -2.314 -6.588 568 HE2 PHE 69 HE2 PHE 69 -7.266 -1.573 -3.309 569 HZ PHE 69 HZ PHE 69 -9.061 -0.816 -4.814 570 H ASN 70 H ASN 70 -7.707 -8.787 -3.431 571 HA ASN 70 HA ASN 70 -7.013 -10.917 -3.305 572 HB2 ASN 70 2HB ASN 70 -8.910 -11.174 -4.978 573 HB3 ASN 70 3HB ASN 70 -7.713 -11.145 -6.267 574 HD21 ASN 70 1HD2 ASN 70 -6.334 -12.970 -6.532 575 HD22 ASN 70 2HD2 ASN 70 -6.695 -14.493 -5.795 576 H ILE 71 H ILE 71 -4.976 -9.405 -3.283 577 HA ILE 71 HA ILE 71 -2.871 -10.733 -4.880 578 HB ILE 71 HB ILE 71 -1.610 -8.504 -4.865 579 HG12 ILE 71 2HG1 ILE 71 -4.345 -7.417 -4.044 580 HG13 ILE 71 3HG1 ILE 71 -2.856 -7.316 -3.115 581 HG21 ILE 71 1HG2 ILE 71 -4.184 -8.538 -6.479 582 HG22 ILE 71 2HG2 ILE 71 -2.680 -9.347 -6.919 583 HG23 ILE 71 3HG2 ILE 71 -2.741 -7.586 -6.846 584 HD11 ILE 71 3HD1 ILE 71 -3.371 -5.188 -4.093 585 HD12 ILE 71 1HD1 ILE 71 -3.454 -5.892 -5.709 586 HD13 ILE 71 2HD1 ILE 71 -1.913 -5.828 -4.847 587 H THR 72 H THR 72 -0.731 -10.641 -3.813 588 HA THR 72 HA THR 72 -0.922 -11.026 -0.930 589 HB THR 72 HB THR 72 1.565 -11.664 -1.216 590 HG1 THR 72 HG1 THR 72 1.250 -10.565 -3.559 591 HG21 THR 72 3HG2 THR 72 -0.224 -13.391 -1.117 592 HG22 THR 72 1HG2 THR 72 1.086 -13.857 -2.201 593 HG23 THR 72 2HG2 THR 72 -0.437 -13.263 -2.867 594 H VAL 73 H VAL 73 0.342 -9.890 0.574 595 HA VAL 73 HA VAL 73 1.759 -7.460 -0.316 596 HB VAL 73 HB VAL 73 -0.575 -6.830 0.375 597 HG11 VAL 73 1HG1 VAL 73 -1.243 -6.866 2.742 598 HG12 VAL 73 2HG1 VAL 73 0.220 -7.767 3.149 599 HG13 VAL 73 3HG1 VAL 73 -1.002 -8.496 2.105 600 HG21 VAL 73 3HG2 VAL 73 0.070 -4.919 1.772 601 HG22 VAL 73 1HG2 VAL 73 1.257 -5.204 0.499 602 HG23 VAL 73 2HG2 VAL 73 1.607 -5.698 2.158 603 H THR 74 H THR 74 3.420 -6.797 1.047 604 HA THR 74 HA THR 74 3.924 -8.127 3.583 605 HB THR 74 HB THR 74 5.132 -9.617 2.053 606 HG1 THR 74 HG1 THR 74 6.120 -9.039 4.079 607 HG21 THR 74 3HG2 THR 74 6.662 -7.174 1.083 608 HG22 THR 74 1HG2 THR 74 5.483 -8.089 0.138 609 HG23 THR 74 2HG2 THR 74 6.994 -8.849 0.638 610 H TYR 75 H TYR 75 5.098 -6.850 4.966 611 HA TYR 75 HA TYR 75 6.295 -4.343 4.185 612 HB2 TYR 75 2HB TYR 75 4.729 -2.982 5.689 613 HB3 TYR 75 3HB TYR 75 4.031 -3.518 4.171 614 HD1 TYR 75 HD1 TYR 75 4.078 -4.193 7.851 615 HD2 TYR 75 HD2 TYR 75 2.054 -4.919 4.151 616 HE1 TYR 75 HE1 TYR 75 2.206 -5.204 9.069 617 HE2 TYR 75 HE2 TYR 75 0.180 -5.929 5.376 618 HH TYR 75 HH TYR 75 -0.296 -6.953 7.489 619 H THR 76 H THR 76 7.142 -3.179 6.146 620 HA THR 76 HA THR 76 7.508 -4.896 8.515 621 HB THR 76 HB THR 76 9.844 -3.478 7.148 622 HG1 THR 76 HG1 THR 76 9.031 -5.358 6.008 623 HG21 THR 76 3HG2 THR 76 9.797 -5.448 9.474 624 HG22 THR 76 1HG2 THR 76 10.132 -3.715 9.604 625 HG23 THR 76 2HG2 THR 76 11.244 -4.769 8.732 626 H ILE 77 H ILE 77 7.351 -3.835 10.356 627 HA ILE 77 HA ILE 77 7.846 -1.001 10.658 628 HB ILE 77 HB ILE 77 5.466 -0.857 11.932 629 HG12 ILE 77 2HG1 ILE 77 4.869 -2.854 9.693 630 HG13 ILE 77 3HG1 ILE 77 4.737 -3.155 11.423 631 HG21 ILE 77 1HG2 ILE 77 6.210 0.712 10.220 632 HG22 ILE 77 2HG2 ILE 77 4.509 0.309 10.007 633 HG23 ILE 77 3HG2 ILE 77 5.724 -0.409 8.950 634 HD11 ILE 77 3HD1 ILE 77 2.561 -2.802 10.442 635 HD12 ILE 77 1HD1 ILE 77 3.048 -1.217 9.842 636 HD13 ILE 77 2HD1 ILE 77 2.934 -1.512 11.581 637 H ARG 78 H ARG 78 9.097 -1.007 12.351 638 HA ARG 78 HA ARG 78 8.719 -2.938 14.546 639 HB2 ARG 78 2HB ARG 78 11.072 -1.093 13.961 640 HB3 ARG 78 3HB ARG 78 11.011 -2.337 15.198 641 HG2 ARG 78 2HG ARG 78 10.963 -2.812 12.202 642 HG3 ARG 78 3HG ARG 78 12.334 -3.078 13.279 643 HD2 ARG 78 2HD ARG 78 11.090 -4.841 14.460 644 HD3 ARG 78 3HD ARG 78 9.677 -4.544 13.440 645 HE ARG 78 HE ARG 78 12.179 -5.291 12.118 646 HH11 ARG 78 1HH1 ARG 78 8.975 -6.345 13.205 647 HH12 ARG 78 2HH1 ARG 78 8.979 -7.752 12.179 648 HH21 ARG 78 1HH2 ARG 78 12.130 -7.129 10.784 649 HH22 ARG 78 2HH2 ARG 78 10.755 -8.193 10.818 650 H GLY 79 H GLY 79 6.939 -1.908 15.427 651 HA2 GLY 79 2HA GLY 79 7.350 0.716 16.764 652 HA3 GLY 79 3HA GLY 79 5.798 -0.040 16.429 653 H SER 80 H SER 80 6.978 -2.688 17.316 654 HA SER 80 HA SER 80 6.310 -2.455 20.145 655 HB2 SER 80 2HB SER 80 6.934 -4.943 18.487 656 HB3 SER 80 3HB SER 80 6.202 -4.910 20.094 657 HG SER 80 HG SER 80 4.882 -5.008 17.950 658 H LEU 81 H LEU 81 8.993 -1.575 18.877 659 HA LEU 81 HA LEU 81 11.130 -3.124 19.779 660 HB2 LEU 81 2HB LEU 81 10.909 -0.112 19.455 661 HB3 LEU 81 3HB LEU 81 12.427 -0.938 19.772 662 HG LEU 81 HG LEU 81 10.702 -1.362 17.300 663 HD11 LEU 81 1HD1 LEU 81 11.703 0.872 17.320 664 HD12 LEU 81 2HD1 LEU 81 12.430 -0.138 16.075 665 HD13 LEU 81 3HD1 LEU 81 13.305 0.174 17.579 666 HD21 LEU 81 3HD2 LEU 81 13.464 -2.444 17.957 667 HD22 LEU 81 1HD2 LEU 81 12.608 -2.634 16.425 668 HD23 LEU 81 2HD2 LEU 81 11.964 -3.376 17.886 669 H GLU 82 H GLU 82 9.066 -0.886 21.503 670 HA GLU 82 HA GLU 82 10.391 -0.904 24.006 671 HB2 GLU 82 2HB GLU 82 7.409 -0.637 23.391 672 HB3 GLU 82 3HB GLU 82 8.160 -0.267 24.939 673 HG2 GLU 82 2HG GLU 82 9.474 1.536 23.884 674 HG3 GLU 82 3HG GLU 82 8.733 1.171 22.327 675 H HIS 83 H HIS 83 11.134 -3.056 24.208 676 HA HIS 83 HA HIS 83 9.456 -5.360 24.286 677 HB2 HIS 83 2HB HIS 83 11.466 -6.519 25.239 678 HB3 HIS 83 3HB HIS 83 11.777 -5.668 23.739 679 HD1 HIS 83 HD1 HIS 83 13.116 -6.117 27.057 680 HD2 HIS 83 HD2 HIS 83 13.227 -3.108 24.192 681 HE1 HIS 83 HE1 HIS 83 15.113 -4.711 27.627 682 HE2 HIS 83 HE2 HIS 83 15.099 -2.840 25.954 683 H HIS 84 H HIS 84 10.143 -2.914 26.575 684 HA HIS 84 HA HIS 84 8.558 -4.249 28.662 685 HB2 HIS 84 2HB HIS 84 9.728 -1.418 28.487 686 HB3 HIS 84 3HB HIS 84 8.800 -2.030 29.851 687 HD1 HIS 84 HD1 HIS 84 10.340 -2.542 31.745 688 HD2 HIS 84 HD2 HIS 84 12.079 -3.428 28.074 689 HE1 HIS 84 HE1 HIS 84 12.639 -3.412 32.267 690 HE2 HIS 84 HE2 HIS 84 13.608 -4.072 30.048 691 H HIS 85 H HIS 85 6.706 -4.587 27.381 692 HA HIS 85 HA HIS 85 5.451 -2.624 25.744 693 HB2 HIS 85 2HB HIS 85 4.284 -5.200 26.889 694 HB3 HIS 85 3HB HIS 85 3.591 -4.254 25.570 695 HD1 HIS 85 HD1 HIS 85 6.074 -6.869 26.305 696 HD2 HIS 85 HD2 HIS 85 5.143 -4.371 23.114 697 HE1 HIS 85 HE1 HIS 85 7.290 -7.821 24.329 698 HE2 HIS 85 HE2 HIS 85 6.559 -6.402 22.385 699 H HIS 86 H HIS 86 4.926 -3.705 29.076 700 HA HIS 86 HA HIS 86 2.718 -1.908 29.557 701 HB2 HIS 86 2HB HIS 86 3.075 -4.006 30.896 702 HB3 HIS 86 3HB HIS 86 4.521 -3.292 31.600 703 HD1 HIS 86 HD1 HIS 86 4.194 -1.799 33.600 704 HD2 HIS 86 HD2 HIS 86 0.613 -2.678 31.687 705 HE1 HIS 86 HE1 HIS 86 2.397 -0.880 35.090 706 HE2 HIS 86 HE2 HIS 86 0.243 -1.347 33.870 707 H HIS 87 H HIS 87 3.014 0.221 29.590 708 HA HIS 87 HA HIS 87 5.529 1.528 29.636 709 HB2 HIS 87 2HB HIS 87 3.658 2.535 28.459 710 HB3 HIS 87 3HB HIS 87 2.689 2.602 29.930 711 HD1 HIS 87 HD1 HIS 87 3.006 4.631 31.447 712 HD2 HIS 87 HD2 HIS 87 5.798 4.471 28.376 713 HE1 HIS 87 HE1 HIS 87 4.235 6.817 31.543 714 HE2 HIS 87 HE2 HIS 87 5.917 6.696 29.674 715 H HIS 88 H HIS 88 6.779 1.812 31.360 716 HA HIS 88 HA HIS 88 5.921 3.247 33.656 717 HB2 HIS 88 2HB HIS 88 5.201 0.941 34.343 718 HB3 HIS 88 3HB HIS 88 6.863 0.389 34.174 719 HD1 HIS 88 HD1 HIS 88 8.485 0.922 36.083 720 HD2 HIS 88 HD2 HIS 88 4.741 2.647 36.604 721 HE1 HIS 88 HE1 HIS 88 8.436 1.725 38.455 722 HE2 HIS 88 HE2 HIS 88 6.236 2.909 38.691 Start of MODEL 9 1 H1 MET 1 1H MET 1 9.267 1.846 13.049 2 H2 MET 1 2H MET 1 8.017 2.825 12.467 3 H3 MET 1 3H MET 1 8.292 2.692 14.123 4 HA MET 1 HA MET 1 9.086 4.793 13.139 5 HB2 MET 1 2HB MET 1 11.191 4.808 14.381 6 HB3 MET 1 3HB MET 1 10.007 3.872 15.277 7 HG2 MET 1 2HG MET 1 11.056 1.780 14.484 8 HG3 MET 1 3HG MET 1 12.244 2.719 13.581 9 HE1 MET 1 3HE MET 1 14.218 1.095 16.586 10 HE2 MET 1 1HE MET 1 14.060 1.173 14.834 11 HE3 MET 1 2HE MET 1 12.805 0.393 15.799 12 H GLY 2 H GLY 2 11.401 5.584 12.307 13 HA2 GLY 2 2HA GLY 2 12.896 5.777 10.577 14 HA3 GLY 2 3HA GLY 2 12.679 4.061 10.230 15 H GLU 3 H GLU 3 10.792 3.425 9.004 16 HA GLU 3 HA GLU 3 9.055 5.292 7.709 17 HB2 GLU 3 2HB GLU 3 11.253 5.589 6.454 18 HB3 GLU 3 3HB GLU 3 11.128 3.912 5.945 19 HG2 GLU 3 2HG GLU 3 9.012 4.446 4.757 20 HG3 GLU 3 3HG GLU 3 9.177 6.134 5.247 21 H MET 4 H MET 4 7.634 4.032 6.045 22 HA MET 4 HA MET 4 7.482 1.141 6.684 23 HB2 MET 4 2HB MET 4 5.530 2.413 7.575 24 HB3 MET 4 3HB MET 4 5.186 3.022 5.960 25 HG2 MET 4 2HG MET 4 4.685 0.775 5.175 26 HG3 MET 4 3HG MET 4 5.163 0.096 6.733 27 HE1 MET 4 3HE MET 4 1.425 -0.576 7.202 28 HE2 MET 4 1HE MET 4 3.066 -1.155 7.485 29 HE3 MET 4 2HE MET 4 2.474 -0.949 5.835 30 H ASP 5 H ASP 5 7.599 -0.257 4.930 31 HA ASP 5 HA ASP 5 7.255 0.809 2.191 32 HB2 ASP 5 2HB ASP 5 9.547 -0.136 2.755 33 HB3 ASP 5 3HB ASP 5 8.788 -1.681 3.114 34 H ILE 6 H ILE 6 5.416 0.019 1.232 35 HA ILE 6 HA ILE 6 4.108 -2.424 2.303 36 HB ILE 6 HB ILE 6 2.750 -0.001 1.028 37 HG12 ILE 6 2HG1 ILE 6 2.832 -0.871 3.955 38 HG13 ILE 6 3HG1 ILE 6 3.646 0.534 3.282 39 HG21 ILE 6 1HG2 ILE 6 0.633 -1.114 1.694 40 HG22 ILE 6 2HG2 ILE 6 1.546 -2.496 2.294 41 HG23 ILE 6 3HG2 ILE 6 1.557 -2.112 0.571 42 HD11 ILE 6 3HD1 ILE 6 1.443 1.473 2.709 43 HD12 ILE 6 1HD1 ILE 6 1.700 1.225 4.435 44 HD13 ILE 6 2HD1 ILE 6 0.690 0.101 3.529 45 H ARG 7 H ARG 7 4.184 -4.019 0.831 46 HA ARG 7 HA ARG 7 4.661 -3.324 -2.010 47 HB2 ARG 7 2HB ARG 7 6.706 -4.048 -0.681 48 HB3 ARG 7 3HB ARG 7 5.957 -5.632 -0.507 49 HG2 ARG 7 2HG ARG 7 6.101 -6.058 -2.869 50 HG3 ARG 7 3HG ARG 7 6.505 -4.372 -3.215 51 HD2 ARG 7 2HD ARG 7 8.237 -6.408 -1.782 52 HD3 ARG 7 3HD ARG 7 8.532 -5.680 -3.367 53 HE ARG 7 HE ARG 7 8.329 -3.663 -1.365 54 HH11 ARG 7 1HH1 ARG 7 10.620 -6.092 -2.519 55 HH12 ARG 7 2HH1 ARG 7 11.998 -5.218 -1.925 56 HH21 ARG 7 1HH2 ARG 7 10.063 -2.587 -0.567 57 HH22 ARG 7 2HH2 ARG 7 11.678 -3.196 -0.794 58 H PHE 8 H PHE 8 3.215 -4.163 -3.292 59 HA PHE 8 HA PHE 8 1.556 -6.487 -2.501 60 HB2 PHE 8 2HB PHE 8 1.042 -4.237 -4.505 61 HB3 PHE 8 3HB PHE 8 0.008 -5.650 -4.335 62 HD1 PHE 8 HD2 PHE 8 -1.368 -5.975 -2.295 63 HD2 PHE 8 HD1 PHE 8 0.958 -2.422 -2.853 64 HE1 PHE 8 HE2 PHE 8 -2.653 -4.855 -0.529 65 HE2 PHE 8 HE1 PHE 8 -0.333 -1.314 -1.074 66 HZ PHE 8 HZ PHE 8 -2.137 -2.526 0.089 67 H ARG 9 H ARG 9 1.179 -8.090 -4.171 68 HA ARG 9 HA ARG 9 2.639 -7.889 -6.681 69 HB2 ARG 9 2HB ARG 9 4.236 -8.931 -4.904 70 HB3 ARG 9 3HB ARG 9 3.180 -10.335 -4.931 71 HG2 ARG 9 2HG ARG 9 3.630 -10.741 -7.261 72 HG3 ARG 9 3HG ARG 9 4.476 -9.204 -7.425 73 HD2 ARG 9 2HD ARG 9 6.183 -10.132 -5.752 74 HD3 ARG 9 3HD ARG 9 5.404 -11.703 -5.991 75 HE ARG 9 HE ARG 9 6.043 -10.553 -8.499 76 HH11 ARG 9 1HH1 ARG 9 7.649 -12.100 -5.782 77 HH12 ARG 9 2HH1 ARG 9 8.976 -12.675 -6.741 78 HH21 ARG 9 1HH2 ARG 9 7.767 -11.274 -9.734 79 HH22 ARG 9 2HH2 ARG 9 9.040 -12.199 -9.004 80 H GLY 10 H GLY 10 1.596 -9.001 -8.282 81 HA2 GLY 10 2HA GLY 10 -0.207 -11.198 -7.772 82 HA3 GLY 10 3HA GLY 10 -1.041 -9.693 -8.164 83 H ASP 11 H ASP 11 -1.038 -12.127 -9.648 84 HA ASP 11 HA ASP 11 0.620 -12.067 -11.942 85 HB2 ASP 11 2HB ASP 11 -0.762 -14.042 -11.105 86 HB3 ASP 11 3HB ASP 11 -2.197 -13.228 -11.706 87 H ASP 12 H ASP 12 -2.089 -10.157 -10.987 88 HA ASP 12 HA ASP 12 -2.312 -8.930 -13.670 89 HB2 ASP 12 2HB ASP 12 -4.456 -9.791 -12.835 90 HB3 ASP 12 3HB ASP 12 -4.254 -8.919 -11.320 91 H LEU 13 H LEU 13 -1.023 -7.199 -13.811 92 HA LEU 13 HA LEU 13 0.074 -5.662 -11.709 93 HB2 LEU 13 2HB LEU 13 0.904 -6.007 -14.110 94 HB3 LEU 13 3HB LEU 13 -0.267 -4.812 -14.608 95 HG LEU 13 HG LEU 13 2.119 -3.989 -14.437 96 HD11 LEU 13 1HD1 LEU 13 0.314 -2.336 -14.408 97 HD12 LEU 13 2HD1 LEU 13 1.678 -1.822 -13.420 98 HD13 LEU 13 3HD1 LEU 13 0.219 -2.450 -12.648 99 HD21 LEU 13 3HD2 LEU 13 2.850 -5.223 -12.449 100 HD22 LEU 13 1HD2 LEU 13 1.758 -4.274 -11.434 101 HD23 LEU 13 2HD2 LEU 13 3.118 -3.494 -12.246 102 H GLU 14 H GLU 14 -2.972 -5.460 -13.426 103 HA GLU 14 HA GLU 14 -3.570 -2.705 -12.903 104 HB2 GLU 14 2HB GLU 14 -5.290 -5.013 -13.872 105 HB3 GLU 14 3HB GLU 14 -6.037 -3.494 -13.380 106 HG2 GLU 14 2HG GLU 14 -4.567 -2.314 -15.044 107 HG3 GLU 14 3HG GLU 14 -4.044 -3.896 -15.627 108 H ALA 15 H ALA 15 -4.335 -5.752 -11.222 109 HA ALA 15 HA ALA 15 -6.069 -4.772 -9.254 110 HB1 ALA 15 3HB ALA 15 -5.661 -7.169 -9.643 111 HB2 ALA 15 1HB ALA 15 -5.417 -6.758 -7.944 112 HB3 ALA 15 2HB ALA 15 -4.026 -7.009 -9.005 113 H LEU 16 H LEU 16 -2.593 -4.703 -9.512 114 HA LEU 16 HA LEU 16 -1.974 -3.780 -6.897 115 HB2 LEU 16 2HB LEU 16 -0.329 -3.389 -9.426 116 HB3 LEU 16 3HB LEU 16 0.252 -3.343 -7.769 117 HG LEU 16 HG LEU 16 -0.724 -5.803 -9.268 118 HD11 LEU 16 1HD1 LEU 16 2.032 -5.050 -8.265 119 HD12 LEU 16 2HD1 LEU 16 1.494 -5.062 -9.945 120 HD13 LEU 16 3HD1 LEU 16 1.594 -6.572 -9.046 121 HD21 LEU 16 3HD2 LEU 16 0.254 -5.622 -6.403 122 HD22 LEU 16 1HD2 LEU 16 -0.098 -7.108 -7.285 123 HD23 LEU 16 2HD2 LEU 16 -1.397 -5.979 -6.918 124 H GLU 17 H GLU 17 -2.832 -2.212 -9.957 125 HA GLU 17 HA GLU 17 -2.079 0.464 -9.187 126 HB2 GLU 17 2HB GLU 17 -3.894 -0.444 -11.476 127 HB3 GLU 17 3HB GLU 17 -3.189 1.161 -11.288 128 HG2 GLU 17 2HG GLU 17 -0.928 0.219 -11.528 129 HG3 GLU 17 3HG GLU 17 -1.614 -1.395 -11.687 130 H LYS 18 H LYS 18 -5.117 -1.386 -9.091 131 HA LYS 18 HA LYS 18 -6.772 0.811 -8.257 132 HB2 LYS 18 2HB LYS 18 -7.129 -2.199 -8.158 133 HB3 LYS 18 3HB LYS 18 -8.276 -1.140 -7.354 134 HG2 LYS 18 2HG LYS 18 -9.212 -1.714 -9.465 135 HG3 LYS 18 3HG LYS 18 -8.706 -0.028 -9.574 136 HD2 LYS 18 2HD LYS 18 -6.672 -0.723 -10.799 137 HD3 LYS 18 3HD LYS 18 -7.171 -2.411 -10.665 138 HE2 LYS 18 2HE LYS 18 -9.210 -1.872 -11.997 139 HE3 LYS 18 3HE LYS 18 -8.613 -0.224 -12.193 140 HZ1 LYS 18 3HZ LYS 18 -6.595 -1.225 -13.206 141 HZ2 LYS 18 1HZ LYS 18 -8.012 -1.428 -14.102 142 HZ3 LYS 18 2HZ LYS 18 -7.394 -2.712 -13.203 143 H ALA 19 H ALA 19 -5.069 -1.808 -6.524 144 HA ALA 19 HA ALA 19 -5.650 -1.044 -3.881 145 HB1 ALA 19 3HB ALA 19 -3.147 -2.404 -4.942 146 HB2 ALA 19 1HB ALA 19 -4.640 -3.211 -4.457 147 HB3 ALA 19 2HB ALA 19 -3.662 -2.368 -3.253 148 H LEU 20 H LEU 20 -3.001 -0.136 -6.035 149 HA LEU 20 HA LEU 20 -1.415 1.497 -4.473 150 HB2 LEU 20 2HB LEU 20 -0.804 0.792 -6.739 151 HB3 LEU 20 3HB LEU 20 -2.107 1.745 -7.427 152 HG LEU 20 HG LEU 20 -0.957 3.831 -6.708 153 HD11 LEU 20 1HD1 LEU 20 1.350 3.767 -5.864 154 HD12 LEU 20 2HD1 LEU 20 1.262 2.011 -5.735 155 HD13 LEU 20 3HD1 LEU 20 0.220 3.024 -4.735 156 HD21 LEU 20 3HD2 LEU 20 0.886 3.759 -8.330 157 HD22 LEU 20 1HD2 LEU 20 -0.557 2.966 -8.965 158 HD23 LEU 20 2HD2 LEU 20 0.796 1.996 -8.373 159 H LYS 21 H LYS 21 -4.223 2.395 -6.449 160 HA LYS 21 HA LYS 21 -4.205 5.158 -6.138 161 HB2 LYS 21 2HB LYS 21 -5.642 3.901 -7.740 162 HB3 LYS 21 3HB LYS 21 -6.607 3.309 -6.396 163 HG2 LYS 21 2HG LYS 21 -7.022 5.859 -5.888 164 HG3 LYS 21 3HG LYS 21 -6.467 6.097 -7.548 165 HD2 LYS 21 2HD LYS 21 -8.911 5.963 -7.499 166 HD3 LYS 21 3HD LYS 21 -8.257 4.562 -8.351 167 HE2 LYS 21 2HE LYS 21 -8.585 3.162 -6.354 168 HE3 LYS 21 3HE LYS 21 -9.161 4.556 -5.440 169 HZ1 LYS 21 3HZ LYS 21 -10.990 3.213 -6.215 170 HZ2 LYS 21 1HZ LYS 21 -10.482 3.367 -7.815 171 HZ3 LYS 21 2HZ LYS 21 -11.027 4.719 -6.972 172 H GLU 22 H GLU 22 -5.761 2.639 -4.188 173 HA GLU 22 HA GLU 22 -6.954 4.407 -2.313 174 HB2 GLU 22 2HB GLU 22 -6.441 1.428 -2.320 175 HB3 GLU 22 3HB GLU 22 -7.199 2.232 -0.951 176 HG2 GLU 22 2HG GLU 22 -8.250 2.239 -3.788 177 HG3 GLU 22 3HG GLU 22 -8.851 1.221 -2.484 178 H MET 23 H MET 23 -3.902 2.448 -2.150 179 HA MET 23 HA MET 23 -3.278 3.114 0.518 180 HB2 MET 23 2HB MET 23 -1.381 2.407 -1.754 181 HB3 MET 23 3HB MET 23 -0.952 2.411 -0.044 182 HG2 MET 23 2HG MET 23 -2.949 0.599 -1.406 183 HG3 MET 23 3HG MET 23 -1.374 0.145 -0.775 184 HE1 MET 23 3HE MET 23 -0.836 -0.085 1.789 185 HE2 MET 23 1HE MET 23 -1.966 0.322 3.080 186 HE3 MET 23 2HE MET 23 -1.298 1.596 2.058 187 H ILE 24 H ILE 24 -2.348 4.713 -2.509 188 HA ILE 24 HA ILE 24 -0.772 6.810 -1.535 189 HB ILE 24 HB ILE 24 -2.604 6.628 -3.977 190 HG12 ILE 24 2HG1 ILE 24 0.443 6.524 -3.707 191 HG13 ILE 24 3HG1 ILE 24 -0.611 5.167 -4.089 192 HG21 ILE 24 1HG2 ILE 24 -1.572 8.694 -4.861 193 HG22 ILE 24 2HG2 ILE 24 -0.709 8.909 -3.337 194 HG23 ILE 24 3HG2 ILE 24 -2.469 9.003 -3.371 195 HD11 ILE 24 3HD1 ILE 24 -1.216 6.271 -6.210 196 HD12 ILE 24 1HD1 ILE 24 0.511 5.934 -6.076 197 HD13 ILE 24 2HD1 ILE 24 -0.087 7.574 -5.829 198 H ARG 25 H ARG 25 -4.262 6.634 -2.139 199 HA ARG 25 HA ARG 25 -5.117 9.124 -1.284 200 HB2 ARG 25 2HB ARG 25 -6.587 7.673 -2.498 201 HB3 ARG 25 3HB ARG 25 -6.435 6.393 -1.304 202 HG2 ARG 25 2HG ARG 25 -7.671 7.896 0.325 203 HG3 ARG 25 3HG ARG 25 -7.963 8.997 -1.025 204 HD2 ARG 25 2HD ARG 25 -9.181 7.251 -2.228 205 HD3 ARG 25 3HD ARG 25 -8.818 6.083 -0.949 206 HE ARG 25 HE ARG 25 -10.171 8.368 0.086 207 HH11 ARG 25 1HH1 ARG 25 -10.769 5.397 -1.700 208 HH12 ARG 25 2HH1 ARG 25 -12.427 5.291 -1.182 209 HH21 ARG 25 1HH2 ARG 25 -12.311 8.216 0.766 210 HH22 ARG 25 2HH2 ARG 25 -13.304 6.893 0.221 211 H GLN 26 H GLN 26 -4.519 6.177 0.654 212 HA GLN 26 HA GLN 26 -5.628 7.143 3.094 213 HB2 GLN 26 2HB GLN 26 -3.370 5.107 2.922 214 HB3 GLN 26 3HB GLN 26 -4.544 5.296 4.213 215 HG2 GLN 26 2HG GLN 26 -4.978 4.142 1.462 216 HG3 GLN 26 3HG GLN 26 -5.101 3.318 3.005 217 HE21 GLN 26 1HE2 GLN 26 -7.055 3.561 0.791 218 HE22 GLN 26 2HE2 GLN 26 -8.484 4.217 1.507 219 H ALA 27 H ALA 27 -2.231 6.876 1.979 220 HA ALA 27 HA ALA 27 -1.005 8.111 4.182 221 HB1 ALA 27 3HB ALA 27 0.187 6.729 2.556 222 HB2 ALA 27 1HB ALA 27 0.970 8.299 2.734 223 HB3 ALA 27 2HB ALA 27 -0.034 7.967 1.318 224 H ARG 28 H ARG 28 -2.494 9.515 1.347 225 HA ARG 28 HA ARG 28 -1.476 12.182 1.699 226 HB2 ARG 28 2HB ARG 28 -3.736 11.093 -0.024 227 HB3 ARG 28 3HB ARG 28 -3.249 12.788 -0.015 228 HG2 ARG 28 2HG ARG 28 -0.962 12.095 -0.738 229 HG3 ARG 28 3HG ARG 28 -1.539 10.429 -0.852 230 HD2 ARG 28 2HD ARG 28 -1.543 11.444 -3.056 231 HD3 ARG 28 3HD ARG 28 -3.205 11.153 -2.544 232 HE ARG 28 HE ARG 28 -2.892 13.706 -1.808 233 HH11 ARG 28 1HH1 ARG 28 -2.106 12.140 -4.852 234 HH12 ARG 28 2HH1 ARG 28 -2.346 13.574 -5.798 235 HH21 ARG 28 1HH2 ARG 28 -3.240 15.573 -3.023 236 HH22 ARG 28 2HH2 ARG 28 -3.000 15.557 -4.744 237 H LYS 29 H LYS 29 -4.518 10.486 2.567 238 HA LYS 29 HA LYS 29 -5.872 12.855 3.458 239 HB2 LYS 29 2HB LYS 29 -7.670 11.462 4.136 240 HB3 LYS 29 3HB LYS 29 -6.981 10.624 2.755 241 HG2 LYS 29 2HG LYS 29 -5.803 9.090 4.290 242 HG3 LYS 29 3HG LYS 29 -6.523 9.918 5.667 243 HD2 LYS 29 2HD LYS 29 -8.787 9.245 4.823 244 HD3 LYS 29 3HD LYS 29 -7.998 8.342 3.521 245 HE2 LYS 29 2HE LYS 29 -6.846 6.938 5.212 246 HE3 LYS 29 3HE LYS 29 -7.667 7.817 6.501 247 HZ1 LYS 29 3HZ LYS 29 -8.797 5.779 6.076 248 HZ2 LYS 29 1HZ LYS 29 -8.924 6.115 4.427 249 HZ3 LYS 29 2HZ LYS 29 -9.787 7.041 5.545 250 H PHE 30 H PHE 30 -3.790 10.477 4.997 251 HA PHE 30 HA PHE 30 -4.068 11.424 7.700 252 HB2 PHE 30 2HB PHE 30 -1.968 9.667 6.359 253 HB3 PHE 30 3HB PHE 30 -1.974 10.025 8.082 254 HD1 PHE 30 HD1 PHE 30 -4.563 9.630 9.104 255 HD2 PHE 30 HD2 PHE 30 -2.724 7.497 5.887 256 HE1 PHE 30 HE1 PHE 30 -5.988 7.676 9.565 257 HE2 PHE 30 HE2 PHE 30 -4.169 5.559 6.353 258 HZ PHE 30 HZ PHE 30 -5.793 5.642 8.198 259 H ALA 31 H ALA 31 -2.485 12.642 4.955 260 HA ALA 31 HA ALA 31 -1.263 14.469 4.523 261 HB1 ALA 31 3HB ALA 31 -1.467 15.142 7.466 262 HB2 ALA 31 1HB ALA 31 -2.609 15.626 6.213 263 HB3 ALA 31 2HB ALA 31 -0.953 16.237 6.179 264 H GLY 32 H GLY 32 0.229 12.713 4.075 265 HA2 GLY 32 2HA GLY 32 2.825 13.300 5.355 266 HA3 GLY 32 3HA GLY 32 2.304 11.618 5.201 267 H THR 33 H THR 33 4.031 11.106 3.781 268 HA THR 33 HA THR 33 3.663 12.042 0.983 269 HB THR 33 HB THR 33 6.267 11.269 2.396 270 HG1 THR 33 HG1 THR 33 5.017 13.685 1.779 271 HG21 THR 33 3HG2 THR 33 7.425 11.884 0.302 272 HG22 THR 33 1HG2 THR 33 5.870 12.135 -0.494 273 HG23 THR 33 2HG2 THR 33 6.338 10.518 0.038 274 H VAL 34 H VAL 34 3.720 10.410 -0.629 275 HA VAL 34 HA VAL 34 4.233 7.631 0.152 276 HB VAL 34 HB VAL 34 1.841 7.808 0.447 277 HG11 VAL 34 1HG1 VAL 34 0.259 8.528 -1.299 278 HG12 VAL 34 2HG1 VAL 34 1.604 8.949 -2.359 279 HG13 VAL 34 3HG1 VAL 34 1.359 9.834 -0.853 280 HG21 VAL 34 3HG2 VAL 34 1.009 6.123 -1.146 281 HG22 VAL 34 1HG2 VAL 34 2.628 5.718 -0.570 282 HG23 VAL 34 2HG2 VAL 34 2.409 6.399 -2.184 283 H THR 35 H THR 35 5.591 6.810 -1.275 284 HA THR 35 HA THR 35 5.586 7.671 -4.121 285 HB THR 35 HB THR 35 7.988 6.860 -4.124 286 HG1 THR 35 HG1 THR 35 7.612 6.805 -1.290 287 HG21 THR 35 3HG2 THR 35 7.435 9.164 -2.205 288 HG22 THR 35 1HG2 THR 35 7.548 9.283 -3.966 289 HG23 THR 35 2HG2 THR 35 8.966 8.842 -3.019 290 H TYR 36 H TYR 36 6.261 5.853 -5.624 291 HA TYR 36 HA TYR 36 5.875 3.132 -4.653 292 HB2 TYR 36 2HB TYR 36 3.958 2.635 -6.102 293 HB3 TYR 36 3HB TYR 36 3.553 3.930 -4.980 294 HD1 TYR 36 HD2 TYR 36 3.340 6.300 -5.812 295 HD2 TYR 36 HD1 TYR 36 3.989 3.035 -8.515 296 HE1 TYR 36 HE2 TYR 36 2.688 7.723 -7.705 297 HE2 TYR 36 HE1 TYR 36 3.339 4.476 -10.389 298 HH TYR 36 HH TYR 36 2.074 6.519 -10.803 299 H THR 37 H THR 37 6.161 1.511 -6.320 300 HA THR 37 HA THR 37 7.337 2.398 -8.880 301 HB THR 37 HB THR 37 8.470 0.142 -7.143 302 HG1 THR 37 HG1 THR 37 9.305 2.833 -7.553 303 HG21 THR 37 3HG2 THR 37 10.341 0.111 -8.760 304 HG22 THR 37 1HG2 THR 37 9.543 1.355 -9.728 305 HG23 THR 37 2HG2 THR 37 8.817 -0.246 -9.568 306 H LEU 38 H LEU 38 6.075 1.564 -10.474 307 HA LEU 38 HA LEU 38 4.748 -1.060 -10.137 308 HB2 LEU 38 2HB LEU 38 4.479 1.116 -12.258 309 HB3 LEU 38 3HB LEU 38 3.710 -0.458 -12.404 310 HG LEU 38 HG LEU 38 3.156 1.499 -10.137 311 HD11 LEU 38 1HD1 LEU 38 1.469 0.925 -12.590 312 HD12 LEU 38 2HD1 LEU 38 2.351 2.419 -12.260 313 HD13 LEU 38 3HD1 LEU 38 1.008 1.943 -11.222 314 HD21 LEU 38 3HD2 LEU 38 1.729 -1.074 -10.904 315 HD22 LEU 38 1HD2 LEU 38 1.227 0.048 -9.634 316 HD23 LEU 38 2HD2 LEU 38 2.746 -0.830 -9.480 317 H ASP 39 H ASP 39 6.004 -2.789 -10.743 318 HA ASP 39 HA ASP 39 7.612 -2.658 -13.206 319 HB2 ASP 39 2HB ASP 39 9.163 -1.962 -11.354 320 HB3 ASP 39 3HB ASP 39 8.798 -3.454 -10.502 321 H GLY 40 H GLY 40 7.227 -4.495 -14.321 322 HA2 GLY 40 2HA GLY 40 6.728 -6.640 -14.896 323 HA3 GLY 40 3HA GLY 40 7.422 -7.118 -13.352 324 H ASN 41 H ASN 41 6.067 -7.661 -11.681 325 HA ASN 41 HA ASN 41 3.142 -7.322 -11.895 326 HB2 ASN 41 2HB ASN 41 4.625 -9.957 -11.571 327 HB3 ASN 41 3HB ASN 41 2.972 -9.770 -10.990 328 HD21 ASN 41 1HD2 ASN 41 1.311 -9.329 -12.531 329 HD22 ASN 41 2HD2 ASN 41 1.504 -9.807 -14.183 330 H ASP 42 H ASP 42 5.474 -6.247 -10.294 331 HA ASP 42 HA ASP 42 4.335 -6.674 -7.611 332 HB2 ASP 42 2HB ASP 42 6.625 -6.397 -6.642 333 HB3 ASP 42 3HB ASP 42 6.488 -7.827 -7.657 334 H LEU 43 H LEU 43 4.151 -4.925 -6.344 335 HA LEU 43 HA LEU 43 4.765 -2.235 -7.405 336 HB2 LEU 43 2HB LEU 43 2.380 -2.529 -7.524 337 HB3 LEU 43 3HB LEU 43 2.321 -3.300 -5.945 338 HG LEU 43 HG LEU 43 2.889 -1.115 -4.870 339 HD11 LEU 43 1HD1 LEU 43 2.761 0.988 -6.129 340 HD12 LEU 43 2HD1 LEU 43 2.612 0.090 -7.639 341 HD13 LEU 43 3HD1 LEU 43 4.098 -0.011 -6.696 342 HD21 LEU 43 3HD2 LEU 43 0.688 -0.101 -5.176 343 HD22 LEU 43 1HD2 LEU 43 0.574 -1.858 -5.069 344 HD23 LEU 43 2HD2 LEU 43 0.438 -1.057 -6.638 345 H GLU 44 H GLU 44 6.309 -1.317 -6.142 346 HA GLU 44 HA GLU 44 6.489 -1.987 -3.257 347 HB2 GLU 44 2HB GLU 44 8.544 -2.402 -4.566 348 HB3 GLU 44 3HB GLU 44 8.536 -0.741 -5.153 349 HG2 GLU 44 2HG GLU 44 8.730 -0.025 -2.691 350 HG3 GLU 44 3HG GLU 44 9.064 -1.715 -2.327 351 H ILE 45 H ILE 45 5.226 -0.538 -2.194 352 HA ILE 45 HA ILE 45 5.268 2.342 -2.878 353 HB ILE 45 HB ILE 45 3.547 0.821 -0.852 354 HG12 ILE 45 2HG1 ILE 45 2.759 1.886 -3.604 355 HG13 ILE 45 3HG1 ILE 45 3.074 0.194 -3.235 356 HG21 ILE 45 1HG2 ILE 45 2.178 2.877 -0.714 357 HG22 ILE 45 2HG2 ILE 45 3.301 3.698 -1.799 358 HG23 ILE 45 3HG2 ILE 45 3.842 3.177 -0.203 359 HD11 ILE 45 3HD1 ILE 45 0.712 0.629 -3.322 360 HD12 ILE 45 1HD1 ILE 45 0.859 1.878 -2.087 361 HD13 ILE 45 2HD1 ILE 45 1.188 0.190 -1.682 362 H ARG 46 H ARG 46 6.411 3.766 -1.570 363 HA ARG 46 HA ARG 46 7.294 2.869 1.124 364 HB2 ARG 46 2HB ARG 46 8.758 4.777 -0.752 365 HB3 ARG 46 3HB ARG 46 9.286 4.309 0.861 366 HG2 ARG 46 2HG ARG 46 9.466 1.935 0.052 367 HG3 ARG 46 3HG ARG 46 9.078 2.512 -1.572 368 HD2 ARG 46 2HD ARG 46 11.500 2.236 -1.308 369 HD3 ARG 46 3HD ARG 46 11.095 3.939 -1.546 370 HE ARG 46 HE ARG 46 11.175 3.934 1.063 371 HH11 ARG 46 1HH1 ARG 46 13.449 2.271 -1.047 372 HH12 ARG 46 2HH1 ARG 46 14.758 2.386 0.093 373 HH21 ARG 46 1HH2 ARG 46 12.846 4.101 2.519 374 HH22 ARG 46 2HH2 ARG 46 14.417 3.434 2.143 375 H ILE 47 H ILE 47 6.000 3.849 2.514 376 HA ILE 47 HA ILE 47 4.936 6.552 1.981 377 HB ILE 47 HB ILE 47 4.035 4.498 4.060 378 HG12 ILE 47 2HG1 ILE 47 2.859 5.367 1.383 379 HG13 ILE 47 3HG1 ILE 47 3.475 3.771 1.783 380 HG21 ILE 47 1HG2 ILE 47 3.637 6.824 4.844 381 HG22 ILE 47 2HG2 ILE 47 2.111 6.024 4.460 382 HG23 ILE 47 3HG2 ILE 47 2.803 7.191 3.332 383 HD11 ILE 47 3HD1 ILE 47 1.098 3.736 1.702 384 HD12 ILE 47 1HD1 ILE 47 0.982 5.070 2.847 385 HD13 ILE 47 2HD1 ILE 47 1.607 3.507 3.374 386 H THR 48 H THR 48 5.751 8.229 3.005 387 HA THR 48 HA THR 48 7.668 7.879 5.241 388 HB THR 48 HB THR 48 7.799 10.047 3.094 389 HG1 THR 48 HG1 THR 48 9.277 7.622 2.994 390 HG21 THR 48 3HG2 THR 48 9.173 10.427 5.127 391 HG22 THR 48 1HG2 THR 48 10.177 10.177 3.696 392 HG23 THR 48 2HG2 THR 48 9.974 8.875 4.868 393 H GLY 49 H GLY 49 7.766 9.755 6.730 394 HA2 GLY 49 2HA GLY 49 7.161 11.809 7.607 395 HA3 GLY 49 3HA GLY 49 5.925 11.988 6.378 396 H VAL 50 H VAL 50 4.399 9.676 6.840 397 HA VAL 50 HA VAL 50 2.629 10.544 8.795 398 HB VAL 50 HB VAL 50 1.483 8.346 8.545 399 HG11 VAL 50 1HG1 VAL 50 1.009 8.466 6.115 400 HG12 VAL 50 2HG1 VAL 50 2.404 9.525 5.896 401 HG13 VAL 50 3HG1 VAL 50 1.027 10.067 6.858 402 HG21 VAL 50 3HG2 VAL 50 2.393 6.604 7.048 403 HG22 VAL 50 1HG2 VAL 50 3.443 6.867 8.444 404 HG23 VAL 50 2HG2 VAL 50 3.885 7.534 6.871 405 HA PRO 51 HA PRO 51 4.433 9.173 12.676 406 HB2 PRO 51 2HB PRO 51 2.172 9.107 14.283 407 HB3 PRO 51 3HB PRO 51 2.993 10.603 13.795 408 HG2 PRO 51 2HG PRO 51 0.536 9.350 12.653 409 HG3 PRO 51 3HG PRO 51 0.885 11.063 12.967 410 HD2 PRO 51 2HD PRO 51 1.053 9.986 10.476 411 HD3 PRO 51 3HD PRO 51 2.090 11.327 11.007 412 H GLU 52 H GLU 52 4.095 7.538 14.457 413 HA GLU 52 HA GLU 52 4.541 5.032 13.343 414 HB2 GLU 52 2HB GLU 52 5.413 5.865 15.560 415 HB3 GLU 52 3HB GLU 52 3.801 5.640 16.231 416 HG2 GLU 52 2HG GLU 52 5.112 3.753 16.893 417 HG3 GLU 52 3HG GLU 52 3.986 3.195 15.653 418 H GLN 53 H GLN 53 1.768 6.074 15.341 419 HA GLN 53 HA GLN 53 0.223 3.782 15.296 420 HB2 GLN 53 2HB GLN 53 -1.719 5.291 15.755 421 HB3 GLN 53 3HB GLN 53 -0.307 5.654 16.744 422 HG2 GLN 53 2HG GLN 53 0.205 7.618 15.524 423 HG3 GLN 53 3HG GLN 53 -0.880 7.187 14.202 424 HE21 GLN 53 1HE2 GLN 53 -3.114 7.536 14.458 425 HE22 GLN 53 2HE2 GLN 53 -3.749 8.524 15.731 426 H VAL 54 H VAL 54 0.421 6.326 12.857 427 HA VAL 54 HA VAL 54 -1.815 5.483 11.301 428 HB VAL 54 HB VAL 54 0.473 7.417 10.799 429 HG11 VAL 54 1HG1 VAL 54 -0.736 8.216 8.796 430 HG12 VAL 54 2HG1 VAL 54 -1.868 6.871 8.948 431 HG13 VAL 54 3HG1 VAL 54 -0.167 6.556 8.599 432 HG21 VAL 54 3HG2 VAL 54 -1.309 9.117 11.028 433 HG22 VAL 54 1HG2 VAL 54 -1.190 8.104 12.470 434 HG23 VAL 54 2HG2 VAL 54 -2.491 7.836 11.307 435 H ARG 55 H ARG 55 1.694 4.861 11.160 436 HA ARG 55 HA ARG 55 1.733 3.461 8.697 437 HB2 ARG 55 2HB ARG 55 3.488 2.980 11.145 438 HB3 ARG 55 3HB ARG 55 3.831 2.439 9.503 439 HG2 ARG 55 2HG ARG 55 3.931 4.806 8.769 440 HG3 ARG 55 3HG ARG 55 3.671 5.308 10.441 441 HD2 ARG 55 2HD ARG 55 5.774 4.169 11.096 442 HD3 ARG 55 3HD ARG 55 6.040 3.707 9.408 443 HE ARG 55 HE ARG 55 6.396 6.316 10.614 444 HH11 ARG 55 1HH1 ARG 55 6.000 4.629 7.565 445 HH12 ARG 55 2HH1 ARG 55 6.723 5.901 6.638 446 HH21 ARG 55 1HH2 ARG 55 7.304 7.959 9.404 447 HH22 ARG 55 2HH2 ARG 55 7.464 7.791 7.687 448 H LYS 56 H LYS 56 1.133 2.397 12.030 449 HA LYS 56 HA LYS 56 0.706 -0.348 11.535 450 HB2 LYS 56 2HB LYS 56 -0.495 1.369 13.749 451 HB3 LYS 56 3HB LYS 56 -0.317 -0.384 13.773 452 HG2 LYS 56 2HG LYS 56 2.132 -0.165 13.756 453 HG3 LYS 56 3HG LYS 56 1.984 1.586 13.651 454 HD2 LYS 56 2HD LYS 56 2.457 1.245 15.924 455 HD3 LYS 56 3HD LYS 56 0.703 1.407 15.919 456 HE2 LYS 56 2HE LYS 56 2.221 -1.226 15.995 457 HE3 LYS 56 3HE LYS 56 1.491 -0.432 17.385 458 HZ1 LYS 56 3HZ LYS 56 0.055 -1.516 15.028 459 HZ2 LYS 56 1HZ LYS 56 -0.678 -0.663 16.288 460 HZ3 LYS 56 2HZ LYS 56 0.060 -2.153 16.589 461 H GLU 57 H GLU 57 -1.382 2.458 11.167 462 HA GLU 57 HA GLU 57 -3.833 1.012 10.736 463 HB2 GLU 57 2HB GLU 57 -3.091 3.881 10.037 464 HB3 GLU 57 3HB GLU 57 -4.712 3.203 9.891 465 HG2 GLU 57 2HG GLU 57 -4.786 2.778 12.310 466 HG3 GLU 57 3HG GLU 57 -3.145 3.388 12.476 467 H LEU 58 H LEU 58 -1.292 2.302 8.646 468 HA LEU 58 HA LEU 58 -2.450 1.636 6.139 469 HB2 LEU 58 2HB LEU 58 0.307 2.380 7.088 470 HB3 LEU 58 3HB LEU 58 0.190 1.588 5.531 471 HG LEU 58 HG LEU 58 0.291 3.959 5.154 472 HD11 LEU 58 1HD1 LEU 58 -1.750 4.399 3.869 473 HD12 LEU 58 2HD1 LEU 58 -2.557 3.038 4.654 474 HD13 LEU 58 3HD1 LEU 58 -1.159 2.760 3.612 475 HD21 LEU 58 3HD2 LEU 58 -2.101 4.323 6.981 476 HD22 LEU 58 1HD2 LEU 58 -1.329 5.586 6.016 477 HD23 LEU 58 2HD2 LEU 58 -0.439 4.806 7.321 478 H ALA 59 H ALA 59 -0.804 -0.269 8.561 479 HA ALA 59 HA ALA 59 -0.216 -2.579 7.087 480 HB1 ALA 59 3HB ALA 59 0.553 -2.193 9.387 481 HB2 ALA 59 1HB ALA 59 -0.279 -3.740 9.248 482 HB3 ALA 59 2HB ALA 59 -1.098 -2.360 9.987 483 H LYS 60 H LYS 60 -3.223 -1.678 8.828 484 HA LYS 60 HA LYS 60 -4.697 -3.983 8.038 485 HB2 LYS 60 2HB LYS 60 -5.604 -1.285 9.072 486 HB3 LYS 60 3HB LYS 60 -6.769 -2.478 8.522 487 HG2 LYS 60 2HG LYS 60 -6.739 -2.837 10.825 488 HG3 LYS 60 3HG LYS 60 -5.634 -4.079 10.240 489 HD2 LYS 60 2HD LYS 60 -4.640 -3.086 12.205 490 HD3 LYS 60 3HD LYS 60 -3.718 -2.514 10.809 491 HE2 LYS 60 2HE LYS 60 -4.128 -0.663 12.353 492 HE3 LYS 60 3HE LYS 60 -5.001 -0.390 10.850 493 HZ1 LYS 60 3HZ LYS 60 -6.141 -1.327 13.422 494 HZ2 LYS 60 1HZ LYS 60 -7.016 -1.211 11.980 495 HZ3 LYS 60 2HZ LYS 60 -6.376 0.178 12.693 496 H GLU 61 H GLU 61 -4.226 -0.759 6.540 497 HA GLU 61 HA GLU 61 -6.181 -1.047 4.510 498 HB2 GLU 61 2HB GLU 61 -3.608 0.585 4.478 499 HB3 GLU 61 3HB GLU 61 -4.923 0.757 3.322 500 HG2 GLU 61 2HG GLU 61 -4.976 1.390 6.274 501 HG3 GLU 61 3HG GLU 61 -5.116 2.523 4.931 502 H ALA 62 H ALA 62 -2.745 -1.823 4.613 503 HA ALA 62 HA ALA 62 -2.315 -2.706 2.026 504 HB1 ALA 62 3HB ALA 62 -1.069 -3.779 4.585 505 HB2 ALA 62 1HB ALA 62 -0.571 -2.313 3.736 506 HB3 ALA 62 2HB ALA 62 -0.386 -3.883 2.961 507 H GLU 63 H GLU 63 -3.258 -4.671 4.866 508 HA GLU 63 HA GLU 63 -3.371 -7.147 3.454 509 HB2 GLU 63 2HB GLU 63 -4.447 -6.311 6.169 510 HB3 GLU 63 3HB GLU 63 -4.449 -7.975 5.588 511 HG2 GLU 63 2HG GLU 63 -1.987 -7.958 5.468 512 HG3 GLU 63 3HG GLU 63 -1.968 -6.270 5.974 513 H ARG 64 H ARG 64 -5.880 -4.730 4.278 514 HA ARG 64 HA ARG 64 -8.082 -6.434 3.617 515 HB2 ARG 64 2HB ARG 64 -9.516 -4.470 3.788 516 HB3 ARG 64 3HB ARG 64 -8.378 -4.494 5.129 517 HG2 ARG 64 2HG ARG 64 -7.004 -2.804 4.028 518 HG3 ARG 64 3HG ARG 64 -8.088 -2.791 2.641 519 HD2 ARG 64 2HD ARG 64 -8.980 -2.082 5.449 520 HD3 ARG 64 3HD ARG 64 -8.370 -0.892 4.296 521 HE ARG 64 HE ARG 64 -10.737 -2.582 3.719 522 HH11 ARG 64 1HH1 ARG 64 -9.248 0.611 3.884 523 HH12 ARG 64 2HH1 ARG 64 -10.625 1.403 3.170 524 HH21 ARG 64 1HH2 ARG 64 -12.488 -1.540 2.744 525 HH22 ARG 64 2HH2 ARG 64 -12.456 0.188 2.525 526 H LEU 65 H LEU 65 -6.119 -4.116 1.795 527 HA LEU 65 HA LEU 65 -7.718 -4.292 -0.611 528 HB2 LEU 65 2HB LEU 65 -4.927 -3.211 -0.107 529 HB3 LEU 65 3HB LEU 65 -5.755 -3.096 -1.650 530 HG LEU 65 HG LEU 65 -6.644 -1.785 0.952 531 HD11 LEU 65 1HD1 LEU 65 -4.694 -0.731 -0.097 532 HD12 LEU 65 2HD1 LEU 65 -6.107 0.317 -0.145 533 HD13 LEU 65 3HD1 LEU 65 -5.595 -0.541 -1.602 534 HD21 LEU 65 3HD2 LEU 65 -8.419 -0.691 -0.375 535 HD22 LEU 65 1HD2 LEU 65 -8.619 -2.442 -0.348 536 HD23 LEU 65 2HD2 LEU 65 -7.966 -1.653 -1.785 537 H ALA 66 H ALA 66 -4.990 -6.011 0.754 538 HA ALA 66 HA ALA 66 -4.169 -7.409 -1.578 539 HB1 ALA 66 3HB ALA 66 -3.910 -8.261 1.321 540 HB2 ALA 66 1HB ALA 66 -2.769 -7.250 0.432 541 HB3 ALA 66 2HB ALA 66 -3.015 -8.930 -0.047 542 H LYS 67 H LYS 67 -6.499 -8.241 1.007 543 HA LYS 67 HA LYS 67 -7.202 -10.764 -0.218 544 HB2 LYS 67 2HB LYS 67 -8.841 -10.985 1.568 545 HB3 LYS 67 3HB LYS 67 -7.311 -10.432 2.233 546 HG2 LYS 67 2HG LYS 67 -8.238 -8.102 2.285 547 HG3 LYS 67 3HG LYS 67 -9.796 -8.750 1.771 548 HD2 LYS 67 2HD LYS 67 -8.323 -9.428 4.350 549 HD3 LYS 67 3HD LYS 67 -9.758 -8.415 4.207 550 HE2 LYS 67 2HE LYS 67 -11.081 -10.353 3.459 551 HE3 LYS 67 3HE LYS 67 -9.643 -11.378 3.529 552 HZ1 LYS 67 3HZ LYS 67 -9.530 -11.004 5.906 553 HZ2 LYS 67 1HZ LYS 67 -11.041 -11.634 5.490 554 HZ3 LYS 67 2HZ LYS 67 -10.878 -9.993 5.849 555 H GLU 68 H GLU 68 -8.313 -7.467 -0.428 556 HA GLU 68 HA GLU 68 -10.917 -7.874 -1.511 557 HB2 GLU 68 2HB GLU 68 -10.110 -5.729 -0.504 558 HB3 GLU 68 3HB GLU 68 -9.016 -5.509 -1.863 559 HG2 GLU 68 2HG GLU 68 -10.931 -4.084 -2.161 560 HG3 GLU 68 3HG GLU 68 -10.993 -5.360 -3.378 561 H PHE 69 H PHE 69 -7.796 -7.067 -3.064 562 HA PHE 69 HA PHE 69 -8.913 -7.499 -5.749 563 HB2 PHE 69 2HB PHE 69 -6.215 -6.375 -4.864 564 HB3 PHE 69 3HB PHE 69 -6.774 -6.469 -6.535 565 HD1 PHE 69 HD1 PHE 69 -9.106 -5.312 -7.030 566 HD2 PHE 69 HD2 PHE 69 -6.643 -4.352 -3.659 567 HE1 PHE 69 HE1 PHE 69 -10.265 -3.157 -6.782 568 HE2 PHE 69 HE2 PHE 69 -7.811 -2.193 -3.432 569 HZ PHE 69 HZ PHE 69 -9.625 -1.600 -4.988 570 H ASN 70 H ASN 70 -7.618 -9.457 -3.483 571 HA ASN 70 HA ASN 70 -6.768 -11.536 -3.412 572 HB2 ASN 70 2HB ASN 70 -8.705 -11.927 -4.994 573 HB3 ASN 70 3HB ASN 70 -7.592 -11.737 -6.348 574 HD21 ASN 70 1HD2 ASN 70 -8.076 -13.835 -7.042 575 HD22 ASN 70 2HD2 ASN 70 -7.467 -15.242 -6.245 576 H ILE 71 H ILE 71 -4.903 -9.757 -3.530 577 HA ILE 71 HA ILE 71 -2.695 -10.925 -5.129 578 HB ILE 71 HB ILE 71 -1.601 -8.627 -4.983 579 HG12 ILE 71 2HG1 ILE 71 -4.377 -7.782 -4.011 580 HG13 ILE 71 3HG1 ILE 71 -2.860 -7.612 -3.139 581 HG21 ILE 71 1HG2 ILE 71 -4.202 -8.701 -6.548 582 HG22 ILE 71 2HG2 ILE 71 -2.662 -9.383 -7.076 583 HG23 ILE 71 3HG2 ILE 71 -2.827 -7.639 -6.869 584 HD11 ILE 71 3HD1 ILE 71 -3.700 -6.094 -5.608 585 HD12 ILE 71 1HD1 ILE 71 -2.124 -5.953 -4.823 586 HD13 ILE 71 2HD1 ILE 71 -3.587 -5.476 -3.961 587 H THR 72 H THR 72 -0.585 -10.724 -4.025 588 HA THR 72 HA THR 72 -0.747 -11.313 -1.178 589 HB THR 72 HB THR 72 1.806 -11.669 -1.485 590 HG1 THR 72 HG1 THR 72 1.152 -11.586 -4.245 591 HG21 THR 72 3HG2 THR 72 1.548 -13.835 -2.631 592 HG22 THR 72 1HG2 THR 72 -0.050 -13.354 -3.202 593 HG23 THR 72 2HG2 THR 72 0.239 -13.584 -1.476 594 H VAL 73 H VAL 73 0.216 -10.043 0.455 595 HA VAL 73 HA VAL 73 1.613 -7.571 -0.354 596 HB VAL 73 HB VAL 73 -0.767 -7.057 0.377 597 HG11 VAL 73 1HG1 VAL 73 -1.341 -7.085 2.779 598 HG12 VAL 73 2HG1 VAL 73 0.180 -7.901 3.142 599 HG13 VAL 73 3HG1 VAL 73 -1.047 -8.718 2.174 600 HG21 VAL 73 3HG2 VAL 73 1.024 -5.362 0.424 601 HG22 VAL 73 1HG2 VAL 73 1.409 -5.816 2.088 602 HG23 VAL 73 2HG2 VAL 73 -0.160 -5.103 1.705 603 H THR 74 H THR 74 3.297 -6.973 0.919 604 HA THR 74 HA THR 74 3.757 -8.199 3.529 605 HB THR 74 HB THR 74 5.163 -9.539 1.983 606 HG1 THR 74 HG1 THR 74 6.641 -9.517 3.464 607 HG21 THR 74 3HG2 THR 74 5.476 -7.916 0.143 608 HG22 THR 74 1HG2 THR 74 7.027 -8.546 0.712 609 HG23 THR 74 2HG2 THR 74 6.504 -6.931 1.187 610 H TYR 75 H TYR 75 4.362 -6.608 4.942 611 HA TYR 75 HA TYR 75 5.107 -3.948 3.896 612 HB2 TYR 75 2HB TYR 75 3.515 -2.838 5.441 613 HB3 TYR 75 3HB TYR 75 2.671 -3.847 4.272 614 HD1 TYR 75 HD1 TYR 75 3.638 -3.554 7.866 615 HD2 TYR 75 HD2 TYR 75 1.361 -5.787 5.003 616 HE1 TYR 75 HE1 TYR 75 2.490 -4.725 9.685 617 HE2 TYR 75 HE2 TYR 75 0.217 -6.947 6.849 618 HH TYR 75 HH TYR 75 0.440 -7.424 9.153 619 H THR 76 H THR 76 6.283 -2.676 5.373 620 HA THR 76 HA THR 76 7.545 -4.178 7.590 621 HB THR 76 HB THR 76 8.746 -2.040 5.770 622 HG1 THR 76 HG1 THR 76 8.540 -3.893 4.583 623 HG21 THR 76 3HG2 THR 76 10.073 -3.815 7.847 624 HG22 THR 76 1HG2 THR 76 9.806 -2.076 8.010 625 HG23 THR 76 2HG2 THR 76 10.902 -2.692 6.771 626 H ILE 77 H ILE 77 7.008 -3.368 9.530 627 HA ILE 77 HA ILE 77 7.312 -0.519 10.081 628 HB ILE 77 HB ILE 77 5.244 -0.633 11.675 629 HG12 ILE 77 2HG1 ILE 77 4.405 -2.847 9.742 630 HG13 ILE 77 3HG1 ILE 77 4.769 -3.068 11.447 631 HG21 ILE 77 1HG2 ILE 77 4.752 -0.440 8.698 632 HG22 ILE 77 2HG2 ILE 77 5.325 0.859 9.746 633 HG23 ILE 77 3HG2 ILE 77 3.703 0.201 9.963 634 HD11 ILE 77 3HD1 ILE 77 2.384 -3.061 11.064 635 HD12 ILE 77 1HD1 ILE 77 2.476 -1.466 10.314 636 HD13 ILE 77 2HD1 ILE 77 2.845 -1.661 12.030 637 H ARG 78 H ARG 78 8.888 -0.565 11.543 638 HA ARG 78 HA ARG 78 8.874 -2.584 13.700 639 HB2 ARG 78 2HB ARG 78 11.035 -0.610 12.858 640 HB3 ARG 78 3HB ARG 78 11.169 -1.775 14.175 641 HG2 ARG 78 2HG ARG 78 10.793 -3.620 12.504 642 HG3 ARG 78 3HG ARG 78 10.874 -2.411 11.221 643 HD2 ARG 78 2HD ARG 78 13.179 -1.901 11.776 644 HD3 ARG 78 3HD ARG 78 13.097 -2.933 13.213 645 HE ARG 78 HE ARG 78 12.435 -4.556 11.073 646 HH11 ARG 78 1HH1 ARG 78 15.303 -2.764 12.048 647 HH12 ARG 78 2HH1 ARG 78 16.392 -3.848 11.244 648 HH21 ARG 78 1HH2 ARG 78 13.826 -5.947 10.029 649 HH22 ARG 78 2HH2 ARG 78 15.541 -5.679 10.082 650 H GLY 79 H GLY 79 7.260 -1.808 14.915 651 HA2 GLY 79 2HA GLY 79 6.961 1.015 15.540 652 HA3 GLY 79 3HA GLY 79 5.886 -0.287 16.013 653 H SER 80 H SER 80 6.935 -1.863 17.592 654 HA SER 80 HA SER 80 8.568 -0.524 19.632 655 HB2 SER 80 2HB SER 80 6.941 -1.325 21.410 656 HB3 SER 80 3HB SER 80 6.311 -0.047 20.376 657 HG SER 80 HG SER 80 5.726 -2.478 19.344 658 H LEU 81 H LEU 81 10.111 -1.903 18.646 659 HA LEU 81 HA LEU 81 10.010 -4.771 19.257 660 HB2 LEU 81 2HB LEU 81 12.172 -3.078 17.950 661 HB3 LEU 81 3HB LEU 81 12.217 -4.828 18.110 662 HG LEU 81 HG LEU 81 10.318 -3.199 16.384 663 HD11 LEU 81 1HD1 LEU 81 11.357 -4.390 14.517 664 HD12 LEU 81 2HD1 LEU 81 12.453 -5.214 15.629 665 HD13 LEU 81 3HD1 LEU 81 12.544 -3.460 15.429 666 HD21 LEU 81 3HD2 LEU 81 10.287 -6.202 16.853 667 HD22 LEU 81 1HD2 LEU 81 9.345 -5.341 15.632 668 HD23 LEU 81 2HD2 LEU 81 9.042 -5.048 17.340 669 H GLU 82 H GLU 82 10.194 -2.448 21.254 670 HA GLU 82 HA GLU 82 12.719 -2.967 22.590 671 HB2 GLU 82 2HB GLU 82 11.887 -1.274 24.256 672 HB3 GLU 82 3HB GLU 82 12.030 -0.658 22.618 673 HG2 GLU 82 2HG GLU 82 9.645 -0.638 22.320 674 HG3 GLU 82 3HG GLU 82 9.386 -1.568 23.795 675 H HIS 83 H HIS 83 12.825 -4.814 23.786 676 HA HIS 83 HA HIS 83 10.741 -5.331 25.804 677 HB2 HIS 83 2HB HIS 83 11.946 -7.299 24.859 678 HB3 HIS 83 3HB HIS 83 13.483 -6.623 25.385 679 HD1 HIS 83 HD1 HIS 83 10.260 -8.015 26.847 680 HD2 HIS 83 HD2 HIS 83 14.191 -7.286 27.987 681 HE1 HIS 83 HE1 HIS 83 10.518 -9.056 29.116 682 HE2 HIS 83 HE2 HIS 83 12.934 -8.744 29.699 683 H HIS 84 H HIS 84 10.859 -3.158 26.427 684 HA HIS 84 HA HIS 84 13.159 -1.702 27.092 685 HB2 HIS 84 2HB HIS 84 10.770 -0.871 26.494 686 HB3 HIS 84 3HB HIS 84 10.361 -1.160 28.176 687 HD1 HIS 84 HD1 HIS 84 11.964 1.272 25.911 688 HD2 HIS 84 HD2 HIS 84 11.664 0.648 30.009 689 HE1 HIS 84 HE1 HIS 84 12.647 3.435 26.979 690 HE2 HIS 84 HE2 HIS 84 12.403 3.057 29.449 691 H HIS 85 H HIS 85 10.652 -3.006 29.235 692 HA HIS 85 HA HIS 85 12.669 -4.268 30.946 693 HB2 HIS 85 2HB HIS 85 10.480 -2.381 31.944 694 HB3 HIS 85 3HB HIS 85 11.251 -3.560 33.000 695 HD1 HIS 85 HD1 HIS 85 13.942 -3.235 33.232 696 HD2 HIS 85 HD2 HIS 85 11.825 0.031 31.783 697 HE1 HIS 85 HE1 HIS 85 15.467 -1.268 33.506 698 HE2 HIS 85 HE2 HIS 85 14.216 0.668 32.512 699 H HIS 86 H HIS 86 11.295 -5.803 32.549 700 HA HIS 86 HA HIS 86 9.505 -7.417 31.039 701 HB2 HIS 86 2HB HIS 86 9.073 -8.661 33.095 702 HB3 HIS 86 3HB HIS 86 10.790 -8.303 32.996 703 HD1 HIS 86 HD1 HIS 86 11.793 -6.803 34.832 704 HD2 HIS 86 HD2 HIS 86 7.702 -7.390 35.247 705 HE1 HIS 86 HE1 HIS 86 11.222 -5.993 37.129 706 HE2 HIS 86 HE2 HIS 86 8.796 -6.544 37.428 707 H HIS 87 H HIS 87 7.271 -7.361 30.891 708 HA HIS 87 HA HIS 87 6.095 -4.796 31.199 709 HB2 HIS 87 2HB HIS 87 4.059 -5.699 30.223 710 HB3 HIS 87 3HB HIS 87 5.435 -6.351 29.345 711 HD1 HIS 87 HD1 HIS 87 5.685 -8.884 29.284 712 HD2 HIS 87 HD2 HIS 87 2.666 -7.643 31.858 713 HE1 HIS 87 HE1 HIS 87 4.425 -10.959 29.916 714 HE2 HIS 87 HE2 HIS 87 2.527 -10.165 31.346 715 H HIS 88 H HIS 88 4.639 -4.001 32.662 716 HA HIS 88 HA HIS 88 4.440 -5.171 35.262 717 HB2 HIS 88 2HB HIS 88 4.550 -2.759 35.006 718 HB3 HIS 88 3HB HIS 88 3.092 -2.730 34.021 719 HD1 HIS 88 HD1 HIS 88 0.846 -2.747 35.249 720 HD2 HIS 88 HD2 HIS 88 4.079 -3.178 37.825 721 HE1 HIS 88 HE1 HIS 88 -0.091 -2.470 37.554 722 HE2 HIS 88 HE2 HIS 88 1.854 -2.849 39.096 Start of MODEL 10 1 H1 MET 1 1H MET 1 13.712 5.005 6.590 2 H2 MET 1 2H MET 1 15.395 4.988 6.756 3 H3 MET 1 3H MET 1 14.536 6.430 6.974 4 HA MET 1 HA MET 1 14.243 4.020 8.659 5 HB2 MET 1 2HB MET 1 15.553 5.240 10.370 6 HB3 MET 1 3HB MET 1 16.497 4.990 8.908 7 HG2 MET 1 2HG MET 1 16.070 7.326 8.234 8 HG3 MET 1 3HG MET 1 15.134 7.574 9.710 9 HE1 MET 1 3HE MET 1 18.387 9.655 10.378 10 HE2 MET 1 1HE MET 1 16.626 9.692 10.317 11 HE3 MET 1 2HE MET 1 17.557 9.458 8.835 12 H GLY 2 H GLY 2 12.460 6.356 7.351 13 HA2 GLY 2 2HA GLY 2 10.784 6.799 9.754 14 HA3 GLY 2 3HA GLY 2 11.311 8.184 8.803 15 H GLU 3 H GLU 3 10.348 4.982 7.679 16 HA GLU 3 HA GLU 3 7.906 6.005 6.402 17 HB2 GLU 3 2HB GLU 3 8.529 5.217 4.177 18 HB3 GLU 3 3HB GLU 3 9.712 6.387 4.729 19 HG2 GLU 3 2HG GLU 3 10.094 3.380 4.709 20 HG3 GLU 3 3HG GLU 3 10.731 4.498 3.507 21 H MET 4 H MET 4 6.776 4.200 5.233 22 HA MET 4 HA MET 4 7.225 1.509 6.381 23 HB2 MET 4 2HB MET 4 5.191 2.564 7.371 24 HB3 MET 4 3HB MET 4 4.544 2.849 5.765 25 HG2 MET 4 2HG MET 4 4.451 0.400 5.410 26 HG3 MET 4 3HG MET 4 5.046 0.162 7.059 27 HE1 MET 4 3HE MET 4 1.322 -0.840 7.501 28 HE2 MET 4 1HE MET 4 3.001 -1.302 7.765 29 HE3 MET 4 2HE MET 4 2.359 -1.198 6.123 30 H ASP 5 H ASP 5 8.006 0.295 4.657 31 HA ASP 5 HA ASP 5 7.245 0.822 1.937 32 HB2 ASP 5 2HB ASP 5 9.508 -0.058 2.742 33 HB3 ASP 5 3HB ASP 5 8.722 -1.583 3.126 34 H ILE 6 H ILE 6 5.249 0.193 1.265 35 HA ILE 6 HA ILE 6 4.022 -2.299 2.339 36 HB ILE 6 HB ILE 6 2.595 0.128 1.126 37 HG12 ILE 6 2HG1 ILE 6 2.750 -0.751 4.052 38 HG13 ILE 6 3HG1 ILE 6 3.641 0.598 3.363 39 HG21 ILE 6 1HG2 ILE 6 1.464 -2.365 2.464 40 HG22 ILE 6 2HG2 ILE 6 1.387 -1.989 0.741 41 HG23 ILE 6 3HG2 ILE 6 0.518 -0.985 1.901 42 HD11 ILE 6 3HD1 ILE 6 0.661 0.381 3.635 43 HD12 ILE 6 1HD1 ILE 6 1.522 1.714 2.861 44 HD13 ILE 6 2HD1 ILE 6 1.756 1.390 4.578 45 H ARG 7 H ARG 7 4.183 -3.865 0.876 46 HA ARG 7 HA ARG 7 4.758 -3.159 -1.935 47 HB2 ARG 7 2HB ARG 7 6.773 -3.736 -0.544 48 HB3 ARG 7 3HB ARG 7 6.088 -5.333 -0.260 49 HG2 ARG 7 2HG ARG 7 6.267 -5.893 -2.612 50 HG3 ARG 7 3HG ARG 7 6.744 -4.241 -3.016 51 HD2 ARG 7 2HD ARG 7 8.339 -6.215 -1.351 52 HD3 ARG 7 3HD ARG 7 8.694 -5.703 -3.006 53 HE ARG 7 HE ARG 7 8.555 -3.529 -1.105 54 HH11 ARG 7 1HH1 ARG 7 10.726 -5.890 -2.582 55 HH12 ARG 7 2HH1 ARG 7 12.145 -4.967 -2.212 56 HH21 ARG 7 1HH2 ARG 7 10.404 -2.395 -0.577 57 HH22 ARG 7 2HH2 ARG 7 11.962 -2.984 -1.075 58 H PHE 8 H PHE 8 3.325 -4.002 -3.232 59 HA PHE 8 HA PHE 8 1.701 -6.365 -2.484 60 HB2 PHE 8 2HB PHE 8 1.180 -4.087 -4.459 61 HB3 PHE 8 3HB PHE 8 0.170 -5.524 -4.358 62 HD1 PHE 8 HD2 PHE 8 -1.332 -5.882 -2.438 63 HD2 PHE 8 HD1 PHE 8 1.055 -2.337 -2.709 64 HE1 PHE 8 HE2 PHE 8 -2.725 -4.809 -0.717 65 HE2 PHE 8 HE1 PHE 8 -0.342 -1.279 -0.981 66 HZ PHE 8 HZ PHE 8 -2.232 -2.507 0.015 67 H ARG 9 H ARG 9 1.334 -7.961 -4.177 68 HA ARG 9 HA ARG 9 2.792 -7.777 -6.687 69 HB2 ARG 9 2HB ARG 9 4.431 -8.815 -4.991 70 HB3 ARG 9 3HB ARG 9 3.339 -10.183 -4.875 71 HG2 ARG 9 2HG ARG 9 3.654 -10.728 -7.216 72 HG3 ARG 9 3HG ARG 9 4.594 -9.258 -7.480 73 HD2 ARG 9 2HD ARG 9 6.335 -10.157 -5.910 74 HD3 ARG 9 3HD ARG 9 5.407 -11.661 -5.810 75 HE ARG 9 HE ARG 9 5.728 -11.332 -8.476 76 HH11 ARG 9 1HH1 ARG 9 8.089 -11.380 -5.844 77 HH12 ARG 9 2HH1 ARG 9 9.355 -11.996 -6.862 78 HH21 ARG 9 1HH2 ARG 9 7.407 -12.109 -9.763 79 HH22 ARG 9 2HH2 ARG 9 8.969 -12.405 -9.070 80 H GLY 10 H GLY 10 1.719 -8.871 -8.270 81 HA2 GLY 10 2HA GLY 10 -0.120 -11.028 -7.808 82 HA3 GLY 10 3HA GLY 10 -0.960 -9.498 -8.063 83 H ASP 11 H ASP 11 -1.042 -11.853 -9.718 84 HA ASP 11 HA ASP 11 0.621 -11.698 -11.993 85 HB2 ASP 11 2HB ASP 11 -0.638 -13.733 -11.367 86 HB3 ASP 11 3HB ASP 11 -2.156 -12.930 -11.744 87 H ASP 12 H ASP 12 -2.115 -9.810 -11.107 88 HA ASP 12 HA ASP 12 -2.181 -8.553 -13.786 89 HB2 ASP 12 2HB ASP 12 -4.394 -9.405 -13.122 90 HB3 ASP 12 3HB ASP 12 -4.322 -8.496 -11.612 91 H LEU 13 H LEU 13 -0.964 -6.865 -13.851 92 HA LEU 13 HA LEU 13 0.220 -5.441 -11.767 93 HB2 LEU 13 2HB LEU 13 0.735 -5.654 -14.353 94 HB3 LEU 13 3HB LEU 13 -0.250 -4.217 -14.504 95 HG LEU 13 HG LEU 13 2.316 -4.416 -12.867 96 HD11 LEU 13 1HD1 LEU 13 2.791 -4.667 -15.235 97 HD12 LEU 13 2HD1 LEU 13 3.357 -3.097 -14.677 98 HD13 LEU 13 3HD1 LEU 13 1.865 -3.213 -15.617 99 HD21 LEU 13 3HD2 LEU 13 0.870 -2.654 -11.978 100 HD22 LEU 13 1HD2 LEU 13 0.702 -1.946 -13.585 101 HD23 LEU 13 2HD2 LEU 13 2.275 -1.959 -12.779 102 H GLU 14 H GLU 14 -2.947 -5.089 -13.211 103 HA GLU 14 HA GLU 14 -3.266 -2.298 -12.454 104 HB2 GLU 14 2HB GLU 14 -5.245 -4.215 -13.746 105 HB3 GLU 14 3HB GLU 14 -5.639 -2.560 -13.283 106 HG2 GLU 14 2HG GLU 14 -3.611 -1.879 -14.769 107 HG3 GLU 14 3HG GLU 14 -3.752 -3.506 -15.439 108 H ALA 15 H ALA 15 -4.166 -5.470 -11.174 109 HA ALA 15 HA ALA 15 -6.041 -4.619 -9.226 110 HB1 ALA 15 3HB ALA 15 -4.122 -6.988 -9.137 111 HB2 ALA 15 1HB ALA 15 -5.743 -6.996 -9.833 112 HB3 ALA 15 2HB ALA 15 -5.531 -6.768 -8.096 113 H LEU 16 H LEU 16 -2.550 -4.692 -9.360 114 HA LEU 16 HA LEU 16 -1.952 -3.928 -6.686 115 HB2 LEU 16 2HB LEU 16 -0.286 -3.342 -9.166 116 HB3 LEU 16 3HB LEU 16 0.285 -3.434 -7.507 117 HG LEU 16 HG LEU 16 -0.687 -5.752 -9.214 118 HD11 LEU 16 1HD1 LEU 16 1.529 -4.952 -9.839 119 HD12 LEU 16 2HD1 LEU 16 1.630 -6.541 -9.087 120 HD13 LEU 16 3HD1 LEU 16 2.083 -5.101 -8.167 121 HD21 LEU 16 3HD2 LEU 16 0.287 -5.824 -6.344 122 HD22 LEU 16 1HD2 LEU 16 -0.086 -7.220 -7.355 123 HD23 LEU 16 2HD2 LEU 16 -1.368 -6.108 -6.891 124 H GLU 17 H GLU 17 -2.606 -2.168 -9.690 125 HA GLU 17 HA GLU 17 -1.987 0.462 -8.774 126 HB2 GLU 17 2HB GLU 17 -3.725 -0.459 -11.109 127 HB3 GLU 17 3HB GLU 17 -3.244 1.214 -10.828 128 HG2 GLU 17 2HG GLU 17 -0.911 0.685 -11.184 129 HG3 GLU 17 3HG GLU 17 -1.269 -1.042 -11.245 130 H LYS 18 H LYS 18 -4.947 -1.463 -8.664 131 HA LYS 18 HA LYS 18 -6.693 0.677 -7.823 132 HB2 LYS 18 2HB LYS 18 -6.967 -2.339 -7.916 133 HB3 LYS 18 3HB LYS 18 -8.128 -1.404 -6.988 134 HG2 LYS 18 2HG LYS 18 -9.053 -1.875 -9.154 135 HG3 LYS 18 3HG LYS 18 -8.736 -0.143 -9.034 136 HD2 LYS 18 2HD LYS 18 -6.756 -0.355 -10.420 137 HD3 LYS 18 3HD LYS 18 -6.882 -2.120 -10.385 138 HE2 LYS 18 2HE LYS 18 -8.934 -0.281 -11.658 139 HE3 LYS 18 3HE LYS 18 -7.652 -1.119 -12.534 140 HZ1 LYS 18 3HZ LYS 18 -8.603 -3.225 -11.591 141 HZ2 LYS 18 1HZ LYS 18 -9.564 -2.435 -12.733 142 HZ3 LYS 18 2HZ LYS 18 -9.939 -2.318 -11.091 143 H ALA 19 H ALA 19 -4.946 -1.959 -6.126 144 HA ALA 19 HA ALA 19 -5.517 -1.246 -3.473 145 HB1 ALA 19 3HB ALA 19 -3.427 -2.434 -2.905 146 HB2 ALA 19 1HB ALA 19 -2.939 -2.395 -4.607 147 HB3 ALA 19 2HB ALA 19 -4.351 -3.328 -4.113 148 H LEU 20 H LEU 20 -2.924 -0.183 -5.630 149 HA LEU 20 HA LEU 20 -1.496 1.602 -4.043 150 HB2 LEU 20 2HB LEU 20 -0.702 0.764 -6.204 151 HB3 LEU 20 3HB LEU 20 -1.993 1.598 -7.045 152 HG LEU 20 HG LEU 20 -0.963 3.787 -6.431 153 HD11 LEU 20 1HD1 LEU 20 1.308 3.899 -5.522 154 HD12 LEU 20 2HD1 LEU 20 1.306 2.154 -5.259 155 HD13 LEU 20 3HD1 LEU 20 0.183 3.186 -4.369 156 HD21 LEU 20 3HD2 LEU 20 -0.463 2.760 -8.600 157 HD22 LEU 20 1HD2 LEU 20 0.912 1.901 -7.901 158 HD23 LEU 20 2HD2 LEU 20 0.924 3.664 -7.999 159 H LYS 21 H LYS 21 -4.353 2.163 -6.065 160 HA LYS 21 HA LYS 21 -4.608 4.937 -6.016 161 HB2 LYS 21 2HB LYS 21 -6.039 3.409 -7.370 162 HB3 LYS 21 3HB LYS 21 -6.812 2.828 -5.901 163 HG2 LYS 21 2HG LYS 21 -7.581 5.258 -5.525 164 HG3 LYS 21 3HG LYS 21 -7.072 5.569 -7.184 165 HD2 LYS 21 2HD LYS 21 -9.234 3.660 -6.230 166 HD3 LYS 21 3HD LYS 21 -9.452 5.123 -7.187 167 HE2 LYS 21 2HE LYS 21 -8.099 2.564 -8.104 168 HE3 LYS 21 3HE LYS 21 -9.692 3.135 -8.588 169 HZ1 LYS 21 3HZ LYS 21 -8.039 3.611 -10.267 170 HZ2 LYS 21 1HZ LYS 21 -7.129 4.516 -9.169 171 HZ3 LYS 21 2HZ LYS 21 -8.663 5.043 -9.633 172 H GLU 22 H GLU 22 -5.831 2.509 -3.753 173 HA GLU 22 HA GLU 22 -7.028 4.356 -1.929 174 HB2 GLU 22 2HB GLU 22 -6.383 1.393 -1.684 175 HB3 GLU 22 3HB GLU 22 -7.234 2.309 -0.445 176 HG2 GLU 22 2HG GLU 22 -8.188 1.882 -3.290 177 HG3 GLU 22 3HG GLU 22 -8.785 1.037 -1.861 178 H MET 23 H MET 23 -3.859 2.567 -1.936 179 HA MET 23 HA MET 23 -3.110 3.405 0.666 180 HB2 MET 23 2HB MET 23 -1.262 2.600 -1.623 181 HB3 MET 23 3HB MET 23 -0.841 2.639 0.088 182 HG2 MET 23 2HG MET 23 -2.772 0.772 -1.288 183 HG3 MET 23 3HG MET 23 -1.246 0.355 -0.520 184 HE1 MET 23 3HE MET 23 -2.130 0.599 3.272 185 HE2 MET 23 1HE MET 23 -1.336 1.829 2.289 186 HE3 MET 23 2HE MET 23 -0.921 0.127 2.076 187 H ILE 24 H ILE 24 -2.706 4.951 -2.486 188 HA ILE 24 HA ILE 24 -1.089 7.152 -1.612 189 HB ILE 24 HB ILE 24 -2.975 6.935 -4.023 190 HG12 ILE 24 2HG1 ILE 24 0.073 6.747 -3.871 191 HG13 ILE 24 3HG1 ILE 24 -1.021 5.397 -4.132 192 HG21 ILE 24 1HG2 ILE 24 -0.957 9.138 -3.431 193 HG22 ILE 24 2HG2 ILE 24 -2.713 9.312 -3.420 194 HG23 ILE 24 3HG2 ILE 24 -1.869 8.966 -4.930 195 HD11 ILE 24 3HD1 ILE 24 0.025 6.063 -6.194 196 HD12 ILE 24 1HD1 ILE 24 -0.575 7.711 -6.007 197 HD13 ILE 24 2HD1 ILE 24 -1.708 6.382 -6.266 198 H ARG 25 H ARG 25 -4.585 6.616 -2.039 199 HA ARG 25 HA ARG 25 -5.644 9.078 -1.280 200 HB2 ARG 25 2HB ARG 25 -7.032 7.313 -2.248 201 HB3 ARG 25 3HB ARG 25 -6.728 6.256 -0.878 202 HG2 ARG 25 2HG ARG 25 -7.981 7.912 0.569 203 HG3 ARG 25 3HG ARG 25 -8.404 8.787 -0.904 204 HD2 ARG 25 2HD ARG 25 -9.572 6.788 -1.766 205 HD3 ARG 25 3HD ARG 25 -9.124 5.889 -0.310 206 HE ARG 25 HE ARG 25 -10.639 8.343 0.084 207 HH11 ARG 25 1HH1 ARG 25 -10.822 4.829 -0.184 208 HH12 ARG 25 2HH1 ARG 25 -12.370 4.748 0.591 209 HH21 ARG 25 1HH2 ARG 25 -12.669 8.199 1.083 210 HH22 ARG 25 2HH2 ARG 25 -13.416 6.649 1.307 211 H GLN 26 H GLN 26 -4.658 6.323 0.724 212 HA GLN 26 HA GLN 26 -5.496 7.367 3.236 213 HB2 GLN 26 2HB GLN 26 -3.365 5.263 2.655 214 HB3 GLN 26 3HB GLN 26 -4.061 5.598 4.235 215 HG2 GLN 26 2HG GLN 26 -5.490 4.435 1.839 216 HG3 GLN 26 3HG GLN 26 -5.043 3.587 3.310 217 HE21 GLN 26 1HE2 GLN 26 -7.665 4.018 1.994 218 HE22 GLN 26 2HE2 GLN 26 -8.679 4.708 3.209 219 H ALA 27 H ALA 27 -2.347 7.250 1.562 220 HA ALA 27 HA ALA 27 -0.823 8.563 3.540 221 HB1 ALA 27 3HB ALA 27 0.158 7.223 1.740 222 HB2 ALA 27 1HB ALA 27 0.864 8.837 1.781 223 HB3 ALA 27 2HB ALA 27 -0.338 8.428 0.551 224 H ARG 28 H ARG 28 -3.013 9.860 1.145 225 HA ARG 28 HA ARG 28 -2.037 12.590 1.306 226 HB2 ARG 28 2HB ARG 28 -4.631 11.498 0.131 227 HB3 ARG 28 3HB ARG 28 -4.083 13.166 -0.010 228 HG2 ARG 28 2HG ARG 28 -2.058 12.326 -1.262 229 HG3 ARG 28 3HG ARG 28 -2.760 10.717 -1.209 230 HD2 ARG 28 2HD ARG 28 -4.008 13.145 -2.537 231 HD3 ARG 28 3HD ARG 28 -3.208 11.808 -3.365 232 HE ARG 28 HE ARG 28 -5.003 10.347 -2.638 233 HH11 ARG 28 1HH1 ARG 28 -5.665 13.802 -2.369 234 HH12 ARG 28 2HH1 ARG 28 -7.389 13.587 -2.369 235 HH21 ARG 28 1HH2 ARG 28 -7.269 10.100 -2.581 236 HH22 ARG 28 2HH2 ARG 28 -8.289 11.498 -2.489 237 H LYS 29 H LYS 29 -4.860 10.775 2.611 238 HA LYS 29 HA LYS 29 -5.987 13.036 3.987 239 HB2 LYS 29 2HB LYS 29 -7.521 11.415 5.064 240 HB3 LYS 29 3HB LYS 29 -7.449 11.196 3.322 241 HG2 LYS 29 2HG LYS 29 -6.030 9.239 3.573 242 HG3 LYS 29 3HG LYS 29 -5.944 9.477 5.316 243 HD2 LYS 29 2HD LYS 29 -8.503 8.864 3.775 244 HD3 LYS 29 3HD LYS 29 -7.535 7.669 4.640 245 HE2 LYS 29 2HE LYS 29 -7.921 8.919 6.755 246 HE3 LYS 29 3HE LYS 29 -8.944 10.055 5.874 247 HZ1 LYS 29 3HZ LYS 29 -9.455 7.146 6.177 248 HZ2 LYS 29 1HZ LYS 29 -10.439 8.227 5.338 249 HZ3 LYS 29 2HZ LYS 29 -10.250 8.378 7.013 250 H PHE 30 H PHE 30 -3.699 10.531 4.903 251 HA PHE 30 HA PHE 30 -3.613 11.294 7.718 252 HB2 PHE 30 2HB PHE 30 -1.946 9.334 6.082 253 HB3 PHE 30 3HB PHE 30 -1.697 9.616 7.802 254 HD1 PHE 30 HD1 PHE 30 -4.239 9.604 9.057 255 HD2 PHE 30 HD2 PHE 30 -2.968 7.254 5.727 256 HE1 PHE 30 HE1 PHE 30 -5.920 7.893 9.611 257 HE2 PHE 30 HE2 PHE 30 -4.656 5.545 6.285 258 HZ PHE 30 HZ PHE 30 -6.135 5.868 8.227 259 H ALA 31 H ALA 31 -2.440 12.656 4.954 260 HA ALA 31 HA ALA 31 -1.005 14.288 4.433 261 HB1 ALA 31 3HB ALA 31 -0.954 14.850 7.413 262 HB2 ALA 31 1HB ALA 31 -2.146 15.466 6.267 263 HB3 ALA 31 2HB ALA 31 -0.458 15.961 6.132 264 H GLY 32 H GLY 32 0.339 12.439 3.855 265 HA2 GLY 32 2HA GLY 32 3.051 12.758 4.953 266 HA3 GLY 32 3HA GLY 32 2.371 11.138 4.792 267 H THR 33 H THR 33 4.450 11.148 3.412 268 HA THR 33 HA THR 33 4.019 12.080 0.652 269 HB THR 33 HB THR 33 6.492 10.925 2.052 270 HG1 THR 33 HG1 THR 33 5.645 13.545 1.377 271 HG21 THR 33 3HG2 THR 33 6.538 10.383 -0.366 272 HG22 THR 33 1HG2 THR 33 7.759 11.594 0.038 273 HG23 THR 33 2HG2 THR 33 6.261 12.082 -0.754 274 H VAL 34 H VAL 34 3.884 10.542 -1.046 275 HA VAL 34 HA VAL 34 4.067 7.683 -0.393 276 HB VAL 34 HB VAL 34 1.685 8.192 -0.249 277 HG11 VAL 34 1HG1 VAL 34 0.347 9.029 -2.127 278 HG12 VAL 34 2HG1 VAL 34 1.817 9.269 -3.074 279 HG13 VAL 34 3HG1 VAL 34 1.551 10.213 -1.606 280 HG21 VAL 34 3HG2 VAL 34 2.310 6.649 -2.787 281 HG22 VAL 34 1HG2 VAL 34 0.792 6.577 -1.886 282 HG23 VAL 34 2HG2 VAL 34 2.286 5.999 -1.146 283 H THR 35 H THR 35 5.450 6.824 -1.712 284 HA THR 35 HA THR 35 5.683 7.680 -4.542 285 HB THR 35 HB THR 35 8.020 6.632 -2.858 286 HG1 THR 35 HG1 THR 35 7.122 9.309 -3.219 287 HG21 THR 35 3HG2 THR 35 7.949 8.264 -5.426 288 HG22 THR 35 1HG2 THR 35 8.286 6.532 -5.327 289 HG23 THR 35 2HG2 THR 35 9.398 7.691 -4.596 290 H TYR 36 H TYR 36 6.403 5.818 -5.947 291 HA TYR 36 HA TYR 36 6.167 3.149 -4.823 292 HB2 TYR 36 2HB TYR 36 4.301 2.452 -6.297 293 HB3 TYR 36 3HB TYR 36 3.808 3.682 -5.146 294 HD1 TYR 36 HD2 TYR 36 3.160 5.936 -5.913 295 HD2 TYR 36 HD1 TYR 36 4.380 2.953 -8.733 296 HE1 TYR 36 HE2 TYR 36 2.267 7.297 -7.749 297 HE2 TYR 36 HE1 TYR 36 3.479 4.325 -10.562 298 HH TYR 36 HH TYR 36 1.899 6.104 -10.935 299 H THR 37 H THR 37 6.576 1.459 -6.351 300 HA THR 37 HA THR 37 7.827 2.211 -8.918 301 HB THR 37 HB THR 37 8.960 0.233 -6.871 302 HG1 THR 37 HG1 THR 37 9.541 2.880 -7.589 303 HG21 THR 37 3HG2 THR 37 9.358 -0.598 -9.171 304 HG22 THR 37 1HG2 THR 37 10.865 -0.035 -8.444 305 HG23 THR 37 2HG2 THR 37 10.029 0.967 -9.630 306 H LEU 38 H LEU 38 6.421 1.368 -10.358 307 HA LEU 38 HA LEU 38 5.237 -1.307 -10.001 308 HB2 LEU 38 2HB LEU 38 4.840 0.878 -12.090 309 HB3 LEU 38 3HB LEU 38 4.083 -0.703 -12.213 310 HG LEU 38 HG LEU 38 3.605 1.247 -9.922 311 HD11 LEU 38 1HD1 LEU 38 1.833 0.682 -12.322 312 HD12 LEU 38 2HD1 LEU 38 2.715 2.178 -11.999 313 HD13 LEU 38 3HD1 LEU 38 1.409 1.681 -10.928 314 HD21 LEU 38 3HD2 LEU 38 2.194 -1.344 -10.630 315 HD22 LEU 38 1HD2 LEU 38 1.715 -0.225 -9.352 316 HD23 LEU 38 2HD2 LEU 38 3.258 -1.068 -9.248 317 H ASP 39 H ASP 39 6.499 -2.978 -10.622 318 HA ASP 39 HA ASP 39 8.022 -2.839 -13.155 319 HB2 ASP 39 2HB ASP 39 9.612 -2.546 -11.234 320 HB3 ASP 39 3HB ASP 39 9.059 -4.070 -10.549 321 H GLY 40 H GLY 40 6.748 -4.171 -14.357 322 HA2 GLY 40 2HA GLY 40 6.100 -6.155 -15.284 323 HA3 GLY 40 3HA GLY 40 7.024 -6.987 -14.045 324 H ASN 41 H ASN 41 5.963 -7.424 -11.992 325 HA ASN 41 HA ASN 41 3.033 -7.159 -11.858 326 HB2 ASN 41 2HB ASN 41 4.534 -9.801 -11.848 327 HB3 ASN 41 3HB ASN 41 2.955 -9.646 -11.082 328 HD21 ASN 41 1HD2 ASN 41 1.220 -8.776 -12.468 329 HD22 ASN 41 2HD2 ASN 41 1.166 -9.301 -14.113 330 H ASP 42 H ASP 42 5.499 -6.101 -10.412 331 HA ASP 42 HA ASP 42 4.427 -6.587 -7.712 332 HB2 ASP 42 2HB ASP 42 6.711 -6.608 -6.733 333 HB3 ASP 42 3HB ASP 42 6.415 -7.973 -7.794 334 H LEU 43 H LEU 43 4.466 -4.922 -6.354 335 HA LEU 43 HA LEU 43 5.106 -2.210 -7.344 336 HB2 LEU 43 2HB LEU 43 2.733 -2.482 -7.547 337 HB3 LEU 43 3HB LEU 43 2.612 -3.326 -6.012 338 HG LEU 43 HG LEU 43 3.067 -1.200 -4.806 339 HD11 LEU 43 1HD1 LEU 43 3.005 0.146 -7.517 340 HD12 LEU 43 2HD1 LEU 43 4.411 -0.018 -6.466 341 HD13 LEU 43 3HD1 LEU 43 3.039 0.960 -5.951 342 HD21 LEU 43 3HD2 LEU 43 0.766 -1.917 -5.217 343 HD22 LEU 43 1HD2 LEU 43 0.747 -1.039 -6.749 344 HD23 LEU 43 2HD2 LEU 43 0.889 -0.160 -5.224 345 H GLU 44 H GLU 44 6.459 -1.162 -5.994 346 HA GLU 44 HA GLU 44 6.647 -1.881 -3.115 347 HB2 GLU 44 2HB GLU 44 8.764 -2.261 -4.321 348 HB3 GLU 44 3HB GLU 44 8.702 -0.644 -5.019 349 HG2 GLU 44 2HG GLU 44 8.804 0.219 -2.581 350 HG3 GLU 44 3HG GLU 44 9.264 -1.424 -2.144 351 H ILE 45 H ILE 45 5.153 -0.442 -2.205 352 HA ILE 45 HA ILE 45 5.202 2.433 -2.895 353 HB ILE 45 HB ILE 45 3.475 1.028 -0.787 354 HG12 ILE 45 2HG1 ILE 45 2.667 1.717 -3.652 355 HG13 ILE 45 3HG1 ILE 45 3.075 0.100 -3.091 356 HG21 ILE 45 1HG2 ILE 45 2.031 3.032 -0.930 357 HG22 ILE 45 2HG2 ILE 45 3.135 3.754 -2.101 358 HG23 ILE 45 3HG2 ILE 45 3.675 3.460 -0.448 359 HD11 ILE 45 3HD1 ILE 45 0.687 0.392 -3.229 360 HD12 ILE 45 1HD1 ILE 45 0.757 1.766 -2.124 361 HD13 ILE 45 2HD1 ILE 45 1.179 0.148 -1.555 362 H ARG 46 H ARG 46 6.164 3.947 -1.545 363 HA ARG 46 HA ARG 46 7.042 3.169 1.182 364 HB2 ARG 46 2HB ARG 46 8.409 5.177 -0.674 365 HB3 ARG 46 3HB ARG 46 8.966 4.681 0.921 366 HG2 ARG 46 2HG ARG 46 9.379 2.390 0.053 367 HG3 ARG 46 3HG ARG 46 8.825 2.907 -1.540 368 HD2 ARG 46 2HD ARG 46 10.680 4.613 -1.561 369 HD3 ARG 46 3HD ARG 46 11.276 3.909 -0.053 370 HE ARG 46 HE ARG 46 10.976 1.943 -2.106 371 HH11 ARG 46 1HH1 ARG 46 13.157 4.499 -1.022 372 HH12 ARG 46 2HH1 ARG 46 14.547 3.783 -1.772 373 HH21 ARG 46 1HH2 ARG 46 12.812 1.036 -3.093 374 HH22 ARG 46 2HH2 ARG 46 14.353 1.826 -2.943 375 H ILE 47 H ILE 47 5.588 4.092 2.487 376 HA ILE 47 HA ILE 47 4.575 6.820 1.960 377 HB ILE 47 HB ILE 47 3.439 4.725 3.873 378 HG12 ILE 47 2HG1 ILE 47 2.470 5.677 1.130 379 HG13 ILE 47 3HG1 ILE 47 3.104 4.082 1.510 380 HG21 ILE 47 1HG2 ILE 47 1.524 6.282 4.130 381 HG22 ILE 47 2HG2 ILE 47 2.339 7.462 3.100 382 HG23 ILE 47 3HG2 ILE 47 3.028 7.036 4.667 383 HD11 ILE 47 3HD1 ILE 47 0.512 5.256 2.488 384 HD12 ILE 47 1HD1 ILE 47 1.158 3.678 2.952 385 HD13 ILE 47 2HD1 ILE 47 0.728 3.998 1.273 386 H THR 48 H THR 48 5.636 8.357 2.974 387 HA THR 48 HA THR 48 7.349 7.739 5.315 388 HB THR 48 HB THR 48 7.854 9.835 3.142 389 HG1 THR 48 HG1 THR 48 8.206 7.107 3.077 390 HG21 THR 48 3HG2 THR 48 9.769 8.548 5.130 391 HG22 THR 48 1HG2 THR 48 9.122 10.188 5.254 392 HG23 THR 48 2HG2 THR 48 10.189 9.756 3.917 393 H GLY 49 H GLY 49 7.716 9.548 6.811 394 HA2 GLY 49 2HA GLY 49 7.368 11.640 7.771 395 HA3 GLY 49 3HA GLY 49 6.127 11.997 6.584 396 H VAL 50 H VAL 50 4.508 9.681 7.001 397 HA VAL 50 HA VAL 50 2.968 10.331 9.260 398 HB VAL 50 HB VAL 50 1.727 8.219 8.839 399 HG11 VAL 50 1HG1 VAL 50 1.152 10.206 7.510 400 HG12 VAL 50 2HG1 VAL 50 0.907 8.734 6.572 401 HG13 VAL 50 3HG1 VAL 50 2.324 9.745 6.273 402 HG21 VAL 50 3HG2 VAL 50 2.343 6.696 7.000 403 HG22 VAL 50 1HG2 VAL 50 3.598 6.735 8.240 404 HG23 VAL 50 2HG2 VAL 50 3.831 7.608 6.724 405 HA PRO 51 HA PRO 51 5.386 8.190 12.468 406 HB2 PRO 51 2HB PRO 51 3.524 8.254 14.495 407 HB3 PRO 51 3HB PRO 51 4.459 9.681 14.003 408 HG2 PRO 51 2HG PRO 51 1.656 8.928 13.264 409 HG3 PRO 51 3HG PRO 51 2.305 10.513 13.742 410 HD2 PRO 51 2HD PRO 51 1.845 9.863 11.139 411 HD3 PRO 51 3HD PRO 51 3.171 10.950 11.627 412 H GLU 52 H GLU 52 5.172 6.179 13.843 413 HA GLU 52 HA GLU 52 4.352 4.121 12.073 414 HB2 GLU 52 2HB GLU 52 6.361 3.937 13.549 415 HB3 GLU 52 3HB GLU 52 5.297 3.760 14.944 416 HG2 GLU 52 2HG GLU 52 4.358 1.694 13.975 417 HG3 GLU 52 3HG GLU 52 5.382 1.888 12.554 418 H GLN 53 H GLN 53 2.788 5.552 14.858 419 HA GLN 53 HA GLN 53 0.769 3.677 15.381 420 HB2 GLN 53 2HB GLN 53 -0.579 5.575 16.243 421 HB3 GLN 53 3HB GLN 53 1.083 5.660 16.811 422 HG2 GLN 53 2HG GLN 53 1.606 7.489 15.383 423 HG3 GLN 53 3HG GLN 53 0.165 7.237 14.397 424 HE21 GLN 53 1HE2 GLN 53 -1.856 7.941 15.189 425 HE22 GLN 53 2HE2 GLN 53 -1.981 9.097 16.469 426 H VAL 54 H VAL 54 1.010 6.153 12.877 427 HA VAL 54 HA VAL 54 -1.604 5.712 11.734 428 HB VAL 54 HB VAL 54 0.818 7.285 10.732 429 HG11 VAL 54 1HG1 VAL 54 -0.526 6.596 8.802 430 HG12 VAL 54 2HG1 VAL 54 -0.686 8.329 9.075 431 HG13 VAL 54 3HG1 VAL 54 -1.987 7.239 9.561 432 HG21 VAL 54 3HG2 VAL 54 -0.194 8.214 12.770 433 HG22 VAL 54 1HG2 VAL 54 -1.780 8.241 11.994 434 HG23 VAL 54 2HG2 VAL 54 -0.483 9.279 11.394 435 H ARG 55 H ARG 55 1.722 4.666 11.104 436 HA ARG 55 HA ARG 55 1.319 3.336 8.641 437 HB2 ARG 55 2HB ARG 55 3.315 2.702 10.850 438 HB3 ARG 55 3HB ARG 55 3.393 2.095 9.204 439 HG2 ARG 55 2HG ARG 55 3.730 4.373 8.347 440 HG3 ARG 55 3HG ARG 55 3.573 5.019 9.984 441 HD2 ARG 55 2HD ARG 55 5.568 3.419 10.552 442 HD3 ARG 55 3HD ARG 55 5.821 3.384 8.806 443 HE ARG 55 HE ARG 55 5.756 6.007 9.218 444 HH11 ARG 55 1HH1 ARG 55 7.418 3.486 10.997 445 HH12 ARG 55 2HH1 ARG 55 8.710 4.510 11.513 446 HH21 ARG 55 1HH2 ARG 55 7.420 7.399 9.983 447 HH22 ARG 55 2HH2 ARG 55 8.713 6.739 10.936 448 H LYS 56 H LYS 56 0.696 2.349 11.981 449 HA LYS 56 HA LYS 56 0.149 -0.388 11.572 450 HB2 LYS 56 2HB LYS 56 -1.161 1.518 13.568 451 HB3 LYS 56 3HB LYS 56 -1.262 -0.238 13.639 452 HG2 LYS 56 2HG LYS 56 1.260 1.405 13.915 453 HG3 LYS 56 3HG LYS 56 0.370 0.666 15.240 454 HD2 LYS 56 2HD LYS 56 0.902 -1.580 14.366 455 HD3 LYS 56 3HD LYS 56 1.722 -0.861 12.975 456 HE2 LYS 56 2HE LYS 56 3.412 0.126 14.437 457 HE3 LYS 56 3HE LYS 56 2.569 -0.470 15.868 458 HZ1 LYS 56 3HZ LYS 56 3.777 -2.186 13.758 459 HZ2 LYS 56 1HZ LYS 56 3.021 -2.728 15.168 460 HZ3 LYS 56 2HZ LYS 56 4.465 -1.857 15.266 461 H GLU 57 H GLU 57 -1.868 2.514 11.160 462 HA GLU 57 HA GLU 57 -4.317 1.225 10.505 463 HB2 GLU 57 2HB GLU 57 -3.409 3.937 9.411 464 HB3 GLU 57 3HB GLU 57 -5.064 3.383 9.636 465 HG2 GLU 57 2HG GLU 57 -3.063 4.088 11.788 466 HG3 GLU 57 3HG GLU 57 -4.510 4.995 11.348 467 H LEU 58 H LEU 58 -1.603 2.426 8.573 468 HA LEU 58 HA LEU 58 -2.552 1.810 5.986 469 HB2 LEU 58 2HB LEU 58 0.180 2.361 7.149 470 HB3 LEU 58 3HB LEU 58 0.079 1.738 5.519 471 HG LEU 58 HG LEU 58 0.310 4.124 5.381 472 HD11 LEU 58 1HD1 LEU 58 -1.661 4.769 4.088 473 HD12 LEU 58 2HD1 LEU 58 -2.560 3.395 4.736 474 HD13 LEU 58 3HD1 LEU 58 -1.150 3.126 3.708 475 HD21 LEU 58 3HD2 LEU 58 -0.449 4.786 7.601 476 HD22 LEU 58 1HD2 LEU 58 -2.121 4.410 7.174 477 HD23 LEU 58 2HD2 LEU 58 -1.271 5.730 6.362 478 H ALA 59 H ALA 59 -1.006 -0.206 8.415 479 HA ALA 59 HA ALA 59 -0.387 -2.457 6.833 480 HB1 ALA 59 3HB ALA 59 -1.205 -2.368 9.763 481 HB2 ALA 59 1HB ALA 59 0.434 -2.185 9.137 482 HB3 ALA 59 2HB ALA 59 -0.412 -3.721 8.949 483 H LYS 60 H LYS 60 -3.334 -1.546 8.620 484 HA LYS 60 HA LYS 60 -4.768 -3.958 7.998 485 HB2 LYS 60 2HB LYS 60 -5.591 -1.332 9.277 486 HB3 LYS 60 3HB LYS 60 -6.798 -2.541 8.861 487 HG2 LYS 60 2HG LYS 60 -6.241 -2.786 11.197 488 HG3 LYS 60 3HG LYS 60 -5.615 -4.189 10.326 489 HD2 LYS 60 2HD LYS 60 -3.358 -3.117 10.306 490 HD3 LYS 60 3HD LYS 60 -4.015 -1.780 11.253 491 HE2 LYS 60 2HE LYS 60 -2.817 -3.323 12.688 492 HE3 LYS 60 3HE LYS 60 -4.536 -3.360 13.083 493 HZ1 LYS 60 3HZ LYS 60 -3.512 -5.580 12.987 494 HZ2 LYS 60 1HZ LYS 60 -3.145 -5.346 11.351 495 HZ3 LYS 60 2HZ LYS 60 -4.758 -5.417 11.856 496 H GLU 61 H GLU 61 -4.490 -0.791 6.496 497 HA GLU 61 HA GLU 61 -6.614 -1.115 4.608 498 HB2 GLU 61 2HB GLU 61 -4.145 0.674 4.517 499 HB3 GLU 61 3HB GLU 61 -5.464 0.747 3.353 500 HG2 GLU 61 2HG GLU 61 -5.624 1.348 6.313 501 HG3 GLU 61 3HG GLU 61 -5.721 2.515 4.996 502 H ALA 62 H ALA 62 -3.129 -1.789 4.582 503 HA ALA 62 HA ALA 62 -2.841 -2.760 1.966 504 HB1 ALA 62 3HB ALA 62 -0.804 -3.857 2.810 505 HB2 ALA 62 1HB ALA 62 -1.340 -3.598 4.474 506 HB3 ALA 62 2HB ALA 62 -0.948 -2.222 3.445 507 H GLU 63 H GLU 63 -3.778 -4.444 4.973 508 HA GLU 63 HA GLU 63 -3.884 -7.084 3.977 509 HB2 GLU 63 2HB GLU 63 -5.349 -5.828 6.339 510 HB3 GLU 63 3HB GLU 63 -5.267 -7.560 6.024 511 HG2 GLU 63 2HG GLU 63 -2.814 -7.514 6.299 512 HG3 GLU 63 3HG GLU 63 -2.881 -5.774 6.570 513 H ARG 64 H ARG 64 -6.456 -4.598 4.289 514 HA ARG 64 HA ARG 64 -8.585 -6.359 3.515 515 HB2 ARG 64 2HB ARG 64 -10.043 -4.394 3.481 516 HB3 ARG 64 3HB ARG 64 -9.024 -4.363 4.915 517 HG2 ARG 64 2HG ARG 64 -7.525 -2.741 3.761 518 HG3 ARG 64 3HG ARG 64 -8.650 -2.710 2.405 519 HD2 ARG 64 2HD ARG 64 -9.396 -1.946 5.242 520 HD3 ARG 64 3HD ARG 64 -8.861 -0.794 4.020 521 HE ARG 64 HE ARG 64 -11.204 -2.461 3.426 522 HH11 ARG 64 1HH1 ARG 64 -9.939 0.720 4.291 523 HH12 ARG 64 2HH1 ARG 64 -11.414 1.538 3.880 524 HH21 ARG 64 1HH2 ARG 64 -13.121 -1.364 2.902 525 HH22 ARG 64 2HH2 ARG 64 -13.210 0.358 3.096 526 H LEU 65 H LEU 65 -6.450 -4.171 1.738 527 HA LEU 65 HA LEU 65 -7.859 -4.413 -0.782 528 HB2 LEU 65 2HB LEU 65 -5.022 -3.494 -0.167 529 HB3 LEU 65 3HB LEU 65 -5.823 -3.318 -1.724 530 HG LEU 65 HG LEU 65 -6.775 -2.011 0.855 531 HD11 LEU 65 1HD1 LEU 65 -4.624 -1.087 0.161 532 HD12 LEU 65 2HD1 LEU 65 -5.920 0.090 -0.016 533 HD13 LEU 65 3HD1 LEU 65 -5.275 -0.730 -1.441 534 HD21 LEU 65 3HD2 LEU 65 -8.253 -0.672 -0.595 535 HD22 LEU 65 1HD2 LEU 65 -8.625 -2.393 -0.680 536 HD23 LEU 65 2HD2 LEU 65 -7.742 -1.617 -1.996 537 H ALA 66 H ALA 66 -5.210 -6.103 0.825 538 HA ALA 66 HA ALA 66 -4.217 -7.617 -1.346 539 HB1 ALA 66 3HB ALA 66 -4.227 -8.348 1.601 540 HB2 ALA 66 1HB ALA 66 -3.018 -7.352 0.791 541 HB3 ALA 66 2HB ALA 66 -3.192 -9.051 0.352 542 H LYS 67 H LYS 67 -6.699 -8.379 1.093 543 HA LYS 67 HA LYS 67 -7.307 -10.992 0.068 544 HB2 LYS 67 2HB LYS 67 -9.113 -11.030 1.707 545 HB3 LYS 67 3HB LYS 67 -7.667 -10.358 2.448 546 HG2 LYS 67 2HG LYS 67 -8.650 -8.054 2.017 547 HG3 LYS 67 3HG LYS 67 -10.146 -8.861 1.558 548 HD2 LYS 67 2HD LYS 67 -8.798 -8.997 4.285 549 HD3 LYS 67 3HD LYS 67 -10.243 -8.074 3.886 550 HE2 LYS 67 2HE LYS 67 -11.447 -10.191 3.408 551 HE3 LYS 67 3HE LYS 67 -9.997 -11.098 3.852 552 HZ1 LYS 67 3HZ LYS 67 -11.538 -10.994 5.704 553 HZ2 LYS 67 1HZ LYS 67 -11.551 -9.303 5.650 554 HZ3 LYS 67 2HZ LYS 67 -10.137 -10.125 6.083 555 H GLU 68 H GLU 68 -8.459 -7.769 -0.617 556 HA GLU 68 HA GLU 68 -10.966 -8.459 -1.823 557 HB2 GLU 68 2HB GLU 68 -10.582 -6.254 -0.807 558 HB3 GLU 68 3HB GLU 68 -9.309 -5.903 -1.969 559 HG2 GLU 68 2HG GLU 68 -11.478 -4.742 -2.435 560 HG3 GLU 68 3HG GLU 68 -10.893 -5.728 -3.771 561 H PHE 69 H PHE 69 -7.803 -7.450 -3.185 562 HA PHE 69 HA PHE 69 -8.682 -8.120 -5.914 563 HB2 PHE 69 2HB PHE 69 -6.025 -6.917 -4.988 564 HB3 PHE 69 3HB PHE 69 -6.612 -7.001 -6.648 565 HD1 PHE 69 HD1 PHE 69 -8.907 -5.748 -7.133 566 HD2 PHE 69 HD2 PHE 69 -6.435 -4.949 -3.736 567 HE1 PHE 69 HE1 PHE 69 -10.050 -3.603 -6.787 568 HE2 PHE 69 HE2 PHE 69 -7.579 -2.795 -3.409 569 HZ PHE 69 HZ PHE 69 -9.396 -2.126 -4.928 570 H ASN 70 H ASN 70 -7.614 -9.879 -3.418 571 HA ASN 70 HA ASN 70 -6.492 -11.772 -2.970 572 HB2 ASN 70 2HB ASN 70 -8.328 -12.542 -4.617 573 HB3 ASN 70 3HB ASN 70 -7.065 -12.644 -5.836 574 HD21 ASN 70 1HD2 ASN 70 -8.664 -14.819 -4.935 575 HD22 ASN 70 2HD2 ASN 70 -7.628 -15.980 -4.188 576 H ILE 71 H ILE 71 -4.816 -9.781 -3.482 577 HA ILE 71 HA ILE 71 -2.516 -10.934 -4.955 578 HB ILE 71 HB ILE 71 -1.600 -8.584 -4.985 579 HG12 ILE 71 2HG1 ILE 71 -4.349 -7.845 -3.862 580 HG13 ILE 71 3HG1 ILE 71 -2.794 -7.594 -3.077 581 HG21 ILE 71 1HG2 ILE 71 -3.033 -7.750 -6.809 582 HG22 ILE 71 2HG2 ILE 71 -4.305 -8.880 -6.348 583 HG23 ILE 71 3HG2 ILE 71 -2.767 -9.489 -6.964 584 HD11 ILE 71 3HD1 ILE 71 -2.203 -5.961 -4.824 585 HD12 ILE 71 1HD1 ILE 71 -3.659 -5.514 -3.935 586 HD13 ILE 71 2HD1 ILE 71 -3.794 -6.192 -5.558 587 H THR 72 H THR 72 -0.406 -10.623 -3.936 588 HA THR 72 HA THR 72 -0.460 -11.200 -1.096 589 HB THR 72 HB THR 72 2.078 -11.450 -1.472 590 HG1 THR 72 HG1 THR 72 2.563 -11.700 -3.802 591 HG21 THR 72 3HG2 THR 72 1.908 -13.573 -2.724 592 HG22 THR 72 1HG2 THR 72 0.265 -13.158 -3.222 593 HG23 THR 72 2HG2 THR 72 0.633 -13.438 -1.518 594 H VAL 73 H VAL 73 0.312 -9.827 0.505 595 HA VAL 73 HA VAL 73 1.751 -7.390 -0.302 596 HB VAL 73 HB VAL 73 -0.671 -6.798 0.239 597 HG11 VAL 73 1HG1 VAL 73 0.083 -7.463 3.108 598 HG12 VAL 73 2HG1 VAL 73 -1.074 -8.348 2.111 599 HG13 VAL 73 3HG1 VAL 73 -1.410 -6.679 2.575 600 HG21 VAL 73 3HG2 VAL 73 1.415 -5.483 2.021 601 HG22 VAL 73 1HG2 VAL 73 -0.094 -4.763 1.453 602 HG23 VAL 73 2HG2 VAL 73 1.186 -5.147 0.303 603 H THR 74 H THR 74 3.307 -6.761 1.040 604 HA THR 74 HA THR 74 3.673 -7.937 3.690 605 HB THR 74 HB THR 74 5.167 -9.290 2.248 606 HG1 THR 74 HG1 THR 74 5.961 -8.806 4.289 607 HG21 THR 74 3HG2 THR 74 5.512 -7.704 0.372 608 HG22 THR 74 1HG2 THR 74 7.047 -8.311 1.003 609 HG23 THR 74 2HG2 THR 74 6.502 -6.685 1.419 610 H TYR 75 H TYR 75 4.397 -6.350 5.097 611 HA TYR 75 HA TYR 75 5.028 -3.692 4.021 612 HB2 TYR 75 2HB TYR 75 3.368 -2.728 5.763 613 HB3 TYR 75 3HB TYR 75 2.712 -3.364 4.268 614 HD1 TYR 75 HD1 TYR 75 3.262 -4.289 7.886 615 HD2 TYR 75 HD2 TYR 75 0.972 -4.997 4.341 616 HE1 TYR 75 HE1 TYR 75 1.708 -5.700 9.166 617 HE2 TYR 75 HE2 TYR 75 -0.576 -6.402 5.629 618 HH TYR 75 HH TYR 75 -0.654 -7.679 7.660 619 H THR 76 H THR 76 6.363 -2.478 5.313 620 HA THR 76 HA THR 76 7.772 -4.009 7.396 621 HB THR 76 HB THR 76 8.630 -1.508 5.846 622 HG1 THR 76 HG1 THR 76 8.354 -3.699 4.756 623 HG21 THR 76 3HG2 THR 76 9.821 -1.720 8.022 624 HG22 THR 76 1HG2 THR 76 10.915 -2.031 6.671 625 HG23 THR 76 2HG2 THR 76 10.273 -3.375 7.615 626 H ILE 77 H ILE 77 7.041 -3.590 9.362 627 HA ILE 77 HA ILE 77 7.291 -0.946 10.502 628 HB ILE 77 HB ILE 77 5.084 -1.298 11.878 629 HG12 ILE 77 2HG1 ILE 77 4.367 -2.978 9.430 630 HG13 ILE 77 3HG1 ILE 77 4.509 -3.555 11.086 631 HG21 ILE 77 1HG2 ILE 77 5.408 0.602 10.391 632 HG22 ILE 77 2HG2 ILE 77 3.741 0.032 10.336 633 HG23 ILE 77 3HG2 ILE 77 4.847 -0.353 9.017 634 HD11 ILE 77 3HD1 ILE 77 2.599 -2.164 11.730 635 HD12 ILE 77 1HD1 ILE 77 2.194 -3.311 10.454 636 HD13 ILE 77 2HD1 ILE 77 2.447 -1.610 10.058 637 H ARG 78 H ARG 78 7.636 -1.029 12.732 638 HA ARG 78 HA ARG 78 8.767 -3.599 13.606 639 HB2 ARG 78 2HB ARG 78 9.189 -0.837 14.834 640 HB3 ARG 78 3HB ARG 78 10.169 -2.279 15.075 641 HG2 ARG 78 2HG ARG 78 9.992 -0.573 12.575 642 HG3 ARG 78 3HG ARG 78 11.374 -0.747 13.652 643 HD2 ARG 78 2HD ARG 78 10.225 -2.893 11.837 644 HD3 ARG 78 3HD ARG 78 11.721 -1.996 11.580 645 HE ARG 78 HE ARG 78 12.541 -3.078 13.685 646 HH11 ARG 78 1HH1 ARG 78 10.110 -4.693 11.718 647 HH12 ARG 78 2HH1 ARG 78 10.539 -6.278 12.278 648 HH21 ARG 78 1HH2 ARG 78 13.067 -5.193 14.423 649 HH22 ARG 78 2HH2 ARG 78 12.198 -6.554 13.794 650 H GLY 79 H GLY 79 8.334 -4.400 15.723 651 HA2 GLY 79 2HA GLY 79 5.614 -3.761 16.694 652 HA3 GLY 79 3HA GLY 79 6.494 -5.260 16.944 653 H SER 80 H SER 80 7.936 -5.435 18.669 654 HA SER 80 HA SER 80 7.811 -3.294 20.706 655 HB2 SER 80 2HB SER 80 6.511 -5.304 21.362 656 HB3 SER 80 3HB SER 80 7.933 -6.325 21.116 657 HG SER 80 HG SER 80 7.717 -4.182 22.972 658 H LEU 81 H LEU 81 9.691 -2.626 19.266 659 HA LEU 81 HA LEU 81 12.222 -3.946 19.709 660 HB2 LEU 81 2HB LEU 81 11.565 -1.213 18.557 661 HB3 LEU 81 3HB LEU 81 13.204 -1.820 18.725 662 HG LEU 81 HG LEU 81 11.028 -2.877 16.890 663 HD11 LEU 81 1HD1 LEU 81 12.227 -0.914 16.084 664 HD12 LEU 81 2HD1 LEU 81 12.619 -2.330 15.117 665 HD13 LEU 81 3HD1 LEU 81 13.778 -1.733 16.311 666 HD21 LEU 81 3HD2 LEU 81 12.146 -4.840 17.809 667 HD22 LEU 81 1HD2 LEU 81 13.732 -4.158 17.430 668 HD23 LEU 81 2HD2 LEU 81 12.624 -4.608 16.131 669 H GLU 82 H GLU 82 10.306 -1.681 21.494 670 HA GLU 82 HA GLU 82 12.194 -0.397 23.116 671 HB2 GLU 82 2HB GLU 82 9.446 -1.460 23.900 672 HB3 GLU 82 3HB GLU 82 10.408 -0.386 24.907 673 HG2 GLU 82 2HG GLU 82 10.260 1.385 23.225 674 HG3 GLU 82 3HG GLU 82 9.367 0.309 22.149 675 H HIS 83 H HIS 83 11.088 -3.691 23.131 676 HA HIS 83 HA HIS 83 12.260 -4.610 25.555 677 HB2 HIS 83 2HB HIS 83 10.423 -5.718 24.101 678 HB3 HIS 83 3HB HIS 83 11.711 -6.265 23.039 679 HD1 HIS 83 HD1 HIS 83 9.637 -7.659 25.368 680 HD2 HIS 83 HD2 HIS 83 13.777 -7.666 25.048 681 HE1 HIS 83 HE1 HIS 83 10.409 -9.646 26.687 682 HE2 HIS 83 HE2 HIS 83 12.911 -9.666 26.427 683 H HIS 84 H HIS 84 13.360 -4.510 22.146 684 HA HIS 84 HA HIS 84 15.861 -5.833 22.625 685 HB2 HIS 84 2HB HIS 84 14.712 -5.936 20.419 686 HB3 HIS 84 3HB HIS 84 14.999 -4.214 20.186 687 HD1 HIS 84 HD1 HIS 84 17.298 -3.539 19.307 688 HD2 HIS 84 HD2 HIS 84 17.090 -7.563 20.308 689 HE1 HIS 84 HE1 HIS 84 19.404 -4.560 18.423 690 HE2 HIS 84 HE2 HIS 84 19.351 -6.943 19.214 691 H HIS 85 H HIS 85 15.324 -2.428 21.417 692 HA HIS 85 HA HIS 85 17.724 -1.478 22.642 693 HB2 HIS 85 2HB HIS 85 17.037 0.788 22.036 694 HB3 HIS 85 3HB HIS 85 16.821 -0.290 20.675 695 HD1 HIS 85 HD1 HIS 85 14.505 -0.368 19.626 696 HD2 HIS 85 HD2 HIS 85 14.584 1.849 23.133 697 HE1 HIS 85 HE1 HIS 85 12.336 0.882 19.694 698 HE2 HIS 85 HE2 HIS 85 12.481 2.324 21.726 699 H HIS 86 H HIS 86 17.698 -2.159 24.711 700 HA HIS 86 HA HIS 86 15.396 -1.852 26.438 701 HB2 HIS 86 2HB HIS 86 16.930 -3.874 26.395 702 HB3 HIS 86 3HB HIS 86 18.181 -2.880 27.126 703 HD1 HIS 86 HD1 HIS 86 15.070 -4.757 27.904 704 HD2 HIS 86 HD2 HIS 86 17.723 -2.235 29.868 705 HE1 HIS 86 HE1 HIS 86 14.544 -4.986 30.345 706 HE2 HIS 86 HE2 HIS 86 15.961 -3.240 31.454 707 H HIS 87 H HIS 87 15.209 0.387 26.480 708 HA HIS 87 HA HIS 87 17.280 2.131 27.502 709 HB2 HIS 87 2HB HIS 87 15.607 3.936 27.236 710 HB3 HIS 87 3HB HIS 87 15.744 2.962 25.777 711 HD1 HIS 87 HD1 HIS 87 13.404 3.737 28.604 712 HD2 HIS 87 HD2 HIS 87 13.384 1.640 25.014 713 HE1 HIS 87 HE1 HIS 87 10.996 3.210 28.146 714 HE2 HIS 87 HE2 HIS 87 11.031 1.790 26.074 715 H HIS 88 H HIS 88 14.520 0.436 28.786 716 HA HIS 88 HA HIS 88 15.034 1.499 31.494 717 HB2 HIS 88 2HB HIS 88 12.854 2.361 30.587 718 HB3 HIS 88 3HB HIS 88 12.303 0.703 30.360 719 HD1 HIS 88 HD1 HIS 88 13.097 3.208 33.059 720 HD2 HIS 88 HD2 HIS 88 11.363 -0.549 32.687 721 HE1 HIS 88 HE1 HIS 88 12.068 2.713 35.293 722 HE2 HIS 88 HE2 HIS 88 11.171 0.378 35.085 Start of MODEL 11 1 H1 MET 1 1H MET 1 9.843 5.417 13.648 2 H2 MET 1 2H MET 1 9.843 4.459 15.033 3 H3 MET 1 3H MET 1 9.173 3.864 13.608 4 HA MET 1 HA MET 1 12.018 4.555 14.004 5 HB2 MET 1 2HB MET 1 10.607 1.859 14.016 6 HB3 MET 1 3HB MET 1 12.349 2.029 13.854 7 HG2 MET 1 2HG MET 1 12.394 3.194 16.052 8 HG3 MET 1 3HG MET 1 10.666 2.871 16.214 9 HE1 MET 1 3HE MET 1 12.981 2.069 18.329 10 HE2 MET 1 1HE MET 1 12.495 0.435 18.780 11 HE3 MET 1 2HE MET 1 11.282 1.705 18.648 12 H GLY 2 H GLY 2 12.685 5.359 12.153 13 HA2 GLY 2 2HA GLY 2 13.191 5.645 9.956 14 HA3 GLY 2 3HA GLY 2 12.816 3.942 9.726 15 H GLU 3 H GLU 3 11.385 3.699 8.148 16 HA GLU 3 HA GLU 3 8.891 5.245 8.072 17 HB2 GLU 3 2HB GLU 3 9.034 5.496 5.603 18 HB3 GLU 3 3HB GLU 3 10.332 6.364 6.413 19 HG2 GLU 3 2HG GLU 3 11.945 4.650 5.801 20 HG3 GLU 3 3HG GLU 3 10.671 3.625 5.147 21 H MET 4 H MET 4 7.428 4.128 6.298 22 HA MET 4 HA MET 4 7.564 1.189 6.747 23 HB2 MET 4 2HB MET 4 5.629 2.239 7.884 24 HB3 MET 4 3HB MET 4 5.109 2.982 6.376 25 HG2 MET 4 2HG MET 4 4.669 0.742 5.433 26 HG3 MET 4 3HG MET 4 5.202 0.003 6.949 27 HE1 MET 4 3HE MET 4 2.416 -0.836 5.845 28 HE2 MET 4 1HE MET 4 1.386 -0.640 7.264 29 HE3 MET 4 2HE MET 4 2.999 -1.328 7.437 30 H ASP 5 H ASP 5 7.412 -0.144 4.979 31 HA ASP 5 HA ASP 5 6.827 1.027 2.333 32 HB2 ASP 5 2HB ASP 5 8.289 -0.702 1.347 33 HB3 ASP 5 3HB ASP 5 9.195 0.296 2.473 34 H ILE 6 H ILE 6 5.251 -0.025 1.203 35 HA ILE 6 HA ILE 6 4.155 -2.575 2.258 36 HB ILE 6 HB ILE 6 2.506 -0.332 0.960 37 HG12 ILE 6 2HG1 ILE 6 2.587 -1.078 3.932 38 HG13 ILE 6 3HG1 ILE 6 3.340 0.352 3.235 39 HG21 ILE 6 1HG2 ILE 6 1.588 -2.596 0.606 40 HG22 ILE 6 2HG2 ILE 6 0.550 -1.670 1.687 41 HG23 ILE 6 3HG2 ILE 6 1.625 -2.905 2.345 42 HD11 ILE 6 3HD1 ILE 6 1.250 0.903 4.300 43 HD12 ILE 6 1HD1 ILE 6 0.391 -0.251 3.279 44 HD13 ILE 6 2HD1 ILE 6 1.141 1.179 2.560 45 H ARG 7 H ARG 7 4.900 -4.021 0.740 46 HA ARG 7 HA ARG 7 4.718 -3.330 -2.113 47 HB2 ARG 7 2HB ARG 7 6.869 -4.287 -1.438 48 HB3 ARG 7 3HB ARG 7 6.076 -5.697 -0.738 49 HG2 ARG 7 2HG ARG 7 5.233 -6.293 -3.027 50 HG3 ARG 7 3HG ARG 7 6.150 -4.943 -3.688 51 HD2 ARG 7 2HD ARG 7 7.403 -7.236 -2.149 52 HD3 ARG 7 3HD ARG 7 7.255 -7.201 -3.906 53 HE ARG 7 HE ARG 7 8.780 -5.159 -2.378 54 HH11 ARG 7 1HH1 ARG 7 8.564 -7.410 -5.073 55 HH12 ARG 7 2HH1 ARG 7 10.093 -6.937 -5.742 56 HH21 ARG 7 1HH2 ARG 7 10.780 -4.560 -3.261 57 HH22 ARG 7 2HH2 ARG 7 11.353 -5.320 -4.714 58 H PHE 8 H PHE 8 3.215 -4.171 -3.365 59 HA PHE 8 HA PHE 8 1.542 -6.458 -2.537 60 HB2 PHE 8 2HB PHE 8 0.927 -4.150 -4.450 61 HB3 PHE 8 3HB PHE 8 -0.099 -5.568 -4.251 62 HD1 PHE 8 HD2 PHE 8 -1.157 -6.018 -1.989 63 HD2 PHE 8 HD1 PHE 8 0.727 -2.296 -2.941 64 HE1 PHE 8 HE2 PHE 8 -2.367 -4.933 -0.154 65 HE2 PHE 8 HE1 PHE 8 -0.482 -1.228 -1.091 66 HZ PHE 8 HZ PHE 8 -2.034 -2.543 0.303 67 H ARG 9 H ARG 9 1.627 -8.235 -3.886 68 HA ARG 9 HA ARG 9 2.866 -7.950 -6.561 69 HB2 ARG 9 2HB ARG 9 4.384 -9.131 -4.837 70 HB3 ARG 9 3HB ARG 9 3.197 -10.426 -4.788 71 HG2 ARG 9 2HG ARG 9 3.496 -10.854 -7.181 72 HG3 ARG 9 3HG ARG 9 4.621 -9.502 -7.308 73 HD2 ARG 9 2HD ARG 9 6.107 -10.755 -5.653 74 HD3 ARG 9 3HD ARG 9 5.039 -12.145 -5.879 75 HE ARG 9 HE ARG 9 6.924 -11.010 -7.805 76 HH11 ARG 9 1HH1 ARG 9 4.321 -13.323 -7.339 77 HH12 ARG 9 2HH1 ARG 9 4.723 -14.234 -8.760 78 HH21 ARG 9 1HH2 ARG 9 7.417 -12.204 -9.671 79 HH22 ARG 9 2HH2 ARG 9 6.466 -13.602 -10.074 80 H GLY 10 H GLY 10 1.523 -8.617 -8.145 81 HA2 GLY 10 2HA GLY 10 -0.488 -10.703 -7.663 82 HA3 GLY 10 3HA GLY 10 -1.100 -9.090 -8.009 83 H ASP 11 H ASP 11 -1.251 -11.668 -9.426 84 HA ASP 11 HA ASP 11 0.220 -11.755 -11.802 85 HB2 ASP 11 2HB ASP 11 -1.067 -13.664 -11.008 86 HB3 ASP 11 3HB ASP 11 -2.571 -12.762 -11.109 87 H ASP 12 H ASP 12 -2.517 -9.795 -10.896 88 HA ASP 12 HA ASP 12 -2.783 -8.670 -13.620 89 HB2 ASP 12 2HB ASP 12 -4.857 -9.579 -12.415 90 HB3 ASP 12 3HB ASP 12 -4.660 -8.291 -11.232 91 H LEU 13 H LEU 13 -1.345 -7.046 -13.830 92 HA LEU 13 HA LEU 13 -0.109 -5.541 -11.785 93 HB2 LEU 13 2HB LEU 13 0.763 -5.950 -14.099 94 HB3 LEU 13 3HB LEU 13 -0.433 -4.854 -14.743 95 HG LEU 13 HG LEU 13 1.975 -3.984 -14.592 96 HD11 LEU 13 1HD1 LEU 13 -0.080 -2.251 -13.199 97 HD12 LEU 13 2HD1 LEU 13 0.095 -2.445 -14.942 98 HD13 LEU 13 3HD1 LEU 13 1.392 -1.702 -14.011 99 HD21 LEU 13 3HD2 LEU 13 2.586 -4.843 -12.372 100 HD22 LEU 13 1HD2 LEU 13 1.406 -3.771 -11.614 101 HD23 LEU 13 2HD2 LEU 13 2.804 -3.097 -12.456 102 H GLU 14 H GLU 14 -3.140 -5.102 -13.451 103 HA GLU 14 HA GLU 14 -3.490 -2.312 -12.814 104 HB2 GLU 14 2HB GLU 14 -5.461 -4.398 -13.828 105 HB3 GLU 14 3HB GLU 14 -5.903 -2.729 -13.493 106 HG2 GLU 14 2HG GLU 14 -5.581 -2.882 -15.838 107 HG3 GLU 14 3HG GLU 14 -4.203 -1.999 -15.192 108 H ALA 15 H ALA 15 -4.393 -5.412 -11.319 109 HA ALA 15 HA ALA 15 -6.158 -4.482 -9.332 110 HB1 ALA 15 3HB ALA 15 -5.920 -6.857 -9.895 111 HB2 ALA 15 1HB ALA 15 -5.626 -6.607 -8.174 112 HB3 ALA 15 2HB ALA 15 -4.270 -6.863 -9.270 113 H LEU 16 H LEU 16 -2.655 -4.708 -9.475 114 HA LEU 16 HA LEU 16 -1.979 -3.912 -6.855 115 HB2 LEU 16 2HB LEU 16 -0.462 -3.340 -9.439 116 HB3 LEU 16 3HB LEU 16 0.210 -3.255 -7.816 117 HG LEU 16 HG LEU 16 -0.743 -5.784 -9.220 118 HD11 LEU 16 1HD1 LEU 16 1.626 -6.421 -9.232 119 HD12 LEU 16 2HD1 LEU 16 2.063 -4.872 -8.506 120 HD13 LEU 16 3HD1 LEU 16 1.362 -4.924 -10.124 121 HD21 LEU 16 3HD2 LEU 16 -1.165 -5.939 -6.811 122 HD22 LEU 16 1HD2 LEU 16 0.510 -5.491 -6.471 123 HD23 LEU 16 2HD2 LEU 16 0.147 -7.008 -7.294 124 H GLU 17 H GLU 17 -2.758 -2.094 -9.779 125 HA GLU 17 HA GLU 17 -2.071 0.503 -8.770 126 HB2 GLU 17 2HB GLU 17 -3.755 -0.238 -11.202 127 HB3 GLU 17 3HB GLU 17 -3.079 1.353 -10.853 128 HG2 GLU 17 2HG GLU 17 -0.798 0.446 -11.033 129 HG3 GLU 17 3HG GLU 17 -1.463 -1.156 -11.356 130 H LYS 18 H LYS 18 -5.071 -1.384 -8.790 131 HA LYS 18 HA LYS 18 -6.764 0.795 -7.938 132 HB2 LYS 18 2HB LYS 18 -7.140 -2.210 -8.053 133 HB3 LYS 18 3HB LYS 18 -8.284 -1.227 -7.153 134 HG2 LYS 18 2HG LYS 18 -9.246 -1.579 -9.293 135 HG3 LYS 18 3HG LYS 18 -8.700 0.097 -9.266 136 HD2 LYS 18 2HD LYS 18 -6.685 -0.559 -10.563 137 HD3 LYS 18 3HD LYS 18 -7.261 -2.229 -10.588 138 HE2 LYS 18 2HE LYS 18 -9.284 -1.462 -11.849 139 HE3 LYS 18 3HE LYS 18 -8.608 0.168 -11.890 140 HZ1 LYS 18 3HZ LYS 18 -6.681 -0.759 -13.073 141 HZ2 LYS 18 1HZ LYS 18 -8.121 -0.946 -13.932 142 HZ3 LYS 18 2HZ LYS 18 -7.442 -2.263 -13.123 143 H ALA 19 H ALA 19 -5.009 -1.825 -6.265 144 HA ALA 19 HA ALA 19 -5.591 -1.089 -3.596 145 HB1 ALA 19 3HB ALA 19 -4.507 -3.219 -4.186 146 HB2 ALA 19 1HB ALA 19 -3.554 -2.341 -2.988 147 HB3 ALA 19 2HB ALA 19 -3.050 -2.355 -4.683 148 H LEU 20 H LEU 20 -3.002 -0.086 -5.780 149 HA LEU 20 HA LEU 20 -1.493 1.646 -4.207 150 HB2 LEU 20 2HB LEU 20 -0.807 0.849 -6.433 151 HB3 LEU 20 3HB LEU 20 -2.121 1.731 -7.188 152 HG LEU 20 HG LEU 20 -1.034 3.878 -6.489 153 HD11 LEU 20 1HD1 LEU 20 0.219 3.097 -4.545 154 HD12 LEU 20 2HD1 LEU 20 1.282 3.885 -5.706 155 HD13 LEU 20 3HD1 LEU 20 1.266 2.125 -5.586 156 HD21 LEU 20 3HD2 LEU 20 -0.684 2.988 -8.751 157 HD22 LEU 20 1HD2 LEU 20 0.717 2.067 -8.189 158 HD23 LEU 20 2HD2 LEU 20 0.750 3.833 -8.174 159 H LYS 21 H LYS 21 -4.358 2.241 -6.180 160 HA LYS 21 HA LYS 21 -4.622 5.005 -6.045 161 HB2 LYS 21 2HB LYS 21 -5.965 3.447 -7.498 162 HB3 LYS 21 3HB LYS 21 -6.857 2.924 -6.076 163 HG2 LYS 21 2HG LYS 21 -7.712 5.259 -5.799 164 HG3 LYS 21 3HG LYS 21 -6.856 5.710 -7.278 165 HD2 LYS 21 2HD LYS 21 -9.182 5.298 -7.831 166 HD3 LYS 21 3HD LYS 21 -8.198 4.015 -8.537 167 HE2 LYS 21 2HE LYS 21 -10.178 3.017 -7.578 168 HE3 LYS 21 3HE LYS 21 -8.805 2.560 -6.568 169 HZ1 LYS 21 3HZ LYS 21 -10.653 3.227 -5.205 170 HZ2 LYS 21 1HZ LYS 21 -10.769 4.709 -6.009 171 HZ3 LYS 21 2HZ LYS 21 -9.423 4.371 -5.050 172 H GLU 22 H GLU 22 -5.761 2.481 -3.844 173 HA GLU 22 HA GLU 22 -7.029 4.255 -1.985 174 HB2 GLU 22 2HB GLU 22 -6.279 1.314 -1.830 175 HB3 GLU 22 3HB GLU 22 -7.153 2.162 -0.558 176 HG2 GLU 22 2HG GLU 22 -8.088 1.779 -3.413 177 HG3 GLU 22 3HG GLU 22 -8.681 0.907 -1.999 178 H MET 23 H MET 23 -3.847 2.552 -2.004 179 HA MET 23 HA MET 23 -3.019 3.214 0.583 180 HB2 MET 23 2HB MET 23 -1.370 2.718 -1.926 181 HB3 MET 23 3HB MET 23 -0.683 2.818 -0.312 182 HG2 MET 23 2HG MET 23 -2.860 0.819 -0.743 183 HG3 MET 23 3HG MET 23 -1.292 0.492 -1.463 184 HE1 MET 23 3HE MET 23 -2.114 0.671 3.088 185 HE2 MET 23 1HE MET 23 -3.375 0.632 1.855 186 HE3 MET 23 2HE MET 23 -2.392 2.082 2.070 187 H ILE 24 H ILE 24 -2.556 4.966 -2.471 188 HA ILE 24 HA ILE 24 -1.039 7.146 -1.462 189 HB ILE 24 HB ILE 24 -2.796 6.944 -3.965 190 HG12 ILE 24 2HG1 ILE 24 0.235 6.663 -3.617 191 HG13 ILE 24 3HG1 ILE 24 -0.887 5.346 -3.943 192 HG21 ILE 24 1HG2 ILE 24 -2.498 9.312 -3.350 193 HG22 ILE 24 2HG2 ILE 24 -1.596 8.937 -4.817 194 HG23 ILE 24 3HG2 ILE 24 -0.749 9.088 -3.276 195 HD11 ILE 24 3HD1 ILE 24 -1.403 6.344 -6.116 196 HD12 ILE 24 1HD1 ILE 24 0.309 5.966 -5.933 197 HD13 ILE 24 2HD1 ILE 24 -0.242 7.633 -5.788 198 H ARG 25 H ARG 25 -4.500 6.652 -2.061 199 HA ARG 25 HA ARG 25 -5.633 9.063 -1.282 200 HB2 ARG 25 2HB ARG 25 -6.892 7.261 -2.339 201 HB3 ARG 25 3HB ARG 25 -6.613 6.200 -0.970 202 HG2 ARG 25 2HG ARG 25 -8.058 7.720 0.423 203 HG3 ARG 25 3HG ARG 25 -8.420 8.636 -1.046 204 HD2 ARG 25 2HD ARG 25 -9.333 6.564 -2.090 205 HD3 ARG 25 3HD ARG 25 -9.013 5.685 -0.591 206 HE ARG 25 HE ARG 25 -10.620 7.868 0.050 207 HH11 ARG 25 1HH1 ARG 25 -10.921 4.881 -1.828 208 HH12 ARG 25 2HH1 ARG 25 -12.639 4.782 -1.586 209 HH21 ARG 25 1HH2 ARG 25 -12.875 7.713 0.315 210 HH22 ARG 25 2HH2 ARG 25 -13.735 6.375 -0.381 211 H GLN 26 H GLN 26 -4.637 6.297 0.747 212 HA GLN 26 HA GLN 26 -5.536 7.348 3.240 213 HB2 GLN 26 2HB GLN 26 -3.240 5.376 2.876 214 HB3 GLN 26 3HB GLN 26 -4.206 5.624 4.323 215 HG2 GLN 26 2HG GLN 26 -4.991 4.259 1.758 216 HG3 GLN 26 3HG GLN 26 -4.900 3.570 3.366 217 HE21 GLN 26 1HE2 GLN 26 -7.089 3.551 1.418 218 HE22 GLN 26 2HE2 GLN 26 -8.457 4.208 2.238 219 H ALA 27 H ALA 27 -2.351 7.261 1.644 220 HA ALA 27 HA ALA 27 -0.853 8.554 3.638 221 HB1 ALA 27 3HB ALA 27 -0.322 8.441 0.656 222 HB2 ALA 27 1HB ALA 27 0.157 7.227 1.842 223 HB3 ALA 27 2HB ALA 27 0.865 8.842 1.902 224 H ARG 28 H ARG 28 -2.873 9.876 1.084 225 HA ARG 28 HA ARG 28 -1.946 12.589 1.346 226 HB2 ARG 28 2HB ARG 28 -4.467 11.510 0.009 227 HB3 ARG 28 3HB ARG 28 -3.953 13.194 -0.036 228 HG2 ARG 28 2HG ARG 28 -1.799 12.367 -1.174 229 HG3 ARG 28 3HG ARG 28 -2.606 10.810 -1.328 230 HD2 ARG 28 2HD ARG 28 -4.467 11.943 -2.570 231 HD3 ARG 28 3HD ARG 28 -3.539 13.444 -2.524 232 HE ARG 28 HE ARG 28 -2.857 10.993 -4.017 233 HH11 ARG 28 1HH1 ARG 28 -2.288 14.412 -3.482 234 HH12 ARG 28 2HH1 ARG 28 -1.295 14.595 -4.894 235 HH21 ARG 28 1HH2 ARG 28 -1.527 11.241 -5.876 236 HH22 ARG 28 2HH2 ARG 28 -0.867 12.807 -6.243 237 H LYS 29 H LYS 29 -4.780 10.747 2.547 238 HA LYS 29 HA LYS 29 -6.005 13.029 3.776 239 HB2 LYS 29 2HB LYS 29 -7.678 11.541 4.627 240 HB3 LYS 29 3HB LYS 29 -7.277 11.019 2.999 241 HG2 LYS 29 2HG LYS 29 -5.885 9.196 3.946 242 HG3 LYS 29 3HG LYS 29 -6.339 9.703 5.568 243 HD2 LYS 29 2HD LYS 29 -8.277 8.690 3.441 244 HD3 LYS 29 3HD LYS 29 -7.618 7.726 4.759 245 HE2 LYS 29 2HE LYS 29 -9.808 8.349 5.441 246 HE3 LYS 29 3HE LYS 29 -8.716 9.374 6.367 247 HZ1 LYS 29 3HZ LYS 29 -9.240 11.220 4.987 248 HZ2 LYS 29 1HZ LYS 29 -10.703 10.507 5.421 249 HZ3 LYS 29 2HZ LYS 29 -10.073 10.261 3.871 250 H PHE 30 H PHE 30 -3.674 10.664 4.898 251 HA PHE 30 HA PHE 30 -3.775 11.542 7.680 252 HB2 PHE 30 2HB PHE 30 -1.877 9.609 6.271 253 HB3 PHE 30 3HB PHE 30 -1.901 9.913 8.005 254 HD1 PHE 30 HD1 PHE 30 -4.760 9.879 8.690 255 HD2 PHE 30 HD2 PHE 30 -2.583 7.393 5.975 256 HE1 PHE 30 HE1 PHE 30 -6.394 8.064 9.030 257 HE2 PHE 30 HE2 PHE 30 -4.226 5.585 6.322 258 HZ PHE 30 HZ PHE 30 -6.129 5.920 7.847 259 H ALA 31 H ALA 31 -2.359 12.609 4.827 260 HA ALA 31 HA ALA 31 -1.005 14.284 4.239 261 HB1 ALA 31 3HB ALA 31 -2.144 15.597 5.977 262 HB2 ALA 31 1HB ALA 31 -0.453 16.074 5.819 263 HB3 ALA 31 2HB ALA 31 -0.964 15.062 7.174 264 H GLY 32 H GLY 32 0.430 12.587 3.657 265 HA2 GLY 32 2HA GLY 32 3.093 12.955 4.844 266 HA3 GLY 32 3HA GLY 32 2.462 11.313 4.701 267 H THR 33 H THR 33 4.543 11.245 3.375 268 HA THR 33 HA THR 33 4.230 12.177 0.594 269 HB THR 33 HB THR 33 6.712 11.229 2.136 270 HG1 THR 33 HG1 THR 33 5.503 13.589 2.110 271 HG21 THR 33 3HG2 THR 33 8.021 12.004 0.197 272 HG22 THR 33 1HG2 THR 33 6.536 12.395 -0.675 273 HG23 THR 33 2HG2 THR 33 6.918 10.715 -0.283 274 H VAL 34 H VAL 34 4.157 10.579 -1.036 275 HA VAL 34 HA VAL 34 4.339 7.738 -0.277 276 HB VAL 34 HB VAL 34 1.972 8.316 -0.061 277 HG11 VAL 34 1HG1 VAL 34 1.844 10.291 -1.502 278 HG12 VAL 34 2HG1 VAL 34 0.586 9.130 -1.926 279 HG13 VAL 34 3HG1 VAL 34 2.024 9.282 -2.939 280 HG21 VAL 34 3HG2 VAL 34 2.469 6.062 -0.902 281 HG22 VAL 34 1HG2 VAL 34 2.431 6.653 -2.567 282 HG23 VAL 34 2HG2 VAL 34 0.961 6.665 -1.590 283 H THR 35 H THR 35 5.451 6.622 -1.714 284 HA THR 35 HA THR 35 5.676 7.457 -4.543 285 HB THR 35 HB THR 35 8.087 6.563 -4.421 286 HG1 THR 35 HG1 THR 35 7.492 6.710 -1.638 287 HG21 THR 35 3HG2 THR 35 7.671 8.997 -4.570 288 HG22 THR 35 1HG2 THR 35 9.068 8.653 -3.546 289 HG23 THR 35 2HG2 THR 35 7.522 9.087 -2.813 290 H TYR 36 H TYR 36 6.345 5.553 -5.932 291 HA TYR 36 HA TYR 36 5.804 2.900 -4.870 292 HB2 TYR 36 2HB TYR 36 3.915 2.450 -6.393 293 HB3 TYR 36 3HB TYR 36 3.526 3.718 -5.248 294 HD1 TYR 36 HD2 TYR 36 3.387 6.110 -6.034 295 HD2 TYR 36 HD1 TYR 36 3.906 2.885 -8.801 296 HE1 TYR 36 HE2 TYR 36 2.691 7.577 -7.882 297 HE2 TYR 36 HE1 TYR 36 3.211 4.362 -10.639 298 HH TYR 36 HH TYR 36 2.954 7.736 -10.308 299 H THR 37 H THR 37 6.295 1.193 -6.351 300 HA THR 37 HA THR 37 7.559 1.966 -8.921 301 HB THR 37 HB THR 37 8.601 -0.182 -7.015 302 HG1 THR 37 HG1 THR 37 9.410 2.505 -7.506 303 HG21 THR 37 3HG2 THR 37 10.579 -0.234 -8.521 304 HG22 THR 37 1HG2 THR 37 9.774 0.910 -9.610 305 HG23 THR 37 2HG2 THR 37 9.112 -0.707 -9.372 306 H LEU 38 H LEU 38 5.728 1.356 -10.119 307 HA LEU 38 HA LEU 38 4.712 -1.372 -10.121 308 HB2 LEU 38 2HB LEU 38 4.373 0.968 -12.053 309 HB3 LEU 38 3HB LEU 38 3.593 -0.589 -12.287 310 HG LEU 38 HG LEU 38 3.117 1.190 -9.865 311 HD11 LEU 38 1HD1 LEU 38 2.322 2.320 -11.886 312 HD12 LEU 38 2HD1 LEU 38 0.975 1.791 -10.884 313 HD13 LEU 38 3HD1 LEU 38 1.389 0.889 -12.345 314 HD21 LEU 38 3HD2 LEU 38 1.179 -0.267 -9.461 315 HD22 LEU 38 1HD2 LEU 38 2.692 -1.174 -9.422 316 HD23 LEU 38 2HD2 LEU 38 1.635 -1.277 -10.837 317 H ASP 39 H ASP 39 5.967 -3.000 -10.913 318 HA ASP 39 HA ASP 39 7.317 -2.762 -13.476 319 HB2 ASP 39 2HB ASP 39 9.026 -1.922 -11.836 320 HB3 ASP 39 3HB ASP 39 8.927 -3.446 -10.962 321 H GLY 40 H GLY 40 6.456 -4.483 -14.436 322 HA2 GLY 40 2HA GLY 40 5.939 -6.629 -15.006 323 HA3 GLY 40 3HA GLY 40 6.913 -7.182 -13.653 324 H ASN 41 H ASN 41 5.918 -7.817 -11.801 325 HA ASN 41 HA ASN 41 2.988 -7.425 -11.495 326 HB2 ASN 41 2HB ASN 41 4.520 -10.010 -10.949 327 HB3 ASN 41 3HB ASN 41 2.830 -9.729 -10.523 328 HD21 ASN 41 1HD2 ASN 41 1.300 -9.419 -12.263 329 HD22 ASN 41 2HD2 ASN 41 1.620 -10.091 -13.820 330 H ASP 42 H ASP 42 5.741 -6.430 -10.305 331 HA ASP 42 HA ASP 42 4.914 -6.618 -7.469 332 HB2 ASP 42 2HB ASP 42 7.666 -6.333 -8.732 333 HB3 ASP 42 3HB ASP 42 7.383 -5.861 -7.060 334 H LEU 43 H LEU 43 4.318 -4.890 -6.518 335 HA LEU 43 HA LEU 43 4.978 -2.170 -7.466 336 HB2 LEU 43 2HB LEU 43 2.596 -2.446 -7.809 337 HB3 LEU 43 3HB LEU 43 2.405 -3.308 -6.290 338 HG LEU 43 HG LEU 43 2.883 -1.197 -5.042 339 HD11 LEU 43 1HD1 LEU 43 4.245 0.009 -6.638 340 HD12 LEU 43 2HD1 LEU 43 2.836 0.972 -6.204 341 HD13 LEU 43 3HD1 LEU 43 2.885 0.139 -7.755 342 HD21 LEU 43 3HD2 LEU 43 0.584 -1.885 -5.469 343 HD22 LEU 43 1HD2 LEU 43 0.583 -0.992 -6.993 344 HD23 LEU 43 2HD2 LEU 43 0.731 -0.129 -5.458 345 H GLU 44 H GLU 44 6.605 -1.568 -5.991 346 HA GLU 44 HA GLU 44 6.078 -2.125 -3.119 347 HB2 GLU 44 2HB GLU 44 8.242 -3.012 -4.002 348 HB3 GLU 44 3HB GLU 44 8.754 -1.364 -4.383 349 HG2 GLU 44 2HG GLU 44 8.702 -0.733 -2.039 350 HG3 GLU 44 3HG GLU 44 7.965 -2.270 -1.587 351 H ILE 45 H ILE 45 5.239 -0.566 -2.109 352 HA ILE 45 HA ILE 45 5.400 2.263 -2.937 353 HB ILE 45 HB ILE 45 3.587 0.872 -0.884 354 HG12 ILE 45 2HG1 ILE 45 2.900 1.762 -3.731 355 HG13 ILE 45 3HG1 ILE 45 3.250 0.101 -3.266 356 HG21 ILE 45 1HG2 ILE 45 3.366 3.683 -2.047 357 HG22 ILE 45 2HG2 ILE 45 3.847 3.280 -0.399 358 HG23 ILE 45 3HG2 ILE 45 2.208 2.928 -0.945 359 HD11 ILE 45 3HD1 ILE 45 0.890 0.460 -3.473 360 HD12 ILE 45 1HD1 ILE 45 0.947 1.765 -2.288 361 HD13 ILE 45 2HD1 ILE 45 1.305 0.106 -1.795 362 H ARG 46 H ARG 46 6.504 3.759 -1.667 363 HA ARG 46 HA ARG 46 7.413 2.974 1.062 364 HB2 ARG 46 2HB ARG 46 8.734 4.963 -0.849 365 HB3 ARG 46 3HB ARG 46 9.308 4.547 0.758 366 HG2 ARG 46 2HG ARG 46 9.145 2.595 -1.554 367 HG3 ARG 46 3HG ARG 46 10.590 3.502 -1.118 368 HD2 ARG 46 2HD ARG 46 9.174 1.495 0.664 369 HD3 ARG 46 3HD ARG 46 10.645 1.190 -0.264 370 HE ARG 46 HE ARG 46 10.897 3.441 1.505 371 HH11 ARG 46 1HH1 ARG 46 11.101 -0.079 1.453 372 HH12 ARG 46 2HH1 ARG 46 12.159 -0.146 2.823 373 HH21 ARG 46 1HH2 ARG 46 12.324 3.316 3.266 374 HH22 ARG 46 2HH2 ARG 46 12.854 1.769 3.848 375 H ILE 47 H ILE 47 6.094 3.954 2.480 376 HA ILE 47 HA ILE 47 5.135 6.717 1.984 377 HB ILE 47 HB ILE 47 3.912 4.673 3.913 378 HG12 ILE 47 2HG1 ILE 47 2.905 5.592 1.169 379 HG13 ILE 47 3HG1 ILE 47 3.579 4.007 1.524 380 HG21 ILE 47 1HG2 ILE 47 2.034 6.296 4.095 381 HG22 ILE 47 2HG2 ILE 47 2.898 7.420 3.042 382 HG23 ILE 47 3HG2 ILE 47 3.553 7.020 4.631 383 HD11 ILE 47 3HD1 ILE 47 1.678 3.550 3.013 384 HD12 ILE 47 1HD1 ILE 47 1.181 3.904 1.358 385 HD13 ILE 47 2HD1 ILE 47 1.001 5.131 2.610 386 H THR 48 H THR 48 5.874 8.271 3.233 387 HA THR 48 HA THR 48 6.975 7.794 5.932 388 HB THR 48 HB THR 48 8.226 9.717 3.890 389 HG1 THR 48 HG1 THR 48 8.633 6.991 4.257 390 HG21 THR 48 3HG2 THR 48 9.312 8.670 6.541 391 HG22 THR 48 1HG2 THR 48 8.719 10.305 6.245 392 HG23 THR 48 2HG2 THR 48 10.173 9.732 5.425 393 H GLY 49 H GLY 49 7.033 10.096 7.095 394 HA2 GLY 49 2HA GLY 49 6.188 12.257 7.408 395 HA3 GLY 49 3HA GLY 49 5.142 12.069 6.010 396 H VAL 50 H VAL 50 4.319 9.358 7.208 397 HA VAL 50 HA VAL 50 2.212 10.350 8.990 398 HB VAL 50 HB VAL 50 1.122 8.149 8.635 399 HG11 VAL 50 1HG1 VAL 50 1.969 9.480 6.025 400 HG12 VAL 50 2HG1 VAL 50 0.620 9.968 7.055 401 HG13 VAL 50 3HG1 VAL 50 0.576 8.411 6.230 402 HG21 VAL 50 3HG2 VAL 50 3.115 6.721 8.394 403 HG22 VAL 50 1HG2 VAL 50 3.497 7.477 6.844 404 HG23 VAL 50 2HG2 VAL 50 2.033 6.504 7.020 405 HA PRO 51 HA PRO 51 4.369 8.889 12.703 406 HB2 PRO 51 2HB PRO 51 1.583 8.490 13.800 407 HB3 PRO 51 3HB PRO 51 2.939 9.431 14.466 408 HG2 PRO 51 2HG PRO 51 0.866 10.644 13.338 409 HG3 PRO 51 3HG PRO 51 2.513 11.262 13.104 410 HD2 PRO 51 2HD PRO 51 0.798 9.683 11.198 411 HD3 PRO 51 3HD PRO 51 1.902 11.037 10.868 412 H GLU 52 H GLU 52 4.562 6.966 14.063 413 HA GLU 52 HA GLU 52 4.372 4.609 12.505 414 HB2 GLU 52 2HB GLU 52 6.206 5.109 14.108 415 HB3 GLU 52 3HB GLU 52 5.096 4.837 15.446 416 HG2 GLU 52 2HG GLU 52 4.915 2.502 14.941 417 HG3 GLU 52 3HG GLU 52 5.685 2.713 13.366 418 H GLN 53 H GLN 53 2.320 5.935 15.024 419 HA GLN 53 HA GLN 53 0.721 3.621 15.507 420 HB2 GLN 53 2HB GLN 53 -0.977 5.218 16.376 421 HB3 GLN 53 3HB GLN 53 0.631 5.547 17.015 422 HG2 GLN 53 2HG GLN 53 0.899 7.474 15.608 423 HG3 GLN 53 3HG GLN 53 -0.536 7.064 14.667 424 HE21 GLN 53 1HE2 GLN 53 -2.569 7.461 15.526 425 HE22 GLN 53 2HE2 GLN 53 -2.824 8.517 16.877 426 H VAL 54 H VAL 54 0.620 6.160 13.077 427 HA VAL 54 HA VAL 54 -1.889 5.393 11.892 428 HB VAL 54 HB VAL 54 0.299 7.298 10.939 429 HG11 VAL 54 1HG1 VAL 54 -1.363 8.216 9.355 430 HG12 VAL 54 2HG1 VAL 54 -2.505 6.948 9.811 431 HG13 VAL 54 3HG1 VAL 54 -0.995 6.528 9.000 432 HG21 VAL 54 3HG2 VAL 54 -2.369 7.869 12.275 433 HG22 VAL 54 1HG2 VAL 54 -1.241 9.088 11.672 434 HG23 VAL 54 2HG2 VAL 54 -0.776 8.038 13.011 435 H ARG 55 H ARG 55 1.538 4.694 11.288 436 HA ARG 55 HA ARG 55 1.372 3.432 8.772 437 HB2 ARG 55 2HB ARG 55 3.224 2.764 11.101 438 HB3 ARG 55 3HB ARG 55 3.451 2.218 9.442 439 HG2 ARG 55 2HG ARG 55 3.767 4.534 8.701 440 HG3 ARG 55 3HG ARG 55 3.474 5.110 10.342 441 HD2 ARG 55 2HD ARG 55 5.482 3.655 11.044 442 HD3 ARG 55 3HD ARG 55 5.830 3.507 9.315 443 HE ARG 55 HE ARG 55 5.527 6.232 9.912 444 HH11 ARG 55 1HH1 ARG 55 7.773 3.610 10.682 445 HH12 ARG 55 2HH1 ARG 55 9.121 4.677 10.893 446 HH21 ARG 55 1HH2 ARG 55 7.296 7.605 10.233 447 HH22 ARG 55 2HH2 ARG 55 8.852 6.948 10.639 448 H LYS 56 H LYS 56 0.736 2.249 12.035 449 HA LYS 56 HA LYS 56 0.301 -0.466 11.512 450 HB2 LYS 56 2HB LYS 56 -1.029 1.353 13.580 451 HB3 LYS 56 3HB LYS 56 -1.060 -0.411 13.626 452 HG2 LYS 56 2HG LYS 56 1.345 -0.508 13.917 453 HG3 LYS 56 3HG LYS 56 1.486 1.236 13.698 454 HD2 LYS 56 2HD LYS 56 0.165 1.574 15.792 455 HD3 LYS 56 3HD LYS 56 0.119 -0.178 16.023 456 HE2 LYS 56 2HE LYS 56 2.604 -0.200 16.128 457 HE3 LYS 56 3HE LYS 56 2.615 1.555 15.948 458 HZ1 LYS 56 3HZ LYS 56 1.489 1.776 18.034 459 HZ2 LYS 56 1HZ LYS 56 2.855 0.811 18.258 460 HZ3 LYS 56 2HZ LYS 56 1.321 0.105 18.190 461 H GLU 57 H GLU 57 -1.837 2.347 11.167 462 HA GLU 57 HA GLU 57 -4.186 0.854 10.459 463 HB2 GLU 57 2HB GLU 57 -3.641 3.805 9.902 464 HB3 GLU 57 3HB GLU 57 -5.213 3.011 9.954 465 HG2 GLU 57 2HG GLU 57 -3.344 3.592 12.256 466 HG3 GLU 57 3HG GLU 57 -4.971 4.217 12.000 467 H LEU 58 H LEU 58 -1.553 2.393 8.646 468 HA LEU 58 HA LEU 58 -2.494 1.945 6.014 469 HB2 LEU 58 2HB LEU 58 0.255 2.320 7.212 470 HB3 LEU 58 3HB LEU 58 0.156 1.707 5.576 471 HG LEU 58 HG LEU 58 0.532 4.080 5.465 472 HD11 LEU 58 1HD1 LEU 58 -1.356 4.859 4.107 473 HD12 LEU 58 2HD1 LEU 58 -2.354 3.532 4.703 474 HD13 LEU 58 3HD1 LEU 58 -0.929 3.193 3.720 475 HD21 LEU 58 3HD2 LEU 58 -0.265 4.781 7.667 476 HD22 LEU 58 1HD2 LEU 58 -1.940 4.515 7.174 477 HD23 LEU 58 2HD2 LEU 58 -0.977 5.779 6.402 478 H ALA 59 H ALA 59 -1.051 -0.208 8.387 479 HA ALA 59 HA ALA 59 -0.589 -2.434 6.678 480 HB1 ALA 59 3HB ALA 59 0.540 -2.178 8.846 481 HB2 ALA 59 1HB ALA 59 -0.327 -3.709 8.758 482 HB3 ALA 59 2HB ALA 59 -0.999 -2.369 9.689 483 H LYS 60 H LYS 60 -3.389 -1.480 8.732 484 HA LYS 60 HA LYS 60 -5.021 -3.751 8.265 485 HB2 LYS 60 2HB LYS 60 -5.712 -0.866 8.945 486 HB3 LYS 60 3HB LYS 60 -6.981 -2.036 8.632 487 HG2 LYS 60 2HG LYS 60 -6.710 -1.776 11.011 488 HG3 LYS 60 3HG LYS 60 -6.189 -3.398 10.553 489 HD2 LYS 60 2HD LYS 60 -3.867 -2.799 10.786 490 HD3 LYS 60 3HD LYS 60 -4.262 -1.089 10.965 491 HE2 LYS 60 2HE LYS 60 -5.058 -3.244 12.948 492 HE3 LYS 60 3HE LYS 60 -3.635 -2.216 13.106 493 HZ1 LYS 60 3HZ LYS 60 -5.080 -0.285 13.180 494 HZ2 LYS 60 1HZ LYS 60 -5.475 -1.383 14.398 495 HZ3 LYS 60 2HZ LYS 60 -6.443 -1.268 13.026 496 H GLU 61 H GLU 61 -4.621 -0.691 6.513 497 HA GLU 61 HA GLU 61 -6.554 -1.133 4.492 498 HB2 GLU 61 2HB GLU 61 -4.080 0.648 4.502 499 HB3 GLU 61 3HB GLU 61 -5.343 0.704 3.273 500 HG2 GLU 61 2HG GLU 61 -5.632 1.343 6.210 501 HG3 GLU 61 3HG GLU 61 -5.677 2.491 4.875 502 H ALA 62 H ALA 62 -3.075 -1.745 4.660 503 HA ALA 62 HA ALA 62 -2.532 -2.576 2.082 504 HB1 ALA 62 3HB ALA 62 -0.550 -3.630 3.036 505 HB2 ALA 62 1HB ALA 62 -1.277 -3.621 4.647 506 HB3 ALA 62 2HB ALA 62 -0.859 -2.104 3.853 507 H GLU 63 H GLU 63 -3.416 -4.586 4.878 508 HA GLU 63 HA GLU 63 -3.397 -7.074 3.514 509 HB2 GLU 63 2HB GLU 63 -4.583 -6.245 6.190 510 HB3 GLU 63 3HB GLU 63 -4.434 -7.917 5.650 511 HG2 GLU 63 2HG GLU 63 -1.996 -7.721 5.575 512 HG3 GLU 63 3HG GLU 63 -2.097 -6.010 5.994 513 H ARG 64 H ARG 64 -6.053 -4.793 4.267 514 HA ARG 64 HA ARG 64 -8.150 -6.575 3.458 515 HB2 ARG 64 2HB ARG 64 -9.681 -4.736 3.635 516 HB3 ARG 64 3HB ARG 64 -8.519 -4.566 4.944 517 HG2 ARG 64 2HG ARG 64 -7.339 -2.822 3.667 518 HG3 ARG 64 3HG ARG 64 -8.500 -2.997 2.353 519 HD2 ARG 64 2HD ARG 64 -9.135 -2.081 5.176 520 HD3 ARG 64 3HD ARG 64 -9.002 -1.040 3.757 521 HE ARG 64 HE ARG 64 -10.907 -2.748 2.967 522 HH11 ARG 64 1HH1 ARG 64 -10.608 -0.929 5.985 523 HH12 ARG 64 2HH1 ARG 64 -12.328 -0.828 6.216 524 HH21 ARG 64 1HH2 ARG 64 -13.132 -2.621 3.312 525 HH22 ARG 64 2HH2 ARG 64 -13.755 -1.787 4.704 526 H LEU 65 H LEU 65 -6.162 -4.212 1.733 527 HA LEU 65 HA LEU 65 -7.586 -4.344 -0.775 528 HB2 LEU 65 2HB LEU 65 -4.769 -3.384 -0.117 529 HB3 LEU 65 3HB LEU 65 -5.540 -3.190 -1.688 530 HG LEU 65 HG LEU 65 -6.591 -1.967 0.893 531 HD11 LEU 65 1HD1 LEU 65 -5.733 0.177 0.069 532 HD12 LEU 65 2HD1 LEU 65 -5.002 -0.631 -1.320 533 HD13 LEU 65 3HD1 LEU 65 -4.428 -0.983 0.313 534 HD21 LEU 65 3HD2 LEU 65 -8.376 -2.343 -0.726 535 HD22 LEU 65 1HD2 LEU 65 -7.446 -1.522 -1.987 536 HD23 LEU 65 2HD2 LEU 65 -8.038 -0.620 -0.589 537 H ALA 66 H ALA 66 -4.945 -6.046 0.729 538 HA ALA 66 HA ALA 66 -3.899 -7.453 -1.451 539 HB1 ALA 66 3HB ALA 66 -4.023 -8.329 1.449 540 HB2 ALA 66 1HB ALA 66 -2.789 -7.286 0.735 541 HB3 ALA 66 2HB ALA 66 -2.937 -8.962 0.207 542 H LYS 67 H LYS 67 -6.333 -8.465 0.934 543 HA LYS 67 HA LYS 67 -6.927 -10.962 -0.350 544 HB2 LYS 67 2HB LYS 67 -8.676 -11.190 1.367 545 HB3 LYS 67 3HB LYS 67 -7.166 -10.656 2.091 546 HG2 LYS 67 2HG LYS 67 -8.051 -8.323 2.126 547 HG3 LYS 67 3HG LYS 67 -9.583 -8.920 1.501 548 HD2 LYS 67 2HD LYS 67 -8.369 -9.807 4.151 549 HD3 LYS 67 3HD LYS 67 -9.529 -8.492 3.991 550 HE2 LYS 67 2HE LYS 67 -10.722 -10.436 4.712 551 HE3 LYS 67 3HE LYS 67 -11.172 -10.144 3.037 552 HZ1 LYS 67 3HZ LYS 67 -9.130 -12.131 3.887 553 HZ2 LYS 67 1HZ LYS 67 -9.791 -11.944 2.342 554 HZ3 LYS 67 2HZ LYS 67 -10.753 -12.506 3.611 555 H GLU 68 H GLU 68 -8.135 -7.709 -0.625 556 HA GLU 68 HA GLU 68 -10.670 -8.142 -1.808 557 HB2 GLU 68 2HB GLU 68 -9.951 -5.965 -0.857 558 HB3 GLU 68 3HB GLU 68 -8.746 -5.792 -2.124 559 HG2 GLU 68 2HG GLU 68 -10.662 -4.374 -2.587 560 HG3 GLU 68 3HG GLU 68 -10.542 -5.634 -3.812 561 H PHE 69 H PHE 69 -7.488 -7.441 -3.252 562 HA PHE 69 HA PHE 69 -8.513 -7.945 -5.971 563 HB2 PHE 69 2HB PHE 69 -5.890 -6.679 -5.047 564 HB3 PHE 69 3HB PHE 69 -6.460 -6.776 -6.705 565 HD1 PHE 69 HD1 PHE 69 -8.894 -5.712 -7.125 566 HD2 PHE 69 HD2 PHE 69 -6.304 -4.677 -3.880 567 HE1 PHE 69 HE1 PHE 69 -10.097 -3.586 -6.825 568 HE2 PHE 69 HE2 PHE 69 -7.511 -2.552 -3.598 569 HZ PHE 69 HZ PHE 69 -9.406 -2.008 -5.067 570 H ASN 70 H ASN 70 -7.402 -9.875 -3.677 571 HA ASN 70 HA ASN 70 -6.551 -11.966 -3.561 572 HB2 ASN 70 2HB ASN 70 -7.850 -12.396 -5.632 573 HB3 ASN 70 3HB ASN 70 -6.498 -11.839 -6.614 574 HD21 ASN 70 1HD2 ASN 70 -4.739 -13.236 -6.939 575 HD22 ASN 70 2HD2 ASN 70 -4.808 -14.917 -6.546 576 H ILE 71 H ILE 71 -4.819 -9.405 -4.070 577 HA ILE 71 HA ILE 71 -2.314 -10.479 -5.126 578 HB ILE 71 HB ILE 71 -1.468 -8.135 -4.905 579 HG12 ILE 71 2HG1 ILE 71 -4.270 -7.538 -3.841 580 HG13 ILE 71 3HG1 ILE 71 -2.750 -7.314 -2.984 581 HG21 ILE 71 1HG2 ILE 71 -4.130 -8.299 -6.378 582 HG22 ILE 71 2HG2 ILE 71 -2.581 -8.871 -6.997 583 HG23 ILE 71 3HG2 ILE 71 -2.825 -7.152 -6.702 584 HD11 ILE 71 3HD1 ILE 71 -3.618 -5.193 -3.693 585 HD12 ILE 71 1HD1 ILE 71 -3.730 -5.744 -5.364 586 HD13 ILE 71 2HD1 ILE 71 -2.149 -5.542 -4.605 587 H THR 72 H THR 72 -0.389 -10.540 -3.897 588 HA THR 72 HA THR 72 -0.709 -11.140 -1.063 589 HB THR 72 HB THR 72 1.828 -11.672 -1.320 590 HG1 THR 72 HG1 THR 72 2.220 -12.042 -3.712 591 HG21 THR 72 3HG2 THR 72 -0.118 -13.178 -3.118 592 HG22 THR 72 1HG2 THR 72 0.113 -13.466 -1.389 593 HG23 THR 72 2HG2 THR 72 1.426 -13.791 -2.523 594 H VAL 73 H VAL 73 0.271 -9.940 0.628 595 HA VAL 73 HA VAL 73 1.576 -7.381 -0.098 596 HB VAL 73 HB VAL 73 -0.779 -6.990 0.725 597 HG11 VAL 73 1HG1 VAL 73 -1.339 -7.261 3.104 598 HG12 VAL 73 2HG1 VAL 73 0.208 -8.066 3.388 599 HG13 VAL 73 3HG1 VAL 73 -0.996 -8.819 2.344 600 HG21 VAL 73 3HG2 VAL 73 0.906 -5.220 0.942 601 HG22 VAL 73 1HG2 VAL 73 1.413 -5.858 2.511 602 HG23 VAL 73 2HG2 VAL 73 -0.205 -5.186 2.308 603 H THR 74 H THR 74 3.309 -6.821 1.085 604 HA THR 74 HA THR 74 3.900 -8.109 3.647 605 HB THR 74 HB THR 74 5.229 -9.390 2.021 606 HG1 THR 74 HG1 THR 74 7.377 -8.048 2.921 607 HG21 THR 74 3HG2 THR 74 6.971 -8.360 0.620 608 HG22 THR 74 1HG2 THR 74 6.459 -6.753 1.144 609 HG23 THR 74 2HG2 THR 74 5.373 -7.755 0.179 610 H TYR 75 H TYR 75 4.748 -6.632 5.090 611 HA TYR 75 HA TYR 75 5.587 -3.989 4.166 612 HB2 TYR 75 2HB TYR 75 4.020 -2.825 5.744 613 HB3 TYR 75 3HB TYR 75 3.199 -3.619 4.411 614 HD1 TYR 75 HD1 TYR 75 3.796 -3.715 8.082 615 HD2 TYR 75 HD2 TYR 75 1.658 -5.480 4.821 616 HE1 TYR 75 HE1 TYR 75 2.309 -4.855 9.671 617 HE2 TYR 75 HE2 TYR 75 0.179 -6.619 6.420 618 HH TYR 75 HH TYR 75 -0.024 -5.789 9.656 619 H THR 76 H THR 76 6.820 -2.828 5.699 620 HA THR 76 HA THR 76 7.704 -4.420 8.047 621 HB THR 76 HB THR 76 9.445 -2.500 6.431 622 HG1 THR 76 HG1 THR 76 8.769 -4.500 5.346 623 HG21 THR 76 3HG2 THR 76 10.168 -4.521 8.602 624 HG22 THR 76 1HG2 THR 76 10.187 -2.767 8.784 625 HG23 THR 76 2HG2 THR 76 11.315 -3.550 7.677 626 H ILE 77 H ILE 77 7.233 -3.526 9.883 627 HA ILE 77 HA ILE 77 7.479 -0.650 10.383 628 HB ILE 77 HB ILE 77 5.416 -0.801 11.950 629 HG12 ILE 77 2HG1 ILE 77 4.781 -3.213 10.176 630 HG13 ILE 77 3HG1 ILE 77 5.055 -3.239 11.915 631 HG21 ILE 77 1HG2 ILE 77 5.414 0.571 9.919 632 HG22 ILE 77 2HG2 ILE 77 3.827 -0.142 10.203 633 HG23 ILE 77 3HG2 ILE 77 4.888 -0.817 8.963 634 HD11 ILE 77 3HD1 ILE 77 3.010 -1.914 12.243 635 HD12 ILE 77 1HD1 ILE 77 2.701 -3.439 11.411 636 HD13 ILE 77 2HD1 ILE 77 2.733 -1.931 10.498 637 H ARG 78 H ARG 78 8.120 -0.212 12.529 638 HA ARG 78 HA ARG 78 8.963 -2.557 14.149 639 HB2 ARG 78 2HB ARG 78 10.471 0.061 13.664 640 HB3 ARG 78 3HB ARG 78 10.971 -1.199 14.791 641 HG2 ARG 78 2HG ARG 78 11.236 -2.776 12.890 642 HG3 ARG 78 3HG ARG 78 10.765 -1.496 11.771 643 HD2 ARG 78 2HD ARG 78 12.748 -0.202 12.343 644 HD3 ARG 78 3HD ARG 78 13.176 -1.358 13.611 645 HE ARG 78 HE ARG 78 13.003 -2.720 11.147 646 HH11 ARG 78 1HH1 ARG 78 15.110 -0.395 12.750 647 HH12 ARG 78 2HH1 ARG 78 16.525 -0.901 11.884 648 HH21 ARG 78 1HH2 ARG 78 14.868 -3.409 10.062 649 HH22 ARG 78 2HH2 ARG 78 16.384 -2.613 10.350 650 H GLY 79 H GLY 79 9.822 -1.227 16.403 651 HA2 GLY 79 2HA GLY 79 8.698 0.902 17.523 652 HA3 GLY 79 3HA GLY 79 7.319 -0.195 17.530 653 H SER 80 H SER 80 7.796 -2.405 18.433 654 HA SER 80 HA SER 80 9.530 -2.230 20.836 655 HB2 SER 80 2HB SER 80 7.011 -2.472 21.211 656 HB3 SER 80 3HB SER 80 7.113 -4.071 20.466 657 HG SER 80 HG SER 80 8.134 -3.146 22.904 658 H LEU 81 H LEU 81 11.260 -2.751 19.403 659 HA LEU 81 HA LEU 81 11.425 -5.213 17.947 660 HB2 LEU 81 2HB LEU 81 13.538 -3.183 18.776 661 HB3 LEU 81 3HB LEU 81 13.869 -4.557 17.728 662 HG LEU 81 HG LEU 81 11.915 -2.307 17.079 663 HD11 LEU 81 1HD1 LEU 81 13.546 -1.599 15.382 664 HD12 LEU 81 2HD1 LEU 81 14.682 -2.833 15.937 665 HD13 LEU 81 3HD1 LEU 81 14.224 -1.505 17.006 666 HD21 LEU 81 3HD2 LEU 81 11.827 -3.320 14.817 667 HD22 LEU 81 1HD2 LEU 81 11.189 -4.398 16.055 668 HD23 LEU 81 2HD2 LEU 81 12.799 -4.676 15.388 669 H GLU 82 H GLU 82 12.395 -4.168 21.130 670 HA GLU 82 HA GLU 82 13.096 -6.932 21.920 671 HB2 GLU 82 2HB GLU 82 14.509 -5.661 23.760 672 HB3 GLU 82 3HB GLU 82 15.176 -5.887 22.151 673 HG2 GLU 82 2HG GLU 82 15.600 -3.627 23.093 674 HG3 GLU 82 3HG GLU 82 14.768 -3.607 21.547 675 H HIS 83 H HIS 83 12.969 -6.923 24.541 676 HA HIS 83 HA HIS 83 10.541 -5.442 25.389 677 HB2 HIS 83 2HB HIS 83 10.045 -7.882 25.144 678 HB3 HIS 83 3HB HIS 83 11.333 -8.258 26.286 679 HD1 HIS 83 HD1 HIS 83 10.414 -8.735 28.556 680 HD2 HIS 83 HD2 HIS 83 8.032 -5.999 26.526 681 HE1 HIS 83 HE1 HIS 83 8.493 -8.238 30.089 682 HE2 HIS 83 HE2 HIS 83 6.984 -6.739 28.761 683 H HIS 84 H HIS 84 11.797 -3.762 26.180 684 HA HIS 84 HA HIS 84 13.888 -4.029 28.110 685 HB2 HIS 84 2HB HIS 84 13.528 -1.969 26.740 686 HB3 HIS 84 3HB HIS 84 12.002 -1.680 27.570 687 HD1 HIS 84 HD1 HIS 84 12.141 -0.829 30.048 688 HD2 HIS 84 HD2 HIS 84 15.820 -1.159 28.130 689 HE1 HIS 84 HE1 HIS 84 13.787 0.348 31.539 690 HE2 HIS 84 HE2 HIS 84 16.000 0.107 30.379 691 H HIS 85 H HIS 85 13.674 -4.582 30.216 692 HA HIS 85 HA HIS 85 11.146 -5.019 31.493 693 HB2 HIS 85 2HB HIS 85 13.946 -4.980 32.704 694 HB3 HIS 85 3HB HIS 85 12.499 -5.558 33.525 695 HD1 HIS 85 HD1 HIS 85 11.688 -7.914 32.958 696 HD2 HIS 85 HD2 HIS 85 14.953 -6.722 30.676 697 HE1 HIS 85 HE1 HIS 85 12.531 -9.992 31.842 698 HE2 HIS 85 HE2 HIS 85 14.490 -9.250 30.460 699 H HIS 86 H HIS 86 10.004 -3.094 31.608 700 HA HIS 86 HA HIS 86 11.042 -0.877 33.224 701 HB2 HIS 86 2HB HIS 86 8.764 0.167 32.872 702 HB3 HIS 86 3HB HIS 86 9.696 -0.106 31.413 703 HD1 HIS 86 HD1 HIS 86 6.422 -0.665 32.851 704 HD2 HIS 86 HD2 HIS 86 8.718 -2.389 29.846 705 HE1 HIS 86 HE1 HIS 86 4.799 -1.902 31.389 706 HE2 HIS 86 HE2 HIS 86 6.229 -3.039 29.669 707 H HIS 87 H HIS 87 9.572 -3.847 33.768 708 HA HIS 87 HA HIS 87 10.195 -3.460 36.509 709 HB2 HIS 87 2HB HIS 87 8.129 -4.098 37.580 710 HB3 HIS 87 3HB HIS 87 7.750 -2.755 36.512 711 HD1 HIS 87 HD1 HIS 87 6.896 -6.273 37.228 712 HD2 HIS 87 HD2 HIS 87 6.186 -3.520 34.184 713 HE1 HIS 87 HE1 HIS 87 4.915 -7.156 35.959 714 HE2 HIS 87 HE2 HIS 87 4.436 -5.429 34.209 715 H HIS 88 H HIS 88 10.514 -5.495 37.585 716 HA HIS 88 HA HIS 88 11.070 -7.739 35.875 717 HB2 HIS 88 2HB HIS 88 12.434 -7.294 37.894 718 HB3 HIS 88 3HB HIS 88 11.035 -7.556 38.927 719 HD1 HIS 88 HD1 HIS 88 13.407 -9.466 36.652 720 HD2 HIS 88 HD2 HIS 88 10.554 -10.215 39.584 721 HE1 HIS 88 HE1 HIS 88 13.595 -11.923 37.168 722 HE2 HIS 88 HE2 HIS 88 11.844 -12.352 38.917 Start of MODEL 12 1 H1 MET 1 1H MET 1 13.420 7.527 12.862 2 H2 MET 1 2H MET 1 13.631 9.003 12.069 3 H3 MET 1 3H MET 1 13.403 7.593 11.175 4 HA MET 1 HA MET 1 11.424 8.830 12.992 5 HB2 MET 1 2HB MET 1 11.720 10.163 10.939 6 HB3 MET 1 3HB MET 1 11.536 8.725 9.942 7 HG2 MET 1 2HG MET 1 9.499 10.120 9.929 8 HG3 MET 1 3HG MET 1 9.185 8.526 10.619 9 HE1 MET 1 3HE MET 1 6.783 10.850 12.709 10 HE2 MET 1 1HE MET 1 6.882 9.417 11.688 11 HE3 MET 1 2HE MET 1 7.173 11.015 10.996 12 H GLY 2 H GLY 2 12.250 6.250 10.738 13 HA2 GLY 2 2HA GLY 2 11.478 4.095 10.549 14 HA3 GLY 2 3HA GLY 2 10.337 4.389 11.857 15 H GLU 3 H GLU 3 10.966 4.932 8.441 16 HA GLU 3 HA GLU 3 8.193 5.535 7.827 17 HB2 GLU 3 2HB GLU 3 8.899 5.533 5.457 18 HB3 GLU 3 3HB GLU 3 9.880 6.606 6.435 19 HG2 GLU 3 2HG GLU 3 10.828 3.821 5.724 20 HG3 GLU 3 3HG GLU 3 11.044 5.177 4.626 21 H MET 4 H MET 4 7.233 4.161 5.932 22 HA MET 4 HA MET 4 7.397 1.304 6.727 23 HB2 MET 4 2HB MET 4 5.376 2.448 7.622 24 HB3 MET 4 3HB MET 4 4.905 2.909 5.990 25 HG2 MET 4 2HG MET 4 4.567 0.588 5.385 26 HG3 MET 4 3HG MET 4 5.200 0.054 6.949 27 HE1 MET 4 3HE MET 4 1.513 -0.830 7.608 28 HE2 MET 4 1HE MET 4 3.194 -1.335 7.770 29 HE3 MET 4 2HE MET 4 2.475 -1.152 6.167 30 H ASP 5 H ASP 5 7.626 -0.174 5.031 31 HA ASP 5 HA ASP 5 7.265 0.809 2.269 32 HB2 ASP 5 2HB ASP 5 9.610 0.124 2.770 33 HB3 ASP 5 3HB ASP 5 9.048 -1.449 3.323 34 H ILE 6 H ILE 6 5.506 -0.045 1.357 35 HA ILE 6 HA ILE 6 4.360 -2.608 2.329 36 HB ILE 6 HB ILE 6 2.877 -0.149 1.255 37 HG12 ILE 6 2HG1 ILE 6 2.913 -1.218 4.116 38 HG13 ILE 6 3HG1 ILE 6 3.854 0.160 3.558 39 HG21 ILE 6 1HG2 ILE 6 1.724 -2.240 0.672 40 HG22 ILE 6 2HG2 ILE 6 0.805 -1.342 1.879 41 HG23 ILE 6 3HG2 ILE 6 1.752 -2.750 2.363 42 HD11 ILE 6 3HD1 ILE 6 1.760 1.320 2.994 43 HD12 ILE 6 1HD1 ILE 6 1.922 0.926 4.705 44 HD13 ILE 6 2HD1 ILE 6 0.861 -0.038 3.681 45 H ARG 7 H ARG 7 4.915 -4.015 0.747 46 HA ARG 7 HA ARG 7 4.770 -3.176 -2.085 47 HB2 ARG 7 2HB ARG 7 7.022 -3.907 -1.181 48 HB3 ARG 7 3HB ARG 7 6.351 -5.513 -0.916 49 HG2 ARG 7 2HG ARG 7 5.999 -5.819 -3.310 50 HG3 ARG 7 3HG ARG 7 6.467 -4.149 -3.628 51 HD2 ARG 7 2HD ARG 7 8.750 -4.783 -2.594 52 HD3 ARG 7 3HD ARG 7 8.217 -6.458 -2.773 53 HE ARG 7 HE ARG 7 7.849 -5.694 -5.253 54 HH11 ARG 7 1HH1 ARG 7 10.515 -4.739 -3.172 55 HH12 ARG 7 2HH1 ARG 7 11.628 -4.531 -4.486 56 HH21 ARG 7 1HH2 ARG 7 9.327 -5.424 -6.985 57 HH22 ARG 7 2HH2 ARG 7 10.954 -4.920 -6.653 58 H PHE 8 H PHE 8 3.283 -4.082 -3.301 59 HA PHE 8 HA PHE 8 1.694 -6.399 -2.384 60 HB2 PHE 8 2HB PHE 8 1.111 -4.223 -4.458 61 HB3 PHE 8 3HB PHE 8 0.106 -5.651 -4.251 62 HD1 PHE 8 HD1 PHE 8 1.181 -2.469 -2.651 63 HD2 PHE 8 HD2 PHE 8 -1.480 -5.818 -2.427 64 HE1 PHE 8 HE1 PHE 8 -0.155 -1.309 -0.944 65 HE2 PHE 8 HE2 PHE 8 -2.808 -4.643 -0.720 66 HZ PHE 8 HZ PHE 8 -2.145 -2.390 0.024 67 H ARG 9 H ARG 9 1.193 -8.007 -4.080 68 HA ARG 9 HA ARG 9 2.882 -8.125 -6.456 69 HB2 ARG 9 2HB ARG 9 4.279 -9.022 -4.476 70 HB3 ARG 9 3HB ARG 9 3.126 -10.340 -4.361 71 HG2 ARG 9 2HG ARG 9 3.711 -11.139 -6.578 72 HG3 ARG 9 3HG ARG 9 4.731 -9.735 -6.867 73 HD2 ARG 9 2HD ARG 9 6.174 -10.519 -4.922 74 HD3 ARG 9 3HD ARG 9 5.226 -12.014 -4.930 75 HE ARG 9 HE ARG 9 6.222 -11.466 -7.529 76 HH11 ARG 9 1HH1 ARG 9 7.330 -12.643 -4.396 77 HH12 ARG 9 2HH1 ARG 9 8.648 -13.545 -5.072 78 HH21 ARG 9 1HH2 ARG 9 7.997 -12.587 -8.387 79 HH22 ARG 9 2HH2 ARG 9 9.029 -13.511 -7.339 80 H GLY 10 H GLY 10 2.100 -9.674 -7.977 81 HA2 GLY 10 2HA GLY 10 0.158 -11.653 -7.466 82 HA3 GLY 10 3HA GLY 10 -0.668 -10.167 -7.942 83 H ASP 11 H ASP 11 -1.419 -11.166 -9.833 84 HA ASP 11 HA ASP 11 0.577 -11.674 -11.969 85 HB2 ASP 11 2HB ASP 11 -0.935 -13.581 -11.452 86 HB3 ASP 11 3HB ASP 11 -2.338 -12.562 -11.746 87 H ASP 12 H ASP 12 -2.209 -9.791 -10.980 88 HA ASP 12 HA ASP 12 -2.567 -8.632 -13.678 89 HB2 ASP 12 2HB ASP 12 -4.539 -9.780 -12.695 90 HB3 ASP 12 3HB ASP 12 -4.470 -8.725 -11.288 91 H LEU 13 H LEU 13 -1.594 -6.737 -13.932 92 HA LEU 13 HA LEU 13 -0.523 -5.136 -11.895 93 HB2 LEU 13 2HB LEU 13 0.405 -5.132 -14.149 94 HB3 LEU 13 3HB LEU 13 -1.069 -4.449 -14.802 95 HG LEU 13 HG LEU 13 -0.628 -2.335 -13.489 96 HD11 LEU 13 1HD1 LEU 13 1.594 -1.939 -12.507 97 HD12 LEU 13 2HD1 LEU 13 2.015 -3.635 -12.767 98 HD13 LEU 13 3HD1 LEU 13 0.706 -3.206 -11.660 99 HD21 LEU 13 3HD2 LEU 13 0.046 -2.484 -15.839 100 HD22 LEU 13 1HD2 LEU 13 1.625 -3.114 -15.360 101 HD23 LEU 13 2HD2 LEU 13 1.152 -1.470 -14.915 102 H GLU 14 H GLU 14 -3.733 -5.136 -13.289 103 HA GLU 14 HA GLU 14 -4.382 -2.432 -12.513 104 HB2 GLU 14 2HB GLU 14 -6.142 -4.752 -13.377 105 HB3 GLU 14 3HB GLU 14 -6.786 -3.173 -12.938 106 HG2 GLU 14 2HG GLU 14 -4.849 -3.731 -15.199 107 HG3 GLU 14 3HG GLU 14 -6.574 -3.424 -15.370 108 H ALA 15 H ALA 15 -4.707 -5.637 -11.029 109 HA ALA 15 HA ALA 15 -6.296 -4.938 -8.814 110 HB1 ALA 15 3HB ALA 15 -4.097 -7.030 -9.041 111 HB2 ALA 15 1HB ALA 15 -5.784 -7.252 -9.508 112 HB3 ALA 15 2HB ALA 15 -5.368 -6.994 -7.813 113 H LEU 16 H LEU 16 -2.823 -4.801 -9.403 114 HA LEU 16 HA LEU 16 -1.981 -3.836 -6.858 115 HB2 LEU 16 2HB LEU 16 -0.594 -3.494 -9.544 116 HB3 LEU 16 3HB LEU 16 0.161 -3.436 -7.958 117 HG LEU 16 HG LEU 16 -1.109 -5.946 -9.129 118 HD11 LEU 16 1HD1 LEU 16 1.816 -5.153 -9.103 119 HD12 LEU 16 2HD1 LEU 16 0.770 -5.237 -10.522 120 HD13 LEU 16 3HD1 LEU 16 1.165 -6.706 -9.635 121 HD21 LEU 16 3HD2 LEU 16 -1.003 -5.973 -6.686 122 HD22 LEU 16 1HD2 LEU 16 0.719 -5.580 -6.731 123 HD23 LEU 16 2HD2 LEU 16 0.143 -7.124 -7.364 124 H GLU 17 H GLU 17 -3.035 -2.305 -9.874 125 HA GLU 17 HA GLU 17 -2.120 0.333 -9.376 126 HB2 GLU 17 2HB GLU 17 -2.654 -0.918 -11.579 127 HB3 GLU 17 3HB GLU 17 -4.340 -0.544 -11.278 128 HG2 GLU 17 2HG GLU 17 -2.231 1.603 -11.449 129 HG3 GLU 17 3HG GLU 17 -2.984 0.935 -12.884 130 H LYS 18 H LYS 18 -5.208 -1.343 -8.822 131 HA LYS 18 HA LYS 18 -6.562 1.066 -7.909 132 HB2 LYS 18 2HB LYS 18 -7.438 -1.835 -8.139 133 HB3 LYS 18 3HB LYS 18 -8.410 -0.670 -7.256 134 HG2 LYS 18 2HG LYS 18 -9.354 -0.863 -9.451 135 HG3 LYS 18 3HG LYS 18 -8.558 0.712 -9.376 136 HD2 LYS 18 2HD LYS 18 -6.598 -0.259 -10.570 137 HD3 LYS 18 3HD LYS 18 -7.442 -1.805 -10.657 138 HE2 LYS 18 2HE LYS 18 -7.646 -0.703 -12.780 139 HE3 LYS 18 3HE LYS 18 -9.229 -0.687 -12.001 140 HZ1 LYS 18 3HZ LYS 18 -7.308 1.579 -12.124 141 HZ2 LYS 18 1HZ LYS 18 -8.785 1.615 -11.308 142 HZ3 LYS 18 2HZ LYS 18 -8.753 1.443 -12.986 143 H ALA 19 H ALA 19 -4.926 -1.764 -6.445 144 HA ALA 19 HA ALA 19 -5.435 -1.130 -3.727 145 HB1 ALA 19 3HB ALA 19 -3.408 -2.455 -3.229 146 HB2 ALA 19 1HB ALA 19 -2.969 -2.437 -4.944 147 HB3 ALA 19 2HB ALA 19 -4.427 -3.275 -4.413 148 H LEU 20 H LEU 20 -2.869 -0.149 -5.963 149 HA LEU 20 HA LEU 20 -1.303 1.545 -4.452 150 HB2 LEU 20 2HB LEU 20 -0.783 0.836 -6.761 151 HB3 LEU 20 3HB LEU 20 -2.098 1.813 -7.379 152 HG LEU 20 HG LEU 20 -0.919 3.876 -6.737 153 HD11 LEU 20 1HD1 LEU 20 1.356 3.865 -5.858 154 HD12 LEU 20 2HD1 LEU 20 1.317 2.107 -5.710 155 HD13 LEU 20 3HD1 LEU 20 0.239 3.104 -4.729 156 HD21 LEU 20 3HD2 LEU 20 -0.497 2.920 -8.955 157 HD22 LEU 20 1HD2 LEU 20 0.867 1.998 -8.315 158 HD23 LEU 20 2HD2 LEU 20 0.921 3.765 -8.342 159 H LYS 21 H LYS 21 -4.120 2.364 -6.446 160 HA LYS 21 HA LYS 21 -4.433 5.056 -6.036 161 HB2 LYS 21 2HB LYS 21 -5.801 3.692 -7.569 162 HB3 LYS 21 3HB LYS 21 -6.564 2.896 -6.203 163 HG2 LYS 21 2HG LYS 21 -7.320 5.362 -5.560 164 HG3 LYS 21 3HG LYS 21 -6.989 5.690 -7.262 165 HD2 LYS 21 2HD LYS 21 -9.382 5.138 -6.875 166 HD3 LYS 21 3HD LYS 21 -8.608 3.952 -7.935 167 HE2 LYS 21 2HE LYS 21 -8.395 2.374 -6.085 168 HE3 LYS 21 3HE LYS 21 -9.008 3.570 -4.943 169 HZ1 LYS 21 3HZ LYS 21 -11.130 3.497 -6.023 170 HZ2 LYS 21 1HZ LYS 21 -10.677 1.936 -5.586 171 HZ3 LYS 21 2HZ LYS 21 -10.562 2.429 -7.195 172 H GLU 22 H GLU 22 -5.630 2.392 -4.016 173 HA GLU 22 HA GLU 22 -6.972 4.010 -2.105 174 HB2 GLU 22 2HB GLU 22 -6.056 1.121 -2.054 175 HB3 GLU 22 3HB GLU 22 -6.995 1.851 -0.758 176 HG2 GLU 22 2HG GLU 22 -7.935 1.702 -3.635 177 HG3 GLU 22 3HG GLU 22 -8.313 0.493 -2.413 178 H MET 23 H MET 23 -3.687 2.481 -2.098 179 HA MET 23 HA MET 23 -3.113 3.219 0.606 180 HB2 MET 23 2HB MET 23 -1.183 2.462 -1.622 181 HB3 MET 23 3HB MET 23 -0.773 2.560 0.089 182 HG2 MET 23 2HG MET 23 -2.702 0.624 -1.198 183 HG3 MET 23 3HG MET 23 -1.115 0.248 -0.538 184 HE1 MET 23 3HE MET 23 -1.716 0.540 3.301 185 HE2 MET 23 1HE MET 23 -1.053 1.784 2.243 186 HE3 MET 23 2HE MET 23 -0.584 0.098 2.021 187 H ILE 24 H ILE 24 -2.497 4.802 -2.501 188 HA ILE 24 HA ILE 24 -0.968 7.000 -1.525 189 HB ILE 24 HB ILE 24 -2.771 6.793 -3.998 190 HG12 ILE 24 2HG1 ILE 24 0.273 6.624 -3.731 191 HG13 ILE 24 3HG1 ILE 24 -0.806 5.285 -4.102 192 HG21 ILE 24 1HG2 ILE 24 -1.667 8.841 -4.843 193 HG22 ILE 24 2HG2 ILE 24 -0.804 9.005 -3.314 194 HG23 ILE 24 3HG2 ILE 24 -2.560 9.157 -3.351 195 HD11 ILE 24 3HD1 ILE 24 0.327 6.026 -6.095 196 HD12 ILE 24 1HD1 ILE 24 -0.257 7.675 -5.864 197 HD13 ILE 24 2HD1 ILE 24 -1.395 6.377 -6.234 198 H ARG 25 H ARG 25 -4.428 6.467 -2.105 199 HA ARG 25 HA ARG 25 -5.569 8.873 -1.317 200 HB2 ARG 25 2HB ARG 25 -6.842 7.119 -2.408 201 HB3 ARG 25 3HB ARG 25 -6.548 6.004 -1.085 202 HG2 ARG 25 2HG ARG 25 -7.981 7.450 0.381 203 HG3 ARG 25 3HG ARG 25 -8.341 8.451 -1.029 204 HD2 ARG 25 2HD ARG 25 -9.274 6.432 -2.176 205 HD3 ARG 25 3HD ARG 25 -8.981 5.496 -0.705 206 HE ARG 25 HE ARG 25 -10.591 7.804 -0.193 207 HH11 ARG 25 1HH1 ARG 25 -10.778 4.527 -1.505 208 HH12 ARG 25 2HH1 ARG 25 -12.468 4.354 -1.142 209 HH21 ARG 25 1HH2 ARG 25 -12.809 7.576 0.245 210 HH22 ARG 25 2HH2 ARG 25 -13.623 6.092 -0.144 211 H GLN 26 H GLN 26 -4.616 6.079 0.662 212 HA GLN 26 HA GLN 26 -5.560 7.047 3.161 213 HB2 GLN 26 2HB GLN 26 -3.342 5.034 2.589 214 HB3 GLN 26 3HB GLN 26 -4.063 5.321 4.168 215 HG2 GLN 26 2HG GLN 26 -5.429 4.152 1.741 216 HG3 GLN 26 3HG GLN 26 -4.971 3.300 3.205 217 HE21 GLN 26 1HE2 GLN 26 -7.581 3.543 1.940 218 HE22 GLN 26 2HE2 GLN 26 -8.637 4.234 3.117 219 H ALA 27 H ALA 27 -2.274 6.936 1.751 220 HA ALA 27 HA ALA 27 -0.874 8.243 3.758 221 HB1 ALA 27 3HB ALA 27 0.198 7.032 1.913 222 HB2 ALA 27 1HB ALA 27 0.856 8.662 2.059 223 HB3 ALA 27 2HB ALA 27 -0.302 8.288 0.777 224 H ARG 28 H ARG 28 -2.736 9.635 1.080 225 HA ARG 28 HA ARG 28 -1.869 12.347 1.472 226 HB2 ARG 28 2HB ARG 28 -4.205 11.217 -0.127 227 HB3 ARG 28 3HB ARG 28 -3.728 12.912 -0.132 228 HG2 ARG 28 2HG ARG 28 -1.487 12.227 -1.060 229 HG3 ARG 28 3HG ARG 28 -2.084 10.572 -1.154 230 HD2 ARG 28 2HD ARG 28 -2.270 11.661 -3.340 231 HD3 ARG 28 3HD ARG 28 -3.874 11.295 -2.699 232 HE ARG 28 HE ARG 28 -3.178 13.924 -1.972 233 HH11 ARG 28 1HH1 ARG 28 -4.052 12.142 -4.892 234 HH12 ARG 28 2HH1 ARG 28 -4.701 13.541 -5.685 235 HH21 ARG 28 1HH2 ARG 28 -4.028 15.728 -3.020 236 HH22 ARG 28 2HH2 ARG 28 -4.687 15.578 -4.619 237 H LYS 29 H LYS 29 -4.775 10.458 2.454 238 HA LYS 29 HA LYS 29 -6.154 12.737 3.558 239 HB2 LYS 29 2HB LYS 29 -7.826 11.212 4.386 240 HB3 LYS 29 3HB LYS 29 -7.353 10.665 2.784 241 HG2 LYS 29 2HG LYS 29 -5.923 8.930 3.827 242 HG3 LYS 29 3HG LYS 29 -6.466 9.450 5.418 243 HD2 LYS 29 2HD LYS 29 -8.249 8.317 3.222 244 HD3 LYS 29 3HD LYS 29 -7.654 7.416 4.615 245 HE2 LYS 29 2HE LYS 29 -8.904 9.018 6.105 246 HE3 LYS 29 3HE LYS 29 -9.581 9.766 4.654 247 HZ1 LYS 29 3HZ LYS 29 -11.110 8.146 5.589 248 HZ2 LYS 29 1HZ LYS 29 -9.949 6.924 5.476 249 HZ3 LYS 29 2HZ LYS 29 -10.579 7.622 4.072 250 H PHE 30 H PHE 30 -3.704 10.600 4.740 251 HA PHE 30 HA PHE 30 -3.980 11.449 7.531 252 HB2 PHE 30 2HB PHE 30 -1.980 9.579 6.186 253 HB3 PHE 30 3HB PHE 30 -2.012 9.924 7.912 254 HD1 PHE 30 HD1 PHE 30 -4.903 9.791 8.548 255 HD2 PHE 30 HD2 PHE 30 -2.544 7.283 6.007 256 HE1 PHE 30 HE1 PHE 30 -6.451 7.918 8.934 257 HE2 PHE 30 HE2 PHE 30 -4.109 5.423 6.393 258 HZ PHE 30 HZ PHE 30 -6.061 5.741 7.857 259 H ALA 31 H ALA 31 -2.791 12.911 4.870 260 HA ALA 31 HA ALA 31 -1.408 14.636 4.406 261 HB1 ALA 31 3HB ALA 31 -1.261 15.021 7.413 262 HB2 ALA 31 1HB ALA 31 -2.518 15.669 6.356 263 HB3 ALA 31 2HB ALA 31 -0.851 16.221 6.183 264 H GLY 32 H GLY 32 -0.195 12.407 4.037 265 HA2 GLY 32 2HA GLY 32 2.496 12.511 5.281 266 HA3 GLY 32 3HA GLY 32 1.665 11.022 4.856 267 H THR 33 H THR 33 3.918 10.875 3.798 268 HA THR 33 HA THR 33 3.975 12.047 1.082 269 HB THR 33 HB THR 33 6.250 10.797 2.705 270 HG1 THR 33 HG1 THR 33 5.525 12.791 3.592 271 HG21 THR 33 3HG2 THR 33 6.633 10.676 0.258 272 HG22 THR 33 1HG2 THR 33 7.743 11.814 1.028 273 HG23 THR 33 2HG2 THR 33 6.346 12.413 0.133 274 H VAL 34 H VAL 34 4.002 10.595 -0.705 275 HA VAL 34 HA VAL 34 4.382 7.726 -0.208 276 HB VAL 34 HB VAL 34 1.956 8.054 -0.053 277 HG11 VAL 34 1HG1 VAL 34 1.691 10.115 -1.338 278 HG12 VAL 34 2HG1 VAL 34 0.585 8.871 -1.923 279 HG13 VAL 34 3HG1 VAL 34 2.049 9.252 -2.836 280 HG21 VAL 34 3HG2 VAL 34 1.189 6.454 -1.768 281 HG22 VAL 34 1HG2 VAL 34 2.717 5.947 -1.042 282 HG23 VAL 34 2HG2 VAL 34 2.702 6.668 -2.653 283 H THR 35 H THR 35 5.633 6.820 -1.732 284 HA THR 35 HA THR 35 5.651 7.756 -4.512 285 HB THR 35 HB THR 35 8.186 7.514 -2.818 286 HG1 THR 35 HG1 THR 35 6.615 9.610 -3.521 287 HG21 THR 35 3HG2 THR 35 8.612 6.592 -5.084 288 HG22 THR 35 1HG2 THR 35 9.459 8.123 -4.847 289 HG23 THR 35 2HG2 THR 35 7.980 8.073 -5.807 290 H TYR 36 H TYR 36 5.858 6.035 -5.909 291 HA TYR 36 HA TYR 36 6.210 3.338 -4.718 292 HB2 TYR 36 2HB TYR 36 4.320 2.559 -6.120 293 HB3 TYR 36 3HB TYR 36 3.818 3.788 -4.968 294 HD1 TYR 36 HD2 TYR 36 3.137 6.047 -5.751 295 HD2 TYR 36 HD1 TYR 36 4.296 3.023 -8.551 296 HE1 TYR 36 HE2 TYR 36 2.160 7.363 -7.585 297 HE2 TYR 36 HE1 TYR 36 3.317 4.344 -10.374 298 HH TYR 36 HH TYR 36 1.665 6.121 -10.710 299 H THR 37 H THR 37 6.623 1.646 -6.299 300 HA THR 37 HA THR 37 7.684 2.474 -8.925 301 HB THR 37 HB THR 37 9.099 0.514 -7.050 302 HG1 THR 37 HG1 THR 37 9.296 3.256 -7.295 303 HG21 THR 37 3HG2 THR 37 9.474 0.007 -9.443 304 HG22 THR 37 1HG2 THR 37 10.949 0.628 -8.697 305 HG23 THR 37 2HG2 THR 37 9.974 1.677 -9.726 306 H LEU 38 H LEU 38 6.230 1.476 -10.268 307 HA LEU 38 HA LEU 38 5.214 -1.202 -9.868 308 HB2 LEU 38 2HB LEU 38 5.216 0.627 -12.310 309 HB3 LEU 38 3HB LEU 38 4.386 -0.921 -12.245 310 HG LEU 38 HG LEU 38 3.747 1.452 -10.445 311 HD11 LEU 38 1HD1 LEU 38 3.147 1.967 -12.757 312 HD12 LEU 38 2HD1 LEU 38 1.708 1.735 -11.770 313 HD13 LEU 38 3HD1 LEU 38 2.228 0.461 -12.876 314 HD21 LEU 38 3HD2 LEU 38 2.282 -1.180 -10.798 315 HD22 LEU 38 1HD2 LEU 38 1.733 0.189 -9.826 316 HD23 LEU 38 2HD2 LEU 38 3.206 -0.672 -9.378 317 H ASP 39 H ASP 39 6.171 -3.085 -10.523 318 HA ASP 39 HA ASP 39 8.329 -3.111 -12.510 319 HB2 ASP 39 2HB ASP 39 9.387 -2.674 -10.239 320 HB3 ASP 39 3HB ASP 39 8.763 -4.219 -9.690 321 H GLY 40 H GLY 40 7.116 -4.382 -13.835 322 HA2 GLY 40 2HA GLY 40 6.606 -6.383 -14.803 323 HA3 GLY 40 3HA GLY 40 7.212 -7.203 -13.375 324 H ASN 41 H ASN 41 5.759 -7.970 -11.877 325 HA ASN 41 HA ASN 41 2.876 -7.353 -12.208 326 HB2 ASN 41 2HB ASN 41 4.071 -10.111 -11.661 327 HB3 ASN 41 3HB ASN 41 2.352 -9.733 -11.716 328 HD21 ASN 41 1HD2 ASN 41 1.444 -9.095 -13.777 329 HD22 ASN 41 2HD2 ASN 41 2.160 -9.638 -15.246 330 H ASP 42 H ASP 42 5.019 -6.333 -10.399 331 HA ASP 42 HA ASP 42 3.428 -6.546 -7.956 332 HB2 ASP 42 2HB ASP 42 5.404 -6.770 -6.493 333 HB3 ASP 42 3HB ASP 42 5.207 -8.162 -7.544 334 H LEU 43 H LEU 43 3.989 -4.889 -6.412 335 HA LEU 43 HA LEU 43 4.853 -2.310 -7.598 336 HB2 LEU 43 2HB LEU 43 2.502 -2.245 -7.858 337 HB3 LEU 43 3HB LEU 43 2.210 -3.130 -6.369 338 HG LEU 43 HG LEU 43 2.890 -1.084 -5.069 339 HD11 LEU 43 1HD1 LEU 43 2.879 0.334 -7.744 340 HD12 LEU 43 2HD1 LEU 43 4.289 0.046 -6.727 341 HD13 LEU 43 3HD1 LEU 43 2.997 1.102 -6.160 342 HD21 LEU 43 3HD2 LEU 43 0.785 0.087 -5.439 343 HD22 LEU 43 1HD2 LEU 43 0.564 -1.662 -5.469 344 HD23 LEU 43 2HD2 LEU 43 0.577 -0.748 -6.981 345 H GLU 44 H GLU 44 6.208 -1.241 -6.221 346 HA GLU 44 HA GLU 44 6.346 -1.995 -3.353 347 HB2 GLU 44 2HB GLU 44 8.407 -2.462 -4.585 348 HB3 GLU 44 3HB GLU 44 8.453 -0.818 -5.224 349 HG2 GLU 44 2HG GLU 44 8.780 0.050 -2.910 350 HG3 GLU 44 3HG GLU 44 8.773 -1.598 -2.295 351 H ILE 45 H ILE 45 5.074 -0.548 -2.263 352 HA ILE 45 HA ILE 45 5.084 2.329 -2.949 353 HB ILE 45 HB ILE 45 3.343 0.813 -0.937 354 HG12 ILE 45 2HG1 ILE 45 2.636 1.752 -3.757 355 HG13 ILE 45 3HG1 ILE 45 2.955 0.085 -3.295 356 HG21 ILE 45 1HG2 ILE 45 3.055 3.652 -1.996 357 HG22 ILE 45 2HG2 ILE 45 3.553 3.199 -0.366 358 HG23 ILE 45 3HG2 ILE 45 1.918 2.836 -0.918 359 HD11 ILE 45 3HD1 ILE 45 1.000 0.123 -1.827 360 HD12 ILE 45 1HD1 ILE 45 0.597 0.474 -3.506 361 HD13 ILE 45 2HD1 ILE 45 0.663 1.784 -2.328 362 H ARG 46 H ARG 46 6.104 3.787 -1.663 363 HA ARG 46 HA ARG 46 7.193 2.985 0.980 364 HB2 ARG 46 2HB ARG 46 8.390 4.956 -1.028 365 HB3 ARG 46 3HB ARG 46 9.087 4.516 0.529 366 HG2 ARG 46 2HG ARG 46 9.447 2.204 -0.280 367 HG3 ARG 46 3HG ARG 46 8.727 2.635 -1.834 368 HD2 ARG 46 2HD ARG 46 10.532 4.327 -2.166 369 HD3 ARG 46 3HD ARG 46 11.270 3.804 -0.647 370 HE ARG 46 HE ARG 46 10.947 1.583 -2.377 371 HH11 ARG 46 1HH1 ARG 46 12.938 4.482 -2.041 372 HH12 ARG 46 2HH1 ARG 46 14.285 3.797 -2.888 373 HH21 ARG 46 1HH2 ARG 46 12.707 0.708 -3.502 374 HH22 ARG 46 2HH2 ARG 46 14.154 1.643 -3.722 375 H ILE 47 H ILE 47 5.958 3.970 2.472 376 HA ILE 47 HA ILE 47 4.884 6.688 1.997 377 HB ILE 47 HB ILE 47 3.875 4.563 3.951 378 HG12 ILE 47 2HG1 ILE 47 2.704 5.517 1.289 379 HG13 ILE 47 3HG1 ILE 47 3.463 3.957 1.569 380 HG21 ILE 47 1HG2 ILE 47 3.452 6.867 4.765 381 HG22 ILE 47 2HG2 ILE 47 1.949 6.062 4.316 382 HG23 ILE 47 3HG2 ILE 47 2.660 7.263 3.236 383 HD11 ILE 47 3HD1 ILE 47 1.081 3.731 1.486 384 HD12 ILE 47 1HD1 ILE 47 0.874 4.923 2.770 385 HD13 ILE 47 2HD1 ILE 47 1.649 3.374 3.116 386 H THR 48 H THR 48 5.836 8.273 3.064 387 HA THR 48 HA THR 48 7.573 7.744 5.409 388 HB THR 48 HB THR 48 8.001 9.926 3.309 389 HG1 THR 48 HG1 THR 48 8.374 7.278 3.003 390 HG21 THR 48 3HG2 THR 48 9.962 8.660 5.266 391 HG22 THR 48 1HG2 THR 48 9.217 10.258 5.442 392 HG23 THR 48 2HG2 THR 48 10.324 9.939 4.109 393 H GLY 49 H GLY 49 7.784 9.639 6.876 394 HA2 GLY 49 2HA GLY 49 7.278 11.733 7.730 395 HA3 GLY 49 3HA GLY 49 6.013 11.935 6.534 396 H VAL 50 H VAL 50 4.552 9.590 7.015 397 HA VAL 50 HA VAL 50 2.825 10.330 9.061 398 HB VAL 50 HB VAL 50 1.779 8.062 8.773 399 HG11 VAL 50 1HG1 VAL 50 1.090 8.353 6.422 400 HG12 VAL 50 2HG1 VAL 50 2.430 9.472 6.154 401 HG13 VAL 50 3HG1 VAL 50 1.131 9.900 7.271 402 HG21 VAL 50 3HG2 VAL 50 3.813 6.723 8.396 403 HG22 VAL 50 1HG2 VAL 50 4.072 7.526 6.843 404 HG23 VAL 50 2HG2 VAL 50 2.659 6.494 7.083 405 HA PRO 51 HA PRO 51 4.913 8.728 12.768 406 HB2 PRO 51 2HB PRO 51 2.814 8.874 14.539 407 HB3 PRO 51 3HB PRO 51 3.678 10.315 13.966 408 HG2 PRO 51 2HG PRO 51 1.069 9.181 12.999 409 HG3 PRO 51 3HG PRO 51 1.495 10.870 13.355 410 HD2 PRO 51 2HD PRO 51 1.465 9.914 10.816 411 HD3 PRO 51 3HD PRO 51 2.622 11.161 11.337 412 H GLU 52 H GLU 52 4.546 6.976 14.470 413 HA GLU 52 HA GLU 52 4.368 4.473 13.292 414 HB2 GLU 52 2HB GLU 52 5.544 4.848 15.413 415 HB3 GLU 52 3HB GLU 52 4.024 5.213 16.225 416 HG2 GLU 52 2HG GLU 52 3.321 2.793 15.561 417 HG3 GLU 52 3HG GLU 52 5.034 2.532 15.233 418 H GLN 53 H GLN 53 1.940 6.062 15.364 419 HA GLN 53 HA GLN 53 -0.041 4.154 15.481 420 HB2 GLN 53 2HB GLN 53 -1.637 6.092 15.802 421 HB3 GLN 53 3HB GLN 53 -0.202 6.145 16.819 422 HG2 GLN 53 2HG GLN 53 0.809 7.857 15.455 423 HG3 GLN 53 3HG GLN 53 -0.451 7.707 14.234 424 HE21 GLN 53 1HE2 GLN 53 -2.482 8.664 14.619 425 HE22 GLN 53 2HE2 GLN 53 -2.717 9.826 15.876 426 H VAL 54 H VAL 54 0.505 6.496 12.887 427 HA VAL 54 HA VAL 54 -1.869 5.816 11.413 428 HB VAL 54 HB VAL 54 0.553 7.550 10.768 429 HG11 VAL 54 1HG1 VAL 54 -0.723 8.425 8.841 430 HG12 VAL 54 2HG1 VAL 54 -1.967 7.202 9.111 431 HG13 VAL 54 3HG1 VAL 54 -0.336 6.713 8.649 432 HG21 VAL 54 3HG2 VAL 54 -1.033 9.423 11.099 433 HG22 VAL 54 1HG2 VAL 54 -0.913 8.422 12.547 434 HG23 VAL 54 2HG2 VAL 54 -2.317 8.275 11.486 435 H ARG 55 H ARG 55 1.617 5.055 11.147 436 HA ARG 55 HA ARG 55 1.683 3.566 8.789 437 HB2 ARG 55 2HB ARG 55 3.250 3.327 11.378 438 HB3 ARG 55 3HB ARG 55 3.583 2.270 10.011 439 HG2 ARG 55 2HG ARG 55 4.391 4.027 8.671 440 HG3 ARG 55 3HG ARG 55 3.649 5.273 9.680 441 HD2 ARG 55 2HD ARG 55 6.232 4.848 9.842 442 HD3 ARG 55 3HD ARG 55 5.295 5.137 11.310 443 HE ARG 55 HE ARG 55 5.701 2.349 10.540 444 HH11 ARG 55 1HH1 ARG 55 6.816 5.000 12.565 445 HH12 ARG 55 2HH1 ARG 55 7.617 3.957 13.691 446 HH21 ARG 55 1HH2 ARG 55 6.657 0.994 12.111 447 HH22 ARG 55 2HH2 ARG 55 7.527 1.692 13.435 448 H LYS 56 H LYS 56 0.807 2.529 12.083 449 HA LYS 56 HA LYS 56 0.361 -0.187 11.655 450 HB2 LYS 56 2HB LYS 56 -1.098 1.711 13.548 451 HB3 LYS 56 3HB LYS 56 -1.132 -0.048 13.658 452 HG2 LYS 56 2HG LYS 56 1.301 -0.085 14.107 453 HG3 LYS 56 3HG LYS 56 1.358 1.672 13.957 454 HD2 LYS 56 2HD LYS 56 1.321 1.113 16.322 455 HD3 LYS 56 3HD LYS 56 -0.224 1.852 15.897 456 HE2 LYS 56 2HE LYS 56 -1.236 -0.417 15.747 457 HE3 LYS 56 3HE LYS 56 0.306 -1.118 16.241 458 HZ1 LYS 56 3HZ LYS 56 -1.278 -0.886 18.072 459 HZ2 LYS 56 1HZ LYS 56 -1.272 0.794 17.875 460 HZ3 LYS 56 2HZ LYS 56 0.138 -0.011 18.338 461 H GLU 57 H GLU 57 -1.812 2.591 11.165 462 HA GLU 57 HA GLU 57 -4.114 1.109 10.430 463 HB2 GLU 57 2HB GLU 57 -3.385 3.965 9.662 464 HB3 GLU 57 3HB GLU 57 -4.988 3.247 9.528 465 HG2 GLU 57 2HG GLU 57 -3.457 3.887 12.059 466 HG3 GLU 57 3HG GLU 57 -4.959 4.615 11.497 467 H LEU 58 H LEU 58 -1.414 2.455 8.552 468 HA LEU 58 HA LEU 58 -2.340 1.769 5.969 469 HB2 LEU 58 2HB LEU 58 0.391 2.389 7.103 470 HB3 LEU 58 3HB LEU 58 0.287 1.712 5.494 471 HG LEU 58 HG LEU 58 0.487 4.065 5.216 472 HD11 LEU 58 1HD1 LEU 58 -1.556 4.713 4.042 473 HD12 LEU 58 2HD1 LEU 58 -2.425 3.363 4.777 474 HD13 LEU 58 3HD1 LEU 58 -1.081 3.059 3.674 475 HD21 LEU 58 3HD2 LEU 58 -0.989 5.743 6.225 476 HD22 LEU 58 1HD2 LEU 58 -0.103 4.832 7.444 477 HD23 LEU 58 2HD2 LEU 58 -1.807 4.480 7.151 478 H ALA 59 H ALA 59 -0.820 -0.195 8.486 479 HA ALA 59 HA ALA 59 -0.252 -2.470 6.894 480 HB1 ALA 59 3HB ALA 59 -0.083 -3.688 9.002 481 HB2 ALA 59 1HB ALA 59 -0.879 -2.363 9.864 482 HB3 ALA 59 2HB ALA 59 0.710 -2.120 9.135 483 H LYS 60 H LYS 60 -3.168 -1.613 8.855 484 HA LYS 60 HA LYS 60 -4.641 -3.959 8.174 485 HB2 LYS 60 2HB LYS 60 -5.463 -1.279 9.295 486 HB3 LYS 60 3HB LYS 60 -6.709 -2.360 8.701 487 HG2 LYS 60 2HG LYS 60 -6.661 -2.801 10.997 488 HG3 LYS 60 3HG LYS 60 -5.723 -4.125 10.312 489 HD2 LYS 60 2HD LYS 60 -4.638 -3.319 12.325 490 HD3 LYS 60 3HD LYS 60 -3.629 -2.914 10.934 491 HE2 LYS 60 2HE LYS 60 -3.737 -1.048 12.527 492 HE3 LYS 60 3HE LYS 60 -4.462 -0.597 10.990 493 HZ1 LYS 60 3HZ LYS 60 -5.879 -1.284 13.506 494 HZ2 LYS 60 1HZ LYS 60 -6.656 -1.032 12.028 495 HZ3 LYS 60 2HZ LYS 60 -5.800 0.227 12.754 496 H GLU 61 H GLU 61 -4.247 -0.819 6.563 497 HA GLU 61 HA GLU 61 -6.292 -1.224 4.611 498 HB2 GLU 61 2HB GLU 61 -3.878 0.638 4.566 499 HB3 GLU 61 3HB GLU 61 -5.181 0.663 3.383 500 HG2 GLU 61 2HG GLU 61 -5.392 1.291 6.335 501 HG3 GLU 61 3HG GLU 61 -5.536 2.430 5.002 502 H ALA 62 H ALA 62 -2.765 -1.758 4.626 503 HA ALA 62 HA ALA 62 -2.327 -2.691 2.055 504 HB1 ALA 62 3HB ALA 62 -0.384 -3.877 2.995 505 HB2 ALA 62 1HB ALA 62 -1.047 -3.693 4.627 506 HB3 ALA 62 2HB ALA 62 -0.547 -2.273 3.708 507 H GLU 63 H GLU 63 -3.291 -4.552 4.919 508 HA GLU 63 HA GLU 63 -3.408 -7.106 3.733 509 HB2 GLU 63 2HB GLU 63 -4.731 -5.993 6.234 510 HB3 GLU 63 3HB GLU 63 -4.683 -7.707 5.820 511 HG2 GLU 63 2HG GLU 63 -2.214 -7.687 5.943 512 HG3 GLU 63 3HG GLU 63 -2.237 -5.964 6.307 513 H ARG 64 H ARG 64 -5.993 -4.660 4.289 514 HA ARG 64 HA ARG 64 -8.124 -6.407 3.546 515 HB2 ARG 64 2HB ARG 64 -9.612 -4.518 3.664 516 HB3 ARG 64 3HB ARG 64 -8.443 -4.341 4.964 517 HG2 ARG 64 2HG ARG 64 -7.193 -2.714 3.498 518 HG3 ARG 64 3HG ARG 64 -8.530 -2.800 2.356 519 HD2 ARG 64 2HD ARG 64 -8.804 -1.923 5.252 520 HD3 ARG 64 3HD ARG 64 -8.585 -0.820 3.896 521 HE ARG 64 HE ARG 64 -10.856 -2.534 3.533 522 HH11 ARG 64 1HH1 ARG 64 -9.777 0.432 5.117 523 HH12 ARG 64 2HH1 ARG 64 -11.378 1.107 5.209 524 HH21 ARG 64 1HH2 ARG 64 -12.969 -1.655 3.695 525 HH22 ARG 64 2HH2 ARG 64 -13.197 -0.083 4.399 526 H LEU 65 H LEU 65 -6.036 -4.214 1.730 527 HA LEU 65 HA LEU 65 -7.539 -4.345 -0.734 528 HB2 LEU 65 2HB LEU 65 -4.673 -3.464 -0.243 529 HB3 LEU 65 3HB LEU 65 -5.595 -3.178 -1.712 530 HG LEU 65 HG LEU 65 -6.221 -2.015 1.022 531 HD11 LEU 65 1HD1 LEU 65 -5.533 0.115 0.076 532 HD12 LEU 65 2HD1 LEU 65 -5.118 -0.673 -1.449 533 HD13 LEU 65 3HD1 LEU 65 -4.221 -1.060 0.022 534 HD21 LEU 65 3HD2 LEU 65 -8.291 -2.370 -0.201 535 HD22 LEU 65 1HD2 LEU 65 -7.637 -1.539 -1.617 536 HD23 LEU 65 2HD2 LEU 65 -7.920 -0.651 -0.117 537 H ALA 66 H ALA 66 -4.821 -6.092 0.685 538 HA ALA 66 HA ALA 66 -3.914 -7.543 -1.524 539 HB1 ALA 66 3HB ALA 66 -2.773 -7.535 0.661 540 HB2 ALA 66 1HB ALA 66 -3.047 -9.179 0.084 541 HB3 ALA 66 2HB ALA 66 -4.076 -8.503 1.352 542 H LYS 67 H LYS 67 -6.440 -8.454 0.843 543 HA LYS 67 HA LYS 67 -7.121 -10.893 -0.530 544 HB2 LYS 67 2HB LYS 67 -8.962 -11.051 1.147 545 HB3 LYS 67 3HB LYS 67 -7.378 -10.812 1.872 546 HG2 LYS 67 2HG LYS 67 -7.882 -8.441 2.260 547 HG3 LYS 67 3HG LYS 67 -9.459 -8.632 1.495 548 HD2 LYS 67 2HD LYS 67 -8.573 -10.092 4.023 549 HD3 LYS 67 3HD LYS 67 -9.587 -8.647 3.991 550 HE2 LYS 67 2HE LYS 67 -11.326 -9.861 2.748 551 HE3 LYS 67 3HE LYS 67 -10.308 -11.302 2.695 552 HZ1 LYS 67 3HZ LYS 67 -11.398 -10.040 5.145 553 HZ2 LYS 67 1HZ LYS 67 -10.417 -11.413 5.103 554 HZ3 LYS 67 2HZ LYS 67 -11.965 -11.458 4.427 555 H GLU 68 H GLU 68 -8.289 -7.586 -0.548 556 HA GLU 68 HA GLU 68 -10.833 -7.903 -1.731 557 HB2 GLU 68 2HB GLU 68 -9.999 -5.812 -0.644 558 HB3 GLU 68 3HB GLU 68 -8.878 -5.575 -1.977 559 HG2 GLU 68 2HG GLU 68 -10.741 -4.090 -2.271 560 HG3 GLU 68 3HG GLU 68 -10.824 -5.328 -3.518 561 H PHE 69 H PHE 69 -7.687 -7.103 -3.194 562 HA PHE 69 HA PHE 69 -8.751 -7.366 -5.914 563 HB2 PHE 69 2HB PHE 69 -6.077 -6.311 -4.895 564 HB3 PHE 69 3HB PHE 69 -6.592 -6.292 -6.579 565 HD1 PHE 69 HD1 PHE 69 -8.904 -5.078 -7.049 566 HD2 PHE 69 HD2 PHE 69 -6.502 -4.368 -3.580 567 HE1 PHE 69 HE1 PHE 69 -10.043 -2.928 -6.686 568 HE2 PHE 69 HE2 PHE 69 -7.648 -2.217 -3.231 569 HZ PHE 69 HZ PHE 69 -9.425 -1.502 -4.775 570 H ASN 70 H ASN 70 -7.666 -9.530 -3.805 571 HA ASN 70 HA ASN 70 -7.036 -11.686 -3.932 572 HB2 ASN 70 2HB ASN 70 -8.701 -11.640 -5.843 573 HB3 ASN 70 3HB ASN 70 -7.360 -11.415 -6.958 574 HD21 ASN 70 1HD2 ASN 70 -6.069 -13.214 -7.474 575 HD22 ASN 70 2HD2 ASN 70 -6.475 -14.825 -7.004 576 H ILE 71 H ILE 71 -5.095 -9.549 -4.024 577 HA ILE 71 HA ILE 71 -2.734 -10.860 -5.251 578 HB ILE 71 HB ILE 71 -1.613 -8.603 -4.975 579 HG12 ILE 71 2HG1 ILE 71 -4.450 -7.686 -4.295 580 HG13 ILE 71 3HG1 ILE 71 -3.037 -7.591 -3.253 581 HG21 ILE 71 1HG2 ILE 71 -2.643 -7.589 -6.962 582 HG22 ILE 71 2HG2 ILE 71 -4.046 -8.643 -6.785 583 HG23 ILE 71 3HG2 ILE 71 -2.464 -9.335 -7.155 584 HD11 ILE 71 3HD1 ILE 71 -3.525 -6.009 -5.773 585 HD12 ILE 71 1HD1 ILE 71 -2.040 -5.956 -4.816 586 HD13 ILE 71 2HD1 ILE 71 -3.565 -5.419 -4.111 587 H THR 72 H THR 72 -0.711 -10.551 -3.983 588 HA THR 72 HA THR 72 -1.074 -11.014 -1.108 589 HB THR 72 HB THR 72 1.456 -11.553 -1.238 590 HG1 THR 72 HG1 THR 72 0.937 -11.595 -4.030 591 HG21 THR 72 3HG2 THR 72 1.123 -13.791 -2.241 592 HG22 THR 72 1HG2 THR 72 -0.418 -13.261 -2.923 593 HG23 THR 72 2HG2 THR 72 -0.217 -13.372 -1.172 594 H VAL 73 H VAL 73 0.271 -9.857 0.449 595 HA VAL 73 HA VAL 73 1.685 -7.455 -0.481 596 HB VAL 73 HB VAL 73 -0.686 -6.803 0.252 597 HG11 VAL 73 1HG1 VAL 73 -1.206 -6.663 2.654 598 HG12 VAL 73 2HG1 VAL 73 0.301 -7.499 3.041 599 HG13 VAL 73 3HG1 VAL 73 -0.966 -8.337 2.144 600 HG21 VAL 73 3HG2 VAL 73 1.119 -5.149 0.128 601 HG22 VAL 73 1HG2 VAL 73 1.615 -5.529 1.779 602 HG23 VAL 73 2HG2 VAL 73 0.040 -4.787 1.476 603 H THR 74 H THR 74 3.261 -6.728 0.935 604 HA THR 74 HA THR 74 3.761 -8.070 3.484 605 HB THR 74 HB THR 74 5.250 -9.287 1.969 606 HG1 THR 74 HG1 THR 74 6.884 -7.363 3.293 607 HG21 THR 74 3HG2 THR 74 6.381 -6.600 1.105 608 HG22 THR 74 1HG2 THR 74 5.393 -7.669 0.103 609 HG23 THR 74 2HG2 THR 74 6.997 -8.182 0.627 610 H TYR 75 H TYR 75 4.805 -6.680 4.962 611 HA TYR 75 HA TYR 75 5.533 -3.971 4.136 612 HB2 TYR 75 2HB TYR 75 4.062 -2.932 5.917 613 HB3 TYR 75 3HB TYR 75 3.171 -3.626 4.568 614 HD1 TYR 75 HD2 TYR 75 1.832 -5.710 4.879 615 HD2 TYR 75 HD1 TYR 75 3.858 -3.894 8.183 616 HE1 TYR 75 HE2 TYR 75 0.517 -7.083 6.441 617 HE2 TYR 75 HE1 TYR 75 2.546 -5.271 9.738 618 HH TYR 75 HH TYR 75 0.738 -7.948 8.763 619 H THR 76 H THR 76 6.881 -2.901 5.600 620 HA THR 76 HA THR 76 7.880 -4.495 7.898 621 HB THR 76 HB THR 76 9.504 -2.541 6.199 622 HG1 THR 76 HG1 THR 76 9.011 -4.432 5.021 623 HG21 THR 76 3HG2 THR 76 10.403 -4.517 8.342 624 HG22 THR 76 1HG2 THR 76 10.372 -2.757 8.513 625 HG23 THR 76 2HG2 THR 76 11.470 -3.513 7.359 626 H ILE 77 H ILE 77 7.479 -3.596 9.782 627 HA ILE 77 HA ILE 77 7.734 -0.742 10.292 628 HB ILE 77 HB ILE 77 5.578 -0.824 11.758 629 HG12 ILE 77 2HG1 ILE 77 4.893 -3.134 9.869 630 HG13 ILE 77 3HG1 ILE 77 5.140 -3.255 11.606 631 HG21 ILE 77 1HG2 ILE 77 4.121 -0.041 9.955 632 HG22 ILE 77 2HG2 ILE 77 5.236 -0.703 8.759 633 HG23 ILE 77 3HG2 ILE 77 5.752 0.621 9.807 634 HD11 ILE 77 3HD1 ILE 77 2.877 -1.819 10.218 635 HD12 ILE 77 1HD1 ILE 77 3.153 -1.841 11.963 636 HD13 ILE 77 2HD1 ILE 77 2.800 -3.339 11.108 637 H ARG 78 H ARG 78 8.529 -0.389 12.314 638 HA ARG 78 HA ARG 78 8.682 -2.654 14.234 639 HB2 ARG 78 2HB ARG 78 10.537 -0.264 13.853 640 HB3 ARG 78 3HB ARG 78 10.633 -1.374 15.214 641 HG2 ARG 78 2HG ARG 78 11.129 -3.235 13.624 642 HG3 ARG 78 3HG ARG 78 11.127 -2.064 12.300 643 HD2 ARG 78 2HD ARG 78 12.988 -0.837 13.393 644 HD3 ARG 78 3HD ARG 78 12.988 -2.019 14.708 645 HE ARG 78 HE ARG 78 13.366 -3.245 12.139 646 HH11 ARG 78 1HH1 ARG 78 15.060 -1.514 14.686 647 HH12 ARG 78 2HH1 ARG 78 16.610 -2.180 14.289 648 HH21 ARG 78 1HH2 ARG 78 15.434 -4.142 11.629 649 HH22 ARG 78 2HH2 ARG 78 16.822 -3.673 12.554 650 H GLY 79 H GLY 79 9.259 -1.331 16.535 651 HA2 GLY 79 2HA GLY 79 8.710 0.405 18.004 652 HA3 GLY 79 3HA GLY 79 7.487 0.979 16.886 653 H SER 80 H SER 80 5.871 -1.081 16.477 654 HA SER 80 HA SER 80 4.510 -1.424 19.028 655 HB2 SER 80 2HB SER 80 3.662 -2.232 16.215 656 HB3 SER 80 3HB SER 80 2.626 -2.196 17.645 657 HG SER 80 HG SER 80 3.265 0.141 17.718 658 H LEU 81 H LEU 81 6.828 -3.177 17.384 659 HA LEU 81 HA LEU 81 5.841 -5.868 18.015 660 HB2 LEU 81 2HB LEU 81 8.459 -5.001 16.725 661 HB3 LEU 81 3HB LEU 81 7.834 -6.642 16.797 662 HG LEU 81 HG LEU 81 6.647 -4.332 15.202 663 HD11 LEU 81 1HD1 LEU 81 8.697 -5.193 14.217 664 HD12 LEU 81 2HD1 LEU 81 7.310 -5.641 13.229 665 HD13 LEU 81 3HD1 LEU 81 8.073 -6.845 14.274 666 HD21 LEU 81 3HD2 LEU 81 4.838 -5.774 15.995 667 HD22 LEU 81 1HD2 LEU 81 5.669 -7.206 15.383 668 HD23 LEU 81 2HD2 LEU 81 5.068 -5.981 14.262 669 H GLU 82 H GLU 82 6.692 -3.800 20.082 670 HA GLU 82 HA GLU 82 8.340 -5.588 21.730 671 HB2 GLU 82 2HB GLU 82 9.828 -3.790 22.448 672 HB3 GLU 82 3HB GLU 82 9.888 -3.901 20.692 673 HG2 GLU 82 2HG GLU 82 8.153 -1.987 20.674 674 HG3 GLU 82 3HG GLU 82 8.528 -1.786 22.381 675 H HIS 83 H HIS 83 7.960 -5.333 23.979 676 HA HIS 83 HA HIS 83 6.497 -3.299 25.244 677 HB2 HIS 83 2HB HIS 83 4.351 -4.567 25.779 678 HB3 HIS 83 3HB HIS 83 4.474 -4.009 24.117 679 HD1 HIS 83 HD1 HIS 83 4.440 -5.751 22.282 680 HD2 HIS 83 HD2 HIS 83 4.515 -7.414 26.084 681 HE1 HIS 83 HE1 HIS 83 3.929 -8.190 21.970 682 HE2 HIS 83 HE2 HIS 83 3.758 -9.104 24.294 683 H HIS 84 H HIS 84 5.885 -3.872 27.493 684 HA HIS 84 HA HIS 84 7.022 -6.349 28.605 685 HB2 HIS 84 2HB HIS 84 7.740 -3.523 29.510 686 HB3 HIS 84 3HB HIS 84 7.938 -4.918 30.563 687 HD1 HIS 84 HD1 HIS 84 9.787 -6.638 29.933 688 HD2 HIS 84 HD2 HIS 84 9.730 -3.230 27.547 689 HE1 HIS 84 HE1 HIS 84 11.969 -6.640 28.701 690 HE2 HIS 84 HE2 HIS 84 11.820 -4.697 27.114 691 H HIS 85 H HIS 85 5.791 -7.144 30.294 692 HA HIS 85 HA HIS 85 3.138 -6.212 30.589 693 HB2 HIS 85 2HB HIS 85 2.870 -7.994 32.271 694 HB3 HIS 85 3HB HIS 85 3.732 -8.596 30.867 695 HD1 HIS 85 HD1 HIS 85 6.138 -9.452 31.235 696 HD2 HIS 85 HD2 HIS 85 4.392 -7.911 34.678 697 HE1 HIS 85 HE1 HIS 85 7.637 -10.136 33.126 698 HE2 HIS 85 HE2 HIS 85 6.650 -9.055 35.162 699 H HIS 86 H HIS 86 2.333 -4.655 31.856 700 HA HIS 86 HA HIS 86 3.765 -3.851 34.330 701 HB2 HIS 86 2HB HIS 86 2.523 -1.996 32.247 702 HB3 HIS 86 3HB HIS 86 3.042 -1.471 33.845 703 HD1 HIS 86 HD1 HIS 86 4.216 -1.433 30.520 704 HD2 HIS 86 HD2 HIS 86 6.023 -2.292 34.168 705 HE1 HIS 86 HE1 HIS 86 6.679 -1.122 30.150 706 HE2 HIS 86 HE2 HIS 86 7.718 -1.452 32.408 707 H HIS 87 H HIS 87 2.516 -4.551 35.901 708 HA HIS 87 HA HIS 87 -0.108 -3.412 36.247 709 HB2 HIS 87 2HB HIS 87 -1.337 -5.497 36.631 710 HB3 HIS 87 3HB HIS 87 -0.674 -5.511 35.005 711 HD1 HIS 87 HD1 HIS 87 1.114 -7.288 34.466 712 HD2 HIS 87 HD2 HIS 87 -0.309 -7.468 38.369 713 HE1 HIS 87 HE1 HIS 87 1.912 -9.479 35.381 714 HE2 HIS 87 HE2 HIS 87 1.190 -9.485 37.784 715 H HIS 88 H HIS 88 -0.939 -3.785 38.441 716 HA HIS 88 HA HIS 88 1.084 -4.564 40.421 717 HB2 HIS 88 2HB HIS 88 0.495 -2.508 41.790 718 HB3 HIS 88 3HB HIS 88 1.412 -2.186 40.324 719 HD1 HIS 88 HD1 HIS 88 -0.115 -1.298 38.236 720 HD2 HIS 88 HD2 HIS 88 -1.774 -0.947 42.031 721 HE1 HIS 88 HE1 HIS 88 -1.961 0.385 38.014 722 HE2 HIS 88 HE2 HIS 88 -3.009 0.500 40.286 Start of MODEL 13 1 H1 MET 1 1H MET 1 7.161 10.261 14.727 2 H2 MET 1 2H MET 1 6.599 10.905 13.266 3 H3 MET 1 3H MET 1 7.672 11.793 14.223 4 HA MET 1 HA MET 1 8.778 10.839 12.321 5 HB2 MET 1 2HB MET 1 10.137 11.176 14.322 6 HB3 MET 1 3HB MET 1 9.551 9.683 15.041 7 HG2 MET 1 2HG MET 1 10.737 8.393 13.286 8 HG3 MET 1 3HG MET 1 11.333 9.905 12.599 9 HE1 MET 1 3HE MET 1 13.746 8.521 12.807 10 HE2 MET 1 1HE MET 1 12.981 7.218 13.721 11 HE3 MET 1 2HE MET 1 14.408 8.028 14.365 12 H GLY 2 H GLY 2 9.103 9.106 10.961 13 HA2 GLY 2 2HA GLY 2 9.517 6.585 11.272 14 HA3 GLY 2 3HA GLY 2 7.792 6.550 11.608 15 H GLU 3 H GLU 3 9.071 5.127 9.634 16 HA GLU 3 HA GLU 3 7.596 6.037 7.267 17 HB2 GLU 3 2HB GLU 3 9.456 5.487 5.785 18 HB3 GLU 3 3HB GLU 3 9.979 6.703 6.942 19 HG2 GLU 3 2HG GLU 3 11.037 4.865 8.293 20 HG3 GLU 3 3HG GLU 3 10.632 3.742 6.998 21 H MET 4 H MET 4 7.254 4.216 5.762 22 HA MET 4 HA MET 4 7.303 1.519 6.922 23 HB2 MET 4 2HB MET 4 5.144 2.432 7.692 24 HB3 MET 4 3HB MET 4 4.747 2.980 6.065 25 HG2 MET 4 2HG MET 4 4.594 0.665 5.304 26 HG3 MET 4 3HG MET 4 5.076 0.088 6.905 27 HE1 MET 4 3HE MET 4 1.384 -0.956 7.052 28 HE2 MET 4 1HE MET 4 3.056 -1.415 7.368 29 HE3 MET 4 2HE MET 4 2.513 -1.132 5.711 30 H ASP 5 H ASP 5 7.433 -0.088 5.274 31 HA ASP 5 HA ASP 5 7.514 0.888 2.492 32 HB2 ASP 5 2HB ASP 5 9.768 0.379 3.268 33 HB3 ASP 5 3HB ASP 5 9.246 -1.113 4.031 34 H ILE 6 H ILE 6 5.677 0.180 1.621 35 HA ILE 6 HA ILE 6 4.413 -2.379 2.460 36 HB ILE 6 HB ILE 6 3.088 -0.066 0.938 37 HG12 ILE 6 2HG1 ILE 6 2.854 -0.729 3.911 38 HG13 ILE 6 3HG1 ILE 6 3.676 0.671 3.232 39 HG21 ILE 6 1HG2 ILE 6 0.963 -1.222 1.433 40 HG22 ILE 6 2HG2 ILE 6 1.837 -2.514 2.254 41 HG23 ILE 6 3HG2 ILE 6 2.050 -2.271 0.519 42 HD11 ILE 6 3HD1 ILE 6 1.523 1.281 4.117 43 HD12 ILE 6 1HD1 ILE 6 0.719 0.107 3.075 44 HD13 ILE 6 2HD1 ILE 6 1.544 1.501 2.368 45 H ARG 7 H ARG 7 3.925 -3.863 0.806 46 HA ARG 7 HA ARG 7 4.717 -3.245 -1.948 47 HB2 ARG 7 2HB ARG 7 6.743 -4.041 -0.686 48 HB3 ARG 7 3HB ARG 7 5.928 -5.573 -0.405 49 HG2 ARG 7 2HG ARG 7 5.972 -6.121 -2.744 50 HG3 ARG 7 3HG ARG 7 6.486 -4.493 -3.189 51 HD2 ARG 7 2HD ARG 7 8.153 -6.373 -1.475 52 HD3 ARG 7 3HD ARG 7 8.314 -6.237 -3.225 53 HE ARG 7 HE ARG 7 9.304 -4.143 -2.996 54 HH11 ARG 7 1HH1 ARG 7 8.319 -5.287 0.175 55 HH12 ARG 7 2HH1 ARG 7 9.238 -4.080 1.018 56 HH21 ARG 7 1HH2 ARG 7 10.496 -2.568 -1.861 57 HH22 ARG 7 2HH2 ARG 7 10.460 -2.552 -0.122 58 H PHE 8 H PHE 8 3.272 -4.049 -3.259 59 HA PHE 8 HA PHE 8 1.615 -6.385 -2.512 60 HB2 PHE 8 2HB PHE 8 1.125 -4.116 -4.509 61 HB3 PHE 8 3HB PHE 8 0.113 -5.554 -4.399 62 HD1 PHE 8 HD1 PHE 8 1.053 -2.399 -2.720 63 HD2 PHE 8 HD2 PHE 8 -1.415 -5.888 -2.521 64 HE1 PHE 8 HE1 PHE 8 -0.295 -1.361 -0.948 65 HE2 PHE 8 HE2 PHE 8 -2.760 -4.834 -0.758 66 HZ PHE 8 HZ PHE 8 -2.200 -2.574 0.035 67 H ARG 9 H ARG 9 1.307 -7.970 -4.143 68 HA ARG 9 HA ARG 9 2.801 -7.801 -6.637 69 HB2 ARG 9 2HB ARG 9 4.246 -9.065 -4.811 70 HB3 ARG 9 3HB ARG 9 3.087 -10.377 -5.009 71 HG2 ARG 9 2HG ARG 9 3.577 -10.410 -7.445 72 HG3 ARG 9 3HG ARG 9 4.777 -9.147 -7.207 73 HD2 ARG 9 2HD ARG 9 5.821 -10.921 -5.513 74 HD3 ARG 9 3HD ARG 9 4.897 -12.060 -6.504 75 HE ARG 9 HE ARG 9 6.440 -10.204 -8.048 76 HH11 ARG 9 1HH1 ARG 9 6.627 -13.336 -6.460 77 HH12 ARG 9 2HH1 ARG 9 7.977 -13.851 -7.417 78 HH21 ARG 9 1HH2 ARG 9 8.242 -10.819 -9.175 79 HH22 ARG 9 2HH2 ARG 9 8.901 -12.415 -8.967 80 H GLY 10 H GLY 10 1.640 -8.768 -8.264 81 HA2 GLY 10 2HA GLY 10 -0.556 -10.581 -7.702 82 HA3 GLY 10 3HA GLY 10 -1.053 -8.942 -8.117 83 H ASP 11 H ASP 11 -1.092 -11.719 -9.394 84 HA ASP 11 HA ASP 11 0.278 -11.834 -11.808 85 HB2 ASP 11 2HB ASP 11 -0.965 -13.723 -10.910 86 HB3 ASP 11 3HB ASP 11 -2.482 -12.844 -11.009 87 H ASP 12 H ASP 12 -2.592 -10.022 -10.933 88 HA ASP 12 HA ASP 12 -2.859 -8.898 -13.653 89 HB2 ASP 12 2HB ASP 12 -4.954 -9.826 -12.786 90 HB3 ASP 12 3HB ASP 12 -4.807 -8.893 -11.302 91 H LEU 13 H LEU 13 -1.692 -7.122 -13.896 92 HA LEU 13 HA LEU 13 -0.541 -5.545 -11.866 93 HB2 LEU 13 2HB LEU 13 0.429 -5.739 -14.110 94 HB3 LEU 13 3HB LEU 13 -0.972 -4.955 -14.812 95 HG LEU 13 HG LEU 13 -0.340 -2.849 -13.524 96 HD11 LEU 13 1HD1 LEU 13 1.059 -3.831 -11.778 97 HD12 LEU 13 2HD1 LEU 13 1.945 -2.606 -12.681 98 HD13 LEU 13 3HD1 LEU 13 2.258 -4.318 -12.980 99 HD21 LEU 13 3HD2 LEU 13 0.124 -3.085 -15.909 100 HD22 LEU 13 1HD2 LEU 13 1.670 -3.861 -15.555 101 HD23 LEU 13 2HD2 LEU 13 1.402 -2.172 -15.111 102 H GLU 14 H GLU 14 -3.675 -5.322 -13.410 103 HA GLU 14 HA GLU 14 -4.151 -2.534 -12.918 104 HB2 GLU 14 2HB GLU 14 -6.218 -4.741 -13.345 105 HB3 GLU 14 3HB GLU 14 -6.536 -3.010 -13.379 106 HG2 GLU 14 2HG GLU 14 -4.754 -2.981 -15.314 107 HG3 GLU 14 3HG GLU 14 -5.081 -4.708 -15.395 108 H ALA 15 H ALA 15 -4.839 -5.545 -11.161 109 HA ALA 15 HA ALA 15 -6.452 -4.500 -9.093 110 HB1 ALA 15 3HB ALA 15 -6.348 -6.893 -9.631 111 HB2 ALA 15 1HB ALA 15 -5.940 -6.631 -7.935 112 HB3 ALA 15 2HB ALA 15 -4.664 -6.960 -9.109 113 H LEU 16 H LEU 16 -2.985 -4.736 -9.519 114 HA LEU 16 HA LEU 16 -2.111 -3.972 -6.937 115 HB2 LEU 16 2HB LEU 16 -0.782 -3.538 -9.646 116 HB3 LEU 16 3HB LEU 16 0.020 -3.340 -8.094 117 HG LEU 16 HG LEU 16 -1.079 -5.961 -9.184 118 HD11 LEU 16 1HD1 LEU 16 0.908 -5.220 -10.407 119 HD12 LEU 16 2HD1 LEU 16 1.267 -6.636 -9.424 120 HD13 LEU 16 3HD1 LEU 16 1.798 -5.037 -8.892 121 HD21 LEU 16 3HD2 LEU 16 0.466 -5.422 -6.629 122 HD22 LEU 16 1HD2 LEU 16 0.011 -7.008 -7.251 123 HD23 LEU 16 2HD2 LEU 16 -1.238 -5.876 -6.745 124 H GLU 17 H GLU 17 -3.022 -2.148 -9.820 125 HA GLU 17 HA GLU 17 -2.257 0.433 -8.792 126 HB2 GLU 17 2HB GLU 17 -3.897 -0.341 -11.242 127 HB3 GLU 17 3HB GLU 17 -3.375 1.301 -10.867 128 HG2 GLU 17 2HG GLU 17 -1.002 0.567 -10.992 129 HG3 GLU 17 3HG GLU 17 -1.547 -1.058 -11.407 130 H LYS 18 H LYS 18 -5.237 -1.448 -8.735 131 HA LYS 18 HA LYS 18 -6.970 0.674 -7.855 132 HB2 LYS 18 2HB LYS 18 -7.176 -2.352 -7.808 133 HB3 LYS 18 3HB LYS 18 -8.306 -1.405 -6.855 134 HG2 LYS 18 2HG LYS 18 -9.376 -1.978 -8.922 135 HG3 LYS 18 3HG LYS 18 -9.040 -0.245 -8.956 136 HD2 LYS 18 2HD LYS 18 -7.085 -0.638 -10.395 137 HD3 LYS 18 3HD LYS 18 -7.356 -2.381 -10.306 138 HE2 LYS 18 2HE LYS 18 -9.251 -0.366 -11.558 139 HE3 LYS 18 3HE LYS 18 -8.150 -1.425 -12.438 140 HZ1 LYS 18 3HZ LYS 18 -10.395 -2.319 -10.715 141 HZ2 LYS 18 1HZ LYS 18 -9.338 -3.334 -11.553 142 HZ3 LYS 18 2HZ LYS 18 -10.383 -2.316 -12.403 143 H ALA 19 H ALA 19 -5.126 -1.905 -6.185 144 HA ALA 19 HA ALA 19 -5.616 -1.153 -3.510 145 HB1 ALA 19 3HB ALA 19 -3.604 -2.481 -2.973 146 HB2 ALA 19 1HB ALA 19 -3.151 -2.496 -4.684 147 HB3 ALA 19 2HB ALA 19 -4.618 -3.317 -4.150 148 H LEU 20 H LEU 20 -3.025 -0.256 -5.739 149 HA LEU 20 HA LEU 20 -1.428 1.394 -4.180 150 HB2 LEU 20 2HB LEU 20 -0.763 0.612 -6.399 151 HB3 LEU 20 3HB LEU 20 -2.057 1.523 -7.150 152 HG LEU 20 HG LEU 20 -0.930 3.647 -6.519 153 HD11 LEU 20 1HD1 LEU 20 1.332 1.923 -5.466 154 HD12 LEU 20 2HD1 LEU 20 0.264 2.952 -4.508 155 HD13 LEU 20 3HD1 LEU 20 1.364 3.676 -5.674 156 HD21 LEU 20 3HD2 LEU 20 0.892 3.516 -8.151 157 HD22 LEU 20 1HD2 LEU 20 -0.538 2.660 -8.727 158 HD23 LEU 20 2HD2 LEU 20 0.841 1.752 -8.100 159 H LYS 21 H LYS 21 -4.250 2.241 -6.178 160 HA LYS 21 HA LYS 21 -4.230 5.028 -5.871 161 HB2 LYS 21 2HB LYS 21 -5.632 3.761 -7.519 162 HB3 LYS 21 3HB LYS 21 -6.638 3.184 -6.196 163 HG2 LYS 21 2HG LYS 21 -7.104 5.689 -5.698 164 HG3 LYS 21 3HG LYS 21 -6.407 6.001 -7.288 165 HD2 LYS 21 2HD LYS 21 -8.853 5.878 -7.453 166 HD3 LYS 21 3HD LYS 21 -8.135 4.516 -8.318 167 HE2 LYS 21 2HE LYS 21 -8.629 3.021 -6.455 168 HE3 LYS 21 3HE LYS 21 -9.223 4.369 -5.481 169 HZ1 LYS 21 3HZ LYS 21 -11.037 3.109 -6.459 170 HZ2 LYS 21 1HZ LYS 21 -10.444 3.397 -8.015 171 HZ3 LYS 21 2HZ LYS 21 -11.017 4.680 -7.076 172 H GLU 22 H GLU 22 -5.581 2.462 -3.843 173 HA GLU 22 HA GLU 22 -6.832 4.202 -1.933 174 HB2 GLU 22 2HB GLU 22 -6.128 1.248 -1.755 175 HB3 GLU 22 3HB GLU 22 -7.058 2.121 -0.543 176 HG2 GLU 22 2HG GLU 22 -7.861 1.645 -3.423 177 HG3 GLU 22 3HG GLU 22 -8.534 0.853 -2.000 178 H MET 23 H MET 23 -3.669 2.472 -2.012 179 HA MET 23 HA MET 23 -2.751 3.218 0.533 180 HB2 MET 23 2HB MET 23 -1.175 2.767 -2.034 181 HB3 MET 23 3HB MET 23 -0.453 2.867 -0.434 182 HG2 MET 23 2HG MET 23 -2.566 0.799 -0.960 183 HG3 MET 23 3HG MET 23 -0.930 0.539 -1.542 184 HE1 MET 23 3HE MET 23 -2.269 0.460 2.869 185 HE2 MET 23 1HE MET 23 -3.331 0.306 1.470 186 HE3 MET 23 2HE MET 23 -2.616 1.869 1.867 187 H ILE 24 H ILE 24 -2.645 4.937 -2.558 188 HA ILE 24 HA ILE 24 -1.173 7.227 -1.715 189 HB ILE 24 HB ILE 24 -3.143 6.899 -4.042 190 HG12 ILE 24 2HG1 ILE 24 -0.082 6.797 -4.068 191 HG13 ILE 24 3HG1 ILE 24 -1.132 5.391 -4.154 192 HG21 ILE 24 1HG2 ILE 24 -2.894 9.279 -3.473 193 HG22 ILE 24 2HG2 ILE 24 -2.121 8.932 -5.019 194 HG23 ILE 24 3HG2 ILE 24 -1.137 9.137 -3.569 195 HD11 ILE 24 3HD1 ILE 24 -0.269 5.964 -6.332 196 HD12 ILE 24 1HD1 ILE 24 -0.950 7.587 -6.207 197 HD13 ILE 24 2HD1 ILE 24 -2.018 6.183 -6.289 198 H ARG 25 H ARG 25 -4.646 6.452 -1.982 199 HA ARG 25 HA ARG 25 -5.900 8.807 -1.243 200 HB2 ARG 25 2HB ARG 25 -7.140 6.804 -1.976 201 HB3 ARG 25 3HB ARG 25 -6.648 5.926 -0.525 202 HG2 ARG 25 2HG ARG 25 -7.987 7.534 0.847 203 HG3 ARG 25 3HG ARG 25 -8.543 8.304 -0.640 204 HD2 ARG 25 2HD ARG 25 -9.593 6.194 -1.360 205 HD3 ARG 25 3HD ARG 25 -8.997 5.389 0.098 206 HE ARG 25 HE ARG 25 -10.513 7.621 0.863 207 HH11 ARG 25 1HH1 ARG 25 -11.064 4.479 -0.646 208 HH12 ARG 25 2HH1 ARG 25 -12.693 4.354 -0.050 209 HH21 ARG 25 1HH2 ARG 25 -12.610 7.429 1.654 210 HH22 ARG 25 2HH2 ARG 25 -13.571 6.039 1.262 211 H GLN 26 H GLN 26 -4.572 6.249 0.873 212 HA GLN 26 HA GLN 26 -5.402 7.490 3.319 213 HB2 GLN 26 2HB GLN 26 -3.183 5.430 3.157 214 HB3 GLN 26 3HB GLN 26 -4.287 5.747 4.486 215 HG2 GLN 26 2HG GLN 26 -4.896 4.351 1.882 216 HG3 GLN 26 3HG GLN 26 -4.867 3.652 3.485 217 HE21 GLN 26 1HE2 GLN 26 -6.950 2.812 3.004 218 HE22 GLN 26 2HE2 GLN 26 -8.367 3.777 3.140 219 H ALA 27 H ALA 27 -2.347 7.330 1.515 220 HA ALA 27 HA ALA 27 -0.737 8.792 3.331 221 HB1 ALA 27 3HB ALA 27 0.837 9.012 1.455 222 HB2 ALA 27 1HB ALA 27 -0.423 8.479 0.329 223 HB3 ALA 27 2HB ALA 27 0.193 7.374 1.556 224 H ARG 28 H ARG 28 -3.172 9.866 1.083 225 HA ARG 28 HA ARG 28 -2.253 12.645 1.034 226 HB2 ARG 28 2HB ARG 28 -4.728 11.319 -0.151 227 HB3 ARG 28 3HB ARG 28 -4.358 13.034 -0.307 228 HG2 ARG 28 2HG ARG 28 -2.217 12.403 -1.479 229 HG3 ARG 28 3HG ARG 28 -2.751 10.725 -1.432 230 HD2 ARG 28 2HD ARG 28 -3.254 11.728 -3.608 231 HD3 ARG 28 3HD ARG 28 -4.747 11.313 -2.762 232 HE ARG 28 HE ARG 28 -4.479 13.880 -2.064 233 HH11 ARG 28 1HH1 ARG 28 -4.189 12.394 -5.250 234 HH12 ARG 28 2HH1 ARG 28 -4.720 13.818 -6.090 235 HH21 ARG 28 1HH2 ARG 28 -5.163 15.739 -3.188 236 HH22 ARG 28 2HH2 ARG 28 -5.268 15.709 -4.919 237 H LYS 29 H LYS 29 -5.017 10.796 2.383 238 HA LYS 29 HA LYS 29 -6.297 13.065 3.578 239 HB2 LYS 29 2HB LYS 29 -7.805 11.460 4.634 240 HB3 LYS 29 3HB LYS 29 -7.539 11.011 2.952 241 HG2 LYS 29 2HG LYS 29 -5.899 9.304 3.682 242 HG3 LYS 29 3HG LYS 29 -6.225 9.717 5.363 243 HD2 LYS 29 2HD LYS 29 -8.275 8.631 3.396 244 HD3 LYS 29 3HD LYS 29 -7.428 7.674 4.610 245 HE2 LYS 29 2HE LYS 29 -8.472 9.009 6.399 246 HE3 LYS 29 3HE LYS 29 -9.321 9.973 5.182 247 HZ1 LYS 29 3HZ LYS 29 -10.709 8.194 6.113 248 HZ2 LYS 29 1HZ LYS 29 -9.626 7.037 5.534 249 HZ3 LYS 29 2HZ LYS 29 -10.484 8.004 4.450 250 H PHE 30 H PHE 30 -3.865 10.798 4.678 251 HA PHE 30 HA PHE 30 -3.855 11.818 7.426 252 HB2 PHE 30 2HB PHE 30 -2.017 9.784 6.081 253 HB3 PHE 30 3HB PHE 30 -1.998 10.195 7.793 254 HD1 PHE 30 HD1 PHE 30 -4.947 10.222 8.406 255 HD2 PHE 30 HD2 PHE 30 -2.617 7.490 6.079 256 HE1 PHE 30 HE1 PHE 30 -6.571 8.428 8.866 257 HE2 PHE 30 HE2 PHE 30 -4.257 5.708 6.546 258 HZ PHE 30 HZ PHE 30 -6.223 6.174 7.933 259 H ALA 31 H ALA 31 -2.307 12.334 4.385 260 HA ALA 31 HA ALA 31 -1.058 13.997 3.572 261 HB1 ALA 31 3HB ALA 31 -2.464 15.491 4.910 262 HB2 ALA 31 1HB ALA 31 -0.813 16.101 4.788 263 HB3 ALA 31 2HB ALA 31 -1.360 15.326 6.275 264 H GLY 32 H GLY 32 0.521 12.295 3.517 265 HA2 GLY 32 2HA GLY 32 3.035 13.117 4.840 266 HA3 GLY 32 3HA GLY 32 2.565 11.417 4.743 267 H THR 33 H THR 33 4.457 10.978 3.493 268 HA THR 33 HA THR 33 4.566 12.011 0.736 269 HB THR 33 HB THR 33 6.723 10.501 2.322 270 HG1 THR 33 HG1 THR 33 5.954 13.070 2.504 271 HG21 THR 33 3HG2 THR 33 8.266 11.283 0.560 272 HG22 THR 33 1HG2 THR 33 6.931 12.069 -0.285 273 HG23 THR 33 2HG2 THR 33 6.977 10.309 -0.149 274 H VAL 34 H VAL 34 4.175 10.553 -0.925 275 HA VAL 34 HA VAL 34 4.082 7.660 -0.380 276 HB VAL 34 HB VAL 34 1.759 8.451 -0.497 277 HG11 VAL 34 1HG1 VAL 34 0.760 9.478 -2.496 278 HG12 VAL 34 2HG1 VAL 34 2.356 9.582 -3.245 279 HG13 VAL 34 3HG1 VAL 34 2.007 10.508 -1.784 280 HG21 VAL 34 3HG2 VAL 34 2.204 6.223 -1.394 281 HG22 VAL 34 1HG2 VAL 34 2.513 6.900 -2.997 282 HG23 VAL 34 2HG2 VAL 34 0.895 6.992 -2.293 283 H THR 35 H THR 35 5.352 6.562 -1.740 284 HA THR 35 HA THR 35 6.028 7.552 -4.432 285 HB THR 35 HB THR 35 8.170 6.700 -2.398 286 HG1 THR 35 HG1 THR 35 7.063 9.167 -2.960 287 HG21 THR 35 3HG2 THR 35 9.788 7.504 -4.080 288 HG22 THR 35 1HG2 THR 35 8.467 7.882 -5.190 289 HG23 THR 35 2HG2 THR 35 8.798 6.206 -4.745 290 H TYR 36 H TYR 36 6.370 5.788 -5.867 291 HA TYR 36 HA TYR 36 6.372 3.067 -4.786 292 HB2 TYR 36 2HB TYR 36 4.395 2.375 -6.040 293 HB3 TYR 36 3HB TYR 36 3.983 3.676 -4.939 294 HD1 TYR 36 HD2 TYR 36 3.313 5.903 -5.820 295 HD2 TYR 36 HD1 TYR 36 4.272 2.701 -8.491 296 HE1 TYR 36 HE2 TYR 36 2.246 7.114 -7.673 297 HE2 TYR 36 HE1 TYR 36 3.196 3.916 -10.334 298 HH TYR 36 HH TYR 36 1.461 5.673 -10.607 299 H THR 37 H THR 37 6.872 1.435 -6.273 300 HA THR 37 HA THR 37 7.894 2.236 -8.935 301 HB THR 37 HB THR 37 9.053 0.070 -7.115 302 HG1 THR 37 HG1 THR 37 10.146 2.626 -7.810 303 HG21 THR 37 3HG2 THR 37 10.084 1.152 -9.776 304 HG22 THR 37 1HG2 THR 37 9.347 -0.436 -9.530 305 HG23 THR 37 2HG2 THR 37 10.889 -0.051 -8.769 306 H LEU 38 H LEU 38 6.424 1.446 -10.356 307 HA LEU 38 HA LEU 38 5.243 -1.231 -10.077 308 HB2 LEU 38 2HB LEU 38 4.976 0.966 -12.174 309 HB3 LEU 38 3HB LEU 38 4.241 -0.618 -12.374 310 HG LEU 38 HG LEU 38 3.603 1.278 -10.079 311 HD11 LEU 38 1HD1 LEU 38 1.484 1.746 -11.216 312 HD12 LEU 38 2HD1 LEU 38 1.985 0.770 -12.599 313 HD13 LEU 38 3HD1 LEU 38 2.855 2.254 -12.201 314 HD21 LEU 38 3HD2 LEU 38 2.250 -1.298 -10.950 315 HD22 LEU 38 1HD2 LEU 38 1.694 -0.220 -9.666 316 HD23 LEU 38 2HD2 LEU 38 3.233 -1.065 -9.497 317 H ASP 39 H ASP 39 6.516 -2.894 -10.589 318 HA ASP 39 HA ASP 39 8.297 -2.854 -12.931 319 HB2 ASP 39 2HB ASP 39 9.690 -2.113 -11.002 320 HB3 ASP 39 3HB ASP 39 9.219 -3.542 -10.095 321 H GLY 40 H GLY 40 7.133 -4.392 -13.984 322 HA2 GLY 40 2HA GLY 40 6.386 -6.459 -14.619 323 HA3 GLY 40 3HA GLY 40 7.229 -7.147 -13.238 324 H ASN 41 H ASN 41 5.807 -8.301 -12.074 325 HA ASN 41 HA ASN 41 3.049 -7.349 -11.634 326 HB2 ASN 41 2HB ASN 41 4.389 -10.016 -10.989 327 HB3 ASN 41 3HB ASN 41 2.712 -9.622 -10.604 328 HD21 ASN 41 1HD2 ASN 41 1.210 -9.372 -12.346 329 HD22 ASN 41 2HD2 ASN 41 1.536 -10.047 -13.901 330 H ASP 42 H ASP 42 5.816 -6.542 -10.340 331 HA ASP 42 HA ASP 42 5.120 -6.798 -7.484 332 HB2 ASP 42 2HB ASP 42 7.744 -6.020 -8.850 333 HB3 ASP 42 3HB ASP 42 7.507 -6.111 -7.110 334 H LEU 43 H LEU 43 4.493 -5.036 -6.401 335 HA LEU 43 HA LEU 43 4.965 -2.298 -7.441 336 HB2 LEU 43 2HB LEU 43 2.590 -2.725 -7.604 337 HB3 LEU 43 3HB LEU 43 2.552 -3.516 -6.037 338 HG LEU 43 HG LEU 43 2.942 -1.326 -4.919 339 HD11 LEU 43 1HD1 LEU 43 2.747 0.789 -6.116 340 HD12 LEU 43 2HD1 LEU 43 2.691 -0.064 -7.657 341 HD13 LEU 43 3HD1 LEU 43 4.151 -0.124 -6.667 342 HD21 LEU 43 3HD2 LEU 43 0.700 -0.413 -5.275 343 HD22 LEU 43 1HD2 LEU 43 0.671 -2.175 -5.202 344 HD23 LEU 43 2HD2 LEU 43 0.537 -1.354 -6.760 345 H GLU 44 H GLU 44 6.721 -1.668 -6.191 346 HA GLU 44 HA GLU 44 6.760 -2.040 -3.291 347 HB2 GLU 44 2HB GLU 44 8.887 -2.077 -4.594 348 HB3 GLU 44 3HB GLU 44 8.592 -0.431 -5.141 349 HG2 GLU 44 2HG GLU 44 8.778 0.392 -2.834 350 HG3 GLU 44 3HG GLU 44 9.030 -1.253 -2.247 351 H ILE 45 H ILE 45 6.324 -0.443 -1.852 352 HA ILE 45 HA ILE 45 5.701 2.334 -2.696 353 HB ILE 45 HB ILE 45 3.906 0.761 -0.750 354 HG12 ILE 45 2HG1 ILE 45 3.190 1.662 -3.588 355 HG13 ILE 45 3HG1 ILE 45 3.587 0.011 -3.131 356 HG21 ILE 45 1HG2 ILE 45 2.437 2.754 -0.790 357 HG22 ILE 45 2HG2 ILE 45 3.580 3.588 -1.844 358 HG23 ILE 45 3HG2 ILE 45 4.052 3.155 -0.200 359 HD11 ILE 45 3HD1 ILE 45 1.630 -0.066 -1.681 360 HD12 ILE 45 1HD1 ILE 45 1.211 0.298 -3.354 361 HD13 ILE 45 2HD1 ILE 45 1.217 1.586 -2.150 362 H ARG 46 H ARG 46 6.582 3.795 -1.258 363 HA ARG 46 HA ARG 46 7.129 2.959 1.522 364 HB2 ARG 46 2HB ARG 46 8.861 4.859 -0.128 365 HB3 ARG 46 3HB ARG 46 9.086 4.469 1.564 366 HG2 ARG 46 2HG ARG 46 10.644 3.013 0.770 367 HG3 ARG 46 3HG ARG 46 9.252 1.959 0.504 368 HD2 ARG 46 2HD ARG 46 10.724 2.057 -1.471 369 HD3 ARG 46 3HD ARG 46 9.125 2.712 -1.840 370 HE ARG 46 HE ARG 46 10.238 4.975 -1.387 371 HH11 ARG 46 1HH1 ARG 46 12.020 2.289 -2.837 372 HH12 ARG 46 2HH1 ARG 46 13.134 3.341 -3.657 373 HH21 ARG 46 1HH2 ARG 46 11.716 6.301 -2.456 374 HH22 ARG 46 2HH2 ARG 46 12.959 5.601 -3.442 375 H ILE 47 H ILE 47 5.902 4.077 2.833 376 HA ILE 47 HA ILE 47 4.999 6.825 2.206 377 HB ILE 47 HB ILE 47 3.730 4.803 4.121 378 HG12 ILE 47 2HG1 ILE 47 2.756 5.768 1.386 379 HG13 ILE 47 3HG1 ILE 47 3.412 4.173 1.728 380 HG21 ILE 47 1HG2 ILE 47 2.728 7.563 3.310 381 HG22 ILE 47 2HG2 ILE 47 3.384 7.126 4.889 382 HG23 ILE 47 3HG2 ILE 47 1.867 6.414 4.340 383 HD11 ILE 47 3HD1 ILE 47 0.829 5.308 2.795 384 HD12 ILE 47 1HD1 ILE 47 1.499 3.728 3.212 385 HD13 ILE 47 2HD1 ILE 47 1.021 4.072 1.551 386 H THR 48 H THR 48 5.844 8.417 3.417 387 HA THR 48 HA THR 48 7.139 7.849 6.032 388 HB THR 48 HB THR 48 8.231 9.723 3.857 389 HG1 THR 48 HG1 THR 48 8.646 7.006 4.327 390 HG21 THR 48 3HG2 THR 48 9.527 8.753 6.439 391 HG22 THR 48 1HG2 THR 48 8.940 10.391 6.133 392 HG23 THR 48 2HG2 THR 48 10.304 9.754 5.213 393 H GLY 49 H GLY 49 7.295 9.867 7.397 394 HA2 GLY 49 2HA GLY 49 6.726 11.989 8.107 395 HA3 GLY 49 3HA GLY 49 5.999 12.311 6.543 396 H VAL 50 H VAL 50 4.899 9.467 8.042 397 HA VAL 50 HA VAL 50 2.422 10.759 9.022 398 HB VAL 50 HB VAL 50 1.291 8.546 8.627 399 HG11 VAL 50 1HG1 VAL 50 1.104 8.748 6.166 400 HG12 VAL 50 2HG1 VAL 50 2.545 9.769 6.135 401 HG13 VAL 50 3HG1 VAL 50 1.085 10.329 6.952 402 HG21 VAL 50 3HG2 VAL 50 3.886 7.749 7.244 403 HG22 VAL 50 1HG2 VAL 50 2.382 6.819 7.225 404 HG23 VAL 50 2HG2 VAL 50 3.251 7.062 8.740 405 HA PRO 51 HA PRO 51 3.474 9.523 13.199 406 HB2 PRO 51 2HB PRO 51 0.571 8.710 13.452 407 HB3 PRO 51 3HB PRO 51 1.543 9.774 14.497 408 HG2 PRO 51 2HG PRO 51 -0.236 10.790 12.816 409 HG3 PRO 51 3HG PRO 51 1.328 11.599 13.069 410 HD2 PRO 51 2HD PRO 51 0.420 9.917 10.746 411 HD3 PRO 51 3HD PRO 51 1.449 11.366 10.753 412 H GLU 52 H GLU 52 3.825 7.768 14.462 413 HA GLU 52 HA GLU 52 4.302 5.299 13.265 414 HB2 GLU 52 2HB GLU 52 5.583 6.203 15.135 415 HB3 GLU 52 3HB GLU 52 4.188 6.076 16.201 416 HG2 GLU 52 2HG GLU 52 4.271 3.666 16.108 417 HG3 GLU 52 3HG GLU 52 5.531 3.707 14.873 418 H GLN 53 H GLN 53 1.549 6.421 15.200 419 HA GLN 53 HA GLN 53 0.259 3.890 15.535 420 HB2 GLN 53 2HB GLN 53 -1.808 5.204 16.010 421 HB3 GLN 53 3HB GLN 53 -0.426 5.773 16.932 422 HG2 GLN 53 2HG GLN 53 -0.221 7.748 15.619 423 HG3 GLN 53 3HG GLN 53 -1.291 7.121 14.367 424 HE21 GLN 53 1HE2 GLN 53 -3.527 7.215 14.682 425 HE22 GLN 53 2HE2 GLN 53 -4.258 8.162 15.931 426 H VAL 54 H VAL 54 0.209 6.328 13.010 427 HA VAL 54 HA VAL 54 -1.989 5.301 11.507 428 HB VAL 54 HB VAL 54 0.206 7.315 10.855 429 HG11 VAL 54 1HG1 VAL 54 -2.236 6.687 9.159 430 HG12 VAL 54 2HG1 VAL 54 -0.552 6.380 8.724 431 HG13 VAL 54 3HG1 VAL 54 -1.126 8.037 8.908 432 HG21 VAL 54 3HG2 VAL 54 -1.575 8.991 11.180 433 HG22 VAL 54 1HG2 VAL 54 -1.351 8.005 12.623 434 HG23 VAL 54 2HG2 VAL 54 -2.727 7.707 11.557 435 H ARG 55 H ARG 55 1.537 4.895 11.341 436 HA ARG 55 HA ARG 55 1.755 3.448 8.945 437 HB2 ARG 55 2HB ARG 55 3.443 3.297 11.477 438 HB3 ARG 55 3HB ARG 55 3.869 2.485 9.970 439 HG2 ARG 55 2HG ARG 55 3.851 4.731 8.840 440 HG3 ARG 55 3HG ARG 55 3.633 5.469 10.428 441 HD2 ARG 55 2HD ARG 55 5.952 3.655 9.709 442 HD3 ARG 55 3HD ARG 55 6.003 5.413 9.588 443 HE ARG 55 HE ARG 55 5.362 5.207 12.116 444 HH11 ARG 55 1HH1 ARG 55 7.692 3.203 10.392 445 HH12 ARG 55 2HH1 ARG 55 8.679 2.941 11.794 446 HH21 ARG 55 1HH2 ARG 55 6.776 5.000 13.891 447 HH22 ARG 55 2HH2 ARG 55 8.153 3.964 13.771 448 H LYS 56 H LYS 56 1.243 2.287 12.265 449 HA LYS 56 HA LYS 56 1.033 -0.447 11.835 450 HB2 LYS 56 2HB LYS 56 -0.557 1.259 13.801 451 HB3 LYS 56 3HB LYS 56 -0.316 -0.482 13.929 452 HG2 LYS 56 2HG LYS 56 2.028 -0.207 14.382 453 HG3 LYS 56 3HG LYS 56 1.968 1.510 13.975 454 HD2 LYS 56 2HD LYS 56 0.451 1.890 15.927 455 HD3 LYS 56 3HD LYS 56 0.607 0.184 16.360 456 HE2 LYS 56 2HE LYS 56 2.851 2.226 16.267 457 HE3 LYS 56 3HE LYS 56 2.096 1.572 17.721 458 HZ1 LYS 56 3HZ LYS 56 3.686 0.058 15.732 459 HZ2 LYS 56 1HZ LYS 56 2.892 -0.635 17.055 460 HZ3 LYS 56 2HZ LYS 56 4.151 0.456 17.299 461 H GLU 57 H GLU 57 -1.361 2.101 11.316 462 HA GLU 57 HA GLU 57 -3.612 0.361 10.885 463 HB2 GLU 57 2HB GLU 57 -3.228 3.320 10.263 464 HB3 GLU 57 3HB GLU 57 -4.764 2.465 10.150 465 HG2 GLU 57 2HG GLU 57 -3.130 2.844 12.667 466 HG3 GLU 57 3HG GLU 57 -4.587 3.733 12.245 467 H LEU 58 H LEU 58 -1.232 1.952 8.814 468 HA LEU 58 HA LEU 58 -2.423 1.336 6.310 469 HB2 LEU 58 2HB LEU 58 0.303 2.236 7.188 470 HB3 LEU 58 3HB LEU 58 0.198 1.485 5.609 471 HG LEU 58 HG LEU 58 0.118 3.905 5.371 472 HD11 LEU 58 1HD1 LEU 58 -1.166 2.603 3.745 473 HD12 LEU 58 2HD1 LEU 58 -1.901 4.178 4.027 474 HD13 LEU 58 3HD1 LEU 58 -2.613 2.735 4.754 475 HD21 LEU 58 3HD2 LEU 58 -1.698 5.299 6.258 476 HD22 LEU 58 1HD2 LEU 58 -0.771 4.548 7.555 477 HD23 LEU 58 2HD2 LEU 58 -2.359 3.910 7.125 478 H ALA 59 H ALA 59 -0.656 -0.635 8.575 479 HA ALA 59 HA ALA 59 -0.033 -2.843 6.924 480 HB1 ALA 59 3HB ALA 59 0.854 -2.571 9.206 481 HB2 ALA 59 1HB ALA 59 0.045 -4.128 9.031 482 HB3 ALA 59 2HB ALA 59 -0.759 -2.805 9.878 483 H LYS 60 H LYS 60 -2.925 -2.066 8.839 484 HA LYS 60 HA LYS 60 -4.437 -4.405 8.198 485 HB2 LYS 60 2HB LYS 60 -5.335 -1.665 9.187 486 HB3 LYS 60 3HB LYS 60 -6.451 -2.997 8.943 487 HG2 LYS 60 2HG LYS 60 -6.014 -2.847 11.282 488 HG3 LYS 60 3HG LYS 60 -5.175 -4.290 10.708 489 HD2 LYS 60 2HD LYS 60 -3.044 -3.134 10.764 490 HD3 LYS 60 3HD LYS 60 -3.834 -1.595 11.110 491 HE2 LYS 60 2HE LYS 60 -3.855 -3.996 12.967 492 HE3 LYS 60 3HE LYS 60 -2.756 -2.625 13.104 493 HZ1 LYS 60 3HZ LYS 60 -4.647 -2.435 14.595 494 HZ2 LYS 60 1HZ LYS 60 -5.720 -2.460 13.286 495 HZ3 LYS 60 2HZ LYS 60 -4.636 -1.175 13.469 496 H GLU 61 H GLU 61 -4.035 -1.207 6.747 497 HA GLU 61 HA GLU 61 -6.121 -1.348 4.820 498 HB2 GLU 61 2HB GLU 61 -3.570 0.323 4.872 499 HB3 GLU 61 3HB GLU 61 -4.865 0.532 3.700 500 HG2 GLU 61 2HG GLU 61 -5.031 0.974 6.684 501 HG3 GLU 61 3HG GLU 61 -5.063 2.210 5.427 502 H ALA 62 H ALA 62 -2.643 -2.045 4.701 503 HA ALA 62 HA ALA 62 -2.337 -2.745 2.039 504 HB1 ALA 62 3HB ALA 62 -0.501 -2.419 3.679 505 HB2 ALA 62 1HB ALA 62 -0.318 -3.916 2.777 506 HB3 ALA 62 2HB ALA 62 -0.910 -3.959 4.439 507 H GLU 63 H GLU 63 -3.258 -4.825 4.791 508 HA GLU 63 HA GLU 63 -3.374 -7.242 3.244 509 HB2 GLU 63 2HB GLU 63 -4.370 -6.665 6.055 510 HB3 GLU 63 3HB GLU 63 -4.233 -8.269 5.335 511 HG2 GLU 63 2HG GLU 63 -1.787 -7.931 5.083 512 HG3 GLU 63 3HG GLU 63 -1.940 -6.354 5.853 513 H ARG 64 H ARG 64 -5.876 -4.886 4.229 514 HA ARG 64 HA ARG 64 -8.083 -6.584 3.495 515 HB2 ARG 64 2HB ARG 64 -9.513 -4.555 3.573 516 HB3 ARG 64 3HB ARG 64 -8.527 -4.726 5.021 517 HG2 ARG 64 2HG ARG 64 -7.006 -3.014 4.261 518 HG3 ARG 64 3HG ARG 64 -7.829 -2.904 2.708 519 HD2 ARG 64 2HD ARG 64 -9.199 -2.282 5.340 520 HD3 ARG 64 3HD ARG 64 -8.340 -1.067 4.393 521 HE ARG 64 HE ARG 64 -10.774 -2.515 3.552 522 HH11 ARG 64 1HH1 ARG 64 -8.596 0.245 3.190 523 HH12 ARG 64 2HH1 ARG 64 -9.644 1.067 2.074 524 HH21 ARG 64 1HH2 ARG 64 -12.121 -1.421 2.109 525 HH22 ARG 64 2HH2 ARG 64 -11.647 0.117 1.464 526 H LEU 65 H LEU 65 -6.073 -4.233 1.764 527 HA LEU 65 HA LEU 65 -7.594 -4.284 -0.686 528 HB2 LEU 65 2HB LEU 65 -4.690 -3.501 -0.214 529 HB3 LEU 65 3HB LEU 65 -5.614 -3.158 -1.671 530 HG LEU 65 HG LEU 65 -6.220 -2.038 1.088 531 HD11 LEU 65 1HD1 LEU 65 -4.979 -0.659 -1.306 532 HD12 LEU 65 2HD1 LEU 65 -4.158 -1.111 0.190 533 HD13 LEU 65 3HD1 LEU 65 -5.428 0.108 0.221 534 HD21 LEU 65 3HD2 LEU 65 -7.849 -0.576 -0.047 535 HD22 LEU 65 1HD2 LEU 65 -8.274 -2.281 -0.193 536 HD23 LEU 65 2HD2 LEU 65 -7.563 -1.431 -1.565 537 H ALA 66 H ALA 66 -4.892 -6.133 0.628 538 HA ALA 66 HA ALA 66 -4.144 -7.640 -1.604 539 HB1 ALA 66 3HB ALA 66 -4.191 -8.552 1.288 540 HB2 ALA 66 1HB ALA 66 -2.896 -7.632 0.523 541 HB3 ALA 66 2HB ALA 66 -3.246 -9.274 -0.019 542 H LYS 67 H LYS 67 -6.597 -8.427 0.890 543 HA LYS 67 HA LYS 67 -7.333 -10.923 -0.346 544 HB2 LYS 67 2HB LYS 67 -9.044 -11.091 1.415 545 HB3 LYS 67 3HB LYS 67 -7.487 -10.638 2.097 546 HG2 LYS 67 2HG LYS 67 -8.219 -8.298 2.272 547 HG3 LYS 67 3HG LYS 67 -9.777 -8.718 1.563 548 HD2 LYS 67 2HD LYS 67 -8.711 -9.816 4.197 549 HD3 LYS 67 3HD LYS 67 -9.861 -8.491 4.047 550 HE2 LYS 67 2HE LYS 67 -11.480 -10.020 2.971 551 HE3 LYS 67 3HE LYS 67 -10.330 -11.350 3.138 552 HZ1 LYS 67 3HZ LYS 67 -11.996 -11.355 4.904 553 HZ2 LYS 67 1HZ LYS 67 -11.518 -9.808 5.387 554 HZ3 LYS 67 2HZ LYS 67 -10.451 -11.111 5.541 555 H GLU 68 H GLU 68 -8.441 -7.627 -0.584 556 HA GLU 68 HA GLU 68 -11.054 -8.087 -1.638 557 HB2 GLU 68 2HB GLU 68 -10.307 -5.930 -0.613 558 HB3 GLU 68 3HB GLU 68 -9.200 -5.674 -1.954 559 HG2 GLU 68 2HG GLU 68 -11.153 -4.285 -2.243 560 HG3 GLU 68 3HG GLU 68 -11.136 -5.523 -3.496 561 H PHE 69 H PHE 69 -7.950 -7.176 -3.187 562 HA PHE 69 HA PHE 69 -9.145 -7.398 -5.856 563 HB2 PHE 69 2HB PHE 69 -6.416 -6.334 -4.997 564 HB3 PHE 69 3HB PHE 69 -7.092 -6.227 -6.618 565 HD1 PHE 69 HD1 PHE 69 -9.639 -5.156 -6.575 566 HD2 PHE 69 HD2 PHE 69 -6.517 -4.330 -3.774 567 HE1 PHE 69 HE1 PHE 69 -10.719 -3.023 -5.990 568 HE2 PHE 69 HE2 PHE 69 -7.605 -2.198 -3.200 569 HZ PHE 69 HZ PHE 69 -9.701 -1.546 -4.304 570 H ASN 70 H ASN 70 -7.861 -9.631 -3.914 571 HA ASN 70 HA ASN 70 -6.955 -11.683 -4.131 572 HB2 ASN 70 2HB ASN 70 -8.780 -11.842 -5.885 573 HB3 ASN 70 3HB ASN 70 -7.591 -11.429 -7.114 574 HD21 ASN 70 1HD2 ASN 70 -6.014 -13.001 -7.671 575 HD22 ASN 70 2HD2 ASN 70 -6.219 -14.669 -7.272 576 H ILE 71 H ILE 71 -5.133 -9.919 -3.789 577 HA ILE 71 HA ILE 71 -2.815 -10.740 -5.426 578 HB ILE 71 HB ILE 71 -1.844 -8.423 -5.158 579 HG12 ILE 71 2HG1 ILE 71 -4.630 -7.726 -4.121 580 HG13 ILE 71 3HG1 ILE 71 -3.118 -7.606 -3.230 581 HG21 ILE 71 1HG2 ILE 71 -2.927 -9.049 -7.292 582 HG22 ILE 71 2HG2 ILE 71 -3.118 -7.330 -6.949 583 HG23 ILE 71 3HG2 ILE 71 -4.471 -8.434 -6.692 584 HD11 ILE 71 3HD1 ILE 71 -2.395 -5.806 -4.765 585 HD12 ILE 71 1HD1 ILE 71 -3.873 -5.421 -3.882 586 HD13 ILE 71 2HD1 ILE 71 -3.962 -5.902 -5.575 587 H THR 72 H THR 72 -0.788 -10.660 -4.236 588 HA THR 72 HA THR 72 -1.030 -11.246 -1.382 589 HB THR 72 HB THR 72 1.525 -11.700 -1.666 590 HG1 THR 72 HG1 THR 72 1.454 -10.506 -3.791 591 HG21 THR 72 3HG2 THR 72 -0.111 -13.558 -1.553 592 HG22 THR 72 1HG2 THR 72 1.180 -13.911 -2.702 593 HG23 THR 72 2HG2 THR 72 -0.406 -13.409 -3.288 594 H VAL 73 H VAL 73 0.140 -10.105 0.244 595 HA VAL 73 HA VAL 73 1.512 -7.610 -0.527 596 HB VAL 73 HB VAL 73 -0.888 -7.149 0.238 597 HG11 VAL 73 1HG1 VAL 73 -1.081 -8.824 2.019 598 HG12 VAL 73 2HG1 VAL 73 -1.413 -7.208 2.640 599 HG13 VAL 73 3HG1 VAL 73 0.138 -7.980 2.977 600 HG21 VAL 73 3HG2 VAL 73 0.865 -5.422 0.235 601 HG22 VAL 73 1HG2 VAL 73 1.309 -5.855 1.889 602 HG23 VAL 73 2HG2 VAL 73 -0.288 -5.183 1.544 603 H THR 74 H THR 74 3.120 -6.953 0.855 604 HA THR 74 HA THR 74 3.526 -8.135 3.477 605 HB THR 74 HB THR 74 5.018 -9.511 2.035 606 HG1 THR 74 HG1 THR 74 7.079 -8.355 3.142 607 HG21 THR 74 3HG2 THR 74 5.434 -7.893 0.193 608 HG22 THR 74 1HG2 THR 74 6.942 -8.526 0.858 609 HG23 THR 74 2HG2 THR 74 6.401 -6.904 1.286 610 H TYR 75 H TYR 75 4.691 -6.665 4.839 611 HA TYR 75 HA TYR 75 5.457 -4.035 3.825 612 HB2 TYR 75 2HB TYR 75 3.964 -2.920 5.602 613 HB3 TYR 75 3HB TYR 75 3.116 -3.584 4.208 614 HD1 TYR 75 HD1 TYR 75 3.855 -4.152 7.833 615 HD2 TYR 75 HD2 TYR 75 1.555 -5.422 4.455 616 HE1 TYR 75 HE1 TYR 75 2.488 -5.581 9.292 617 HE2 TYR 75 HE2 TYR 75 0.195 -6.834 5.920 618 HH TYR 75 HH TYR 75 0.247 -7.887 8.023 619 H THR 76 H THR 76 6.589 -2.781 5.445 620 HA THR 76 HA THR 76 7.487 -4.243 7.851 621 HB THR 76 HB THR 76 9.314 -2.640 6.001 622 HG1 THR 76 HG1 THR 76 8.646 -5.358 6.190 623 HG21 THR 76 3HG2 THR 76 11.150 -3.581 7.384 624 HG22 THR 76 1HG2 THR 76 9.966 -4.341 8.448 625 HG23 THR 76 2HG2 THR 76 10.076 -2.581 8.363 626 H ILE 77 H ILE 77 7.229 -3.118 9.615 627 HA ILE 77 HA ILE 77 7.397 -0.169 9.654 628 HB ILE 77 HB ILE 77 5.703 -0.248 11.614 629 HG12 ILE 77 2HG1 ILE 77 5.101 -2.989 10.407 630 HG13 ILE 77 3HG1 ILE 77 5.613 -2.649 12.056 631 HG21 ILE 77 1HG2 ILE 77 5.154 0.735 9.431 632 HG22 ILE 77 2HG2 ILE 77 3.749 -0.042 10.158 633 HG23 ILE 77 3HG2 ILE 77 4.619 -0.842 8.846 634 HD11 ILE 77 3HD1 ILE 77 3.265 -3.189 12.011 635 HD12 ILE 77 1HD1 ILE 77 2.955 -1.920 10.823 636 HD13 ILE 77 2HD1 ILE 77 3.464 -1.494 12.460 637 H ARG 78 H ARG 78 9.199 0.270 10.745 638 HA ARG 78 HA ARG 78 9.727 -1.121 13.311 639 HB2 ARG 78 2HB ARG 78 11.688 0.059 11.312 640 HB3 ARG 78 3HB ARG 78 12.144 -0.328 12.970 641 HG2 ARG 78 2HG ARG 78 11.575 -2.704 12.576 642 HG3 ARG 78 3HG ARG 78 11.100 -2.319 10.922 643 HD2 ARG 78 2HD ARG 78 13.887 -1.894 12.042 644 HD3 ARG 78 3HD ARG 78 13.391 -3.314 11.118 645 HE ARG 78 HE ARG 78 12.841 -1.682 9.273 646 HH11 ARG 78 1HH1 ARG 78 15.391 -0.931 11.593 647 HH12 ARG 78 2HH1 ARG 78 16.238 0.093 10.479 648 HH21 ARG 78 1HH2 ARG 78 13.991 -0.349 7.854 649 HH22 ARG 78 2HH2 ARG 78 15.456 0.420 8.384 650 H GLY 79 H GLY 79 9.019 0.117 14.852 651 HA2 GLY 79 2HA GLY 79 9.714 2.971 14.989 652 HA3 GLY 79 3HA GLY 79 8.002 2.548 14.993 653 H SER 80 H SER 80 10.662 3.098 16.896 654 HA SER 80 HA SER 80 11.118 3.050 19.102 655 HB2 SER 80 2HB SER 80 8.160 2.392 19.452 656 HB3 SER 80 3HB SER 80 9.244 2.984 20.718 657 HG SER 80 HG SER 80 8.208 4.328 18.466 658 H LEU 81 H LEU 81 10.955 0.447 17.428 659 HA LEU 81 HA LEU 81 10.521 -1.705 19.242 660 HB2 LEU 81 2HB LEU 81 12.121 -1.677 16.650 661 HB3 LEU 81 3HB LEU 81 11.592 -3.115 17.508 662 HG LEU 81 HG LEU 81 9.836 -1.107 16.050 663 HD11 LEU 81 1HD1 LEU 81 10.971 -2.707 14.593 664 HD12 LEU 81 2HD1 LEU 81 9.238 -3.015 14.622 665 HD13 LEU 81 3HD1 LEU 81 10.334 -4.059 15.534 666 HD21 LEU 81 3HD2 LEU 81 8.665 -1.739 18.092 667 HD22 LEU 81 1HD2 LEU 81 8.934 -3.453 17.760 668 HD23 LEU 81 2HD2 LEU 81 7.895 -2.494 16.701 669 H GLU 82 H GLU 82 13.259 0.261 18.353 670 HA GLU 82 HA GLU 82 15.194 -1.266 19.901 671 HB2 GLU 82 2HB GLU 82 15.495 1.358 18.379 672 HB3 GLU 82 3HB GLU 82 16.811 0.445 19.108 673 HG2 GLU 82 2HG GLU 82 15.066 -0.420 16.790 674 HG3 GLU 82 3HG GLU 82 16.772 0.018 16.728 675 H HIS 83 H HIS 83 12.820 0.163 21.181 676 HA HIS 83 HA HIS 83 13.838 2.093 22.993 677 HB2 HIS 83 2HB HIS 83 11.384 1.628 22.669 678 HB3 HIS 83 3HB HIS 83 11.593 0.070 23.459 679 HD1 HIS 83 HD1 HIS 83 11.336 3.738 24.174 680 HD2 HIS 83 HD2 HIS 83 11.857 0.197 26.296 681 HE1 HIS 83 HE1 HIS 83 10.938 4.325 26.583 682 HE2 HIS 83 HE2 HIS 83 11.126 2.151 27.823 683 H HIS 84 H HIS 84 15.789 1.513 23.769 684 HA HIS 84 HA HIS 84 16.547 -1.051 24.701 685 HB2 HIS 84 2HB HIS 84 17.827 1.676 25.151 686 HB3 HIS 84 3HB HIS 84 18.578 0.145 25.599 687 HD1 HIS 84 HD1 HIS 84 18.379 2.500 22.861 688 HD2 HIS 84 HD2 HIS 84 18.968 -1.601 23.204 689 HE1 HIS 84 HE1 HIS 84 19.388 1.778 20.678 690 HE2 HIS 84 HE2 HIS 84 19.911 -0.663 20.986 691 H HIS 85 H HIS 85 16.739 -1.851 26.739 692 HA HIS 85 HA HIS 85 15.037 -0.612 28.808 693 HB2 HIS 85 2HB HIS 85 14.869 -2.931 29.746 694 HB3 HIS 85 3HB HIS 85 14.262 -2.817 28.095 695 HD1 HIS 85 HD1 HIS 85 17.146 -4.180 30.088 696 HD2 HIS 85 HD2 HIS 85 15.640 -4.359 26.222 697 HE1 HIS 85 HE1 HIS 85 18.503 -5.926 28.918 698 HE2 HIS 85 HE2 HIS 85 17.455 -6.142 26.643 699 H HIS 86 H HIS 86 15.693 -1.082 31.062 700 HA HIS 86 HA HIS 86 18.326 -0.134 31.627 701 HB2 HIS 86 2HB HIS 86 17.592 -0.413 34.043 702 HB3 HIS 86 3HB HIS 86 16.525 0.577 33.059 703 HD1 HIS 86 HD1 HIS 86 14.127 0.078 33.387 704 HD2 HIS 86 HD2 HIS 86 16.477 -3.252 34.181 705 HE1 HIS 86 HE1 HIS 86 12.534 -1.706 34.166 706 HE2 HIS 86 HE2 HIS 86 13.960 -3.751 34.460 707 H HIS 87 H HIS 87 19.591 -1.224 33.499 708 HA HIS 87 HA HIS 87 20.617 -3.744 32.653 709 HB2 HIS 87 2HB HIS 87 22.025 -2.079 33.838 710 HB3 HIS 87 3HB HIS 87 21.036 -2.234 35.286 711 HD1 HIS 87 HD1 HIS 87 21.808 -3.937 36.952 712 HD2 HIS 87 HD2 HIS 87 23.467 -4.570 33.197 713 HE1 HIS 87 HE1 HIS 87 23.477 -5.786 37.257 714 HE2 HIS 87 HE2 HIS 87 24.606 -6.002 35.025 715 H HIS 88 H HIS 88 20.195 -5.767 33.371 716 HA HIS 88 HA HIS 88 17.823 -6.394 34.826 717 HB2 HIS 88 2HB HIS 88 20.139 -8.140 33.860 718 HB3 HIS 88 3HB HIS 88 18.741 -8.793 34.710 719 HD1 HIS 88 HD1 HIS 88 17.203 -9.828 33.122 720 HD2 HIS 88 HD2 HIS 88 18.966 -6.440 31.488 721 HE1 HIS 88 HE1 HIS 88 16.202 -9.588 30.839 722 HE2 HIS 88 HE2 HIS 88 17.453 -7.685 29.799 Start of MODEL 14 1 H1 MET 1 1H MET 1 10.659 3.667 15.727 2 H2 MET 1 2H MET 1 9.065 3.674 15.172 3 H3 MET 1 3H MET 1 9.520 4.707 16.428 4 HA MET 1 HA MET 1 9.310 5.948 14.398 5 HB2 MET 1 2HB MET 1 12.180 5.541 15.344 6 HB3 MET 1 3HB MET 1 11.715 6.824 14.233 7 HG2 MET 1 2HG MET 1 10.208 7.753 15.954 8 HG3 MET 1 3HG MET 1 10.727 6.488 17.073 9 HE1 MET 1 3HE MET 1 10.880 9.758 17.529 10 HE2 MET 1 1HE MET 1 12.439 9.889 18.342 11 HE3 MET 1 2HE MET 1 11.315 8.609 18.795 12 H GLY 2 H GLY 2 10.985 6.482 12.390 13 HA2 GLY 2 2HA GLY 2 12.242 5.689 10.578 14 HA3 GLY 2 3HA GLY 2 11.835 4.034 11.002 15 H GLU 3 H GLU 3 11.640 4.325 8.508 16 HA GLU 3 HA GLU 3 9.081 5.410 7.574 17 HB2 GLU 3 2HB GLU 3 9.995 4.995 5.319 18 HB3 GLU 3 3HB GLU 3 11.161 5.869 6.308 19 HG2 GLU 3 2HG GLU 3 12.325 3.667 6.761 20 HG3 GLU 3 3HG GLU 3 11.238 2.921 5.597 21 H MET 4 H MET 4 7.810 4.051 5.999 22 HA MET 4 HA MET 4 7.800 1.160 6.687 23 HB2 MET 4 2HB MET 4 5.835 2.319 7.656 24 HB3 MET 4 3HB MET 4 5.400 2.952 6.075 25 HG2 MET 4 2HG MET 4 4.919 0.706 5.283 26 HG3 MET 4 3HG MET 4 5.473 0.015 6.814 27 HE1 MET 4 3HE MET 4 2.764 -0.963 5.883 28 HE2 MET 4 1HE MET 4 1.744 -0.688 7.294 29 HE3 MET 4 2HE MET 4 3.390 -1.280 7.502 30 H ASP 5 H ASP 5 7.745 -0.274 4.967 31 HA ASP 5 HA ASP 5 7.478 0.808 2.231 32 HB2 ASP 5 2HB ASP 5 8.999 -1.734 2.996 33 HB3 ASP 5 3HB ASP 5 9.072 -0.835 1.481 34 H ILE 6 H ILE 6 5.646 0.083 1.343 35 HA ILE 6 HA ILE 6 4.318 -2.396 2.321 36 HB ILE 6 HB ILE 6 3.066 0.127 1.090 37 HG12 ILE 6 2HG1 ILE 6 2.895 -0.892 3.966 38 HG13 ILE 6 3HG1 ILE 6 3.888 0.458 3.431 39 HG21 ILE 6 1HG2 ILE 6 1.802 -1.897 0.467 40 HG22 ILE 6 2HG2 ILE 6 0.875 -0.910 1.594 41 HG23 ILE 6 3HG2 ILE 6 1.684 -2.370 2.165 42 HD11 ILE 6 3HD1 ILE 6 1.917 1.270 4.475 43 HD12 ILE 6 1HD1 ILE 6 0.889 0.316 3.406 44 HD13 ILE 6 2HD1 ILE 6 1.849 1.648 2.755 45 H ARG 7 H ARG 7 4.758 -3.934 0.812 46 HA ARG 7 HA ARG 7 4.826 -3.159 -2.043 47 HB2 ARG 7 2HB ARG 7 7.055 -3.819 -0.937 48 HB3 ARG 7 3HB ARG 7 6.427 -5.462 -0.839 49 HG2 ARG 7 2HG ARG 7 6.306 -5.634 -3.248 50 HG3 ARG 7 3HG ARG 7 6.637 -3.910 -3.438 51 HD2 ARG 7 2HD ARG 7 8.899 -4.413 -2.257 52 HD3 ARG 7 3HD ARG 7 8.546 -6.108 -2.613 53 HE ARG 7 HE ARG 7 8.251 -5.008 -5.039 54 HH11 ARG 7 1HH1 ARG 7 10.864 -4.624 -2.695 55 HH12 ARG 7 2HH1 ARG 7 12.064 -4.317 -3.907 56 HH21 ARG 7 1HH2 ARG 7 9.841 -4.553 -6.612 57 HH22 ARG 7 2HH2 ARG 7 11.489 -4.275 -6.118 58 H PHE 8 H PHE 8 3.459 -4.147 -3.294 59 HA PHE 8 HA PHE 8 1.839 -6.449 -2.383 60 HB2 PHE 8 2HB PHE 8 1.338 -4.322 -4.531 61 HB3 PHE 8 3HB PHE 8 0.307 -5.727 -4.295 62 HD1 PHE 8 HD2 PHE 8 -1.166 -5.891 -2.327 63 HD2 PHE 8 HD1 PHE 8 1.238 -2.405 -2.978 64 HE1 PHE 8 HE2 PHE 8 -2.521 -4.647 -0.698 65 HE2 PHE 8 HE1 PHE 8 -0.128 -1.175 -1.339 66 HZ PHE 8 HZ PHE 8 -2.003 -2.294 -0.203 67 H ARG 9 H ARG 9 1.539 -8.141 -3.913 68 HA ARG 9 HA ARG 9 3.086 -8.135 -6.412 69 HB2 ARG 9 2HB ARG 9 3.202 -10.285 -4.252 70 HB3 ARG 9 3HB ARG 9 3.513 -10.679 -5.929 71 HG2 ARG 9 2HG ARG 9 5.313 -8.805 -5.842 72 HG3 ARG 9 3HG ARG 9 5.129 -8.909 -4.090 73 HD2 ARG 9 2HD ARG 9 7.005 -10.281 -4.828 74 HD3 ARG 9 3HD ARG 9 5.722 -11.321 -4.197 75 HE ARG 9 HE ARG 9 5.896 -10.833 -7.099 76 HH11 ARG 9 1HH1 ARG 9 6.203 -13.153 -4.463 77 HH12 ARG 9 2HH1 ARG 9 6.254 -14.526 -5.527 78 HH21 ARG 9 1HH2 ARG 9 5.955 -12.634 -8.461 79 HH22 ARG 9 2HH2 ARG 9 6.112 -14.225 -7.791 80 H GLY 10 H GLY 10 1.927 -8.912 -8.057 81 HA2 GLY 10 2HA GLY 10 -0.496 -10.496 -7.668 82 HA3 GLY 10 3HA GLY 10 -0.743 -8.843 -8.228 83 H ASP 11 H ASP 11 -0.674 -11.846 -9.305 84 HA ASP 11 HA ASP 11 0.790 -11.938 -11.678 85 HB2 ASP 11 2HB ASP 11 -0.471 -13.843 -10.691 86 HB3 ASP 11 3HB ASP 11 -1.993 -13.065 -11.095 87 H ASP 12 H ASP 12 -2.081 -10.201 -10.854 88 HA ASP 12 HA ASP 12 -2.468 -9.160 -13.591 89 HB2 ASP 12 2HB ASP 12 -4.471 -10.221 -12.687 90 HB3 ASP 12 3HB ASP 12 -4.358 -9.281 -11.204 91 H LEU 13 H LEU 13 -1.496 -7.286 -13.892 92 HA LEU 13 HA LEU 13 -0.476 -5.582 -11.876 93 HB2 LEU 13 2HB LEU 13 0.490 -5.791 -14.170 94 HB3 LEU 13 3HB LEU 13 -0.920 -4.976 -14.824 95 HG LEU 13 HG LEU 13 -0.295 -2.914 -13.518 96 HD11 LEU 13 1HD1 LEU 13 0.993 -3.908 -11.698 97 HD12 LEU 13 2HD1 LEU 13 1.952 -2.699 -12.545 98 HD13 LEU 13 3HD1 LEU 13 2.254 -4.416 -12.828 99 HD21 LEU 13 3HD2 LEU 13 1.853 -3.908 -15.415 100 HD22 LEU 13 1HD2 LEU 13 1.552 -2.226 -14.975 101 HD23 LEU 13 2HD2 LEU 13 0.338 -3.129 -15.876 102 H GLU 14 H GLU 14 -3.586 -5.726 -13.471 103 HA GLU 14 HA GLU 14 -4.434 -3.042 -12.957 104 HB2 GLU 14 2HB GLU 14 -6.048 -5.568 -13.493 105 HB3 GLU 14 3HB GLU 14 -6.794 -3.995 -13.234 106 HG2 GLU 14 2HG GLU 14 -4.901 -4.725 -15.483 107 HG3 GLU 14 3HG GLU 14 -6.644 -4.500 -15.609 108 H ALA 15 H ALA 15 -4.755 -6.094 -11.134 109 HA ALA 15 HA ALA 15 -6.317 -5.166 -8.993 110 HB1 ALA 15 3HB ALA 15 -5.870 -7.533 -9.444 111 HB2 ALA 15 1HB ALA 15 -5.432 -7.129 -7.782 112 HB3 ALA 15 2HB ALA 15 -4.175 -7.316 -9.010 113 H LEU 16 H LEU 16 -2.836 -5.030 -9.564 114 HA LEU 16 HA LEU 16 -2.037 -3.851 -7.095 115 HB2 LEU 16 2HB LEU 16 -0.678 -3.701 -9.820 116 HB3 LEU 16 3HB LEU 16 0.075 -3.315 -8.280 117 HG LEU 16 HG LEU 16 -0.851 -6.077 -9.178 118 HD11 LEU 16 1HD1 LEU 16 1.534 -6.662 -9.201 119 HD12 LEU 16 2HD1 LEU 16 1.958 -5.005 -8.762 120 HD13 LEU 16 3HD1 LEU 16 1.189 -5.338 -10.315 121 HD21 LEU 16 3HD2 LEU 16 0.168 -6.936 -7.109 122 HD22 LEU 16 1HD2 LEU 16 -1.182 -5.855 -6.771 123 HD23 LEU 16 2HD2 LEU 16 0.476 -5.285 -6.568 124 H GLU 17 H GLU 17 -3.215 -2.541 -10.171 125 HA GLU 17 HA GLU 17 -2.652 0.207 -9.727 126 HB2 GLU 17 2HB GLU 17 -4.717 -1.156 -11.513 127 HB3 GLU 17 3HB GLU 17 -4.481 0.586 -11.499 128 HG2 GLU 17 2HG GLU 17 -2.210 -1.314 -12.087 129 HG3 GLU 17 3HG GLU 17 -3.317 -0.769 -13.340 130 H LYS 18 H LYS 18 -5.615 -1.718 -9.107 131 HA LYS 18 HA LYS 18 -7.220 0.420 -8.114 132 HB2 LYS 18 2HB LYS 18 -7.436 -2.598 -7.784 133 HB3 LYS 18 3HB LYS 18 -8.559 -1.511 -6.986 134 HG2 LYS 18 2HG LYS 18 -9.668 -2.294 -8.933 135 HG3 LYS 18 3HG LYS 18 -9.196 -0.629 -9.286 136 HD2 LYS 18 2HD LYS 18 -7.335 -1.393 -10.645 137 HD3 LYS 18 3HD LYS 18 -7.614 -3.066 -10.162 138 HE2 LYS 18 2HE LYS 18 -8.431 -2.731 -12.414 139 HE3 LYS 18 3HE LYS 18 -9.803 -3.005 -11.340 140 HZ1 LYS 18 3HZ LYS 18 -10.179 -1.215 -12.928 141 HZ2 LYS 18 1HZ LYS 18 -8.879 -0.352 -12.284 142 HZ3 LYS 18 2HZ LYS 18 -10.245 -0.653 -11.336 143 H ALA 19 H ALA 19 -5.118 -1.996 -6.517 144 HA ALA 19 HA ALA 19 -5.434 -1.173 -3.837 145 HB1 ALA 19 3HB ALA 19 -3.284 -2.311 -3.419 146 HB2 ALA 19 1HB ALA 19 -2.976 -2.374 -5.160 147 HB3 ALA 19 2HB ALA 19 -4.327 -3.272 -4.469 148 H LEU 20 H LEU 20 -3.107 -0.138 -6.315 149 HA LEU 20 HA LEU 20 -1.467 1.609 -4.921 150 HB2 LEU 20 2HB LEU 20 -1.097 0.817 -7.255 151 HB3 LEU 20 3HB LEU 20 -2.399 1.832 -7.827 152 HG LEU 20 HG LEU 20 0.108 2.575 -8.166 153 HD11 LEU 20 1HD1 LEU 20 -1.911 4.615 -7.202 154 HD12 LEU 20 2HD1 LEU 20 -1.729 4.016 -8.849 155 HD13 LEU 20 3HD1 LEU 20 -0.440 4.965 -8.118 156 HD21 LEU 20 3HD2 LEU 20 0.821 2.289 -5.837 157 HD22 LEU 20 1HD2 LEU 20 -0.305 3.549 -5.326 158 HD23 LEU 20 2HD2 LEU 20 1.054 3.947 -6.376 159 H LYS 21 H LYS 21 -4.394 2.354 -6.736 160 HA LYS 21 HA LYS 21 -4.462 5.103 -6.548 161 HB2 LYS 21 2HB LYS 21 -5.891 3.648 -8.036 162 HB3 LYS 21 3HB LYS 21 -6.834 3.185 -6.625 163 HG2 LYS 21 2HG LYS 21 -7.274 5.761 -6.367 164 HG3 LYS 21 3HG LYS 21 -6.738 5.851 -8.043 165 HD2 LYS 21 2HD LYS 21 -9.203 5.708 -7.902 166 HD3 LYS 21 3HD LYS 21 -8.534 4.288 -8.714 167 HE2 LYS 21 2HE LYS 21 -8.804 2.938 -6.721 168 HE3 LYS 21 3HE LYS 21 -9.257 4.348 -5.761 169 HZ1 LYS 21 3HZ LYS 21 -11.120 2.886 -6.488 170 HZ2 LYS 21 1HZ LYS 21 -10.844 3.398 -8.074 171 HZ3 LYS 21 2HZ LYS 21 -11.299 4.514 -6.889 172 H GLU 22 H GLU 22 -5.868 2.644 -4.440 173 HA GLU 22 HA GLU 22 -7.129 4.451 -2.619 174 HB2 GLU 22 2HB GLU 22 -6.559 1.469 -2.483 175 HB3 GLU 22 3HB GLU 22 -7.491 2.339 -1.269 176 HG2 GLU 22 2HG GLU 22 -8.234 2.177 -4.200 177 HG3 GLU 22 3HG GLU 22 -8.871 1.107 -2.955 178 H MET 23 H MET 23 -4.008 2.620 -2.529 179 HA MET 23 HA MET 23 -3.418 3.219 0.176 180 HB2 MET 23 2HB MET 23 -1.585 2.434 -2.116 181 HB3 MET 23 3HB MET 23 -1.007 2.656 -0.467 182 HG2 MET 23 2HG MET 23 -3.029 0.617 -1.404 183 HG3 MET 23 3HG MET 23 -1.369 0.304 -0.912 184 HE1 MET 23 3HE MET 23 -0.525 0.656 1.646 185 HE2 MET 23 1HE MET 23 -1.610 1.085 2.970 186 HE3 MET 23 2HE MET 23 -1.226 2.275 1.727 187 H ILE 24 H ILE 24 -2.625 4.976 -2.816 188 HA ILE 24 HA ILE 24 -1.016 7.011 -1.650 189 HB ILE 24 HB ILE 24 -2.729 7.051 -4.186 190 HG12 ILE 24 2HG1 ILE 24 0.264 6.641 -3.721 191 HG13 ILE 24 3HG1 ILE 24 -0.878 5.475 -4.375 192 HG21 ILE 24 1HG2 ILE 24 -1.529 9.110 -4.866 193 HG22 ILE 24 2HG2 ILE 24 -0.725 9.160 -3.298 194 HG23 ILE 24 3HG2 ILE 24 -2.472 9.369 -3.395 195 HD11 ILE 24 3HD1 ILE 24 0.505 6.326 -6.129 196 HD12 ILE 24 1HD1 ILE 24 0.094 7.991 -5.716 197 HD13 ILE 24 2HD1 ILE 24 -1.142 6.910 -6.366 198 H ARG 25 H ARG 25 -4.477 6.819 -2.368 199 HA ARG 25 HA ARG 25 -5.509 9.193 -1.431 200 HB2 ARG 25 2HB ARG 25 -6.766 7.425 -2.613 201 HB3 ARG 25 3HB ARG 25 -6.626 6.372 -1.220 202 HG2 ARG 25 2HG ARG 25 -8.052 8.014 0.064 203 HG3 ARG 25 3HG ARG 25 -8.294 8.889 -1.451 204 HD2 ARG 25 2HD ARG 25 -9.209 6.752 -2.454 205 HD3 ARG 25 3HD ARG 25 -9.109 6.019 -0.849 206 HE ARG 25 HE ARG 25 -10.615 8.384 -0.658 207 HH11 ARG 25 1HH1 ARG 25 -10.922 5.150 -2.094 208 HH12 ARG 25 2HH1 ARG 25 -12.659 5.162 -2.004 209 HH21 ARG 25 1HH2 ARG 25 -12.893 8.363 -0.584 210 HH22 ARG 25 2HH2 ARG 25 -13.770 6.977 -1.153 211 H GLN 26 H GLN 26 -4.630 6.298 0.434 212 HA GLN 26 HA GLN 26 -5.594 7.240 2.974 213 HB2 GLN 26 2HB GLN 26 -3.623 4.994 2.375 214 HB3 GLN 26 3HB GLN 26 -4.458 5.256 3.907 215 HG2 GLN 26 2HG GLN 26 -5.725 4.522 1.267 216 HG3 GLN 26 3HG GLN 26 -5.540 3.476 2.661 217 HE21 GLN 26 1HE2 GLN 26 -7.946 4.354 1.184 218 HE22 GLN 26 2HE2 GLN 26 -8.994 5.034 2.370 219 H ALA 27 H ALA 27 -2.349 6.982 1.517 220 HA ALA 27 HA ALA 27 -0.881 8.009 3.709 221 HB1 ALA 27 3HB ALA 27 -0.187 8.051 0.757 222 HB2 ALA 27 1HB ALA 27 0.118 6.726 1.877 223 HB3 ALA 27 2HB ALA 27 0.950 8.265 2.093 224 H ARG 28 H ARG 28 -2.699 9.586 1.189 225 HA ARG 28 HA ARG 28 -1.617 12.237 1.631 226 HB2 ARG 28 2HB ARG 28 -3.932 11.241 -0.084 227 HB3 ARG 28 3HB ARG 28 -3.490 12.943 0.046 228 HG2 ARG 28 2HG ARG 28 -1.168 12.289 -0.775 229 HG3 ARG 28 3HG ARG 28 -1.829 10.692 -1.121 230 HD2 ARG 28 2HD ARG 28 -3.368 11.610 -2.759 231 HD3 ARG 28 3HD ARG 28 -2.934 13.266 -2.305 232 HE ARG 28 HE ARG 28 -0.734 11.609 -3.248 233 HH11 ARG 28 1HH1 ARG 28 -3.164 14.002 -4.188 234 HH12 ARG 28 2HH1 ARG 28 -2.292 14.466 -5.618 235 HH21 ARG 28 1HH2 ARG 28 0.391 12.265 -5.107 236 HH22 ARG 28 2HH2 ARG 28 -0.293 13.489 -6.138 237 H LYS 29 H LYS 29 -4.581 10.447 2.606 238 HA LYS 29 HA LYS 29 -5.865 12.714 3.816 239 HB2 LYS 29 2HB LYS 29 -7.465 11.215 4.795 240 HB3 LYS 29 3HB LYS 29 -7.111 10.604 3.186 241 HG2 LYS 29 2HG LYS 29 -5.665 8.879 4.135 242 HG3 LYS 29 3HG LYS 29 -5.928 9.511 5.755 243 HD2 LYS 29 2HD LYS 29 -8.096 8.337 3.974 244 HD3 LYS 29 3HD LYS 29 -7.256 7.460 5.251 245 HE2 LYS 29 2HE LYS 29 -8.154 9.081 6.920 246 HE3 LYS 29 3HE LYS 29 -9.047 9.884 5.623 247 HZ1 LYS 29 3HZ LYS 29 -10.127 7.679 5.192 248 HZ2 LYS 29 1HZ LYS 29 -10.532 8.390 6.671 249 HZ3 LYS 29 2HZ LYS 29 -9.426 7.113 6.625 250 H PHE 30 H PHE 30 -3.558 10.317 4.938 251 HA PHE 30 HA PHE 30 -3.562 11.222 7.701 252 HB2 PHE 30 2HB PHE 30 -1.802 9.225 6.210 253 HB3 PHE 30 3HB PHE 30 -1.695 9.537 7.938 254 HD1 PHE 30 HD1 PHE 30 -4.510 9.627 8.793 255 HD2 PHE 30 HD2 PHE 30 -2.607 7.002 6.003 256 HE1 PHE 30 HE1 PHE 30 -6.178 7.889 9.272 257 HE2 PHE 30 HE2 PHE 30 -4.291 5.273 6.488 258 HZ PHE 30 HZ PHE 30 -6.076 5.720 8.120 259 H ALA 31 H ALA 31 -2.397 12.559 4.950 260 HA ALA 31 HA ALA 31 -1.141 14.366 4.502 261 HB1 ALA 31 3HB ALA 31 -0.743 15.982 6.308 262 HB2 ALA 31 1HB ALA 31 -1.119 14.752 7.517 263 HB3 ALA 31 2HB ALA 31 -2.373 15.319 6.414 264 H GLY 32 H GLY 32 0.181 11.791 4.904 265 HA2 GLY 32 2HA GLY 32 2.938 12.538 5.617 266 HA3 GLY 32 3HA GLY 32 2.332 10.921 5.274 267 H THR 33 H THR 33 4.341 10.969 3.956 268 HA THR 33 HA THR 33 3.993 12.062 1.234 269 HB THR 33 HB THR 33 6.485 10.987 2.669 270 HG1 THR 33 HG1 THR 33 5.644 13.639 2.024 271 HG21 THR 33 3HG2 THR 33 6.676 10.602 0.240 272 HG22 THR 33 1HG2 THR 33 7.767 11.892 0.748 273 HG23 THR 33 2HG2 THR 33 6.259 12.288 -0.077 274 H VAL 34 H VAL 34 4.015 10.574 -0.527 275 HA VAL 34 HA VAL 34 4.142 7.695 0.065 276 HB VAL 34 HB VAL 34 1.779 8.209 0.057 277 HG11 VAL 34 1HG1 VAL 34 0.568 9.206 -1.836 278 HG12 VAL 34 2HG1 VAL 34 2.101 9.502 -2.659 279 HG13 VAL 34 3HG1 VAL 34 1.744 10.325 -1.142 280 HG21 VAL 34 3HG2 VAL 34 2.421 6.075 -0.970 281 HG22 VAL 34 1HG2 VAL 34 2.522 6.846 -2.555 282 HG23 VAL 34 2HG2 VAL 34 0.966 6.716 -1.732 283 H THR 35 H THR 35 5.484 6.728 -1.234 284 HA THR 35 HA THR 35 6.012 7.649 -4.007 285 HB THR 35 HB THR 35 7.796 5.906 -2.205 286 HG1 THR 35 HG1 THR 35 7.932 7.857 -1.263 287 HG21 THR 35 3HG2 THR 35 8.212 5.603 -4.637 288 HG22 THR 35 1HG2 THR 35 9.580 6.367 -3.823 289 HG23 THR 35 2HG2 THR 35 8.481 7.341 -4.802 290 H TYR 36 H TYR 36 6.088 5.872 -5.574 291 HA TYR 36 HA TYR 36 5.465 3.165 -4.733 292 HB2 TYR 36 2HB TYR 36 3.457 2.879 -6.046 293 HB3 TYR 36 3HB TYR 36 3.204 4.247 -4.976 294 HD1 TYR 36 HD2 TYR 36 3.354 6.609 -5.939 295 HD2 TYR 36 HD1 TYR 36 3.246 3.139 -8.443 296 HE1 TYR 36 HE2 TYR 36 2.718 8.007 -7.857 297 HE2 TYR 36 HE1 TYR 36 2.614 4.547 -10.350 298 HH TYR 36 HH TYR 36 2.855 7.918 -10.312 299 H THR 37 H THR 37 6.013 1.598 -6.275 300 HA THR 37 HA THR 37 6.854 2.489 -8.968 301 HB THR 37 HB THR 37 8.533 0.608 -7.237 302 HG1 THR 37 HG1 THR 37 8.763 2.713 -6.471 303 HG21 THR 37 3HG2 THR 37 10.237 0.833 -9.016 304 HG22 THR 37 1HG2 THR 37 9.129 1.831 -9.962 305 HG23 THR 37 2HG2 THR 37 8.747 0.136 -9.657 306 H LEU 38 H LEU 38 5.654 1.344 -10.381 307 HA LEU 38 HA LEU 38 4.834 -1.429 -9.915 308 HB2 LEU 38 2HB LEU 38 4.590 0.358 -12.385 309 HB3 LEU 38 3HB LEU 38 3.880 -1.242 -12.229 310 HG LEU 38 HG LEU 38 3.122 1.148 -10.500 311 HD11 LEU 38 1HD1 LEU 38 2.458 1.508 -12.830 312 HD12 LEU 38 2HD1 LEU 38 1.059 1.254 -11.795 313 HD13 LEU 38 3HD1 LEU 38 1.621 -0.049 -12.847 314 HD21 LEU 38 3HD2 LEU 38 1.830 -1.591 -10.727 315 HD22 LEU 38 1HD2 LEU 38 1.208 -0.225 -9.792 316 HD23 LEU 38 2HD2 LEU 38 2.741 -0.968 -9.346 317 H ASP 39 H ASP 39 6.438 -2.949 -10.123 318 HA ASP 39 HA ASP 39 8.379 -2.723 -12.356 319 HB2 ASP 39 2HB ASP 39 9.334 -2.194 -10.012 320 HB3 ASP 39 3HB ASP 39 9.039 -3.882 -9.604 321 H GLY 40 H GLY 40 7.105 -4.040 -13.613 322 HA2 GLY 40 2HA GLY 40 6.599 -6.012 -14.647 323 HA3 GLY 40 3HA GLY 40 7.461 -6.875 -13.383 324 H ASN 41 H ASN 41 6.320 -7.539 -11.507 325 HA ASN 41 HA ASN 41 3.360 -7.356 -11.555 326 HB2 ASN 41 2HB ASN 41 5.033 -9.903 -11.442 327 HB3 ASN 41 3HB ASN 41 3.394 -9.857 -10.802 328 HD21 ASN 41 1HD2 ASN 41 1.654 -9.621 -12.238 329 HD22 ASN 41 2HD2 ASN 41 1.816 -9.883 -13.931 330 H ASP 42 H ASP 42 5.480 -6.012 -9.960 331 HA ASP 42 HA ASP 42 4.104 -6.448 -7.405 332 HB2 ASP 42 2HB ASP 42 6.167 -6.256 -6.057 333 HB3 ASP 42 3HB ASP 42 6.234 -7.663 -7.110 334 H LEU 43 H LEU 43 4.215 -4.633 -5.982 335 HA LEU 43 HA LEU 43 4.760 -2.001 -7.216 336 HB2 LEU 43 2HB LEU 43 2.423 -2.395 -7.590 337 HB3 LEU 43 3HB LEU 43 2.198 -3.060 -5.981 338 HG LEU 43 HG LEU 43 2.498 -0.795 -5.001 339 HD11 LEU 43 1HD1 LEU 43 2.604 0.224 -7.850 340 HD12 LEU 43 2HD1 LEU 43 3.924 0.252 -6.683 341 HD13 LEU 43 3HD1 LEU 43 2.480 1.219 -6.398 342 HD21 LEU 43 3HD2 LEU 43 0.322 0.081 -5.690 343 HD22 LEU 43 1HD2 LEU 43 0.272 -1.671 -5.494 344 HD23 LEU 43 2HD2 LEU 43 0.336 -0.966 -7.112 345 H GLU 44 H GLU 44 6.416 -1.311 -5.890 346 HA GLU 44 HA GLU 44 6.252 -1.653 -2.973 347 HB2 GLU 44 2HB GLU 44 8.387 -2.197 -4.058 348 HB3 GLU 44 3HB GLU 44 8.500 -0.581 -4.747 349 HG2 GLU 44 2HG GLU 44 8.748 0.390 -2.520 350 HG3 GLU 44 3HG GLU 44 8.511 -1.182 -1.763 351 H ILE 45 H ILE 45 4.860 -0.223 -2.188 352 HA ILE 45 HA ILE 45 4.916 2.654 -2.823 353 HB ILE 45 HB ILE 45 2.972 1.052 -1.064 354 HG12 ILE 45 2HG1 ILE 45 2.567 2.123 -3.900 355 HG13 ILE 45 3HG1 ILE 45 2.853 0.437 -3.487 356 HG21 ILE 45 1HG2 ILE 45 1.531 3.062 -1.111 357 HG22 ILE 45 2HG2 ILE 45 2.752 3.932 -2.042 358 HG23 ILE 45 3HG2 ILE 45 3.099 3.428 -0.388 359 HD11 ILE 45 3HD1 ILE 45 0.528 0.829 -3.930 360 HD12 ILE 45 1HD1 ILE 45 0.460 2.073 -2.684 361 HD13 ILE 45 2HD1 ILE 45 0.755 0.390 -2.239 362 H ARG 46 H ARG 46 6.330 3.851 -1.571 363 HA ARG 46 HA ARG 46 7.083 2.911 1.140 364 HB2 ARG 46 2HB ARG 46 8.477 4.811 -0.791 365 HB3 ARG 46 3HB ARG 46 9.035 4.498 0.852 366 HG2 ARG 46 2HG ARG 46 9.385 2.117 0.277 367 HG3 ARG 46 3HG ARG 46 8.824 2.437 -1.367 368 HD2 ARG 46 2HD ARG 46 10.702 3.922 -1.780 369 HD3 ARG 46 3HD ARG 46 11.241 3.792 -0.105 370 HE ARG 46 HE ARG 46 11.407 1.707 -2.184 371 HH11 ARG 46 1HH1 ARG 46 12.341 2.845 1.012 372 HH12 ARG 46 2HH1 ARG 46 13.571 1.640 1.213 373 HH21 ARG 46 1HH2 ARG 46 12.972 0.081 -1.875 374 HH22 ARG 46 2HH2 ARG 46 13.928 0.073 -0.423 375 H ILE 47 H ILE 47 5.899 3.863 2.668 376 HA ILE 47 HA ILE 47 4.975 6.658 2.336 377 HB ILE 47 HB ILE 47 3.651 4.414 3.939 378 HG12 ILE 47 2HG1 ILE 47 2.788 5.758 1.325 379 HG13 ILE 47 3HG1 ILE 47 3.450 4.135 1.460 380 HG21 ILE 47 1HG2 ILE 47 1.787 6.018 4.296 381 HG22 ILE 47 2HG2 ILE 47 2.714 7.277 3.479 382 HG23 ILE 47 3HG2 ILE 47 3.289 6.612 5.008 383 HD11 ILE 47 3HD1 ILE 47 1.080 4.052 1.143 384 HD12 ILE 47 1HD1 ILE 47 0.808 5.082 2.548 385 HD13 ILE 47 2HD1 ILE 47 1.480 3.463 2.754 386 H THR 48 H THR 48 5.890 8.061 3.610 387 HA THR 48 HA THR 48 6.950 7.395 6.292 388 HB THR 48 HB THR 48 8.467 9.029 4.185 389 HG1 THR 48 HG1 THR 48 8.355 6.314 4.577 390 HG21 THR 48 3HG2 THR 48 9.079 9.641 6.504 391 HG22 THR 48 1HG2 THR 48 10.408 8.795 5.707 392 HG23 THR 48 2HG2 THR 48 9.397 7.944 6.875 393 H GLY 49 H GLY 49 7.149 9.383 7.653 394 HA2 GLY 49 2HA GLY 49 6.793 11.688 8.108 395 HA3 GLY 49 3HA GLY 49 5.775 11.828 6.681 396 H VAL 50 H VAL 50 4.339 9.324 7.407 397 HA VAL 50 HA VAL 50 2.387 10.289 9.280 398 HB VAL 50 HB VAL 50 1.338 8.027 8.991 399 HG11 VAL 50 1HG1 VAL 50 0.758 9.820 7.408 400 HG12 VAL 50 2HG1 VAL 50 0.739 8.249 6.606 401 HG13 VAL 50 3HG1 VAL 50 2.097 9.350 6.355 402 HG21 VAL 50 3HG2 VAL 50 2.258 6.400 7.381 403 HG22 VAL 50 1HG2 VAL 50 3.372 6.661 8.725 404 HG23 VAL 50 2HG2 VAL 50 3.690 7.411 7.159 405 HA PRO 51 HA PRO 51 4.304 8.745 13.168 406 HB2 PRO 51 2HB PRO 51 1.417 8.267 13.950 407 HB3 PRO 51 3HB PRO 51 2.698 9.135 14.830 408 HG2 PRO 51 2HG PRO 51 0.765 10.469 13.593 409 HG3 PRO 51 3HG PRO 51 2.435 11.078 13.580 410 HD2 PRO 51 2HD PRO 51 0.903 9.717 11.378 411 HD3 PRO 51 3HD PRO 51 2.093 11.031 11.280 412 H GLU 52 H GLU 52 4.262 6.761 14.518 413 HA GLU 52 HA GLU 52 4.312 4.415 12.897 414 HB2 GLU 52 2HB GLU 52 5.964 4.806 14.663 415 HB3 GLU 52 3HB GLU 52 4.713 4.771 15.902 416 HG2 GLU 52 2HG GLU 52 4.306 2.407 15.470 417 HG3 GLU 52 3HG GLU 52 5.437 2.425 14.118 418 H GLN 53 H GLN 53 2.034 5.675 15.276 419 HA GLN 53 HA GLN 53 0.318 3.410 15.489 420 HB2 GLN 53 2HB GLN 53 -1.419 5.052 16.224 421 HB3 GLN 53 3HB GLN 53 0.107 5.258 17.070 422 HG2 GLN 53 2HG GLN 53 0.629 7.255 15.853 423 HG3 GLN 53 3HG GLN 53 -0.668 6.969 14.696 424 HE21 GLN 53 1HE2 GLN 53 -2.801 7.466 15.290 425 HE22 GLN 53 2HE2 GLN 53 -3.172 8.448 16.668 426 H VAL 54 H VAL 54 0.624 6.008 13.169 427 HA VAL 54 HA VAL 54 -1.768 5.377 11.679 428 HB VAL 54 HB VAL 54 0.515 7.322 11.099 429 HG11 VAL 54 1HG1 VAL 54 -2.179 7.067 9.714 430 HG12 VAL 54 2HG1 VAL 54 -0.598 6.724 9.008 431 HG13 VAL 54 3HG1 VAL 54 -1.017 8.372 9.463 432 HG21 VAL 54 3HG2 VAL 54 -2.264 7.850 12.215 433 HG22 VAL 54 1HG2 VAL 54 -1.048 9.074 11.836 434 HG23 VAL 54 2HG2 VAL 54 -0.753 7.908 13.127 435 H ARG 55 H ARG 55 1.694 4.600 11.474 436 HA ARG 55 HA ARG 55 1.740 3.521 8.848 437 HB2 ARG 55 2HB ARG 55 3.483 2.844 11.258 438 HB3 ARG 55 3HB ARG 55 3.756 2.185 9.648 439 HG2 ARG 55 2HG ARG 55 3.969 4.591 8.830 440 HG3 ARG 55 3HG ARG 55 3.988 5.069 10.526 441 HD2 ARG 55 2HD ARG 55 5.985 3.243 9.152 442 HD3 ARG 55 3HD ARG 55 6.267 4.910 9.643 443 HE ARG 55 HE ARG 55 5.617 3.739 11.974 444 HH11 ARG 55 1HH1 ARG 55 7.973 2.800 9.526 445 HH12 ARG 55 2HH1 ARG 55 9.030 2.050 10.672 446 HH21 ARG 55 1HH2 ARG 55 7.054 2.776 13.459 447 HH22 ARG 55 2HH2 ARG 55 8.511 2.035 12.890 448 H LYS 56 H LYS 56 0.865 2.153 11.969 449 HA LYS 56 HA LYS 56 0.330 -0.516 11.228 450 HB2 LYS 56 2HB LYS 56 -1.032 1.212 13.343 451 HB3 LYS 56 3HB LYS 56 -1.192 -0.540 13.228 452 HG2 LYS 56 2HG LYS 56 1.175 -0.838 13.715 453 HG3 LYS 56 3HG LYS 56 1.433 0.909 13.699 454 HD2 LYS 56 2HD LYS 56 -0.049 1.148 15.671 455 HD3 LYS 56 3HD LYS 56 -0.321 -0.598 15.681 456 HE2 LYS 56 2HE LYS 56 1.349 0.080 17.364 457 HE3 LYS 56 3HE LYS 56 2.057 -0.985 16.150 458 HZ1 LYS 56 3HZ LYS 56 3.512 0.853 16.656 459 HZ2 LYS 56 1HZ LYS 56 2.317 1.976 16.240 460 HZ3 LYS 56 2HZ LYS 56 2.985 0.964 15.055 461 H GLU 57 H GLU 57 -1.536 2.443 10.834 462 HA GLU 57 HA GLU 57 -3.989 1.148 10.028 463 HB2 GLU 57 2HB GLU 57 -3.136 4.076 9.809 464 HB3 GLU 57 3HB GLU 57 -4.762 3.464 9.516 465 HG2 GLU 57 2HG GLU 57 -3.264 3.369 12.139 466 HG3 GLU 57 3HG GLU 57 -4.595 4.453 11.743 467 H LEU 58 H LEU 58 -1.230 2.685 8.341 468 HA LEU 58 HA LEU 58 -2.192 2.242 5.698 469 HB2 LEU 58 2HB LEU 58 0.585 2.709 6.818 470 HB3 LEU 58 3HB LEU 58 0.397 2.215 5.151 471 HG LEU 58 HG LEU 58 0.628 4.539 5.012 472 HD11 LEU 58 1HD1 LEU 58 -1.489 5.452 4.192 473 HD12 LEU 58 2HD1 LEU 58 -2.372 4.116 4.932 474 HD13 LEU 58 3HD1 LEU 58 -1.230 3.803 3.624 475 HD21 LEU 58 3HD2 LEU 58 -0.525 6.213 6.369 476 HD22 LEU 58 1HD2 LEU 58 0.436 5.123 7.365 477 HD23 LEU 58 2HD2 LEU 58 -1.319 4.940 7.299 478 H ALA 59 H ALA 59 -0.581 0.159 8.038 479 HA ALA 59 HA ALA 59 -0.142 -2.093 6.377 480 HB1 ALA 59 3HB ALA 59 -0.690 -2.017 9.370 481 HB2 ALA 59 1HB ALA 59 0.891 -1.867 8.608 482 HB3 ALA 59 2HB ALA 59 -0.009 -3.378 8.476 483 H LYS 60 H LYS 60 -2.968 -0.973 8.266 484 HA LYS 60 HA LYS 60 -4.621 -3.254 7.882 485 HB2 LYS 60 2HB LYS 60 -5.603 -0.392 8.232 486 HB3 LYS 60 3HB LYS 60 -6.518 -1.862 8.539 487 HG2 LYS 60 2HG LYS 60 -4.230 -0.726 10.137 488 HG3 LYS 60 3HG LYS 60 -5.903 -0.937 10.613 489 HD2 LYS 60 2HD LYS 60 -5.649 -3.358 10.670 490 HD3 LYS 60 3HD LYS 60 -3.993 -3.222 10.067 491 HE2 LYS 60 2HE LYS 60 -4.153 -3.614 12.549 492 HE3 LYS 60 3HE LYS 60 -3.265 -2.154 12.112 493 HZ1 LYS 60 3HZ LYS 60 -4.846 -1.879 13.974 494 HZ2 LYS 60 1HZ LYS 60 -6.125 -2.172 12.908 495 HZ3 LYS 60 2HZ LYS 60 -5.132 -0.817 12.688 496 H GLU 61 H GLU 61 -4.095 -0.302 6.005 497 HA GLU 61 HA GLU 61 -6.170 -0.735 4.099 498 HB2 GLU 61 2HB GLU 61 -3.682 1.013 3.852 499 HB3 GLU 61 3HB GLU 61 -5.118 1.101 2.839 500 HG2 GLU 61 2HG GLU 61 -4.886 1.806 5.763 501 HG3 GLU 61 3HG GLU 61 -5.220 2.897 4.424 502 H ALA 62 H ALA 62 -2.689 -1.343 4.134 503 HA ALA 62 HA ALA 62 -2.255 -2.532 1.679 504 HB1 ALA 62 3HB ALA 62 -0.524 -1.993 3.371 505 HB2 ALA 62 1HB ALA 62 -0.362 -3.646 2.794 506 HB3 ALA 62 2HB ALA 62 -1.082 -3.333 4.372 507 H GLU 63 H GLU 63 -3.318 -4.069 4.703 508 HA GLU 63 HA GLU 63 -3.595 -6.692 3.750 509 HB2 GLU 63 2HB GLU 63 -4.732 -5.235 6.184 510 HB3 GLU 63 3HB GLU 63 -4.972 -6.968 5.906 511 HG2 GLU 63 2HG GLU 63 -2.209 -5.738 6.000 512 HG3 GLU 63 3HG GLU 63 -3.052 -6.247 7.444 513 H ARG 64 H ARG 64 -6.105 -4.137 4.153 514 HA ARG 64 HA ARG 64 -8.302 -5.867 3.564 515 HB2 ARG 64 2HB ARG 64 -9.690 -3.845 3.471 516 HB3 ARG 64 3HB ARG 64 -8.601 -3.777 4.850 517 HG2 ARG 64 2HG ARG 64 -7.120 -2.246 3.617 518 HG3 ARG 64 3HG ARG 64 -8.205 -2.303 2.230 519 HD2 ARG 64 2HD ARG 64 -9.021 -1.297 4.981 520 HD3 ARG 64 3HD ARG 64 -8.447 -0.256 3.679 521 HE ARG 64 HE ARG 64 -10.809 -1.965 3.245 522 HH11 ARG 64 1HH1 ARG 64 -9.455 1.290 3.527 523 HH12 ARG 64 2HH1 ARG 64 -10.899 2.058 2.913 524 HH21 ARG 64 1HH2 ARG 64 -12.652 -0.950 2.410 525 HH22 ARG 64 2HH2 ARG 64 -12.705 0.787 2.279 526 H LEU 65 H LEU 65 -6.219 -3.843 1.578 527 HA LEU 65 HA LEU 65 -7.764 -4.124 -0.859 528 HB2 LEU 65 2HB LEU 65 -4.959 -3.064 -0.337 529 HB3 LEU 65 3HB LEU 65 -5.762 -2.992 -1.898 530 HG LEU 65 HG LEU 65 -6.731 -1.611 0.637 531 HD11 LEU 65 1HD1 LEU 65 -4.684 -0.592 -0.233 532 HD12 LEU 65 2HD1 LEU 65 -6.065 0.483 -0.418 533 HD13 LEU 65 3HD1 LEU 65 -5.439 -0.392 -1.818 534 HD21 LEU 65 3HD2 LEU 65 -8.374 -0.475 -0.799 535 HD22 LEU 65 1HD2 LEU 65 -8.617 -2.220 -0.791 536 HD23 LEU 65 2HD2 LEU 65 -7.851 -1.444 -2.178 537 H ALA 66 H ALA 66 -5.005 -5.736 0.625 538 HA ALA 66 HA ALA 66 -4.094 -7.249 -1.576 539 HB1 ALA 66 3HB ALA 66 -3.996 -7.980 1.367 540 HB2 ALA 66 1HB ALA 66 -2.815 -6.982 0.514 541 HB3 ALA 66 2HB ALA 66 -3.005 -8.683 0.085 542 H LYS 67 H LYS 67 -6.329 -8.169 1.042 543 HA LYS 67 HA LYS 67 -6.958 -10.749 -0.065 544 HB2 LYS 67 2HB LYS 67 -8.538 -10.930 1.818 545 HB3 LYS 67 3HB LYS 67 -6.970 -10.346 2.359 546 HG2 LYS 67 2HG LYS 67 -7.905 -8.011 2.357 547 HG3 LYS 67 3HG LYS 67 -9.489 -8.697 2.002 548 HD2 LYS 67 2HD LYS 67 -7.814 -9.221 4.492 549 HD3 LYS 67 3HD LYS 67 -9.274 -8.237 4.407 550 HE2 LYS 67 2HE LYS 67 -10.570 -10.284 3.774 551 HE3 LYS 67 3HE LYS 67 -9.100 -11.241 3.972 552 HZ1 LYS 67 3HZ LYS 67 -9.029 -10.506 6.313 553 HZ2 LYS 67 1HZ LYS 67 -10.436 -11.378 5.955 554 HZ3 LYS 67 2HZ LYS 67 -10.494 -9.694 6.092 555 H GLU 68 H GLU 68 -8.185 -7.559 -0.524 556 HA GLU 68 HA GLU 68 -10.815 -8.179 -1.472 557 HB2 GLU 68 2HB GLU 68 -10.101 -5.917 -0.630 558 HB3 GLU 68 3HB GLU 68 -9.100 -5.721 -2.062 559 HG2 GLU 68 2HG GLU 68 -11.132 -4.481 -2.376 560 HG3 GLU 68 3HG GLU 68 -11.173 -5.869 -3.461 561 H PHE 69 H PHE 69 -7.740 -7.338 -3.092 562 HA PHE 69 HA PHE 69 -8.878 -7.878 -5.753 563 HB2 PHE 69 2HB PHE 69 -6.214 -6.588 -4.990 564 HB3 PHE 69 3HB PHE 69 -6.909 -6.653 -6.607 565 HD1 PHE 69 HD1 PHE 69 -9.635 -5.825 -6.388 566 HD2 PHE 69 HD2 PHE 69 -6.274 -4.385 -4.167 567 HE1 PHE 69 HE1 PHE 69 -10.811 -3.706 -5.965 568 HE2 PHE 69 HE2 PHE 69 -7.461 -2.274 -3.751 569 HZ PHE 69 HZ PHE 69 -9.713 -1.928 -4.650 570 H ASN 70 H ASN 70 -7.623 -9.827 -3.558 571 HA ASN 70 HA ASN 70 -6.749 -11.911 -3.543 572 HB2 ASN 70 2HB ASN 70 -8.416 -12.183 -5.419 573 HB3 ASN 70 3HB ASN 70 -7.139 -11.832 -6.573 574 HD21 ASN 70 1HD2 ASN 70 -5.702 -13.475 -7.122 575 HD22 ASN 70 2HD2 ASN 70 -5.873 -15.107 -6.579 576 H ILE 71 H ILE 71 -5.021 -9.563 -3.849 577 HA ILE 71 HA ILE 71 -2.580 -10.730 -5.048 578 HB ILE 71 HB ILE 71 -1.625 -8.411 -4.899 579 HG12 ILE 71 2HG1 ILE 71 -4.478 -7.640 -4.109 580 HG13 ILE 71 3HG1 ILE 71 -3.032 -7.442 -3.131 581 HG21 ILE 71 1HG2 ILE 71 -4.156 -8.660 -6.564 582 HG22 ILE 71 2HG2 ILE 71 -2.564 -9.285 -7.003 583 HG23 ILE 71 3HG2 ILE 71 -2.820 -7.546 -6.866 584 HD11 ILE 71 3HD1 ILE 71 -3.700 -5.954 -5.665 585 HD12 ILE 71 1HD1 ILE 71 -2.193 -5.790 -4.759 586 HD13 ILE 71 2HD1 ILE 71 -3.723 -5.326 -4.017 587 H THR 72 H THR 72 -0.646 -10.646 -3.877 588 HA THR 72 HA THR 72 -0.907 -11.111 -1.004 589 HB THR 72 HB THR 72 1.618 -11.737 -1.339 590 HG1 THR 72 HG1 THR 72 0.796 -11.506 -4.053 591 HG21 THR 72 3HG2 THR 72 1.078 -13.934 -2.346 592 HG22 THR 72 1HG2 THR 72 -0.492 -13.315 -2.863 593 HG23 THR 72 2HG2 THR 72 -0.127 -13.474 -1.143 594 H VAL 73 H VAL 73 0.249 -9.884 0.594 595 HA VAL 73 HA VAL 73 1.737 -7.497 -0.305 596 HB VAL 73 HB VAL 73 -0.616 -6.806 0.343 597 HG11 VAL 73 1HG1 VAL 73 -1.289 -6.713 2.698 598 HG12 VAL 73 2HG1 VAL 73 0.174 -7.584 3.170 599 HG13 VAL 73 3HG1 VAL 73 -1.044 -8.380 2.173 600 HG21 VAL 73 3HG2 VAL 73 1.551 -5.613 2.111 601 HG22 VAL 73 1HG2 VAL 73 0.040 -4.844 1.620 602 HG23 VAL 73 2HG2 VAL 73 1.273 -5.205 0.414 603 H THR 74 H THR 74 3.357 -6.850 1.000 604 HA THR 74 HA THR 74 3.922 -8.125 3.574 605 HB THR 74 HB THR 74 5.273 -9.407 1.970 606 HG1 THR 74 HG1 THR 74 7.278 -7.767 2.963 607 HG21 THR 74 3HG2 THR 74 6.999 -8.375 0.538 608 HG22 THR 74 1HG2 THR 74 6.467 -6.766 1.036 609 HG23 THR 74 2HG2 THR 74 5.391 -7.797 0.092 610 H TYR 75 H TYR 75 4.795 -6.614 5.023 611 HA TYR 75 HA TYR 75 5.615 -3.980 4.044 612 HB2 TYR 75 2HB TYR 75 4.070 -2.835 5.745 613 HB3 TYR 75 3HB TYR 75 3.294 -3.488 4.311 614 HD1 TYR 75 HD1 TYR 75 3.840 -4.123 7.979 615 HD2 TYR 75 HD2 TYR 75 1.544 -5.143 4.506 616 HE1 TYR 75 HE1 TYR 75 2.244 -5.351 9.381 617 HE2 TYR 75 HE2 TYR 75 -0.043 -6.364 5.930 618 HH TYR 75 HH TYR 75 -0.141 -7.422 8.089 619 H THR 76 H THR 76 6.947 -2.836 5.422 620 HA THR 76 HA THR 76 8.093 -4.365 7.685 621 HB THR 76 HB THR 76 9.477 -2.150 6.083 622 HG1 THR 76 HG1 THR 76 9.790 -3.604 4.598 623 HG21 THR 76 3HG2 THR 76 10.452 -2.574 8.326 624 HG22 THR 76 1HG2 THR 76 11.545 -3.122 7.051 625 HG23 THR 76 2HG2 THR 76 10.580 -4.293 7.949 626 H ILE 77 H ILE 77 7.593 -3.549 9.615 627 HA ILE 77 HA ILE 77 7.769 -0.668 10.126 628 HB ILE 77 HB ILE 77 5.755 -1.017 11.813 629 HG12 ILE 77 2HG1 ILE 77 5.188 -3.233 9.780 630 HG13 ILE 77 3HG1 ILE 77 5.400 -3.417 11.516 631 HG21 ILE 77 1HG2 ILE 77 5.729 0.602 9.965 632 HG22 ILE 77 2HG2 ILE 77 4.149 -0.149 10.186 633 HG23 ILE 77 3HG2 ILE 77 5.189 -0.662 8.856 634 HD11 ILE 77 3HD1 ILE 77 3.090 -2.060 10.132 635 HD12 ILE 77 1HD1 ILE 77 3.311 -2.171 11.881 636 HD13 ILE 77 2HD1 ILE 77 3.082 -3.636 10.928 637 H ARG 78 H ARG 78 9.136 -0.361 11.707 638 HA ARG 78 HA ARG 78 9.498 -2.296 13.905 639 HB2 ARG 78 2HB ARG 78 11.984 -1.934 13.748 640 HB3 ARG 78 3HB ARG 78 11.322 -2.789 12.364 641 HG2 ARG 78 2HG ARG 78 11.513 -0.829 10.957 642 HG3 ARG 78 3HG ARG 78 11.936 0.191 12.329 643 HD2 ARG 78 2HD ARG 78 14.051 -1.094 12.602 644 HD3 ARG 78 3HD ARG 78 13.620 -2.075 11.200 645 HE ARG 78 HE ARG 78 13.618 0.188 9.974 646 HH11 ARG 78 1HH1 ARG 78 15.847 -0.555 12.615 647 HH12 ARG 78 2HH1 ARG 78 17.079 0.511 12.021 648 HH21 ARG 78 1HH2 ARG 78 15.263 1.537 9.203 649 HH22 ARG 78 2HH2 ARG 78 16.750 1.698 10.087 650 H GLY 79 H GLY 79 10.174 -1.321 15.858 651 HA2 GLY 79 2HA GLY 79 11.073 0.947 16.746 652 HA3 GLY 79 3HA GLY 79 9.546 1.554 16.112 653 H SER 80 H SER 80 7.764 -0.300 16.704 654 HA SER 80 HA SER 80 7.370 -0.411 19.529 655 HB2 SER 80 2HB SER 80 5.488 -1.992 18.888 656 HB3 SER 80 3HB SER 80 5.459 -0.456 18.025 657 HG SER 80 HG SER 80 5.451 -2.828 16.968 658 H LEU 81 H LEU 81 8.975 -2.412 17.217 659 HA LEU 81 HA LEU 81 9.088 -4.829 18.832 660 HB2 LEU 81 2HB LEU 81 10.383 -4.174 16.155 661 HB3 LEU 81 3HB LEU 81 10.219 -5.775 16.859 662 HG LEU 81 HG LEU 81 7.910 -4.018 15.930 663 HD11 LEU 81 1HD1 LEU 81 9.215 -4.847 14.025 664 HD12 LEU 81 2HD1 LEU 81 7.640 -5.632 14.085 665 HD13 LEU 81 3HD1 LEU 81 9.079 -6.505 14.620 666 HD21 LEU 81 3HD2 LEU 81 7.885 -6.871 16.983 667 HD22 LEU 81 1HD2 LEU 81 6.495 -6.010 16.315 668 HD23 LEU 81 2HD2 LEU 81 7.245 -5.445 17.805 669 H GLU 82 H GLU 82 10.238 -2.970 20.348 670 HA GLU 82 HA GLU 82 13.125 -2.955 20.087 671 HB2 GLU 82 2HB GLU 82 13.069 -1.813 22.310 672 HB3 GLU 82 3HB GLU 82 12.078 -1.021 21.100 673 HG2 GLU 82 2HG GLU 82 10.798 -0.882 23.059 674 HG3 GLU 82 3HG GLU 82 10.079 -2.216 22.168 675 H HIS 83 H HIS 83 14.165 -3.648 22.497 676 HA HIS 83 HA HIS 83 14.146 -6.518 22.322 677 HB2 HIS 83 2HB HIS 83 15.617 -4.599 24.179 678 HB3 HIS 83 3HB HIS 83 15.774 -6.349 24.324 679 HD1 HIS 83 HD1 HIS 83 17.803 -7.172 23.196 680 HD2 HIS 83 HD2 HIS 83 16.232 -3.857 21.250 681 HE1 HIS 83 HE1 HIS 83 19.331 -6.746 21.251 682 HE2 HIS 83 HE2 HIS 83 18.382 -4.720 20.113 683 H HIS 84 H HIS 84 13.997 -4.933 25.490 684 HA HIS 84 HA HIS 84 11.338 -5.916 26.142 685 HB2 HIS 84 2HB HIS 84 13.825 -7.014 27.542 686 HB3 HIS 84 3HB HIS 84 12.220 -7.082 28.255 687 HD1 HIS 84 HD1 HIS 84 10.487 -8.669 27.083 688 HD2 HIS 84 HD2 HIS 84 14.395 -9.030 25.704 689 HE1 HIS 84 HE1 HIS 84 10.556 -10.825 25.799 690 HE2 HIS 84 HE2 HIS 84 12.894 -10.985 24.909 691 H HIS 85 H HIS 85 10.553 -4.062 26.904 692 HA HIS 85 HA HIS 85 12.027 -1.887 27.890 693 HB2 HIS 85 2HB HIS 85 9.757 -1.728 26.867 694 HB3 HIS 85 3HB HIS 85 9.065 -2.467 28.307 695 HD1 HIS 85 HD1 HIS 85 10.958 0.661 27.274 696 HD2 HIS 85 HD2 HIS 85 8.409 -0.650 30.288 697 HE1 HIS 85 HE1 HIS 85 10.454 2.689 28.664 698 HE2 HIS 85 HE2 HIS 85 8.879 1.888 30.444 699 H HIS 86 H HIS 86 10.485 -4.577 29.567 700 HA HIS 86 HA HIS 86 12.058 -3.966 31.992 701 HB2 HIS 86 2HB HIS 86 9.082 -4.633 31.965 702 HB3 HIS 86 3HB HIS 86 10.080 -4.852 33.395 703 HD1 HIS 86 HD1 HIS 86 7.813 -2.512 32.016 704 HD2 HIS 86 HD2 HIS 86 11.409 -2.207 34.081 705 HE1 HIS 86 HE1 HIS 86 7.855 -0.184 32.969 706 HE2 HIS 86 HE2 HIS 86 9.929 -0.120 34.391 707 H HIS 87 H HIS 87 11.840 -5.956 33.516 708 HA HIS 87 HA HIS 87 11.538 -8.558 32.366 709 HB2 HIS 87 2HB HIS 87 13.908 -9.277 32.526 710 HB3 HIS 87 3HB HIS 87 13.748 -7.964 31.365 711 HD1 HIS 87 HD1 HIS 87 15.613 -8.973 34.333 712 HD2 HIS 87 HD2 HIS 87 14.699 -5.387 32.440 713 HE1 HIS 87 HE1 HIS 87 17.290 -7.312 35.178 714 HE2 HIS 87 HE2 HIS 87 16.856 -5.231 33.858 715 H HIS 88 H HIS 88 12.801 -10.122 34.163 716 HA HIS 88 HA HIS 88 11.810 -9.393 36.773 717 HB2 HIS 88 2HB HIS 88 13.503 -11.781 35.878 718 HB3 HIS 88 3HB HIS 88 12.905 -11.558 37.520 719 HD1 HIS 88 HD1 HIS 88 10.034 -10.933 37.240 720 HD2 HIS 88 HD2 HIS 88 11.912 -13.656 34.725 721 HE1 HIS 88 HE1 HIS 88 8.210 -12.415 36.364 722 HE2 HIS 88 HE2 HIS 88 9.344 -13.918 34.707 Start of MODEL 15 1 H1 MET 1 1H MET 1 12.241 10.469 11.543 2 H2 MET 1 2H MET 1 11.622 9.264 10.533 3 H3 MET 1 3H MET 1 12.545 8.836 11.882 4 HA MET 1 HA MET 1 10.902 9.680 13.367 5 HB2 MET 1 2HB MET 1 8.783 10.574 12.606 6 HB3 MET 1 3HB MET 1 10.063 11.475 11.819 7 HG2 MET 1 2HG MET 1 9.676 10.131 9.748 8 HG3 MET 1 3HG MET 1 8.325 9.337 10.556 9 HE1 MET 1 3HE MET 1 7.100 11.913 12.238 10 HE2 MET 1 1HE MET 1 6.110 10.709 11.408 11 HE3 MET 1 2HE MET 1 5.872 12.425 11.082 12 H GLY 2 H GLY 2 10.824 7.680 10.527 13 HA2 GLY 2 2HA GLY 2 10.380 5.248 11.111 14 HA3 GLY 2 3HA GLY 2 8.820 5.838 11.670 15 H GLU 3 H GLU 3 10.615 4.773 9.006 16 HA GLU 3 HA GLU 3 8.672 5.649 6.990 17 HB2 GLU 3 2HB GLU 3 11.128 5.715 6.455 18 HB3 GLU 3 3HB GLU 3 11.218 3.972 6.680 19 HG2 GLU 3 2HG GLU 3 9.521 3.742 4.789 20 HG3 GLU 3 3HG GLU 3 9.707 5.471 4.505 21 H MET 4 H MET 4 7.373 4.169 5.882 22 HA MET 4 HA MET 4 7.519 1.284 6.532 23 HB2 MET 4 2HB MET 4 5.518 2.287 7.668 24 HB3 MET 4 3HB MET 4 4.964 2.918 6.125 25 HG2 MET 4 2HG MET 4 4.728 0.595 5.287 26 HG3 MET 4 3HG MET 4 5.230 -0.003 6.874 27 HE1 MET 4 3HE MET 4 3.101 -1.448 7.256 28 HE2 MET 4 1HE MET 4 2.555 -1.032 5.628 29 HE3 MET 4 2HE MET 4 1.459 -0.863 6.997 30 H ASP 5 H ASP 5 7.364 -0.021 4.676 31 HA ASP 5 HA ASP 5 6.766 1.296 2.109 32 HB2 ASP 5 2HB ASP 5 8.450 -0.184 1.029 33 HB3 ASP 5 3HB ASP 5 9.188 0.909 2.191 34 H ILE 6 H ILE 6 5.069 0.419 1.197 35 HA ILE 6 HA ILE 6 3.914 -2.097 2.244 36 HB ILE 6 HB ILE 6 2.484 0.223 0.852 37 HG12 ILE 6 2HG1 ILE 6 2.603 -0.390 3.840 38 HG13 ILE 6 3HG1 ILE 6 3.449 0.931 3.044 39 HG21 ILE 6 1HG2 ILE 6 0.409 -0.845 1.676 40 HG22 ILE 6 2HG2 ILE 6 1.359 -2.166 2.354 41 HG23 ILE 6 3HG2 ILE 6 1.312 -1.923 0.607 42 HD11 ILE 6 3HD1 ILE 6 1.269 1.877 2.385 43 HD12 ILE 6 1HD1 ILE 6 1.510 1.771 4.127 44 HD13 ILE 6 2HD1 ILE 6 0.472 0.603 3.315 45 H ARG 7 H ARG 7 4.164 -3.740 0.808 46 HA ARG 7 HA ARG 7 4.689 -3.081 -2.036 47 HB2 ARG 7 2HB ARG 7 6.674 -3.799 -0.584 48 HB3 ARG 7 3HB ARG 7 5.915 -5.378 -0.442 49 HG2 ARG 7 2HG ARG 7 6.141 -5.754 -2.840 50 HG3 ARG 7 3HG ARG 7 6.737 -4.109 -3.073 51 HD2 ARG 7 2HD ARG 7 8.653 -4.762 -1.469 52 HD3 ARG 7 3HD ARG 7 8.127 -6.431 -1.717 53 HE ARG 7 HE ARG 7 8.409 -5.571 -4.244 54 HH11 ARG 7 1HH1 ARG 7 10.601 -5.325 -1.487 55 HH12 ARG 7 2HH1 ARG 7 12.026 -5.341 -2.474 56 HH21 ARG 7 1HH2 ARG 7 10.299 -5.535 -5.509 57 HH22 ARG 7 2HH2 ARG 7 11.855 -5.460 -4.741 58 H PHE 8 H PHE 8 3.088 -3.779 -3.272 59 HA PHE 8 HA PHE 8 1.435 -6.117 -2.527 60 HB2 PHE 8 2HB PHE 8 0.929 -3.771 -4.416 61 HB3 PHE 8 3HB PHE 8 -0.097 -5.200 -4.387 62 HD1 PHE 8 HD2 PHE 8 -1.494 -5.704 -2.402 63 HD2 PHE 8 HD1 PHE 8 0.762 -2.077 -2.688 64 HE1 PHE 8 HE2 PHE 8 -2.859 -4.710 -0.617 65 HE2 PHE 8 HE1 PHE 8 -0.603 -1.108 -0.906 66 HZ PHE 8 HZ PHE 8 -2.414 -2.410 0.132 67 H ARG 9 H ARG 9 1.805 -7.917 -3.623 68 HA ARG 9 HA ARG 9 3.032 -7.826 -6.312 69 HB2 ARG 9 2HB ARG 9 4.666 -8.454 -4.468 70 HB3 ARG 9 3HB ARG 9 3.663 -9.857 -4.122 71 HG2 ARG 9 2HG ARG 9 4.100 -10.730 -6.393 72 HG3 ARG 9 3HG ARG 9 5.094 -9.311 -6.742 73 HD2 ARG 9 2HD ARG 9 6.638 -9.962 -4.907 74 HD3 ARG 9 3HD ARG 9 5.645 -11.393 -4.601 75 HE ARG 9 HE ARG 9 6.559 -11.222 -7.314 76 HH11 ARG 9 1HH1 ARG 9 7.504 -12.282 -4.095 77 HH12 ARG 9 2HH1 ARG 9 8.660 -13.429 -4.684 78 HH21 ARG 9 1HH2 ARG 9 8.092 -12.696 -8.065 79 HH22 ARG 9 2HH2 ARG 9 8.991 -13.662 -6.939 80 H GLY 10 H GLY 10 1.632 -8.682 -7.718 81 HA2 GLY 10 2HA GLY 10 0.086 -11.066 -7.209 82 HA3 GLY 10 3HA GLY 10 -0.890 -9.597 -7.212 83 H ASP 11 H ASP 11 -1.122 -11.768 -8.995 84 HA ASP 11 HA ASP 11 0.335 -11.676 -11.381 85 HB2 ASP 11 2HB ASP 11 -0.911 -13.648 -10.646 86 HB3 ASP 11 3HB ASP 11 -2.439 -12.791 -10.796 87 H ASP 12 H ASP 12 -2.442 -9.798 -10.397 88 HA ASP 12 HA ASP 12 -2.952 -8.855 -13.153 89 HB2 ASP 12 2HB ASP 12 -4.877 -9.806 -11.739 90 HB3 ASP 12 3HB ASP 12 -4.736 -8.379 -10.724 91 H LEU 13 H LEU 13 -1.799 -7.105 -13.639 92 HA LEU 13 HA LEU 13 -0.486 -5.381 -11.865 93 HB2 LEU 13 2HB LEU 13 0.270 -5.723 -14.162 94 HB3 LEU 13 3HB LEU 13 -1.203 -5.010 -14.790 95 HG LEU 13 HG LEU 13 -0.520 -2.793 -13.848 96 HD11 LEU 13 1HD1 LEU 13 1.767 -2.416 -13.037 97 HD12 LEU 13 2HD1 LEU 13 2.078 -4.154 -13.080 98 HD13 LEU 13 3HD1 LEU 13 0.863 -3.498 -11.978 99 HD21 LEU 13 3HD2 LEU 13 1.509 -4.035 -15.728 100 HD22 LEU 13 1HD2 LEU 13 1.237 -2.305 -15.494 101 HD23 LEU 13 2HD2 LEU 13 -0.037 -3.310 -16.179 102 H GLU 14 H GLU 14 -3.710 -5.147 -13.263 103 HA GLU 14 HA GLU 14 -4.018 -2.323 -12.683 104 HB2 GLU 14 2HB GLU 14 -6.060 -4.378 -13.625 105 HB3 GLU 14 3HB GLU 14 -6.382 -2.657 -13.444 106 HG2 GLU 14 2HG GLU 14 -4.406 -3.914 -15.368 107 HG3 GLU 14 3HG GLU 14 -5.967 -3.205 -15.781 108 H ALA 15 H ALA 15 -4.768 -5.388 -11.139 109 HA ALA 15 HA ALA 15 -6.435 -4.462 -9.033 110 HB1 ALA 15 3HB ALA 15 -4.526 -6.829 -9.215 111 HB2 ALA 15 1HB ALA 15 -6.255 -6.835 -9.567 112 HB3 ALA 15 2HB ALA 15 -5.690 -6.587 -7.917 113 H LEU 16 H LEU 16 -2.925 -4.692 -9.488 114 HA LEU 16 HA LEU 16 -2.082 -3.778 -6.936 115 HB2 LEU 16 2HB LEU 16 -0.630 -3.484 -9.598 116 HB3 LEU 16 3HB LEU 16 0.101 -3.329 -8.008 117 HG LEU 16 HG LEU 16 -1.027 -5.886 -9.207 118 HD11 LEU 16 1HD1 LEU 16 1.851 -5.077 -8.710 119 HD12 LEU 16 2HD1 LEU 16 1.048 -5.186 -10.280 120 HD13 LEU 16 3HD1 LEU 16 1.296 -6.642 -9.321 121 HD21 LEU 16 3HD2 LEU 16 -1.343 -5.872 -6.778 122 HD22 LEU 16 1HD2 LEU 16 0.366 -5.495 -6.535 123 HD23 LEU 16 2HD2 LEU 16 -0.112 -7.042 -7.244 124 H GLU 17 H GLU 17 -2.899 -2.154 -9.979 125 HA GLU 17 HA GLU 17 -2.157 0.488 -9.306 126 HB2 GLU 17 2HB GLU 17 -4.050 -0.659 -11.387 127 HB3 GLU 17 3HB GLU 17 -3.795 1.072 -11.236 128 HG2 GLU 17 2HG GLU 17 -1.551 -0.901 -11.740 129 HG3 GLU 17 3HG GLU 17 -2.430 -0.075 -13.023 130 H LYS 18 H LYS 18 -5.230 -1.273 -8.862 131 HA LYS 18 HA LYS 18 -6.715 1.007 -7.919 132 HB2 LYS 18 2HB LYS 18 -7.262 -1.960 -8.004 133 HB3 LYS 18 3HB LYS 18 -8.207 -0.985 -6.893 134 HG2 LYS 18 2HG LYS 18 -9.521 -1.196 -8.835 135 HG3 LYS 18 3HG LYS 18 -8.886 0.447 -8.876 136 HD2 LYS 18 2HD LYS 18 -7.250 -0.176 -10.562 137 HD3 LYS 18 3HD LYS 18 -7.677 -1.880 -10.401 138 HE2 LYS 18 2HE LYS 18 -9.584 0.256 -11.405 139 HE3 LYS 18 3HE LYS 18 -8.624 -0.795 -12.450 140 HZ1 LYS 18 3HZ LYS 18 -10.674 -1.693 -10.494 141 HZ2 LYS 18 1HZ LYS 18 -9.731 -2.712 -11.470 142 HZ3 LYS 18 2HZ LYS 18 -10.849 -1.659 -12.174 143 H ALA 19 H ALA 19 -4.869 -1.626 -6.366 144 HA ALA 19 HA ALA 19 -5.375 -0.935 -3.669 145 HB1 ALA 19 3HB ALA 19 -3.378 -2.286 -3.153 146 HB2 ALA 19 1HB ALA 19 -2.932 -2.300 -4.864 147 HB3 ALA 19 2HB ALA 19 -4.406 -3.110 -4.328 148 H LEU 20 H LEU 20 -2.799 -0.012 -5.932 149 HA LEU 20 HA LEU 20 -1.275 1.721 -4.372 150 HB2 LEU 20 2HB LEU 20 -0.561 0.829 -6.541 151 HB3 LEU 20 3HB LEU 20 -1.821 1.720 -7.367 152 HG LEU 20 HG LEU 20 -0.683 3.843 -6.940 153 HD11 LEU 20 1HD1 LEU 20 0.228 3.415 -4.721 154 HD12 LEU 20 2HD1 LEU 20 1.479 3.996 -5.816 155 HD13 LEU 20 3HD1 LEU 20 1.403 2.282 -5.396 156 HD21 LEU 20 3HD2 LEU 20 1.284 1.782 -7.987 157 HD22 LEU 20 1HD2 LEU 20 1.330 3.524 -8.285 158 HD23 LEU 20 2HD2 LEU 20 0.003 2.556 -8.923 159 H LYS 21 H LYS 21 -4.081 2.398 -6.457 160 HA LYS 21 HA LYS 21 -4.370 5.149 -6.173 161 HB2 LYS 21 2HB LYS 21 -5.793 3.970 -7.722 162 HB3 LYS 21 3HB LYS 21 -6.433 2.931 -6.457 163 HG2 LYS 21 2HG LYS 21 -7.620 4.894 -5.468 164 HG3 LYS 21 3HG LYS 21 -6.991 5.905 -6.771 165 HD2 LYS 21 2HD LYS 21 -9.318 5.239 -7.209 166 HD3 LYS 21 3HD LYS 21 -8.232 4.571 -8.431 167 HE2 LYS 21 2HE LYS 21 -9.925 2.920 -7.739 168 HE3 LYS 21 3HE LYS 21 -8.311 2.374 -7.279 169 HZ1 LYS 21 3HZ LYS 21 -8.757 3.150 -5.023 170 HZ2 LYS 21 1HZ LYS 21 -9.907 2.022 -5.518 171 HZ3 LYS 21 2HZ LYS 21 -10.302 3.656 -5.483 172 H GLU 22 H GLU 22 -5.559 2.519 -4.109 173 HA GLU 22 HA GLU 22 -6.847 4.154 -2.193 174 HB2 GLU 22 2HB GLU 22 -5.943 1.264 -2.136 175 HB3 GLU 22 3HB GLU 22 -6.718 2.018 -0.753 176 HG2 GLU 22 2HG GLU 22 -7.932 1.693 -3.506 177 HG3 GLU 22 3HG GLU 22 -8.334 0.750 -2.072 178 H MET 23 H MET 23 -3.539 2.651 -2.168 179 HA MET 23 HA MET 23 -3.072 3.498 0.549 180 HB2 MET 23 2HB MET 23 -0.969 2.578 -1.453 181 HB3 MET 23 3HB MET 23 -0.807 2.649 0.301 182 HG2 MET 23 2HG MET 23 -2.544 0.791 -1.314 183 HG3 MET 23 3HG MET 23 -1.206 0.376 -0.254 184 HE1 MET 23 3HE MET 23 -2.770 0.744 3.289 185 HE2 MET 23 1HE MET 23 -1.683 1.853 2.453 186 HE3 MET 23 2HE MET 23 -1.421 0.112 2.347 187 H ILE 24 H ILE 24 -2.331 4.960 -2.589 188 HA ILE 24 HA ILE 24 -0.860 7.190 -1.618 189 HB ILE 24 HB ILE 24 -2.701 6.963 -4.056 190 HG12 ILE 24 2HG1 ILE 24 0.349 6.907 -3.843 191 HG13 ILE 24 3HG1 ILE 24 -0.684 5.526 -4.182 192 HG21 ILE 24 1HG2 ILE 24 -1.694 9.070 -4.896 193 HG22 ILE 24 2HG2 ILE 24 -0.816 9.254 -3.378 194 HG23 ILE 24 3HG2 ILE 24 -2.577 9.333 -3.390 195 HD11 ILE 24 3HD1 ILE 24 0.386 6.291 -6.199 196 HD12 ILE 24 1HD1 ILE 24 -0.264 7.916 -5.977 197 HD13 ILE 24 2HD1 ILE 24 -1.351 6.566 -6.307 198 H ARG 25 H ARG 25 -4.339 6.640 -2.189 199 HA ARG 25 HA ARG 25 -5.439 9.031 -1.287 200 HB2 ARG 25 2HB ARG 25 -6.793 7.471 -2.519 201 HB3 ARG 25 3HB ARG 25 -6.487 6.185 -1.368 202 HG2 ARG 25 2HG ARG 25 -7.888 7.355 0.309 203 HG3 ARG 25 3HG ARG 25 -8.221 8.621 -0.874 204 HD2 ARG 25 2HD ARG 25 -9.315 6.968 -2.350 205 HD3 ARG 25 3HD ARG 25 -8.948 5.682 -1.190 206 HE ARG 25 HE ARG 25 -10.473 7.891 -0.106 207 HH11 ARG 25 1HH1 ARG 25 -10.729 4.738 -1.683 208 HH12 ARG 25 2HH1 ARG 25 -12.344 4.461 -1.109 209 HH21 ARG 25 1HH2 ARG 25 -12.565 7.466 0.672 210 HH22 ARG 25 2HH2 ARG 25 -13.373 6.000 0.222 211 H GLN 26 H GLN 26 -4.415 6.204 0.616 212 HA GLN 26 HA GLN 26 -5.574 7.145 3.083 213 HB2 GLN 26 2HB GLN 26 -3.343 5.083 2.913 214 HB3 GLN 26 3HB GLN 26 -4.531 5.280 4.185 215 HG2 GLN 26 2HG GLN 26 -4.870 4.010 1.472 216 HG3 GLN 26 3HG GLN 26 -5.160 3.311 3.056 217 HE21 GLN 26 1HE2 GLN 26 -6.919 3.331 0.734 218 HE22 GLN 26 2HE2 GLN 26 -8.374 4.130 1.205 219 H ALA 27 H ALA 27 -2.307 7.126 1.644 220 HA ALA 27 HA ALA 27 -0.882 8.498 3.648 221 HB1 ALA 27 3HB ALA 27 -0.456 8.573 0.635 222 HB2 ALA 27 1HB ALA 27 0.208 7.367 1.741 223 HB3 ALA 27 2HB ALA 27 0.732 9.049 1.852 224 H ARG 28 H ARG 28 -3.045 9.651 1.137 225 HA ARG 28 HA ARG 28 -2.442 12.445 1.347 226 HB2 ARG 28 2HB ARG 28 -4.786 10.954 0.099 227 HB3 ARG 28 3HB ARG 28 -4.611 12.702 0.014 228 HG2 ARG 28 2HG ARG 28 -2.576 10.738 -1.087 229 HG3 ARG 28 3HG ARG 28 -3.852 11.475 -2.043 230 HD2 ARG 28 2HD ARG 28 -2.902 13.716 -1.541 231 HD3 ARG 28 3HD ARG 28 -1.603 12.943 -0.628 232 HE ARG 28 HE ARG 28 -1.191 11.746 -2.894 233 HH11 ARG 28 1HH1 ARG 28 -2.127 15.121 -2.544 234 HH12 ARG 28 2HH1 ARG 28 -1.350 15.608 -4.015 235 HH21 ARG 28 1HH2 ARG 28 -0.183 12.411 -4.821 236 HH22 ARG 28 2HH2 ARG 28 -0.250 14.075 -5.297 237 H LYS 29 H LYS 29 -4.995 10.303 2.717 238 HA LYS 29 HA LYS 29 -6.495 12.444 3.897 239 HB2 LYS 29 2HB LYS 29 -7.905 10.794 4.882 240 HB3 LYS 29 3HB LYS 29 -7.407 10.103 3.346 241 HG2 LYS 29 2HG LYS 29 -5.710 8.742 4.552 242 HG3 LYS 29 3HG LYS 29 -6.298 9.395 6.079 243 HD2 LYS 29 2HD LYS 29 -8.533 8.373 5.615 244 HD3 LYS 29 3HD LYS 29 -7.887 7.687 4.119 245 HE2 LYS 29 2HE LYS 29 -6.192 6.445 5.490 246 HE3 LYS 29 3HE LYS 29 -6.978 7.051 6.949 247 HZ1 LYS 29 3HZ LYS 29 -9.002 5.925 6.274 248 HZ2 LYS 29 1HZ LYS 29 -7.715 4.835 6.393 249 HZ3 LYS 29 2HZ LYS 29 -8.242 5.356 4.878 250 H PHE 30 H PHE 30 -3.747 10.557 4.919 251 HA PHE 30 HA PHE 30 -3.767 11.517 7.678 252 HB2 PHE 30 2HB PHE 30 -1.897 9.713 6.090 253 HB3 PHE 30 3HB PHE 30 -1.498 10.254 7.715 254 HD1 PHE 30 HD1 PHE 30 -3.647 9.972 9.409 255 HD2 PHE 30 HD2 PHE 30 -2.765 7.520 6.010 256 HE1 PHE 30 HE1 PHE 30 -4.869 8.101 10.427 257 HE2 PHE 30 HE2 PHE 30 -4.004 5.661 7.039 258 HZ PHE 30 HZ PHE 30 -5.046 5.951 9.244 259 H ALA 31 H ALA 31 -2.662 12.709 4.703 260 HA ALA 31 HA ALA 31 -1.286 14.324 3.971 261 HB1 ALA 31 3HB ALA 31 -2.475 15.765 5.585 262 HB2 ALA 31 1HB ALA 31 -0.793 16.261 5.390 263 HB3 ALA 31 2HB ALA 31 -1.289 15.362 6.826 264 H GLY 32 H GLY 32 0.173 12.537 3.613 265 HA2 GLY 32 2HA GLY 32 2.825 13.035 4.845 266 HA3 GLY 32 3HA GLY 32 2.218 11.383 4.685 267 H THR 33 H THR 33 4.293 11.268 3.384 268 HA THR 33 HA THR 33 3.956 12.211 0.599 269 HB THR 33 HB THR 33 6.486 11.475 2.148 270 HG1 THR 33 HG1 THR 33 6.685 13.901 1.280 271 HG21 THR 33 3HG2 THR 33 6.750 10.848 -0.240 272 HG22 THR 33 1HG2 THR 33 7.759 12.241 0.172 273 HG23 THR 33 2HG2 THR 33 6.256 12.472 -0.719 274 H VAL 34 H VAL 34 4.030 10.659 -1.049 275 HA VAL 34 HA VAL 34 4.416 7.831 -0.311 276 HB VAL 34 HB VAL 34 1.989 8.244 -0.274 277 HG11 VAL 34 1HG1 VAL 34 1.841 10.164 -1.783 278 HG12 VAL 34 2HG1 VAL 34 0.711 8.898 -2.263 279 HG13 VAL 34 3HG1 VAL 34 2.210 9.130 -3.166 280 HG21 VAL 34 3HG2 VAL 34 1.249 6.465 -1.827 281 HG22 VAL 34 1HG2 VAL 34 2.741 6.023 -0.993 282 HG23 VAL 34 2HG2 VAL 34 2.795 6.556 -2.675 283 H THR 35 H THR 35 5.492 6.663 -1.762 284 HA THR 35 HA THR 35 6.006 7.618 -4.523 285 HB THR 35 HB THR 35 8.067 6.387 -2.609 286 HG1 THR 35 HG1 THR 35 7.446 9.021 -3.303 287 HG21 THR 35 3HG2 THR 35 8.538 5.742 -4.953 288 HG22 THR 35 1HG2 THR 35 9.751 6.872 -4.344 289 HG23 THR 35 2HG2 THR 35 8.485 7.439 -5.436 290 H TYR 36 H TYR 36 6.509 5.732 -5.988 291 HA TYR 36 HA TYR 36 6.215 3.053 -4.882 292 HB2 TYR 36 2HB TYR 36 4.398 2.371 -6.369 293 HB3 TYR 36 3HB TYR 36 3.872 3.687 -5.335 294 HD1 TYR 36 HD2 TYR 36 3.365 5.923 -6.298 295 HD2 TYR 36 HD1 TYR 36 4.600 2.688 -8.824 296 HE1 TYR 36 HE2 TYR 36 2.580 7.160 -8.278 297 HE2 TYR 36 HE1 TYR 36 3.807 3.933 -10.791 298 HH TYR 36 HH TYR 36 2.210 5.701 -11.327 299 H THR 37 H THR 37 6.825 1.389 -6.322 300 HA THR 37 HA THR 37 8.041 2.138 -8.917 301 HB THR 37 HB THR 37 9.244 0.248 -6.838 302 HG1 THR 37 HG1 THR 37 9.764 2.896 -7.628 303 HG21 THR 37 3HG2 THR 37 9.730 -0.595 -9.103 304 HG22 THR 37 1HG2 THR 37 11.192 0.087 -8.383 305 HG23 THR 37 2HG2 THR 37 10.296 1.002 -9.596 306 H LEU 38 H LEU 38 6.831 1.128 -10.422 307 HA LEU 38 HA LEU 38 5.586 -1.490 -9.987 308 HB2 LEU 38 2HB LEU 38 5.536 0.429 -12.354 309 HB3 LEU 38 3HB LEU 38 4.678 -1.102 -12.327 310 HG LEU 38 HG LEU 38 4.119 1.198 -10.415 311 HD11 LEU 38 1HD1 LEU 38 2.090 1.606 -11.744 312 HD12 LEU 38 2HD1 LEU 38 2.610 0.398 -12.922 313 HD13 LEU 38 3HD1 LEU 38 3.555 1.872 -12.687 314 HD21 LEU 38 3HD2 LEU 38 3.523 -0.973 -9.477 315 HD22 LEU 38 1HD2 LEU 38 2.590 -1.372 -10.928 316 HD23 LEU 38 2HD2 LEU 38 2.072 -0.052 -9.875 317 H ASP 39 H ASP 39 6.458 -3.357 -10.769 318 HA ASP 39 HA ASP 39 8.022 -3.440 -13.210 319 HB2 ASP 39 2HB ASP 39 9.798 -3.096 -11.482 320 HB3 ASP 39 3HB ASP 39 9.223 -4.507 -10.599 321 H GLY 40 H GLY 40 6.529 -4.733 -14.167 322 HA2 GLY 40 2HA GLY 40 5.469 -6.647 -14.808 323 HA3 GLY 40 3HA GLY 40 6.469 -7.524 -13.660 324 H ASN 41 H ASN 41 5.580 -8.211 -11.807 325 HA ASN 41 HA ASN 41 2.744 -7.582 -11.192 326 HB2 ASN 41 2HB ASN 41 4.337 -10.144 -10.726 327 HB3 ASN 41 3HB ASN 41 2.706 -9.874 -10.123 328 HD21 ASN 41 1HD2 ASN 41 1.603 -8.584 -12.395 329 HD22 ASN 41 2HD2 ASN 41 1.496 -9.759 -13.654 330 H ASP 42 H ASP 42 5.477 -6.419 -10.232 331 HA ASP 42 HA ASP 42 4.967 -6.665 -7.313 332 HB2 ASP 42 2HB ASP 42 7.144 -7.669 -8.059 333 HB3 ASP 42 3HB ASP 42 7.635 -6.105 -8.697 334 H LEU 43 H LEU 43 4.604 -4.866 -6.254 335 HA LEU 43 HA LEU 43 5.126 -2.175 -7.381 336 HB2 LEU 43 2HB LEU 43 2.769 -2.520 -7.726 337 HB3 LEU 43 3HB LEU 43 2.580 -3.331 -6.181 338 HG LEU 43 HG LEU 43 2.957 -1.134 -5.016 339 HD11 LEU 43 1HD1 LEU 43 2.803 0.969 -6.241 340 HD12 LEU 43 2HD1 LEU 43 2.844 0.096 -7.772 341 HD13 LEU 43 3HD1 LEU 43 4.240 0.055 -6.695 342 HD21 LEU 43 3HD2 LEU 43 0.735 -0.245 -5.434 343 HD22 LEU 43 1HD2 LEU 43 0.705 -2.007 -5.406 344 HD23 LEU 43 2HD2 LEU 43 0.628 -1.150 -6.948 345 H GLU 44 H GLU 44 6.611 -1.303 -6.000 346 HA GLU 44 HA GLU 44 6.448 -1.858 -3.089 347 HB2 GLU 44 2HB GLU 44 8.598 -2.467 -4.178 348 HB3 GLU 44 3HB GLU 44 8.792 -0.805 -4.729 349 HG2 GLU 44 2HG GLU 44 8.894 -0.058 -2.341 350 HG3 GLU 44 3HG GLU 44 8.774 -1.742 -1.834 351 H ILE 45 H ILE 45 5.090 -0.350 -2.309 352 HA ILE 45 HA ILE 45 5.267 2.508 -3.004 353 HB ILE 45 HB ILE 45 3.460 1.083 -0.980 354 HG12 ILE 45 2HG1 ILE 45 2.711 1.939 -3.808 355 HG13 ILE 45 3HG1 ILE 45 3.116 0.290 -3.349 356 HG21 ILE 45 1HG2 ILE 45 2.048 3.103 -1.031 357 HG22 ILE 45 2HG2 ILE 45 3.184 3.873 -2.138 358 HG23 ILE 45 3HG2 ILE 45 3.688 3.483 -0.493 359 HD11 ILE 45 3HD1 ILE 45 0.731 0.573 -3.507 360 HD12 ILE 45 1HD1 ILE 45 0.768 1.882 -2.326 361 HD13 ILE 45 2HD1 ILE 45 1.193 0.239 -1.839 362 H ARG 46 H ARG 46 6.219 4.017 -1.565 363 HA ARG 46 HA ARG 46 6.948 3.121 1.176 364 HB2 ARG 46 2HB ARG 46 8.590 4.962 -0.625 365 HB3 ARG 46 3HB ARG 46 8.961 4.593 1.054 366 HG2 ARG 46 2HG ARG 46 9.288 2.210 0.438 367 HG3 ARG 46 3HG ARG 46 8.967 2.617 -1.249 368 HD2 ARG 46 2HD ARG 46 11.275 3.623 0.450 369 HD3 ARG 46 3HD ARG 46 11.366 2.465 -0.880 370 HE ARG 46 HE ARG 46 10.413 5.212 -1.383 371 HH11 ARG 46 1HH1 ARG 46 12.899 2.762 -1.965 372 HH12 ARG 46 2HH1 ARG 46 13.635 3.672 -3.244 373 HH21 ARG 46 1HH2 ARG 46 11.420 6.371 -3.045 374 HH22 ARG 46 2HH2 ARG 46 12.797 5.700 -3.850 375 H ILE 47 H ILE 47 5.886 4.234 2.606 376 HA ILE 47 HA ILE 47 4.969 7.005 2.098 377 HB ILE 47 HB ILE 47 3.701 4.946 3.966 378 HG12 ILE 47 2HG1 ILE 47 2.750 6.024 1.273 379 HG13 ILE 47 3HG1 ILE 47 3.287 4.383 1.602 380 HG21 ILE 47 1HG2 ILE 47 1.898 6.614 4.303 381 HG22 ILE 47 2HG2 ILE 47 2.781 7.771 3.305 382 HG23 ILE 47 3HG2 ILE 47 3.458 7.241 4.847 383 HD11 ILE 47 3HD1 ILE 47 0.900 4.459 1.410 384 HD12 ILE 47 1HD1 ILE 47 0.788 5.690 2.668 385 HD13 ILE 47 2HD1 ILE 47 1.347 4.064 3.068 386 H THR 48 H THR 48 5.847 8.504 3.321 387 HA THR 48 HA THR 48 7.100 7.941 5.929 388 HB THR 48 HB THR 48 8.467 9.564 3.725 389 HG1 THR 48 HG1 THR 48 8.665 6.833 4.388 390 HG21 THR 48 3HG2 THR 48 9.175 10.206 6.014 391 HG22 THR 48 1HG2 THR 48 10.488 9.414 5.131 392 HG23 THR 48 2HG2 THR 48 9.581 8.523 6.353 393 H GLY 49 H GLY 49 7.376 9.956 7.191 394 HA2 GLY 49 2HA GLY 49 6.914 12.185 7.745 395 HA3 GLY 49 3HA GLY 49 5.897 12.345 6.321 396 H VAL 50 H VAL 50 5.307 9.498 8.048 397 HA VAL 50 HA VAL 50 2.988 10.628 9.495 398 HB VAL 50 HB VAL 50 1.775 8.491 8.999 399 HG11 VAL 50 1HG1 VAL 50 1.330 10.437 7.579 400 HG12 VAL 50 2HG1 VAL 50 1.217 8.954 6.630 401 HG13 VAL 50 3HG1 VAL 50 2.647 9.982 6.495 402 HG21 VAL 50 3HG2 VAL 50 4.101 7.846 7.144 403 HG22 VAL 50 1HG2 VAL 50 2.593 6.930 7.257 404 HG23 VAL 50 2HG2 VAL 50 3.694 6.994 8.634 405 HA PRO 51 HA PRO 51 4.852 8.584 13.119 406 HB2 PRO 51 2HB PRO 51 2.596 8.440 14.744 407 HB3 PRO 51 3HB PRO 51 3.551 9.916 14.510 408 HG2 PRO 51 2HG PRO 51 0.990 9.111 13.196 409 HG3 PRO 51 3HG PRO 51 1.482 10.702 13.812 410 HD2 PRO 51 2HD PRO 51 1.562 10.107 11.162 411 HD3 PRO 51 3HD PRO 51 2.745 11.203 11.911 412 H GLU 52 H GLU 52 4.395 6.638 14.586 413 HA GLU 52 HA GLU 52 4.288 4.347 12.911 414 HB2 GLU 52 2HB GLU 52 5.757 4.442 14.902 415 HB3 GLU 52 3HB GLU 52 4.344 4.463 15.958 416 HG2 GLU 52 2HG GLU 52 3.693 2.219 15.063 417 HG3 GLU 52 3HG GLU 52 5.172 2.196 14.105 418 H GLN 53 H GLN 53 2.011 5.681 15.304 419 HA GLN 53 HA GLN 53 0.085 3.688 15.434 420 HB2 GLN 53 2HB GLN 53 -1.557 5.490 15.962 421 HB3 GLN 53 3HB GLN 53 -0.057 5.667 16.861 422 HG2 GLN 53 2HG GLN 53 0.644 7.530 15.551 423 HG3 GLN 53 3HG GLN 53 -0.584 7.232 14.321 424 HE21 GLN 53 1HE2 GLN 53 -2.731 7.880 14.728 425 HE22 GLN 53 2HE2 GLN 53 -3.135 8.981 15.998 426 H VAL 54 H VAL 54 0.633 6.101 12.964 427 HA VAL 54 HA VAL 54 -1.684 5.578 11.367 428 HB VAL 54 HB VAL 54 0.885 7.141 10.876 429 HG11 VAL 54 1HG1 VAL 54 -0.218 8.129 8.884 430 HG12 VAL 54 2HG1 VAL 54 -1.534 6.965 9.054 431 HG13 VAL 54 3HG1 VAL 54 0.099 6.404 8.688 432 HG21 VAL 54 3HG2 VAL 54 -1.959 8.073 11.404 433 HG22 VAL 54 1HG2 VAL 54 -0.558 9.120 11.145 434 HG23 VAL 54 2HG2 VAL 54 -0.638 8.085 12.573 435 H ARG 55 H ARG 55 1.783 4.681 11.198 436 HA ARG 55 HA ARG 55 1.726 3.307 8.737 437 HB2 ARG 55 2HB ARG 55 3.577 2.960 11.134 438 HB3 ARG 55 3HB ARG 55 3.839 2.185 9.574 439 HG2 ARG 55 2HG ARG 55 3.900 4.469 8.522 440 HG3 ARG 55 3HG ARG 55 3.818 5.167 10.138 441 HD2 ARG 55 2HD ARG 55 6.016 3.308 9.166 442 HD3 ARG 55 3HD ARG 55 6.129 5.067 9.194 443 HE ARG 55 HE ARG 55 5.841 4.896 11.668 444 HH11 ARG 55 1HH1 ARG 55 7.180 2.136 9.912 445 HH12 ARG 55 2HH1 ARG 55 8.053 1.539 11.284 446 HH21 ARG 55 1HH2 ARG 55 7.064 4.143 13.417 447 HH22 ARG 55 2HH2 ARG 55 7.986 2.683 13.275 448 H LYS 56 H LYS 56 0.954 2.222 12.016 449 HA LYS 56 HA LYS 56 0.521 -0.502 11.493 450 HB2 LYS 56 2HB LYS 56 -0.896 1.281 13.522 451 HB3 LYS 56 3HB LYS 56 -0.929 -0.478 13.530 452 HG2 LYS 56 2HG LYS 56 1.554 1.227 13.891 453 HG3 LYS 56 3HG LYS 56 0.660 0.446 15.190 454 HD2 LYS 56 2HD LYS 56 1.246 -1.766 14.331 455 HD3 LYS 56 3HD LYS 56 2.014 -1.056 12.908 456 HE2 LYS 56 2HE LYS 56 3.652 -1.810 14.639 457 HE3 LYS 56 3HE LYS 56 3.777 -0.086 14.285 458 HZ1 LYS 56 3HZ LYS 56 3.889 -0.528 16.657 459 HZ2 LYS 56 1HZ LYS 56 2.371 -1.275 16.621 460 HZ3 LYS 56 2HZ LYS 56 2.511 0.375 16.293 461 H GLU 57 H GLU 57 -1.721 2.301 11.246 462 HA GLU 57 HA GLU 57 -4.037 0.844 10.531 463 HB2 GLU 57 2HB GLU 57 -3.370 3.731 9.788 464 HB3 GLU 57 3HB GLU 57 -4.970 3.001 9.754 465 HG2 GLU 57 2HG GLU 57 -3.275 3.580 12.188 466 HG3 GLU 57 3HG GLU 57 -4.776 4.371 11.729 467 H LEU 58 H LEU 58 -1.473 2.302 8.563 468 HA LEU 58 HA LEU 58 -2.473 1.822 5.995 469 HB2 LEU 58 2HB LEU 58 0.276 2.276 7.133 470 HB3 LEU 58 3HB LEU 58 0.179 1.661 5.499 471 HG LEU 58 HG LEU 58 0.445 4.044 5.367 472 HD11 LEU 58 1HD1 LEU 58 -2.445 3.380 4.730 473 HD12 LEU 58 2HD1 LEU 58 -1.042 3.108 3.687 474 HD13 LEU 58 3HD1 LEU 58 -1.520 4.750 4.099 475 HD21 LEU 58 3HD2 LEU 58 -0.301 4.686 7.592 476 HD22 LEU 58 1HD2 LEU 58 -1.979 4.365 7.148 477 HD23 LEU 58 2HD2 LEU 58 -1.085 5.670 6.358 478 H ALA 59 H ALA 59 -0.792 -0.323 8.246 479 HA ALA 59 HA ALA 59 -0.216 -2.471 6.521 480 HB1 ALA 59 3HB ALA 59 -0.025 -3.813 8.573 481 HB2 ALA 59 1HB ALA 59 -0.814 -2.534 9.498 482 HB3 ALA 59 2HB ALA 59 0.765 -2.248 8.764 483 H LYS 60 H LYS 60 -3.059 -1.802 8.582 484 HA LYS 60 HA LYS 60 -4.388 -4.283 8.088 485 HB2 LYS 60 2HB LYS 60 -5.320 -1.660 9.313 486 HB3 LYS 60 3HB LYS 60 -6.437 -2.993 9.064 487 HG2 LYS 60 2HG LYS 60 -5.647 -2.930 11.384 488 HG3 LYS 60 3HG LYS 60 -5.126 -4.414 10.585 489 HD2 LYS 60 2HD LYS 60 -2.871 -3.535 10.319 490 HD3 LYS 60 3HD LYS 60 -3.373 -1.963 10.940 491 HE2 LYS 60 2HE LYS 60 -2.124 -3.206 12.632 492 HE3 LYS 60 3HE LYS 60 -3.794 -2.976 13.154 493 HZ1 LYS 60 3HZ LYS 60 -3.053 -5.213 13.610 494 HZ2 LYS 60 1HZ LYS 60 -2.643 -5.460 11.989 495 HZ3 LYS 60 2HZ LYS 60 -4.260 -5.257 12.426 496 H GLU 61 H GLU 61 -4.563 -1.073 6.604 497 HA GLU 61 HA GLU 61 -6.805 -1.602 4.894 498 HB2 GLU 61 2HB GLU 61 -4.622 0.515 4.588 499 HB3 GLU 61 3HB GLU 61 -6.168 0.493 3.736 500 HG2 GLU 61 2HG GLU 61 -7.326 0.615 5.959 501 HG3 GLU 61 3HG GLU 61 -5.747 0.819 6.712 502 H ALA 62 H ALA 62 -3.289 -1.834 4.556 503 HA ALA 62 HA ALA 62 -3.125 -2.554 1.848 504 HB1 ALA 62 3HB ALA 62 -0.897 -3.301 2.365 505 HB2 ALA 62 1HB ALA 62 -1.277 -3.455 4.082 506 HB3 ALA 62 2HB ALA 62 -1.225 -1.864 3.322 507 H GLU 63 H GLU 63 -3.572 -4.542 4.765 508 HA GLU 63 HA GLU 63 -3.551 -7.097 3.533 509 HB2 GLU 63 2HB GLU 63 -4.807 -6.165 6.144 510 HB3 GLU 63 3HB GLU 63 -4.650 -7.855 5.668 511 HG2 GLU 63 2HG GLU 63 -2.231 -7.718 5.722 512 HG3 GLU 63 3HG GLU 63 -2.300 -5.975 6.004 513 H ARG 64 H ARG 64 -6.183 -4.774 4.209 514 HA ARG 64 HA ARG 64 -8.324 -6.522 3.558 515 HB2 ARG 64 2HB ARG 64 -9.771 -4.737 3.916 516 HB3 ARG 64 3HB ARG 64 -8.364 -4.115 4.758 517 HG2 ARG 64 2HG ARG 64 -7.798 -2.763 2.749 518 HG3 ARG 64 3HG ARG 64 -9.250 -3.361 1.960 519 HD2 ARG 64 2HD ARG 64 -10.628 -2.291 3.712 520 HD3 ARG 64 3HD ARG 64 -9.158 -1.674 4.486 521 HE ARG 64 HE ARG 64 -9.773 -1.013 1.683 522 HH11 ARG 64 1HH1 ARG 64 -9.215 0.127 4.956 523 HH12 ARG 64 2HH1 ARG 64 -9.123 1.794 4.487 524 HH21 ARG 64 1HH2 ARG 64 -9.662 1.196 1.086 525 HH22 ARG 64 2HH2 ARG 64 -9.376 2.391 2.306 526 H LEU 65 H LEU 65 -6.316 -4.310 1.657 527 HA LEU 65 HA LEU 65 -7.718 -4.567 -0.831 528 HB2 LEU 65 2HB LEU 65 -4.857 -3.684 -0.273 529 HB3 LEU 65 3HB LEU 65 -5.683 -3.499 -1.817 530 HG LEU 65 HG LEU 65 -6.501 -2.152 0.782 531 HD11 LEU 65 1HD1 LEU 65 -4.402 -1.274 -0.073 532 HD12 LEU 65 2HD1 LEU 65 -5.697 -0.090 -0.209 533 HD13 LEU 65 3HD1 LEU 65 -5.149 -0.962 -1.644 534 HD21 LEU 65 3HD2 LEU 65 -8.454 -2.565 -0.613 535 HD22 LEU 65 1HD2 LEU 65 -7.660 -1.817 -2.004 536 HD23 LEU 65 2HD2 LEU 65 -8.073 -0.847 -0.587 537 H ALA 66 H ALA 66 -5.054 -6.273 0.709 538 HA ALA 66 HA ALA 66 -4.086 -7.789 -1.424 539 HB1 ALA 66 3HB ALA 66 -4.274 -8.643 1.491 540 HB2 ALA 66 1HB ALA 66 -2.978 -7.672 0.787 541 HB3 ALA 66 2HB ALA 66 -3.209 -9.343 0.266 542 H LYS 67 H LYS 67 -6.656 -8.621 0.923 543 HA LYS 67 HA LYS 67 -7.312 -11.092 -0.442 544 HB2 LYS 67 2HB LYS 67 -8.946 -11.427 1.334 545 HB3 LYS 67 3HB LYS 67 -7.415 -10.912 2.030 546 HG2 LYS 67 2HG LYS 67 -8.301 -8.630 2.328 547 HG3 LYS 67 3HG LYS 67 -9.836 -9.118 1.606 548 HD2 LYS 67 2HD LYS 67 -8.657 -10.213 4.195 549 HD3 LYS 67 3HD LYS 67 -9.985 -9.062 4.073 550 HE2 LYS 67 2HE LYS 67 -11.396 -10.744 2.996 551 HE3 LYS 67 3HE LYS 67 -10.058 -11.895 2.978 552 HZ1 LYS 67 3HZ LYS 67 -11.323 -10.776 5.426 553 HZ2 LYS 67 1HZ LYS 67 -10.072 -11.916 5.384 554 HZ3 LYS 67 2HZ LYS 67 -11.607 -12.319 4.793 555 H GLU 68 H GLU 68 -8.344 -7.813 -0.637 556 HA GLU 68 HA GLU 68 -10.987 -8.139 -1.673 557 HB2 GLU 68 2HB GLU 68 -10.097 -6.009 -0.673 558 HB3 GLU 68 3HB GLU 68 -9.023 -5.826 -2.052 559 HG2 GLU 68 2HG GLU 68 -10.894 -4.334 -2.316 560 HG3 GLU 68 3HG GLU 68 -11.031 -5.606 -3.527 561 H PHE 69 H PHE 69 -7.813 -7.582 -3.160 562 HA PHE 69 HA PHE 69 -8.878 -7.988 -5.877 563 HB2 PHE 69 2HB PHE 69 -6.175 -6.896 -4.983 564 HB3 PHE 69 3HB PHE 69 -6.767 -6.955 -6.636 565 HD1 PHE 69 HD1 PHE 69 -8.974 -5.641 -7.149 566 HD2 PHE 69 HD2 PHE 69 -6.546 -4.934 -3.698 567 HE1 PHE 69 HE1 PHE 69 -10.007 -3.431 -6.851 568 HE2 PHE 69 HE2 PHE 69 -7.592 -2.733 -3.415 569 HZ PHE 69 HZ PHE 69 -9.324 -1.985 -4.981 570 H ASN 70 H ASN 70 -7.658 -9.998 -3.618 571 HA ASN 70 HA ASN 70 -6.766 -12.087 -3.579 572 HB2 ASN 70 2HB ASN 70 -8.366 -12.436 -5.518 573 HB3 ASN 70 3HB ASN 70 -7.046 -12.080 -6.627 574 HD21 ASN 70 1HD2 ASN 70 -7.030 -14.076 -7.612 575 HD22 ASN 70 2HD2 ASN 70 -6.590 -15.549 -6.817 576 H ILE 71 H ILE 71 -5.107 -9.639 -4.005 577 HA ILE 71 HA ILE 71 -2.592 -10.740 -5.148 578 HB ILE 71 HB ILE 71 -1.772 -8.391 -5.120 579 HG12 ILE 71 2HG1 ILE 71 -4.543 -7.687 -4.033 580 HG13 ILE 71 3HG1 ILE 71 -3.013 -7.497 -3.189 581 HG21 ILE 71 1HG2 ILE 71 -3.187 -7.487 -6.934 582 HG22 ILE 71 2HG2 ILE 71 -4.452 -8.651 -6.538 583 HG23 ILE 71 3HG2 ILE 71 -2.895 -9.215 -7.152 584 HD11 ILE 71 3HD1 ILE 71 -3.827 -5.369 -3.954 585 HD12 ILE 71 1HD1 ILE 71 -3.912 -5.947 -5.618 586 HD13 ILE 71 2HD1 ILE 71 -2.345 -5.780 -4.817 587 H THR 72 H THR 72 -0.614 -10.244 -3.910 588 HA THR 72 HA THR 72 -1.040 -10.795 -1.038 589 HB THR 72 HB THR 72 1.542 -11.039 -2.642 590 HG1 THR 72 HG1 THR 72 -0.665 -12.728 -2.375 591 HG21 THR 72 3HG2 THR 72 0.727 -12.300 -0.007 592 HG22 THR 72 1HG2 THR 72 1.864 -10.961 -0.178 593 HG23 THR 72 2HG2 THR 72 2.261 -12.549 -0.840 594 H VAL 73 H VAL 73 0.194 -9.631 0.538 595 HA VAL 73 HA VAL 73 1.543 -7.158 -0.319 596 HB VAL 73 HB VAL 73 -0.786 -6.615 0.502 597 HG11 VAL 73 1HG1 VAL 73 -1.052 -8.328 2.242 598 HG12 VAL 73 2HG1 VAL 73 -1.330 -6.713 2.896 599 HG13 VAL 73 3HG1 VAL 73 0.191 -7.547 3.225 600 HG21 VAL 73 3HG2 VAL 73 -0.083 -4.729 1.944 601 HG22 VAL 73 1HG2 VAL 73 0.947 -4.907 0.526 602 HG23 VAL 73 2HG2 VAL 73 1.514 -5.449 2.108 603 H THR 74 H THR 74 3.262 -6.588 0.921 604 HA THR 74 HA THR 74 3.916 -7.903 3.440 605 HB THR 74 HB THR 74 5.059 -9.381 1.859 606 HG1 THR 74 HG1 THR 74 6.467 -9.257 3.432 607 HG21 THR 74 3HG2 THR 74 6.763 -8.613 0.262 608 HG22 THR 74 1HG2 THR 74 6.438 -6.933 0.694 609 HG23 THR 74 2HG2 THR 74 5.196 -7.891 -0.114 610 H TYR 75 H TYR 75 5.139 -6.507 4.758 611 HA TYR 75 HA TYR 75 6.036 -3.935 3.773 612 HB2 TYR 75 2HB TYR 75 4.477 -2.701 5.451 613 HB3 TYR 75 3HB TYR 75 3.777 -3.235 3.930 614 HD1 TYR 75 HD1 TYR 75 4.122 -4.290 7.534 615 HD2 TYR 75 HD2 TYR 75 1.781 -4.538 3.954 616 HE1 TYR 75 HE1 TYR 75 2.356 -5.489 8.756 617 HE2 TYR 75 HE2 TYR 75 0.028 -5.738 5.187 618 HH TYR 75 HH TYR 75 -0.230 -7.066 7.186 619 H THR 76 H THR 76 7.078 -2.647 5.441 620 HA THR 76 HA THR 76 8.144 -4.305 7.646 621 HB THR 76 HB THR 76 9.457 -1.826 6.455 622 HG1 THR 76 HG1 THR 76 9.765 -3.115 4.795 623 HG21 THR 76 3HG2 THR 76 10.597 -4.067 8.172 624 HG22 THR 76 1HG2 THR 76 10.254 -2.423 8.724 625 HG23 THR 76 2HG2 THR 76 11.512 -2.708 7.521 626 H ILE 77 H ILE 77 7.314 -3.812 9.522 627 HA ILE 77 HA ILE 77 7.454 -1.155 10.634 628 HB ILE 77 HB ILE 77 5.135 -1.460 11.806 629 HG12 ILE 77 2HG1 ILE 77 4.541 -3.174 9.345 630 HG13 ILE 77 3HG1 ILE 77 4.683 -3.773 10.991 631 HG21 ILE 77 1HG2 ILE 77 3.913 -0.197 10.096 632 HG22 ILE 77 2HG2 ILE 77 5.136 -0.613 8.897 633 HG23 ILE 77 3HG2 ILE 77 5.567 0.397 10.279 634 HD11 ILE 77 3HD1 ILE 77 2.736 -2.446 11.650 635 HD12 ILE 77 1HD1 ILE 77 2.366 -3.577 10.351 636 HD13 ILE 77 2HD1 ILE 77 2.570 -1.861 9.992 637 H ARG 78 H ARG 78 8.431 -1.421 12.535 638 HA ARG 78 HA ARG 78 8.734 -4.093 13.663 639 HB2 ARG 78 2HB ARG 78 10.035 -1.444 14.398 640 HB3 ARG 78 3HB ARG 78 10.401 -2.975 15.177 641 HG2 ARG 78 2HG ARG 78 10.797 -2.507 12.206 642 HG3 ARG 78 3HG ARG 78 12.052 -2.201 13.406 643 HD2 ARG 78 2HD ARG 78 12.476 -4.353 12.437 644 HD3 ARG 78 3HD ARG 78 11.905 -4.621 14.080 645 HE ARG 78 HE ARG 78 9.703 -5.206 13.061 646 HH11 ARG 78 1HH1 ARG 78 12.597 -5.548 11.070 647 HH12 ARG 78 2HH1 ARG 78 11.882 -6.747 10.040 648 HH21 ARG 78 1HH2 ARG 78 8.807 -6.795 11.706 649 HH22 ARG 78 2HH2 ARG 78 9.747 -7.448 10.401 650 H GLY 79 H GLY 79 7.395 -4.815 15.152 651 HA2 GLY 79 2HA GLY 79 6.133 -2.992 17.133 652 HA3 GLY 79 3HA GLY 79 5.233 -4.264 16.308 653 H SER 80 H SER 80 7.829 -3.601 18.546 654 HA SER 80 HA SER 80 8.569 -4.602 20.415 655 HB2 SER 80 2HB SER 80 6.175 -6.442 20.078 656 HB3 SER 80 3HB SER 80 7.175 -6.346 21.530 657 HG SER 80 HG SER 80 6.316 -3.892 20.736 658 H LEU 81 H LEU 81 9.218 -5.633 17.593 659 HA LEU 81 HA LEU 81 10.469 -8.213 18.338 660 HB2 LEU 81 2HB LEU 81 9.660 -7.186 15.590 661 HB3 LEU 81 3HB LEU 81 10.551 -8.675 15.863 662 HG LEU 81 HG LEU 81 7.707 -8.111 16.805 663 HD11 LEU 81 1HD1 LEU 81 7.028 -9.813 15.183 664 HD12 LEU 81 2HD1 LEU 81 8.696 -9.968 14.623 665 HD13 LEU 81 3HD1 LEU 81 7.823 -8.449 14.402 666 HD21 LEU 81 3HD2 LEU 81 7.636 -10.472 17.517 667 HD22 LEU 81 1HD2 LEU 81 8.837 -9.554 18.421 668 HD23 LEU 81 2HD2 LEU 81 9.352 -10.649 17.135 669 H GLU 82 H GLU 82 11.406 -5.198 18.459 670 HA GLU 82 HA GLU 82 13.961 -5.326 17.053 671 HB2 GLU 82 2HB GLU 82 12.993 -3.379 19.203 672 HB3 GLU 82 3HB GLU 82 14.443 -3.185 18.223 673 HG2 GLU 82 2HG GLU 82 13.114 -2.879 16.210 674 HG3 GLU 82 3HG GLU 82 11.628 -3.247 17.090 675 H HIS 83 H HIS 83 15.941 -5.934 18.012 676 HA HIS 83 HA HIS 83 16.082 -6.533 20.859 677 HB2 HIS 83 2HB HIS 83 16.685 -8.940 20.522 678 HB3 HIS 83 3HB HIS 83 15.018 -8.574 20.105 679 HD1 HIS 83 HD1 HIS 83 17.690 -10.539 18.926 680 HD2 HIS 83 HD2 HIS 83 14.898 -8.096 17.046 681 HE1 HIS 83 HE1 HIS 83 17.621 -11.294 16.535 682 HE2 HIS 83 HE2 HIS 83 16.067 -9.682 15.397 683 H HIS 84 H HIS 84 17.807 -5.089 20.983 684 HA HIS 84 HA HIS 84 20.368 -5.818 19.804 685 HB2 HIS 84 2HB HIS 84 19.785 -3.440 20.505 686 HB3 HIS 84 3HB HIS 84 19.829 -3.970 22.183 687 HD1 HIS 84 HD1 HIS 84 22.005 -3.103 19.280 688 HD2 HIS 84 HD2 HIS 84 22.468 -4.451 23.186 689 HE1 HIS 84 HE1 HIS 84 24.453 -2.892 19.786 690 HE2 HIS 84 HE2 HIS 84 24.724 -3.875 22.080 691 H HIS 85 H HIS 85 18.845 -5.911 23.031 692 HA HIS 85 HA HIS 85 19.792 -8.642 23.458 693 HB2 HIS 85 2HB HIS 85 20.561 -6.324 25.265 694 HB3 HIS 85 3HB HIS 85 20.276 -7.904 25.984 695 HD1 HIS 85 HD1 HIS 85 21.821 -9.896 24.960 696 HD2 HIS 85 HD2 HIS 85 23.106 -6.002 24.261 697 HE1 HIS 85 HE1 HIS 85 24.246 -10.083 24.357 698 HE2 HIS 85 HE2 HIS 85 24.948 -7.738 23.776 699 H HIS 86 H HIS 86 18.215 -9.863 24.282 700 HA HIS 86 HA HIS 86 15.909 -8.648 25.700 701 HB2 HIS 86 2HB HIS 86 15.911 -10.574 23.368 702 HB3 HIS 86 3HB HIS 86 14.681 -10.809 24.600 703 HD1 HIS 86 HD1 HIS 86 13.312 -10.280 22.216 704 HD2 HIS 86 HD2 HIS 86 15.008 -7.091 24.278 705 HE1 HIS 86 HE1 HIS 86 12.083 -8.237 21.438 706 HE2 HIS 86 HE2 HIS 86 13.191 -6.322 22.632 707 H HIS 87 H HIS 87 16.793 -9.155 27.715 708 HA HIS 87 HA HIS 87 17.532 -11.797 28.536 709 HB2 HIS 87 2HB HIS 87 18.247 -9.751 29.785 710 HB3 HIS 87 3HB HIS 87 16.576 -9.445 30.257 711 HD1 HIS 87 HD1 HIS 87 15.698 -10.717 32.282 712 HD2 HIS 87 HD2 HIS 87 19.423 -12.076 31.027 713 HE1 HIS 87 HE1 HIS 87 16.467 -12.328 34.052 714 HE2 HIS 87 HE2 HIS 87 18.745 -13.086 33.301 715 H HIS 88 H HIS 88 14.543 -9.914 28.612 716 HA HIS 88 HA HIS 88 12.968 -12.296 29.347 717 HB2 HIS 88 2HB HIS 88 12.455 -10.210 30.593 718 HB3 HIS 88 3HB HIS 88 12.102 -9.378 29.079 719 HD1 HIS 88 HD1 HIS 88 9.877 -10.008 27.875 720 HD2 HIS 88 HD2 HIS 88 10.398 -11.878 31.549 721 HE1 HIS 88 HE1 HIS 88 7.636 -10.978 28.470 722 HE2 HIS 88 HE2 HIS 88 7.955 -12.001 30.738 Start of MODEL 16 1 H1 MET 1 1H MET 1 9.276 11.377 10.350 2 H2 MET 1 2H MET 1 10.222 12.163 11.507 3 H3 MET 1 3H MET 1 9.094 11.010 11.988 4 HA MET 1 HA MET 1 11.524 10.548 10.401 5 HB2 MET 1 2HB MET 1 12.325 9.298 12.352 6 HB3 MET 1 3HB MET 1 11.934 10.940 12.829 7 HG2 MET 1 2HG MET 1 9.835 10.155 13.864 8 HG3 MET 1 3HG MET 1 10.169 8.514 13.320 9 HE1 MET 1 3HE MET 1 12.737 11.148 14.859 10 HE2 MET 1 1HE MET 1 12.655 10.692 16.559 11 HE3 MET 1 2HE MET 1 11.249 11.411 15.772 12 H GLY 2 H GLY 2 8.361 9.429 11.383 13 HA2 GLY 2 2HA GLY 2 8.716 6.627 11.111 14 HA3 GLY 2 3HA GLY 2 7.192 7.491 11.176 15 H GLU 3 H GLU 3 9.235 5.690 9.251 16 HA GLU 3 HA GLU 3 7.593 6.257 6.853 17 HB2 GLU 3 2HB GLU 3 9.439 5.692 5.401 18 HB3 GLU 3 3HB GLU 3 9.982 6.943 6.503 19 HG2 GLU 3 2HG GLU 3 10.601 4.006 6.881 20 HG3 GLU 3 3HG GLU 3 11.638 5.108 5.989 21 H MET 4 H MET 4 7.348 4.370 5.468 22 HA MET 4 HA MET 4 7.457 1.728 6.698 23 HB2 MET 4 2HB MET 4 5.318 2.722 7.539 24 HB3 MET 4 3HB MET 4 4.814 3.055 5.887 25 HG2 MET 4 2HG MET 4 4.738 0.668 5.407 26 HG3 MET 4 3HG MET 4 5.320 0.305 7.036 27 HE1 MET 4 3HE MET 4 1.666 -0.853 7.492 28 HE2 MET 4 1HE MET 4 3.362 -1.211 7.812 29 HE3 MET 4 2HE MET 4 2.765 -1.166 6.150 30 H ASP 5 H ASP 5 7.461 0.084 5.074 31 HA ASP 5 HA ASP 5 7.312 0.981 2.264 32 HB2 ASP 5 2HB ASP 5 9.654 0.468 3.028 33 HB3 ASP 5 3HB ASP 5 9.140 -1.131 3.552 34 H ILE 6 H ILE 6 5.649 -0.070 1.280 35 HA ILE 6 HA ILE 6 4.541 -2.588 2.396 36 HB ILE 6 HB ILE 6 2.914 -0.265 1.204 37 HG12 ILE 6 2HG1 ILE 6 3.100 -1.059 4.151 38 HG13 ILE 6 3HG1 ILE 6 3.905 0.332 3.437 39 HG21 ILE 6 1HG2 ILE 6 1.987 -2.823 2.578 40 HG22 ILE 6 2HG2 ILE 6 1.883 -2.471 0.851 41 HG23 ILE 6 3HG2 ILE 6 0.937 -1.527 2.000 42 HD11 ILE 6 3HD1 ILE 6 0.932 -0.085 3.629 43 HD12 ILE 6 1HD1 ILE 6 1.732 1.296 2.869 44 HD13 ILE 6 2HD1 ILE 6 1.920 1.006 4.598 45 H ARG 7 H ARG 7 5.096 -4.042 0.833 46 HA ARG 7 HA ARG 7 4.814 -3.272 -2.005 47 HB2 ARG 7 2HB ARG 7 7.031 -4.185 -1.399 48 HB3 ARG 7 3HB ARG 7 6.283 -5.671 -0.812 49 HG2 ARG 7 2HG ARG 7 5.448 -6.156 -3.083 50 HG3 ARG 7 3HG ARG 7 6.156 -4.660 -3.680 51 HD2 ARG 7 2HD ARG 7 7.788 -6.887 -2.434 52 HD3 ARG 7 3HD ARG 7 7.474 -6.756 -4.167 53 HE ARG 7 HE ARG 7 8.786 -4.544 -2.706 54 HH11 ARG 7 1HH1 ARG 7 8.905 -6.987 -5.256 55 HH12 ARG 7 2HH1 ARG 7 10.358 -6.349 -5.960 56 HH21 ARG 7 1HH2 ARG 7 10.709 -3.735 -3.663 57 HH22 ARG 7 2HH2 ARG 7 11.369 -4.519 -5.058 58 H PHE 8 H PHE 8 3.244 -4.066 -3.178 59 HA PHE 8 HA PHE 8 1.628 -6.402 -2.369 60 HB2 PHE 8 2HB PHE 8 1.060 -4.088 -4.289 61 HB3 PHE 8 3HB PHE 8 0.046 -5.524 -4.184 62 HD1 PHE 8 HD1 PHE 8 1.047 -2.404 -2.460 63 HD2 PHE 8 HD2 PHE 8 -1.414 -5.898 -2.266 64 HE1 PHE 8 HE1 PHE 8 -0.290 -1.376 -0.666 65 HE2 PHE 8 HE2 PHE 8 -2.748 -4.863 -0.486 66 HZ PHE 8 HZ PHE 8 -2.192 -2.597 0.317 67 H ARG 9 H ARG 9 1.280 -7.986 -4.045 68 HA ARG 9 HA ARG 9 2.764 -7.800 -6.545 69 HB2 ARG 9 2HB ARG 9 4.301 -8.861 -4.703 70 HB3 ARG 9 3HB ARG 9 3.213 -10.239 -4.753 71 HG2 ARG 9 2HG ARG 9 3.683 -10.592 -7.123 72 HG3 ARG 9 3HG ARG 9 4.698 -9.152 -7.166 73 HD2 ARG 9 2HD ARG 9 5.950 -10.571 -5.183 74 HD3 ARG 9 3HD ARG 9 5.303 -11.890 -6.171 75 HE ARG 9 HE ARG 9 6.678 -9.777 -7.601 76 HH11 ARG 9 1HH1 ARG 9 6.991 -12.973 -6.188 77 HH12 ARG 9 2HH1 ARG 9 8.416 -13.359 -7.102 78 HH21 ARG 9 1HH2 ARG 9 8.564 -10.218 -8.688 79 HH22 ARG 9 2HH2 ARG 9 9.315 -11.779 -8.532 80 H GLY 10 H GLY 10 1.556 -8.726 -8.124 81 HA2 GLY 10 2HA GLY 10 -0.207 -10.964 -7.633 82 HA3 GLY 10 3HA GLY 10 -1.066 -9.444 -7.851 83 H ASP 11 H ASP 11 -1.192 -11.789 -9.413 84 HA ASP 11 HA ASP 11 0.258 -11.695 -11.825 85 HB2 ASP 11 2HB ASP 11 -0.862 -13.713 -11.071 86 HB3 ASP 11 3HB ASP 11 -2.432 -12.922 -11.084 87 H ASP 12 H ASP 12 -2.486 -9.913 -10.713 88 HA ASP 12 HA ASP 12 -3.064 -8.814 -13.394 89 HB2 ASP 12 2HB ASP 12 -5.003 -9.813 -12.242 90 HB3 ASP 12 3HB ASP 12 -4.747 -8.761 -10.853 91 H LEU 13 H LEU 13 -1.879 -7.082 -13.770 92 HA LEU 13 HA LEU 13 -0.786 -5.310 -11.858 93 HB2 LEU 13 2HB LEU 13 0.174 -5.695 -14.126 94 HB3 LEU 13 3HB LEU 13 -1.187 -4.850 -14.838 95 HG LEU 13 HG LEU 13 -0.469 -2.753 -13.650 96 HD11 LEU 13 1HD1 LEU 13 1.980 -4.344 -12.823 97 HD12 LEU 13 2HD1 LEU 13 0.725 -3.718 -11.749 98 HD13 LEU 13 3HD1 LEU 13 1.760 -2.601 -12.634 99 HD21 LEU 13 3HD2 LEU 13 1.447 -2.252 -15.096 100 HD22 LEU 13 1HD2 LEU 13 0.201 -3.138 -15.975 101 HD23 LEU 13 2HD2 LEU 13 1.661 -3.972 -15.436 102 H GLU 14 H GLU 14 -3.916 -5.379 -13.404 103 HA GLU 14 HA GLU 14 -4.726 -2.681 -12.923 104 HB2 GLU 14 2HB GLU 14 -6.271 -5.268 -13.276 105 HB3 GLU 14 3HB GLU 14 -7.112 -3.801 -12.803 106 HG2 GLU 14 2HG GLU 14 -5.478 -4.102 -15.333 107 HG3 GLU 14 3HG GLU 14 -7.226 -4.289 -15.215 108 H ALA 15 H ALA 15 -4.899 -5.667 -11.008 109 HA ALA 15 HA ALA 15 -6.411 -4.683 -8.829 110 HB1 ALA 15 3HB ALA 15 -4.484 -7.033 -9.027 111 HB2 ALA 15 1HB ALA 15 -6.212 -7.071 -9.373 112 HB3 ALA 15 2HB ALA 15 -5.649 -6.778 -7.729 113 H LEU 16 H LEU 16 -2.969 -4.875 -9.546 114 HA LEU 16 HA LEU 16 -1.912 -4.041 -7.065 115 HB2 LEU 16 2HB LEU 16 -0.777 -3.779 -9.879 116 HB3 LEU 16 3HB LEU 16 0.141 -3.444 -8.415 117 HG LEU 16 HG LEU 16 -1.043 -6.152 -9.136 118 HD11 LEU 16 1HD1 LEU 16 0.781 -5.537 -10.644 119 HD12 LEU 16 2HD1 LEU 16 1.263 -6.853 -9.578 120 HD13 LEU 16 3HD1 LEU 16 1.838 -5.211 -9.266 121 HD21 LEU 16 3HD2 LEU 16 0.783 -5.358 -6.841 122 HD22 LEU 16 1HD2 LEU 16 0.293 -7.003 -7.255 123 HD23 LEU 16 2HD2 LEU 16 -0.913 -5.841 -6.718 124 H GLU 17 H GLU 17 -2.476 -2.175 -10.073 125 HA GLU 17 HA GLU 17 -1.686 0.332 -8.960 126 HB2 GLU 17 2HB GLU 17 -3.257 -0.262 -11.507 127 HB3 GLU 17 3HB GLU 17 -2.585 1.311 -11.074 128 HG2 GLU 17 2HG GLU 17 -0.313 0.404 -11.108 129 HG3 GLU 17 3HG GLU 17 -0.939 -1.208 -11.466 130 H LYS 18 H LYS 18 -4.709 -1.366 -9.020 131 HA LYS 18 HA LYS 18 -6.433 0.817 -8.314 132 HB2 LYS 18 2HB LYS 18 -6.711 -2.206 -8.327 133 HB3 LYS 18 3HB LYS 18 -7.935 -1.234 -7.513 134 HG2 LYS 18 2HG LYS 18 -8.575 -0.139 -9.529 135 HG3 LYS 18 3HG LYS 18 -7.144 -0.709 -10.390 136 HD2 LYS 18 2HD LYS 18 -7.983 -2.955 -10.494 137 HD3 LYS 18 3HD LYS 18 -9.288 -2.607 -9.369 138 HE2 LYS 18 2HE LYS 18 -10.137 -2.733 -11.648 139 HE3 LYS 18 3HE LYS 18 -10.312 -1.088 -11.034 140 HZ1 LYS 18 3HZ LYS 18 -8.222 -2.079 -12.897 141 HZ2 LYS 18 1HZ LYS 18 -8.248 -0.525 -12.232 142 HZ3 LYS 18 2HZ LYS 18 -9.488 -1.023 -13.260 143 H ALA 19 H ALA 19 -4.856 -1.819 -6.441 144 HA ALA 19 HA ALA 19 -5.582 -0.989 -3.839 145 HB1 ALA 19 3HB ALA 19 -3.684 -2.364 -3.052 146 HB2 ALA 19 1HB ALA 19 -3.049 -2.447 -4.702 147 HB3 ALA 19 2HB ALA 19 -4.590 -3.207 -4.308 148 H LEU 20 H LEU 20 -2.800 -0.201 -5.875 149 HA LEU 20 HA LEU 20 -1.246 1.422 -4.301 150 HB2 LEU 20 2HB LEU 20 -0.561 0.647 -6.497 151 HB3 LEU 20 3HB LEU 20 -1.839 1.525 -7.288 152 HG LEU 20 HG LEU 20 0.624 2.383 -7.476 153 HD11 LEU 20 1HD1 LEU 20 -0.051 4.726 -7.686 154 HD12 LEU 20 2HD1 LEU 20 -1.548 4.388 -6.818 155 HD13 LEU 20 3HD1 LEU 20 -1.258 3.647 -8.391 156 HD21 LEU 20 3HD2 LEU 20 1.389 3.926 -5.742 157 HD22 LEU 20 1HD2 LEU 20 1.159 2.310 -5.072 158 HD23 LEU 20 2HD2 LEU 20 -0.035 3.572 -4.764 159 H LYS 21 H LYS 21 -3.909 2.442 -6.452 160 HA LYS 21 HA LYS 21 -3.764 5.187 -5.913 161 HB2 LYS 21 2HB LYS 21 -4.889 4.197 -7.887 162 HB3 LYS 21 3HB LYS 21 -6.141 3.523 -6.864 163 HG2 LYS 21 2HG LYS 21 -5.755 6.512 -6.832 164 HG3 LYS 21 3HG LYS 21 -6.496 5.794 -8.257 165 HD2 LYS 21 2HD LYS 21 -7.520 5.465 -5.409 166 HD3 LYS 21 3HD LYS 21 -8.166 6.600 -6.596 167 HE2 LYS 21 2HE LYS 21 -8.803 4.735 -8.068 168 HE3 LYS 21 3HE LYS 21 -8.118 3.578 -6.921 169 HZ1 LYS 21 3HZ LYS 21 -9.751 4.319 -5.278 170 HZ2 LYS 21 1HZ LYS 21 -10.520 3.732 -6.667 171 HZ3 LYS 21 2HZ LYS 21 -10.410 5.399 -6.391 172 H GLU 22 H GLU 22 -5.422 2.581 -4.225 173 HA GLU 22 HA GLU 22 -7.018 4.259 -2.514 174 HB2 GLU 22 2HB GLU 22 -6.282 1.326 -2.187 175 HB3 GLU 22 3HB GLU 22 -7.569 2.172 -1.337 176 HG2 GLU 22 2HG GLU 22 -7.522 1.841 -4.340 177 HG3 GLU 22 3HG GLU 22 -8.255 0.669 -3.255 178 H MET 23 H MET 23 -3.884 2.564 -2.197 179 HA MET 23 HA MET 23 -3.465 3.205 0.552 180 HB2 MET 23 2HB MET 23 -1.472 2.434 -1.617 181 HB3 MET 23 3HB MET 23 -1.089 2.522 0.100 182 HG2 MET 23 2HG MET 23 -3.092 0.641 -1.166 183 HG3 MET 23 3HG MET 23 -1.468 0.215 -0.641 184 HE1 MET 23 3HE MET 23 -1.759 0.416 3.237 185 HE2 MET 23 1HE MET 23 -1.139 1.654 2.146 186 HE3 MET 23 2HE MET 23 -0.743 -0.046 1.869 187 H ILE 24 H ILE 24 -2.672 4.845 -2.480 188 HA ILE 24 HA ILE 24 -1.151 6.988 -1.365 189 HB ILE 24 HB ILE 24 -2.756 6.871 -3.979 190 HG12 ILE 24 2HG1 ILE 24 0.234 6.587 -3.384 191 HG13 ILE 24 3HG1 ILE 24 -0.840 5.347 -4.019 192 HG21 ILE 24 1HG2 ILE 24 -2.587 9.221 -3.246 193 HG22 ILE 24 2HG2 ILE 24 -1.585 8.945 -4.668 194 HG23 ILE 24 3HG2 ILE 24 -0.838 9.059 -3.073 195 HD11 ILE 24 3HD1 ILE 24 0.581 6.189 -5.756 196 HD12 ILE 24 1HD1 ILE 24 0.054 7.845 -5.448 197 HD13 ILE 24 2HD1 ILE 24 -1.087 6.656 -6.085 198 H ARG 25 H ARG 25 -4.592 6.479 -2.081 199 HA ARG 25 HA ARG 25 -5.694 8.913 -1.298 200 HB2 ARG 25 2HB ARG 25 -6.968 7.076 -2.408 201 HB3 ARG 25 3HB ARG 25 -6.888 6.124 -0.930 202 HG2 ARG 25 2HG ARG 25 -8.231 7.864 0.232 203 HG3 ARG 25 3HG ARG 25 -8.329 8.769 -1.279 204 HD2 ARG 25 2HD ARG 25 -9.464 6.761 -2.318 205 HD3 ARG 25 3HD ARG 25 -9.505 6.028 -0.706 206 HE ARG 25 HE ARG 25 -10.650 8.682 -0.883 207 HH11 ARG 25 1HH1 ARG 25 -11.401 5.242 -1.113 208 HH12 ARG 25 2HH1 ARG 25 -13.090 5.490 -0.799 209 HH21 ARG 25 1HH2 ARG 25 -12.837 8.959 -0.456 210 HH22 ARG 25 2HH2 ARG 25 -13.900 7.588 -0.429 211 H GLN 26 H GLN 26 -4.738 6.105 0.658 212 HA GLN 26 HA GLN 26 -5.589 7.143 3.180 213 HB2 GLN 26 2HB GLN 26 -3.473 5.026 2.613 214 HB3 GLN 26 3HB GLN 26 -4.193 5.359 4.183 215 HG2 GLN 26 2HG GLN 26 -5.487 4.104 1.765 216 HG3 GLN 26 3HG GLN 26 -5.262 3.411 3.367 217 HE21 GLN 26 1HE2 GLN 26 -7.214 5.426 1.377 218 HE22 GLN 26 2HE2 GLN 26 -8.493 5.697 2.505 219 H ALA 27 H ALA 27 -2.423 7.014 1.553 220 HA ALA 27 HA ALA 27 -0.866 8.225 3.539 221 HB1 ALA 27 3HB ALA 27 0.089 6.998 1.650 222 HB2 ALA 27 1HB ALA 27 0.791 8.612 1.753 223 HB3 ALA 27 2HB ALA 27 -0.440 8.258 0.533 224 H ARG 28 H ARG 28 -3.010 9.641 1.179 225 HA ARG 28 HA ARG 28 -2.055 12.368 1.524 226 HB2 ARG 28 2HB ARG 28 -4.438 11.296 -0.049 227 HB3 ARG 28 3HB ARG 28 -3.903 12.976 -0.043 228 HG2 ARG 28 2HG ARG 28 -1.732 12.275 -1.039 229 HG3 ARG 28 3HG ARG 28 -2.310 10.609 -1.085 230 HD2 ARG 28 2HD ARG 28 -3.449 12.980 -2.597 231 HD3 ARG 28 3HD ARG 28 -2.617 11.578 -3.279 232 HE ARG 28 HE ARG 28 -5.159 11.228 -1.819 233 HH11 ARG 28 1HH1 ARG 28 -3.419 10.986 -4.879 234 HH12 ARG 28 2HH1 ARG 28 -4.689 10.083 -5.646 235 HH21 ARG 28 1HH2 ARG 28 -6.795 10.089 -2.838 236 HH22 ARG 28 2HH2 ARG 28 -6.600 9.580 -4.486 237 H LYS 29 H LYS 29 -4.859 10.397 2.593 238 HA LYS 29 HA LYS 29 -6.257 12.584 3.815 239 HB2 LYS 29 2HB LYS 29 -7.720 10.978 4.862 240 HB3 LYS 29 3HB LYS 29 -7.393 10.432 3.225 241 HG2 LYS 29 2HG LYS 29 -5.864 8.738 4.042 242 HG3 LYS 29 3HG LYS 29 -6.023 9.329 5.693 243 HD2 LYS 29 2HD LYS 29 -8.303 8.152 4.046 244 HD3 LYS 29 3HD LYS 29 -7.361 7.258 5.241 245 HE2 LYS 29 2HE LYS 29 -8.138 8.787 7.010 246 HE3 LYS 29 3HE LYS 29 -9.060 9.708 5.819 247 HZ1 LYS 29 3HZ LYS 29 -10.454 8.149 7.040 248 HZ2 LYS 29 1HZ LYS 29 -9.513 6.850 6.505 249 HZ3 LYS 29 2HZ LYS 29 -10.412 7.754 5.397 250 H PHE 30 H PHE 30 -3.648 10.533 4.876 251 HA PHE 30 HA PHE 30 -3.685 11.570 7.621 252 HB2 PHE 30 2HB PHE 30 -1.792 9.596 6.252 253 HB3 PHE 30 3HB PHE 30 -1.740 10.022 7.961 254 HD1 PHE 30 HD1 PHE 30 -4.368 9.866 8.995 255 HD2 PHE 30 HD2 PHE 30 -2.633 7.428 5.943 256 HE1 PHE 30 HE1 PHE 30 -5.948 8.061 9.521 257 HE2 PHE 30 HE2 PHE 30 -4.233 5.630 6.473 258 HZ PHE 30 HZ PHE 30 -5.892 5.949 8.261 259 H ALA 31 H ALA 31 -2.729 12.774 4.748 260 HA ALA 31 HA ALA 31 -1.319 14.329 3.944 261 HB1 ALA 31 3HB ALA 31 -2.471 15.696 5.640 262 HB2 ALA 31 1HB ALA 31 -0.808 16.232 5.387 263 HB3 ALA 31 2HB ALA 31 -1.223 15.287 6.817 264 H GLY 32 H GLY 32 0.088 12.480 3.566 265 HA2 GLY 32 2HA GLY 32 2.749 12.782 4.822 266 HA3 GLY 32 3HA GLY 32 2.033 11.193 4.551 267 H THR 33 H THR 33 4.278 11.290 3.384 268 HA THR 33 HA THR 33 4.056 12.270 0.610 269 HB THR 33 HB THR 33 6.530 11.363 2.183 270 HG1 THR 33 HG1 THR 33 5.308 13.450 2.710 271 HG21 THR 33 3HG2 THR 33 6.784 11.108 -0.281 272 HG22 THR 33 1HG2 THR 33 7.821 12.392 0.346 273 HG23 THR 33 2HG2 THR 33 6.328 12.801 -0.500 274 H VAL 34 H VAL 34 4.177 10.689 -1.048 275 HA VAL 34 HA VAL 34 4.435 7.861 -0.291 276 HB VAL 34 HB VAL 34 2.046 8.362 -0.089 277 HG11 VAL 34 1HG1 VAL 34 2.084 9.289 -2.978 278 HG12 VAL 34 2HG1 VAL 34 1.846 10.303 -1.554 279 HG13 VAL 34 3HG1 VAL 34 0.644 9.080 -1.973 280 HG21 VAL 34 3HG2 VAL 34 1.127 6.642 -1.594 281 HG22 VAL 34 1HG2 VAL 34 2.662 6.129 -0.887 282 HG23 VAL 34 2HG2 VAL 34 2.603 6.684 -2.562 283 H THR 35 H THR 35 5.379 6.654 -1.815 284 HA THR 35 HA THR 35 5.670 7.577 -4.605 285 HB THR 35 HB THR 35 7.960 6.352 -2.963 286 HG1 THR 35 HG1 THR 35 8.155 8.309 -2.163 287 HG21 THR 35 3HG2 THR 35 8.146 6.046 -5.424 288 HG22 THR 35 1HG2 THR 35 9.386 7.138 -4.804 289 HG23 THR 35 2HG2 THR 35 7.980 7.790 -5.645 290 H TYR 36 H TYR 36 6.163 5.682 -6.043 291 HA TYR 36 HA TYR 36 5.883 3.016 -4.889 292 HB2 TYR 36 2HB TYR 36 4.074 2.342 -6.432 293 HB3 TYR 36 3HB TYR 36 3.545 3.615 -5.342 294 HD1 TYR 36 HD2 TYR 36 3.160 5.941 -6.218 295 HD2 TYR 36 HD1 TYR 36 4.140 2.721 -8.861 296 HE1 TYR 36 HE2 TYR 36 2.407 7.276 -8.131 297 HE2 TYR 36 HE1 TYR 36 3.366 4.071 -10.766 298 HH TYR 36 HH TYR 36 2.004 5.932 -11.269 299 H THR 37 H THR 37 6.686 1.361 -6.186 300 HA THR 37 HA THR 37 7.893 2.089 -8.795 301 HB THR 37 HB THR 37 9.017 0.032 -6.830 302 HG1 THR 37 HG1 THR 37 9.850 2.689 -7.418 303 HG21 THR 37 3HG2 THR 37 9.580 -0.427 -9.206 304 HG22 THR 37 1HG2 THR 37 11.004 0.075 -8.293 305 HG23 THR 37 2HG2 THR 37 10.205 1.217 -9.375 306 H LEU 38 H LEU 38 6.660 1.150 -10.316 307 HA LEU 38 HA LEU 38 5.430 -1.493 -9.947 308 HB2 LEU 38 2HB LEU 38 5.271 0.598 -12.161 309 HB3 LEU 38 3HB LEU 38 4.494 -0.974 -12.285 310 HG LEU 38 HG LEU 38 3.874 1.057 -10.105 311 HD11 LEU 38 1HD1 LEU 38 2.303 0.486 -12.638 312 HD12 LEU 38 2HD1 LEU 38 3.206 1.961 -12.275 313 HD13 LEU 38 3HD1 LEU 38 1.796 1.535 -11.310 314 HD21 LEU 38 3HD2 LEU 38 1.913 -0.328 -9.650 315 HD22 LEU 38 1HD2 LEU 38 3.401 -1.252 -9.442 316 HD23 LEU 38 2HD2 LEU 38 2.413 -1.483 -10.889 317 H ASP 39 H ASP 39 6.589 -3.246 -10.499 318 HA ASP 39 HA ASP 39 8.380 -3.228 -12.843 319 HB2 ASP 39 2HB ASP 39 9.804 -2.866 -10.812 320 HB3 ASP 39 3HB ASP 39 9.147 -4.325 -10.084 321 H GLY 40 H GLY 40 7.003 -4.502 -14.015 322 HA2 GLY 40 2HA GLY 40 5.964 -6.374 -14.802 323 HA3 GLY 40 3HA GLY 40 6.894 -7.302 -13.633 324 H ASN 41 H ASN 41 5.901 -8.046 -11.828 325 HA ASN 41 HA ASN 41 3.041 -7.379 -11.415 326 HB2 ASN 41 2HB ASN 41 4.522 -9.965 -10.764 327 HB3 ASN 41 3HB ASN 41 2.838 -9.637 -10.350 328 HD21 ASN 41 1HD2 ASN 41 1.311 -9.368 -12.126 329 HD22 ASN 41 2HD2 ASN 41 1.625 -10.094 -13.660 330 H ASP 42 H ASP 42 5.761 -6.303 -10.224 331 HA ASP 42 HA ASP 42 5.065 -6.509 -7.353 332 HB2 ASP 42 2HB ASP 42 7.648 -5.675 -8.758 333 HB3 ASP 42 3HB ASP 42 7.384 -5.431 -7.033 334 H LEU 43 H LEU 43 4.488 -4.782 -6.221 335 HA LEU 43 HA LEU 43 4.700 -2.035 -7.308 336 HB2 LEU 43 2HB LEU 43 2.366 -2.669 -7.528 337 HB3 LEU 43 3HB LEU 43 2.366 -3.470 -5.964 338 HG LEU 43 HG LEU 43 2.617 -1.214 -4.866 339 HD11 LEU 43 1HD1 LEU 43 2.120 0.818 -6.112 340 HD12 LEU 43 2HD1 LEU 43 2.075 -0.095 -7.620 341 HD13 LEU 43 3HD1 LEU 43 3.585 0.044 -6.717 342 HD21 LEU 43 3HD2 LEU 43 0.140 -1.583 -6.569 343 HD22 LEU 43 1HD2 LEU 43 0.263 -0.602 -5.105 344 HD23 LEU 43 2HD2 LEU 43 0.454 -2.352 -5.011 345 H GLU 44 H GLU 44 6.341 -1.230 -5.966 346 HA GLU 44 HA GLU 44 6.291 -1.852 -3.065 347 HB2 GLU 44 2HB GLU 44 8.435 -2.295 -4.295 348 HB3 GLU 44 3HB GLU 44 8.523 -0.584 -4.728 349 HG2 GLU 44 2HG GLU 44 8.578 -0.016 -2.279 350 HG3 GLU 44 3HG GLU 44 8.611 -1.739 -1.918 351 H ILE 45 H ILE 45 4.922 -0.433 -2.155 352 HA ILE 45 HA ILE 45 4.859 2.420 -2.877 353 HB ILE 45 HB ILE 45 3.139 0.936 -0.810 354 HG12 ILE 45 2HG1 ILE 45 2.473 1.594 -3.722 355 HG13 ILE 45 3HG1 ILE 45 2.825 -0.012 -3.095 356 HG21 ILE 45 1HG2 ILE 45 3.234 3.380 -0.457 357 HG22 ILE 45 2HG2 ILE 45 1.628 2.893 -0.996 358 HG23 ILE 45 3HG2 ILE 45 2.743 3.658 -2.131 359 HD11 ILE 45 3HD1 ILE 45 0.829 0.098 -1.695 360 HD12 ILE 45 1HD1 ILE 45 0.466 0.294 -3.407 361 HD13 ILE 45 2HD1 ILE 45 0.467 1.701 -2.347 362 H ARG 46 H ARG 46 6.147 3.820 -1.767 363 HA ARG 46 HA ARG 46 7.189 3.139 0.920 364 HB2 ARG 46 2HB ARG 46 8.391 4.915 -1.262 365 HB3 ARG 46 3HB ARG 46 9.119 4.626 0.319 366 HG2 ARG 46 2HG ARG 46 9.335 2.225 -0.229 367 HG3 ARG 46 3HG ARG 46 8.609 2.527 -1.811 368 HD2 ARG 46 2HD ARG 46 11.200 3.772 -0.835 369 HD3 ARG 46 3HD ARG 46 11.094 2.357 -1.880 370 HE ARG 46 HE ARG 46 10.444 5.142 -2.611 371 HH11 ARG 46 1HH1 ARG 46 10.800 1.797 -3.621 372 HH12 ARG 46 2HH1 ARG 46 10.816 2.169 -5.306 373 HH21 ARG 46 1HH2 ARG 46 10.540 5.620 -4.860 374 HH22 ARG 46 2HH2 ARG 46 10.669 4.326 -6.009 375 H ILE 47 H ILE 47 5.909 4.154 2.336 376 HA ILE 47 HA ILE 47 4.940 6.912 1.830 377 HB ILE 47 HB ILE 47 3.813 4.861 3.807 378 HG12 ILE 47 2HG1 ILE 47 2.699 5.763 1.100 379 HG13 ILE 47 3HG1 ILE 47 3.427 4.197 1.429 380 HG21 ILE 47 1HG2 ILE 47 1.930 6.475 4.056 381 HG22 ILE 47 2HG2 ILE 47 2.765 7.610 2.993 382 HG23 ILE 47 3HG2 ILE 47 3.468 7.186 4.555 383 HD11 ILE 47 3HD1 ILE 47 1.030 4.045 1.345 384 HD12 ILE 47 1HD1 ILE 47 0.874 5.241 2.632 385 HD13 ILE 47 2HD1 ILE 47 1.613 3.672 2.966 386 H THR 48 H THR 48 5.976 8.436 2.926 387 HA THR 48 HA THR 48 7.378 7.848 5.470 388 HB THR 48 HB THR 48 8.264 9.688 3.185 389 HG1 THR 48 HG1 THR 48 8.484 7.159 3.228 390 HG21 THR 48 3HG2 THR 48 10.369 9.981 4.458 391 HG22 THR 48 1HG2 THR 48 9.721 9.006 5.780 392 HG23 THR 48 2HG2 THR 48 8.994 10.566 5.394 393 H GLY 49 H GLY 49 7.229 9.476 7.047 394 HA2 GLY 49 2HA GLY 49 6.797 11.605 7.928 395 HA3 GLY 49 3HA GLY 49 5.985 12.069 6.440 396 H VAL 50 H VAL 50 5.446 9.215 8.462 397 HA VAL 50 HA VAL 50 2.866 10.236 9.433 398 HB VAL 50 HB VAL 50 1.808 7.917 8.907 399 HG11 VAL 50 1HG1 VAL 50 1.133 8.576 6.608 400 HG12 VAL 50 2HG1 VAL 50 2.441 9.762 6.566 401 HG13 VAL 50 3HG1 VAL 50 1.118 9.952 7.714 402 HG21 VAL 50 3HG2 VAL 50 3.890 6.718 8.324 403 HG22 VAL 50 1HG2 VAL 50 4.109 7.761 6.918 404 HG23 VAL 50 2HG2 VAL 50 2.729 6.657 6.997 405 HA PRO 51 HA PRO 51 4.492 8.524 13.269 406 HB2 PRO 51 2HB PRO 51 2.135 8.422 14.739 407 HB3 PRO 51 3HB PRO 51 3.034 9.920 14.418 408 HG2 PRO 51 2HG PRO 51 0.627 8.830 13.025 409 HG3 PRO 51 3HG PRO 51 0.976 10.499 13.524 410 HD2 PRO 51 2HD PRO 51 1.281 9.675 10.959 411 HD3 PRO 51 3HD PRO 51 2.343 10.905 11.683 412 H GLU 52 H GLU 52 4.003 6.783 14.877 413 HA GLU 52 HA GLU 52 4.297 4.272 13.761 414 HB2 GLU 52 2HB GLU 52 5.135 4.843 16.013 415 HB3 GLU 52 3HB GLU 52 3.492 5.083 16.596 416 HG2 GLU 52 2HG GLU 52 4.317 2.974 17.426 417 HG3 GLU 52 3HG GLU 52 3.034 2.671 16.261 418 H GLN 53 H GLN 53 1.446 5.525 15.526 419 HA GLN 53 HA GLN 53 -0.220 3.308 15.274 420 HB2 GLN 53 2HB GLN 53 -2.120 4.891 15.697 421 HB3 GLN 53 3HB GLN 53 -0.792 5.067 16.839 422 HG2 GLN 53 2HG GLN 53 -0.068 7.107 15.844 423 HG3 GLN 53 3HG GLN 53 -1.077 6.856 14.421 424 HE21 GLN 53 1HE2 GLN 53 -3.280 7.284 14.528 425 HE22 GLN 53 2HE2 GLN 53 -3.993 8.203 15.809 426 H VAL 54 H VAL 54 0.229 6.044 13.086 427 HA VAL 54 HA VAL 54 -1.939 5.414 11.341 428 HB VAL 54 HB VAL 54 0.424 7.317 11.087 429 HG11 VAL 54 1HG1 VAL 54 -0.676 8.315 9.109 430 HG12 VAL 54 2HG1 VAL 54 -1.847 6.993 9.094 431 HG13 VAL 54 3HG1 VAL 54 -0.139 6.660 8.805 432 HG21 VAL 54 3HG2 VAL 54 -1.301 9.063 11.375 433 HG22 VAL 54 1HG2 VAL 54 -1.292 7.942 12.735 434 HG23 VAL 54 2HG2 VAL 54 -2.552 7.821 11.504 435 H ARG 55 H ARG 55 1.547 4.724 11.284 436 HA ARG 55 HA ARG 55 1.651 3.500 8.734 437 HB2 ARG 55 2HB ARG 55 3.385 3.077 11.212 438 HB3 ARG 55 3HB ARG 55 3.733 2.343 9.646 439 HG2 ARG 55 2HG ARG 55 3.898 4.598 8.634 440 HG3 ARG 55 3HG ARG 55 3.601 5.323 10.213 441 HD2 ARG 55 2HD ARG 55 5.941 3.494 9.596 442 HD3 ARG 55 3HD ARG 55 6.010 5.252 9.509 443 HE ARG 55 HE ARG 55 5.538 5.307 11.912 444 HH11 ARG 55 1HH1 ARG 55 6.716 2.258 10.605 445 HH12 ARG 55 2HH1 ARG 55 7.353 1.715 12.123 446 HH21 ARG 55 1HH2 ARG 55 6.409 4.598 13.870 447 HH22 ARG 55 2HH2 ARG 55 7.177 3.046 13.982 448 H LYS 56 H LYS 56 0.883 2.257 11.954 449 HA LYS 56 HA LYS 56 0.435 -0.457 11.189 450 HB2 LYS 56 2HB LYS 56 -0.584 1.133 13.580 451 HB3 LYS 56 3HB LYS 56 -0.689 -0.621 13.420 452 HG2 LYS 56 2HG LYS 56 1.732 -0.836 13.446 453 HG3 LYS 56 3HG LYS 56 1.924 0.918 13.376 454 HD2 LYS 56 2HD LYS 56 2.341 0.156 15.651 455 HD3 LYS 56 3HD LYS 56 0.860 1.114 15.617 456 HE2 LYS 56 2HE LYS 56 -0.478 -0.965 15.639 457 HE3 LYS 56 3HE LYS 56 1.009 -1.919 15.672 458 HZ1 LYS 56 3HZ LYS 56 0.107 -0.013 17.772 459 HZ2 LYS 56 1HZ LYS 56 1.571 -0.864 17.788 460 HZ3 LYS 56 2HZ LYS 56 0.105 -1.701 17.875 461 H GLU 57 H GLU 57 -1.600 2.441 11.139 462 HA GLU 57 HA GLU 57 -4.079 1.123 10.549 463 HB2 GLU 57 2HB GLU 57 -3.173 4.004 10.048 464 HB3 GLU 57 3HB GLU 57 -4.807 3.425 9.721 465 HG2 GLU 57 2HG GLU 57 -5.108 2.867 12.096 466 HG3 GLU 57 3HG GLU 57 -3.451 3.367 12.422 467 H LEU 58 H LEU 58 -1.423 2.418 8.583 468 HA LEU 58 HA LEU 58 -2.489 1.837 6.013 469 HB2 LEU 58 2HB LEU 58 0.274 2.450 7.066 470 HB3 LEU 58 3HB LEU 58 0.166 1.704 5.485 471 HG LEU 58 HG LEU 58 0.378 4.082 5.188 472 HD11 LEU 58 1HD1 LEU 58 -1.041 2.966 3.555 473 HD12 LEU 58 2HD1 LEU 58 -1.595 4.614 3.827 474 HD13 LEU 58 3HD1 LEU 58 -2.474 3.263 4.546 475 HD21 LEU 58 3HD2 LEU 58 -2.081 4.471 6.924 476 HD22 LEU 58 1HD2 LEU 58 -1.232 5.737 6.029 477 HD23 LEU 58 2HD2 LEU 58 -0.421 4.895 7.346 478 H ALA 59 H ALA 59 -0.845 -0.113 8.411 479 HA ALA 59 HA ALA 59 -0.223 -2.372 6.840 480 HB1 ALA 59 3HB ALA 59 0.753 -1.981 9.065 481 HB2 ALA 59 1HB ALA 59 -0.031 -3.558 8.989 482 HB3 ALA 59 2HB ALA 59 -0.825 -2.217 9.819 483 H LYS 60 H LYS 60 -3.129 -1.532 8.766 484 HA LYS 60 HA LYS 60 -4.596 -3.913 8.256 485 HB2 LYS 60 2HB LYS 60 -5.396 -1.142 9.169 486 HB3 LYS 60 3HB LYS 60 -6.654 -2.275 8.695 487 HG2 LYS 60 2HG LYS 60 -6.394 -2.326 11.094 488 HG3 LYS 60 3HG LYS 60 -5.859 -3.871 10.428 489 HD2 LYS 60 2HD LYS 60 -3.529 -3.265 10.734 490 HD3 LYS 60 3HD LYS 60 -3.970 -1.610 11.168 491 HE2 LYS 60 2HE LYS 60 -4.620 -4.095 12.788 492 HE3 LYS 60 3HE LYS 60 -3.366 -2.909 13.158 493 HZ1 LYS 60 3HZ LYS 60 -5.131 -1.216 13.313 494 HZ2 LYS 60 1HZ LYS 60 -5.285 -2.442 14.467 495 HZ3 LYS 60 2HZ LYS 60 -6.293 -2.426 13.112 496 H GLU 61 H GLU 61 -4.435 -0.757 6.584 497 HA GLU 61 HA GLU 61 -6.366 -1.239 4.598 498 HB2 GLU 61 2HB GLU 61 -3.891 0.543 4.490 499 HB3 GLU 61 3HB GLU 61 -5.197 0.575 3.305 500 HG2 GLU 61 2HG GLU 61 -5.389 1.258 6.236 501 HG3 GLU 61 3HG GLU 61 -5.485 2.384 4.884 502 H ALA 62 H ALA 62 -2.898 -1.823 4.671 503 HA ALA 62 HA ALA 62 -2.407 -2.731 2.116 504 HB1 ALA 62 3HB ALA 62 -0.695 -2.223 3.845 505 HB2 ALA 62 1HB ALA 62 -0.409 -3.777 3.073 506 HB3 ALA 62 2HB ALA 62 -1.110 -3.714 4.692 507 H GLU 63 H GLU 63 -3.319 -4.656 4.980 508 HA GLU 63 HA GLU 63 -3.315 -7.163 3.614 509 HB2 GLU 63 2HB GLU 63 -4.478 -6.425 6.328 510 HB3 GLU 63 3HB GLU 63 -4.229 -8.069 5.736 511 HG2 GLU 63 2HG GLU 63 -1.782 -7.607 5.557 512 HG3 GLU 63 3HG GLU 63 -2.065 -6.004 6.233 513 H ARG 64 H ARG 64 -5.933 -4.853 4.334 514 HA ARG 64 HA ARG 64 -8.024 -6.707 3.592 515 HB2 ARG 64 2HB ARG 64 -9.587 -4.817 3.766 516 HB3 ARG 64 3HB ARG 64 -8.554 -4.930 5.184 517 HG2 ARG 64 2HG ARG 64 -7.174 -3.080 4.317 518 HG3 ARG 64 3HG ARG 64 -8.231 -2.955 2.913 519 HD2 ARG 64 2HD ARG 64 -9.177 -2.596 5.780 520 HD3 ARG 64 3HD ARG 64 -8.683 -1.266 4.728 521 HE ARG 64 HE ARG 64 -10.966 -3.070 4.134 522 HH11 ARG 64 1HH1 ARG 64 -9.563 0.164 4.206 523 HH12 ARG 64 2HH1 ARG 64 -10.969 0.910 3.518 524 HH21 ARG 64 1HH2 ARG 64 -12.774 -2.076 3.187 525 HH22 ARG 64 2HH2 ARG 64 -12.789 -0.360 2.940 526 H LEU 65 H LEU 65 -6.211 -4.146 1.924 527 HA LEU 65 HA LEU 65 -7.741 -4.305 -0.520 528 HB2 LEU 65 2HB LEU 65 -4.985 -3.127 0.017 529 HB3 LEU 65 3HB LEU 65 -5.864 -2.950 -1.494 530 HG LEU 65 HG LEU 65 -6.761 -1.863 1.205 531 HD11 LEU 65 1HD1 LEU 65 -5.681 -0.389 -1.215 532 HD12 LEU 65 2HD1 LEU 65 -4.847 -0.648 0.318 533 HD13 LEU 65 3HD1 LEU 65 -6.293 0.354 0.269 534 HD21 LEU 65 3HD2 LEU 65 -8.080 -1.517 -1.507 535 HD22 LEU 65 1HD2 LEU 65 -8.553 -0.706 -0.012 536 HD23 LEU 65 2HD2 LEU 65 -8.707 -2.455 -0.148 537 H ALA 66 H ALA 66 -4.977 -5.946 0.811 538 HA ALA 66 HA ALA 66 -4.010 -7.305 -1.446 539 HB1 ALA 66 3HB ALA 66 -2.840 -7.275 0.716 540 HB2 ALA 66 1HB ALA 66 -3.065 -8.923 0.129 541 HB3 ALA 66 2HB ALA 66 -4.094 -8.295 1.423 542 H LYS 67 H LYS 67 -6.497 -8.308 0.929 543 HA LYS 67 HA LYS 67 -7.073 -10.768 -0.480 544 HB2 LYS 67 2HB LYS 67 -8.751 -11.160 1.237 545 HB3 LYS 67 3HB LYS 67 -7.272 -10.583 1.994 546 HG2 LYS 67 2HG LYS 67 -8.268 -8.321 2.194 547 HG3 LYS 67 3HG LYS 67 -9.762 -8.919 1.474 548 HD2 LYS 67 2HD LYS 67 -8.552 -9.789 4.129 549 HD3 LYS 67 3HD LYS 67 -9.988 -8.788 3.905 550 HE2 LYS 67 2HE LYS 67 -9.696 -11.697 3.094 551 HE3 LYS 67 3HE LYS 67 -10.607 -11.082 4.468 552 HZ1 LYS 67 3HZ LYS 67 -12.047 -9.896 2.914 553 HZ2 LYS 67 1HZ LYS 67 -12.076 -11.564 2.649 554 HZ3 LYS 67 2HZ LYS 67 -11.208 -10.558 1.606 555 H GLU 68 H GLU 68 -8.285 -7.514 -0.521 556 HA GLU 68 HA GLU 68 -10.865 -7.903 -1.659 557 HB2 GLU 68 2HB GLU 68 -10.060 -5.794 -0.539 558 HB3 GLU 68 3HB GLU 68 -8.997 -5.494 -1.906 559 HG2 GLU 68 2HG GLU 68 -10.885 -4.097 -2.221 560 HG3 GLU 68 3HG GLU 68 -11.090 -5.428 -3.357 561 H PHE 69 H PHE 69 -7.744 -6.918 -3.091 562 HA PHE 69 HA PHE 69 -8.757 -7.216 -5.813 563 HB2 PHE 69 2HB PHE 69 -6.117 -6.144 -4.724 564 HB3 PHE 69 3HB PHE 69 -6.581 -6.133 -6.419 565 HD1 PHE 69 HD1 PHE 69 -8.865 -4.923 -6.982 566 HD2 PHE 69 HD2 PHE 69 -6.601 -4.217 -3.429 567 HE1 PHE 69 HE1 PHE 69 -9.981 -2.753 -6.688 568 HE2 PHE 69 HE2 PHE 69 -7.725 -2.050 -3.141 569 HZ PHE 69 HZ PHE 69 -9.419 -1.315 -4.768 570 H ASN 70 H ASN 70 -7.559 -9.346 -3.676 571 HA ASN 70 HA ASN 70 -6.630 -11.398 -3.724 572 HB2 ASN 70 2HB ASN 70 -8.459 -11.774 -5.417 573 HB3 ASN 70 3HB ASN 70 -7.325 -11.369 -6.704 574 HD21 ASN 70 1HD2 ASN 70 -7.366 -13.367 -7.701 575 HD22 ASN 70 2HD2 ASN 70 -6.752 -14.814 -6.985 576 H ILE 71 H ILE 71 -4.770 -9.624 -3.602 577 HA ILE 71 HA ILE 71 -2.499 -10.631 -5.192 578 HB ILE 71 HB ILE 71 -1.501 -8.318 -5.084 579 HG12 ILE 71 2HG1 ILE 71 -4.257 -7.513 -4.014 580 HG13 ILE 71 3HG1 ILE 71 -2.713 -7.345 -3.187 581 HG21 ILE 71 1HG2 ILE 71 -2.799 -7.341 -6.928 582 HG22 ILE 71 2HG2 ILE 71 -4.164 -8.397 -6.559 583 HG23 ILE 71 3HG2 ILE 71 -2.651 -9.088 -7.143 584 HD11 ILE 71 3HD1 ILE 71 -3.619 -5.808 -5.624 585 HD12 ILE 71 1HD1 ILE 71 -2.018 -5.687 -4.886 586 HD13 ILE 71 2HD1 ILE 71 -3.448 -5.201 -3.977 587 H THR 72 H THR 72 -0.500 -10.632 -3.998 588 HA THR 72 HA THR 72 -0.788 -11.171 -1.163 589 HB THR 72 HB THR 72 1.743 -11.672 -1.402 590 HG1 THR 72 HG1 THR 72 1.170 -11.569 -4.179 591 HG21 THR 72 3HG2 THR 72 0.059 -13.483 -1.386 592 HG22 THR 72 1HG2 THR 72 1.384 -13.845 -2.493 593 HG23 THR 72 2HG2 THR 72 -0.166 -13.292 -3.128 594 H VAL 73 H VAL 73 0.241 -9.992 0.475 595 HA VAL 73 HA VAL 73 1.547 -7.440 -0.248 596 HB VAL 73 HB VAL 73 -0.866 -7.111 0.522 597 HG11 VAL 73 1HG1 VAL 73 -1.400 -7.236 2.925 598 HG12 VAL 73 2HG1 VAL 73 0.163 -7.993 3.245 599 HG13 VAL 73 3HG1 VAL 73 -1.033 -8.824 2.249 600 HG21 VAL 73 3HG2 VAL 73 0.758 -5.282 0.576 601 HG22 VAL 73 1HG2 VAL 73 1.274 -5.753 2.200 602 HG23 VAL 73 2HG2 VAL 73 -0.370 -5.166 1.925 603 H THR 74 H THR 74 3.125 -6.779 1.119 604 HA THR 74 HA THR 74 3.543 -7.962 3.735 605 HB THR 74 HB THR 74 4.964 -9.358 2.222 606 HG1 THR 74 HG1 THR 74 5.606 -8.645 4.436 607 HG21 THR 74 3HG2 THR 74 6.937 -8.400 1.095 608 HG22 THR 74 1HG2 THR 74 6.438 -6.773 1.567 609 HG23 THR 74 2HG2 THR 74 5.451 -7.708 0.441 610 H TYR 75 H TYR 75 4.770 -6.513 5.078 611 HA TYR 75 HA TYR 75 5.620 -3.952 3.994 612 HB2 TYR 75 2HB TYR 75 4.269 -2.715 5.797 613 HB3 TYR 75 3HB TYR 75 3.356 -3.326 4.424 614 HD1 TYR 75 HD1 TYR 75 4.158 -4.026 8.029 615 HD2 TYR 75 HD2 TYR 75 1.535 -4.862 4.755 616 HE1 TYR 75 HE1 TYR 75 2.627 -5.204 9.549 617 HE2 TYR 75 HE2 TYR 75 0.016 -6.026 6.284 618 HH TYR 75 HH TYR 75 0.061 -7.134 8.417 619 H THR 76 H THR 76 7.010 -2.828 5.346 620 HA THR 76 HA THR 76 8.189 -4.363 7.577 621 HB THR 76 HB THR 76 9.525 -2.243 5.812 622 HG1 THR 76 HG1 THR 76 9.212 -4.995 5.605 623 HG21 THR 76 3HG2 THR 76 11.635 -3.048 6.907 624 HG22 THR 76 1HG2 THR 76 10.673 -4.086 7.962 625 HG23 THR 76 2HG2 THR 76 10.529 -2.332 8.080 626 H ILE 77 H ILE 77 7.736 -3.565 9.495 627 HA ILE 77 HA ILE 77 8.089 -0.784 10.198 628 HB ILE 77 HB ILE 77 5.891 -0.875 11.655 629 HG12 ILE 77 2HG1 ILE 77 5.061 -2.819 9.450 630 HG13 ILE 77 3HG1 ILE 77 5.303 -3.235 11.141 631 HG21 ILE 77 1HG2 ILE 77 5.649 -0.354 8.688 632 HG22 ILE 77 2HG2 ILE 77 6.241 0.783 9.899 633 HG23 ILE 77 3HG2 ILE 77 4.559 0.252 9.940 634 HD11 ILE 77 3HD1 ILE 77 3.170 -1.405 10.046 635 HD12 ILE 77 1HD1 ILE 77 3.439 -1.756 11.757 636 HD13 ILE 77 2HD1 ILE 77 2.962 -3.047 10.657 637 H ARG 78 H ARG 78 9.445 -0.962 11.872 638 HA ARG 78 HA ARG 78 9.133 -3.170 13.835 639 HB2 ARG 78 2HB ARG 78 11.710 -1.824 12.924 640 HB3 ARG 78 3HB ARG 78 11.600 -3.008 14.223 641 HG2 ARG 78 2HG ARG 78 10.756 -4.678 12.543 642 HG3 ARG 78 3HG ARG 78 11.042 -3.475 11.282 643 HD2 ARG 78 2HD ARG 78 13.130 -4.658 13.130 644 HD3 ARG 78 3HD ARG 78 12.909 -5.042 11.419 645 HE ARG 78 HE ARG 78 13.290 -2.275 11.671 646 HH11 ARG 78 1HH1 ARG 78 15.193 -5.219 12.042 647 HH12 ARG 78 2HH1 ARG 78 16.693 -4.430 11.669 648 HH21 ARG 78 1HH2 ARG 78 15.254 -1.268 11.211 649 HH22 ARG 78 2HH2 ARG 78 16.722 -2.195 11.200 650 H GLY 79 H GLY 79 8.091 -2.229 15.418 651 HA2 GLY 79 2HA GLY 79 9.058 0.311 16.636 652 HA3 GLY 79 3HA GLY 79 7.344 -0.046 16.405 653 H SER 80 H SER 80 10.266 -1.523 17.739 654 HA SER 80 HA SER 80 10.762 -2.704 19.589 655 HB2 SER 80 2HB SER 80 9.898 -0.627 20.731 656 HB3 SER 80 3HB SER 80 8.308 -1.383 20.843 657 HG SER 80 HG SER 80 10.618 -2.632 21.890 658 H LEU 81 H LEU 81 9.275 -3.948 17.559 659 HA LEU 81 HA LEU 81 7.154 -5.601 18.291 660 HB2 LEU 81 2HB LEU 81 9.449 -6.110 16.349 661 HB3 LEU 81 3HB LEU 81 8.093 -7.216 16.512 662 HG LEU 81 HG LEU 81 7.903 -4.325 15.582 663 HD11 LEU 81 1HD1 LEU 81 7.683 -6.915 14.004 664 HD12 LEU 81 2HD1 LEU 81 9.000 -5.739 13.921 665 HD13 LEU 81 3HD1 LEU 81 7.388 -5.289 13.376 666 HD21 LEU 81 3HD2 LEU 81 5.730 -6.449 15.809 667 HD22 LEU 81 1HD2 LEU 81 5.544 -4.877 15.024 668 HD23 LEU 81 2HD2 LEU 81 5.856 -4.963 16.754 669 H GLU 82 H GLU 82 10.583 -6.426 18.226 670 HA GLU 82 HA GLU 82 10.372 -8.845 19.695 671 HB2 GLU 82 2HB GLU 82 12.849 -8.752 19.784 672 HB3 GLU 82 3HB GLU 82 12.260 -8.437 18.156 673 HG2 GLU 82 2HG GLU 82 12.614 -5.995 18.523 674 HG3 GLU 82 3HG GLU 82 13.236 -6.347 20.132 675 H HIS 83 H HIS 83 9.993 -9.020 21.818 676 HA HIS 83 HA HIS 83 10.297 -6.844 23.698 677 HB2 HIS 83 2HB HIS 83 9.695 -9.805 24.198 678 HB3 HIS 83 3HB HIS 83 9.553 -8.512 25.389 679 HD1 HIS 83 HD1 HIS 83 7.436 -10.460 23.408 680 HD2 HIS 83 HD2 HIS 83 7.693 -6.373 24.103 681 HE1 HIS 83 HE1 HIS 83 5.205 -9.527 22.740 682 HE2 HIS 83 HE2 HIS 83 5.449 -7.040 23.007 683 H HIS 84 H HIS 84 12.392 -6.241 23.808 684 HA HIS 84 HA HIS 84 14.608 -7.995 23.558 685 HB2 HIS 84 2HB HIS 84 14.605 -5.520 22.941 686 HB3 HIS 84 3HB HIS 84 14.691 -5.147 24.661 687 HD1 HIS 84 HD1 HIS 84 17.005 -4.898 25.543 688 HD2 HIS 84 HD2 HIS 84 16.914 -7.207 22.092 689 HE1 HIS 84 HE1 HIS 84 19.398 -5.467 25.047 690 HE2 HIS 84 HE2 HIS 84 19.296 -7.016 23.069 691 H HIS 85 H HIS 85 13.029 -6.457 26.347 692 HA HIS 85 HA HIS 85 13.700 -8.717 27.975 693 HB2 HIS 85 2HB HIS 85 15.012 -7.664 29.710 694 HB3 HIS 85 3HB HIS 85 15.818 -7.287 28.193 695 HD1 HIS 85 HD1 HIS 85 15.181 -5.713 31.238 696 HD2 HIS 85 HD2 HIS 85 14.616 -4.517 27.295 697 HE1 HIS 85 HE1 HIS 85 15.034 -3.211 31.301 698 HE2 HIS 85 HE2 HIS 85 14.516 -2.530 28.945 699 H HIS 86 H HIS 86 12.070 -9.014 29.432 700 HA HIS 86 HA HIS 86 10.016 -6.978 29.834 701 HB2 HIS 86 2HB HIS 86 10.354 -9.818 30.901 702 HB3 HIS 86 3HB HIS 86 9.002 -8.783 31.350 703 HD1 HIS 86 HD1 HIS 86 7.048 -8.700 29.773 704 HD2 HIS 86 HD2 HIS 86 10.333 -10.581 28.072 705 HE1 HIS 86 HE1 HIS 86 6.218 -9.702 27.634 706 HE2 HIS 86 HE2 HIS 86 8.145 -11.062 26.803 707 H HIS 87 H HIS 87 9.738 -5.794 31.744 708 HA HIS 87 HA HIS 87 11.632 -6.149 33.968 709 HB2 HIS 87 2HB HIS 87 12.705 -4.540 32.393 710 HB3 HIS 87 3HB HIS 87 11.277 -3.515 32.455 711 HD1 HIS 87 HD1 HIS 87 14.278 -4.528 34.456 712 HD2 HIS 87 HD2 HIS 87 11.071 -1.904 34.768 713 HE1 HIS 87 HE1 HIS 87 14.839 -2.998 36.363 714 HE2 HIS 87 HE2 HIS 87 12.877 -1.444 36.556 715 H HIS 88 H HIS 88 10.323 -6.370 35.643 716 HA HIS 88 HA HIS 88 7.779 -4.961 35.910 717 HB2 HIS 88 2HB HIS 88 9.156 -7.028 37.700 718 HB3 HIS 88 3HB HIS 88 7.612 -6.275 38.089 719 HD1 HIS 88 HD1 HIS 88 5.727 -7.764 37.540 720 HD2 HIS 88 HD2 HIS 88 8.891 -8.327 34.911 721 HE1 HIS 88 HE1 HIS 88 4.999 -9.602 36.002 722 HE2 HIS 88 HE2 HIS 88 6.950 -9.970 34.475 Start of MODEL 17 1 H1 MET 1 1H MET 1 13.027 6.400 12.283 2 H2 MET 1 2H MET 1 12.647 7.339 13.633 3 H3 MET 1 3H MET 1 11.442 6.428 12.878 4 HA MET 1 HA MET 1 13.804 5.402 14.325 5 HB2 MET 1 2HB MET 1 12.306 4.670 16.056 6 HB3 MET 1 3HB MET 1 11.913 6.349 15.721 7 HG2 MET 1 2HG MET 1 10.348 3.924 14.797 8 HG3 MET 1 3HG MET 1 9.887 5.048 16.075 9 HE1 MET 1 3HE MET 1 7.497 5.337 14.971 10 HE2 MET 1 1HE MET 1 7.928 4.225 13.667 11 HE3 MET 1 2HE MET 1 7.242 5.806 13.291 12 H GLY 2 H GLY 2 11.466 4.841 11.914 13 HA2 GLY 2 2HA GLY 2 12.396 2.517 10.835 14 HA3 GLY 2 3HA GLY 2 11.262 1.982 12.080 15 H GLU 3 H GLU 3 11.612 3.632 9.020 16 HA GLU 3 HA GLU 3 8.844 4.462 8.822 17 HB2 GLU 3 2HB GLU 3 9.434 5.369 6.648 18 HB3 GLU 3 3HB GLU 3 10.662 5.815 7.831 19 HG2 GLU 3 2HG GLU 3 12.070 3.894 6.943 20 HG3 GLU 3 3HG GLU 3 10.875 3.708 5.658 21 H MET 4 H MET 4 7.781 3.893 6.523 22 HA MET 4 HA MET 4 7.470 0.961 6.706 23 HB2 MET 4 2HB MET 4 5.647 2.246 7.811 24 HB3 MET 4 3HB MET 4 5.287 3.046 6.281 25 HG2 MET 4 2HG MET 4 4.643 0.897 5.298 26 HG3 MET 4 3HG MET 4 5.093 0.068 6.794 27 HE1 MET 4 3HE MET 4 1.342 -0.363 7.304 28 HE2 MET 4 1HE MET 4 2.941 -1.054 7.571 29 HE3 MET 4 2HE MET 4 2.376 -0.740 5.929 30 H ASP 5 H ASP 5 7.741 -0.154 4.887 31 HA ASP 5 HA ASP 5 7.260 1.098 2.251 32 HB2 ASP 5 2HB ASP 5 9.116 -1.270 2.839 33 HB3 ASP 5 3HB ASP 5 8.941 -0.406 1.312 34 H ILE 6 H ILE 6 5.500 0.181 1.302 35 HA ILE 6 HA ILE 6 4.456 -2.415 2.299 36 HB ILE 6 HB ILE 6 2.834 -0.119 1.089 37 HG12 ILE 6 2HG1 ILE 6 3.087 -0.864 4.036 38 HG13 ILE 6 3HG1 ILE 6 3.838 0.539 3.287 39 HG21 ILE 6 1HG2 ILE 6 1.791 -2.329 0.801 40 HG22 ILE 6 2HG2 ILE 6 0.867 -1.353 1.944 41 HG23 ILE 6 3HG2 ILE 6 1.926 -2.637 2.536 42 HD11 ILE 6 3HD1 ILE 6 1.873 1.193 4.486 43 HD12 ILE 6 1HD1 ILE 6 0.881 0.042 3.591 44 HD13 ILE 6 2HD1 ILE 6 1.605 1.423 2.761 45 H ARG 7 H ARG 7 4.986 -3.887 0.760 46 HA ARG 7 HA ARG 7 4.984 -3.133 -2.092 47 HB2 ARG 7 2HB ARG 7 7.146 -3.917 -1.277 48 HB3 ARG 7 3HB ARG 7 6.413 -5.361 -0.598 49 HG2 ARG 7 2HG ARG 7 5.854 -6.127 -2.904 50 HG3 ARG 7 3HG ARG 7 6.660 -4.698 -3.547 51 HD2 ARG 7 2HD ARG 7 8.019 -6.803 -1.835 52 HD3 ARG 7 3HD ARG 7 8.047 -6.786 -3.599 53 HE ARG 7 HE ARG 7 9.244 -4.674 -1.881 54 HH11 ARG 7 1HH1 ARG 7 9.291 -6.577 -4.854 55 HH12 ARG 7 2HH1 ARG 7 10.766 -5.872 -5.414 56 HH21 ARG 7 1HH2 ARG 7 11.194 -3.787 -2.644 57 HH22 ARG 7 2HH2 ARG 7 11.849 -4.287 -4.166 58 H PHE 8 H PHE 8 3.391 -3.878 -3.326 59 HA PHE 8 HA PHE 8 1.744 -6.204 -2.536 60 HB2 PHE 8 2HB PHE 8 1.202 -3.879 -4.442 61 HB3 PHE 8 3HB PHE 8 0.163 -5.294 -4.351 62 HD1 PHE 8 HD1 PHE 8 1.282 -2.248 -2.550 63 HD2 PHE 8 HD2 PHE 8 -1.383 -5.601 -2.499 64 HE1 PHE 8 HE1 PHE 8 -0.037 -1.194 -0.766 65 HE2 PHE 8 HE2 PHE 8 -2.690 -4.534 -0.716 66 HZ PHE 8 HZ PHE 8 -2.019 -2.330 0.154 67 H ARG 9 H ARG 9 1.493 -7.892 -4.030 68 HA ARG 9 HA ARG 9 3.016 -7.908 -6.544 69 HB2 ARG 9 2HB ARG 9 4.416 -8.792 -4.498 70 HB3 ARG 9 3HB ARG 9 3.323 -10.164 -4.513 71 HG2 ARG 9 2HG ARG 9 4.031 -10.755 -6.784 72 HG3 ARG 9 3HG ARG 9 5.066 -9.326 -6.853 73 HD2 ARG 9 2HD ARG 9 6.382 -10.245 -4.933 74 HD3 ARG 9 3HD ARG 9 5.387 -11.704 -4.991 75 HE ARG 9 HE ARG 9 6.360 -11.472 -7.521 76 HH11 ARG 9 1HH1 ARG 9 7.873 -11.649 -4.358 77 HH12 ARG 9 2HH1 ARG 9 9.323 -12.388 -4.959 78 HH21 ARG 9 1HH2 ARG 9 8.290 -12.376 -8.313 79 HH22 ARG 9 2HH2 ARG 9 9.559 -12.799 -7.208 80 H GLY 10 H GLY 10 1.769 -8.987 -8.127 81 HA2 GLY 10 2HA GLY 10 -0.336 -10.846 -7.300 82 HA3 GLY 10 3HA GLY 10 -0.913 -9.267 -7.813 83 H ASP 11 H ASP 11 -1.552 -11.748 -8.914 84 HA ASP 11 HA ASP 11 -0.320 -12.408 -11.350 85 HB2 ASP 11 2HB ASP 11 -1.929 -13.883 -10.218 86 HB3 ASP 11 3HB ASP 11 -3.208 -12.687 -10.395 87 H ASP 12 H ASP 12 -2.748 -10.024 -10.511 88 HA ASP 12 HA ASP 12 -3.037 -9.134 -13.319 89 HB2 ASP 12 2HB ASP 12 -5.092 -9.980 -12.097 90 HB3 ASP 12 3HB ASP 12 -4.913 -8.650 -10.959 91 H LEU 13 H LEU 13 -1.942 -7.331 -13.799 92 HA LEU 13 HA LEU 13 -0.577 -5.627 -12.055 93 HB2 LEU 13 2HB LEU 13 -0.141 -5.998 -14.518 94 HB3 LEU 13 3HB LEU 13 -1.507 -4.968 -14.881 95 HG LEU 13 HG LEU 13 0.923 -3.920 -13.347 96 HD11 LEU 13 1HD1 LEU 13 1.822 -3.070 -15.481 97 HD12 LEU 13 2HD1 LEU 13 0.548 -3.924 -16.359 98 HD13 LEU 13 3HD1 LEU 13 1.759 -4.830 -15.447 99 HD21 LEU 13 3HD2 LEU 13 0.228 -1.700 -14.214 100 HD22 LEU 13 1HD2 LEU 13 -1.046 -2.439 -13.246 101 HD23 LEU 13 2HD2 LEU 13 -1.166 -2.445 -15.006 102 H GLU 14 H GLU 14 -3.893 -5.403 -13.319 103 HA GLU 14 HA GLU 14 -4.263 -2.625 -12.611 104 HB2 GLU 14 2HB GLU 14 -6.327 -4.735 -13.324 105 HB3 GLU 14 3HB GLU 14 -6.706 -3.036 -13.040 106 HG2 GLU 14 2HG GLU 14 -5.256 -2.411 -14.946 107 HG3 GLU 14 3HG GLU 14 -4.932 -4.121 -15.251 108 H ALA 15 H ALA 15 -4.804 -5.738 -11.046 109 HA ALA 15 HA ALA 15 -6.390 -4.889 -8.862 110 HB1 ALA 15 3HB ALA 15 -6.109 -7.258 -9.461 111 HB2 ALA 15 1HB ALA 15 -5.586 -6.992 -7.799 112 HB3 ALA 15 2HB ALA 15 -4.387 -7.177 -9.078 113 H LEU 16 H LEU 16 -2.893 -5.055 -9.410 114 HA LEU 16 HA LEU 16 -1.987 -4.032 -6.915 115 HB2 LEU 16 2HB LEU 16 -0.651 -3.938 -9.651 116 HB3 LEU 16 3HB LEU 16 0.161 -3.660 -8.115 117 HG LEU 16 HG LEU 16 -1.103 -6.294 -8.975 118 HD11 LEU 16 1HD1 LEU 16 1.823 -5.523 -8.857 119 HD12 LEU 16 2HD1 LEU 16 0.867 -5.792 -10.319 120 HD13 LEU 16 3HD1 LEU 16 1.179 -7.132 -9.217 121 HD21 LEU 16 3HD2 LEU 16 0.577 -5.640 -6.533 122 HD22 LEU 16 1HD2 LEU 16 0.013 -7.245 -7.008 123 HD23 LEU 16 2HD2 LEU 16 -1.150 -6.010 -6.546 124 H GLU 17 H GLU 17 -2.937 -2.524 -9.976 125 HA GLU 17 HA GLU 17 -1.889 0.058 -9.589 126 HB2 GLU 17 2HB GLU 17 -2.440 -0.935 -11.792 127 HB3 GLU 17 3HB GLU 17 -4.149 -0.962 -11.353 128 HG2 GLU 17 2HG GLU 17 -4.023 1.548 -11.139 129 HG3 GLU 17 3HG GLU 17 -2.412 1.448 -11.838 130 H LYS 18 H LYS 18 -5.135 -1.333 -9.025 131 HA LYS 18 HA LYS 18 -6.255 1.181 -8.158 132 HB2 LYS 18 2HB LYS 18 -7.403 -1.627 -8.266 133 HB3 LYS 18 3HB LYS 18 -8.255 -0.334 -7.437 134 HG2 LYS 18 2HG LYS 18 -9.238 -0.442 -9.587 135 HG3 LYS 18 3HG LYS 18 -8.188 0.976 -9.631 136 HD2 LYS 18 2HD LYS 18 -6.487 -0.302 -10.864 137 HD3 LYS 18 3HD LYS 18 -7.468 -1.761 -10.744 138 HE2 LYS 18 2HE LYS 18 -7.737 -0.886 -12.965 139 HE3 LYS 18 3HE LYS 18 -9.244 -0.589 -12.099 140 HZ1 LYS 18 3HZ LYS 18 -8.429 1.701 -11.686 141 HZ2 LYS 18 1HZ LYS 18 -8.660 1.359 -13.326 142 HZ3 LYS 18 2HZ LYS 18 -7.099 1.382 -12.674 143 H ALA 19 H ALA 19 -4.883 -1.737 -6.598 144 HA ALA 19 HA ALA 19 -5.429 -1.077 -3.900 145 HB1 ALA 19 3HB ALA 19 -2.992 -2.513 -5.027 146 HB2 ALA 19 1HB ALA 19 -4.514 -3.275 -4.551 147 HB3 ALA 19 2HB ALA 19 -3.494 -2.505 -3.334 148 H LEU 20 H LEU 20 -2.737 -0.237 -6.038 149 HA LEU 20 HA LEU 20 -1.158 1.391 -4.465 150 HB2 LEU 20 2HB LEU 20 -0.485 0.703 -6.691 151 HB3 LEU 20 3HB LEU 20 -1.843 1.534 -7.417 152 HG LEU 20 HG LEU 20 -0.841 3.731 -6.742 153 HD11 LEU 20 1HD1 LEU 20 1.480 3.839 -5.993 154 HD12 LEU 20 2HD1 LEU 20 1.534 2.078 -5.863 155 HD13 LEU 20 3HD1 LEU 20 0.457 3.015 -4.821 156 HD21 LEU 20 3HD2 LEU 20 0.959 2.002 -8.455 157 HD22 LEU 20 1HD2 LEU 20 0.921 3.769 -8.430 158 HD23 LEU 20 2HD2 LEU 20 -0.483 2.867 -8.996 159 H LYS 21 H LYS 21 -3.879 2.374 -6.574 160 HA LYS 21 HA LYS 21 -3.841 5.124 -6.087 161 HB2 LYS 21 2HB LYS 21 -5.022 3.961 -7.959 162 HB3 LYS 21 3HB LYS 21 -6.226 3.365 -6.828 163 HG2 LYS 21 2HG LYS 21 -5.783 6.342 -7.163 164 HG3 LYS 21 3HG LYS 21 -6.746 5.455 -8.341 165 HD2 LYS 21 2HD LYS 21 -7.332 5.685 -5.356 166 HD3 LYS 21 3HD LYS 21 -8.169 6.550 -6.646 167 HE2 LYS 21 2HE LYS 21 -8.964 4.366 -7.548 168 HE3 LYS 21 3HE LYS 21 -8.176 3.543 -6.197 169 HZ1 LYS 21 3HZ LYS 21 -10.335 5.562 -5.965 170 HZ2 LYS 21 1HZ LYS 21 -9.592 4.751 -4.679 171 HZ3 LYS 21 2HZ LYS 21 -10.523 3.892 -5.793 172 H GLU 22 H GLU 22 -5.476 2.496 -4.391 173 HA GLU 22 HA GLU 22 -6.938 4.040 -2.524 174 HB2 GLU 22 2HB GLU 22 -5.936 1.173 -2.411 175 HB3 GLU 22 3HB GLU 22 -6.984 1.871 -1.182 176 HG2 GLU 22 2HG GLU 22 -7.736 1.673 -4.118 177 HG3 GLU 22 3HG GLU 22 -8.130 0.443 -2.916 178 H MET 23 H MET 23 -3.681 2.538 -2.325 179 HA MET 23 HA MET 23 -3.220 3.277 0.411 180 HB2 MET 23 2HB MET 23 -1.227 2.438 -1.723 181 HB3 MET 23 3HB MET 23 -0.861 2.592 -0.005 182 HG2 MET 23 2HG MET 23 -2.792 0.633 -1.267 183 HG3 MET 23 3HG MET 23 -1.216 0.262 -0.574 184 HE1 MET 23 3HE MET 23 -0.710 0.248 2.011 185 HE2 MET 23 1HE MET 23 -1.862 0.745 3.251 186 HE3 MET 23 2HE MET 23 -1.186 1.943 2.146 187 H ILE 24 H ILE 24 -2.502 4.861 -2.658 188 HA ILE 24 HA ILE 24 -0.895 6.993 -1.667 189 HB ILE 24 HB ILE 24 -2.675 6.800 -4.145 190 HG12 ILE 24 2HG1 ILE 24 0.361 6.632 -3.838 191 HG13 ILE 24 3HG1 ILE 24 -0.717 5.287 -4.185 192 HG21 ILE 24 1HG2 ILE 24 -2.491 9.174 -3.542 193 HG22 ILE 24 2HG2 ILE 24 -1.562 8.847 -5.003 194 HG23 ILE 24 3HG2 ILE 24 -0.733 9.037 -3.458 195 HD11 ILE 24 3HD1 ILE 24 -0.155 7.630 -6.008 196 HD12 ILE 24 1HD1 ILE 24 -1.266 6.301 -6.355 197 HD13 ILE 24 2HD1 ILE 24 0.458 5.986 -6.175 198 H ARG 25 H ARG 25 -4.351 6.710 -2.446 199 HA ARG 25 HA ARG 25 -5.495 9.033 -1.564 200 HB2 ARG 25 2HB ARG 25 -6.904 7.474 -2.634 201 HB3 ARG 25 3HB ARG 25 -6.350 6.141 -1.643 202 HG2 ARG 25 2HG ARG 25 -7.658 7.150 0.282 203 HG3 ARG 25 3HG ARG 25 -8.358 8.275 -0.889 204 HD2 ARG 25 2HD ARG 25 -9.287 6.388 -2.172 205 HD3 ARG 25 3HD ARG 25 -8.519 5.236 -1.068 206 HE ARG 25 HE ARG 25 -10.159 7.012 0.384 207 HH11 ARG 25 1HH1 ARG 25 -10.498 4.243 -1.763 208 HH12 ARG 25 2HH1 ARG 25 -12.015 3.764 -1.078 209 HH21 ARG 25 1HH2 ARG 25 -12.111 6.339 1.272 210 HH22 ARG 25 2HH2 ARG 25 -12.927 4.948 0.639 211 H GLN 26 H GLN 26 -4.663 6.185 0.441 212 HA GLN 26 HA GLN 26 -5.631 7.240 2.901 213 HB2 GLN 26 2HB GLN 26 -3.539 5.053 2.571 214 HB3 GLN 26 3HB GLN 26 -4.509 5.377 4.004 215 HG2 GLN 26 2HG GLN 26 -5.397 4.197 1.373 216 HG3 GLN 26 3HG GLN 26 -5.438 3.453 2.962 217 HE21 GLN 26 1HE2 GLN 26 -7.549 3.862 0.935 218 HE22 GLN 26 2HE2 GLN 26 -8.835 4.674 1.753 219 H ALA 27 H ALA 27 -2.353 6.978 1.511 220 HA ALA 27 HA ALA 27 -0.880 8.054 3.639 221 HB1 ALA 27 3HB ALA 27 0.138 6.821 1.764 222 HB2 ALA 27 1HB ALA 27 0.917 8.391 1.987 223 HB3 ALA 27 2HB ALA 27 -0.236 8.154 0.669 224 H ARG 28 H ARG 28 -2.700 9.680 1.090 225 HA ARG 28 HA ARG 28 -1.552 12.296 1.520 226 HB2 ARG 28 2HB ARG 28 -4.012 11.458 -0.064 227 HB3 ARG 28 3HB ARG 28 -3.322 13.081 -0.060 228 HG2 ARG 28 2HG ARG 28 -1.200 12.110 -1.014 229 HG3 ARG 28 3HG ARG 28 -2.017 10.554 -1.127 230 HD2 ARG 28 2HD ARG 28 -2.718 13.110 -2.599 231 HD3 ARG 28 3HD ARG 28 -2.112 11.603 -3.292 232 HE ARG 28 HE ARG 28 -4.597 11.220 -1.917 233 HH11 ARG 28 1HH1 ARG 28 -3.289 12.374 -4.983 234 HH12 ARG 28 2HH1 ARG 28 -4.757 12.066 -5.852 235 HH21 ARG 28 1HH2 ARG 28 -6.523 10.914 -3.047 236 HH22 ARG 28 2HH2 ARG 28 -6.593 11.237 -4.749 237 H LYS 29 H LYS 29 -4.698 10.708 2.362 238 HA LYS 29 HA LYS 29 -5.787 12.992 3.704 239 HB2 LYS 29 2HB LYS 29 -7.516 11.502 4.607 240 HB3 LYS 29 3HB LYS 29 -7.254 11.161 2.901 241 HG2 LYS 29 2HG LYS 29 -5.881 9.198 3.519 242 HG3 LYS 29 3HG LYS 29 -6.186 9.519 5.225 243 HD2 LYS 29 2HD LYS 29 -8.461 9.032 3.275 244 HD3 LYS 29 3HD LYS 29 -7.584 7.690 3.999 245 HE2 LYS 29 2HE LYS 29 -9.604 8.076 5.270 246 HE3 LYS 29 3HE LYS 29 -8.223 8.536 6.263 247 HZ1 LYS 29 3HZ LYS 29 -9.946 10.428 4.756 248 HZ2 LYS 29 1HZ LYS 29 -8.675 10.839 5.790 249 HZ3 LYS 29 2HZ LYS 29 -10.064 10.106 6.408 250 H PHE 30 H PHE 30 -3.644 10.412 4.718 251 HA PHE 30 HA PHE 30 -3.661 11.167 7.529 252 HB2 PHE 30 2HB PHE 30 -1.984 9.138 5.995 253 HB3 PHE 30 3HB PHE 30 -1.860 9.400 7.732 254 HD1 PHE 30 HD1 PHE 30 -4.713 9.632 8.524 255 HD2 PHE 30 HD2 PHE 30 -2.841 6.933 5.796 256 HE1 PHE 30 HE1 PHE 30 -6.478 7.978 8.933 257 HE2 PHE 30 HE2 PHE 30 -4.615 5.287 6.204 258 HZ PHE 30 HZ PHE 30 -6.439 5.805 7.774 259 H ALA 31 H ALA 31 -2.458 12.694 4.945 260 HA ALA 31 HA ALA 31 -1.237 14.566 4.762 261 HB1 ALA 31 3HB ALA 31 -2.113 15.143 6.993 262 HB2 ALA 31 1HB ALA 31 -0.481 15.779 6.765 263 HB3 ALA 31 2HB ALA 31 -0.741 14.334 7.748 264 H GLY 32 H GLY 32 0.038 11.731 4.863 265 HA2 GLY 32 2HA GLY 32 2.891 12.376 5.248 266 HA3 GLY 32 3HA GLY 32 2.185 10.785 5.000 267 H THR 33 H THR 33 4.257 11.002 3.571 268 HA THR 33 HA THR 33 3.620 11.990 0.854 269 HB THR 33 HB THR 33 6.286 11.388 2.220 270 HG1 THR 33 HG1 THR 33 4.997 13.450 2.520 271 HG21 THR 33 3HG2 THR 33 7.415 12.153 0.164 272 HG22 THR 33 1HG2 THR 33 5.855 12.324 -0.647 273 HG23 THR 33 2HG2 THR 33 6.433 10.724 -0.174 274 H VAL 34 H VAL 34 3.881 10.509 -0.906 275 HA VAL 34 HA VAL 34 4.393 7.676 -0.285 276 HB VAL 34 HB VAL 34 1.955 7.962 -0.287 277 HG11 VAL 34 1HG1 VAL 34 2.187 9.104 -3.094 278 HG12 VAL 34 2HG1 VAL 34 1.752 10.002 -1.638 279 HG13 VAL 34 3HG1 VAL 34 0.681 8.738 -2.244 280 HG21 VAL 34 3HG2 VAL 34 2.808 5.851 -1.187 281 HG22 VAL 34 1HG2 VAL 34 2.868 6.541 -2.813 282 HG23 VAL 34 2HG2 VAL 34 1.314 6.312 -2.004 283 H THR 35 H THR 35 5.651 6.676 -1.768 284 HA THR 35 HA THR 35 6.007 7.709 -4.500 285 HB THR 35 HB THR 35 8.325 7.053 -2.603 286 HG1 THR 35 HG1 THR 35 7.083 9.417 -3.363 287 HG21 THR 35 3HG2 THR 35 8.871 6.354 -4.906 288 HG22 THR 35 1HG2 THR 35 9.813 7.780 -4.455 289 HG23 THR 35 2HG2 THR 35 8.410 7.947 -5.512 290 H TYR 36 H TYR 36 6.161 5.994 -5.963 291 HA TYR 36 HA TYR 36 6.151 3.236 -4.857 292 HB2 TYR 36 2HB TYR 36 4.150 2.709 -6.234 293 HB3 TYR 36 3HB TYR 36 3.814 3.951 -5.036 294 HD1 TYR 36 HD2 TYR 36 3.444 6.322 -5.743 295 HD2 TYR 36 HD1 TYR 36 4.049 3.236 -8.653 296 HE1 TYR 36 HE2 TYR 36 2.599 7.810 -7.505 297 HE2 TYR 36 HE1 TYR 36 3.207 4.732 -10.408 298 HH TYR 36 HH TYR 36 1.817 6.705 -10.647 299 H THR 37 H THR 37 6.600 1.589 -6.341 300 HA THR 37 HA THR 37 7.717 2.361 -8.977 301 HB THR 37 HB THR 37 8.725 0.127 -7.158 302 HG1 THR 37 HG1 THR 37 9.566 1.837 -6.185 303 HG21 THR 37 3HG2 THR 37 9.893 1.258 -9.732 304 HG22 THR 37 1HG2 THR 37 9.116 -0.321 -9.568 305 HG23 THR 37 2HG2 THR 37 10.636 0.010 -8.730 306 H LEU 38 H LEU 38 5.999 1.757 -10.279 307 HA LEU 38 HA LEU 38 4.798 -0.908 -10.137 308 HB2 LEU 38 2HB LEU 38 4.472 1.428 -12.063 309 HB3 LEU 38 3HB LEU 38 3.692 -0.123 -12.339 310 HG LEU 38 HG LEU 38 3.191 1.663 -9.921 311 HD11 LEU 38 1HD1 LEU 38 2.313 2.710 -11.935 312 HD12 LEU 38 2HD1 LEU 38 0.996 2.125 -10.923 313 HD13 LEU 38 3HD1 LEU 38 1.459 1.228 -12.371 314 HD21 LEU 38 3HD2 LEU 38 1.789 -0.888 -10.797 315 HD22 LEU 38 1HD2 LEU 38 1.309 0.153 -9.449 316 HD23 LEU 38 2HD2 LEU 38 2.850 -0.699 -9.394 317 H ASP 39 H ASP 39 5.997 -2.584 -10.881 318 HA ASP 39 HA ASP 39 7.402 -2.381 -13.457 319 HB2 ASP 39 2HB ASP 39 9.062 -1.877 -11.585 320 HB3 ASP 39 3HB ASP 39 8.793 -3.506 -10.975 321 H GLY 40 H GLY 40 5.905 -3.700 -14.383 322 HA2 GLY 40 2HA GLY 40 5.106 -5.668 -15.216 323 HA3 GLY 40 3HA GLY 40 6.255 -6.518 -14.191 324 H ASN 41 H ASN 41 5.399 -7.747 -12.658 325 HA ASN 41 HA ASN 41 2.644 -7.241 -11.663 326 HB2 ASN 41 2HB ASN 41 4.192 -9.849 -11.991 327 HB3 ASN 41 3HB ASN 41 2.683 -9.733 -11.099 328 HD21 ASN 41 1HD2 ASN 41 0.760 -9.190 -12.244 329 HD22 ASN 41 2HD2 ASN 41 0.623 -9.513 -13.939 330 H ASP 42 H ASP 42 5.270 -6.126 -10.715 331 HA ASP 42 HA ASP 42 4.841 -6.720 -7.850 332 HB2 ASP 42 2HB ASP 42 6.950 -7.815 -8.526 333 HB3 ASP 42 3HB ASP 42 7.542 -6.303 -9.213 334 H LEU 43 H LEU 43 4.807 -4.986 -6.558 335 HA LEU 43 HA LEU 43 5.404 -2.265 -7.526 336 HB2 LEU 43 2HB LEU 43 3.061 -2.405 -7.959 337 HB3 LEU 43 3HB LEU 43 2.765 -3.363 -6.521 338 HG LEU 43 HG LEU 43 3.165 -1.325 -5.102 339 HD11 LEU 43 1HD1 LEU 43 3.307 0.192 -7.717 340 HD12 LEU 43 2HD1 LEU 43 4.612 -0.027 -6.551 341 HD13 LEU 43 3HD1 LEU 43 3.188 0.911 -6.107 342 HD21 LEU 43 3HD2 LEU 43 0.901 -2.007 -5.718 343 HD22 LEU 43 1HD2 LEU 43 0.976 -1.001 -7.168 344 HD23 LEU 43 2HD2 LEU 43 1.026 -0.256 -5.566 345 H GLU 44 H GLU 44 6.735 -1.343 -6.002 346 HA GLU 44 HA GLU 44 6.178 -1.953 -3.147 347 HB2 GLU 44 2HB GLU 44 8.457 -2.655 -3.795 348 HB3 GLU 44 3HB GLU 44 8.830 -1.003 -4.290 349 HG2 GLU 44 2HG GLU 44 8.543 -0.205 -1.985 350 HG3 GLU 44 3HG GLU 44 8.025 -1.809 -1.467 351 H ILE 45 H ILE 45 5.054 -0.452 -2.280 352 HA ILE 45 HA ILE 45 5.201 2.398 -2.977 353 HB ILE 45 HB ILE 45 3.413 0.933 -0.967 354 HG12 ILE 45 2HG1 ILE 45 2.741 1.819 -3.811 355 HG13 ILE 45 3HG1 ILE 45 3.068 0.162 -3.322 356 HG21 ILE 45 1HG2 ILE 45 3.604 3.327 -0.439 357 HG22 ILE 45 2HG2 ILE 45 1.981 2.946 -1.013 358 HG23 ILE 45 3HG2 ILE 45 3.132 3.743 -2.088 359 HD11 ILE 45 3HD1 ILE 45 0.733 1.857 -2.442 360 HD12 ILE 45 1HD1 ILE 45 1.078 0.218 -1.877 361 HD13 ILE 45 2HD1 ILE 45 0.713 0.506 -3.576 362 H ARG 46 H ARG 46 6.004 3.926 -1.537 363 HA ARG 46 HA ARG 46 7.084 3.096 1.091 364 HB2 ARG 46 2HB ARG 46 8.265 5.131 -0.860 365 HB3 ARG 46 3HB ARG 46 8.843 4.850 0.781 366 HG2 ARG 46 2HG ARG 46 9.318 2.444 0.063 367 HG3 ARG 46 3HG ARG 46 9.022 2.971 -1.600 368 HD2 ARG 46 2HD ARG 46 11.443 2.985 -1.019 369 HD3 ARG 46 3HD ARG 46 10.851 4.598 -1.429 370 HE ARG 46 HE ARG 46 10.598 4.415 1.306 371 HH11 ARG 46 1HH1 ARG 46 13.332 4.172 -0.897 372 HH12 ARG 46 2HH1 ARG 46 14.463 4.768 0.271 373 HH21 ARG 46 1HH2 ARG 46 12.075 5.209 2.789 374 HH22 ARG 46 2HH2 ARG 46 13.749 5.357 2.357 375 H ILE 47 H ILE 47 5.956 4.076 2.662 376 HA ILE 47 HA ILE 47 4.779 6.761 2.179 377 HB ILE 47 HB ILE 47 3.762 4.639 4.129 378 HG12 ILE 47 2HG1 ILE 47 2.685 5.553 1.414 379 HG13 ILE 47 3HG1 ILE 47 3.362 3.973 1.782 380 HG21 ILE 47 1HG2 ILE 47 2.582 7.346 3.369 381 HG22 ILE 47 2HG2 ILE 47 3.328 6.946 4.918 382 HG23 ILE 47 3HG2 ILE 47 1.822 6.160 4.439 383 HD11 ILE 47 3HD1 ILE 47 0.976 3.839 1.611 384 HD12 ILE 47 1HD1 ILE 47 0.766 5.097 2.829 385 HD13 ILE 47 2HD1 ILE 47 1.456 3.536 3.278 386 H THR 48 H THR 48 5.472 8.360 3.374 387 HA THR 48 HA THR 48 7.317 7.919 5.656 388 HB THR 48 HB THR 48 7.542 9.997 3.416 389 HG1 THR 48 HG1 THR 48 8.787 7.469 3.789 390 HG21 THR 48 3HG2 THR 48 9.548 9.271 5.587 391 HG22 THR 48 1HG2 THR 48 8.599 10.761 5.525 392 HG23 THR 48 2HG2 THR 48 9.807 10.432 4.282 393 H GLY 49 H GLY 49 7.370 9.697 7.222 394 HA2 GLY 49 2HA GLY 49 6.800 11.731 8.171 395 HA3 GLY 49 3HA GLY 49 5.640 12.019 6.889 396 H VAL 50 H VAL 50 4.392 9.329 7.438 397 HA VAL 50 HA VAL 50 2.483 10.129 9.408 398 HB VAL 50 HB VAL 50 1.445 7.875 9.012 399 HG11 VAL 50 1HG1 VAL 50 0.819 8.244 6.644 400 HG12 VAL 50 2HG1 VAL 50 2.166 9.372 6.459 401 HG13 VAL 50 3HG1 VAL 50 0.833 9.758 7.551 402 HG21 VAL 50 3HG2 VAL 50 2.359 6.355 7.284 403 HG22 VAL 50 1HG2 VAL 50 3.498 6.546 8.620 404 HG23 VAL 50 2HG2 VAL 50 3.774 7.399 7.100 405 HA PRO 51 HA PRO 51 4.608 8.475 13.069 406 HB2 PRO 51 2HB PRO 51 1.936 8.304 14.385 407 HB3 PRO 51 3HB PRO 51 3.329 9.317 14.808 408 HG2 PRO 51 2HG PRO 51 1.081 10.350 13.735 409 HG3 PRO 51 3HG PRO 51 2.691 11.032 13.433 410 HD2 PRO 51 2HD PRO 51 1.018 9.301 11.626 411 HD3 PRO 51 3HD PRO 51 2.046 10.695 11.226 412 H GLU 52 H GLU 52 4.419 6.623 14.611 413 HA GLU 52 HA GLU 52 4.343 4.140 13.371 414 HB2 GLU 52 2HB GLU 52 5.470 4.581 15.545 415 HB3 GLU 52 3HB GLU 52 3.900 4.728 16.328 416 HG2 GLU 52 2HG GLU 52 3.487 2.292 15.513 417 HG3 GLU 52 3HG GLU 52 5.221 2.241 15.216 418 H GLN 53 H GLN 53 1.826 5.647 15.414 419 HA GLN 53 HA GLN 53 -0.020 3.540 15.478 420 HB2 GLN 53 2HB GLN 53 -1.694 5.253 16.129 421 HB3 GLN 53 3HB GLN 53 -0.188 5.423 17.022 422 HG2 GLN 53 2HG GLN 53 0.441 7.379 15.821 423 HG3 GLN 53 3HG GLN 53 -0.761 7.109 14.565 424 HE21 GLN 53 1HE2 GLN 53 -2.950 7.570 15.016 425 HE22 GLN 53 2HE2 GLN 53 -3.397 8.630 16.306 426 H VAL 54 H VAL 54 0.417 6.131 13.105 427 HA VAL 54 HA VAL 54 -1.947 5.477 11.587 428 HB VAL 54 HB VAL 54 0.390 7.329 10.939 429 HG11 VAL 54 1HG1 VAL 54 -1.096 8.322 9.216 430 HG12 VAL 54 2HG1 VAL 54 -2.297 7.070 9.543 431 HG13 VAL 54 3HG1 VAL 54 -0.726 6.633 8.867 432 HG21 VAL 54 3HG2 VAL 54 -1.171 9.161 11.562 433 HG22 VAL 54 1HG2 VAL 54 -0.891 8.066 12.922 434 HG23 VAL 54 2HG2 VAL 54 -2.396 7.967 12.002 435 H ARG 55 H ARG 55 1.518 4.693 11.427 436 HA ARG 55 HA ARG 55 1.586 3.426 8.901 437 HB2 ARG 55 2HB ARG 55 3.235 2.829 11.396 438 HB3 ARG 55 3HB ARG 55 3.570 2.153 9.801 439 HG2 ARG 55 2HG ARG 55 3.896 4.481 8.941 440 HG3 ARG 55 3HG ARG 55 3.700 5.080 10.590 441 HD2 ARG 55 2HD ARG 55 5.668 3.684 11.276 442 HD3 ARG 55 3HD ARG 55 5.885 3.211 9.589 443 HE ARG 55 HE ARG 55 6.744 5.613 10.827 444 HH11 ARG 55 1HH1 ARG 55 5.517 4.487 7.715 445 HH12 ARG 55 2HH1 ARG 55 6.288 5.758 6.828 446 HH21 ARG 55 1HH2 ARG 55 7.755 7.222 9.655 447 HH22 ARG 55 2HH2 ARG 55 7.561 7.309 7.938 448 H LYS 56 H LYS 56 0.686 2.242 12.135 449 HA LYS 56 HA LYS 56 0.190 -0.453 11.552 450 HB2 LYS 56 2HB LYS 56 -1.354 1.329 13.480 451 HB3 LYS 56 3HB LYS 56 -1.349 -0.433 13.491 452 HG2 LYS 56 2HG LYS 56 1.015 1.378 14.077 453 HG3 LYS 56 3HG LYS 56 0.069 0.473 15.262 454 HD2 LYS 56 2HD LYS 56 0.827 -1.658 14.205 455 HD3 LYS 56 3HD LYS 56 1.812 -0.729 13.066 456 HE2 LYS 56 2HE LYS 56 3.166 -1.608 14.944 457 HE3 LYS 56 3HE LYS 56 3.157 0.156 14.931 458 HZ1 LYS 56 3HZ LYS 56 2.855 -0.807 17.156 459 HZ2 LYS 56 1HZ LYS 56 1.412 -1.527 16.652 460 HZ3 LYS 56 2HZ LYS 56 1.547 0.155 16.698 461 H GLU 57 H GLU 57 -1.908 2.414 11.247 462 HA GLU 57 HA GLU 57 -4.268 1.138 10.366 463 HB2 GLU 57 2HB GLU 57 -3.276 3.973 9.835 464 HB3 GLU 57 3HB GLU 57 -4.926 3.421 9.538 465 HG2 GLU 57 2HG GLU 57 -5.301 3.051 11.900 466 HG3 GLU 57 3HG GLU 57 -3.601 3.352 12.272 467 H LEU 58 H LEU 58 -1.466 2.419 8.558 468 HA LEU 58 HA LEU 58 -2.460 1.854 5.953 469 HB2 LEU 58 2HB LEU 58 0.285 2.473 7.041 470 HB3 LEU 58 3HB LEU 58 0.154 1.851 5.413 471 HG LEU 58 HG LEU 58 0.312 4.196 5.175 472 HD11 LEU 58 1HD1 LEU 58 -2.627 3.527 4.891 473 HD12 LEU 58 2HD1 LEU 58 -1.352 3.231 3.705 474 HD13 LEU 58 3HD1 LEU 58 -1.781 4.882 4.133 475 HD21 LEU 58 3HD2 LEU 58 -1.079 5.851 6.311 476 HD22 LEU 58 1HD2 LEU 58 -0.142 4.890 7.456 477 HD23 LEU 58 2HD2 LEU 58 -1.864 4.569 7.241 478 H ALA 59 H ALA 59 -0.804 -0.158 8.356 479 HA ALA 59 HA ALA 59 -0.248 -2.374 6.664 480 HB1 ALA 59 3HB ALA 59 -0.002 -3.660 8.745 481 HB2 ALA 59 1HB ALA 59 -0.757 -2.352 9.659 482 HB3 ALA 59 2HB ALA 59 0.805 -2.095 8.878 483 H LYS 60 H LYS 60 -3.067 -1.513 8.688 484 HA LYS 60 HA LYS 60 -4.613 -3.829 8.120 485 HB2 LYS 60 2HB LYS 60 -5.322 -1.081 9.191 486 HB3 LYS 60 3HB LYS 60 -6.600 -2.207 8.772 487 HG2 LYS 60 2HG LYS 60 -6.201 -2.303 11.152 488 HG3 LYS 60 3HG LYS 60 -5.715 -3.834 10.425 489 HD2 LYS 60 2HD LYS 60 -3.374 -3.264 10.624 490 HD3 LYS 60 3HD LYS 60 -3.761 -1.608 11.085 491 HE2 LYS 60 2HE LYS 60 -3.041 -2.907 13.030 492 HE3 LYS 60 3HE LYS 60 -4.725 -2.412 13.204 493 HZ1 LYS 60 3HZ LYS 60 -3.896 -5.085 12.223 494 HZ2 LYS 60 1HZ LYS 60 -5.450 -4.591 12.658 495 HZ3 LYS 60 2HZ LYS 60 -4.253 -4.750 13.838 496 H GLU 61 H GLU 61 -4.209 -0.722 6.442 497 HA GLU 61 HA GLU 61 -6.249 -1.115 4.493 498 HB2 GLU 61 2HB GLU 61 -3.745 0.618 4.376 499 HB3 GLU 61 3HB GLU 61 -5.029 0.649 3.167 500 HG2 GLU 61 2HG GLU 61 -5.232 1.470 6.079 501 HG3 GLU 61 3HG GLU 61 -5.321 2.520 4.668 502 H ALA 62 H ALA 62 -2.774 -1.830 4.574 503 HA ALA 62 HA ALA 62 -2.360 -2.826 2.015 504 HB1 ALA 62 3HB ALA 62 -0.559 -2.359 3.625 505 HB2 ALA 62 1HB ALA 62 -0.429 -4.008 3.009 506 HB3 ALA 62 2HB ALA 62 -1.078 -3.720 4.621 507 H GLU 63 H GLU 63 -3.359 -4.577 4.951 508 HA GLU 63 HA GLU 63 -3.577 -7.162 3.862 509 HB2 GLU 63 2HB GLU 63 -4.916 -5.927 6.300 510 HB3 GLU 63 3HB GLU 63 -4.894 -7.657 5.945 511 HG2 GLU 63 2HG GLU 63 -2.478 -7.735 6.186 512 HG3 GLU 63 3HG GLU 63 -2.395 -5.983 6.368 513 H ARG 64 H ARG 64 -6.105 -4.635 4.362 514 HA ARG 64 HA ARG 64 -8.290 -6.324 3.641 515 HB2 ARG 64 2HB ARG 64 -9.699 -4.339 3.683 516 HB3 ARG 64 3HB ARG 64 -8.586 -4.284 5.046 517 HG2 ARG 64 2HG ARG 64 -7.176 -2.667 3.846 518 HG3 ARG 64 3HG ARG 64 -8.264 -2.723 2.460 519 HD2 ARG 64 2HD ARG 64 -9.086 -1.815 5.237 520 HD3 ARG 64 3HD ARG 64 -8.547 -0.727 3.958 521 HE ARG 64 HE ARG 64 -10.853 -2.479 3.442 522 HH11 ARG 64 1HH1 ARG 64 -9.649 0.795 4.022 523 HH12 ARG 64 2HH1 ARG 64 -11.121 1.551 3.492 524 HH21 ARG 64 1HH2 ARG 64 -12.766 -1.463 2.757 525 HH22 ARG 64 2HH2 ARG 64 -12.888 0.266 2.775 526 H LEU 65 H LEU 65 -6.156 -4.215 1.799 527 HA LEU 65 HA LEU 65 -7.666 -4.382 -0.665 528 HB2 LEU 65 2HB LEU 65 -4.841 -3.391 -0.140 529 HB3 LEU 65 3HB LEU 65 -5.715 -3.196 -1.654 530 HG LEU 65 HG LEU 65 -6.501 -1.950 1.013 531 HD11 LEU 65 1HD1 LEU 65 -5.839 0.173 0.032 532 HD12 LEU 65 2HD1 LEU 65 -5.299 -0.652 -1.435 533 HD13 LEU 65 3HD1 LEU 65 -4.484 -0.954 0.105 534 HD21 LEU 65 3HD2 LEU 65 -8.491 -2.400 -0.340 535 HD22 LEU 65 1HD2 LEU 65 -7.772 -1.560 -1.717 536 HD23 LEU 65 2HD2 LEU 65 -8.177 -0.670 -0.246 537 H ALA 66 H ALA 66 -4.981 -6.095 0.842 538 HA ALA 66 HA ALA 66 -3.984 -7.521 -1.364 539 HB1 ALA 66 3HB ALA 66 -3.052 -9.096 0.280 540 HB2 ALA 66 1HB ALA 66 -4.104 -8.430 1.535 541 HB3 ALA 66 2HB ALA 66 -2.839 -7.429 0.820 542 H LYS 67 H LYS 67 -6.490 -8.429 1.008 543 HA LYS 67 HA LYS 67 -7.134 -10.916 -0.256 544 HB2 LYS 67 2HB LYS 67 -8.965 -11.048 1.375 545 HB3 LYS 67 3HB LYS 67 -7.453 -10.592 2.152 546 HG2 LYS 67 2HG LYS 67 -8.203 -8.229 2.224 547 HG3 LYS 67 3HG LYS 67 -9.725 -8.690 1.456 548 HD2 LYS 67 2HD LYS 67 -8.735 -9.611 4.189 549 HD3 LYS 67 3HD LYS 67 -10.003 -8.421 3.888 550 HE2 LYS 67 2HE LYS 67 -11.400 -10.176 2.834 551 HE3 LYS 67 3HE LYS 67 -10.128 -11.367 3.125 552 HZ1 LYS 67 3HZ LYS 67 -10.370 -10.884 5.525 553 HZ2 LYS 67 1HZ LYS 67 -11.756 -11.559 4.831 554 HZ3 LYS 67 2HZ LYS 67 -11.704 -9.906 5.175 555 H GLU 68 H GLU 68 -8.355 -7.616 -0.520 556 HA GLU 68 HA GLU 68 -10.866 -8.178 -1.743 557 HB2 GLU 68 2HB GLU 68 -10.386 -6.062 -0.559 558 HB3 GLU 68 3HB GLU 68 -9.174 -5.639 -1.761 559 HG2 GLU 68 2HG GLU 68 -11.229 -4.374 -2.138 560 HG3 GLU 68 3HG GLU 68 -10.922 -5.468 -3.489 561 H PHE 69 H PHE 69 -7.725 -7.141 -3.069 562 HA PHE 69 HA PHE 69 -8.635 -7.433 -5.834 563 HB2 PHE 69 2HB PHE 69 -6.003 -6.448 -4.662 564 HB3 PHE 69 3HB PHE 69 -6.386 -6.461 -6.375 565 HD1 PHE 69 HD1 PHE 69 -8.529 -5.135 -7.116 566 HD2 PHE 69 HD2 PHE 69 -6.525 -4.499 -3.395 567 HE1 PHE 69 HE1 PHE 69 -9.559 -2.913 -6.915 568 HE2 PHE 69 HE2 PHE 69 -7.562 -2.290 -3.212 569 HZ PHE 69 HZ PHE 69 -9.081 -1.489 -4.968 570 H ASN 70 H ASN 70 -7.589 -9.575 -3.607 571 HA ASN 70 HA ASN 70 -6.740 -11.653 -3.555 572 HB2 ASN 70 2HB ASN 70 -8.530 -11.954 -5.327 573 HB3 ASN 70 3HB ASN 70 -7.279 -11.754 -6.549 574 HD21 ASN 70 1HD2 ASN 70 -7.657 -13.854 -7.377 575 HD22 ASN 70 2HD2 ASN 70 -7.166 -15.281 -6.535 576 H ILE 71 H ILE 71 -4.902 -9.624 -3.710 577 HA ILE 71 HA ILE 71 -2.562 -10.781 -5.119 578 HB ILE 71 HB ILE 71 -1.563 -8.474 -4.974 579 HG12 ILE 71 2HG1 ILE 71 -4.319 -7.691 -3.897 580 HG13 ILE 71 3HG1 ILE 71 -2.775 -7.533 -3.069 581 HG21 ILE 71 1HG2 ILE 71 -2.865 -7.463 -6.796 582 HG22 ILE 71 2HG2 ILE 71 -4.216 -8.546 -6.455 583 HG23 ILE 71 3HG2 ILE 71 -2.686 -9.200 -7.042 584 HD11 ILE 71 3HD1 ILE 71 -2.091 -5.837 -4.715 585 HD12 ILE 71 1HD1 ILE 71 -3.546 -5.389 -3.827 586 HD13 ILE 71 2HD1 ILE 71 -3.674 -5.968 -5.488 587 H THR 72 H THR 72 -0.507 -10.431 -3.908 588 HA THR 72 HA THR 72 -0.809 -10.932 -1.017 589 HB THR 72 HB THR 72 1.753 -11.450 -1.222 590 HG1 THR 72 HG1 THR 72 1.032 -11.499 -3.980 591 HG21 THR 72 3HG2 THR 72 1.343 -13.747 -2.048 592 HG22 THR 72 1HG2 THR 72 -0.236 -13.248 -2.654 593 HG23 THR 72 2HG2 THR 72 0.087 -13.235 -0.918 594 H VAL 73 H VAL 73 0.555 -9.793 0.499 595 HA VAL 73 HA VAL 73 1.849 -7.323 -0.407 596 HB VAL 73 HB VAL 73 -0.581 -6.797 0.223 597 HG11 VAL 73 1HG1 VAL 73 -1.194 -6.630 2.613 598 HG12 VAL 73 2HG1 VAL 73 0.343 -7.370 3.068 599 HG13 VAL 73 3HG1 VAL 73 -0.848 -8.302 2.157 600 HG21 VAL 73 3HG2 VAL 73 1.172 -5.059 0.139 601 HG22 VAL 73 1HG2 VAL 73 1.556 -5.357 1.838 602 HG23 VAL 73 2HG2 VAL 73 -0.025 -4.710 1.385 603 H THR 74 H THR 74 3.328 -6.489 1.033 604 HA THR 74 HA THR 74 3.786 -7.729 3.635 605 HB THR 74 HB THR 74 5.415 -8.906 2.258 606 HG1 THR 74 HG1 THR 74 6.940 -6.871 3.505 607 HG21 THR 74 3HG2 THR 74 6.418 -6.193 1.315 608 HG22 THR 74 1HG2 THR 74 5.551 -7.374 0.329 609 HG23 THR 74 2HG2 THR 74 7.159 -7.753 0.949 610 H TYR 75 H TYR 75 4.605 -6.242 5.120 611 HA TYR 75 HA TYR 75 5.069 -3.468 4.295 612 HB2 TYR 75 2HB TYR 75 3.469 -2.764 6.241 613 HB3 TYR 75 3HB TYR 75 2.758 -3.241 4.708 614 HD1 TYR 75 HD1 TYR 75 3.369 -4.391 8.224 615 HD2 TYR 75 HD2 TYR 75 1.293 -5.162 4.556 616 HE1 TYR 75 HE1 TYR 75 1.988 -6.086 9.354 617 HE2 TYR 75 HE2 TYR 75 -0.083 -6.846 5.690 618 HH TYR 75 HH TYR 75 -0.231 -7.173 9.052 619 H THR 76 H THR 76 6.471 -2.406 5.585 620 HA THR 76 HA THR 76 7.849 -3.972 7.701 621 HB THR 76 HB THR 76 8.846 -1.765 5.830 622 HG1 THR 76 HG1 THR 76 10.273 -3.727 5.286 623 HG21 THR 76 3HG2 THR 76 10.056 -1.580 7.966 624 HG22 THR 76 1HG2 THR 76 11.121 -2.222 6.712 625 HG23 THR 76 2HG2 THR 76 10.428 -3.304 7.922 626 H ILE 77 H ILE 77 7.413 -3.219 9.757 627 HA ILE 77 HA ILE 77 7.309 -0.330 10.309 628 HB ILE 77 HB ILE 77 5.199 -0.719 11.793 629 HG12 ILE 77 2HG1 ILE 77 4.878 -3.123 9.931 630 HG13 ILE 77 3HG1 ILE 77 5.093 -3.176 11.676 631 HG21 ILE 77 1HG2 ILE 77 3.635 -0.168 10.001 632 HG22 ILE 77 2HG2 ILE 77 4.806 -0.692 8.792 633 HG23 ILE 77 3HG2 ILE 77 5.154 0.710 9.806 634 HD11 ILE 77 3HD1 ILE 77 2.792 -3.592 11.069 635 HD12 ILE 77 1HD1 ILE 77 2.693 -2.046 10.223 636 HD13 ILE 77 2HD1 ILE 77 2.917 -2.087 11.976 637 H ARG 78 H ARG 78 7.860 0.204 12.368 638 HA ARG 78 HA ARG 78 8.665 -1.932 14.240 639 HB2 ARG 78 2HB ARG 78 9.304 1.052 14.207 640 HB3 ARG 78 3HB ARG 78 9.858 -0.071 15.446 641 HG2 ARG 78 2HG ARG 78 10.600 -0.213 12.495 642 HG3 ARG 78 3HG ARG 78 11.603 0.487 13.765 643 HD2 ARG 78 2HD ARG 78 12.471 -1.697 13.335 644 HD3 ARG 78 3HD ARG 78 11.615 -1.804 14.875 645 HE ARG 78 HE ARG 78 10.012 -2.548 12.590 646 HH11 ARG 78 1HH1 ARG 78 12.327 -3.833 14.916 647 HH12 ARG 78 2HH1 ARG 78 11.788 -5.470 14.711 648 HH21 ARG 78 1HH2 ARG 78 9.319 -4.674 12.362 649 HH22 ARG 78 2HH2 ARG 78 10.085 -5.947 13.265 650 H GLY 79 H GLY 79 7.946 -1.851 16.422 651 HA2 GLY 79 2HA GLY 79 5.705 -0.113 17.149 652 HA3 GLY 79 3HA GLY 79 5.351 -1.833 16.994 653 H SER 80 H SER 80 7.839 -2.812 18.015 654 HA SER 80 HA SER 80 7.272 -2.847 20.802 655 HB2 SER 80 2HB SER 80 8.310 -4.773 19.571 656 HB3 SER 80 3HB SER 80 9.788 -3.837 19.373 657 HG SER 80 HG SER 80 9.311 -3.744 21.924 658 H LEU 81 H LEU 81 10.227 -1.711 19.103 659 HA LEU 81 HA LEU 81 11.754 -0.122 19.470 660 HB2 LEU 81 2HB LEU 81 9.163 1.340 19.982 661 HB3 LEU 81 3HB LEU 81 10.695 2.198 19.943 662 HG LEU 81 HG LEU 81 9.638 0.555 17.595 663 HD11 LEU 81 1HD1 LEU 81 9.462 3.551 18.002 664 HD12 LEU 81 2HD1 LEU 81 8.110 2.421 18.060 665 HD13 LEU 81 3HD1 LEU 81 8.987 2.664 16.550 666 HD21 LEU 81 3HD2 LEU 81 11.316 1.788 16.288 667 HD22 LEU 81 1HD2 LEU 81 12.076 0.866 17.583 668 HD23 LEU 81 2HD2 LEU 81 11.869 2.612 17.750 669 H GLU 82 H GLU 82 9.621 0.976 22.091 670 HA GLU 82 HA GLU 82 12.029 1.372 23.767 671 HB2 GLU 82 2HB GLU 82 9.312 2.758 23.944 672 HB3 GLU 82 3HB GLU 82 10.770 3.186 24.838 673 HG2 GLU 82 2HG GLU 82 10.322 3.444 21.845 674 HG3 GLU 82 3HG GLU 82 10.422 4.760 23.012 675 H HIS 83 H HIS 83 9.178 -0.514 23.604 676 HA HIS 83 HA HIS 83 9.551 -1.353 26.433 677 HB2 HIS 83 2HB HIS 83 7.218 -2.123 26.453 678 HB3 HIS 83 3HB HIS 83 7.302 -0.412 26.090 679 HD1 HIS 83 HD1 HIS 83 6.802 0.236 23.518 680 HD2 HIS 83 HD2 HIS 83 5.802 -3.630 24.645 681 HE1 HIS 83 HE1 HIS 83 5.217 -0.594 21.766 682 HE2 HIS 83 HE2 HIS 83 4.768 -2.992 22.385 683 H HIS 84 H HIS 84 11.309 -2.628 25.802 684 HA HIS 84 HA HIS 84 10.506 -5.364 25.493 685 HB2 HIS 84 2HB HIS 84 10.833 -4.660 23.062 686 HB3 HIS 84 3HB HIS 84 12.522 -4.316 23.432 687 HD1 HIS 84 HD1 HIS 84 10.066 -7.162 23.160 688 HD2 HIS 84 HD2 HIS 84 14.177 -6.594 23.427 689 HE1 HIS 84 HE1 HIS 84 11.089 -9.407 22.731 690 HE2 HIS 84 HE2 HIS 84 13.567 -9.029 22.835 691 H HIS 85 H HIS 85 11.193 -4.828 27.672 692 HA HIS 85 HA HIS 85 13.886 -5.765 28.151 693 HB2 HIS 85 2HB HIS 85 14.550 -3.936 29.668 694 HB3 HIS 85 3HB HIS 85 14.262 -3.309 28.060 695 HD1 HIS 85 HD1 HIS 85 13.645 -2.489 31.453 696 HD2 HIS 85 HD2 HIS 85 11.427 -2.116 27.964 697 HE1 HIS 85 HE1 HIS 85 11.880 -0.790 31.961 698 HE2 HIS 85 HE2 HIS 85 10.727 -0.409 29.762 699 H HIS 86 H HIS 86 12.444 -7.535 28.679 700 HA HIS 86 HA HIS 86 10.454 -7.374 30.701 701 HB2 HIS 86 2HB HIS 86 10.643 -9.151 28.851 702 HB3 HIS 86 3HB HIS 86 11.873 -9.929 29.838 703 HD1 HIS 86 HD1 HIS 86 8.230 -9.586 29.423 704 HD2 HIS 86 HD2 HIS 86 10.815 -11.021 32.334 705 HE1 HIS 86 HE1 HIS 86 6.803 -10.913 30.998 706 HE2 HIS 86 HE2 HIS 86 8.414 -11.875 32.673 707 H HIS 87 H HIS 87 13.888 -7.981 30.777 708 HA HIS 87 HA HIS 87 14.297 -8.976 33.361 709 HB2 HIS 87 2HB HIS 87 16.121 -8.869 31.741 710 HB3 HIS 87 3HB HIS 87 16.004 -7.117 31.644 711 HD1 HIS 87 HD1 HIS 87 16.828 -9.756 34.283 712 HD2 HIS 87 HD2 HIS 87 17.826 -5.854 33.240 713 HE1 HIS 87 HE1 HIS 87 18.613 -9.048 35.903 714 HE2 HIS 87 HE2 HIS 87 19.218 -6.702 35.236 715 H HIS 88 H HIS 88 14.440 -8.048 35.392 716 HA HIS 88 HA HIS 88 13.538 -5.270 35.764 717 HB2 HIS 88 2HB HIS 88 14.090 -7.487 37.796 718 HB3 HIS 88 3HB HIS 88 13.491 -5.881 38.205 719 HD1 HIS 88 HD1 HIS 88 12.092 -8.882 38.407 720 HD2 HIS 88 HD2 HIS 88 11.080 -5.683 35.963 721 HE1 HIS 88 HE1 HIS 88 9.690 -9.235 37.795 722 HE2 HIS 88 HE2 HIS 88 9.051 -7.160 36.529 Start of MODEL 18 1 H1 MET 1 1H MET 1 15.008 8.675 11.023 2 H2 MET 1 2H MET 1 14.617 9.359 9.532 3 H3 MET 1 3H MET 1 16.003 8.407 9.682 4 HA MET 1 HA MET 1 14.262 7.233 8.558 5 HB2 MET 1 2HB MET 1 14.230 5.184 9.999 6 HB3 MET 1 3HB MET 1 15.831 5.876 9.813 7 HG2 MET 1 2HG MET 1 14.064 6.102 12.259 8 HG3 MET 1 3HG MET 1 15.485 5.075 12.087 9 HE1 MET 1 3HE MET 1 18.370 7.784 11.957 10 HE2 MET 1 1HE MET 1 17.544 7.067 10.577 11 HE3 MET 1 2HE MET 1 18.010 6.056 11.946 12 H GLY 2 H GLY 2 12.188 7.551 8.146 13 HA2 GLY 2 2HA GLY 2 10.104 7.305 10.148 14 HA3 GLY 2 3HA GLY 2 10.299 8.933 9.497 15 H GLU 3 H GLU 3 10.290 5.607 8.230 16 HA GLU 3 HA GLU 3 8.245 6.261 6.228 17 HB2 GLU 3 2HB GLU 3 10.436 6.845 5.197 18 HB3 GLU 3 3HB GLU 3 11.041 5.226 5.527 19 HG2 GLU 3 2HG GLU 3 9.338 4.296 3.973 20 HG3 GLU 3 3HG GLU 3 8.775 5.931 3.622 21 H MET 4 H MET 4 7.116 4.501 5.541 22 HA MET 4 HA MET 4 7.658 1.804 6.667 23 HB2 MET 4 2HB MET 4 5.574 2.755 7.593 24 HB3 MET 4 3HB MET 4 5.009 3.186 5.983 25 HG2 MET 4 2HG MET 4 4.823 0.797 5.408 26 HG3 MET 4 3HG MET 4 5.400 0.363 7.019 27 HE1 MET 4 3HE MET 4 1.683 -0.696 7.313 28 HE2 MET 4 1HE MET 4 3.360 -1.158 7.595 29 HE3 MET 4 2HE MET 4 2.774 -0.922 5.945 30 H ASP 5 H ASP 5 7.513 0.014 5.129 31 HA ASP 5 HA ASP 5 7.235 0.758 2.291 32 HB2 ASP 5 2HB ASP 5 8.583 -1.682 3.562 33 HB3 ASP 5 3HB ASP 5 8.488 -1.351 1.837 34 H ILE 6 H ILE 6 5.463 -0.056 1.314 35 HA ILE 6 HA ILE 6 4.173 -2.540 2.267 36 HB ILE 6 HB ILE 6 2.701 -0.142 1.032 37 HG12 ILE 6 2HG1 ILE 6 2.591 -1.045 3.945 38 HG13 ILE 6 3HG1 ILE 6 3.477 0.361 3.370 39 HG21 ILE 6 1HG2 ILE 6 1.666 -2.314 0.508 40 HG22 ILE 6 2HG2 ILE 6 0.639 -1.387 1.601 41 HG23 ILE 6 3HG2 ILE 6 1.610 -2.722 2.225 42 HD11 ILE 6 3HD1 ILE 6 1.421 1.061 4.331 43 HD12 ILE 6 1HD1 ILE 6 0.490 -0.032 3.309 44 HD13 ILE 6 2HD1 ILE 6 1.344 1.340 2.595 45 H ARG 7 H ARG 7 4.819 -3.935 0.677 46 HA ARG 7 HA ARG 7 4.704 -3.065 -2.149 47 HB2 ARG 7 2HB ARG 7 6.932 -3.921 -1.334 48 HB3 ARG 7 3HB ARG 7 6.189 -5.493 -1.036 49 HG2 ARG 7 2HG ARG 7 5.586 -5.607 -3.484 50 HG3 ARG 7 3HG ARG 7 6.459 -4.093 -3.728 51 HD2 ARG 7 2HD ARG 7 7.659 -6.689 -2.730 52 HD3 ARG 7 3HD ARG 7 7.802 -6.060 -4.369 53 HE ARG 7 HE ARG 7 8.961 -4.075 -3.222 54 HH11 ARG 7 1HH1 ARG 7 9.194 -7.391 -2.034 55 HH12 ARG 7 2HH1 ARG 7 10.759 -7.144 -1.321 56 HH21 ARG 7 1HH2 ARG 7 11.025 -3.787 -2.286 57 HH22 ARG 7 2HH2 ARG 7 11.791 -5.112 -1.466 58 H PHE 8 H PHE 8 3.311 -4.020 -3.484 59 HA PHE 8 HA PHE 8 1.670 -6.329 -2.604 60 HB2 PHE 8 2HB PHE 8 1.059 -4.062 -4.564 61 HB3 PHE 8 3HB PHE 8 0.079 -5.517 -4.449 62 HD1 PHE 8 HD1 PHE 8 0.974 -2.347 -2.784 63 HD2 PHE 8 HD2 PHE 8 -1.399 -5.904 -2.534 64 HE1 PHE 8 HE1 PHE 8 -0.398 -1.325 -1.023 65 HE2 PHE 8 HE2 PHE 8 -2.767 -4.865 -0.774 66 HZ PHE 8 HZ PHE 8 -2.268 -2.572 -0.018 67 H ARG 9 H ARG 9 1.508 -8.035 -4.069 68 HA ARG 9 HA ARG 9 3.048 -7.983 -6.574 69 HB2 ARG 9 2HB ARG 9 4.293 -9.108 -4.492 70 HB3 ARG 9 3HB ARG 9 3.173 -10.429 -4.739 71 HG2 ARG 9 2HG ARG 9 5.273 -9.429 -6.701 72 HG3 ARG 9 3HG ARG 9 5.308 -10.938 -5.798 73 HD2 ARG 9 2HD ARG 9 3.307 -11.710 -7.079 74 HD3 ARG 9 3HD ARG 9 3.353 -10.218 -8.014 75 HE ARG 9 HE ARG 9 4.779 -12.563 -8.539 76 HH11 ARG 9 1HH1 ARG 9 5.473 -9.091 -8.518 77 HH12 ARG 9 2HH1 ARG 9 6.718 -9.242 -9.710 78 HH21 ARG 9 1HH2 ARG 9 6.326 -12.678 -10.123 79 HH22 ARG 9 2HH2 ARG 9 7.197 -11.264 -10.617 80 H GLY 10 H GLY 10 1.728 -8.681 -8.145 81 HA2 GLY 10 2HA GLY 10 -0.128 -10.869 -7.814 82 HA3 GLY 10 3HA GLY 10 -0.920 -9.307 -8.038 83 H ASP 11 H ASP 11 -0.400 -11.879 -9.697 84 HA ASP 11 HA ASP 11 1.129 -11.194 -11.979 85 HB2 ASP 11 2HB ASP 11 0.451 -13.534 -11.293 86 HB3 ASP 11 3HB ASP 11 -1.175 -13.190 -11.873 87 H ASP 12 H ASP 12 -2.007 -10.261 -10.983 88 HA ASP 12 HA ASP 12 -2.692 -9.083 -13.596 89 HB2 ASP 12 2HB ASP 12 -4.477 -10.395 -12.353 90 HB3 ASP 12 3HB ASP 12 -4.376 -9.229 -11.040 91 H LEU 13 H LEU 13 -1.399 -7.307 -13.757 92 HA LEU 13 HA LEU 13 -0.393 -5.720 -11.659 93 HB2 LEU 13 2HB LEU 13 0.668 -5.848 -13.883 94 HB3 LEU 13 3HB LEU 13 -0.714 -5.050 -14.609 95 HG LEU 13 HG LEU 13 -0.171 -2.964 -13.335 96 HD11 LEU 13 1HD1 LEU 13 2.293 -4.451 -12.379 97 HD12 LEU 13 2HD1 LEU 13 0.944 -3.885 -11.389 98 HD13 LEU 13 3HD1 LEU 13 1.992 -2.720 -12.191 99 HD21 LEU 13 3HD2 LEU 13 0.667 -3.211 -15.621 100 HD22 LEU 13 1HD2 LEU 13 2.139 -3.982 -15.019 101 HD23 LEU 13 2HD2 LEU 13 1.797 -2.292 -14.630 102 H GLU 14 H GLU 14 -3.440 -5.662 -13.270 103 HA GLU 14 HA GLU 14 -4.151 -2.926 -12.905 104 HB2 GLU 14 2HB GLU 14 -5.876 -5.388 -13.401 105 HB3 GLU 14 3HB GLU 14 -6.509 -3.745 -13.355 106 HG2 GLU 14 2HG GLU 14 -6.210 -4.490 -15.659 107 HG3 GLU 14 3HG GLU 14 -5.140 -3.137 -15.300 108 H ALA 15 H ALA 15 -4.771 -5.913 -11.076 109 HA ALA 15 HA ALA 15 -6.433 -4.897 -9.053 110 HB1 ALA 15 3HB ALA 15 -5.742 -6.936 -7.807 111 HB2 ALA 15 1HB ALA 15 -4.456 -7.208 -8.989 112 HB3 ALA 15 2HB ALA 15 -6.147 -7.294 -9.485 113 H LEU 16 H LEU 16 -2.936 -4.962 -9.424 114 HA LEU 16 HA LEU 16 -2.181 -3.997 -6.857 115 HB2 LEU 16 2HB LEU 16 -0.680 -3.719 -9.491 116 HB3 LEU 16 3HB LEU 16 0.014 -3.560 -7.882 117 HG LEU 16 HG LEU 16 -1.115 -6.121 -9.082 118 HD11 LEU 16 1HD1 LEU 16 0.985 -5.456 -10.124 119 HD12 LEU 16 2HD1 LEU 16 1.209 -6.890 -9.126 120 HD13 LEU 16 3HD1 LEU 16 1.756 -5.314 -8.541 121 HD21 LEU 16 3HD2 LEU 16 -1.449 -6.059 -6.655 122 HD22 LEU 16 1HD2 LEU 16 0.266 -5.708 -6.414 123 HD23 LEU 16 2HD2 LEU 16 -0.238 -7.252 -7.105 124 H GLU 17 H GLU 17 -3.084 -2.435 -9.904 125 HA GLU 17 HA GLU 17 -2.338 0.244 -9.200 126 HB2 GLU 17 2HB GLU 17 -4.268 -0.770 -11.338 127 HB3 GLU 17 3HB GLU 17 -3.746 0.908 -11.178 128 HG2 GLU 17 2HG GLU 17 -1.448 0.305 -11.676 129 HG3 GLU 17 3HG GLU 17 -1.857 -1.410 -11.691 130 H LYS 18 H LYS 18 -5.324 -1.642 -8.849 131 HA LYS 18 HA LYS 18 -6.987 0.514 -7.962 132 HB2 LYS 18 2HB LYS 18 -7.235 -2.506 -7.724 133 HB3 LYS 18 3HB LYS 18 -8.348 -1.452 -6.870 134 HG2 LYS 18 2HG LYS 18 -9.430 -2.159 -8.878 135 HG3 LYS 18 3HG LYS 18 -9.029 -0.451 -9.064 136 HD2 LYS 18 2HD LYS 18 -7.114 -1.029 -10.477 137 HD3 LYS 18 3HD LYS 18 -7.413 -2.749 -10.221 138 HE2 LYS 18 2HE LYS 18 -8.222 -2.063 -12.417 139 HE3 LYS 18 3HE LYS 18 -9.581 -2.539 -11.399 140 HZ1 LYS 18 3HZ LYS 18 -10.014 -0.514 -12.674 141 HZ2 LYS 18 1HZ LYS 18 -8.725 0.260 -11.898 142 HZ3 LYS 18 2HZ LYS 18 -10.077 -0.223 -11.009 143 H ALA 19 H ALA 19 -5.010 -1.954 -6.280 144 HA ALA 19 HA ALA 19 -5.393 -1.102 -3.620 145 HB1 ALA 19 3HB ALA 19 -4.358 -3.256 -4.200 146 HB2 ALA 19 1HB ALA 19 -3.316 -2.327 -3.121 147 HB3 ALA 19 2HB ALA 19 -2.945 -2.418 -4.847 148 H LEU 20 H LEU 20 -2.932 -0.210 -6.006 149 HA LEU 20 HA LEU 20 -1.289 1.563 -4.678 150 HB2 LEU 20 2HB LEU 20 -0.930 0.714 -6.967 151 HB3 LEU 20 3HB LEU 20 -2.280 1.631 -7.569 152 HG LEU 20 HG LEU 20 0.145 2.439 -8.077 153 HD11 LEU 20 1HD1 LEU 20 -0.466 4.787 -8.142 154 HD12 LEU 20 2HD1 LEU 20 -1.847 4.474 -7.089 155 HD13 LEU 20 3HD1 LEU 20 -1.788 3.759 -8.699 156 HD21 LEU 20 3HD2 LEU 20 1.018 2.304 -5.788 157 HD22 LEU 20 1HD2 LEU 20 -0.095 3.575 -5.280 158 HD23 LEU 20 2HD2 LEU 20 1.180 3.929 -6.450 159 H LYS 21 H LYS 21 -4.251 2.264 -6.465 160 HA LYS 21 HA LYS 21 -4.345 5.020 -6.268 161 HB2 LYS 21 2HB LYS 21 -5.734 3.698 -7.799 162 HB3 LYS 21 3HB LYS 21 -6.598 2.978 -6.448 163 HG2 LYS 21 2HG LYS 21 -7.619 5.159 -5.915 164 HG3 LYS 21 3HG LYS 21 -6.686 5.917 -7.209 165 HD2 LYS 21 2HD LYS 21 -9.033 5.468 -7.888 166 HD3 LYS 21 3HD LYS 21 -7.868 4.613 -8.902 167 HE2 LYS 21 2HE LYS 21 -9.789 3.180 -8.354 168 HE3 LYS 21 3HE LYS 21 -8.312 2.525 -7.649 169 HZ1 LYS 21 3HZ LYS 21 -10.149 2.429 -6.105 170 HZ2 LYS 21 1HZ LYS 21 -10.389 4.090 -6.223 171 HZ3 LYS 21 2HZ LYS 21 -8.976 3.493 -5.518 172 H GLU 22 H GLU 22 -5.501 2.510 -4.084 173 HA GLU 22 HA GLU 22 -6.851 4.284 -2.266 174 HB2 GLU 22 2HB GLU 22 -6.160 1.330 -2.078 175 HB3 GLU 22 3HB GLU 22 -7.137 2.198 -0.899 176 HG2 GLU 22 2HG GLU 22 -7.823 1.821 -3.822 177 HG3 GLU 22 3HG GLU 22 -8.523 0.925 -2.478 178 H MET 23 H MET 23 -3.682 2.554 -2.237 179 HA MET 23 HA MET 23 -2.940 3.225 0.397 180 HB2 MET 23 2HB MET 23 -1.217 2.661 -2.050 181 HB3 MET 23 3HB MET 23 -0.583 2.797 -0.417 182 HG2 MET 23 2HG MET 23 -2.750 0.790 -0.881 183 HG3 MET 23 3HG MET 23 -1.152 0.447 -1.521 184 HE1 MET 23 3HE MET 23 -2.448 2.105 1.899 185 HE2 MET 23 1HE MET 23 -2.172 0.740 2.980 186 HE3 MET 23 2HE MET 23 -3.378 0.619 1.697 187 H ILE 24 H ILE 24 -2.406 4.941 -2.683 188 HA ILE 24 HA ILE 24 -0.947 7.138 -1.630 189 HB ILE 24 HB ILE 24 -2.674 6.957 -4.155 190 HG12 ILE 24 2HG1 ILE 24 0.332 6.645 -3.691 191 HG13 ILE 24 3HG1 ILE 24 -0.783 5.432 -4.303 192 HG21 ILE 24 1HG2 ILE 24 -0.698 9.154 -3.430 193 HG22 ILE 24 2HG2 ILE 24 -2.451 9.321 -3.444 194 HG23 ILE 24 3HG2 ILE 24 -1.584 9.018 -4.949 195 HD11 ILE 24 3HD1 ILE 24 0.125 7.925 -5.737 196 HD12 ILE 24 1HD1 ILE 24 -1.074 6.781 -6.348 197 HD13 ILE 24 2HD1 ILE 24 0.588 6.260 -6.083 198 H ARG 25 H ARG 25 -4.396 6.617 -2.277 199 HA ARG 25 HA ARG 25 -5.554 9.000 -1.484 200 HB2 ARG 25 2HB ARG 25 -6.761 7.174 -2.604 201 HB3 ARG 25 3HB ARG 25 -6.553 6.137 -1.203 202 HG2 ARG 25 2HG ARG 25 -8.040 7.652 0.106 203 HG3 ARG 25 3HG ARG 25 -8.285 8.625 -1.347 204 HD2 ARG 25 2HD ARG 25 -9.256 6.646 -2.498 205 HD3 ARG 25 3HD ARG 25 -9.027 5.688 -1.029 206 HE ARG 25 HE ARG 25 -10.567 8.013 -0.480 207 HH11 ARG 25 1HH1 ARG 25 -10.870 4.841 -2.019 208 HH12 ARG 25 2HH1 ARG 25 -12.584 4.740 -1.731 209 HH21 ARG 25 1HH2 ARG 25 -12.791 7.859 -0.112 210 HH22 ARG 25 2HH2 ARG 25 -13.671 6.459 -0.644 211 H GLN 26 H GLN 26 -4.653 6.194 0.513 212 HA GLN 26 HA GLN 26 -5.653 7.182 2.996 213 HB2 GLN 26 2HB GLN 26 -3.610 4.995 2.410 214 HB3 GLN 26 3HB GLN 26 -4.259 5.335 4.010 215 HG2 GLN 26 2HG GLN 26 -5.853 4.390 1.613 216 HG3 GLN 26 3HG GLN 26 -5.364 3.403 2.985 217 HE21 GLN 26 1HE2 GLN 26 -8.043 4.048 1.907 218 HE22 GLN 26 2HE2 GLN 26 -8.932 4.699 3.234 219 H ALA 27 H ALA 27 -2.396 7.037 1.558 220 HA ALA 27 HA ALA 27 -0.935 8.149 3.693 221 HB1 ALA 27 3HB ALA 27 -0.308 8.220 0.720 222 HB2 ALA 27 1HB ALA 27 0.088 6.911 1.832 223 HB3 ALA 27 2HB ALA 27 0.847 8.491 2.031 224 H ARG 28 H ARG 28 -2.836 9.672 1.171 225 HA ARG 28 HA ARG 28 -1.818 12.347 1.623 226 HB2 ARG 28 2HB ARG 28 -4.145 11.366 -0.084 227 HB3 ARG 28 3HB ARG 28 -3.636 13.050 0.015 228 HG2 ARG 28 2HG ARG 28 -1.344 12.280 -0.809 229 HG3 ARG 28 3HG ARG 28 -2.078 10.714 -1.134 230 HD2 ARG 28 2HD ARG 28 -2.964 13.354 -2.352 231 HD3 ARG 28 3HD ARG 28 -1.968 12.138 -3.156 232 HE ARG 28 HE ARG 28 -4.690 11.459 -2.219 233 HH11 ARG 28 1HH1 ARG 28 -2.440 11.842 -4.923 234 HH12 ARG 28 2HH1 ARG 28 -3.510 11.079 -6.061 235 HH21 ARG 28 1HH2 ARG 28 -6.046 10.442 -3.721 236 HH22 ARG 28 2HH2 ARG 28 -5.549 10.289 -5.378 237 H LYS 29 H LYS 29 -4.805 10.529 2.535 238 HA LYS 29 HA LYS 29 -6.075 12.788 3.771 239 HB2 LYS 29 2HB LYS 29 -7.668 11.215 4.771 240 HB3 LYS 29 3HB LYS 29 -7.409 10.825 3.077 241 HG2 LYS 29 2HG LYS 29 -6.014 8.943 3.654 242 HG3 LYS 29 3HG LYS 29 -6.039 9.374 5.361 243 HD2 LYS 29 2HD LYS 29 -8.503 8.552 3.770 244 HD3 LYS 29 3HD LYS 29 -7.533 7.445 4.740 245 HE2 LYS 29 2HE LYS 29 -8.043 8.827 6.761 246 HE3 LYS 29 3HE LYS 29 -9.094 9.839 5.765 247 HZ1 LYS 29 3HZ LYS 29 -10.384 7.801 5.244 248 HZ2 LYS 29 1HZ LYS 29 -10.416 8.210 6.881 249 HZ3 LYS 29 2HZ LYS 29 -9.438 6.947 6.348 250 H PHE 30 H PHE 30 -3.777 10.385 4.939 251 HA PHE 30 HA PHE 30 -3.806 11.319 7.693 252 HB2 PHE 30 2HB PHE 30 -1.833 9.501 6.229 253 HB3 PHE 30 3HB PHE 30 -1.805 9.824 7.960 254 HD1 PHE 30 HD1 PHE 30 -4.542 9.554 8.867 255 HD2 PHE 30 HD2 PHE 30 -2.474 7.280 5.890 256 HE1 PHE 30 HE1 PHE 30 -6.032 7.637 9.280 257 HE2 PHE 30 HE2 PHE 30 -3.983 5.373 6.303 258 HZ PHE 30 HZ PHE 30 -5.757 5.551 7.998 259 H ALA 31 H ALA 31 -2.417 12.332 4.778 260 HA ALA 31 HA ALA 31 -1.208 14.085 4.137 261 HB1 ALA 31 3HB ALA 31 -2.499 15.377 5.784 262 HB2 ALA 31 1HB ALA 31 -0.855 15.997 5.610 263 HB3 ALA 31 2HB ALA 31 -1.290 15.025 7.019 264 H GLY 32 H GLY 32 0.351 12.444 3.695 265 HA2 GLY 32 2HA GLY 32 2.974 13.175 4.840 266 HA3 GLY 32 3HA GLY 32 2.528 11.469 4.705 267 H THR 33 H THR 33 4.409 11.304 3.272 268 HA THR 33 HA THR 33 3.855 12.146 0.483 269 HB THR 33 HB THR 33 6.521 11.341 1.762 270 HG1 THR 33 HG1 THR 33 5.770 13.413 2.393 271 HG21 THR 33 3HG2 THR 33 5.992 12.434 -1.033 272 HG22 THR 33 1HG2 THR 33 6.448 10.768 -0.663 273 HG23 THR 33 2HG2 THR 33 7.577 12.086 -0.338 274 H VAL 34 H VAL 34 4.014 10.475 -1.154 275 HA VAL 34 HA VAL 34 4.293 7.697 -0.255 276 HB VAL 34 HB VAL 34 1.942 8.017 0.034 277 HG11 VAL 34 1HG1 VAL 34 1.730 9.141 -2.770 278 HG12 VAL 34 2HG1 VAL 34 1.603 10.061 -1.270 279 HG13 VAL 34 3HG1 VAL 34 0.386 8.844 -1.662 280 HG21 VAL 34 3HG2 VAL 34 0.961 6.385 -1.524 281 HG22 VAL 34 1HG2 VAL 34 2.563 5.874 -0.987 282 HG23 VAL 34 2HG2 VAL 34 2.350 6.560 -2.600 283 H THR 35 H THR 35 5.984 7.194 -1.437 284 HA THR 35 HA THR 35 6.196 7.687 -4.313 285 HB THR 35 HB THR 35 8.073 6.242 -2.362 286 HG1 THR 35 HG1 THR 35 8.378 8.247 -1.738 287 HG21 THR 35 3HG2 THR 35 9.818 6.524 -4.054 288 HG22 THR 35 1HG2 THR 35 8.676 7.304 -5.148 289 HG23 THR 35 2HG2 THR 35 8.480 5.597 -4.740 290 H TYR 36 H TYR 36 6.336 5.879 -5.822 291 HA TYR 36 HA TYR 36 5.811 3.180 -4.856 292 HB2 TYR 36 2HB TYR 36 3.834 2.790 -6.224 293 HB3 TYR 36 3HB TYR 36 3.528 4.108 -5.112 294 HD1 TYR 36 HD2 TYR 36 3.470 6.501 -6.018 295 HD2 TYR 36 HD1 TYR 36 3.606 3.093 -8.612 296 HE1 TYR 36 HE2 TYR 36 2.671 7.880 -7.891 297 HE2 TYR 36 HE1 TYR 36 2.799 4.480 -10.470 298 HH TYR 36 HH TYR 36 1.637 6.518 -10.872 299 H THR 37 H THR 37 6.534 1.607 -6.199 300 HA THR 37 HA THR 37 7.806 2.373 -8.774 301 HB THR 37 HB THR 37 8.838 0.376 -6.695 302 HG1 THR 37 HG1 THR 37 9.127 3.024 -6.867 303 HG21 THR 37 3HG2 THR 37 9.446 -0.337 -8.996 304 HG22 THR 37 1HG2 THR 37 10.868 0.226 -8.113 305 HG23 THR 37 2HG2 THR 37 10.114 1.265 -9.323 306 H LEU 38 H LEU 38 6.499 1.481 -10.313 307 HA LEU 38 HA LEU 38 5.337 -1.184 -9.986 308 HB2 LEU 38 2HB LEU 38 5.209 0.893 -12.214 309 HB3 LEU 38 3HB LEU 38 4.537 -0.719 -12.410 310 HG LEU 38 HG LEU 38 3.647 1.271 -10.278 311 HD11 LEU 38 1HD1 LEU 38 3.001 2.055 -12.506 312 HD12 LEU 38 2HD1 LEU 38 1.595 1.535 -11.584 313 HD13 LEU 38 3HD1 LEU 38 2.245 0.497 -12.858 314 HD21 LEU 38 3HD2 LEU 38 1.795 -0.280 -9.877 315 HD22 LEU 38 1HD2 LEU 38 3.350 -1.056 -9.572 316 HD23 LEU 38 2HD2 LEU 38 2.461 -1.411 -11.058 317 H ASP 39 H ASP 39 6.783 -2.769 -10.152 318 HA ASP 39 HA ASP 39 8.621 -2.913 -12.464 319 HB2 ASP 39 2HB ASP 39 9.889 -2.837 -10.345 320 HB3 ASP 39 3HB ASP 39 8.924 -4.149 -9.678 321 H GLY 40 H GLY 40 7.077 -3.818 -13.798 322 HA2 GLY 40 2HA GLY 40 6.075 -5.517 -14.918 323 HA3 GLY 40 3HA GLY 40 6.908 -6.636 -13.852 324 H ASN 41 H ASN 41 5.881 -7.225 -11.867 325 HA ASN 41 HA ASN 41 2.984 -6.736 -11.616 326 HB2 ASN 41 2HB ASN 41 4.341 -9.458 -11.730 327 HB3 ASN 41 3HB ASN 41 2.719 -9.230 -11.083 328 HD21 ASN 41 1HD2 ASN 41 1.087 -8.398 -12.517 329 HD22 ASN 41 2HD2 ASN 41 1.181 -8.734 -14.211 330 H ASP 42 H ASP 42 5.477 -5.867 -10.138 331 HA ASP 42 HA ASP 42 4.133 -6.209 -7.549 332 HB2 ASP 42 2HB ASP 42 6.295 -6.292 -6.297 333 HB3 ASP 42 3HB ASP 42 6.006 -7.718 -7.284 334 H LEU 43 H LEU 43 4.525 -4.521 -6.090 335 HA LEU 43 HA LEU 43 5.140 -1.902 -7.285 336 HB2 LEU 43 2HB LEU 43 2.829 -2.245 -7.796 337 HB3 LEU 43 3HB LEU 43 2.505 -2.995 -6.243 338 HG LEU 43 HG LEU 43 2.775 -0.747 -5.147 339 HD11 LEU 43 1HD1 LEU 43 4.183 0.369 -6.798 340 HD12 LEU 43 2HD1 LEU 43 2.719 1.294 -6.474 341 HD13 LEU 43 3HD1 LEU 43 2.856 0.353 -7.960 342 HD21 LEU 43 3HD2 LEU 43 0.581 0.064 -5.808 343 HD22 LEU 43 1HD2 LEU 43 0.584 -1.695 -5.694 344 HD23 LEU 43 2HD2 LEU 43 0.632 -0.912 -7.278 345 H GLU 44 H GLU 44 6.770 -1.368 -5.839 346 HA GLU 44 HA GLU 44 6.378 -1.710 -2.956 347 HB2 GLU 44 2HB GLU 44 8.601 -2.230 -3.896 348 HB3 GLU 44 3HB GLU 44 8.752 -0.584 -4.513 349 HG2 GLU 44 2HG GLU 44 8.660 0.267 -2.159 350 HG3 GLU 44 3HG GLU 44 8.611 -1.397 -1.580 351 H ILE 45 H ILE 45 4.975 -0.271 -2.222 352 HA ILE 45 HA ILE 45 5.091 2.600 -2.864 353 HB ILE 45 HB ILE 45 3.149 0.976 -1.134 354 HG12 ILE 45 2HG1 ILE 45 2.732 2.145 -3.923 355 HG13 ILE 45 3HG1 ILE 45 3.074 0.453 -3.589 356 HG21 ILE 45 1HG2 ILE 45 1.708 2.985 -1.119 357 HG22 ILE 45 2HG2 ILE 45 2.949 3.885 -1.991 358 HG23 ILE 45 3HG2 ILE 45 3.268 3.307 -0.356 359 HD11 ILE 45 3HD1 ILE 45 0.982 0.291 -2.332 360 HD12 ILE 45 1HD1 ILE 45 0.745 0.768 -4.012 361 HD13 ILE 45 2HD1 ILE 45 0.627 1.975 -2.734 362 H ARG 46 H ARG 46 6.306 3.900 -1.541 363 HA ARG 46 HA ARG 46 6.909 3.046 1.239 364 HB2 ARG 46 2HB ARG 46 8.582 4.747 -0.670 365 HB3 ARG 46 3HB ARG 46 8.989 4.441 1.019 366 HG2 ARG 46 2HG ARG 46 9.127 2.000 0.510 367 HG3 ARG 46 3HG ARG 46 8.797 2.363 -1.187 368 HD2 ARG 46 2HD ARG 46 11.198 3.312 0.414 369 HD3 ARG 46 3HD ARG 46 11.200 2.041 -0.812 370 HE ARG 46 HE ARG 46 10.450 3.884 -2.389 371 HH11 ARG 46 1HH1 ARG 46 12.522 4.560 0.379 372 HH12 ARG 46 2HH1 ARG 46 13.267 5.942 -0.361 373 HH21 ARG 46 1HH2 ARG 46 11.425 5.695 -3.346 374 HH22 ARG 46 2HH2 ARG 46 12.637 6.586 -2.486 375 H ILE 47 H ILE 47 5.797 4.200 2.644 376 HA ILE 47 HA ILE 47 4.806 6.905 1.946 377 HB ILE 47 HB ILE 47 3.734 4.957 4.052 378 HG12 ILE 47 2HG1 ILE 47 2.618 5.686 1.294 379 HG13 ILE 47 3HG1 ILE 47 3.380 4.158 1.706 380 HG21 ILE 47 1HG2 ILE 47 2.609 7.616 3.081 381 HG22 ILE 47 2HG2 ILE 47 3.328 7.315 4.665 382 HG23 ILE 47 3HG2 ILE 47 1.815 6.523 4.219 383 HD11 ILE 47 3HD1 ILE 47 1.551 3.675 3.258 384 HD12 ILE 47 1HD1 ILE 47 0.998 3.922 1.604 385 HD13 ILE 47 2HD1 ILE 47 0.773 5.194 2.804 386 H THR 48 H THR 48 5.733 8.573 2.947 387 HA THR 48 HA THR 48 7.540 8.138 5.249 388 HB THR 48 HB THR 48 7.668 10.314 3.096 389 HG1 THR 48 HG1 THR 48 9.284 7.966 3.293 390 HG21 THR 48 3HG2 THR 48 8.816 10.953 5.195 391 HG22 THR 48 1HG2 THR 48 9.973 10.684 3.886 392 HG23 THR 48 2HG2 THR 48 9.755 9.460 5.138 393 H GLY 49 H GLY 49 7.588 9.779 6.882 394 HA2 GLY 49 2HA GLY 49 7.033 11.674 8.058 395 HA3 GLY 49 3HA GLY 49 6.067 12.215 6.695 396 H VAL 50 H VAL 50 5.333 9.068 7.846 397 HA VAL 50 HA VAL 50 2.961 10.063 9.314 398 HB VAL 50 HB VAL 50 1.911 7.828 8.818 399 HG11 VAL 50 1HG1 VAL 50 1.359 9.762 7.419 400 HG12 VAL 50 2HG1 VAL 50 1.372 8.297 6.436 401 HG13 VAL 50 3HG1 VAL 50 2.731 9.425 6.359 402 HG21 VAL 50 3HG2 VAL 50 4.290 7.382 6.972 403 HG22 VAL 50 1HG2 VAL 50 2.849 6.358 7.064 404 HG23 VAL 50 2HG2 VAL 50 3.941 6.479 8.446 405 HA PRO 51 HA PRO 51 5.007 8.358 12.995 406 HB2 PRO 51 2HB PRO 51 2.906 8.577 14.774 407 HB3 PRO 51 3HB PRO 51 3.846 9.982 14.223 408 HG2 PRO 51 2HG PRO 51 1.190 8.991 13.238 409 HG3 PRO 51 3HG PRO 51 1.695 10.655 13.609 410 HD2 PRO 51 2HD PRO 51 1.614 9.717 11.061 411 HD3 PRO 51 3HD PRO 51 2.830 10.906 11.582 412 H GLU 52 H GLU 52 4.461 6.649 14.741 413 HA GLU 52 HA GLU 52 4.362 4.185 13.412 414 HB2 GLU 52 2HB GLU 52 5.591 4.626 15.564 415 HB3 GLU 52 3HB GLU 52 4.048 4.672 16.413 416 HG2 GLU 52 2HG GLU 52 5.064 2.507 16.773 417 HG3 GLU 52 3HG GLU 52 3.652 2.296 15.740 418 H GLN 53 H GLN 53 1.910 5.765 15.448 419 HA GLN 53 HA GLN 53 -0.058 3.816 15.542 420 HB2 GLN 53 2HB GLN 53 -1.679 5.725 15.860 421 HB3 GLN 53 3HB GLN 53 -0.263 5.801 16.903 422 HG2 GLN 53 2HG GLN 53 0.743 7.528 15.519 423 HG3 GLN 53 3HG GLN 53 -0.554 7.391 14.335 424 HE21 GLN 53 1HE2 GLN 53 -2.564 8.338 14.785 425 HE22 GLN 53 2HE2 GLN 53 -2.788 9.464 16.075 426 H VAL 54 H VAL 54 0.554 6.213 13.011 427 HA VAL 54 HA VAL 54 -1.771 5.614 11.429 428 HB VAL 54 HB VAL 54 0.742 7.262 10.870 429 HG11 VAL 54 1HG1 VAL 54 -1.796 7.120 9.204 430 HG12 VAL 54 2HG1 VAL 54 -0.196 6.548 8.723 431 HG13 VAL 54 3HG1 VAL 54 -0.481 8.272 8.972 432 HG21 VAL 54 3HG2 VAL 54 -0.708 9.208 11.283 433 HG22 VAL 54 1HG2 VAL 54 -0.685 8.138 12.684 434 HG23 VAL 54 2HG2 VAL 54 -2.078 8.140 11.599 435 H ARG 55 H ARG 55 1.700 4.900 11.231 436 HA ARG 55 HA ARG 55 2.002 3.489 8.896 437 HB2 ARG 55 2HB ARG 55 3.303 3.296 11.625 438 HB3 ARG 55 3HB ARG 55 3.752 2.128 10.396 439 HG2 ARG 55 2HG ARG 55 4.720 3.770 9.003 440 HG3 ARG 55 3HG ARG 55 3.917 5.096 9.848 441 HD2 ARG 55 2HD ARG 55 6.404 4.815 10.300 442 HD3 ARG 55 3HD ARG 55 5.363 4.929 11.714 443 HE ARG 55 HE ARG 55 5.563 2.322 11.613 444 HH11 ARG 55 1HH1 ARG 55 8.177 4.633 11.054 445 HH12 ARG 55 2HH1 ARG 55 9.406 3.542 11.615 446 HH21 ARG 55 1HH2 ARG 55 7.168 0.967 12.433 447 HH22 ARG 55 2HH2 ARG 55 8.834 1.461 12.400 448 H LYS 56 H LYS 56 1.018 2.192 12.061 449 HA LYS 56 HA LYS 56 0.670 -0.487 11.205 450 HB2 LYS 56 2HB LYS 56 -0.490 0.901 13.657 451 HB3 LYS 56 3HB LYS 56 -0.394 -0.842 13.412 452 HG2 LYS 56 2HG LYS 56 2.104 -0.660 13.323 453 HG3 LYS 56 3HG LYS 56 1.961 1.062 13.664 454 HD2 LYS 56 2HD LYS 56 2.477 -0.004 15.750 455 HD3 LYS 56 3HD LYS 56 0.771 0.442 15.827 456 HE2 LYS 56 2HE LYS 56 0.146 -1.887 15.261 457 HE3 LYS 56 3HE LYS 56 1.854 -2.321 15.182 458 HZ1 LYS 56 3HZ LYS 56 0.416 -1.366 17.607 459 HZ2 LYS 56 1HZ LYS 56 2.063 -1.752 17.525 460 HZ3 LYS 56 2HZ LYS 56 0.901 -2.954 17.289 461 H GLU 57 H GLU 57 -1.544 2.299 11.189 462 HA GLU 57 HA GLU 57 -3.923 0.810 10.605 463 HB2 GLU 57 2HB GLU 57 -3.274 3.726 9.972 464 HB3 GLU 57 3HB GLU 57 -4.869 2.994 9.820 465 HG2 GLU 57 2HG GLU 57 -3.300 3.329 12.389 466 HG3 GLU 57 3HG GLU 57 -4.670 4.309 11.879 467 H LEU 58 H LEU 58 -1.395 2.322 8.598 468 HA LEU 58 HA LEU 58 -2.437 1.708 6.050 469 HB2 LEU 58 2HB LEU 58 0.328 2.326 7.074 470 HB3 LEU 58 3HB LEU 58 0.183 1.662 5.467 471 HG LEU 58 HG LEU 58 0.338 3.982 5.145 472 HD11 LEU 58 1HD1 LEU 58 -2.623 3.362 4.949 473 HD12 LEU 58 2HD1 LEU 58 -1.386 3.005 3.740 474 HD13 LEU 58 3HD1 LEU 58 -1.770 4.677 4.131 475 HD21 LEU 58 3HD2 LEU 58 -1.764 4.454 7.270 476 HD22 LEU 58 1HD2 LEU 58 -0.993 5.694 6.275 477 HD23 LEU 58 2HD2 LEU 58 -0.033 4.757 7.415 478 H ALA 59 H ALA 59 -0.749 -0.279 8.401 479 HA ALA 59 HA ALA 59 -0.148 -2.496 6.774 480 HB1 ALA 59 3HB ALA 59 -0.016 -3.774 8.863 481 HB2 ALA 59 1HB ALA 59 -0.813 -2.459 9.737 482 HB3 ALA 59 2HB ALA 59 0.784 -2.212 9.032 483 H LYS 60 H LYS 60 -3.090 -1.772 8.751 484 HA LYS 60 HA LYS 60 -4.482 -4.145 7.905 485 HB2 LYS 60 2HB LYS 60 -5.403 -1.674 9.390 486 HB3 LYS 60 3HB LYS 60 -6.585 -2.814 8.770 487 HG2 LYS 60 2HG LYS 60 -6.319 -3.515 10.977 488 HG3 LYS 60 3HG LYS 60 -5.271 -4.623 10.094 489 HD2 LYS 60 2HD LYS 60 -4.173 -3.894 12.135 490 HD3 LYS 60 3HD LYS 60 -3.307 -3.228 10.745 491 HE2 LYS 60 2HE LYS 60 -3.593 -1.590 12.599 492 HE3 LYS 60 3HE LYS 60 -4.331 -1.047 11.096 493 HZ1 LYS 60 3HZ LYS 60 -6.490 -1.719 11.984 494 HZ2 LYS 60 1HZ LYS 60 -5.731 -0.591 12.989 495 HZ3 LYS 60 2HZ LYS 60 -5.759 -2.222 13.422 496 H GLU 61 H GLU 61 -4.150 -0.922 6.558 497 HA GLU 61 HA GLU 61 -6.281 -1.129 4.668 498 HB2 GLU 61 2HB GLU 61 -3.773 0.599 4.687 499 HB3 GLU 61 3HB GLU 61 -5.029 0.722 3.457 500 HG2 GLU 61 2HG GLU 61 -5.335 1.274 6.418 501 HG3 GLU 61 3HG GLU 61 -5.334 2.465 5.115 502 H ALA 62 H ALA 62 -2.802 -1.837 4.566 503 HA ALA 62 HA ALA 62 -2.525 -2.776 1.960 504 HB1 ALA 62 3HB ALA 62 -0.643 -2.380 3.498 505 HB2 ALA 62 1HB ALA 62 -0.566 -4.004 2.825 506 HB3 ALA 62 2HB ALA 62 -1.134 -3.764 4.479 507 H GLU 63 H GLU 63 -3.561 -4.480 4.900 508 HA GLU 63 HA GLU 63 -3.795 -7.089 3.838 509 HB2 GLU 63 2HB GLU 63 -5.126 -5.827 6.272 510 HB3 GLU 63 3HB GLU 63 -5.095 -7.559 5.931 511 HG2 GLU 63 2HG GLU 63 -2.611 -7.513 6.057 512 HG3 GLU 63 3HG GLU 63 -2.676 -5.805 6.456 513 H ARG 64 H ARG 64 -6.261 -4.495 4.247 514 HA ARG 64 HA ARG 64 -8.454 -6.162 3.456 515 HB2 ARG 64 2HB ARG 64 -9.820 -4.096 3.319 516 HB3 ARG 64 3HB ARG 64 -8.938 -4.210 4.836 517 HG2 ARG 64 2HG ARG 64 -7.359 -2.547 4.143 518 HG3 ARG 64 3HG ARG 64 -7.986 -2.538 2.496 519 HD2 ARG 64 2HD ARG 64 -9.671 -1.719 4.886 520 HD3 ARG 64 3HD ARG 64 -8.649 -0.584 4.005 521 HE ARG 64 HE ARG 64 -10.762 -2.123 2.623 522 HH11 ARG 64 1HH1 ARG 64 -9.368 1.013 3.478 523 HH12 ARG 64 2HH1 ARG 64 -10.423 1.891 2.419 524 HH21 ARG 64 1HH2 ARG 64 -12.098 -0.943 1.216 525 HH22 ARG 64 2HH2 ARG 64 -11.966 0.786 1.140 526 H LEU 65 H LEU 65 -6.217 -4.058 1.707 527 HA LEU 65 HA LEU 65 -7.620 -4.203 -0.816 528 HB2 LEU 65 2HB LEU 65 -4.741 -3.419 -0.207 529 HB3 LEU 65 3HB LEU 65 -5.551 -3.176 -1.750 530 HG LEU 65 HG LEU 65 -6.348 -1.855 0.875 531 HD11 LEU 65 1HD1 LEU 65 -4.226 -0.983 0.071 532 HD12 LEU 65 2HD1 LEU 65 -5.494 0.227 -0.094 533 HD13 LEU 65 3HD1 LEU 65 -4.927 -0.653 -1.517 534 HD21 LEU 65 3HD2 LEU 65 -7.478 -1.411 -1.907 535 HD22 LEU 65 1HD2 LEU 65 -7.876 -0.472 -0.467 536 HD23 LEU 65 2HD2 LEU 65 -8.303 -2.178 -0.547 537 H ALA 66 H ALA 66 -5.095 -6.048 0.787 538 HA ALA 66 HA ALA 66 -4.242 -7.686 -1.341 539 HB1 ALA 66 3HB ALA 66 -3.045 -7.524 0.808 540 HB2 ALA 66 1HB ALA 66 -3.391 -9.203 0.392 541 HB3 ALA 66 2HB ALA 66 -4.362 -8.375 1.616 542 H LYS 67 H LYS 67 -6.822 -8.166 1.079 543 HA LYS 67 HA LYS 67 -7.661 -10.704 -0.006 544 HB2 LYS 67 2HB LYS 67 -9.322 -10.716 1.749 545 HB3 LYS 67 3HB LYS 67 -7.812 -10.127 2.429 546 HG2 LYS 67 2HG LYS 67 -8.699 -7.784 2.198 547 HG3 LYS 67 3HG LYS 67 -10.242 -8.461 1.689 548 HD2 LYS 67 2HD LYS 67 -8.930 -8.957 4.396 549 HD3 LYS 67 3HD LYS 67 -10.188 -7.765 4.090 550 HE2 LYS 67 2HE LYS 67 -11.251 -9.664 5.083 551 HE3 LYS 67 3HE LYS 67 -11.704 -9.667 3.380 552 HZ1 LYS 67 3HZ LYS 67 -10.177 -11.430 2.960 553 HZ2 LYS 67 1HZ LYS 67 -11.092 -11.869 4.308 554 HZ3 LYS 67 2HZ LYS 67 -9.506 -11.319 4.509 555 H GLU 68 H GLU 68 -8.484 -7.378 -0.564 556 HA GLU 68 HA GLU 68 -11.114 -7.734 -1.626 557 HB2 GLU 68 2HB GLU 68 -10.192 -5.562 -0.738 558 HB3 GLU 68 3HB GLU 68 -9.130 -5.468 -2.137 559 HG2 GLU 68 2HG GLU 68 -10.995 -4.012 -2.511 560 HG3 GLU 68 3HG GLU 68 -11.161 -5.383 -3.603 561 H PHE 69 H PHE 69 -7.933 -7.172 -3.135 562 HA PHE 69 HA PHE 69 -9.026 -7.667 -5.822 563 HB2 PHE 69 2HB PHE 69 -6.289 -6.557 -5.041 564 HB3 PHE 69 3HB PHE 69 -7.030 -6.519 -6.639 565 HD1 PHE 69 HD1 PHE 69 -9.604 -5.454 -6.476 566 HD2 PHE 69 HD2 PHE 69 -6.272 -4.457 -3.983 567 HE1 PHE 69 HE1 PHE 69 -10.645 -3.295 -5.923 568 HE2 PHE 69 HE2 PHE 69 -7.326 -2.305 -3.440 569 HZ PHE 69 HZ PHE 69 -9.508 -1.723 -4.406 570 H ASN 70 H ASN 70 -7.722 -9.512 -3.484 571 HA ASN 70 HA ASN 70 -6.696 -11.487 -3.274 572 HB2 ASN 70 2HB ASN 70 -8.610 -12.081 -4.869 573 HB3 ASN 70 3HB ASN 70 -7.438 -12.045 -6.181 574 HD21 ASN 70 1HD2 ASN 70 -5.831 -13.703 -6.257 575 HD22 ASN 70 2HD2 ASN 70 -5.993 -15.170 -5.357 576 H ILE 71 H ILE 71 -4.891 -9.810 -3.331 577 HA ILE 71 HA ILE 71 -2.682 -10.755 -5.059 578 HB ILE 71 HB ILE 71 -1.779 -8.359 -5.000 579 HG12 ILE 71 2HG1 ILE 71 -4.615 -7.726 -4.034 580 HG13 ILE 71 3HG1 ILE 71 -3.122 -7.443 -3.150 581 HG21 ILE 71 1HG2 ILE 71 -2.781 -9.286 -7.040 582 HG22 ILE 71 2HG2 ILE 71 -3.152 -7.568 -6.891 583 HG23 ILE 71 3HG2 ILE 71 -4.383 -8.772 -6.506 584 HD11 ILE 71 3HD1 ILE 71 -2.472 -5.761 -4.818 585 HD12 ILE 71 1HD1 ILE 71 -3.996 -5.379 -4.019 586 HD13 ILE 71 2HD1 ILE 71 -4.003 -6.020 -5.660 587 H THR 72 H THR 72 -0.631 -10.747 -4.030 588 HA THR 72 HA THR 72 -0.765 -11.202 -1.163 589 HB THR 72 HB THR 72 1.662 -11.954 -1.545 590 HG1 THR 72 HG1 THR 72 1.637 -10.648 -3.664 591 HG21 THR 72 3HG2 THR 72 -0.436 -13.336 -3.268 592 HG22 THR 72 1HG2 THR 72 -0.220 -13.583 -1.531 593 HG23 THR 72 2HG2 THR 72 1.052 -14.060 -2.654 594 H VAL 73 H VAL 73 0.113 -9.844 0.385 595 HA VAL 73 HA VAL 73 1.712 -7.519 -0.539 596 HB VAL 73 HB VAL 73 -0.643 -6.836 0.086 597 HG11 VAL 73 1HG1 VAL 73 -1.333 -6.727 2.437 598 HG12 VAL 73 2HG1 VAL 73 0.128 -7.593 2.921 599 HG13 VAL 73 3HG1 VAL 73 -1.084 -8.400 1.923 600 HG21 VAL 73 3HG2 VAL 73 -0.003 -4.847 1.340 601 HG22 VAL 73 1HG2 VAL 73 1.251 -5.235 0.162 602 HG23 VAL 73 2HG2 VAL 73 1.496 -5.616 1.869 603 H THR 74 H THR 74 3.356 -6.883 0.771 604 HA THR 74 HA THR 74 3.830 -8.180 3.362 605 HB THR 74 HB THR 74 5.252 -9.373 1.716 606 HG1 THR 74 HG1 THR 74 7.385 -8.445 2.719 607 HG21 THR 74 3HG2 THR 74 7.054 -8.265 0.469 608 HG22 THR 74 1HG2 THR 74 6.543 -6.690 1.076 609 HG23 THR 74 2HG2 THR 74 5.490 -7.600 -0.012 610 H TYR 75 H TYR 75 4.468 -6.671 4.886 611 HA TYR 75 HA TYR 75 5.208 -3.960 4.000 612 HB2 TYR 75 2HB TYR 75 3.584 -2.992 5.739 613 HB3 TYR 75 3HB TYR 75 2.873 -3.615 4.258 614 HD1 TYR 75 HD1 TYR 75 3.395 -4.385 7.890 615 HD2 TYR 75 HD2 TYR 75 1.236 -5.384 4.329 616 HE1 TYR 75 HE1 TYR 75 1.858 -5.783 9.204 617 HE2 TYR 75 HE2 TYR 75 -0.290 -6.780 5.653 618 HH TYR 75 HH TYR 75 -0.570 -6.633 8.931 619 H THR 76 H THR 76 6.508 -2.828 5.383 620 HA THR 76 HA THR 76 7.688 -4.339 7.629 621 HB THR 76 HB THR 76 9.040 -2.152 5.976 622 HG1 THR 76 HG1 THR 76 8.553 -3.837 4.569 623 HG21 THR 76 3HG2 THR 76 10.222 -4.358 7.727 624 HG22 THR 76 1HG2 THR 76 10.117 -2.648 8.171 625 HG23 THR 76 2HG2 THR 76 11.139 -3.151 6.827 626 H ILE 77 H ILE 77 7.149 -3.513 9.538 627 HA ILE 77 HA ILE 77 7.609 -0.692 10.114 628 HB ILE 77 HB ILE 77 5.557 -0.795 11.785 629 HG12 ILE 77 2HG1 ILE 77 4.620 -2.815 9.690 630 HG13 ILE 77 3HG1 ILE 77 4.910 -3.146 11.392 631 HG21 ILE 77 1HG2 ILE 77 5.740 0.844 9.990 632 HG22 ILE 77 2HG2 ILE 77 4.075 0.282 10.150 633 HG23 ILE 77 3HG2 ILE 77 5.085 -0.318 8.833 634 HD11 ILE 77 3HD1 ILE 77 2.547 -2.986 10.933 635 HD12 ILE 77 1HD1 ILE 77 2.743 -1.357 10.280 636 HD13 ILE 77 2HD1 ILE 77 3.047 -1.670 11.993 637 H ARG 78 H ARG 78 9.062 -0.701 11.663 638 HA ARG 78 HA ARG 78 9.231 -2.987 13.548 639 HB2 ARG 78 2HB ARG 78 11.460 -1.183 12.517 640 HB3 ARG 78 3HB ARG 78 11.661 -2.504 13.666 641 HG2 ARG 78 2HG ARG 78 10.977 -4.128 11.945 642 HG3 ARG 78 3HG ARG 78 10.722 -2.813 10.793 643 HD2 ARG 78 2HD ARG 78 13.103 -2.247 10.900 644 HD3 ARG 78 3HD ARG 78 13.362 -3.524 12.093 645 HE ARG 78 HE ARG 78 12.248 -4.345 9.521 646 HH11 ARG 78 1HH1 ARG 78 15.148 -4.094 11.517 647 HH12 ARG 78 2HH1 ARG 78 16.037 -5.241 10.560 648 HH21 ARG 78 1HH2 ARG 78 13.447 -5.854 8.291 649 HH22 ARG 78 2HH2 ARG 78 15.079 -6.229 8.750 650 H GLY 79 H GLY 79 8.155 -2.284 15.252 651 HA2 GLY 79 2HA GLY 79 8.313 0.429 16.310 652 HA3 GLY 79 3HA GLY 79 7.351 -0.902 16.942 653 H SER 80 H SER 80 10.725 0.139 16.545 654 HA SER 80 HA SER 80 12.637 -0.150 17.704 655 HB2 SER 80 2HB SER 80 10.769 -0.298 20.110 656 HB3 SER 80 3HB SER 80 12.504 0.020 20.180 657 HG SER 80 HG SER 80 10.413 1.674 19.390 658 H LEU 81 H LEU 81 11.486 -2.468 16.520 659 HA LEU 81 HA LEU 81 11.449 -4.700 18.368 660 HB2 LEU 81 2HB LEU 81 11.209 -4.686 15.334 661 HB3 LEU 81 3HB LEU 81 10.869 -6.057 16.376 662 HG LEU 81 HG LEU 81 9.275 -3.473 16.213 663 HD11 LEU 81 1HD1 LEU 81 8.513 -6.285 15.374 664 HD12 LEU 81 2HD1 LEU 81 8.904 -4.937 14.301 665 HD13 LEU 81 3HD1 LEU 81 7.475 -4.857 15.324 666 HD21 LEU 81 3HD2 LEU 81 7.678 -4.480 17.768 667 HD22 LEU 81 1HD2 LEU 81 9.255 -4.257 18.520 668 HD23 LEU 81 2HD2 LEU 81 8.747 -5.867 17.999 669 H GLU 82 H GLU 82 14.077 -3.225 17.606 670 HA GLU 82 HA GLU 82 15.620 -5.288 16.231 671 HB2 GLU 82 2HB GLU 82 16.696 -2.656 17.352 672 HB3 GLU 82 3HB GLU 82 17.390 -3.647 16.076 673 HG2 GLU 82 2HG GLU 82 14.887 -1.945 15.914 674 HG3 GLU 82 3HG GLU 82 16.422 -1.657 15.103 675 H HIS 83 H HIS 83 15.038 -6.724 18.075 676 HA HIS 83 HA HIS 83 15.364 -7.833 20.032 677 HB2 HIS 83 2HB HIS 83 17.598 -8.883 20.167 678 HB3 HIS 83 3HB HIS 83 17.024 -8.803 18.506 679 HD1 HIS 83 HD1 HIS 83 19.767 -7.696 20.733 680 HD2 HIS 83 HD2 HIS 83 18.522 -6.987 16.832 681 HE1 HIS 83 HE1 HIS 83 21.683 -6.543 19.603 682 HE2 HIS 83 HE2 HIS 83 20.906 -6.114 17.255 683 H HIS 84 H HIS 84 14.797 -5.451 20.923 684 HA HIS 84 HA HIS 84 16.799 -4.053 22.360 685 HB2 HIS 84 2HB HIS 84 14.964 -2.730 23.377 686 HB3 HIS 84 3HB HIS 84 14.777 -2.881 21.636 687 HD1 HIS 84 HD1 HIS 84 13.158 -3.790 24.877 688 HD2 HIS 84 HD2 HIS 84 12.472 -4.341 20.824 689 HE1 HIS 84 HE1 HIS 84 10.813 -4.659 24.698 690 HE2 HIS 84 HE2 HIS 84 10.449 -5.037 22.251 691 H HIS 85 H HIS 85 17.932 -5.311 23.678 692 HA HIS 85 HA HIS 85 17.063 -5.927 26.315 693 HB2 HIS 85 2HB HIS 85 16.051 -7.880 25.064 694 HB3 HIS 85 3HB HIS 85 17.652 -8.329 24.503 695 HD1 HIS 85 HD1 HIS 85 17.994 -10.517 25.672 696 HD2 HIS 85 HD2 HIS 85 16.626 -7.585 28.274 697 HE1 HIS 85 HE1 HIS 85 18.020 -11.569 27.948 698 HE2 HIS 85 HE2 HIS 85 17.463 -9.694 29.511 699 H HIS 86 H HIS 86 18.860 -4.318 26.207 700 HA HIS 86 HA HIS 86 21.509 -5.221 25.395 701 HB2 HIS 86 2HB HIS 86 22.237 -2.901 25.985 702 HB3 HIS 86 3HB HIS 86 20.902 -2.936 24.848 703 HD1 HIS 86 HD1 HIS 86 18.757 -1.740 25.512 704 HD2 HIS 86 HD2 HIS 86 21.510 -1.921 28.624 705 HE1 HIS 86 HE1 HIS 86 17.890 -0.182 27.279 706 HE2 HIS 86 HE2 HIS 86 19.488 -0.432 29.195 707 H HIS 87 H HIS 87 20.102 -6.431 27.748 708 HA HIS 87 HA HIS 87 22.596 -6.836 29.203 709 HB2 HIS 87 2HB HIS 87 21.625 -6.742 31.398 710 HB3 HIS 87 3HB HIS 87 21.053 -5.282 30.600 711 HD1 HIS 87 HD1 HIS 87 19.885 -8.186 32.461 712 HD2 HIS 87 HD2 HIS 87 18.214 -5.548 29.719 713 HE1 HIS 87 HE1 HIS 87 17.406 -8.436 32.703 714 HE2 HIS 87 HE2 HIS 87 16.426 -6.691 31.195 715 H HIS 88 H HIS 88 22.634 -9.055 30.139 716 HA HIS 88 HA HIS 88 20.977 -10.926 28.594 717 HB2 HIS 88 2HB HIS 88 23.290 -11.450 30.520 718 HB3 HIS 88 3HB HIS 88 22.466 -12.688 29.580 719 HD1 HIS 88 HD1 HIS 88 23.456 -13.199 27.353 720 HD2 HIS 88 HD2 HIS 88 24.671 -9.482 28.767 721 HE1 HIS 88 HE1 HIS 88 25.185 -12.384 25.725 722 HE2 HIS 88 HE2 HIS 88 25.783 -10.075 26.517 Start of MODEL 19 1 H1 MET 1 1H MET 1 12.090 11.093 9.471 2 H2 MET 1 2H MET 1 12.915 10.330 10.730 3 H3 MET 1 3H MET 1 12.275 11.883 10.955 4 HA MET 1 HA MET 1 10.899 10.274 12.046 5 HB2 MET 1 2HB MET 1 9.860 12.280 10.968 6 HB3 MET 1 3HB MET 1 9.581 11.345 9.507 7 HG2 MET 1 2HG MET 1 8.026 9.889 10.709 8 HG3 MET 1 3HG MET 1 8.365 10.742 12.219 9 HE1 MET 1 3HE MET 1 4.762 11.991 11.594 10 HE2 MET 1 1HE MET 1 5.900 11.319 12.758 11 HE3 MET 1 2HE MET 1 5.394 10.363 11.361 12 H GLY 2 H GLY 2 9.596 8.371 11.939 13 HA2 GLY 2 2HA GLY 2 10.695 6.205 10.514 14 HA3 GLY 2 3HA GLY 2 9.212 6.183 11.449 15 H GLU 3 H GLU 3 9.730 4.778 9.033 16 HA GLU 3 HA GLU 3 7.739 5.929 7.169 17 HB2 GLU 3 2HB GLU 3 9.098 5.430 5.257 18 HB3 GLU 3 3HB GLU 3 10.121 6.322 6.365 19 HG2 GLU 3 2HG GLU 3 10.190 3.314 5.935 20 HG3 GLU 3 3HG GLU 3 11.316 4.472 5.235 21 H MET 4 H MET 4 6.672 4.369 5.883 22 HA MET 4 HA MET 4 6.888 1.555 6.740 23 HB2 MET 4 2HB MET 4 4.772 2.553 7.532 24 HB3 MET 4 3HB MET 4 4.383 3.075 5.893 25 HG2 MET 4 2HG MET 4 4.159 0.784 5.151 26 HG3 MET 4 3HG MET 4 4.780 0.183 6.692 27 HE1 MET 4 3HE MET 4 1.165 -1.011 7.065 28 HE2 MET 4 1HE MET 4 2.870 -1.414 7.246 29 HE3 MET 4 2HE MET 4 2.198 -1.101 5.643 30 H ASP 5 H ASP 5 7.045 0.032 5.107 31 HA ASP 5 HA ASP 5 6.976 0.939 2.309 32 HB2 ASP 5 2HB ASP 5 9.212 0.228 2.728 33 HB3 ASP 5 3HB ASP 5 8.703 -1.033 3.838 34 H ILE 6 H ILE 6 5.130 0.223 1.386 35 HA ILE 6 HA ILE 6 3.914 -2.331 2.290 36 HB ILE 6 HB ILE 6 2.499 -0.024 0.860 37 HG12 ILE 6 2HG1 ILE 6 2.396 -0.716 3.835 38 HG13 ILE 6 3HG1 ILE 6 3.234 0.671 3.149 39 HG21 ILE 6 1HG2 ILE 6 1.388 -2.507 2.218 40 HG22 ILE 6 2HG2 ILE 6 1.474 -2.227 0.478 41 HG23 ILE 6 3HG2 ILE 6 0.423 -1.225 1.479 42 HD11 ILE 6 3HD1 ILE 6 0.253 0.199 3.126 43 HD12 ILE 6 1HD1 ILE 6 1.082 1.565 2.373 44 HD13 ILE 6 2HD1 ILE 6 1.147 1.348 4.119 45 H ARG 7 H ARG 7 4.650 -3.819 0.850 46 HA ARG 7 HA ARG 7 4.869 -3.090 -2.007 47 HB2 ARG 7 2HB ARG 7 7.025 -3.663 -0.789 48 HB3 ARG 7 3HB ARG 7 6.397 -5.289 -0.537 49 HG2 ARG 7 2HG ARG 7 6.415 -5.741 -2.923 50 HG3 ARG 7 3HG ARG 7 6.787 -4.055 -3.288 51 HD2 ARG 7 2HD ARG 7 8.990 -4.333 -2.117 52 HD3 ARG 7 3HD ARG 7 8.611 -6.045 -1.890 53 HE ARG 7 HE ARG 7 8.353 -5.483 -4.614 54 HH11 ARG 7 1HH1 ARG 7 10.943 -5.552 -2.263 55 HH12 ARG 7 2HH1 ARG 7 12.157 -5.956 -3.423 56 HH21 ARG 7 1HH2 ARG 7 9.945 -6.038 -6.124 57 HH22 ARG 7 2HH2 ARG 7 11.592 -6.232 -5.619 58 H PHE 8 H PHE 8 3.451 -4.021 -3.295 59 HA PHE 8 HA PHE 8 1.888 -6.376 -2.428 60 HB2 PHE 8 2HB PHE 8 1.288 -4.198 -4.487 61 HB3 PHE 8 3HB PHE 8 0.337 -5.669 -4.356 62 HD1 PHE 8 HD2 PHE 8 -1.161 -6.040 -2.426 63 HD2 PHE 8 HD1 PHE 8 1.046 -2.392 -2.842 64 HE1 PHE 8 HE2 PHE 8 -2.634 -4.958 -0.783 65 HE2 PHE 8 HE1 PHE 8 -0.438 -1.322 -1.207 66 HZ PHE 8 HZ PHE 8 -2.275 -2.596 -0.171 67 H ARG 9 H ARG 9 1.626 -8.058 -3.980 68 HA ARG 9 HA ARG 9 3.109 -8.016 -6.464 69 HB2 ARG 9 2HB ARG 9 4.726 -8.806 -4.591 70 HB3 ARG 9 3HB ARG 9 3.727 -10.245 -4.455 71 HG2 ARG 9 2HG ARG 9 5.044 -9.418 -7.065 72 HG3 ARG 9 3HG ARG 9 5.872 -10.416 -5.872 73 HD2 ARG 9 2HD ARG 9 4.319 -12.209 -6.150 74 HD3 ARG 9 3HD ARG 9 3.183 -11.200 -7.045 75 HE ARG 9 HE ARG 9 5.606 -11.298 -8.464 76 HH11 ARG 9 1HH1 ARG 9 2.947 -13.444 -7.591 77 HH12 ARG 9 2HH1 ARG 9 3.142 -14.446 -8.993 78 HH21 ARG 9 1HH2 ARG 9 5.824 -12.636 -10.309 79 HH22 ARG 9 2HH2 ARG 9 4.758 -13.989 -10.523 80 H GLY 10 H GLY 10 1.825 -8.904 -7.922 81 HA2 GLY 10 2HA GLY 10 0.255 -11.289 -7.447 82 HA3 GLY 10 3HA GLY 10 -0.711 -9.828 -7.676 83 H ASP 11 H ASP 11 -0.689 -12.116 -9.401 84 HA ASP 11 HA ASP 11 1.058 -11.835 -11.639 85 HB2 ASP 11 2HB ASP 11 0.021 -13.979 -10.978 86 HB3 ASP 11 3HB ASP 11 -1.571 -13.342 -11.358 87 H ASP 12 H ASP 12 -1.677 -10.043 -10.761 88 HA ASP 12 HA ASP 12 -2.035 -9.003 -13.504 89 HB2 ASP 12 2HB ASP 12 -4.100 -9.994 -12.676 90 HB3 ASP 12 3HB ASP 12 -4.005 -9.054 -11.191 91 H LEU 13 H LEU 13 -1.145 -7.107 -13.818 92 HA LEU 13 HA LEU 13 -0.082 -5.369 -11.861 93 HB2 LEU 13 2HB LEU 13 0.784 -5.721 -14.167 94 HB3 LEU 13 3HB LEU 13 -0.612 -4.893 -14.814 95 HG LEU 13 HG LEU 13 1.290 -3.401 -12.962 96 HD11 LEU 13 1HD1 LEU 13 2.593 -2.664 -14.921 97 HD12 LEU 13 2HD1 LEU 13 1.688 -3.781 -15.946 98 HD13 LEU 13 3HD1 LEU 13 2.735 -4.403 -14.667 99 HD21 LEU 13 3HD2 LEU 13 -0.467 -2.485 -15.271 100 HD22 LEU 13 1HD2 LEU 13 0.572 -1.436 -14.298 101 HD23 LEU 13 2HD2 LEU 13 -0.800 -2.251 -13.555 102 H GLU 14 H GLU 14 -3.248 -5.505 -13.411 103 HA GLU 14 HA GLU 14 -4.014 -2.779 -13.050 104 HB2 GLU 14 2HB GLU 14 -5.893 -5.172 -13.138 105 HB3 GLU 14 3HB GLU 14 -6.327 -3.489 -13.419 106 HG2 GLU 14 2HG GLU 14 -4.639 -5.271 -15.187 107 HG3 GLU 14 3HG GLU 14 -6.267 -4.686 -15.505 108 H ALA 15 H ALA 15 -4.544 -5.721 -11.127 109 HA ALA 15 HA ALA 15 -6.136 -4.631 -9.073 110 HB1 ALA 15 3HB ALA 15 -5.550 -6.714 -7.870 111 HB2 ALA 15 1HB ALA 15 -4.309 -7.055 -9.077 112 HB3 ALA 15 2HB ALA 15 -6.013 -7.023 -9.544 113 H LEU 16 H LEU 16 -2.637 -4.835 -9.538 114 HA LEU 16 HA LEU 16 -1.764 -4.012 -6.982 115 HB2 LEU 16 2HB LEU 16 -0.440 -3.559 -9.686 116 HB3 LEU 16 3HB LEU 16 0.354 -3.361 -8.133 117 HG LEU 16 HG LEU 16 -0.639 -5.980 -9.328 118 HD11 LEU 16 1HD1 LEU 16 1.722 -6.593 -9.441 119 HD12 LEU 16 2HD1 LEU 16 2.180 -5.006 -8.815 120 HD13 LEU 16 3HD1 LEU 16 1.393 -5.143 -10.391 121 HD21 LEU 16 3HD2 LEU 16 0.745 -5.526 -6.663 122 HD22 LEU 16 1HD2 LEU 16 0.383 -7.098 -7.387 123 HD23 LEU 16 2HD2 LEU 16 -0.930 -6.033 -6.895 124 H GLU 17 H GLU 17 -2.604 -2.181 -9.940 125 HA GLU 17 HA GLU 17 -1.883 0.395 -8.952 126 HB2 GLU 17 2HB GLU 17 -3.698 -0.394 -11.257 127 HB3 GLU 17 3HB GLU 17 -3.204 1.263 -10.911 128 HG2 GLU 17 2HG GLU 17 -0.821 0.590 -11.235 129 HG3 GLU 17 3HG GLU 17 -1.366 -1.028 -11.686 130 H LYS 18 H LYS 18 -4.940 -1.417 -8.888 131 HA LYS 18 HA LYS 18 -6.559 0.756 -7.983 132 HB2 LYS 18 2HB LYS 18 -6.943 -2.234 -8.084 133 HB3 LYS 18 3HB LYS 18 -8.024 -1.289 -7.073 134 HG2 LYS 18 2HG LYS 18 -9.161 -1.527 -9.108 135 HG3 LYS 18 3HG LYS 18 -8.541 0.121 -9.122 136 HD2 LYS 18 2HD LYS 18 -6.677 -0.624 -10.614 137 HD3 LYS 18 3HD LYS 18 -7.339 -2.259 -10.586 138 HE2 LYS 18 2HE LYS 18 -8.722 0.204 -11.698 139 HE3 LYS 18 3HE LYS 18 -7.984 -1.094 -12.640 140 HZ1 LYS 18 3HZ LYS 18 -9.595 -2.635 -11.703 141 HZ2 LYS 18 1HZ LYS 18 -10.371 -1.365 -12.505 142 HZ3 LYS 18 2HZ LYS 18 -10.314 -1.390 -10.814 143 H ALA 19 H ALA 19 -4.865 -1.895 -6.295 144 HA ALA 19 HA ALA 19 -5.408 -1.153 -3.641 145 HB1 ALA 19 3HB ALA 19 -4.388 -3.307 -4.252 146 HB2 ALA 19 1HB ALA 19 -3.407 -2.456 -3.051 147 HB3 ALA 19 2HB ALA 19 -2.911 -2.478 -4.746 148 H LEU 20 H LEU 20 -2.803 -0.189 -5.829 149 HA LEU 20 HA LEU 20 -1.257 1.499 -4.286 150 HB2 LEU 20 2HB LEU 20 -0.618 0.807 -6.532 151 HB3 LEU 20 3HB LEU 20 -1.991 1.640 -7.225 152 HG LEU 20 HG LEU 20 -0.986 3.834 -6.627 153 HD11 LEU 20 1HD1 LEU 20 1.318 3.986 -5.831 154 HD12 LEU 20 2HD1 LEU 20 1.385 2.230 -5.646 155 HD13 LEU 20 3HD1 LEU 20 0.280 3.187 -4.653 156 HD21 LEU 20 3HD2 LEU 20 0.873 2.059 -8.234 157 HD22 LEU 20 1HD2 LEU 20 0.825 3.825 -8.273 158 HD23 LEU 20 2HD2 LEU 20 -0.557 2.895 -8.846 159 H LYS 21 H LYS 21 -4.142 2.345 -6.229 160 HA LYS 21 HA LYS 21 -4.112 5.126 -5.806 161 HB2 LYS 21 2HB LYS 21 -5.316 4.060 -7.639 162 HB3 LYS 21 3HB LYS 21 -6.375 3.224 -6.522 163 HG2 LYS 21 2HG LYS 21 -6.417 6.217 -6.381 164 HG3 LYS 21 3HG LYS 21 -7.056 5.504 -7.858 165 HD2 LYS 21 2HD LYS 21 -8.031 4.937 -5.022 166 HD3 LYS 21 3HD LYS 21 -8.859 5.918 -6.232 167 HE2 LYS 21 2HE LYS 21 -9.053 3.871 -7.675 168 HE3 LYS 21 3HE LYS 21 -8.348 2.925 -6.364 169 HZ1 LYS 21 3HZ LYS 21 -10.919 4.398 -6.339 170 HZ2 LYS 21 1HZ LYS 21 -10.227 3.697 -4.964 171 HZ3 LYS 21 2HZ LYS 21 -10.692 2.725 -6.264 172 H GLU 22 H GLU 22 -5.644 2.499 -4.020 173 HA GLU 22 HA GLU 22 -7.060 4.066 -2.127 174 HB2 GLU 22 2HB GLU 22 -5.970 1.241 -1.880 175 HB3 GLU 22 3HB GLU 22 -7.163 1.959 -0.803 176 HG2 GLU 22 2HG GLU 22 -7.602 1.555 -3.778 177 HG3 GLU 22 3HG GLU 22 -8.071 0.381 -2.553 178 H MET 23 H MET 23 -3.830 2.513 -2.023 179 HA MET 23 HA MET 23 -3.083 3.255 0.597 180 HB2 MET 23 2HB MET 23 -1.365 2.656 -1.838 181 HB3 MET 23 3HB MET 23 -0.739 2.773 -0.199 182 HG2 MET 23 2HG MET 23 -2.913 0.781 -0.743 183 HG3 MET 23 3HG MET 23 -1.294 0.434 -1.325 184 HE1 MET 23 3HE MET 23 -2.441 0.759 3.146 185 HE2 MET 23 1HE MET 23 -3.620 0.736 1.834 186 HE3 MET 23 2HE MET 23 -2.586 2.148 2.070 187 H ILE 24 H ILE 24 -2.709 4.925 -2.497 188 HA ILE 24 HA ILE 24 -1.051 7.057 -1.629 189 HB ILE 24 HB ILE 24 -2.960 6.836 -4.000 190 HG12 ILE 24 2HG1 ILE 24 0.089 6.733 -3.853 191 HG13 ILE 24 3HG1 ILE 24 -0.978 5.367 -4.145 192 HG21 ILE 24 1HG2 ILE 24 -2.794 9.215 -3.425 193 HG22 ILE 24 2HG2 ILE 24 -1.944 8.891 -4.934 194 HG23 ILE 24 3HG2 ILE 24 -1.032 9.116 -3.441 195 HD11 ILE 24 3HD1 ILE 24 -1.661 6.372 -6.288 196 HD12 ILE 24 1HD1 ILE 24 0.076 6.081 -6.197 197 HD13 ILE 24 2HD1 ILE 24 -0.552 7.716 -6.001 198 H ARG 25 H ARG 25 -4.598 6.688 -1.973 199 HA ARG 25 HA ARG 25 -5.419 9.228 -1.131 200 HB2 ARG 25 2HB ARG 25 -6.962 7.623 -2.191 201 HB3 ARG 25 3HB ARG 25 -6.846 6.557 -0.792 202 HG2 ARG 25 2HG ARG 25 -7.913 8.307 0.620 203 HG3 ARG 25 3HG ARG 25 -8.033 9.360 -0.791 204 HD2 ARG 25 2HD ARG 25 -9.506 7.701 -1.886 205 HD3 ARG 25 3HD ARG 25 -9.403 6.675 -0.451 206 HE ARG 25 HE ARG 25 -10.384 8.689 0.751 207 HH11 ARG 25 1HH1 ARG 25 -11.178 7.957 -2.597 208 HH12 ARG 25 2HH1 ARG 25 -12.735 8.722 -2.515 209 HH21 ARG 25 1HH2 ARG 25 -12.428 9.658 0.855 210 HH22 ARG 25 2HH2 ARG 25 -13.438 9.683 -0.555 211 H GLN 26 H GLN 26 -4.747 6.273 0.741 212 HA GLN 26 HA GLN 26 -5.480 7.236 3.285 213 HB2 GLN 26 2HB GLN 26 -3.425 5.102 2.581 214 HB3 GLN 26 3HB GLN 26 -4.076 5.387 4.192 215 HG2 GLN 26 2HG GLN 26 -5.624 4.422 1.770 216 HG3 GLN 26 3HG GLN 26 -5.153 3.459 3.167 217 HE21 GLN 26 1HE2 GLN 26 -7.828 4.058 2.023 218 HE22 GLN 26 2HE2 GLN 26 -8.746 4.710 3.331 219 H ALA 27 H ALA 27 -2.300 7.110 1.666 220 HA ALA 27 HA ALA 27 -0.718 8.275 3.661 221 HB1 ALA 27 3HB ALA 27 0.898 8.697 1.854 222 HB2 ALA 27 1HB ALA 27 -0.356 8.400 0.650 223 HB3 ALA 27 2HB ALA 27 0.185 7.090 1.705 224 H ARG 28 H ARG 28 -2.718 9.782 1.155 225 HA ARG 28 HA ARG 28 -1.693 12.449 1.531 226 HB2 ARG 28 2HB ARG 28 -4.116 11.447 -0.020 227 HB3 ARG 28 3HB ARG 28 -3.547 13.116 -0.032 228 HG2 ARG 28 2HG ARG 28 -1.374 12.343 -0.996 229 HG3 ARG 28 3HG ARG 28 -2.013 10.696 -1.057 230 HD2 ARG 28 2HD ARG 28 -3.139 13.101 -2.529 231 HD3 ARG 28 3HD ARG 28 -2.179 11.808 -3.250 232 HE ARG 28 HE ARG 28 -4.143 10.336 -2.373 233 HH11 ARG 28 1HH1 ARG 28 -4.475 13.556 -3.763 234 HH12 ARG 28 2HH1 ARG 28 -6.068 13.263 -4.377 235 HH21 ARG 28 1HH2 ARG 28 -6.237 9.964 -3.219 236 HH22 ARG 28 2HH2 ARG 28 -7.061 11.230 -4.067 237 H LYS 29 H LYS 29 -4.610 10.678 2.615 238 HA LYS 29 HA LYS 29 -5.904 12.987 3.752 239 HB2 LYS 29 2HB LYS 29 -7.539 11.443 4.698 240 HB3 LYS 29 3HB LYS 29 -7.203 10.982 3.034 241 HG2 LYS 29 2HG LYS 29 -5.812 9.134 3.767 242 HG3 LYS 29 3HG LYS 29 -5.964 9.624 5.453 243 HD2 LYS 29 2HD LYS 29 -8.277 8.708 3.698 244 HD3 LYS 29 3HD LYS 29 -7.406 7.674 4.831 245 HE2 LYS 29 2HE LYS 29 -8.122 9.141 6.702 246 HE3 LYS 29 3HE LYS 29 -9.020 10.147 5.564 247 HZ1 LYS 29 3HZ LYS 29 -9.539 7.271 6.103 248 HZ2 LYS 29 1HZ LYS 29 -10.404 8.255 5.029 249 HZ3 LYS 29 2HZ LYS 29 -10.454 8.569 6.687 250 H PHE 30 H PHE 30 -3.593 10.623 4.883 251 HA PHE 30 HA PHE 30 -3.673 11.524 7.666 252 HB2 PHE 30 2HB PHE 30 -1.826 9.525 6.282 253 HB3 PHE 30 3HB PHE 30 -1.848 9.845 8.013 254 HD1 PHE 30 HD1 PHE 30 -4.887 9.926 8.410 255 HD2 PHE 30 HD2 PHE 30 -2.377 7.199 6.271 256 HE1 PHE 30 HE1 PHE 30 -6.527 8.129 8.742 257 HE2 PHE 30 HE2 PHE 30 -4.028 5.413 6.607 258 HZ PHE 30 HZ PHE 30 -6.101 5.872 7.850 259 H ALA 31 H ALA 31 -2.528 12.916 4.962 260 HA ALA 31 HA ALA 31 -0.994 14.435 4.375 261 HB1 ALA 31 3HB ALA 31 -2.042 15.693 6.210 262 HB2 ALA 31 1HB ALA 31 -0.334 16.106 6.043 263 HB3 ALA 31 2HB ALA 31 -0.864 15.037 7.345 264 H GLY 32 H GLY 32 0.227 12.508 3.802 265 HA2 GLY 32 2HA GLY 32 2.958 12.542 4.940 266 HA3 GLY 32 3HA GLY 32 2.107 11.010 4.737 267 H THR 33 H THR 33 4.420 11.220 3.443 268 HA THR 33 HA THR 33 3.984 12.181 0.698 269 HB THR 33 HB THR 33 6.551 11.364 2.156 270 HG1 THR 33 HG1 THR 33 5.209 13.788 1.732 271 HG21 THR 33 3HG2 THR 33 6.743 10.993 -0.298 272 HG22 THR 33 1HG2 THR 33 7.754 12.342 0.230 273 HG23 THR 33 2HG2 THR 33 6.221 12.654 -0.583 274 H VAL 34 H VAL 34 4.107 10.683 -1.019 275 HA VAL 34 HA VAL 34 4.405 7.839 -0.418 276 HB VAL 34 HB VAL 34 1.992 8.256 -0.229 277 HG11 VAL 34 1HG1 VAL 34 2.066 9.403 -3.041 278 HG12 VAL 34 2HG1 VAL 34 1.771 10.307 -1.555 279 HG13 VAL 34 3HG1 VAL 34 0.607 9.093 -2.092 280 HG21 VAL 34 3HG2 VAL 34 2.669 6.106 -1.197 281 HG22 VAL 34 1HG2 VAL 34 2.625 6.800 -2.820 282 HG23 VAL 34 2HG2 VAL 34 1.134 6.639 -1.887 283 H THR 35 H THR 35 5.504 6.824 -1.934 284 HA THR 35 HA THR 35 5.694 7.796 -4.710 285 HB THR 35 HB THR 35 8.078 6.902 -2.998 286 HG1 THR 35 HG1 THR 35 7.056 9.425 -3.724 287 HG21 THR 35 3HG2 THR 35 8.043 7.963 -5.852 288 HG22 THR 35 1HG2 THR 35 8.398 6.297 -5.379 289 HG23 THR 35 2HG2 THR 35 9.488 7.602 -4.909 290 H TYR 36 H TYR 36 6.275 5.924 -6.184 291 HA TYR 36 HA TYR 36 5.922 3.247 -5.062 292 HB2 TYR 36 2HB TYR 36 3.947 2.737 -6.494 293 HB3 TYR 36 3HB TYR 36 3.604 3.966 -5.288 294 HD1 TYR 36 HD2 TYR 36 3.219 6.339 -5.967 295 HD2 TYR 36 HD1 TYR 36 3.900 3.287 -8.902 296 HE1 TYR 36 HE2 TYR 36 2.391 7.842 -7.726 297 HE2 TYR 36 HE1 TYR 36 3.075 4.796 -10.655 298 HH TYR 36 HH TYR 36 2.657 8.123 -10.179 299 H THR 37 H THR 37 6.494 1.598 -6.438 300 HA THR 37 HA THR 37 7.620 2.289 -9.092 301 HB THR 37 HB THR 37 8.666 0.157 -7.167 302 HG1 THR 37 HG1 THR 37 10.371 1.580 -6.784 303 HG21 THR 37 3HG2 THR 37 9.105 -0.384 -9.548 304 HG22 THR 37 1HG2 THR 37 10.602 0.019 -8.702 305 HG23 THR 37 2HG2 THR 37 9.847 1.201 -9.773 306 H LEU 38 H LEU 38 6.111 1.490 -10.516 307 HA LEU 38 HA LEU 38 4.866 -1.142 -10.129 308 HB2 LEU 38 2HB LEU 38 4.592 0.978 -12.296 309 HB3 LEU 38 3HB LEU 38 3.799 -0.587 -12.395 310 HG LEU 38 HG LEU 38 3.299 1.439 -10.170 311 HD11 LEU 38 1HD1 LEU 38 1.603 0.835 -12.602 312 HD12 LEU 38 2HD1 LEU 38 2.499 2.325 -12.290 313 HD13 LEU 38 3HD1 LEU 38 1.150 1.878 -11.249 314 HD21 LEU 38 3HD2 LEU 38 1.835 -1.132 -10.867 315 HD22 LEU 38 1HD2 LEU 38 1.373 0.024 -9.610 316 HD23 LEU 38 2HD2 LEU 38 2.881 -0.872 -9.465 317 H ASP 39 H ASP 39 6.039 -2.854 -10.673 318 HA ASP 39 HA ASP 39 7.689 -2.887 -13.120 319 HB2 ASP 39 2HB ASP 39 9.225 -2.514 -11.194 320 HB3 ASP 39 3HB ASP 39 8.560 -3.924 -10.376 321 H GLY 40 H GLY 40 6.024 -3.989 -14.103 322 HA2 GLY 40 2HA GLY 40 4.868 -5.769 -14.901 323 HA3 GLY 40 3HA GLY 40 6.097 -6.767 -14.151 324 H ASN 41 H ASN 41 5.555 -7.962 -12.398 325 HA ASN 41 HA ASN 41 2.751 -7.912 -11.452 326 HB2 ASN 41 2HB ASN 41 4.839 -10.131 -11.570 327 HB3 ASN 41 3HB ASN 41 3.311 -10.313 -10.713 328 HD21 ASN 41 1HD2 ASN 41 1.733 -8.810 -12.670 329 HD22 ASN 41 2HD2 ASN 41 1.595 -9.839 -14.043 330 H ASP 42 H ASP 42 4.983 -6.193 -10.475 331 HA ASP 42 HA ASP 42 4.689 -6.747 -7.600 332 HB2 ASP 42 2HB ASP 42 6.815 -7.827 -8.173 333 HB3 ASP 42 3HB ASP 42 7.371 -6.377 -9.006 334 H LEU 43 H LEU 43 4.567 -4.942 -6.404 335 HA LEU 43 HA LEU 43 5.121 -2.272 -7.522 336 HB2 LEU 43 2HB LEU 43 2.760 -2.508 -7.805 337 HB3 LEU 43 3HB LEU 43 2.572 -3.328 -6.265 338 HG LEU 43 HG LEU 43 2.986 -1.185 -5.059 339 HD11 LEU 43 1HD1 LEU 43 4.408 -0.013 -6.649 340 HD12 LEU 43 2HD1 LEU 43 3.007 0.965 -6.223 341 HD13 LEU 43 3HD1 LEU 43 3.063 0.136 -7.779 342 HD21 LEU 43 3HD2 LEU 43 0.771 -1.025 -7.106 343 HD22 LEU 43 1HD2 LEU 43 0.855 -0.129 -5.586 344 HD23 LEU 43 2HD2 LEU 43 0.713 -1.884 -5.564 345 H GLU 44 H GLU 44 6.533 -1.273 -6.170 346 HA GLU 44 HA GLU 44 6.458 -1.844 -3.258 347 HB2 GLU 44 2HB GLU 44 8.642 -2.248 -4.319 348 HB3 GLU 44 3HB GLU 44 8.660 -0.606 -4.958 349 HG2 GLU 44 2HG GLU 44 8.660 0.260 -2.593 350 HG3 GLU 44 3HG GLU 44 8.772 -1.405 -2.026 351 H ILE 45 H ILE 45 5.096 -0.430 -2.296 352 HA ILE 45 HA ILE 45 5.043 2.430 -3.041 353 HB ILE 45 HB ILE 45 3.285 0.974 -1.011 354 HG12 ILE 45 2HG1 ILE 45 2.608 1.649 -3.908 355 HG13 ILE 45 3HG1 ILE 45 3.004 0.040 -3.317 356 HG21 ILE 45 1HG2 ILE 45 1.781 2.931 -1.219 357 HG22 ILE 45 2HG2 ILE 45 2.922 3.689 -2.331 358 HG23 ILE 45 3HG2 ILE 45 3.383 3.410 -0.651 359 HD11 ILE 45 3HD1 ILE 45 0.626 0.293 -3.606 360 HD12 ILE 45 1HD1 ILE 45 0.599 1.679 -2.516 361 HD13 ILE 45 2HD1 ILE 45 1.006 0.074 -1.899 362 H ARG 46 H ARG 46 6.198 3.835 -1.854 363 HA ARG 46 HA ARG 46 7.275 3.092 0.796 364 HB2 ARG 46 2HB ARG 46 8.518 4.938 -1.302 365 HB3 ARG 46 3HB ARG 46 9.269 4.396 0.201 366 HG2 ARG 46 2HG ARG 46 9.406 2.112 -0.616 367 HG3 ARG 46 3HG ARG 46 8.453 2.515 -2.043 368 HD2 ARG 46 2HD ARG 46 10.670 2.390 -2.811 369 HD3 ARG 46 3HD ARG 46 10.338 4.113 -2.670 370 HE ARG 46 HE ARG 46 11.570 3.996 -0.493 371 HH11 ARG 46 1HH1 ARG 46 12.256 1.642 -3.026 372 HH12 ARG 46 2HH1 ARG 46 13.879 1.360 -2.491 373 HH21 ARG 46 1HH2 ARG 46 13.723 3.612 0.187 374 HH22 ARG 46 2HH2 ARG 46 14.709 2.474 -0.674 375 H ILE 47 H ILE 47 6.016 4.128 2.233 376 HA ILE 47 HA ILE 47 5.109 6.921 1.762 377 HB ILE 47 HB ILE 47 3.888 4.818 3.624 378 HG12 ILE 47 2HG1 ILE 47 2.807 5.893 0.976 379 HG13 ILE 47 3HG1 ILE 47 3.503 4.296 1.211 380 HG21 ILE 47 1HG2 ILE 47 2.040 6.435 3.956 381 HG22 ILE 47 2HG2 ILE 47 2.888 7.614 2.953 382 HG23 ILE 47 3HG2 ILE 47 3.582 7.106 4.494 383 HD11 ILE 47 3HD1 ILE 47 0.944 5.320 2.455 384 HD12 ILE 47 1HD1 ILE 47 1.660 3.728 2.737 385 HD13 ILE 47 2HD1 ILE 47 1.098 4.170 1.126 386 H THR 48 H THR 48 6.117 8.418 3.011 387 HA THR 48 HA THR 48 7.176 7.668 5.692 388 HB THR 48 HB THR 48 8.521 9.694 3.842 389 HG1 THR 48 HG1 THR 48 8.673 6.933 3.815 390 HG21 THR 48 3HG2 THR 48 9.071 9.913 6.263 391 HG22 THR 48 1HG2 THR 48 10.477 9.408 5.319 392 HG23 THR 48 2HG2 THR 48 9.591 8.228 6.285 393 H GLY 49 H GLY 49 7.184 9.480 7.236 394 HA2 GLY 49 2HA GLY 49 6.556 11.578 8.061 395 HA3 GLY 49 3HA GLY 49 5.765 11.947 6.537 396 H VAL 50 H VAL 50 4.803 8.910 7.526 397 HA VAL 50 HA VAL 50 2.489 9.882 9.080 398 HB VAL 50 HB VAL 50 1.535 7.555 8.701 399 HG11 VAL 50 1HG1 VAL 50 0.811 9.434 7.292 400 HG12 VAL 50 2HG1 VAL 50 0.855 7.939 6.354 401 HG13 VAL 50 3HG1 VAL 50 2.144 9.131 6.173 402 HG21 VAL 50 3HG2 VAL 50 3.838 7.220 6.730 403 HG22 VAL 50 1HG2 VAL 50 2.476 6.112 6.926 404 HG23 VAL 50 2HG2 VAL 50 3.639 6.322 8.235 405 HA PRO 51 HA PRO 51 4.802 8.411 12.667 406 HB2 PRO 51 2HB PRO 51 2.867 8.671 14.609 407 HB3 PRO 51 3HB PRO 51 3.685 10.070 13.883 408 HG2 PRO 51 2HG PRO 51 0.979 8.937 13.247 409 HG3 PRO 51 3HG PRO 51 1.470 10.639 13.422 410 HD2 PRO 51 2HD PRO 51 1.174 9.422 10.980 411 HD3 PRO 51 3HD PRO 51 2.319 10.753 11.251 412 H GLU 52 H GLU 52 4.644 6.685 14.386 413 HA GLU 52 HA GLU 52 4.359 4.235 13.085 414 HB2 GLU 52 2HB GLU 52 5.969 4.599 14.871 415 HB3 GLU 52 3HB GLU 52 4.676 4.799 16.050 416 HG2 GLU 52 2HG GLU 52 4.062 2.470 15.905 417 HG3 GLU 52 3HG GLU 52 5.105 2.215 14.505 418 H GLN 53 H GLN 53 2.197 5.771 15.414 419 HA GLN 53 HA GLN 53 0.312 3.766 15.819 420 HB2 GLN 53 2HB GLN 53 -1.275 5.662 16.309 421 HB3 GLN 53 3HB GLN 53 0.261 5.766 17.159 422 HG2 GLN 53 2HG GLN 53 1.052 7.526 15.731 423 HG3 GLN 53 3HG GLN 53 -0.269 7.302 14.590 424 HE21 GLN 53 1HE2 GLN 53 -2.334 8.088 15.134 425 HE22 GLN 53 2HE2 GLN 53 -2.564 9.256 16.380 426 H VAL 54 H VAL 54 0.557 6.116 13.187 427 HA VAL 54 HA VAL 54 -1.887 5.328 11.873 428 HB VAL 54 HB VAL 54 0.343 7.264 11.119 429 HG11 VAL 54 1HG1 VAL 54 -1.140 8.122 9.336 430 HG12 VAL 54 2HG1 VAL 54 -2.281 6.816 9.665 431 HG13 VAL 54 3HG1 VAL 54 -0.672 6.447 9.042 432 HG21 VAL 54 3HG2 VAL 54 -2.495 7.776 12.087 433 HG22 VAL 54 1HG2 VAL 54 -1.338 9.023 11.608 434 HG23 VAL 54 2HG2 VAL 54 -1.018 8.020 13.025 435 H ARG 55 H ARG 55 1.585 4.608 11.549 436 HA ARG 55 HA ARG 55 1.568 3.396 8.996 437 HB2 ARG 55 2HB ARG 55 3.332 2.718 11.383 438 HB3 ARG 55 3HB ARG 55 3.616 2.191 9.727 439 HG2 ARG 55 2HG ARG 55 3.831 4.630 9.088 440 HG3 ARG 55 3HG ARG 55 3.787 5.014 10.813 441 HD2 ARG 55 2HD ARG 55 5.858 3.344 9.346 442 HD3 ARG 55 3HD ARG 55 6.106 4.913 10.117 443 HE ARG 55 HE ARG 55 5.254 3.277 12.148 444 HH11 ARG 55 1HH1 ARG 55 7.922 3.133 9.893 445 HH12 ARG 55 2HH1 ARG 55 8.956 2.264 10.967 446 HH21 ARG 55 1HH2 ARG 55 6.616 2.119 13.569 447 HH22 ARG 55 2HH2 ARG 55 8.210 1.686 13.061 448 H LYS 56 H LYS 56 0.841 2.145 12.229 449 HA LYS 56 HA LYS 56 0.421 -0.565 11.593 450 HB2 LYS 56 2HB LYS 56 -0.854 1.155 13.748 451 HB3 LYS 56 3HB LYS 56 -0.985 -0.604 13.678 452 HG2 LYS 56 2HG LYS 56 1.469 -0.796 13.920 453 HG3 LYS 56 3HG LYS 56 1.597 0.966 13.989 454 HD2 LYS 56 2HD LYS 56 0.193 0.960 16.058 455 HD3 LYS 56 3HD LYS 56 0.134 -0.805 15.994 456 HE2 LYS 56 2HE LYS 56 2.573 -0.905 16.294 457 HE3 LYS 56 3HE LYS 56 2.657 0.858 16.306 458 HZ1 LYS 56 3HZ LYS 56 1.303 -0.869 18.306 459 HZ2 LYS 56 1HZ LYS 56 1.223 0.820 18.289 460 HZ3 LYS 56 2HZ LYS 56 2.705 0.049 18.534 461 H GLU 57 H GLU 57 -1.739 2.260 11.355 462 HA GLU 57 HA GLU 57 -4.131 0.867 10.684 463 HB2 GLU 57 2HB GLU 57 -3.328 3.716 9.952 464 HB3 GLU 57 3HB GLU 57 -4.961 3.056 9.869 465 HG2 GLU 57 2HG GLU 57 -4.897 2.701 12.341 466 HG3 GLU 57 3HG GLU 57 -3.313 3.476 12.389 467 H LEU 58 H LEU 58 -1.528 2.315 8.710 468 HA LEU 58 HA LEU 58 -2.528 1.751 6.146 469 HB2 LEU 58 2HB LEU 58 0.238 2.225 7.241 470 HB3 LEU 58 3HB LEU 58 0.101 1.614 5.610 471 HG LEU 58 HG LEU 58 0.429 3.972 5.484 472 HD11 LEU 58 1HD1 LEU 58 -1.514 4.737 4.237 473 HD12 LEU 58 2HD1 LEU 58 -2.476 3.398 4.870 474 HD13 LEU 58 3HD1 LEU 58 -1.089 3.077 3.824 475 HD21 LEU 58 3HD2 LEU 58 -1.943 4.364 7.320 476 HD22 LEU 58 1HD2 LEU 58 -1.034 5.644 6.507 477 HD23 LEU 58 2HD2 LEU 58 -0.246 4.636 7.717 478 H ALA 59 H ALA 59 -0.924 -0.331 8.504 479 HA ALA 59 HA ALA 59 -0.378 -2.541 6.840 480 HB1 ALA 59 3HB ALA 59 0.600 -2.234 9.073 481 HB2 ALA 59 1HB ALA 59 -0.193 -3.806 8.923 482 HB3 ALA 59 2HB ALA 59 -0.982 -2.497 9.806 483 H LYS 60 H LYS 60 -3.261 -1.739 8.830 484 HA LYS 60 HA LYS 60 -4.710 -4.119 8.125 485 HB2 LYS 60 2HB LYS 60 -5.587 -1.508 9.404 486 HB3 LYS 60 3HB LYS 60 -6.756 -2.748 8.980 487 HG2 LYS 60 2HG LYS 60 -6.299 -3.013 11.298 488 HG3 LYS 60 3HG LYS 60 -5.478 -4.347 10.484 489 HD2 LYS 60 2HD LYS 60 -3.338 -3.112 10.640 490 HD3 LYS 60 3HD LYS 60 -4.166 -1.771 11.433 491 HE2 LYS 60 2HE LYS 60 -3.003 -3.115 13.086 492 HE3 LYS 60 3HE LYS 60 -4.744 -3.291 13.318 493 HZ1 LYS 60 3HZ LYS 60 -2.979 -5.229 11.916 494 HZ2 LYS 60 1HZ LYS 60 -4.645 -5.403 12.140 495 HZ3 LYS 60 2HZ LYS 60 -3.609 -5.416 13.471 496 H GLU 61 H GLU 61 -4.346 -0.938 6.671 497 HA GLU 61 HA GLU 61 -6.461 -1.163 4.768 498 HB2 GLU 61 2HB GLU 61 -3.961 0.571 4.754 499 HB3 GLU 61 3HB GLU 61 -5.286 0.731 3.605 500 HG2 GLU 61 2HG GLU 61 -5.425 1.203 6.599 501 HG3 GLU 61 3HG GLU 61 -5.440 2.439 5.343 502 H ALA 62 H ALA 62 -2.952 -1.798 4.680 503 HA ALA 62 HA ALA 62 -2.619 -2.685 2.071 504 HB1 ALA 62 3HB ALA 62 -0.771 -2.254 3.645 505 HB2 ALA 62 1HB ALA 62 -0.628 -3.856 2.914 506 HB3 ALA 62 2HB ALA 62 -1.217 -3.689 4.568 507 H GLU 63 H GLU 63 -3.564 -4.518 4.959 508 HA GLU 63 HA GLU 63 -3.786 -7.086 3.837 509 HB2 GLU 63 2HB GLU 63 -5.126 -5.871 6.274 510 HB3 GLU 63 3HB GLU 63 -5.181 -7.591 5.887 511 HG2 GLU 63 2HG GLU 63 -2.746 -7.762 6.128 512 HG3 GLU 63 3HG GLU 63 -2.632 -6.024 6.431 513 H ARG 64 H ARG 64 -6.265 -4.501 4.264 514 HA ARG 64 HA ARG 64 -8.453 -6.185 3.477 515 HB2 ARG 64 2HB ARG 64 -9.860 -4.202 3.496 516 HB3 ARG 64 3HB ARG 64 -8.818 -4.201 4.913 517 HG2 ARG 64 2HG ARG 64 -7.341 -2.564 3.835 518 HG3 ARG 64 3HG ARG 64 -8.373 -2.549 2.408 519 HD2 ARG 64 2HD ARG 64 -9.361 -1.782 5.169 520 HD3 ARG 64 3HD ARG 64 -8.637 -0.622 4.057 521 HE ARG 64 HE ARG 64 -11.051 -2.177 3.338 522 HH11 ARG 64 1HH1 ARG 64 -9.414 0.943 3.619 523 HH12 ARG 64 2HH1 ARG 64 -10.709 1.818 2.860 524 HH21 ARG 64 1HH2 ARG 64 -12.742 -0.993 2.388 525 HH22 ARG 64 2HH2 ARG 64 -12.586 0.717 2.169 526 H LEU 65 H LEU 65 -6.179 -4.155 1.728 527 HA LEU 65 HA LEU 65 -7.617 -4.232 -0.785 528 HB2 LEU 65 2HB LEU 65 -4.715 -3.523 -0.213 529 HB3 LEU 65 3HB LEU 65 -5.574 -3.201 -1.718 530 HG LEU 65 HG LEU 65 -6.236 -1.978 0.986 531 HD11 LEU 65 1HD1 LEU 65 -4.153 -1.111 0.108 532 HD12 LEU 65 2HD1 LEU 65 -5.416 0.115 0.071 533 HD13 LEU 65 3HD1 LEU 65 -4.941 -0.703 -1.420 534 HD21 LEU 65 3HD2 LEU 65 -8.262 -2.239 -0.336 535 HD22 LEU 65 1HD2 LEU 65 -7.499 -1.440 -1.715 536 HD23 LEU 65 2HD2 LEU 65 -7.813 -0.541 -0.228 537 H ALA 66 H ALA 66 -5.002 -6.059 0.726 538 HA ALA 66 HA ALA 66 -4.190 -7.663 -1.424 539 HB1 ALA 66 3HB ALA 66 -2.963 -7.479 0.696 540 HB2 ALA 66 1HB ALA 66 -3.291 -9.169 0.301 541 HB3 ALA 66 2HB ALA 66 -4.253 -8.344 1.531 542 H LYS 67 H LYS 67 -6.669 -8.265 1.079 543 HA LYS 67 HA LYS 67 -7.525 -10.784 -0.006 544 HB2 LYS 67 2HB LYS 67 -9.293 -10.695 1.697 545 HB3 LYS 67 3HB LYS 67 -7.736 -10.278 2.406 546 HG2 LYS 67 2HG LYS 67 -8.323 -7.888 2.332 547 HG3 LYS 67 3HG LYS 67 -9.873 -8.272 1.588 548 HD2 LYS 67 2HD LYS 67 -8.994 -9.148 4.372 549 HD3 LYS 67 3HD LYS 67 -10.058 -7.786 4.023 550 HE2 LYS 67 2HE LYS 67 -11.684 -9.377 2.980 551 HE3 LYS 67 3HE LYS 67 -10.639 -10.716 3.456 552 HZ1 LYS 67 3HZ LYS 67 -12.418 -10.411 5.032 553 HZ2 LYS 67 1HZ LYS 67 -11.972 -8.799 5.297 554 HZ3 LYS 67 2HZ LYS 67 -10.941 -10.053 5.768 555 H GLU 68 H GLU 68 -8.351 -7.447 -0.659 556 HA GLU 68 HA GLU 68 -11.012 -7.908 -1.661 557 HB2 GLU 68 2HB GLU 68 -10.246 -5.718 -0.722 558 HB3 GLU 68 3HB GLU 68 -9.151 -5.529 -2.086 559 HG2 GLU 68 2HG GLU 68 -11.152 -4.167 -2.406 560 HG3 GLU 68 3HG GLU 68 -11.081 -5.434 -3.630 561 H PHE 69 H PHE 69 -7.901 -7.122 -3.200 562 HA PHE 69 HA PHE 69 -8.979 -7.569 -5.887 563 HB2 PHE 69 2HB PHE 69 -6.233 -6.538 -5.041 564 HB3 PHE 69 3HB PHE 69 -6.897 -6.508 -6.674 565 HD1 PHE 69 HD1 PHE 69 -9.249 -5.246 -6.896 566 HD2 PHE 69 HD2 PHE 69 -6.416 -4.551 -3.758 567 HE1 PHE 69 HE1 PHE 69 -10.263 -3.055 -6.442 568 HE2 PHE 69 HE2 PHE 69 -7.442 -2.367 -3.318 569 HZ PHE 69 HZ PHE 69 -9.368 -1.616 -4.652 570 H ASN 70 H ASN 70 -7.701 -9.512 -3.590 571 HA ASN 70 HA ASN 70 -6.833 -11.572 -3.471 572 HB2 ASN 70 2HB ASN 70 -8.701 -12.031 -5.104 573 HB3 ASN 70 3HB ASN 70 -7.567 -11.796 -6.426 574 HD21 ASN 70 1HD2 ASN 70 -6.103 -13.449 -6.917 575 HD22 ASN 70 2HD2 ASN 70 -6.189 -15.025 -6.212 576 H ILE 71 H ILE 71 -5.048 -9.608 -3.648 577 HA ILE 71 HA ILE 71 -2.747 -10.788 -5.124 578 HB ILE 71 HB ILE 71 -1.717 -8.469 -5.053 579 HG12 ILE 71 2HG1 ILE 71 -4.523 -7.606 -4.181 580 HG13 ILE 71 3HG1 ILE 71 -3.045 -7.459 -3.240 581 HG21 ILE 71 1HG2 ILE 71 -4.295 -8.680 -6.642 582 HG22 ILE 71 2HG2 ILE 71 -2.720 -9.321 -7.116 583 HG23 ILE 71 3HG2 ILE 71 -2.956 -7.579 -6.985 584 HD11 ILE 71 3HD1 ILE 71 -3.689 -5.325 -4.125 585 HD12 ILE 71 1HD1 ILE 71 -3.700 -5.953 -5.773 586 HD13 ILE 71 2HD1 ILE 71 -2.181 -5.841 -4.876 587 H THR 72 H THR 72 -0.719 -10.625 -4.049 588 HA THR 72 HA THR 72 -0.958 -11.104 -1.185 589 HB THR 72 HB THR 72 1.584 -11.304 -2.857 590 HG1 THR 72 HG1 THR 72 -0.369 -13.341 -2.429 591 HG21 THR 72 3HG2 THR 72 0.670 -12.791 -0.379 592 HG22 THR 72 1HG2 THR 72 1.862 -11.488 -0.398 593 HG23 THR 72 2HG2 THR 72 2.209 -13.018 -1.210 594 H VAL 73 H VAL 73 0.266 -9.934 0.372 595 HA VAL 73 HA VAL 73 1.680 -7.499 -0.494 596 HB VAL 73 HB VAL 73 -0.689 -6.893 0.174 597 HG11 VAL 73 1HG1 VAL 73 0.137 -7.740 2.971 598 HG12 VAL 73 2HG1 VAL 73 -1.060 -8.549 1.959 599 HG13 VAL 73 3HG1 VAL 73 -1.362 -6.909 2.541 600 HG21 VAL 73 3HG2 VAL 73 1.486 -5.703 1.936 601 HG22 VAL 73 1HG2 VAL 73 -0.081 -4.961 1.595 602 HG23 VAL 73 2HG2 VAL 73 1.083 -5.199 0.293 603 H THR 74 H THR 74 3.302 -6.855 0.846 604 HA THR 74 HA THR 74 3.775 -8.147 3.426 605 HB THR 74 HB THR 74 5.175 -9.441 1.849 606 HG1 THR 74 HG1 THR 74 6.081 -9.156 3.854 607 HG21 THR 74 3HG2 THR 74 7.044 -8.417 0.588 608 HG22 THR 74 1HG2 THR 74 6.525 -6.812 1.114 609 HG23 THR 74 2HG2 THR 74 5.495 -7.765 0.047 610 H TYR 75 H TYR 75 4.453 -6.632 4.915 611 HA TYR 75 HA TYR 75 5.044 -3.902 3.970 612 HB2 TYR 75 2HB TYR 75 3.478 -2.946 5.638 613 HB3 TYR 75 3HB TYR 75 2.651 -3.903 4.422 614 HD1 TYR 75 HD1 TYR 75 3.618 -3.762 8.015 615 HD2 TYR 75 HD2 TYR 75 1.418 -5.944 5.054 616 HE1 TYR 75 HE1 TYR 75 2.490 -5.039 9.787 617 HE2 TYR 75 HE2 TYR 75 0.298 -7.212 6.831 618 HH TYR 75 HH TYR 75 0.718 -7.872 9.169 619 H THR 76 H THR 76 6.368 -2.695 5.274 620 HA THR 76 HA THR 76 7.640 -4.043 7.579 621 HB THR 76 HB THR 76 8.882 -1.995 5.685 622 HG1 THR 76 HG1 THR 76 8.548 -3.892 4.528 623 HG21 THR 76 3HG2 THR 76 9.959 -2.053 7.922 624 HG22 THR 76 1HG2 THR 76 11.034 -2.716 6.686 625 HG23 THR 76 2HG2 THR 76 10.167 -3.800 7.774 626 H ILE 77 H ILE 77 7.154 -3.026 9.464 627 HA ILE 77 HA ILE 77 7.286 -0.078 9.604 628 HB ILE 77 HB ILE 77 5.499 -0.230 11.485 629 HG12 ILE 77 2HG1 ILE 77 4.928 -2.924 10.148 630 HG13 ILE 77 3HG1 ILE 77 5.416 -2.674 11.819 631 HG21 ILE 77 1HG2 ILE 77 3.614 -0.016 9.932 632 HG22 ILE 77 2HG2 ILE 77 4.570 -0.762 8.648 633 HG23 ILE 77 3HG2 ILE 77 5.045 0.805 9.306 634 HD11 ILE 77 3HD1 ILE 77 2.778 -1.864 10.582 635 HD12 ILE 77 1HD1 ILE 77 3.269 -1.534 12.250 636 HD13 ILE 77 2HD1 ILE 77 3.076 -3.195 11.698 637 H ARG 78 H ARG 78 9.082 0.287 10.715 638 HA ARG 78 HA ARG 78 9.728 -1.200 13.164 639 HB2 ARG 78 2HB ARG 78 11.771 -0.819 10.918 640 HB3 ARG 78 3HB ARG 78 12.086 -1.521 12.504 641 HG2 ARG 78 2HG ARG 78 10.422 -3.365 11.881 642 HG3 ARG 78 3HG ARG 78 10.444 -2.712 10.241 643 HD2 ARG 78 2HD ARG 78 11.999 -4.556 10.338 644 HD3 ARG 78 3HD ARG 78 12.933 -3.059 10.212 645 HE ARG 78 HE ARG 78 12.457 -4.095 12.901 646 HH11 ARG 78 1HH1 ARG 78 14.762 -3.882 10.243 647 HH12 ARG 78 2HH1 ARG 78 16.124 -4.274 11.245 648 HH21 ARG 78 1HH2 ARG 78 14.252 -4.565 14.191 649 HH22 ARG 78 2HH2 ARG 78 15.830 -4.660 13.480 650 H GLY 79 H GLY 79 11.714 -0.184 14.172 651 HA2 GLY 79 2HA GLY 79 12.607 2.323 14.232 652 HA3 GLY 79 3HA GLY 79 10.925 2.576 14.711 653 H SER 80 H SER 80 10.939 -0.200 15.898 654 HA SER 80 HA SER 80 12.142 0.291 18.482 655 HB2 SER 80 2HB SER 80 10.721 -2.196 17.398 656 HB3 SER 80 3HB SER 80 11.106 -1.868 19.093 657 HG SER 80 HG SER 80 8.954 -1.358 18.573 658 H LEU 81 H LEU 81 14.138 0.348 16.550 659 HA LEU 81 HA LEU 81 15.626 -2.056 16.284 660 HB2 LEU 81 2HB LEU 81 16.659 0.810 16.387 661 HB3 LEU 81 3HB LEU 81 17.534 -0.571 15.741 662 HG LEU 81 HG LEU 81 14.986 0.620 14.550 663 HD11 LEU 81 1HD1 LEU 81 16.392 1.377 12.695 664 HD12 LEU 81 2HD1 LEU 81 17.834 0.798 13.535 665 HD13 LEU 81 3HD1 LEU 81 16.879 2.116 14.220 666 HD21 LEU 81 3HD2 LEU 81 16.740 -1.620 13.494 667 HD22 LEU 81 1HD2 LEU 81 15.370 -0.889 12.649 668 HD23 LEU 81 2HD2 LEU 81 15.105 -1.787 14.140 669 H GLU 82 H GLU 82 15.999 0.717 18.495 670 HA GLU 82 HA GLU 82 16.561 0.964 20.645 671 HB2 GLU 82 2HB GLU 82 15.495 -1.875 20.927 672 HB3 GLU 82 3HB GLU 82 15.734 -0.738 22.249 673 HG2 GLU 82 2HG GLU 82 13.765 -0.433 19.958 674 HG3 GLU 82 3HG GLU 82 13.371 -0.868 21.615 675 H HIS 83 H HIS 83 18.783 1.180 20.305 676 HA HIS 83 HA HIS 83 20.486 -1.107 21.128 677 HB2 HIS 83 2HB HIS 83 21.187 1.501 19.697 678 HB3 HIS 83 3HB HIS 83 22.382 0.344 20.262 679 HD1 HIS 83 HD1 HIS 83 23.033 -1.442 18.647 680 HD2 HIS 83 HD2 HIS 83 19.407 0.317 17.621 681 HE1 HIS 83 HE1 HIS 83 22.406 -2.410 16.418 682 HE2 HIS 83 HE2 HIS 83 20.254 -1.280 15.795 683 H HIS 84 H HIS 84 19.659 -0.837 23.298 684 HA HIS 84 HA HIS 84 21.206 1.004 24.934 685 HB2 HIS 84 2HB HIS 84 19.299 2.123 25.994 686 HB3 HIS 84 3HB HIS 84 19.242 2.411 24.260 687 HD1 HIS 84 HD1 HIS 84 17.402 0.744 27.043 688 HD2 HIS 84 HD2 HIS 84 17.035 1.198 22.940 689 HE1 HIS 84 HE1 HIS 84 15.078 -0.006 26.488 690 HE2 HIS 84 HE2 HIS 84 14.833 0.438 24.025 691 H HIS 85 H HIS 85 20.645 -1.970 24.528 692 HA HIS 85 HA HIS 85 19.542 -3.013 26.949 693 HB2 HIS 85 2HB HIS 85 19.920 -4.327 24.801 694 HB3 HIS 85 3HB HIS 85 21.639 -4.324 25.147 695 HD1 HIS 85 HD1 HIS 85 19.280 -6.698 25.045 696 HD2 HIS 85 HD2 HIS 85 21.612 -5.436 28.240 697 HE1 HIS 85 HE1 HIS 85 19.324 -8.614 26.653 698 HE2 HIS 85 HE2 HIS 85 20.579 -7.756 28.651 699 H HIS 86 H HIS 86 20.394 -1.752 28.578 700 HA HIS 86 HA HIS 86 23.201 -1.045 28.674 701 HB2 HIS 86 2HB HIS 86 21.286 0.573 29.027 702 HB3 HIS 86 3HB HIS 86 20.896 -0.265 30.523 703 HD1 HIS 86 HD1 HIS 86 23.490 1.963 28.962 704 HD2 HIS 86 HD2 HIS 86 22.467 0.497 32.707 705 HE1 HIS 86 HE1 HIS 86 24.860 3.275 30.598 706 HE2 HIS 86 HE2 HIS 86 24.066 2.497 32.856 707 H HIS 87 H HIS 87 24.696 -1.974 29.985 708 HA HIS 87 HA HIS 87 24.207 -4.266 31.579 709 HB2 HIS 87 2HB HIS 87 26.588 -2.356 31.566 710 HB3 HIS 87 3HB HIS 87 26.554 -3.853 32.489 711 HD1 HIS 87 HD1 HIS 87 27.804 -2.598 29.422 712 HD2 HIS 87 HD2 HIS 87 26.032 -6.171 30.584 713 HE1 HIS 87 HE1 HIS 87 28.494 -4.286 27.698 714 HE2 HIS 87 HE2 HIS 87 27.273 -6.387 28.339 715 H HIS 88 H HIS 88 23.723 -4.513 33.702 716 HA HIS 88 HA HIS 88 22.791 -2.338 35.292 717 HB2 HIS 88 2HB HIS 88 21.785 -4.544 35.564 718 HB3 HIS 88 3HB HIS 88 23.338 -5.249 36.008 719 HD1 HIS 88 HD1 HIS 88 24.160 -4.914 38.412 720 HD2 HIS 88 HD2 HIS 88 20.555 -2.994 37.641 721 HE1 HIS 88 HE1 HIS 88 23.274 -4.213 40.653 722 HE2 HIS 88 HE2 HIS 88 21.134 -3.000 40.154 Start of MODEL 20 1 H1 MET 1 1H MET 1 8.602 4.338 14.343 2 H2 MET 1 2H MET 1 8.550 5.508 15.558 3 H3 MET 1 3H MET 1 10.037 4.909 15.020 4 HA MET 1 HA MET 1 8.122 6.443 13.368 5 HB2 MET 1 2HB MET 1 9.145 7.828 15.167 6 HB3 MET 1 3HB MET 1 10.749 7.342 14.651 7 HG2 MET 1 2HG MET 1 10.452 8.536 12.534 8 HG3 MET 1 3HG MET 1 8.804 8.969 12.991 9 HE1 MET 1 3HE MET 1 9.406 11.449 15.984 10 HE2 MET 1 1HE MET 1 9.100 9.716 16.103 11 HE3 MET 1 2HE MET 1 8.198 10.697 14.944 12 H GLY 2 H GLY 2 8.826 6.845 11.227 13 HA2 GLY 2 2HA GLY 2 11.065 6.814 9.905 14 HA3 GLY 2 3HA GLY 2 10.961 5.085 10.213 15 H GLU 3 H GLU 3 11.038 5.018 7.850 16 HA GLU 3 HA GLU 3 8.566 5.669 6.420 17 HB2 GLU 3 2HB GLU 3 10.768 5.992 5.308 18 HB3 GLU 3 3HB GLU 3 11.132 4.281 5.495 19 HG2 GLU 3 2HG GLU 3 9.205 3.735 4.007 20 HG3 GLU 3 3HG GLU 3 8.916 5.461 3.776 21 H MET 4 H MET 4 7.167 4.086 5.548 22 HA MET 4 HA MET 4 7.480 1.287 6.484 23 HB2 MET 4 2HB MET 4 5.526 2.392 7.543 24 HB3 MET 4 3HB MET 4 4.893 2.845 5.961 25 HG2 MET 4 2HG MET 4 4.665 0.445 5.395 26 HG3 MET 4 3HG MET 4 5.245 0.026 7.011 27 HE1 MET 4 3HE MET 4 2.547 -1.158 5.974 28 HE2 MET 4 1HE MET 4 1.478 -0.867 7.345 29 HE3 MET 4 2HE MET 4 3.134 -1.407 7.621 30 H ASP 5 H ASP 5 8.195 0.109 4.729 31 HA ASP 5 HA ASP 5 7.329 0.658 2.024 32 HB2 ASP 5 2HB ASP 5 9.642 -0.175 2.664 33 HB3 ASP 5 3HB ASP 5 8.923 -1.706 3.152 34 H ILE 6 H ILE 6 5.419 -0.054 1.339 35 HA ILE 6 HA ILE 6 4.161 -2.520 2.398 36 HB ILE 6 HB ILE 6 2.775 -0.083 1.141 37 HG12 ILE 6 2HG1 ILE 6 2.848 -0.863 4.102 38 HG13 ILE 6 3HG1 ILE 6 3.821 0.419 3.392 39 HG21 ILE 6 1HG2 ILE 6 0.679 -1.143 1.943 40 HG22 ILE 6 2HG2 ILE 6 1.596 -2.531 2.532 41 HG23 ILE 6 3HG2 ILE 6 1.534 -2.183 0.802 42 HD11 ILE 6 3HD1 ILE 6 1.932 1.337 4.520 43 HD12 ILE 6 1HD1 ILE 6 0.827 0.339 3.578 44 HD13 ILE 6 2HD1 ILE 6 1.762 1.609 2.784 45 H ARG 7 H ARG 7 4.456 -4.080 0.884 46 HA ARG 7 HA ARG 7 4.658 -3.335 -1.979 47 HB2 ARG 7 2HB ARG 7 6.791 -4.145 -0.836 48 HB3 ARG 7 3HB ARG 7 6.022 -5.712 -0.615 49 HG2 ARG 7 2HG ARG 7 5.818 -5.945 -3.083 50 HG3 ARG 7 3HG ARG 7 6.598 -4.371 -3.287 51 HD2 ARG 7 2HD ARG 7 8.581 -5.380 -1.961 52 HD3 ARG 7 3HD ARG 7 7.810 -6.946 -2.250 53 HE ARG 7 HE ARG 7 7.920 -6.103 -4.735 54 HH11 ARG 7 1HH1 ARG 7 10.426 -5.662 -2.295 55 HH12 ARG 7 2HH1 ARG 7 11.717 -5.647 -3.453 56 HH21 ARG 7 1HH2 ARG 7 9.631 -6.099 -6.237 57 HH22 ARG 7 2HH2 ARG 7 11.267 -5.897 -5.684 58 H PHE 8 H PHE 8 3.239 -4.232 -3.278 59 HA PHE 8 HA PHE 8 1.580 -6.545 -2.427 60 HB2 PHE 8 2HB PHE 8 0.980 -4.294 -4.418 61 HB3 PHE 8 3HB PHE 8 -0.030 -5.722 -4.214 62 HD1 PHE 8 HD2 PHE 8 -1.348 -6.056 -2.123 63 HD2 PHE 8 HD1 PHE 8 0.916 -2.477 -2.760 64 HE1 PHE 8 HE2 PHE 8 -2.603 -4.938 -0.327 65 HE2 PHE 8 HE1 PHE 8 -0.345 -1.375 -0.952 66 HZ PHE 8 HZ PHE 8 -2.103 -2.603 0.263 67 H ARG 9 H ARG 9 1.135 -8.166 -4.130 68 HA ARG 9 HA ARG 9 2.805 -8.061 -6.557 69 HB2 ARG 9 2HB ARG 9 4.111 -9.190 -4.641 70 HB3 ARG 9 3HB ARG 9 2.912 -10.468 -4.679 71 HG2 ARG 9 2HG ARG 9 3.512 -10.979 -7.019 72 HG3 ARG 9 3HG ARG 9 4.725 -9.694 -6.988 73 HD2 ARG 9 2HD ARG 9 5.904 -10.897 -5.150 74 HD3 ARG 9 3HD ARG 9 4.712 -12.197 -5.265 75 HE ARG 9 HE ARG 9 6.187 -11.532 -7.696 76 HH11 ARG 9 1HH1 ARG 9 5.936 -13.703 -4.935 77 HH12 ARG 9 2HH1 ARG 9 6.912 -14.933 -5.670 78 HH21 ARG 9 1HH2 ARG 9 7.495 -13.128 -8.619 79 HH22 ARG 9 2HH2 ARG 9 7.800 -14.602 -7.757 80 H GLY 10 H GLY 10 1.697 -8.901 -8.266 81 HA2 GLY 10 2HA GLY 10 -0.373 -10.942 -7.943 82 HA3 GLY 10 3HA GLY 10 -0.935 -9.352 -8.460 83 H ASP 11 H ASP 11 -1.168 -11.743 -9.984 84 HA ASP 11 HA ASP 11 0.786 -11.707 -12.121 85 HB2 ASP 11 2HB ASP 11 -0.473 -13.779 -11.595 86 HB3 ASP 11 3HB ASP 11 -1.991 -12.980 -11.974 87 H ASP 12 H ASP 12 -1.956 -9.826 -11.258 88 HA ASP 12 HA ASP 12 -2.108 -8.568 -13.931 89 HB2 ASP 12 2HB ASP 12 -4.276 -9.450 -13.186 90 HB3 ASP 12 3HB ASP 12 -4.141 -8.605 -11.647 91 H LEU 13 H LEU 13 -0.838 -6.829 -14.004 92 HA LEU 13 HA LEU 13 0.220 -5.351 -11.872 93 HB2 LEU 13 2HB LEU 13 1.027 -5.562 -14.288 94 HB3 LEU 13 3HB LEU 13 -0.156 -4.354 -14.725 95 HG LEU 13 HG LEU 13 2.261 -3.561 -14.500 96 HD11 LEU 13 1HD1 LEU 13 1.769 -1.403 -13.477 97 HD12 LEU 13 2HD1 LEU 13 0.287 -2.052 -12.771 98 HD13 LEU 13 3HD1 LEU 13 0.445 -1.923 -14.522 99 HD21 LEU 13 3HD2 LEU 13 2.910 -4.820 -12.494 100 HD22 LEU 13 1HD2 LEU 13 1.790 -3.869 -11.513 101 HD23 LEU 13 2HD2 LEU 13 3.185 -3.095 -12.270 102 H GLU 14 H GLU 14 -2.901 -5.081 -13.406 103 HA GLU 14 HA GLU 14 -3.322 -2.298 -12.719 104 HB2 GLU 14 2HB GLU 14 -5.291 -4.374 -13.781 105 HB3 GLU 14 3HB GLU 14 -5.713 -2.703 -13.418 106 HG2 GLU 14 2HG GLU 14 -3.757 -2.106 -15.073 107 HG3 GLU 14 3HG GLU 14 -3.958 -3.765 -15.627 108 H ALA 15 H ALA 15 -4.172 -5.441 -11.245 109 HA ALA 15 HA ALA 15 -5.981 -4.487 -9.286 110 HB1 ALA 15 3HB ALA 15 -5.759 -6.877 -9.859 111 HB2 ALA 15 1HB ALA 15 -5.543 -6.621 -8.126 112 HB3 ALA 15 2HB ALA 15 -4.140 -6.902 -9.160 113 H LEU 16 H LEU 16 -2.512 -4.686 -9.460 114 HA LEU 16 HA LEU 16 -1.830 -3.901 -6.826 115 HB2 LEU 16 2HB LEU 16 -0.287 -3.369 -9.403 116 HB3 LEU 16 3HB LEU 16 0.378 -3.403 -7.776 117 HG LEU 16 HG LEU 16 -0.773 -5.821 -9.238 118 HD11 LEU 16 1HD1 LEU 16 1.323 -5.078 -10.260 119 HD12 LEU 16 2HD1 LEU 16 1.545 -6.611 -9.424 120 HD13 LEU 16 3HD1 LEU 16 2.128 -5.114 -8.689 121 HD21 LEU 16 3HD2 LEU 16 -1.058 -6.013 -6.812 122 HD22 LEU 16 1HD2 LEU 16 0.660 -5.684 -6.568 123 HD23 LEU 16 2HD2 LEU 16 0.146 -7.153 -7.398 124 H GLU 17 H GLU 17 -2.485 -2.077 -9.817 125 HA GLU 17 HA GLU 17 -1.946 0.533 -8.783 126 HB2 GLU 17 2HB GLU 17 -3.593 -0.290 -11.214 127 HB3 GLU 17 3HB GLU 17 -3.057 1.349 -10.857 128 HG2 GLU 17 2HG GLU 17 -0.707 0.647 -11.072 129 HG3 GLU 17 3HG GLU 17 -1.230 -1.005 -11.398 130 H LYS 18 H LYS 18 -4.844 -1.468 -8.692 131 HA LYS 18 HA LYS 18 -6.611 0.683 -7.895 132 HB2 LYS 18 2HB LYS 18 -6.903 -2.322 -8.003 133 HB3 LYS 18 3HB LYS 18 -8.054 -1.389 -7.061 134 HG2 LYS 18 2HG LYS 18 -9.018 -1.806 -9.215 135 HG3 LYS 18 3HG LYS 18 -8.635 -0.087 -9.121 136 HD2 LYS 18 2HD LYS 18 -6.602 -0.461 -10.465 137 HD3 LYS 18 3HD LYS 18 -6.947 -2.194 -10.506 138 HE2 LYS 18 2HE LYS 18 -8.765 -0.067 -11.688 139 HE3 LYS 18 3HE LYS 18 -7.565 -0.970 -12.613 140 HZ1 LYS 18 3HZ LYS 18 -8.726 -3.022 -11.929 141 HZ2 LYS 18 1HZ LYS 18 -9.680 -1.998 -12.877 142 HZ3 LYS 18 2HZ LYS 18 -9.929 -2.078 -11.212 143 H ALA 19 H ALA 19 -4.893 -1.964 -6.159 144 HA ALA 19 HA ALA 19 -5.480 -1.218 -3.515 145 HB1 ALA 19 3HB ALA 19 -2.894 -2.413 -4.596 146 HB2 ALA 19 1HB ALA 19 -4.320 -3.323 -4.092 147 HB3 ALA 19 2HB ALA 19 -3.391 -2.410 -2.902 148 H LEU 20 H LEU 20 -2.914 -0.192 -5.684 149 HA LEU 20 HA LEU 20 -1.423 1.587 -4.201 150 HB2 LEU 20 2HB LEU 20 -0.821 0.831 -6.459 151 HB3 LEU 20 3HB LEU 20 -2.179 1.702 -7.144 152 HG LEU 20 HG LEU 20 -1.133 3.849 -6.519 153 HD11 LEU 20 1HD1 LEU 20 1.165 3.939 -5.675 154 HD12 LEU 20 2HD1 LEU 20 1.188 2.183 -5.499 155 HD13 LEU 20 3HD1 LEU 20 0.087 3.159 -4.521 156 HD21 LEU 20 3HD2 LEU 20 -0.701 2.917 -8.749 157 HD22 LEU 20 1HD2 LEU 20 0.709 2.046 -8.133 158 HD23 LEU 20 2HD2 LEU 20 0.696 3.811 -8.161 159 H LYS 21 H LYS 21 -4.287 2.258 -6.193 160 HA LYS 21 HA LYS 21 -4.433 5.026 -6.000 161 HB2 LYS 21 2HB LYS 21 -5.837 3.475 -7.460 162 HB3 LYS 21 3HB LYS 21 -6.824 3.123 -6.048 163 HG2 LYS 21 2HG LYS 21 -7.309 5.633 -5.927 164 HG3 LYS 21 3HG LYS 21 -6.553 5.764 -7.516 165 HD2 LYS 21 2HD LYS 21 -9.081 4.270 -6.759 166 HD3 LYS 21 3HD LYS 21 -8.921 5.619 -7.880 167 HE2 LYS 21 2HE LYS 21 -7.934 2.775 -8.309 168 HE3 LYS 21 3HE LYS 21 -9.292 3.558 -9.113 169 HZ1 LYS 21 3HZ LYS 21 -6.421 4.258 -9.408 170 HZ2 LYS 21 1HZ LYS 21 -7.697 5.149 -10.072 171 HZ3 LYS 21 2HZ LYS 21 -7.428 3.560 -10.572 172 H GLU 22 H GLU 22 -5.559 2.527 -3.827 173 HA GLU 22 HA GLU 22 -6.979 4.292 -2.036 174 HB2 GLU 22 2HB GLU 22 -6.317 1.344 -1.728 175 HB3 GLU 22 3HB GLU 22 -7.476 2.258 -0.770 176 HG2 GLU 22 2HG GLU 22 -7.677 1.596 -3.715 177 HG3 GLU 22 3HG GLU 22 -8.633 0.896 -2.411 178 H MET 23 H MET 23 -3.842 2.483 -1.920 179 HA MET 23 HA MET 23 -3.207 3.262 0.727 180 HB2 MET 23 2HB MET 23 -1.301 2.481 -1.518 181 HB3 MET 23 3HB MET 23 -0.886 2.566 0.193 182 HG2 MET 23 2HG MET 23 -2.813 0.646 -1.116 183 HG3 MET 23 3HG MET 23 -1.240 0.263 -0.434 184 HE1 MET 23 3HE MET 23 -1.246 1.797 2.347 185 HE2 MET 23 1HE MET 23 -0.768 0.106 2.175 186 HE3 MET 23 2HE MET 23 -1.943 0.572 3.407 187 H ILE 24 H ILE 24 -2.686 4.821 -2.380 188 HA ILE 24 HA ILE 24 -1.126 7.037 -1.448 189 HB ILE 24 HB ILE 24 -2.890 6.732 -3.942 190 HG12 ILE 24 2HG1 ILE 24 0.147 6.624 -3.567 191 HG13 ILE 24 3HG1 ILE 24 -0.900 5.275 -3.987 192 HG21 ILE 24 1HG2 ILE 24 -1.844 8.794 -4.824 193 HG22 ILE 24 2HG2 ILE 24 -1.000 9.029 -3.293 194 HG23 ILE 24 3HG2 ILE 24 -2.761 9.122 -3.352 195 HD11 ILE 24 3HD1 ILE 24 0.344 6.041 -5.904 196 HD12 ILE 24 1HD1 ILE 24 -0.304 7.670 -5.716 197 HD13 ILE 24 2HD1 ILE 24 -1.377 6.336 -6.143 198 H ARG 25 H ARG 25 -4.582 6.503 -2.090 199 HA ARG 25 HA ARG 25 -5.759 8.872 -1.317 200 HB2 ARG 25 2HB ARG 25 -6.934 6.964 -2.330 201 HB3 ARG 25 3HB ARG 25 -6.701 6.016 -0.870 202 HG2 ARG 25 2HG ARG 25 -8.193 7.592 0.356 203 HG3 ARG 25 3HG ARG 25 -8.468 8.463 -1.158 204 HD2 ARG 25 2HD ARG 25 -9.381 6.352 -2.160 205 HD3 ARG 25 3HD ARG 25 -9.182 5.559 -0.593 206 HE ARG 25 HE ARG 25 -10.729 7.916 -0.306 207 HH11 ARG 25 1HH1 ARG 25 -11.018 4.629 -1.551 208 HH12 ARG 25 2HH1 ARG 25 -12.742 4.565 -1.310 209 HH21 ARG 25 1HH2 ARG 25 -12.970 7.852 -0.054 210 HH22 ARG 25 2HH2 ARG 25 -13.859 6.411 -0.461 211 H GLN 26 H GLN 26 -4.679 6.197 0.754 212 HA GLN 26 HA GLN 26 -5.573 7.294 3.239 213 HB2 GLN 26 2HB GLN 26 -3.445 5.183 2.702 214 HB3 GLN 26 3HB GLN 26 -4.110 5.563 4.287 215 HG2 GLN 26 2HG GLN 26 -5.598 4.356 1.946 216 HG3 GLN 26 3HG GLN 26 -5.104 3.530 3.416 217 HE21 GLN 26 1HE2 GLN 26 -7.772 3.871 2.227 218 HE22 GLN 26 2HE2 GLN 26 -8.743 4.634 3.433 219 H ALA 27 H ALA 27 -2.343 7.101 1.698 220 HA ALA 27 HA ALA 27 -0.903 8.493 3.666 221 HB1 ALA 27 3HB ALA 27 0.848 8.735 1.970 222 HB2 ALA 27 1HB ALA 27 -0.300 8.299 0.703 223 HB3 ALA 27 2HB ALA 27 0.147 7.115 1.932 224 H ARG 28 H ARG 28 -2.947 9.705 1.095 225 HA ARG 28 HA ARG 28 -2.036 12.451 1.237 226 HB2 ARG 28 2HB ARG 28 -4.535 11.263 -0.059 227 HB3 ARG 28 3HB ARG 28 -4.015 12.940 -0.215 228 HG2 ARG 28 2HG ARG 28 -1.894 12.115 -1.317 229 HG3 ARG 28 3HG ARG 28 -2.569 10.490 -1.255 230 HD2 ARG 28 2HD ARG 28 -2.928 11.503 -3.458 231 HD3 ARG 28 3HD ARG 28 -4.468 11.181 -2.655 232 HE ARG 28 HE ARG 28 -3.444 13.872 -2.288 233 HH11 ARG 28 1HH1 ARG 28 -5.447 11.825 -4.355 234 HH12 ARG 28 2HH1 ARG 28 -6.322 13.167 -5.032 235 HH21 ARG 28 1HH2 ARG 28 -4.569 15.622 -3.206 236 HH22 ARG 28 2HH2 ARG 28 -5.822 15.329 -4.375 237 H LYS 29 H LYS 29 -4.856 10.588 2.495 238 HA LYS 29 HA LYS 29 -6.127 12.877 3.671 239 HB2 LYS 29 2HB LYS 29 -7.673 11.355 4.741 240 HB3 LYS 29 3HB LYS 29 -7.394 10.815 3.092 241 HG2 LYS 29 2HG LYS 29 -6.015 9.008 3.815 242 HG3 LYS 29 3HG LYS 29 -5.945 9.617 5.465 243 HD2 LYS 29 2HD LYS 29 -8.418 8.523 4.070 244 HD3 LYS 29 3HD LYS 29 -7.443 7.669 5.265 245 HE2 LYS 29 2HE LYS 29 -8.008 9.550 6.895 246 HE3 LYS 29 3HE LYS 29 -9.183 10.110 5.701 247 HZ1 LYS 29 3HZ LYS 29 -10.332 8.739 7.219 248 HZ2 LYS 29 1HZ LYS 29 -9.163 7.521 7.143 249 HZ3 LYS 29 2HZ LYS 29 -10.159 7.817 5.815 250 H PHE 30 H PHE 30 -3.619 10.729 4.761 251 HA PHE 30 HA PHE 30 -3.596 11.813 7.484 252 HB2 PHE 30 2HB PHE 30 -1.813 9.754 6.112 253 HB3 PHE 30 3HB PHE 30 -1.659 10.238 7.797 254 HD1 PHE 30 HD1 PHE 30 -4.233 10.207 8.978 255 HD2 PHE 30 HD2 PHE 30 -2.744 7.601 5.932 256 HE1 PHE 30 HE1 PHE 30 -5.810 8.457 9.692 257 HE2 PHE 30 HE2 PHE 30 -4.326 5.859 6.649 258 HZ PHE 30 HZ PHE 30 -5.857 6.282 8.526 259 H ALA 31 H ALA 31 -2.494 12.836 4.521 260 HA ALA 31 HA ALA 31 -1.234 14.555 3.796 261 HB1 ALA 31 3HB ALA 31 -0.902 15.297 6.724 262 HB2 ALA 31 1HB ALA 31 -2.266 15.761 5.702 263 HB3 ALA 31 2HB ALA 31 -0.647 16.357 5.337 264 H GLY 32 H GLY 32 -0.009 11.935 4.678 265 HA2 GLY 32 2HA GLY 32 2.809 12.537 5.099 266 HA3 GLY 32 3HA GLY 32 2.077 10.953 4.910 267 H THR 33 H THR 33 4.251 10.984 3.579 268 HA THR 33 HA THR 33 3.835 11.917 0.804 269 HB THR 33 HB THR 33 6.426 11.006 2.196 270 HG1 THR 33 HG1 THR 33 5.089 13.305 2.407 271 HG21 THR 33 3HG2 THR 33 6.467 10.729 -0.285 272 HG22 THR 33 1HG2 THR 33 7.567 12.002 0.248 273 HG23 THR 33 2HG2 THR 33 6.017 12.428 -0.474 274 H VAL 34 H VAL 34 3.971 10.356 -0.872 275 HA VAL 34 HA VAL 34 4.253 7.526 -0.173 276 HB VAL 34 HB VAL 34 1.854 7.926 -0.013 277 HG11 VAL 34 1HG1 VAL 34 0.468 8.757 -1.884 278 HG12 VAL 34 2HG1 VAL 34 1.931 9.094 -2.814 279 HG13 VAL 34 3HG1 VAL 34 1.617 9.973 -1.319 280 HG21 VAL 34 3HG2 VAL 34 2.487 6.476 -2.605 281 HG22 VAL 34 1HG2 VAL 34 0.982 6.340 -1.690 282 HG23 VAL 34 2HG2 VAL 34 2.498 5.775 -0.985 283 H THR 35 H THR 35 5.357 6.452 -1.665 284 HA THR 35 HA THR 35 5.734 7.525 -4.405 285 HB THR 35 HB THR 35 7.908 6.327 -2.597 286 HG1 THR 35 HG1 THR 35 7.116 8.923 -3.232 287 HG21 THR 35 3HG2 THR 35 8.294 5.711 -4.963 288 HG22 THR 35 1HG2 THR 35 9.477 6.907 -4.432 289 HG23 THR 35 2HG2 THR 35 8.119 7.401 -5.444 290 H TYR 36 H TYR 36 5.497 5.937 -5.957 291 HA TYR 36 HA TYR 36 5.307 3.123 -5.032 292 HB2 TYR 36 2HB TYR 36 3.533 2.736 -6.635 293 HB3 TYR 36 3HB TYR 36 3.092 4.035 -5.549 294 HD1 TYR 36 HD2 TYR 36 2.963 6.404 -6.413 295 HD2 TYR 36 HD1 TYR 36 3.708 3.114 -9.047 296 HE1 TYR 36 HE2 TYR 36 2.332 7.792 -8.344 297 HE2 TYR 36 HE1 TYR 36 3.071 4.509 -10.965 298 HH TYR 36 HH TYR 36 2.652 7.896 -10.721 299 H THR 37 H THR 37 6.011 1.527 -6.389 300 HA THR 37 HA THR 37 7.364 2.261 -8.917 301 HB THR 37 HB THR 37 8.444 0.330 -6.811 302 HG1 THR 37 HG1 THR 37 9.031 2.998 -7.505 303 HG21 THR 37 3HG2 THR 37 10.469 0.209 -8.252 304 HG22 THR 37 1HG2 THR 37 9.640 1.180 -9.483 305 HG23 THR 37 2HG2 THR 37 9.051 -0.432 -9.077 306 H LEU 38 H LEU 38 5.749 1.456 -10.235 307 HA LEU 38 HA LEU 38 4.813 -1.286 -10.028 308 HB2 LEU 38 2HB LEU 38 4.707 0.709 -12.345 309 HB3 LEU 38 3HB LEU 38 3.886 -0.847 -12.319 310 HG LEU 38 HG LEU 38 3.309 1.399 -10.342 311 HD11 LEU 38 1HD1 LEU 38 2.674 2.117 -12.587 312 HD12 LEU 38 2HD1 LEU 38 1.242 1.796 -11.614 313 HD13 LEU 38 3HD1 LEU 38 1.755 0.628 -12.834 314 HD21 LEU 38 3HD2 LEU 38 2.765 -0.804 -9.435 315 HD22 LEU 38 1HD2 LEU 38 1.827 -1.203 -10.881 316 HD23 LEU 38 2HD2 LEU 38 1.285 0.081 -9.798 317 H ASP 39 H ASP 39 6.222 -2.903 -10.346 318 HA ASP 39 HA ASP 39 8.358 -2.685 -12.389 319 HB2 ASP 39 2HB ASP 39 9.264 -2.256 -10.074 320 HB3 ASP 39 3HB ASP 39 8.668 -3.830 -9.562 321 H GLY 40 H GLY 40 7.372 -4.019 -13.832 322 HA2 GLY 40 2HA GLY 40 6.841 -5.975 -14.880 323 HA3 GLY 40 3HA GLY 40 7.605 -6.824 -13.542 324 H ASN 41 H ASN 41 6.307 -7.521 -11.778 325 HA ASN 41 HA ASN 41 3.375 -7.275 -12.017 326 HB2 ASN 41 2HB ASN 41 4.975 -9.855 -12.101 327 HB3 ASN 41 3HB ASN 41 3.349 -9.854 -11.419 328 HD21 ASN 41 1HD2 ASN 41 1.597 -9.329 -12.764 329 HD22 ASN 41 2HD2 ASN 41 1.690 -9.483 -14.482 330 H ASP 42 H ASP 42 5.508 -6.217 -10.191 331 HA ASP 42 HA ASP 42 3.801 -6.587 -7.850 332 HB2 ASP 42 2HB ASP 42 5.610 -6.814 -6.249 333 HB3 ASP 42 3HB ASP 42 5.737 -8.105 -7.432 334 H LEU 43 H LEU 43 4.049 -4.902 -6.304 335 HA LEU 43 HA LEU 43 4.852 -2.280 -7.430 336 HB2 LEU 43 2HB LEU 43 2.463 -2.439 -7.625 337 HB3 LEU 43 3HB LEU 43 2.301 -3.167 -6.036 338 HG LEU 43 HG LEU 43 2.932 -0.998 -4.991 339 HD11 LEU 43 1HD1 LEU 43 2.858 0.136 -7.800 340 HD12 LEU 43 2HD1 LEU 43 4.282 0.001 -6.769 341 HD13 LEU 43 3HD1 LEU 43 2.961 1.071 -6.309 342 HD21 LEU 43 3HD2 LEU 43 0.591 -1.634 -5.306 343 HD22 LEU 43 1HD2 LEU 43 0.579 -0.845 -6.886 344 HD23 LEU 43 2HD2 LEU 43 0.804 0.110 -5.418 345 H GLU 44 H GLU 44 6.174 -1.149 -6.093 346 HA GLU 44 HA GLU 44 6.380 -1.893 -3.226 347 HB2 GLU 44 2HB GLU 44 8.425 -2.295 -4.599 348 HB3 GLU 44 3HB GLU 44 8.454 -0.597 -5.067 349 HG2 GLU 44 2HG GLU 44 8.836 0.050 -2.726 350 HG3 GLU 44 3HG GLU 44 8.763 -1.640 -2.230 351 H ILE 45 H ILE 45 5.051 -0.506 -2.203 352 HA ILE 45 HA ILE 45 5.048 2.387 -2.802 353 HB ILE 45 HB ILE 45 3.319 0.824 -0.802 354 HG12 ILE 45 2HG1 ILE 45 2.558 1.749 -3.623 355 HG13 ILE 45 3HG1 ILE 45 2.948 0.089 -3.187 356 HG21 ILE 45 1HG2 ILE 45 3.505 3.223 -0.262 357 HG22 ILE 45 2HG2 ILE 45 1.874 2.828 -0.794 358 HG23 ILE 45 3HG2 ILE 45 2.981 3.652 -1.894 359 HD11 ILE 45 3HD1 ILE 45 0.573 0.387 -3.348 360 HD12 ILE 45 1HD1 ILE 45 0.615 1.695 -2.169 361 HD13 ILE 45 2HD1 ILE 45 1.015 0.047 -1.675 362 H ARG 46 H ARG 46 6.058 3.805 -1.437 363 HA ARG 46 HA ARG 46 6.976 2.950 1.242 364 HB2 ARG 46 2HB ARG 46 8.432 4.638 -0.847 365 HB3 ARG 46 3HB ARG 46 8.965 4.480 0.825 366 HG2 ARG 46 2HG ARG 46 9.298 2.063 0.518 367 HG3 ARG 46 3HG ARG 46 8.695 2.179 -1.137 368 HD2 ARG 46 2HD ARG 46 11.162 3.625 -0.125 369 HD3 ARG 46 3HD ARG 46 11.190 2.067 -0.946 370 HE ARG 46 HE ARG 46 10.242 3.189 -2.901 371 HH11 ARG 46 1HH1 ARG 46 11.837 5.260 -0.543 372 HH12 ARG 46 2HH1 ARG 46 12.195 6.492 -1.712 373 HH21 ARG 46 1HH2 ARG 46 10.801 4.765 -4.412 374 HH22 ARG 46 2HH2 ARG 46 11.613 6.209 -3.890 375 H ILE 47 H ILE 47 5.795 4.012 2.657 376 HA ILE 47 HA ILE 47 4.871 6.775 2.130 377 HB ILE 47 HB ILE 47 3.649 4.692 4.016 378 HG12 ILE 47 2HG1 ILE 47 2.664 5.739 1.308 379 HG13 ILE 47 3HG1 ILE 47 3.299 4.129 1.611 380 HG21 ILE 47 1HG2 ILE 47 2.642 7.483 3.294 381 HG22 ILE 47 2HG2 ILE 47 3.308 6.997 4.855 382 HG23 ILE 47 3HG2 ILE 47 1.783 6.308 4.298 383 HD11 ILE 47 3HD1 ILE 47 1.368 3.663 3.056 384 HD12 ILE 47 1HD1 ILE 47 0.908 4.086 1.407 385 HD13 ILE 47 2HD1 ILE 47 0.735 5.272 2.698 386 H THR 48 H THR 48 5.797 8.324 3.291 387 HA THR 48 HA THR 48 7.106 7.747 5.894 388 HB THR 48 HB THR 48 8.142 9.850 3.926 389 HG1 THR 48 HG1 THR 48 8.440 7.084 3.751 390 HG21 THR 48 3HG2 THR 48 9.038 9.967 6.218 391 HG22 THR 48 1HG2 THR 48 10.299 9.467 5.092 392 HG23 THR 48 2HG2 THR 48 9.527 8.272 6.138 393 H GLY 49 H GLY 49 7.402 9.953 7.118 394 HA2 GLY 49 2HA GLY 49 6.795 12.168 7.587 395 HA3 GLY 49 3HA GLY 49 5.534 12.099 6.366 396 H VAL 50 H VAL 50 4.091 9.942 7.074 397 HA VAL 50 HA VAL 50 2.472 10.773 9.215 398 HB VAL 50 HB VAL 50 1.320 8.557 8.978 399 HG11 VAL 50 1HG1 VAL 50 0.478 8.879 6.702 400 HG12 VAL 50 2HG1 VAL 50 1.852 9.913 6.318 401 HG13 VAL 50 3HG1 VAL 50 0.670 10.429 7.520 402 HG21 VAL 50 3HG2 VAL 50 2.001 6.966 7.219 403 HG22 VAL 50 1HG2 VAL 50 3.249 7.127 8.452 404 HG23 VAL 50 2HG2 VAL 50 3.447 7.928 6.893 405 HA PRO 51 HA PRO 51 4.608 9.078 12.851 406 HB2 PRO 51 2HB PRO 51 1.821 8.670 13.929 407 HB3 PRO 51 3HB PRO 51 3.193 9.546 14.640 408 HG2 PRO 51 2HG PRO 51 1.128 10.849 13.594 409 HG3 PRO 51 3HG PRO 51 2.784 11.464 13.412 410 HD2 PRO 51 2HD PRO 51 1.063 10.045 11.401 411 HD3 PRO 51 3HD PRO 51 2.204 11.390 11.165 412 H GLU 52 H GLU 52 4.720 7.083 14.116 413 HA GLU 52 HA GLU 52 4.547 4.789 12.477 414 HB2 GLU 52 2HB GLU 52 6.278 5.078 14.205 415 HB3 GLU 52 3HB GLU 52 5.049 4.998 15.466 416 HG2 GLU 52 2HG GLU 52 4.552 2.656 14.839 417 HG3 GLU 52 3HG GLU 52 5.776 2.745 13.561 418 H GLN 53 H GLN 53 2.510 6.043 15.074 419 HA GLN 53 HA GLN 53 0.780 3.881 15.476 420 HB2 GLN 53 2HB GLN 53 -0.883 5.585 16.254 421 HB3 GLN 53 3HB GLN 53 0.718 5.816 16.947 422 HG2 GLN 53 2HG GLN 53 1.166 7.687 15.496 423 HG3 GLN 53 3HG GLN 53 -0.297 7.378 14.563 424 HE21 GLN 53 1HE2 GLN 53 -2.293 8.043 15.378 425 HE22 GLN 53 2HE2 GLN 53 -2.448 9.105 16.737 426 H VAL 54 H VAL 54 0.767 6.400 13.021 427 HA VAL 54 HA VAL 54 -1.690 5.620 11.752 428 HB VAL 54 HB VAL 54 0.559 7.481 10.858 429 HG11 VAL 54 1HG1 VAL 54 -0.654 6.692 8.888 430 HG12 VAL 54 2HG1 VAL 54 -1.032 8.384 9.200 431 HG13 VAL 54 3HG1 VAL 54 -2.198 7.127 9.628 432 HG21 VAL 54 3HG2 VAL 54 -0.964 9.300 11.512 433 HG22 VAL 54 1HG2 VAL 54 -0.596 8.252 12.884 434 HG23 VAL 54 2HG2 VAL 54 -2.157 8.122 12.068 435 H ARG 55 H ARG 55 1.777 5.033 11.155 436 HA ARG 55 HA ARG 55 1.616 3.695 8.681 437 HB2 ARG 55 2HB ARG 55 3.621 3.417 10.960 438 HB3 ARG 55 3HB ARG 55 3.829 2.632 9.396 439 HG2 ARG 55 2HG ARG 55 4.061 4.726 8.263 440 HG3 ARG 55 3HG ARG 55 3.503 5.627 9.674 441 HD2 ARG 55 2HD ARG 55 5.923 5.853 9.388 442 HD3 ARG 55 3HD ARG 55 5.543 5.025 10.896 443 HE ARG 55 HE ARG 55 6.498 3.671 8.443 444 HH11 ARG 55 1HH1 ARG 55 6.488 3.944 11.948 445 HH12 ARG 55 2HH1 ARG 55 7.594 2.627 12.174 446 HH21 ARG 55 1HH2 ARG 55 7.940 1.939 8.760 447 HH22 ARG 55 2HH2 ARG 55 8.412 1.495 10.368 448 H LYS 56 H LYS 56 1.205 2.523 11.999 449 HA LYS 56 HA LYS 56 0.941 -0.239 11.445 450 HB2 LYS 56 2HB LYS 56 -0.157 1.464 13.725 451 HB3 LYS 56 3HB LYS 56 -0.195 -0.298 13.707 452 HG2 LYS 56 2HG LYS 56 2.233 -0.418 13.772 453 HG3 LYS 56 3HG LYS 56 2.366 1.330 13.557 454 HD2 LYS 56 2HD LYS 56 2.758 0.800 15.899 455 HD3 LYS 56 3HD LYS 56 1.223 1.658 15.763 456 HE2 LYS 56 2HE LYS 56 0.025 -0.518 15.882 457 HE3 LYS 56 3HE LYS 56 1.574 -1.341 16.075 458 HZ1 LYS 56 3HZ LYS 56 1.918 -0.119 18.128 459 HZ2 LYS 56 1HZ LYS 56 0.483 -1.003 18.190 460 HZ3 LYS 56 2HZ LYS 56 0.438 0.672 17.944 461 H GLU 57 H GLU 57 -1.302 2.440 11.094 462 HA GLU 57 HA GLU 57 -3.668 0.781 10.769 463 HB2 GLU 57 2HB GLU 57 -3.321 3.731 10.091 464 HB3 GLU 57 3HB GLU 57 -4.843 2.864 10.285 465 HG2 GLU 57 2HG GLU 57 -2.809 3.413 12.458 466 HG3 GLU 57 3HG GLU 57 -4.348 4.236 12.253 467 H LEU 58 H LEU 58 -1.277 2.357 8.718 468 HA LEU 58 HA LEU 58 -2.421 1.804 6.185 469 HB2 LEU 58 2HB LEU 58 0.370 2.383 7.162 470 HB3 LEU 58 3HB LEU 58 0.194 1.730 5.548 471 HG LEU 58 HG LEU 58 0.395 4.118 5.369 472 HD11 LEU 58 1HD1 LEU 58 -1.127 3.109 3.763 473 HD12 LEU 58 2HD1 LEU 58 -1.651 4.741 4.162 474 HD13 LEU 58 3HD1 LEU 58 -2.496 3.353 4.853 475 HD21 LEU 58 3HD2 LEU 58 -1.953 4.423 7.271 476 HD22 LEU 58 1HD2 LEU 58 -1.160 5.731 6.386 477 HD23 LEU 58 2HD2 LEU 58 -0.268 4.828 7.606 478 H ALA 59 H ALA 59 -0.880 -0.261 8.521 479 HA ALA 59 HA ALA 59 -0.361 -2.521 6.891 480 HB1 ALA 59 3HB ALA 59 0.560 -2.278 9.152 481 HB2 ALA 59 1HB ALA 59 -0.336 -3.787 8.996 482 HB3 ALA 59 2HB ALA 59 -1.055 -2.415 9.846 483 H LYS 60 H LYS 60 -3.247 -1.556 8.803 484 HA LYS 60 HA LYS 60 -4.803 -3.883 8.280 485 HB2 LYS 60 2HB LYS 60 -5.617 -1.068 9.115 486 HB3 LYS 60 3HB LYS 60 -6.799 -2.344 8.882 487 HG2 LYS 60 2HG LYS 60 -6.429 -2.162 11.221 488 HG3 LYS 60 3HG LYS 60 -5.624 -3.649 10.712 489 HD2 LYS 60 2HD LYS 60 -3.456 -2.580 10.814 490 HD3 LYS 60 3HD LYS 60 -4.190 -0.997 11.074 491 HE2 LYS 60 2HE LYS 60 -4.386 -3.320 13.018 492 HE3 LYS 60 3HE LYS 60 -3.227 -1.999 13.140 493 HZ1 LYS 60 3HZ LYS 60 -5.032 -0.443 13.392 494 HZ2 LYS 60 1HZ LYS 60 -5.160 -1.664 14.557 495 HZ3 LYS 60 2HZ LYS 60 -6.183 -1.672 13.208 496 H GLU 61 H GLU 61 -4.470 -0.736 6.680 497 HA GLU 61 HA GLU 61 -6.457 -1.086 4.684 498 HB2 GLU 61 2HB GLU 61 -3.982 0.683 4.718 499 HB3 GLU 61 3HB GLU 61 -5.261 0.797 3.514 500 HG2 GLU 61 2HG GLU 61 -5.498 1.332 6.486 501 HG3 GLU 61 3HG GLU 61 -5.553 2.527 5.194 502 H ALA 62 H ALA 62 -2.975 -1.762 4.747 503 HA ALA 62 HA ALA 62 -2.554 -2.604 2.119 504 HB1 ALA 62 3HB ALA 62 -0.767 -2.134 3.790 505 HB2 ALA 62 1HB ALA 62 -0.529 -3.665 2.960 506 HB3 ALA 62 2HB ALA 62 -1.153 -3.647 4.609 507 H GLU 63 H GLU 63 -3.462 -4.507 4.979 508 HA GLU 63 HA GLU 63 -3.476 -7.070 3.773 509 HB2 GLU 63 2HB GLU 63 -4.855 -6.037 6.288 510 HB3 GLU 63 3HB GLU 63 -4.698 -7.740 5.869 511 HG2 GLU 63 2HG GLU 63 -2.281 -7.631 6.081 512 HG3 GLU 63 3HG GLU 63 -2.335 -5.885 6.304 513 H ARG 64 H ARG 64 -6.101 -4.691 4.369 514 HA ARG 64 HA ARG 64 -8.222 -6.448 3.608 515 HB2 ARG 64 2HB ARG 64 -9.714 -4.568 3.792 516 HB3 ARG 64 3HB ARG 64 -8.532 -4.432 5.087 517 HG2 ARG 64 2HG ARG 64 -7.279 -2.785 3.627 518 HG3 ARG 64 3HG ARG 64 -8.654 -2.818 2.528 519 HD2 ARG 64 2HD ARG 64 -8.776 -1.992 5.444 520 HD3 ARG 64 3HD ARG 64 -8.674 -0.880 4.079 521 HE ARG 64 HE ARG 64 -10.924 -2.683 3.928 522 HH11 ARG 64 1HH1 ARG 64 -9.788 0.375 5.255 523 HH12 ARG 64 2HH1 ARG 64 -11.388 1.036 5.420 524 HH21 ARG 64 1HH2 ARG 64 -13.030 -1.808 4.114 525 HH22 ARG 64 2HH2 ARG 64 -13.244 -0.210 4.766 526 H LEU 65 H LEU 65 -6.224 -4.144 1.825 527 HA LEU 65 HA LEU 65 -7.760 -4.240 -0.620 528 HB2 LEU 65 2HB LEU 65 -4.918 -3.305 -0.053 529 HB3 LEU 65 3HB LEU 65 -5.742 -3.090 -1.593 530 HG LEU 65 HG LEU 65 -6.652 -1.877 1.050 531 HD11 LEU 65 1HD1 LEU 65 -4.558 -0.885 0.256 532 HD12 LEU 65 2HD1 LEU 65 -5.892 0.259 0.153 533 HD13 LEU 65 3HD1 LEU 65 -5.299 -0.536 -1.308 534 HD21 LEU 65 3HD2 LEU 65 -7.735 -1.462 -1.753 535 HD22 LEU 65 1HD2 LEU 65 -8.232 -0.573 -0.311 536 HD23 LEU 65 2HD2 LEU 65 -8.547 -2.302 -0.430 537 H ALA 66 H ALA 66 -4.931 -5.912 0.648 538 HA ALA 66 HA ALA 66 -4.086 -7.283 -1.639 539 HB1 ALA 66 3HB ALA 66 -2.783 -7.144 0.443 540 HB2 ALA 66 1HB ALA 66 -2.958 -8.815 -0.100 541 HB3 ALA 66 2HB ALA 66 -3.935 -8.214 1.243 542 H LYS 67 H LYS 67 -6.435 -8.265 0.854 543 HA LYS 67 HA LYS 67 -7.015 -10.819 -0.369 544 HB2 LYS 67 2HB LYS 67 -8.671 -11.083 1.432 545 HB3 LYS 67 3HB LYS 67 -7.132 -10.531 2.076 546 HG2 LYS 67 2HG LYS 67 -8.108 -8.176 2.061 547 HG3 LYS 67 3HG LYS 67 -9.670 -8.917 1.726 548 HD2 LYS 67 2HD LYS 67 -7.941 -9.458 4.173 549 HD3 LYS 67 3HD LYS 67 -9.362 -8.419 4.137 550 HE2 LYS 67 2HE LYS 67 -10.766 -10.390 3.568 551 HE3 LYS 67 3HE LYS 67 -9.331 -11.417 3.653 552 HZ1 LYS 67 3HZ LYS 67 -10.680 -11.432 5.699 553 HZ2 LYS 67 1HZ LYS 67 -10.365 -9.790 5.910 554 HZ3 LYS 67 2HZ LYS 67 -9.097 -10.908 5.973 555 H GLU 68 H GLU 68 -8.263 -7.584 -0.581 556 HA GLU 68 HA GLU 68 -10.835 -8.112 -1.677 557 HB2 GLU 68 2HB GLU 68 -10.143 -5.943 -0.647 558 HB3 GLU 68 3HB GLU 68 -9.068 -5.649 -2.007 559 HG2 GLU 68 2HG GLU 68 -11.076 -4.344 -2.289 560 HG3 GLU 68 3HG GLU 68 -11.037 -5.604 -3.519 561 H PHE 69 H PHE 69 -7.719 -7.213 -3.164 562 HA PHE 69 HA PHE 69 -8.742 -7.603 -5.897 563 HB2 PHE 69 2HB PHE 69 -6.044 -6.514 -4.937 564 HB3 PHE 69 3HB PHE 69 -6.626 -6.504 -6.601 565 HD1 PHE 69 HD1 PHE 69 -9.038 -5.352 -6.904 566 HD2 PHE 69 HD2 PHE 69 -6.334 -4.517 -3.708 567 HE1 PHE 69 HE1 PHE 69 -10.182 -3.221 -6.490 568 HE2 PHE 69 HE2 PHE 69 -7.472 -2.373 -3.311 569 HZ PHE 69 HZ PHE 69 -9.401 -1.726 -4.695 570 H ASN 70 H ASN 70 -7.546 -9.630 -3.653 571 HA ASN 70 HA ASN 70 -6.880 -11.780 -3.656 572 HB2 ASN 70 2HB ASN 70 -8.475 -11.894 -5.644 573 HB3 ASN 70 3HB ASN 70 -7.085 -11.704 -6.703 574 HD21 ASN 70 1HD2 ASN 70 -5.761 -13.494 -7.068 575 HD22 ASN 70 2HD2 ASN 70 -6.129 -15.082 -6.497 576 H ILE 71 H ILE 71 -4.994 -9.479 -4.079 577 HA ILE 71 HA ILE 71 -2.596 -10.804 -5.198 578 HB ILE 71 HB ILE 71 -1.559 -8.514 -5.111 579 HG12 ILE 71 2HG1 ILE 71 -4.351 -7.633 -4.205 580 HG13 ILE 71 3HG1 ILE 71 -2.871 -7.511 -3.266 581 HG21 ILE 71 1HG2 ILE 71 -4.179 -8.657 -6.660 582 HG22 ILE 71 2HG2 ILE 71 -2.627 -9.313 -7.188 583 HG23 ILE 71 3HG2 ILE 71 -2.832 -7.571 -7.016 584 HD11 ILE 71 3HD1 ILE 71 -2.016 -5.854 -4.884 585 HD12 ILE 71 1HD1 ILE 71 -3.521 -5.355 -4.111 586 HD13 ILE 71 2HD1 ILE 71 -3.543 -5.960 -5.765 587 H THR 72 H THR 72 -0.559 -10.605 -3.944 588 HA THR 72 HA THR 72 -0.984 -11.181 -1.109 589 HB THR 72 HB THR 72 1.534 -11.731 -1.202 590 HG1 THR 72 HG1 THR 72 2.118 -10.567 -3.015 591 HG21 THR 72 3HG2 THR 72 1.217 -13.881 -2.403 592 HG22 THR 72 1HG2 THR 72 -0.295 -13.273 -3.085 593 HG23 THR 72 2HG2 THR 72 -0.151 -13.535 -1.346 594 H VAL 73 H VAL 73 0.026 -10.025 0.601 595 HA VAL 73 HA VAL 73 1.430 -7.524 -0.121 596 HB VAL 73 HB VAL 73 -0.882 -7.011 0.712 597 HG11 VAL 73 1HG1 VAL 73 -1.453 -7.263 3.097 598 HG12 VAL 73 2HG1 VAL 73 0.044 -8.162 3.368 599 HG13 VAL 73 3HG1 VAL 73 -1.206 -8.830 2.320 600 HG21 VAL 73 3HG2 VAL 73 -0.199 -5.231 2.261 601 HG22 VAL 73 1HG2 VAL 73 0.934 -5.366 0.918 602 HG23 VAL 73 2HG2 VAL 73 1.362 -6.011 2.506 603 H THR 74 H THR 74 3.207 -7.109 0.949 604 HA THR 74 HA THR 74 3.887 -8.369 3.496 605 HB THR 74 HB THR 74 5.152 -9.740 1.946 606 HG1 THR 74 HG1 THR 74 7.380 -8.869 2.407 607 HG21 THR 74 3HG2 THR 74 5.051 -8.383 -0.098 608 HG22 THR 74 1HG2 THR 74 6.712 -8.841 0.246 609 HG23 THR 74 2HG2 THR 74 6.159 -7.201 0.608 610 H TYR 75 H TYR 75 4.531 -6.788 4.849 611 HA TYR 75 HA TYR 75 5.378 -4.163 3.826 612 HB2 TYR 75 2HB TYR 75 3.741 -2.998 5.342 613 HB3 TYR 75 3HB TYR 75 2.962 -3.870 4.029 614 HD1 TYR 75 HD1 TYR 75 3.532 -3.811 7.692 615 HD2 TYR 75 HD2 TYR 75 1.508 -5.789 4.492 616 HE1 TYR 75 HE1 TYR 75 2.110 -4.984 9.312 617 HE2 TYR 75 HE2 TYR 75 0.089 -6.956 6.109 618 HH TYR 75 HH TYR 75 -0.196 -6.095 9.300 619 H THR 76 H THR 76 6.573 -2.940 5.376 620 HA THR 76 HA THR 76 7.569 -4.544 7.662 621 HB THR 76 HB THR 76 9.107 -2.300 6.269 622 HG1 THR 76 HG1 THR 76 8.951 -3.766 4.666 623 HG21 THR 76 3HG2 THR 76 10.023 -4.619 8.020 624 HG22 THR 76 1HG2 THR 76 9.919 -2.932 8.516 625 HG23 THR 76 2HG2 THR 76 11.070 -3.411 7.268 626 H ILE 77 H ILE 77 6.972 -3.809 9.548 627 HA ILE 77 HA ILE 77 7.434 -1.068 10.318 628 HB ILE 77 HB ILE 77 5.213 -1.063 11.738 629 HG12 ILE 77 2HG1 ILE 77 4.287 -2.866 9.455 630 HG13 ILE 77 3HG1 ILE 77 4.497 -3.370 11.128 631 HG21 ILE 77 1HG2 ILE 77 5.686 0.640 10.065 632 HG22 ILE 77 2HG2 ILE 77 3.977 0.207 10.053 633 HG23 ILE 77 3HG2 ILE 77 5.052 -0.403 8.793 634 HD11 ILE 77 3HD1 ILE 77 2.171 -3.011 10.630 635 HD12 ILE 77 1HD1 ILE 77 2.495 -1.358 10.107 636 HD13 ILE 77 2HD1 ILE 77 2.716 -1.810 11.800 637 H ARG 78 H ARG 78 8.472 -1.124 12.171 638 HA ARG 78 HA ARG 78 7.851 -3.205 14.202 639 HB2 ARG 78 2HB ARG 78 10.541 -1.787 13.816 640 HB3 ARG 78 3HB ARG 78 10.177 -3.031 15.004 641 HG2 ARG 78 2HG ARG 78 10.274 -3.408 12.002 642 HG3 ARG 78 3HG ARG 78 11.505 -3.920 13.153 643 HD2 ARG 78 2HD ARG 78 10.024 -5.574 14.101 644 HD3 ARG 78 3HD ARG 78 8.648 -4.949 13.181 645 HE ARG 78 HE ARG 78 11.007 -6.075 11.815 646 HH11 ARG 78 1HH1 ARG 78 7.530 -6.157 12.360 647 HH12 ARG 78 2HH1 ARG 78 7.253 -7.308 11.091 648 HH21 ARG 78 1HH2 ARG 78 10.615 -7.566 10.178 649 HH22 ARG 78 2HH2 ARG 78 8.995 -8.105 9.866 650 H GLY 79 H GLY 79 8.274 -2.340 16.465 651 HA2 GLY 79 2HA GLY 79 8.510 0.488 16.879 652 HA3 GLY 79 3HA GLY 79 6.846 -0.064 17.061 653 H SER 80 H SER 80 6.466 -1.827 18.605 654 HA SER 80 HA SER 80 7.860 -1.193 21.093 655 HB2 SER 80 2HB SER 80 5.833 -2.387 22.092 656 HB3 SER 80 3HB SER 80 5.468 -0.944 21.142 657 HG SER 80 HG SER 80 4.494 -3.354 20.789 658 H LEU 81 H LEU 81 9.421 -2.800 19.396 659 HA LEU 81 HA LEU 81 9.407 -5.568 20.056 660 HB2 LEU 81 2HB LEU 81 11.699 -3.749 19.204 661 HB3 LEU 81 3HB LEU 81 11.843 -5.493 19.344 662 HG LEU 81 HG LEU 81 9.995 -4.055 17.391 663 HD11 LEU 81 1HD1 LEU 81 12.339 -3.734 16.762 664 HD12 LEU 81 2HD1 LEU 81 11.550 -4.828 15.632 665 HD13 LEU 81 3HD1 LEU 81 12.639 -5.472 16.865 666 HD21 LEU 81 3HD2 LEU 81 9.069 -6.220 18.050 667 HD22 LEU 81 1HD2 LEU 81 10.601 -7.021 17.685 668 HD23 LEU 81 2HD2 LEU 81 9.648 -6.293 16.388 669 H GLU 82 H GLU 82 10.237 -2.825 21.878 670 HA GLU 82 HA GLU 82 12.195 -3.701 23.670 671 HB2 GLU 82 2HB GLU 82 11.456 -1.833 25.090 672 HB3 GLU 82 3HB GLU 82 11.536 -1.340 23.405 673 HG2 GLU 82 2HG GLU 82 9.018 -1.716 23.285 674 HG3 GLU 82 3HG GLU 82 9.048 -1.929 25.035 675 H HIS 83 H HIS 83 11.931 -4.176 25.975 676 HA HIS 83 HA HIS 83 9.406 -5.286 26.903 677 HB2 HIS 83 2HB HIS 83 10.589 -7.199 25.751 678 HB3 HIS 83 3HB HIS 83 11.940 -7.006 26.866 679 HD1 HIS 83 HD1 HIS 83 11.823 -8.620 28.770 680 HD2 HIS 83 HD2 HIS 83 8.050 -7.663 27.332 681 HE1 HIS 83 HE1 HIS 83 10.211 -9.934 30.180 682 HE2 HIS 83 HE2 HIS 83 7.941 -9.162 29.426 683 H HIS 84 H HIS 84 9.442 -3.552 28.333 684 HA HIS 84 HA HIS 84 11.691 -3.101 30.119 685 HB2 HIS 84 2HB HIS 84 10.377 -1.172 29.304 686 HB3 HIS 84 3HB HIS 84 8.929 -1.804 30.080 687 HD1 HIS 84 HD1 HIS 84 8.480 -0.279 32.026 688 HD2 HIS 84 HD2 HIS 84 12.518 -1.211 31.728 689 HE1 HIS 84 HE1 HIS 84 9.566 0.788 34.022 690 HE2 HIS 84 HE2 HIS 84 12.021 0.353 33.720 691 H HIS 85 H HIS 85 11.950 -4.791 31.458 692 HA HIS 85 HA HIS 85 9.742 -5.792 33.100 693 HB2 HIS 85 2HB HIS 85 11.437 -7.415 33.950 694 HB3 HIS 85 3HB HIS 85 11.263 -7.466 32.201 695 HD1 HIS 85 HD1 HIS 85 13.280 -6.588 30.785 696 HD2 HIS 85 HD2 HIS 85 13.977 -6.716 34.877 697 HE1 HIS 85 HE1 HIS 85 15.772 -6.420 31.047 698 HE2 HIS 85 HE2 HIS 85 16.156 -6.351 33.527 699 H HIS 86 H HIS 86 10.169 -5.982 35.488 700 HA HIS 86 HA HIS 86 11.181 -3.406 36.565 701 HB2 HIS 86 2HB HIS 86 9.228 -5.427 37.786 702 HB3 HIS 86 3HB HIS 86 9.713 -3.903 38.524 703 HD1 HIS 86 HD1 HIS 86 7.324 -2.973 38.575 704 HD2 HIS 86 HD2 HIS 86 8.566 -3.982 34.739 705 HE1 HIS 86 HE1 HIS 86 5.599 -2.005 37.024 706 HE2 HIS 86 HE2 HIS 86 6.324 -2.708 34.725 707 H HIS 87 H HIS 87 12.617 -3.409 38.379 708 HA HIS 87 HA HIS 87 13.999 -5.861 39.135 709 HB2 HIS 87 2HB HIS 87 14.110 -3.047 40.334 710 HB3 HIS 87 3HB HIS 87 15.086 -4.392 40.912 711 HD1 HIS 87 HD1 HIS 87 15.499 -1.530 38.973 712 HD2 HIS 87 HD2 HIS 87 16.625 -5.490 38.435 713 HE1 HIS 87 HE1 HIS 87 17.389 -1.464 37.319 714 HE2 HIS 87 HE2 HIS 87 18.172 -3.852 37.164 715 H HIS 88 H HIS 88 11.722 -3.587 40.578 716 HA HIS 88 HA HIS 88 10.439 -5.675 42.164 717 HB2 HIS 88 2HB HIS 88 11.997 -4.635 43.768 718 HB3 HIS 88 3HB HIS 88 11.445 -3.025 43.329 719 HD1 HIS 88 HD1 HIS 88 10.229 -6.136 45.114 720 HD2 HIS 88 HD2 HIS 88 9.253 -2.113 44.772 721 HE1 HIS 88 HE1 HIS 88 8.425 -5.737 46.817 722 HE2 HIS 88 HE2 HIS 88 7.769 -3.328 46.509
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