NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7142 | 1k0x | 5220 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 7.091 13.755 -3.262 2 2H MET 1 2HT MET 1 6.033 14.792 -4.079 3 3H MET 1 3HT MET 1 6.961 15.375 -2.791 4 HA MET 1 HA MET 1 8.048 14.373 -5.360 5 1HB MET 1 2HB MET 1 6.749 16.491 -5.526 6 2HB MET 1 1HB MET 1 7.797 17.203 -4.309 7 1HG MET 1 2HG MET 1 9.714 16.940 -5.804 8 2HG MET 1 1HG MET 1 8.660 16.228 -7.024 9 1HE MET 1 1HE MET 1 9.196 18.755 -9.049 10 2HE MET 1 2HE MET 1 10.345 17.980 -7.958 11 3HE MET 1 3HE MET 1 10.120 19.728 -7.906 12 H GLY 2 H GLY 2 9.993 13.535 -5.011 13 1HA GLY 2 2HA GLY 2 12.328 14.200 -4.468 14 2HA GLY 2 1HA GLY 2 11.703 14.738 -2.917 15 HA PRO 3 HA PRO 3 12.869 10.200 -2.662 16 1HB PRO 3 2HB PRO 3 15.441 10.481 -1.622 17 2HB PRO 3 1HB PRO 3 15.028 10.096 -3.290 18 1HG PRO 3 1HG PRO 3 16.238 12.467 -2.309 19 2HG PRO 3 2HG PRO 3 15.748 12.109 -3.970 20 1HD PRO 3 1HD PRO 3 14.401 13.736 -1.924 21 2HD PRO 3 2HD PRO 3 14.248 13.777 -3.689 22 H MET 4 H MET 4 11.942 9.370 -0.943 23 HA MET 4 HA MET 4 12.561 10.451 1.735 24 1HB MET 4 1HB MET 4 10.016 9.051 0.875 25 2HB MET 4 2HB MET 4 10.336 9.764 2.446 26 1HG MET 4 2HG MET 4 10.570 11.977 1.175 27 2HG MET 4 1HG MET 4 9.779 11.128 -0.155 28 1HE MET 4 1HE MET 4 7.436 9.794 0.218 29 2HE MET 4 2HE MET 4 6.375 10.059 1.603 30 3HE MET 4 3HE MET 4 7.867 9.136 1.798 31 HA PRO 5 HA PRO 5 14.009 6.395 2.913 32 1HB PRO 5 1HB PRO 5 12.768 5.923 5.319 33 2HB PRO 5 2HB PRO 5 14.192 6.946 5.127 34 1HG PRO 5 1HG PRO 5 11.318 7.724 5.347 35 2HG PRO 5 2HG PRO 5 12.744 8.474 6.089 36 1HD PRO 5 1HD PRO 5 11.568 9.515 3.916 37 2HD PRO 5 2HD PRO 5 13.326 9.585 4.144 38 H LYS 6 H LYS 6 13.412 4.555 2.011 39 HA LYS 6 HA LYS 6 10.934 3.911 1.018 40 1HB LYS 6 1HB LYS 6 13.140 2.024 1.850 41 2HB LYS 6 2HB LYS 6 11.779 1.586 0.828 42 1HG LYS 6 2HG LYS 6 12.510 3.211 -0.846 43 2HG LYS 6 1HG LYS 6 13.876 3.650 0.179 44 1HD LYS 6 1HD LYS 6 13.406 0.850 -0.833 45 2HD LYS 6 2HD LYS 6 14.384 2.037 -1.695 46 1HE LYS 6 1HE LYS 6 15.868 2.223 0.246 47 2HE LYS 6 2HE LYS 6 14.889 1.035 1.107 48 1HZ LYS 6 1HZ LYS 6 16.441 -0.352 0.273 49 2HZ LYS 6 2HZ LYS 6 16.816 0.647 -1.039 50 3HZ LYS 6 3HZ LYS 6 15.437 -0.330 -1.090 51 H LEU 7 H LEU 7 9.151 2.896 1.681 52 HA LEU 7 HA LEU 7 8.591 2.686 4.458 53 1HB LEU 7 2HB LEU 7 7.059 1.832 2.000 54 2HB LEU 7 1HB LEU 7 6.446 1.570 3.615 55 HG LEU 7 HG LEU 7 5.370 3.496 2.666 56 1HD1 LEU 7 1HD1 LEU 7 5.767 3.643 5.030 57 2HD1 LEU 7 2HD1 LEU 7 5.928 5.241 4.301 58 3HD1 LEU 7 3HD1 LEU 7 7.369 4.328 4.755 59 1HD2 LEU 7 1HD2 LEU 7 6.335 4.900 1.268 60 2HD2 LEU 7 2HD2 LEU 7 7.849 4.020 1.463 61 3HD2 LEU 7 3HD2 LEU 7 7.490 5.397 2.504 62 H ALA 8 H ALA 8 9.566 0.424 1.982 63 HA ALA 8 HA ALA 8 10.088 -1.610 3.989 64 1HB ALA 8 1HB ALA 8 8.841 -3.029 1.890 65 2HB ALA 8 2HB ALA 8 7.756 -1.718 2.348 66 3HB ALA 8 3HB ALA 8 8.310 -2.869 3.564 67 H ASP 9 H ASP 9 10.847 -3.717 2.567 68 HA ASP 9 HA ASP 9 12.869 -2.674 0.694 69 1HB ASP 9 2HB ASP 9 13.029 -5.084 2.518 70 2HB ASP 9 1HB ASP 9 14.275 -4.597 1.372 71 H ARG 10 H ARG 10 10.802 -5.486 1.396 72 HA ARG 10 HA ARG 10 10.827 -6.122 -1.486 73 1HB ARG 10 2HB ARG 10 10.771 -8.089 0.804 74 2HB ARG 10 1HB ARG 10 10.606 -8.509 -0.891 75 1HG ARG 10 1HG ARG 10 12.865 -7.593 -1.294 76 2HG ARG 10 2HG ARG 10 13.023 -7.306 0.440 77 1HD ARG 10 1HD ARG 10 12.680 -9.702 0.844 78 2HD ARG 10 2HD ARG 10 12.584 -9.970 -0.895 79 HE ARG 10 HE ARG 10 14.993 -8.665 -0.337 80 1HH1 ARG 10 1HH1 ARG 10 13.499 -11.787 0.232 81 2HH1 ARG 10 2HH1 ARG 10 15.009 -12.630 0.278 82 1HH2 ARG 10 1HH2 ARG 10 16.964 -9.789 -0.273 83 2HH2 ARG 10 2HH2 ARG 10 16.970 -11.500 -0.008 84 H LYS 11 H LYS 11 8.923 -7.162 -2.297 85 HA LYS 11 HA LYS 11 6.496 -6.826 -0.675 86 1HB LYS 11 2HB LYS 11 5.377 -5.876 -2.696 87 2HB LYS 11 1HB LYS 11 6.649 -4.850 -2.044 88 1HG LYS 11 2HG LYS 11 8.166 -5.992 -3.782 89 2HG LYS 11 1HG LYS 11 6.657 -6.496 -4.543 90 1HD LYS 11 2HD LYS 11 5.969 -4.221 -4.822 91 2HD LYS 11 1HD LYS 11 7.348 -3.645 -3.881 92 1HE LYS 11 2HE LYS 11 8.873 -4.526 -5.575 93 2HE LYS 11 1HE LYS 11 7.497 -5.101 -6.518 94 1HZ LYS 11 1HZ LYS 11 8.568 -2.425 -6.258 95 2HZ LYS 11 2HZ LYS 11 6.881 -2.517 -6.197 96 3HZ LYS 11 3HZ LYS 11 7.712 -3.130 -7.536 97 H LEU 12 H LEU 12 4.545 -7.736 -2.061 98 HA LEU 12 HA LEU 12 5.368 -10.316 -3.234 99 1HB LEU 12 2HB LEU 12 2.925 -9.740 -1.549 100 2HB LEU 12 1HB LEU 12 3.243 -11.257 -2.361 101 HG LEU 12 HG LEU 12 4.941 -10.095 -0.145 102 1HD1 LEU 12 1HD1 LEU 12 2.872 -10.725 0.807 103 2HD1 LEU 12 2HD1 LEU 12 3.984 -12.057 1.124 104 3HD1 LEU 12 3HD1 LEU 12 2.788 -12.194 -0.165 105 1HD2 LEU 12 1HD2 LEU 12 5.907 -12.395 -0.097 106 2HD2 LEU 12 2HD2 LEU 12 6.295 -11.481 -1.554 107 3HD2 LEU 12 3HD2 LEU 12 5.053 -12.732 -1.604 108 H CYS 13 H CYS 13 4.403 -10.925 -5.115 109 HA CYS 13 HA CYS 13 2.185 -9.336 -6.189 110 1HB CYS 13 2HB CYS 13 4.763 -9.898 -7.676 111 2HB CYS 13 1HB CYS 13 3.327 -9.172 -8.383 112 H ALA 14 H ALA 14 1.454 -10.372 -8.368 113 HA ALA 14 HA ALA 14 0.953 -13.169 -7.864 114 1HB ALA 14 1HB ALA 14 -0.912 -12.020 -8.708 115 2HB ALA 14 2HB ALA 14 -0.328 -12.973 -10.074 116 3HB ALA 14 3HB ALA 14 0.030 -11.247 -9.982 117 H ASP 15 H ASP 15 2.933 -11.228 -9.963 118 HA ASP 15 HA ASP 15 4.328 -13.632 -10.889 119 1HB ASP 15 2HB ASP 15 3.388 -11.363 -12.658 120 2HB ASP 15 1HB ASP 15 4.588 -12.552 -13.152 121 H GLN 16 H GLN 16 6.474 -12.964 -11.951 122 HA GLN 16 HA GLN 16 7.931 -11.402 -10.076 123 1HB GLN 16 1HB GLN 16 8.836 -12.391 -12.784 124 2HB GLN 16 2HB GLN 16 9.868 -11.859 -11.467 125 1HG GLN 16 2HG GLN 16 9.113 -13.731 -10.103 126 2HG GLN 16 1HG GLN 16 8.068 -14.266 -11.417 127 1HE2 GLN 16 1HE2 GLN 16 10.926 -14.815 -9.950 128 2HE2 GLN 16 2HE2 GLN 16 11.801 -15.539 -11.250 129 H GLU 17 H GLU 17 6.113 -10.534 -12.787 130 HA GLU 17 HA GLU 17 7.653 -8.149 -13.431 131 1HB GLU 17 2HB GLU 17 5.103 -9.315 -14.556 132 2HB GLU 17 1HB GLU 17 5.720 -7.751 -15.050 133 1HG GLU 17 1HG GLU 17 6.412 -9.302 -16.686 134 2HG GLU 17 2HG GLU 17 7.842 -8.914 -15.734 135 H CYS 18 H CYS 18 5.037 -9.079 -11.402 136 HA CYS 18 HA CYS 18 3.580 -7.972 -10.059 137 1HB CYS 18 1HB CYS 18 5.658 -5.789 -10.337 138 2HB CYS 18 2HB CYS 18 4.279 -5.679 -9.250 139 H SER 19 H SER 19 3.273 -7.915 -12.927 140 HA SER 19 HA SER 19 1.988 -5.373 -13.506 141 1HB SER 19 2HB SER 19 3.480 -6.309 -15.185 142 2HB SER 19 1HB SER 19 2.524 -7.776 -15.228 143 HG SER 19 HG SER 19 1.774 -6.596 -16.901 144 H HIS 20 H HIS 20 1.162 -8.320 -12.189 145 HA HIS 20 HA HIS 20 -1.600 -8.254 -13.171 146 1HB HIS 20 2HB HIS 20 0.162 -10.360 -12.056 147 2HB HIS 20 1HB HIS 20 -1.540 -10.467 -11.647 148 HD1 HIS 20 HD1 HIS 20 -1.117 -12.754 -13.028 149 HD2 HIS 20 HD2 HIS 20 -1.275 -9.248 -15.243 150 HE1 HIS 20 HE1 HIS 20 -1.691 -13.472 -15.349 151 HE2 HIS 20 HE2 HIS 20 -1.847 -11.328 -16.677 152 HA PRO 21 HA PRO 21 -2.954 -6.893 -9.132 153 1HB PRO 21 1HB PRO 21 -5.645 -7.254 -9.495 154 2HB PRO 21 2HB PRO 21 -4.723 -5.930 -10.211 155 1HG PRO 21 1HG PRO 21 -5.966 -8.185 -11.523 156 2HG PRO 21 2HG PRO 21 -5.212 -6.757 -12.245 157 1HD PRO 21 1HD PRO 21 -4.119 -9.447 -11.872 158 2HD PRO 21 2HD PRO 21 -3.539 -8.122 -12.906 159 H ILE 22 H ILE 22 -2.704 -8.016 -7.296 160 HA ILE 22 HA ILE 22 -3.145 -10.787 -7.038 161 HB ILE 22 HB ILE 22 -2.917 -8.767 -4.795 162 1HG1 ILE 22 2HG1 ILE 22 -0.712 -10.441 -6.021 163 2HG1 ILE 22 1HG1 ILE 22 -1.028 -8.769 -6.489 164 1HG2 ILE 22 1HG2 ILE 22 -1.913 -11.515 -4.438 165 2HG2 ILE 22 2HG2 ILE 22 -3.666 -11.371 -4.573 166 3HG2 ILE 22 3HG2 ILE 22 -2.799 -10.478 -3.322 167 1HD1 ILE 22 1HD1 ILE 22 -0.006 -9.828 -3.882 168 2HD1 ILE 22 2HD1 ILE 22 -0.725 -8.222 -4.007 169 3HD1 ILE 22 3HD1 ILE 22 0.710 -8.623 -4.953 170 H SER 23 H SER 23 -4.893 -8.126 -5.385 171 HA SER 23 HA SER 23 -7.359 -9.681 -5.652 172 1HB SER 23 2HB SER 23 -6.367 -8.547 -3.028 173 2HB SER 23 1HB SER 23 -7.923 -9.333 -3.286 174 HG SER 23 HG SER 23 -6.562 -10.877 -2.498 175 H MET 24 H MET 24 -9.219 -8.538 -5.685 176 HA MET 24 HA MET 24 -9.040 -5.687 -6.221 177 1HB MET 24 2HB MET 24 -10.267 -7.175 -7.745 178 2HB MET 24 1HB MET 24 -11.331 -7.652 -6.433 179 1HG MET 24 2HG MET 24 -11.156 -4.768 -7.049 180 2HG MET 24 1HG MET 24 -11.961 -5.805 -8.218 181 1HE MET 24 1HE MET 24 -14.038 -3.492 -6.428 182 2HE MET 24 2HE MET 24 -15.170 -4.716 -7.004 183 3HE MET 24 3HE MET 24 -13.769 -4.280 -7.983 184 H ALA 25 H ALA 25 -9.417 -4.243 -4.644 185 HA ALA 25 HA ALA 25 -11.050 -5.099 -2.340 186 1HB ALA 25 1HB ALA 25 -9.300 -4.723 -1.041 187 2HB ALA 25 2HB ALA 25 -9.345 -3.022 -1.506 188 3HB ALA 25 3HB ALA 25 -8.357 -4.160 -2.421 189 H VAL 26 H VAL 26 -12.318 -3.597 -1.279 190 HA VAL 26 HA VAL 26 -13.114 -1.278 -2.929 191 HB VAL 26 HB VAL 26 -14.679 -2.601 -0.694 192 1HG1 VAL 26 1HG2 VAL 26 -16.487 -1.360 -2.316 193 2HG1 VAL 26 2HG2 VAL 26 -15.125 -0.243 -2.378 194 3HG1 VAL 26 3HG2 VAL 26 -15.836 -0.680 -0.824 195 1HG2 VAL 26 1HG1 VAL 26 -14.765 -4.277 -2.239 196 2HG2 VAL 26 2HG1 VAL 26 -14.501 -3.188 -3.600 197 3HG2 VAL 26 3HG1 VAL 26 -16.088 -3.276 -2.837 198 H ALA 27 H ALA 27 -13.206 0.793 -2.059 199 HA ALA 27 HA ALA 27 -11.585 1.269 0.294 200 1HB ALA 27 1HB ALA 27 -11.222 3.311 -0.553 201 2HB ALA 27 2HB ALA 27 -12.926 3.569 -0.933 202 3HB ALA 27 3HB ALA 27 -11.910 2.632 -2.028 203 H LEU 28 H LEU 28 -12.249 1.832 2.268 204 HA LEU 28 HA LEU 28 -15.132 2.020 2.753 205 1HB LEU 28 2HB LEU 28 -12.811 1.103 4.382 206 2HB LEU 28 1HB LEU 28 -14.220 1.730 5.214 207 HG LEU 28 HG LEU 28 -15.596 0.004 3.989 208 1HD1 LEU 28 1HD1 LEU 28 -14.237 -2.001 3.225 209 2HD1 LEU 28 2HD1 LEU 28 -12.859 -0.904 3.152 210 3HD1 LEU 28 3HD1 LEU 28 -14.276 -0.607 2.146 211 1HD2 LEU 28 1HD2 LEU 28 -13.544 -0.540 6.057 212 2HD2 LEU 28 2HD2 LEU 28 -14.412 -1.918 5.377 213 3HD2 LEU 28 3HD2 LEU 28 -15.304 -0.611 6.156 214 H GLN 29 H GLN 29 -12.314 3.998 2.777 215 HA GLN 29 HA GLN 29 -13.896 6.197 3.816 216 1HB GLN 29 1HB GLN 29 -12.138 6.865 5.467 217 2HB GLN 29 2HB GLN 29 -13.016 5.403 5.886 218 1HG GLN 29 2HG GLN 29 -11.158 4.037 5.160 219 2HG GLN 29 1HG GLN 29 -10.285 5.468 4.622 220 1HE2 GLN 29 1HE2 GLN 29 -11.669 6.616 7.296 221 2HE2 GLN 29 2HE2 GLN 29 -10.493 6.182 8.477 222 H ASP 30 H ASP 30 -12.320 8.229 4.020 223 HA ASP 30 HA ASP 30 -11.262 8.611 1.344 224 1HB ASP 30 2HB ASP 30 -11.647 10.556 3.629 225 2HB ASP 30 1HB ASP 30 -11.131 10.995 2.004 226 H TYR 31 H TYR 31 -9.223 9.493 0.879 227 HA TYR 31 HA TYR 31 -7.178 9.609 2.928 228 1HB TYR 31 2HB TYR 31 -7.280 7.180 2.114 229 2HB TYR 31 1HB TYR 31 -6.740 7.785 0.555 230 HD1 TYR 31 HD1 TYR 31 -4.474 7.817 0.105 231 HD2 TYR 31 HD2 TYR 31 -5.739 7.928 4.169 232 HE1 TYR 31 HE1 TYR 31 -2.129 7.714 0.835 233 HE2 TYR 31 HE2 TYR 31 -3.400 7.831 4.906 234 HH TYR 31 HH TYR 31 -0.919 6.887 3.030 235 H MET 32 H MET 32 -5.659 11.111 2.434 236 HA MET 32 HA MET 32 -5.756 12.298 -0.262 237 1HB MET 32 2HB MET 32 -4.952 13.530 2.378 238 2HB MET 32 1HB MET 32 -4.810 14.341 0.826 239 1HG MET 32 1HG MET 32 -7.252 14.127 0.544 240 2HG MET 32 2HG MET 32 -7.337 13.413 2.153 241 1HE MET 32 1HE MET 32 -8.877 17.072 2.251 242 2HE MET 32 2HE MET 32 -9.114 15.548 3.104 243 3HE MET 32 3HE MET 32 -9.092 15.577 1.341 244 H ALA 33 H ALA 33 -3.955 12.351 -1.490 245 HA ALA 33 HA ALA 33 -1.621 10.916 -0.533 246 1HB ALA 33 1HB ALA 33 -2.132 10.217 -2.654 247 2HB ALA 33 2HB ALA 33 -0.889 11.423 -2.986 248 3HB ALA 33 3HB ALA 33 -2.592 11.830 -3.195 249 HA PRO 34 HA PRO 34 0.366 14.931 0.276 250 1HB PRO 34 2HB PRO 34 2.400 13.449 1.709 251 2HB PRO 34 1HB PRO 34 1.196 14.566 2.351 252 1HG PRO 34 2HG PRO 34 1.169 11.903 2.855 253 2HG PRO 34 1HG PRO 34 -0.310 12.885 2.780 254 1HD PRO 34 2HD PRO 34 0.898 11.115 0.675 255 2HD PRO 34 1HD PRO 34 -0.792 11.253 1.196 256 H ASP 35 H ASP 35 2.488 12.082 -0.158 257 HA ASP 35 HA ASP 35 4.339 13.663 -1.752 258 1HB ASP 35 2HB ASP 35 5.080 12.116 0.100 259 2HB ASP 35 1HB ASP 35 4.587 10.770 -0.916 260 H CYS 36 H CYS 36 5.312 12.606 -3.669 261 HA CYS 36 HA CYS 36 3.491 12.292 -5.743 262 1HB CYS 36 2HB CYS 36 5.631 13.061 -6.298 263 2HB CYS 36 1HB CYS 36 6.429 11.749 -5.443 264 H ARG 37 H ARG 37 5.243 9.783 -3.913 265 HA ARG 37 HA ARG 37 4.258 7.687 -5.613 266 1HB ARG 37 2HB ARG 37 5.356 6.152 -4.007 267 2HB ARG 37 1HB ARG 37 6.421 7.386 -4.658 268 1HG ARG 37 2HG ARG 37 6.238 8.658 -2.589 269 2HG ARG 37 1HG ARG 37 5.140 7.441 -1.933 270 1HD ARG 37 2HD ARG 37 6.859 6.205 -1.261 271 2HD ARG 37 1HD ARG 37 7.483 6.137 -2.907 272 HE ARG 37 HE ARG 37 8.540 7.647 -0.759 273 1HH1 ARG 37 1HH1 ARG 37 8.075 7.823 -4.243 274 2HH1 ARG 37 2HH1 ARG 37 9.378 8.937 -4.469 275 1HH2 ARG 37 1HH2 ARG 37 10.242 9.097 -1.097 276 2HH2 ARG 37 2HH2 ARG 37 10.603 9.651 -2.697 277 H PHE 38 H PHE 38 2.557 9.414 -3.433 278 HA PHE 38 HA PHE 38 1.089 7.090 -2.391 279 1HB PHE 38 2HB PHE 38 1.180 9.979 -1.555 280 2HB PHE 38 1HB PHE 38 -0.137 8.934 -1.044 281 HD1 PHE 38 HD1 PHE 38 3.621 8.882 -1.122 282 HD2 PHE 38 HD2 PHE 38 0.055 7.941 1.004 283 HE1 PHE 38 HE1 PHE 38 4.965 8.085 0.774 284 HE2 PHE 38 HE2 PHE 38 1.397 7.142 2.902 285 HZ PHE 38 HZ PHE 38 3.854 7.212 2.790 286 H LEU 39 H LEU 39 -1.248 7.041 -2.510 287 HA LEU 39 HA LEU 39 -2.291 8.445 -4.892 288 1HB LEU 39 2HB LEU 39 -2.427 5.632 -4.040 289 2HB LEU 39 1HB LEU 39 -3.942 6.296 -4.614 290 HG LEU 39 HG LEU 39 -1.395 6.424 -6.228 291 1HD1 LEU 39 1HD1 LEU 39 -1.866 4.413 -7.234 292 2HD1 LEU 39 2HD1 LEU 39 -3.571 4.465 -6.787 293 3HD1 LEU 39 3HD1 LEU 39 -2.354 4.075 -5.573 294 1HD2 LEU 39 1HD2 LEU 39 -3.167 8.022 -6.831 295 2HD2 LEU 39 2HD2 LEU 39 -4.302 6.680 -7.003 296 3HD2 LEU 39 3HD2 LEU 39 -2.916 6.809 -8.088 297 H THR 40 H THR 40 -4.272 9.395 -4.836 298 HA THR 40 HA THR 40 -5.483 9.783 -2.209 299 HB THR 40 HB THR 40 -6.068 11.097 -4.882 300 HG1 THR 40 HG1 THR 40 -4.977 12.852 -3.975 301 1HG2 THR 40 1HG2 THR 40 -7.392 12.709 -3.774 302 2HG2 THR 40 2HG2 THR 40 -6.977 12.063 -2.185 303 3HG2 THR 40 3HG2 THR 40 -8.001 11.130 -3.277 304 H ILE 41 H ILE 41 -7.173 8.609 -1.567 305 HA ILE 41 HA ILE 41 -8.915 7.395 -3.618 306 HB ILE 41 HB ILE 41 -7.842 6.074 -1.111 307 1HG1 ILE 41 1HG1 ILE 41 -7.673 5.106 -3.968 308 2HG1 ILE 41 2HG1 ILE 41 -6.454 6.175 -3.277 309 1HG2 ILE 41 1HG2 ILE 41 -9.247 4.158 -2.547 310 2HG2 ILE 41 2HG2 ILE 41 -10.297 5.574 -2.593 311 3HG2 ILE 41 3HG2 ILE 41 -9.761 4.923 -1.044 312 1HD1 ILE 41 1HD1 ILE 41 -6.639 4.149 -1.422 313 2HD1 ILE 41 2HD1 ILE 41 -5.398 4.321 -2.663 314 3HD1 ILE 41 3HD1 ILE 41 -6.815 3.316 -2.967 315 H HIS 42 H HIS 42 -10.977 7.935 -3.416 316 HA HIS 42 HA HIS 42 -11.938 9.124 -0.939 317 1HB HIS 42 2HB HIS 42 -13.114 8.890 -3.706 318 2HB HIS 42 1HB HIS 42 -14.051 9.472 -2.337 319 HD1 HIS 42 HD1 HIS 42 -12.526 11.515 -1.000 320 HD2 HIS 42 HD2 HIS 42 -12.128 10.971 -5.100 321 HE1 HIS 42 HE1 HIS 42 -11.605 13.683 -1.879 322 HE2 HIS 42 HE2 HIS 42 -11.456 13.360 -4.373 323 H ARG 43 H ARG 43 -14.033 8.456 -0.064 324 HA ARG 43 HA ARG 43 -14.090 5.714 0.555 325 1HB ARG 43 2HB ARG 43 -14.919 7.524 2.031 326 2HB ARG 43 1HB ARG 43 -16.261 7.787 0.932 327 1HG ARG 43 1HG ARG 43 -17.078 5.535 1.401 328 2HG ARG 43 2HG ARG 43 -15.723 5.276 2.498 329 1HD ARG 43 2HD ARG 43 -16.507 7.226 3.827 330 2HD ARG 43 1HD ARG 43 -17.922 7.317 2.783 331 HE ARG 43 HE ARG 43 -17.486 5.502 4.936 332 1HH1 ARG 43 1HH1 ARG 43 -19.147 5.837 1.863 333 2HH1 ARG 43 2HH1 ARG 43 -20.329 4.631 2.240 334 1HH2 ARG 43 1HH2 ARG 43 -19.047 3.926 5.412 335 2HH2 ARG 43 2HH2 ARG 43 -20.274 3.550 4.248 336 H GLY 44 H GLY 44 -14.757 4.071 -0.669 337 1HA GLY 44 2HA GLY 44 -16.561 2.904 -1.724 338 2HA GLY 44 1HA GLY 44 -17.167 4.440 -2.315 339 H GLN 45 H GLN 45 -13.885 4.523 -2.861 340 HA GLN 45 HA GLN 45 -14.267 4.101 -5.674 341 1HB GLN 45 1HB GLN 45 -11.778 4.712 -4.073 342 2HB GLN 45 2HB GLN 45 -11.790 4.517 -5.818 343 1HG GLN 45 2HG GLN 45 -13.450 6.370 -5.947 344 2HG GLN 45 1HG GLN 45 -13.214 6.625 -4.220 345 1HE2 GLN 45 1HE2 GLN 45 -10.257 5.672 -5.425 346 2HE2 GLN 45 2HE2 GLN 45 -9.584 7.227 -5.729 347 H VAL 46 H VAL 46 -13.184 2.647 -7.022 348 HA VAL 46 HA VAL 46 -12.769 0.010 -5.836 349 HB VAL 46 HB VAL 46 -12.735 0.772 -8.768 350 1HG1 VAL 46 1HG1 VAL 46 -13.449 -1.705 -8.924 351 2HG1 VAL 46 2HG1 VAL 46 -12.795 -1.829 -7.291 352 3HG1 VAL 46 3HG1 VAL 46 -11.755 -1.321 -8.622 353 1HG2 VAL 46 1HG2 VAL 46 -14.897 1.284 -7.487 354 2HG2 VAL 46 2HG2 VAL 46 -15.085 -0.466 -7.379 355 3HG2 VAL 46 3HG2 VAL 46 -15.012 0.317 -8.959 356 H VAL 47 H VAL 47 -10.743 -0.499 -5.200 357 HA VAL 47 HA VAL 47 -8.504 0.555 -6.808 358 HB VAL 47 HB VAL 47 -8.375 0.054 -3.829 359 1HG1 VAL 47 1HG1 VAL 47 -6.512 1.733 -5.477 360 2HG1 VAL 47 2HG1 VAL 47 -6.275 -0.006 -5.291 361 3HG1 VAL 47 3HG1 VAL 47 -6.258 1.044 -3.874 362 1HG2 VAL 47 1HG2 VAL 47 -9.902 1.998 -4.747 363 2HG2 VAL 47 2HG2 VAL 47 -8.350 2.811 -4.957 364 3HG2 VAL 47 3HG2 VAL 47 -8.843 2.247 -3.359 365 H TYR 48 H TYR 48 -7.230 -0.898 -7.681 366 HA TYR 48 HA TYR 48 -7.416 -3.694 -6.853 367 1HB TYR 48 2HB TYR 48 -6.316 -2.340 -9.316 368 2HB TYR 48 1HB TYR 48 -5.970 -4.023 -8.965 369 HD1 TYR 48 HD1 TYR 48 -7.144 -5.411 -10.344 370 HD2 TYR 48 HD2 TYR 48 -9.118 -1.945 -8.861 371 HE1 TYR 48 HE1 TYR 48 -9.200 -6.089 -11.505 372 HE2 TYR 48 HE2 TYR 48 -11.176 -2.621 -10.014 373 HH TYR 48 HH TYR 48 -11.561 -4.264 -12.285 374 H VAL 49 H VAL 49 -5.858 -4.672 -5.722 375 HA VAL 49 HA VAL 49 -3.449 -3.181 -5.042 376 HB VAL 49 HB VAL 49 -4.331 -5.890 -4.012 377 1HG1 VAL 49 1HG1 VAL 49 -2.882 -4.957 -2.020 378 2HG1 VAL 49 2HG1 VAL 49 -2.126 -4.017 -3.307 379 3HG1 VAL 49 3HG1 VAL 49 -2.130 -5.779 -3.388 380 1HG2 VAL 49 1HG2 VAL 49 -5.319 -4.804 -2.134 381 2HG2 VAL 49 2HG2 VAL 49 -5.978 -4.047 -3.584 382 3HG2 VAL 49 3HG2 VAL 49 -4.722 -3.228 -2.656 383 H PHE 50 H PHE 50 -1.594 -3.458 -6.107 384 HA PHE 50 HA PHE 50 -1.271 -5.828 -7.799 385 1HB PHE 50 2HB PHE 50 -0.062 -3.081 -7.873 386 2HB PHE 50 1HB PHE 50 0.703 -4.420 -8.722 387 HD1 PHE 50 HD1 PHE 50 -2.607 -2.701 -8.419 388 HD2 PHE 50 HD2 PHE 50 0.087 -4.893 -10.882 389 HE1 PHE 50 HE1 PHE 50 -4.098 -2.363 -10.345 390 HE2 PHE 50 HE2 PHE 50 -1.401 -4.556 -12.811 391 HZ PHE 50 HZ PHE 50 -3.496 -3.290 -12.545 392 H SER 51 H SER 51 0.271 -4.096 -5.149 393 HA SER 51 HA SER 51 1.920 -6.451 -4.645 394 1HB SER 51 2HB SER 51 3.946 -5.063 -4.294 395 2HB SER 51 1HB SER 51 3.397 -5.050 -5.968 396 HG SER 51 HG SER 51 2.411 -3.026 -5.541 397 H LYS 52 H LYS 52 2.506 -6.772 -2.526 398 HA LYS 52 HA LYS 52 1.379 -4.869 -0.564 399 1HB LYS 52 2HB LYS 52 1.686 -7.851 -0.147 400 2HB LYS 52 1HB LYS 52 0.877 -6.710 0.909 401 1HG LYS 52 1HG LYS 52 -0.850 -6.349 -0.754 402 2HG LYS 52 2HG LYS 52 -0.028 -7.445 -1.867 403 1HD LYS 52 1HD LYS 52 -0.334 -9.283 -0.278 404 2HD LYS 52 2HD LYS 52 -1.158 -8.186 0.833 405 1HE LYS 52 2HE LYS 52 -2.899 -7.796 -0.841 406 2HE LYS 52 1HE LYS 52 -2.075 -8.894 -1.953 407 1HZ LYS 52 1HZ LYS 52 -3.844 -10.059 -0.876 408 2HZ LYS 52 2HZ LYS 52 -3.299 -9.602 0.658 409 3HZ LYS 52 3HZ LYS 52 -2.382 -10.667 -0.281 410 H LEU 53 H LEU 53 2.926 -3.853 0.572 411 HA LEU 53 HA LEU 53 5.641 -4.820 0.520 412 1HB LEU 53 1HB LEU 53 4.506 -2.492 2.073 413 2HB LEU 53 2HB LEU 53 6.197 -2.784 1.706 414 HG LEU 53 HG LEU 53 4.100 -2.232 -0.398 415 1HD1 LEU 53 1HD2 LEU 53 4.433 -0.012 -0.225 416 2HD1 LEU 53 2HD2 LEU 53 6.123 -0.191 0.249 417 3HD1 LEU 53 3HD2 LEU 53 4.843 -0.420 1.441 418 1HD2 LEU 53 1HD1 LEU 53 6.847 -3.075 -0.507 419 2HD2 LEU 53 2HD1 LEU 53 6.654 -1.494 -1.265 420 3HD2 LEU 53 3HD1 LEU 53 5.686 -2.862 -1.818 421 H LYS 54 H LYS 54 6.868 -5.624 2.178 422 HA LYS 54 HA LYS 54 5.557 -6.081 4.775 423 1HB LYS 54 1HB LYS 54 7.072 -8.160 3.185 424 2HB LYS 54 2HB LYS 54 6.565 -8.357 4.853 425 1HG LYS 54 2HG LYS 54 4.228 -8.164 4.156 426 2HG LYS 54 1HG LYS 54 4.754 -8.006 2.479 427 1HD LYS 54 1HD LYS 54 4.229 -10.258 2.638 428 2HD LYS 54 2HD LYS 54 5.971 -10.247 2.889 429 1HE LYS 54 1HE LYS 54 4.007 -10.208 5.166 430 2HE LYS 54 2HE LYS 54 4.605 -11.706 4.456 431 1HZ LYS 54 1HZ LYS 54 6.901 -10.546 4.919 432 2HZ LYS 54 2HZ LYS 54 6.103 -11.428 6.120 433 3HZ LYS 54 3HZ LYS 54 6.004 -9.740 6.106 434 H GLY 55 H GLY 55 7.294 -7.062 6.346 435 1HA GLY 55 2HA GLY 55 9.458 -7.014 7.241 436 2HA GLY 55 1HA GLY 55 9.975 -6.025 5.884 437 H ARG 56 H ARG 56 9.971 -3.834 6.055 438 HA ARG 56 HA ARG 56 9.831 -2.739 8.712 439 1HB ARG 56 1HB ARG 56 10.401 -1.409 6.055 440 2HB ARG 56 2HB ARG 56 10.578 -0.640 7.625 441 1HG ARG 56 1HG ARG 56 12.100 -3.101 6.807 442 2HG ARG 56 2HG ARG 56 12.700 -1.457 6.586 443 1HD ARG 56 2HD ARG 56 12.518 -1.083 9.011 444 2HD ARG 56 1HD ARG 56 11.963 -2.742 9.215 445 HE ARG 56 HE ARG 56 14.653 -1.860 8.906 446 1HH1 ARG 56 1HH1 ARG 56 12.531 -4.582 8.255 447 2HH1 ARG 56 2HH1 ARG 56 13.832 -5.722 8.184 448 1HH2 ARG 56 1HH2 ARG 56 16.338 -3.374 8.810 449 2HH2 ARG 56 2HH2 ARG 56 15.984 -5.041 8.498 450 H GLY 57 H GLY 57 7.710 -2.941 6.012 451 1HA GLY 57 1HA GLY 57 5.730 -1.337 7.458 452 2HA GLY 57 2HA GLY 57 6.100 -0.890 5.799 453 H ARG 58 H ARG 58 5.211 -3.749 7.723 454 HA ARG 58 HA ARG 58 4.077 -5.122 5.499 455 1HB ARG 58 1HB ARG 58 3.284 -6.749 7.184 456 2HB ARG 58 2HB ARG 58 4.997 -6.402 7.321 457 1HG ARG 58 1HG ARG 58 4.562 -6.200 9.500 458 2HG ARG 58 2HG ARG 58 3.927 -4.616 9.064 459 1HD ARG 58 2HD ARG 58 2.330 -5.781 10.455 460 2HD ARG 58 1HD ARG 58 1.685 -5.590 8.826 461 HE ARG 58 HE ARG 58 2.962 -8.076 8.986 462 1HH1 ARG 58 1HH1 ARG 58 0.119 -6.482 10.284 463 2HH1 ARG 58 2HH1 ARG 58 -0.768 -7.957 10.461 464 1HH2 ARG 58 1HH2 ARG 58 1.780 -10.000 9.224 465 2HH2 ARG 58 2HH2 ARG 58 0.171 -9.948 9.862 466 H LEU 59 H LEU 59 2.939 -2.532 7.255 467 HA LEU 59 HA LEU 59 0.121 -3.267 6.995 468 1HB LEU 59 2HB LEU 59 1.390 -0.817 8.231 469 2HB LEU 59 1HB LEU 59 -0.327 -1.162 8.211 470 HG LEU 59 HG LEU 59 0.474 -3.375 9.453 471 1HD1 LEU 59 1HD1 LEU 59 2.895 -2.398 9.209 472 2HD1 LEU 59 2HD1 LEU 59 2.402 -3.233 10.683 473 3HD1 LEU 59 3HD1 LEU 59 2.434 -1.469 10.635 474 1HD2 LEU 59 1HD2 LEU 59 -0.970 -2.355 10.807 475 2HD2 LEU 59 2HD2 LEU 59 -0.447 -0.751 10.291 476 3HD2 LEU 59 3HD2 LEU 59 0.435 -1.601 11.560 477 H PHE 60 H PHE 60 2.510 -1.807 5.173 478 HA PHE 60 HA PHE 60 0.645 0.002 3.816 479 1HB PHE 60 2HB PHE 60 3.648 -0.158 3.862 480 2HB PHE 60 1HB PHE 60 2.806 0.742 2.607 481 HD1 PHE 60 HD1 PHE 60 2.868 0.456 6.347 482 HD2 PHE 60 HD2 PHE 60 2.446 2.976 2.942 483 HE1 PHE 60 HE1 PHE 60 2.745 2.421 7.820 484 HE2 PHE 60 HE2 PHE 60 2.323 4.943 4.411 485 HZ PHE 60 HZ PHE 60 2.472 4.669 6.853 486 H TRP 61 H TRP 61 -0.055 -0.299 1.833 487 HA TRP 61 HA TRP 61 0.972 -2.591 0.296 488 1HB TRP 61 1HB TRP 61 -1.841 -1.606 0.728 489 2HB TRP 61 2HB TRP 61 -1.434 -2.573 -0.683 490 HD1 TRP 61 HD1 TRP 61 0.658 -4.127 1.778 491 HE1 TRP 61 HE1 TRP 61 -0.483 -6.124 2.917 492 HE3 TRP 61 HE3 TRP 61 -4.189 -3.153 0.468 493 HZ2 TRP 61 HZ2 TRP 61 -3.090 -7.141 3.249 494 HZ3 TRP 61 HZ3 TRP 61 -5.943 -4.686 1.248 495 HH2 TRP 61 HH2 TRP 61 -5.408 -6.637 2.606 496 H GLY 62 H GLY 62 -0.105 -2.279 -2.102 497 1HA GLY 62 2HA GLY 62 0.041 0.451 -3.050 498 2HA GLY 62 1HA GLY 62 1.447 -0.554 -3.504 499 H GLY 63 H GLY 63 -0.311 0.635 -5.349 500 1HA GLY 63 2HA GLY 63 -0.732 -1.301 -7.214 501 2HA GLY 63 1HA GLY 63 -2.220 -1.301 -6.278 502 H SER 64 H SER 64 -3.397 -0.632 -8.099 503 HA SER 64 HA SER 64 -3.082 2.224 -8.749 504 1HB SER 64 1HB SER 64 -2.362 0.822 -10.652 505 2HB SER 64 2HB SER 64 -3.937 0.028 -10.653 506 HG SER 64 HG SER 64 -3.416 2.014 -12.073 507 H VAL 65 H VAL 65 -5.100 3.282 -9.440 508 HA VAL 65 HA VAL 65 -7.439 2.082 -8.103 509 HB VAL 65 HB VAL 65 -6.909 5.024 -8.593 510 1HG1 VAL 65 1HG2 VAL 65 -8.829 4.338 -6.528 511 2HG1 VAL 65 2HG2 VAL 65 -9.314 3.735 -8.112 512 3HG1 VAL 65 3HG2 VAL 65 -8.982 5.453 -7.886 513 1HG2 VAL 65 1HG1 VAL 65 -6.744 3.503 -5.995 514 2HG2 VAL 65 2HG1 VAL 65 -6.415 5.216 -6.244 515 3HG2 VAL 65 3HG1 VAL 65 -5.351 4.002 -6.954 516 H GLN 66 H GLN 66 -9.069 1.483 -9.348 517 HA GLN 66 HA GLN 66 -9.208 2.403 -12.119 518 1HB GLN 66 2HB GLN 66 -9.320 -0.017 -11.716 519 2HB GLN 66 1HB GLN 66 -10.727 0.210 -10.688 520 1HG GLN 66 2HG GLN 66 -12.024 0.991 -12.577 521 2HG GLN 66 1HG GLN 66 -10.614 0.860 -13.627 522 1HE2 GLN 66 1HE2 GLN 66 -10.533 -0.900 -14.814 523 2HE2 GLN 66 2HE2 GLN 66 -11.274 -2.417 -14.447 524 H GLY 67 H GLY 67 -10.782 3.695 -12.894 525 1HA GLY 67 1HA GLY 67 -13.311 4.133 -12.489 526 2HA GLY 67 2HA GLY 67 -12.719 4.759 -10.958 527 H ASP 68 H ASP 68 -10.553 6.174 -11.550 528 HA ASP 68 HA ASP 68 -11.570 8.270 -13.349 529 1HB ASP 68 2HB ASP 68 -9.670 8.449 -11.001 530 2HB ASP 68 1HB ASP 68 -10.065 9.797 -12.057 531 H TYR 69 H TYR 69 -10.594 8.425 -15.254 532 HA TYR 69 HA TYR 69 -7.740 7.714 -15.436 533 1HB TYR 69 2HB TYR 69 -9.965 7.164 -17.399 534 2HB TYR 69 1HB TYR 69 -8.272 7.130 -17.872 535 HD1 TYR 69 HD1 TYR 69 -7.020 5.183 -17.607 536 HD2 TYR 69 HD2 TYR 69 -10.694 5.567 -15.492 537 HE1 TYR 69 HE1 TYR 69 -6.862 2.831 -16.912 538 HE2 TYR 69 HE2 TYR 69 -10.538 3.218 -14.786 539 HH TYR 69 HH TYR 69 -9.042 1.010 -16.064 540 H TYR 70 H TYR 70 -10.116 9.304 -17.560 541 HA TYR 70 HA TYR 70 -9.840 11.014 -19.047 542 1HB TYR 70 1HB TYR 70 -9.686 13.241 -17.814 543 2HB TYR 70 2HB TYR 70 -11.002 12.164 -17.383 544 HD1 TYR 70 HD1 TYR 70 -11.369 11.564 -15.165 545 HD2 TYR 70 HD2 TYR 70 -7.640 13.318 -16.230 546 HE1 TYR 70 HE1 TYR 70 -10.795 11.780 -12.786 547 HE2 TYR 70 HE2 TYR 70 -7.055 13.529 -13.853 548 HH TYR 70 HH TYR 70 -9.030 13.537 -11.466 549 H GLY 71 H GLY 71 -7.525 9.669 -19.268 550 1HA GLY 71 2HA GLY 71 -5.803 10.939 -20.724 551 2HA GLY 71 1HA GLY 71 -5.382 11.685 -19.190 552 H ASP 72 H ASP 72 -4.565 10.314 -17.486 553 HA ASP 72 HA ASP 72 -3.498 7.752 -18.409 554 1HB ASP 72 2HB ASP 72 -1.350 8.337 -17.114 555 2HB ASP 72 1HB ASP 72 -1.585 9.055 -18.699 556 H LEU 73 H LEU 73 -2.679 9.280 -15.330 557 HA LEU 73 HA LEU 73 -3.056 8.767 -13.178 558 1HB LEU 73 2HB LEU 73 -5.471 9.145 -14.031 559 2HB LEU 73 1HB LEU 73 -5.630 7.406 -13.948 560 HG LEU 73 HG LEU 73 -6.574 8.682 -12.001 561 1HD1 LEU 73 1HD2 LEU 73 -5.710 7.153 -10.277 562 2HD1 LEU 73 2HD2 LEU 73 -4.451 6.637 -11.400 563 3HD1 LEU 73 3HD2 LEU 73 -6.147 6.331 -11.776 564 1HD2 LEU 73 1HD1 LEU 73 -5.379 10.008 -10.660 565 2HD2 LEU 73 2HD1 LEU 73 -4.253 10.083 -12.016 566 3HD2 LEU 73 3HD1 LEU 73 -3.968 8.949 -10.696 567 H ALA 74 H ALA 74 -4.669 5.880 -14.538 568 HA ALA 74 HA ALA 74 -3.125 4.159 -12.835 569 1HB ALA 74 1HB ALA 74 -4.919 3.213 -15.045 570 2HB ALA 74 2HB ALA 74 -5.575 3.878 -13.549 571 3HB ALA 74 3HB ALA 74 -4.554 2.440 -13.502 572 H ALA 75 H ALA 75 -1.003 4.730 -13.685 573 HA ALA 75 HA ALA 75 -0.049 2.808 -15.573 574 1HB ALA 75 1HB ALA 75 0.984 4.566 -17.098 575 2HB ALA 75 2HB ALA 75 -0.178 5.695 -16.402 576 3HB ALA 75 3HB ALA 75 -0.746 4.273 -17.278 577 H ARG 76 H ARG 76 0.401 5.268 -13.236 578 HA ARG 76 HA ARG 76 3.302 4.830 -13.231 579 1HB ARG 76 2HB ARG 76 3.470 6.950 -11.974 580 2HB ARG 76 1HB ARG 76 2.721 7.159 -13.549 581 1HG ARG 76 2HG ARG 76 0.495 7.102 -12.415 582 2HG ARG 76 1HG ARG 76 1.347 7.103 -10.871 583 1HD ARG 76 2HD ARG 76 1.530 9.232 -13.001 584 2HD ARG 76 1HD ARG 76 0.622 9.350 -11.495 585 HE ARG 76 HE ARG 76 3.282 8.775 -10.862 586 1HH1 ARG 76 1HH1 ARG 76 1.422 11.406 -12.252 587 2HH1 ARG 76 2HH1 ARG 76 2.524 12.624 -11.707 588 1HH2 ARG 76 1HH2 ARG 76 4.716 10.389 -10.159 589 2HH2 ARG 76 2HH2 ARG 76 4.386 12.050 -10.523 590 H LEU 77 H LEU 77 0.547 3.959 -11.652 591 HA LEU 77 HA LEU 77 0.032 2.882 -9.727 592 1HB LEU 77 1HB LEU 77 2.999 2.366 -9.782 593 2HB LEU 77 2HB LEU 77 1.950 1.689 -8.553 594 HG LEU 77 HG LEU 77 1.518 1.204 -11.502 595 1HD1 LEU 77 1HD1 LEU 77 3.652 0.254 -9.910 596 2HD1 LEU 77 2HD1 LEU 77 3.200 -0.241 -11.541 597 3HD1 LEU 77 3HD1 LEU 77 2.530 -1.087 -10.144 598 1HD2 LEU 77 1HD2 LEU 77 -0.426 0.785 -10.134 599 2HD2 LEU 77 2HD2 LEU 77 0.536 -0.171 -9.004 600 3HD2 LEU 77 3HD2 LEU 77 0.267 -0.753 -10.649 601 H GLY 78 H GLY 78 0.670 2.682 -7.274 602 1HA GLY 78 1HA GLY 78 1.992 4.909 -6.063 603 2HA GLY 78 2HA GLY 78 0.246 5.116 -6.045 604 H TYR 79 H TYR 79 0.976 5.091 -3.624 605 HA TYR 79 HA TYR 79 0.660 2.323 -2.666 606 1HB TYR 79 2HB TYR 79 2.345 4.458 -1.331 607 2HB TYR 79 1HB TYR 79 2.093 2.818 -0.739 608 HD1 TYR 79 HD1 TYR 79 4.444 4.807 -2.179 609 HD2 TYR 79 HD2 TYR 79 2.624 1.014 -2.822 610 HE1 TYR 79 HE1 TYR 79 6.414 4.084 -3.454 611 HE2 TYR 79 HE2 TYR 79 4.587 0.281 -4.106 612 HH TYR 79 HH TYR 79 6.563 1.865 -5.511 613 H PHE 80 H PHE 80 -0.481 2.031 -0.722 614 HA PHE 80 HA PHE 80 -1.845 4.255 0.524 615 1HB PHE 80 2HB PHE 80 -4.126 3.244 0.085 616 2HB PHE 80 1HB PHE 80 -3.351 3.968 -1.320 617 HD1 PHE 80 HD1 PHE 80 -4.283 0.769 0.284 618 HD2 PHE 80 HD2 PHE 80 -2.779 2.661 -3.222 619 HE1 PHE 80 HE1 PHE 80 -4.593 -1.321 -0.974 620 HE2 PHE 80 HE2 PHE 80 -3.088 0.573 -4.481 621 HZ PHE 80 HZ PHE 80 -3.995 -1.420 -3.359 622 HA PRO 81 HA PRO 81 -1.607 1.434 3.982 623 1HB PRO 81 2HB PRO 81 -3.946 2.659 5.235 624 2HB PRO 81 1HB PRO 81 -2.253 2.737 5.726 625 1HG PRO 81 2HG PRO 81 -3.573 4.882 4.746 626 2HG PRO 81 1HG PRO 81 -1.838 4.621 4.474 627 1HD PRO 81 2HD PRO 81 -4.146 4.077 2.636 628 2HD PRO 81 1HD PRO 81 -2.575 4.829 2.278 629 H SER 82 H SER 82 -2.440 -0.505 4.607 630 HA SER 82 HA SER 82 -4.503 -1.702 3.103 631 1HB SER 82 2HB SER 82 -4.186 -3.637 4.571 632 2HB SER 82 1HB SER 82 -2.627 -2.953 4.115 633 HG SER 82 HG SER 82 -2.895 -3.467 6.397 634 H SER 83 H SER 83 -4.517 0.025 6.102 635 HA SER 83 HA SER 83 -6.904 -0.955 7.218 636 1HB SER 83 2HB SER 83 -6.822 1.071 8.632 637 2HB SER 83 1HB SER 83 -5.269 0.240 8.552 638 HG SER 83 HG SER 83 -4.557 2.141 8.005 639 H ILE 84 H ILE 84 -6.494 1.163 4.505 640 HA ILE 84 HA ILE 84 -9.164 2.294 4.925 641 HB ILE 84 HB ILE 84 -8.772 3.814 3.122 642 1HG1 ILE 84 1HG1 ILE 84 -6.006 2.679 2.749 643 2HG1 ILE 84 2HG1 ILE 84 -7.375 2.131 1.778 644 1HG2 ILE 84 1HG2 ILE 84 -7.484 5.203 4.336 645 2HG2 ILE 84 2HG2 ILE 84 -6.161 4.044 4.464 646 3HG2 ILE 84 3HG2 ILE 84 -7.563 3.903 5.525 647 1HD1 ILE 84 1HD1 ILE 84 -7.491 4.885 1.633 648 2HD1 ILE 84 2HD1 ILE 84 -6.901 3.783 0.389 649 3HD1 ILE 84 3HD1 ILE 84 -5.771 4.511 1.530 650 H VAL 85 H VAL 85 -7.935 -0.444 3.487 651 HA VAL 85 HA VAL 85 -10.251 -0.538 1.660 652 HB VAL 85 HB VAL 85 -8.996 -1.923 0.080 653 1HG1 VAL 85 1HG1 VAL 85 -8.129 0.838 0.721 654 2HG1 VAL 85 2HG1 VAL 85 -8.924 0.201 -0.718 655 3HG1 VAL 85 3HG1 VAL 85 -7.197 -0.058 -0.478 656 1HG2 VAL 85 1HG2 VAL 85 -7.274 -3.055 0.994 657 2HG2 VAL 85 2HG2 VAL 85 -6.929 -1.787 2.174 658 3HG2 VAL 85 3HG2 VAL 85 -6.350 -1.627 0.515 659 H ARG 86 H ARG 86 -10.929 -2.738 1.067 660 HA ARG 86 HA ARG 86 -10.362 -4.760 3.117 661 1HB ARG 86 2HB ARG 86 -12.444 -3.525 3.714 662 2HB ARG 86 1HB ARG 86 -13.148 -4.061 2.194 663 1HG ARG 86 1HG ARG 86 -13.355 -6.235 2.894 664 2HG ARG 86 2HG ARG 86 -12.046 -6.094 4.072 665 1HD ARG 86 2HD ARG 86 -13.446 -4.668 5.457 666 2HD ARG 86 1HD ARG 86 -14.762 -4.809 4.291 667 HE ARG 86 HE ARG 86 -13.986 -7.383 5.081 668 1HH1 ARG 86 1HH1 ARG 86 -15.564 -4.562 6.442 669 2HH1 ARG 86 2HH1 ARG 86 -16.487 -5.485 7.579 670 1HH2 ARG 86 1HH2 ARG 86 -15.206 -8.575 6.579 671 2HH2 ARG 86 2HH2 ARG 86 -16.284 -7.755 7.657 672 H GLU 87 H GLU 87 -9.637 -6.489 2.089 673 HA GLU 87 HA GLU 87 -10.298 -6.939 -0.706 674 1HB GLU 87 1HB GLU 87 -8.423 -8.432 1.134 675 2HB GLU 87 2HB GLU 87 -8.599 -8.728 -0.589 676 1HG GLU 87 1HG GLU 87 -7.885 -6.341 -0.947 677 2HG GLU 87 2HG GLU 87 -7.476 -6.299 0.766 678 H ASP 88 H ASP 88 -11.827 -8.266 -1.370 679 HA ASP 88 HA ASP 88 -12.709 -10.449 0.400 680 1HB ASP 88 1HB ASP 88 -14.455 -8.671 -1.323 681 2HB ASP 88 2HB ASP 88 -15.017 -10.112 -0.482 682 H GLN 89 H GLN 89 -11.939 -9.316 -2.778 683 HA GLN 89 HA GLN 89 -12.349 -12.038 -3.853 684 1HB GLN 89 2HB GLN 89 -13.961 -10.650 -4.886 685 2HB GLN 89 1HB GLN 89 -12.806 -9.350 -5.120 686 1HG GLN 89 1HG GLN 89 -13.426 -10.501 -7.199 687 2HG GLN 89 2HG GLN 89 -11.704 -10.563 -6.854 688 1HE2 GLN 89 1HE2 GLN 89 -10.907 -12.346 -7.558 689 2HE2 GLN 89 2HE2 GLN 89 -11.566 -13.926 -7.374 690 H THR 90 H THR 90 -10.600 -13.055 -4.583 691 HA THR 90 HA THR 90 -8.134 -11.502 -5.064 692 HB THR 90 HB THR 90 -8.401 -14.443 -4.406 693 HG1 THR 90 HG1 THR 90 -7.422 -12.437 -2.687 694 1HG2 THR 90 1HG2 THR 90 -6.336 -14.255 -5.453 695 2HG2 THR 90 2HG2 THR 90 -5.962 -14.122 -3.734 696 3HG2 THR 90 3HG2 THR 90 -6.016 -12.674 -4.739 697 H LEU 91 H LEU 91 -7.611 -11.277 -7.143 698 HA LEU 91 HA LEU 91 -8.932 -12.874 -9.165 699 1HB LEU 91 1HB LEU 91 -6.823 -10.806 -9.706 700 2HB LEU 91 2HB LEU 91 -8.166 -11.288 -10.720 701 HG LEU 91 HG LEU 91 -8.493 -9.773 -8.127 702 1HD1 LEU 91 1HD2 LEU 91 -8.402 -8.732 -10.949 703 2HD1 LEU 91 2HD2 LEU 91 -7.226 -8.418 -9.673 704 3HD1 LEU 91 3HD2 LEU 91 -8.871 -7.797 -9.528 705 1HD2 LEU 91 1HD1 LEU 91 -10.671 -9.176 -9.530 706 2HD2 LEU 91 2HD1 LEU 91 -10.581 -10.577 -8.459 707 3HD2 LEU 91 3HD1 LEU 91 -10.351 -10.779 -10.197 708 H LYS 92 H LYS 92 -5.854 -12.768 -7.637 709 HA LYS 92 HA LYS 92 -4.986 -15.196 -8.847 710 1HB LYS 92 2HB LYS 92 -3.985 -12.689 -10.023 711 2HB LYS 92 1HB LYS 92 -2.714 -13.789 -9.512 712 1HG LYS 92 1HG LYS 92 -4.047 -15.579 -10.815 713 2HG LYS 92 2HG LYS 92 -4.843 -14.202 -11.576 714 1HD LYS 92 2HD LYS 92 -3.010 -14.900 -12.971 715 2HD LYS 92 1HD LYS 92 -2.603 -13.346 -12.255 716 1HE LYS 92 2HE LYS 92 -1.235 -14.464 -10.580 717 2HE LYS 92 1HE LYS 92 -1.671 -16.035 -11.249 718 1HZ LYS 92 1HZ LYS 92 0.040 -15.850 -12.621 719 2HZ LYS 92 2HZ LYS 92 0.391 -14.296 -12.052 720 3HZ LYS 92 3HZ LYS 92 -0.681 -14.500 -13.344 721 HA PRO 93 HA PRO 93 -2.872 -15.464 -4.924 722 1HB PRO 93 1HB PRO 93 -0.883 -17.161 -6.323 723 2HB PRO 93 2HB PRO 93 -1.874 -17.524 -4.915 724 1HG PRO 93 1HG PRO 93 -2.424 -18.611 -7.275 725 2HG PRO 93 2HG PRO 93 -3.728 -18.076 -6.196 726 1HD PRO 93 2HD PRO 93 -2.610 -16.734 -8.630 727 2HD PRO 93 1HD PRO 93 -4.294 -16.895 -8.103 728 H GLY 94 H GLY 94 -1.476 -14.137 -3.975 729 1HA GLY 94 1HA GLY 94 0.696 -12.948 -5.567 730 2HA GLY 94 2HA GLY 94 0.050 -12.301 -4.062 731 H LYS 95 H LYS 95 1.873 -14.968 -5.435 732 HA LYS 95 HA LYS 95 3.252 -15.289 -2.866 733 1HB LYS 95 1HB LYS 95 3.595 -17.721 -3.721 734 2HB LYS 95 2HB LYS 95 2.064 -17.254 -2.996 735 1HG LYS 95 2HG LYS 95 1.024 -17.056 -5.134 736 2HG LYS 95 1HG LYS 95 2.572 -17.286 -5.958 737 1HD LYS 95 2HD LYS 95 2.700 -19.560 -4.984 738 2HD LYS 95 1HD LYS 95 1.103 -19.311 -4.273 739 1HE LYS 95 2HE LYS 95 0.155 -19.011 -6.506 740 2HE LYS 95 1HE LYS 95 1.750 -19.257 -7.218 741 1HZ LYS 95 1HZ LYS 95 0.023 -21.211 -6.969 742 2HZ LYS 95 2HZ LYS 95 0.728 -21.336 -5.437 743 3HZ LYS 95 3HZ LYS 95 1.687 -21.476 -6.822 744 H VAL 96 H VAL 96 4.131 -13.554 -5.014 745 HA VAL 96 HA VAL 96 6.688 -14.882 -5.669 746 HB VAL 96 HB VAL 96 5.319 -12.764 -7.352 747 1HG1 VAL 96 1HG1 VAL 96 7.844 -14.338 -7.873 748 2HG1 VAL 96 2HG1 VAL 96 7.765 -12.630 -7.447 749 3HG1 VAL 96 3HG1 VAL 96 7.098 -13.186 -8.983 750 1HG2 VAL 96 1HG2 VAL 96 4.673 -15.428 -7.237 751 2HG2 VAL 96 2HG2 VAL 96 5.827 -15.369 -8.569 752 3HG2 VAL 96 3HG2 VAL 96 4.381 -14.361 -8.611 753 H ASP 97 H ASP 97 8.191 -14.083 -4.360 754 HA ASP 97 HA ASP 97 7.972 -11.442 -3.218 755 1HB ASP 97 2HB ASP 97 8.798 -13.446 -1.956 756 2HB ASP 97 1HB ASP 97 10.243 -13.423 -2.957 757 H VAL 98 H VAL 98 8.597 -9.689 -4.252 758 HA VAL 98 HA VAL 98 10.993 -9.788 -5.973 759 HB VAL 98 HB VAL 98 8.614 -7.958 -6.404 760 1HG1 VAL 98 1HG1 VAL 98 10.658 -7.017 -7.254 761 2HG1 VAL 98 2HG1 VAL 98 9.678 -7.572 -8.611 762 3HG1 VAL 98 3HG1 VAL 98 11.060 -8.526 -8.075 763 1HG2 VAL 98 1HG2 VAL 98 8.754 -10.696 -6.990 764 2HG2 VAL 98 2HG2 VAL 98 9.007 -9.860 -8.522 765 3HG2 VAL 98 3HG2 VAL 98 7.561 -9.530 -7.568 766 H LYS 99 H LYS 99 12.595 -8.519 -5.257 767 HA LYS 99 HA LYS 99 12.126 -6.668 -3.093 768 1HB LYS 99 1HB LYS 99 14.609 -6.318 -3.190 769 2HB LYS 99 2HB LYS 99 14.114 -7.978 -2.923 770 1HG LYS 99 2HG LYS 99 15.728 -8.334 -4.454 771 2HG LYS 99 1HG LYS 99 14.378 -8.085 -5.554 772 1HD LYS 99 2HD LYS 99 15.035 -5.741 -5.827 773 2HD LYS 99 1HD LYS 99 16.384 -5.992 -4.719 774 1HE LYS 99 2HE LYS 99 15.988 -7.412 -7.351 775 2HE LYS 99 1HE LYS 99 17.086 -6.061 -7.075 776 1HZ LYS 99 1HZ LYS 99 18.504 -7.804 -6.814 777 2HZ LYS 99 2HZ LYS 99 17.317 -8.851 -6.216 778 3HZ LYS 99 3HZ LYS 99 17.975 -7.659 -5.213 779 H THR 100 H THR 100 13.183 -4.454 -3.165 780 HA THR 100 HA THR 100 12.313 -3.108 -5.619 781 HB THR 100 HB THR 100 12.389 -1.041 -4.256 782 HG1 THR 100 HG1 THR 100 13.884 -1.400 -2.725 783 1HG2 THR 100 1HG2 THR 100 10.666 -1.745 -2.503 784 2HG2 THR 100 2HG2 THR 100 10.781 -3.345 -3.235 785 3HG2 THR 100 3HG2 THR 100 10.262 -1.967 -4.205 786 H ASP 101 H ASP 101 13.597 -1.220 -6.375 787 HA ASP 101 HA ASP 101 16.482 -1.683 -6.033 788 1HB ASP 101 1HB ASP 101 16.730 -0.954 -8.432 789 2HB ASP 101 2HB ASP 101 15.919 -2.498 -8.202 790 H LYS 102 H LYS 102 17.469 0.413 -7.496 791 HA LYS 102 HA LYS 102 17.405 2.545 -5.676 792 1HB LYS 102 1HB LYS 102 19.318 1.920 -7.114 793 2HB LYS 102 2HB LYS 102 18.419 2.505 -8.498 794 1HG LYS 102 1HG LYS 102 18.412 4.613 -6.688 795 2HG LYS 102 2HG LYS 102 20.049 3.961 -6.642 796 1HD LYS 102 2HD LYS 102 20.356 5.324 -8.419 797 2HD LYS 102 1HD LYS 102 19.601 4.002 -9.312 798 1HE LYS 102 2HE LYS 102 18.552 6.091 -9.926 799 2HE LYS 102 1HE LYS 102 17.405 5.105 -9.021 800 1HZ LYS 102 1HZ LYS 102 18.928 6.821 -7.318 801 2HZ LYS 102 2HZ LYS 102 17.250 6.647 -7.450 802 3HZ LYS 102 3HZ LYS 102 18.074 7.696 -8.490 803 H TRP 103 H TRP 103 15.954 2.164 -8.880 804 HA TRP 103 HA TRP 103 14.995 4.827 -9.035 805 1HB TRP 103 2HB TRP 103 14.245 2.383 -10.639 806 2HB TRP 103 1HB TRP 103 13.759 4.030 -11.031 807 HD1 TRP 103 HD1 TRP 103 16.878 1.795 -10.891 808 HE1 TRP 103 HE1 TRP 103 18.736 2.877 -12.297 809 HE3 TRP 103 HE3 TRP 103 14.578 6.228 -12.015 810 HZ2 TRP 103 HZ2 TRP 103 19.173 5.276 -13.703 811 HZ3 TRP 103 HZ3 TRP 103 15.791 7.861 -13.401 812 HH2 TRP 103 HH2 TRP 103 18.042 7.395 -14.227 813 H ASP 104 H ASP 104 13.770 2.118 -7.362 814 HA ASP 104 HA ASP 104 11.006 2.953 -7.463 815 1HB ASP 104 2HB ASP 104 12.467 0.872 -5.839 816 2HB ASP 104 1HB ASP 104 10.772 1.255 -5.558 817 H PHE 105 H PHE 105 9.829 3.901 -5.778 818 HA PHE 105 HA PHE 105 9.411 5.412 -4.139 819 1HB PHE 105 1HB PHE 105 11.872 4.180 -2.863 820 2HB PHE 105 2HB PHE 105 10.796 5.308 -2.052 821 HD1 PHE 105 HD1 PHE 105 8.967 4.541 -0.869 822 HD2 PHE 105 HD2 PHE 105 10.842 1.956 -3.683 823 HE1 PHE 105 HE1 PHE 105 7.599 2.666 -0.058 824 HE2 PHE 105 HE2 PHE 105 9.467 0.081 -2.880 825 HZ PHE 105 HZ PHE 105 7.847 0.435 -1.064 826 H TYR 106 H TYR 106 10.738 6.376 -6.377 827 HA TYR 106 HA TYR 106 12.057 8.723 -5.266 828 1HB TYR 106 2HB TYR 106 13.903 7.141 -5.693 829 2HB TYR 106 1HB TYR 106 13.379 6.966 -7.357 830 HD1 TYR 106 HD1 TYR 106 15.164 7.736 -8.614 831 HD2 TYR 106 HD2 TYR 106 13.813 10.112 -5.340 832 HE1 TYR 106 HE1 TYR 106 16.690 9.537 -9.291 833 HE2 TYR 106 HE2 TYR 106 15.335 11.916 -6.021 834 HH TYR 106 HH TYR 106 17.866 11.539 -8.006 835 H CYS 107 H CYS 107 10.960 10.361 -6.078 836 HA CYS 107 HA CYS 107 9.979 10.230 -8.855 837 1HB CYS 107 1HB CYS 107 8.920 11.688 -6.436 838 2HB CYS 107 2HB CYS 107 8.428 12.116 -8.070 839 H GLN 108 HN GLN 108 10.365 11.919 -10.249 840 HA GLN 108 HA GLN 108 12.131 14.068 -9.280 841 1HB GLN 108 2HB GLN 108 12.376 12.521 -11.867 842 2HB GLN 108 1HB GLN 108 13.280 13.982 -11.502 843 1HG GLN 108 2HG GLN 108 14.309 12.846 -9.581 844 2HG GLN 108 1HG GLN 108 13.437 11.373 -10.007 845 1HE2 GLN 108 1HE2 GLN 108 16.322 12.887 -10.237 846 2HE2 GLN 108 2HE2 GLN 108 16.961 12.106 -11.641 Start of MODEL 2 1 1H MET 1 1HT MET 1 7.648 15.836 -3.039 2 2H MET 1 2HT MET 1 6.418 15.569 -4.168 3 3H MET 1 3HT MET 1 7.292 17.016 -4.199 4 HA MET 1 HA MET 1 8.138 14.315 -5.019 5 1HB MET 1 2HB MET 1 8.397 17.065 -6.269 6 2HB MET 1 1HB MET 1 8.926 15.562 -7.004 7 1HG MET 1 2HG MET 1 6.917 15.928 -8.051 8 2HG MET 1 1HG MET 1 6.450 14.849 -6.740 9 1HE MET 1 1HE MET 1 6.377 19.301 -6.293 10 2HE MET 1 2HE MET 1 5.641 18.943 -7.856 11 3HE MET 1 3HE MET 1 7.269 18.365 -7.495 12 H GLY 2 H GLY 2 10.003 13.598 -4.266 13 1HA GLY 2 2HA GLY 2 12.460 14.795 -4.475 14 2HA GLY 2 1HA GLY 2 11.879 15.276 -2.887 15 HA PRO 3 HA PRO 3 13.655 10.933 -2.719 16 1HB PRO 3 2HB PRO 3 16.205 11.605 -1.775 17 2HB PRO 3 1HB PRO 3 15.790 11.088 -3.399 18 1HG PRO 3 1HG PRO 3 16.696 13.630 -2.593 19 2HG PRO 3 2HG PRO 3 16.165 13.142 -4.200 20 1HD PRO 3 1HD PRO 3 14.740 14.666 -2.131 21 2HD PRO 3 2HD PRO 3 14.478 14.609 -3.882 22 H MET 4 H MET 4 12.391 10.468 -1.030 23 HA MET 4 HA MET 4 13.246 11.355 1.642 24 1HB MET 4 2HB MET 4 10.808 10.663 2.246 25 2HB MET 4 1HB MET 4 11.083 12.191 1.426 26 1HG MET 4 1HG MET 4 9.235 11.275 0.354 27 2HG MET 4 2HG MET 4 10.579 10.944 -0.733 28 1HE MET 4 1HE MET 4 8.239 9.801 1.898 29 2HE MET 4 2HE MET 4 9.353 8.611 2.571 30 3HE MET 4 3HE MET 4 7.977 8.082 1.601 31 HA PRO 5 HA PRO 5 14.356 7.297 3.058 32 1HB PRO 5 1HB PRO 5 12.511 6.857 5.132 33 2HB PRO 5 2HB PRO 5 14.109 7.588 5.279 34 1HG PRO 5 1HG PRO 5 11.446 8.895 5.042 35 2HG PRO 5 2HG PRO 5 12.857 9.376 6.002 36 1HD PRO 5 1HD PRO 5 12.264 10.653 3.762 37 2HD PRO 5 2HD PRO 5 13.953 10.284 4.154 38 H LYS 6 H LYS 6 13.863 5.146 2.872 39 HA LYS 6 HA LYS 6 11.761 4.437 1.105 40 1HB LYS 6 1HB LYS 6 13.314 2.427 2.719 41 2HB LYS 6 2HB LYS 6 12.664 2.269 1.098 42 1HG LYS 6 1HG LYS 6 14.928 4.133 1.723 43 2HG LYS 6 2HG LYS 6 15.181 2.438 1.328 44 1HD LYS 6 2HD LYS 6 15.363 3.239 -0.771 45 2HD LYS 6 1HD LYS 6 13.600 3.165 -0.728 46 1HE LYS 6 1HE LYS 6 13.485 5.496 -0.101 47 2HE LYS 6 2HE LYS 6 15.243 5.594 -0.029 48 1HZ LYS 6 1HZ LYS 6 13.883 6.326 -2.154 49 2HZ LYS 6 2HZ LYS 6 14.059 4.688 -2.537 50 3HZ LYS 6 3HZ LYS 6 15.428 5.645 -2.272 51 H LEU 7 H LEU 7 10.335 2.482 1.603 52 HA LEU 7 HA LEU 7 9.179 2.761 4.301 53 1HB LEU 7 2HB LEU 7 7.807 3.696 2.410 54 2HB LEU 7 1HB LEU 7 7.692 2.073 1.762 55 HG LEU 7 HG LEU 7 6.581 1.405 3.944 56 1HD1 LEU 7 1HD1 LEU 7 5.660 3.087 5.355 57 2HD1 LEU 7 2HD1 LEU 7 6.211 4.374 4.283 58 3HD1 LEU 7 3HD1 LEU 7 7.383 3.423 5.197 59 1HD2 LEU 7 1HD2 LEU 7 5.561 2.712 1.641 60 2HD2 LEU 7 2HD2 LEU 7 4.623 3.241 3.038 61 3HD2 LEU 7 3HD2 LEU 7 4.770 1.521 2.675 62 H ALA 8 H ALA 8 10.094 0.613 1.693 63 HA ALA 8 HA ALA 8 10.140 -1.638 3.534 64 1HB ALA 8 1HB ALA 8 8.161 -2.411 2.839 65 2HB ALA 8 2HB ALA 8 9.006 -2.855 1.356 66 3HB ALA 8 3HB ALA 8 8.126 -1.329 1.447 67 H ASP 9 H ASP 9 11.053 -3.634 2.390 68 HA ASP 9 HA ASP 9 13.229 -2.775 0.600 69 1HB ASP 9 2HB ASP 9 13.098 -5.079 2.557 70 2HB ASP 9 1HB ASP 9 14.428 -4.812 1.437 71 H ARG 10 H ARG 10 10.860 -5.337 1.197 72 HA ARG 10 HA ARG 10 11.002 -6.066 -1.648 73 1HB ARG 10 2HB ARG 10 10.881 -8.039 0.636 74 2HB ARG 10 1HB ARG 10 10.736 -8.450 -1.062 75 1HG ARG 10 2HG ARG 10 13.016 -7.679 -1.450 76 2HG ARG 10 1HG ARG 10 13.161 -7.244 0.255 77 1HD ARG 10 1HD ARG 10 12.700 -9.617 0.831 78 2HD ARG 10 2HD ARG 10 12.742 -9.999 -0.889 79 HE ARG 10 HE ARG 10 15.113 -8.682 -0.250 80 1HH1 ARG 10 1HH1 ARG 10 13.537 -11.724 0.497 81 2HH1 ARG 10 2HH1 ARG 10 15.027 -12.566 0.750 82 1HH2 ARG 10 1HH2 ARG 10 17.059 -9.804 0.086 83 2HH2 ARG 10 2HH2 ARG 10 17.019 -11.481 0.518 84 H LYS 11 H LYS 11 9.077 -7.252 -2.390 85 HA LYS 11 HA LYS 11 6.664 -6.776 -0.795 86 1HB LYS 11 2HB LYS 11 5.546 -5.904 -2.859 87 2HB LYS 11 1HB LYS 11 6.810 -4.856 -2.229 88 1HG LYS 11 1HG LYS 11 8.337 -6.072 -3.925 89 2HG LYS 11 2HG LYS 11 6.820 -6.556 -4.688 90 1HD LYS 11 2HD LYS 11 6.177 -4.261 -4.980 91 2HD LYS 11 1HD LYS 11 7.586 -3.715 -4.067 92 1HE LYS 11 2HE LYS 11 9.056 -4.664 -5.777 93 2HE LYS 11 1HE LYS 11 7.645 -5.195 -6.694 94 1HZ LYS 11 1HZ LYS 11 7.466 -3.198 -7.603 95 2HZ LYS 11 2HZ LYS 11 8.926 -2.758 -6.871 96 3HZ LYS 11 3HZ LYS 11 7.458 -2.432 -6.095 97 H LEU 12 H LEU 12 4.715 -7.816 -1.894 98 HA LEU 12 HA LEU 12 5.503 -10.387 -3.102 99 1HB LEU 12 2HB LEU 12 3.237 -9.800 -1.191 100 2HB LEU 12 1HB LEU 12 3.434 -11.320 -2.037 101 HG LEU 12 HG LEU 12 5.458 -10.208 -0.090 102 1HD1 LEU 12 1HD1 LEU 12 3.349 -12.317 0.350 103 2HD1 LEU 12 2HD1 LEU 12 3.322 -10.686 1.018 104 3HD1 LEU 12 3HD1 LEU 12 4.584 -11.817 1.506 105 1HD2 LEU 12 1HD2 LEU 12 6.693 -11.724 -1.252 106 2HD2 LEU 12 2HD2 LEU 12 5.282 -12.648 -1.766 107 3HD2 LEU 12 3HD2 LEU 12 5.908 -12.834 -0.128 108 H CYS 13 H CYS 13 4.967 -10.393 -5.172 109 HA CYS 13 HA CYS 13 2.510 -9.022 -6.042 110 1HB CYS 13 2HB CYS 13 4.914 -9.866 -7.677 111 2HB CYS 13 1HB CYS 13 3.516 -8.986 -8.280 112 H ALA 14 H ALA 14 1.726 -10.099 -8.230 113 HA ALA 14 HA ALA 14 1.058 -12.854 -7.567 114 1HB ALA 14 1HB ALA 14 -0.345 -12.469 -9.787 115 2HB ALA 14 2HB ALA 14 -0.066 -10.777 -9.375 116 3HB ALA 14 3HB ALA 14 -0.882 -11.840 -8.229 117 H ASP 15 H ASP 15 3.109 -11.061 -9.658 118 HA ASP 15 HA ASP 15 4.180 -13.517 -10.784 119 1HB ASP 15 1HB ASP 15 4.167 -12.671 -13.082 120 2HB ASP 15 2HB ASP 15 2.533 -12.816 -12.457 121 H GLN 16 H GLN 16 6.166 -12.954 -12.169 122 HA GLN 16 HA GLN 16 8.026 -11.620 -10.514 123 1HB GLN 16 2HB GLN 16 8.521 -13.536 -12.041 124 2HB GLN 16 1HB GLN 16 8.383 -12.433 -13.403 125 1HG GLN 16 2HG GLN 16 10.260 -11.129 -12.540 126 2HG GLN 16 1HG GLN 16 10.399 -12.235 -11.175 127 1HE2 GLN 16 1HE2 GLN 16 11.949 -13.670 -11.390 128 2HE2 GLN 16 2HE2 GLN 16 12.520 -14.348 -12.872 129 H GLU 17 H GLU 17 6.095 -10.503 -13.193 130 HA GLU 17 HA GLU 17 7.686 -8.093 -13.554 131 1HB GLU 17 2HB GLU 17 5.264 -9.219 -14.924 132 2HB GLU 17 1HB GLU 17 5.683 -7.533 -15.137 133 1HG GLU 17 1HG GLU 17 6.605 -8.639 -16.975 134 2HG GLU 17 2HG GLU 17 7.964 -8.336 -15.896 135 H CYS 18 H CYS 18 5.157 -9.108 -11.533 136 HA CYS 18 HA CYS 18 3.693 -8.065 -10.135 137 1HB CYS 18 1HB CYS 18 5.645 -5.767 -10.457 138 2HB CYS 18 2HB CYS 18 4.351 -5.810 -9.265 139 H SER 19 H SER 19 3.291 -7.967 -13.001 140 HA SER 19 HA SER 19 1.907 -5.449 -13.465 141 1HB SER 19 2HB SER 19 3.453 -6.265 -15.180 142 2HB SER 19 1HB SER 19 2.510 -7.736 -15.318 143 HG SER 19 HG SER 19 1.484 -5.142 -15.807 144 H HIS 20 H HIS 20 1.147 -8.294 -12.068 145 HA HIS 20 HA HIS 20 -1.571 -8.428 -13.178 146 1HB HIS 20 2HB HIS 20 0.226 -10.402 -11.871 147 2HB HIS 20 1HB HIS 20 -1.497 -10.576 -11.589 148 HD1 HIS 20 HD1 HIS 20 -0.769 -12.901 -12.859 149 HD2 HIS 20 HD2 HIS 20 -1.098 -9.475 -15.182 150 HE1 HIS 20 HE1 HIS 20 -1.125 -13.719 -15.194 151 HE2 HIS 20 HE2 HIS 20 -1.180 -11.630 -16.615 152 HA PRO 21 HA PRO 21 -3.058 -6.894 -9.242 153 1HB PRO 21 1HB PRO 21 -5.734 -7.214 -9.708 154 2HB PRO 21 2HB PRO 21 -4.767 -5.917 -10.417 155 1HG PRO 21 1HG PRO 21 -5.983 -8.207 -11.718 156 2HG PRO 21 2HG PRO 21 -5.211 -6.793 -12.450 157 1HD PRO 21 1HD PRO 21 -4.126 -9.474 -12.017 158 2HD PRO 21 2HD PRO 21 -3.494 -8.147 -13.018 159 H ILE 22 H ILE 22 -2.734 -8.099 -7.462 160 HA ILE 22 HA ILE 22 -3.345 -10.826 -7.200 161 HB ILE 22 HB ILE 22 -2.956 -8.835 -4.954 162 1HG1 ILE 22 2HG1 ILE 22 -0.876 -10.638 -6.210 163 2HG1 ILE 22 1HG1 ILE 22 -1.108 -8.958 -6.696 164 1HG2 ILE 22 1HG2 ILE 22 -3.764 -11.493 -4.827 165 2HG2 ILE 22 2HG2 ILE 22 -3.085 -10.539 -3.509 166 3HG2 ILE 22 3HG2 ILE 22 -2.032 -11.551 -4.496 167 1HD1 ILE 22 1HD1 ILE 22 -0.095 -10.038 -4.099 168 2HD1 ILE 22 2HD1 ILE 22 -0.743 -8.403 -4.222 169 3HD1 ILE 22 3HD1 ILE 22 0.653 -8.875 -5.191 170 H SER 23 H SER 23 -4.942 -8.053 -5.579 171 HA SER 23 HA SER 23 -7.444 -9.573 -5.701 172 1HB SER 23 2HB SER 23 -6.362 -9.848 -3.442 173 2HB SER 23 1HB SER 23 -6.555 -8.109 -3.204 174 HG SER 23 HG SER 23 -8.375 -10.083 -2.933 175 H MET 24 H MET 24 -9.307 -8.177 -4.968 176 HA MET 24 HA MET 24 -9.048 -5.448 -6.036 177 1HB MET 24 1HB MET 24 -10.434 -7.333 -7.282 178 2HB MET 24 2HB MET 24 -11.637 -6.964 -6.056 179 1HG MET 24 2HG MET 24 -11.462 -4.557 -6.778 180 2HG MET 24 1HG MET 24 -10.505 -5.134 -8.141 181 1HE MET 24 1HE MET 24 -14.299 -6.952 -6.960 182 2HE MET 24 2HE MET 24 -14.829 -5.290 -7.219 183 3HE MET 24 3HE MET 24 -13.516 -5.631 -6.093 184 H ALA 25 H ALA 25 -8.893 -4.294 -4.157 185 HA ALA 25 HA ALA 25 -10.689 -4.981 -1.953 186 1HB ALA 25 1HB ALA 25 -8.385 -4.789 -1.334 187 2HB ALA 25 2HB ALA 25 -9.265 -3.432 -0.628 188 3HB ALA 25 3HB ALA 25 -8.270 -3.188 -2.064 189 H VAL 26 H VAL 26 -12.118 -3.595 -1.038 190 HA VAL 26 HA VAL 26 -12.917 -1.295 -2.693 191 HB VAL 26 HB VAL 26 -14.466 -2.611 -0.443 192 1HG1 VAL 26 1HG2 VAL 26 -14.959 -0.183 -1.276 193 2HG1 VAL 26 2HG2 VAL 26 -16.286 -1.315 -1.017 194 3HG1 VAL 26 3HG2 VAL 26 -15.692 -1.012 -2.649 195 1HG2 VAL 26 1HG1 VAL 26 -14.701 -3.048 -3.420 196 2HG2 VAL 26 2HG1 VAL 26 -15.773 -3.721 -2.191 197 3HG2 VAL 26 3HG1 VAL 26 -14.079 -4.208 -2.246 198 H ALA 27 H ALA 27 -12.993 0.790 -1.906 199 HA ALA 27 HA ALA 27 -11.474 1.333 0.499 200 1HB ALA 27 1HB ALA 27 -11.256 2.629 -1.653 201 2HB ALA 27 2HB ALA 27 -11.437 3.592 -0.187 202 3HB ALA 27 3HB ALA 27 -12.814 3.362 -1.268 203 H LEU 28 H LEU 28 -12.227 1.950 2.425 204 HA LEU 28 HA LEU 28 -15.121 2.046 2.803 205 1HB LEU 28 2HB LEU 28 -12.811 1.590 4.667 206 2HB LEU 28 1HB LEU 28 -14.402 1.974 5.286 207 HG LEU 28 HG LEU 28 -14.098 -0.387 5.432 208 1HD1 LEU 28 1HD1 LEU 28 -16.097 -1.038 4.620 209 2HD1 LEU 28 2HD1 LEU 28 -15.776 -0.404 3.006 210 3HD1 LEU 28 3HD1 LEU 28 -16.266 0.689 4.300 211 1HD2 LEU 28 1HD2 LEU 28 -12.542 -0.112 3.138 212 2HD2 LEU 28 2HD2 LEU 28 -13.892 -1.148 2.674 213 3HD2 LEU 28 3HD2 LEU 28 -12.873 -1.588 4.044 214 H GLN 29 H GLN 29 -12.406 4.195 2.811 215 HA GLN 29 HA GLN 29 -14.181 6.370 3.592 216 1HB GLN 29 2HB GLN 29 -12.598 7.272 5.251 217 2HB GLN 29 1HB GLN 29 -13.235 5.702 5.721 218 1HG GLN 29 2HG GLN 29 -11.189 4.618 5.112 219 2HG GLN 29 1HG GLN 29 -10.552 6.109 4.418 220 1HE2 GLN 29 1HE2 GLN 29 -9.240 7.226 5.655 221 2HE2 GLN 29 2HE2 GLN 29 -9.166 7.172 7.378 222 H ASP 30 H ASP 30 -12.677 8.499 3.699 223 HA ASP 30 HA ASP 30 -11.555 8.738 1.024 224 1HB ASP 30 2HB ASP 30 -12.155 10.834 3.124 225 2HB ASP 30 1HB ASP 30 -11.592 11.171 1.491 226 H TYR 31 H TYR 31 -9.497 9.548 0.589 227 HA TYR 31 HA TYR 31 -7.616 9.990 2.749 228 1HB TYR 31 2HB TYR 31 -7.717 7.456 2.153 229 2HB TYR 31 1HB TYR 31 -6.878 7.932 0.684 230 HD1 TYR 31 HD1 TYR 31 -4.563 8.042 0.670 231 HD2 TYR 31 HD2 TYR 31 -6.604 8.240 4.400 232 HE1 TYR 31 HE1 TYR 31 -2.409 7.973 1.848 233 HE2 TYR 31 HE2 TYR 31 -4.453 8.171 5.588 234 HH TYR 31 HH TYR 31 -1.441 8.527 3.955 235 H MET 32 H MET 32 -6.068 11.434 2.184 236 HA MET 32 HA MET 32 -5.906 12.229 -0.636 237 1HB MET 32 2HB MET 32 -6.789 13.992 0.781 238 2HB MET 32 1HB MET 32 -5.455 13.805 1.905 239 1HG MET 32 1HG MET 32 -5.166 15.769 0.552 240 2HG MET 32 2HG MET 32 -3.912 14.584 0.234 241 1HE MET 32 1HE MET 32 -7.658 14.743 -1.130 242 2HE MET 32 2HE MET 32 -7.379 15.621 -2.634 243 3HE MET 32 3HE MET 32 -7.080 16.408 -1.085 244 H ALA 33 H ALA 33 -3.948 12.190 -1.638 245 HA ALA 33 HA ALA 33 -1.796 10.786 -0.358 246 1HB ALA 33 1HB ALA 33 -0.695 11.425 -2.672 247 2HB ALA 33 2HB ALA 33 -2.372 11.762 -3.097 248 3HB ALA 33 3HB ALA 33 -1.910 10.155 -2.538 249 HA PRO 34 HA PRO 34 0.189 14.661 0.914 250 1HB PRO 34 2HB PRO 34 2.107 13.068 2.377 251 2HB PRO 34 1HB PRO 34 0.831 14.110 3.008 252 1HG PRO 34 2HG PRO 34 0.810 11.396 3.246 253 2HG PRO 34 1HG PRO 34 -0.663 12.386 3.196 254 1HD PRO 34 2HD PRO 34 0.637 10.803 1.005 255 2HD PRO 34 1HD PRO 34 -1.085 10.951 1.420 256 H ASP 35 H ASP 35 2.385 11.861 0.433 257 HA ASP 35 HA ASP 35 4.278 13.604 -0.925 258 1HB ASP 35 2HB ASP 35 5.817 11.665 -0.807 259 2HB ASP 35 1HB ASP 35 5.203 12.155 0.768 260 H CYS 36 H CYS 36 5.469 12.641 -2.813 261 HA CYS 36 HA CYS 36 3.735 12.404 -4.997 262 1HB CYS 36 1HB CYS 36 5.967 13.371 -5.161 263 2HB CYS 36 2HB CYS 36 6.692 11.808 -4.806 264 H ARG 37 H ARG 37 5.125 9.856 -2.993 265 HA ARG 37 HA ARG 37 4.435 7.906 -5.058 266 1HB ARG 37 2HB ARG 37 5.635 6.241 -3.762 267 2HB ARG 37 1HB ARG 37 6.638 7.647 -4.065 268 1HG ARG 37 2HG ARG 37 6.372 8.396 -1.796 269 2HG ARG 37 1HG ARG 37 5.217 7.101 -1.469 270 1HD ARG 37 2HD ARG 37 6.999 5.451 -1.997 271 2HD ARG 37 1HD ARG 37 8.135 6.783 -2.171 272 HE ARG 37 HE ARG 37 8.375 6.779 0.087 273 1HH1 ARG 37 1HH1 ARG 37 5.264 5.292 -0.596 274 2HH1 ARG 37 2HH1 ARG 37 4.940 4.949 1.068 275 1HH2 ARG 37 1HH2 ARG 37 7.920 6.313 2.257 276 2HH2 ARG 37 2HH2 ARG 37 6.437 5.526 2.679 277 H PHE 38 H PHE 38 2.497 9.387 -3.114 278 HA PHE 38 HA PHE 38 1.150 6.942 -2.158 279 1HB PHE 38 2HB PHE 38 1.472 9.596 -0.977 280 2HB PHE 38 1HB PHE 38 -0.196 9.038 -0.966 281 HD1 PHE 38 HD1 PHE 38 3.140 7.408 -0.353 282 HD2 PHE 38 HD2 PHE 38 -0.811 8.164 1.041 283 HE1 PHE 38 HE1 PHE 38 3.584 6.044 1.642 284 HE2 PHE 38 HE2 PHE 38 -0.369 6.801 3.038 285 HZ PHE 38 HZ PHE 38 1.831 5.739 3.341 286 H LEU 39 H LEU 39 -1.246 6.964 -2.232 287 HA LEU 39 HA LEU 39 -2.193 8.238 -4.723 288 1HB LEU 39 1HB LEU 39 -2.845 5.599 -3.446 289 2HB LEU 39 2HB LEU 39 -3.912 6.323 -4.631 290 HG LEU 39 HG LEU 39 -1.015 5.797 -5.251 291 1HD1 LEU 39 1HD1 LEU 39 -1.927 3.723 -6.398 292 2HD1 LEU 39 2HD1 LEU 39 -3.359 3.922 -5.386 293 3HD1 LEU 39 3HD1 LEU 39 -1.783 3.656 -4.642 294 1HD2 LEU 39 1HD2 LEU 39 -2.351 7.313 -6.710 295 2HD2 LEU 39 2HD2 LEU 39 -3.452 5.969 -7.018 296 3HD2 LEU 39 3HD2 LEU 39 -1.768 5.866 -7.532 297 H THR 40 H THR 40 -4.205 9.164 -4.836 298 HA THR 40 HA THR 40 -5.469 9.831 -2.271 299 HB THR 40 HB THR 40 -5.934 11.059 -5.010 300 HG1 THR 40 HG1 THR 40 -4.439 12.498 -4.526 301 1HG2 THR 40 1HG2 THR 40 -7.583 11.295 -2.880 302 2HG2 THR 40 2HG2 THR 40 -7.360 12.537 -4.114 303 3HG2 THR 40 3HG2 THR 40 -6.469 12.634 -2.592 304 H ILE 41 H ILE 41 -7.052 8.486 -1.703 305 HA ILE 41 HA ILE 41 -8.721 7.274 -3.814 306 HB ILE 41 HB ILE 41 -8.190 6.206 -1.024 307 1HG1 ILE 41 1HG1 ILE 41 -7.094 5.201 -3.667 308 2HG1 ILE 41 2HG1 ILE 41 -6.190 6.235 -2.567 309 1HG2 ILE 41 1HG2 ILE 41 -9.531 4.921 -3.413 310 2HG2 ILE 41 2HG2 ILE 41 -10.342 5.489 -1.953 311 3HG2 ILE 41 3HG2 ILE 41 -9.211 4.138 -1.865 312 1HD1 ILE 41 1HD1 ILE 41 -6.449 4.453 -0.828 313 2HD1 ILE 41 2HD1 ILE 41 -5.458 4.013 -2.221 314 3HD1 ILE 41 3HD1 ILE 41 -7.114 3.418 -2.092 315 H HIS 42 H HIS 42 -10.956 7.140 -3.536 316 HA HIS 42 HA HIS 42 -12.088 8.924 -1.484 317 1HB HIS 42 2HB HIS 42 -13.056 8.291 -4.278 318 2HB HIS 42 1HB HIS 42 -14.059 9.099 -3.085 319 HD1 HIS 42 HD1 HIS 42 -13.777 10.729 -5.433 320 HD2 HIS 42 HD2 HIS 42 -10.777 10.737 -2.555 321 HE1 HIS 42 HE1 HIS 42 -12.518 12.877 -5.776 322 HE2 HIS 42 HE2 HIS 42 -10.773 12.905 -3.960 323 H ARG 43 H ARG 43 -14.126 8.317 -0.575 324 HA ARG 43 HA ARG 43 -14.255 5.626 0.234 325 1HB ARG 43 2HB ARG 43 -15.054 7.573 1.560 326 2HB ARG 43 1HB ARG 43 -16.399 7.750 0.444 327 1HG ARG 43 1HG ARG 43 -17.201 5.517 1.081 328 2HG ARG 43 2HG ARG 43 -15.868 5.384 2.230 329 1HD ARG 43 2HD ARG 43 -17.889 6.056 3.381 330 2HD ARG 43 1HD ARG 43 -16.710 7.365 3.413 331 HE ARG 43 HE ARG 43 -18.379 7.744 1.202 332 1HH1 ARG 43 1HH1 ARG 43 -18.593 7.822 4.702 333 2HH1 ARG 43 2HH1 ARG 43 -19.883 8.978 4.711 334 1HH2 ARG 43 1HH2 ARG 43 -20.068 9.259 1.235 335 2HH2 ARG 43 2HH2 ARG 43 -20.718 9.790 2.749 336 H GLY 44 H GLY 44 -14.953 3.921 -0.880 337 1HA GLY 44 2HA GLY 44 -16.764 2.718 -1.870 338 2HA GLY 44 1HA GLY 44 -17.356 4.223 -2.548 339 H GLN 45 H GLN 45 -14.116 4.317 -3.143 340 HA GLN 45 HA GLN 45 -14.530 3.574 -5.899 341 1HB GLN 45 1HB GLN 45 -12.125 4.661 -4.440 342 2HB GLN 45 2HB GLN 45 -12.097 4.234 -6.145 343 1HG GLN 45 2HG GLN 45 -14.062 5.825 -6.415 344 2HG GLN 45 1HG GLN 45 -13.666 6.401 -4.795 345 1HE2 GLN 45 1HE2 GLN 45 -13.294 7.093 -7.923 346 2HE2 GLN 45 2HE2 GLN 45 -11.791 7.942 -7.887 347 H VAL 46 H VAL 46 -13.211 2.126 -7.095 348 HA VAL 46 HA VAL 46 -12.585 -0.315 -5.603 349 HB VAL 46 HB VAL 46 -12.557 -0.041 -8.605 350 1HG1 VAL 46 1HG1 VAL 46 -12.952 -2.341 -6.706 351 2HG1 VAL 46 2HG1 VAL 46 -11.630 -2.086 -7.846 352 3HG1 VAL 46 3HG1 VAL 46 -13.250 -2.449 -8.441 353 1HG2 VAL 46 1HG2 VAL 46 -15.007 -1.174 -7.940 354 2HG2 VAL 46 2HG2 VAL 46 -14.730 0.429 -8.619 355 3HG2 VAL 46 3HG2 VAL 46 -14.855 0.221 -6.871 356 H VAL 47 H VAL 47 -10.544 -0.664 -5.020 357 HA VAL 47 HA VAL 47 -8.385 0.470 -6.673 358 HB VAL 47 HB VAL 47 -8.193 -0.218 -3.737 359 1HG1 VAL 47 1HG1 VAL 47 -6.380 1.538 -5.380 360 2HG1 VAL 47 2HG1 VAL 47 -6.093 -0.185 -5.130 361 3HG1 VAL 47 3HG1 VAL 47 -6.111 0.915 -3.751 362 1HG2 VAL 47 1HG2 VAL 47 -9.566 1.946 -4.875 363 2HG2 VAL 47 2HG2 VAL 47 -8.039 2.598 -4.280 364 3HG2 VAL 47 3HG2 VAL 47 -9.114 1.728 -3.184 365 H TYR 48 H TYR 48 -7.106 -0.905 -7.683 366 HA TYR 48 HA TYR 48 -7.248 -3.744 -7.052 367 1HB TYR 48 2HB TYR 48 -6.106 -2.211 -9.386 368 2HB TYR 48 1HB TYR 48 -5.772 -3.914 -9.154 369 HD1 TYR 48 HD1 TYR 48 -9.054 -2.161 -8.630 370 HD2 TYR 48 HD2 TYR 48 -6.788 -4.878 -11.000 371 HE1 TYR 48 HE1 TYR 48 -11.074 -2.737 -9.898 372 HE2 TYR 48 HE2 TYR 48 -8.809 -5.464 -12.264 373 HH TYR 48 HH TYR 48 -11.100 -5.345 -12.236 374 H VAL 49 H VAL 49 -5.784 -4.699 -5.811 375 HA VAL 49 HA VAL 49 -3.329 -3.306 -5.099 376 HB VAL 49 HB VAL 49 -4.309 -5.988 -4.091 377 1HG1 VAL 49 1HG1 VAL 49 -2.204 -5.998 -3.287 378 2HG1 VAL 49 2HG1 VAL 49 -2.878 -4.917 -2.070 379 3HG1 VAL 49 3HG1 VAL 49 -2.016 -4.253 -3.457 380 1HG2 VAL 49 1HG2 VAL 49 -5.506 -4.974 -2.401 381 2HG2 VAL 49 2HG2 VAL 49 -5.815 -3.881 -3.748 382 3HG2 VAL 49 3HG2 VAL 49 -4.612 -3.459 -2.530 383 H PHE 50 H PHE 50 -1.449 -3.677 -6.095 384 HA PHE 50 HA PHE 50 -1.201 -6.048 -7.797 385 1HB PHE 50 2HB PHE 50 0.129 -3.356 -7.838 386 2HB PHE 50 1HB PHE 50 0.852 -4.724 -8.676 387 HD1 PHE 50 HD1 PHE 50 -2.411 -2.906 -8.424 388 HD2 PHE 50 HD2 PHE 50 0.287 -5.122 -10.861 389 HE1 PHE 50 HE1 PHE 50 -3.845 -2.498 -10.380 390 HE2 PHE 50 HE2 PHE 50 -1.144 -4.716 -12.819 391 HZ PHE 50 HZ PHE 50 -3.212 -3.402 -12.581 392 H SER 51 H SER 51 0.178 -4.557 -4.965 393 HA SER 51 HA SER 51 1.789 -6.930 -4.514 394 1HB SER 51 2HB SER 51 3.867 -5.639 -4.096 395 2HB SER 51 1HB SER 51 3.351 -5.551 -5.778 396 HG SER 51 HG SER 51 3.986 -3.521 -4.605 397 H LYS 52 H LYS 52 2.742 -7.020 -2.368 398 HA LYS 52 HA LYS 52 1.448 -5.243 -0.400 399 1HB LYS 52 2HB LYS 52 1.950 -8.178 0.111 400 2HB LYS 52 1HB LYS 52 1.031 -7.063 1.093 401 1HG LYS 52 1HG LYS 52 -0.692 -6.936 -0.613 402 2HG LYS 52 2HG LYS 52 0.238 -8.021 -1.648 403 1HD LYS 52 1HD LYS 52 0.061 -9.784 0.041 404 2HD LYS 52 2HD LYS 52 -0.871 -8.700 1.074 405 1HE LYS 52 2HE LYS 52 -2.609 -8.557 -0.643 406 2HE LYS 52 1HE LYS 52 -1.675 -9.643 -1.676 407 1HZ LYS 52 1HZ LYS 52 -3.127 -11.085 -0.681 408 2HZ LYS 52 2HZ LYS 52 -3.159 -10.245 0.787 409 3HZ LYS 52 3HZ LYS 52 -1.818 -11.194 0.385 410 H LEU 53 H LEU 53 3.030 -4.083 0.520 411 HA LEU 53 HA LEU 53 5.765 -4.833 0.385 412 1HB LEU 53 1HB LEU 53 4.485 -2.694 2.085 413 2HB LEU 53 2HB LEU 53 6.190 -2.819 1.689 414 HG LEU 53 HG LEU 53 4.000 -2.360 -0.345 415 1HD1 LEU 53 1HD2 LEU 53 5.968 -0.271 0.444 416 2HD1 LEU 53 2HD2 LEU 53 4.549 -0.542 1.457 417 3HD1 LEU 53 3HD2 LEU 53 4.351 -0.101 -0.238 418 1HD2 LEU 53 1HD1 LEU 53 6.408 -1.454 -1.356 419 2HD2 LEU 53 2HD1 LEU 53 5.579 -2.946 -1.804 420 3HD2 LEU 53 3HD1 LEU 53 6.828 -2.970 -0.558 421 H LYS 54 H LYS 54 7.254 -5.219 2.080 422 HA LYS 54 HA LYS 54 6.127 -6.260 4.602 423 1HB LYS 54 2HB LYS 54 8.299 -7.622 2.988 424 2HB LYS 54 1HB LYS 54 7.664 -8.164 4.531 425 1HG LYS 54 2HG LYS 54 5.450 -8.470 3.446 426 2HG LYS 54 1HG LYS 54 6.221 -8.107 1.901 427 1HD LYS 54 2HD LYS 54 7.071 -10.333 3.751 428 2HD LYS 54 1HD LYS 54 6.000 -10.540 2.372 429 1HE LYS 54 2HE LYS 54 8.865 -9.602 2.279 430 2HE LYS 54 1HE LYS 54 8.275 -11.192 1.801 431 1HZ LYS 54 1HZ LYS 54 7.947 -10.389 -0.218 432 2HZ LYS 54 2HZ LYS 54 8.417 -8.838 0.267 433 3HZ LYS 54 3HZ LYS 54 6.797 -9.307 0.389 434 H GLY 55 H GLY 55 7.629 -6.290 6.382 435 1HA GLY 55 1HA GLY 55 9.452 -5.589 7.621 436 2HA GLY 55 2HA GLY 55 10.257 -5.160 6.120 437 H ARG 56 H ARG 56 8.836 -4.012 8.901 438 HA ARG 56 HA ARG 56 8.550 -1.984 9.828 439 1HB ARG 56 1HB ARG 56 9.755 -0.960 7.260 440 2HB ARG 56 2HB ARG 56 9.355 0.061 8.636 441 1HG ARG 56 2HG ARG 56 10.945 -1.046 10.018 442 2HG ARG 56 1HG ARG 56 11.221 -2.291 8.800 443 1HD ARG 56 2HD ARG 56 13.061 -0.811 8.704 444 2HD ARG 56 1HD ARG 56 12.067 -0.497 7.285 445 HE ARG 56 HE ARG 56 12.449 1.268 9.584 446 1HH1 ARG 56 1HH1 ARG 56 10.941 0.745 6.458 447 2HH1 ARG 56 2HH1 ARG 56 10.468 2.400 6.283 448 1HH2 ARG 56 1HH2 ARG 56 11.822 3.432 9.331 449 2HH2 ARG 56 2HH2 ARG 56 10.966 3.921 7.907 450 H GLY 57 H GLY 57 7.743 -1.471 6.398 451 1HA GLY 57 1HA GLY 57 5.135 -0.404 7.241 452 2HA GLY 57 2HA GLY 57 5.918 -0.078 5.699 453 H ARG 58 H ARG 58 5.382 -3.143 7.395 454 HA ARG 58 HA ARG 58 4.561 -4.484 5.036 455 1HB ARG 58 1HB ARG 58 4.066 -6.380 6.543 456 2HB ARG 58 2HB ARG 58 5.675 -5.724 6.759 457 1HG ARG 58 2HG ARG 58 4.884 -4.525 8.734 458 2HG ARG 58 1HG ARG 58 3.292 -5.248 8.528 459 1HD ARG 58 2HD ARG 58 4.275 -7.470 8.764 460 2HD ARG 58 1HD ARG 58 5.871 -6.750 8.956 461 HE ARG 58 HE ARG 58 3.872 -7.049 10.965 462 1HH1 ARG 58 1HH1 ARG 58 6.528 -4.969 9.987 463 2HH1 ARG 58 2HH1 ARG 58 6.773 -4.346 11.582 464 1HH2 ARG 58 1HH2 ARG 58 4.216 -6.218 13.045 465 2HH2 ARG 58 2HH2 ARG 58 5.468 -5.051 13.312 466 H LEU 59 H LEU 59 2.873 -2.433 7.086 467 HA LEU 59 HA LEU 59 0.278 -3.676 6.635 468 1HB LEU 59 2HB LEU 59 1.038 -1.147 8.107 469 2HB LEU 59 1HB LEU 59 -0.584 -1.803 8.014 470 HG LEU 59 HG LEU 59 1.729 -3.297 9.250 471 1HD1 LEU 59 1HD2 LEU 59 -0.006 -1.175 10.340 472 2HD1 LEU 59 2HD2 LEU 59 1.626 -1.659 10.799 473 3HD1 LEU 59 3HD2 LEU 59 0.239 -2.592 11.360 474 1HD2 LEU 59 1HD1 LEU 59 -0.089 -4.733 8.569 475 2HD2 LEU 59 2HD1 LEU 59 -1.258 -3.688 9.375 476 3HD2 LEU 59 3HD1 LEU 59 -0.079 -4.590 10.326 477 H PHE 60 H PHE 60 2.193 -2.150 4.640 478 HA PHE 60 HA PHE 60 0.095 -0.421 3.506 479 1HB PHE 60 2HB PHE 60 3.101 -0.185 3.307 480 2HB PHE 60 1HB PHE 60 1.993 0.737 2.300 481 HD1 PHE 60 HD1 PHE 60 1.040 2.724 3.072 482 HD2 PHE 60 HD2 PHE 60 2.996 0.136 5.830 483 HE1 PHE 60 HE1 PHE 60 0.909 4.469 4.801 484 HE2 PHE 60 HE2 PHE 60 2.861 1.875 7.563 485 HZ PHE 60 HZ PHE 60 1.816 4.044 7.050 486 H TRP 61 H TRP 61 -0.702 -0.902 1.595 487 HA TRP 61 HA TRP 61 0.593 -3.009 -0.003 488 1HB TRP 61 1HB TRP 61 -2.300 -2.269 0.380 489 2HB TRP 61 2HB TRP 61 -1.781 -3.233 -0.990 490 HD1 TRP 61 HD1 TRP 61 0.323 -4.438 1.727 491 HE1 TRP 61 HE1 TRP 61 -0.666 -6.535 2.826 492 HE3 TRP 61 HE3 TRP 61 -4.448 -4.177 -0.129 493 HZ2 TRP 61 HZ2 TRP 61 -3.130 -7.895 2.920 494 HZ3 TRP 61 HZ3 TRP 61 -6.056 -5.922 0.524 495 HH2 TRP 61 HH2 TRP 61 -5.409 -7.740 2.017 496 H GLY 62 H GLY 62 1.007 -2.678 -2.120 497 1HA GLY 62 2HA GLY 62 0.606 0.064 -3.130 498 2HA GLY 62 1HA GLY 62 1.847 -1.089 -3.704 499 H GLY 63 H GLY 63 0.108 0.356 -5.398 500 1HA GLY 63 2HA GLY 63 -0.645 -1.410 -7.300 501 2HA GLY 63 1HA GLY 63 -2.042 -1.383 -6.235 502 H SER 64 H SER 64 -3.261 -0.560 -8.020 503 HA SER 64 HA SER 64 -2.919 2.341 -8.380 504 1HB SER 64 1HB SER 64 -3.649 2.132 -10.717 505 2HB SER 64 2HB SER 64 -2.183 1.192 -10.434 506 HG SER 64 HG SER 64 -3.460 -0.203 -11.478 507 H VAL 65 H VAL 65 -4.907 3.490 -8.897 508 HA VAL 65 HA VAL 65 -7.270 2.150 -7.746 509 HB VAL 65 HB VAL 65 -6.748 5.129 -7.921 510 1HG1 VAL 65 1HG2 VAL 65 -9.132 3.775 -7.537 511 2HG1 VAL 65 2HG2 VAL 65 -8.809 5.461 -7.132 512 3HG1 VAL 65 3HG2 VAL 65 -8.623 4.208 -5.905 513 1HG2 VAL 65 1HG1 VAL 65 -6.500 3.336 -5.511 514 2HG2 VAL 65 2HG1 VAL 65 -6.232 5.077 -5.563 515 3HG2 VAL 65 3HG1 VAL 65 -5.144 3.992 -6.428 516 H GLN 66 H GLN 66 -8.897 1.695 -9.097 517 HA GLN 66 HA GLN 66 -8.901 2.774 -11.779 518 1HB GLN 66 1HB GLN 66 -9.462 0.434 -11.510 519 2HB GLN 66 2HB GLN 66 -10.777 0.832 -10.414 520 1HG GLN 66 2HG GLN 66 -12.028 1.853 -12.178 521 2HG GLN 66 1HG GLN 66 -10.671 1.718 -13.289 522 1HE2 GLN 66 1HE2 GLN 66 -10.425 -1.119 -11.830 523 2HE2 GLN 66 2HE2 GLN 66 -11.507 -2.073 -12.776 524 H GLY 67 H GLY 67 -10.148 4.341 -12.573 525 1HA GLY 67 2HA GLY 67 -12.642 5.176 -12.012 526 2HA GLY 67 1HA GLY 67 -11.713 5.935 -10.728 527 H ASP 68 H ASP 68 -9.355 6.434 -12.222 528 HA ASP 68 HA ASP 68 -10.309 8.451 -14.152 529 1HB ASP 68 2HB ASP 68 -8.058 8.658 -12.141 530 2HB ASP 68 1HB ASP 68 -8.299 9.808 -13.448 531 H TYR 69 H TYR 69 -9.881 7.521 -16.076 532 HA TYR 69 HA TYR 69 -7.131 6.572 -16.548 533 1HB TYR 69 2HB TYR 69 -9.754 5.484 -17.517 534 2HB TYR 69 1HB TYR 69 -8.305 5.250 -18.483 535 HD1 TYR 69 HD1 TYR 69 -7.054 3.352 -18.139 536 HD2 TYR 69 HD2 TYR 69 -9.509 4.760 -14.960 537 HE1 TYR 69 HE1 TYR 69 -6.477 1.362 -16.817 538 HE2 TYR 69 HE2 TYR 69 -8.931 2.776 -13.630 539 HH TYR 69 HH TYR 69 -6.465 0.538 -14.637 540 H TYR 70 H TYR 70 -6.713 8.868 -17.030 541 HA TYR 70 HA TYR 70 -7.042 9.328 -19.872 542 1HB TYR 70 1HB TYR 70 -7.736 11.719 -19.520 543 2HB TYR 70 2HB TYR 70 -8.958 10.523 -19.119 544 HD1 TYR 70 HD1 TYR 70 -6.459 12.828 -17.597 545 HD2 TYR 70 HD2 TYR 70 -9.958 10.478 -17.003 546 HE1 TYR 70 HE1 TYR 70 -6.781 13.872 -15.395 547 HE2 TYR 70 HE2 TYR 70 -10.285 11.515 -14.799 548 HH TYR 70 HH TYR 70 -8.210 12.872 -13.076 549 H GLY 71 H GLY 71 -4.950 8.904 -17.599 550 1HA GLY 71 1HA GLY 71 -2.628 9.430 -18.406 551 2HA GLY 71 2HA GLY 71 -3.159 11.102 -18.435 552 H ASP 72 H ASP 72 -4.221 9.030 -15.846 553 HA ASP 72 HA ASP 72 -2.073 9.776 -14.068 554 1HB ASP 72 2HB ASP 72 -3.532 10.941 -12.434 555 2HB ASP 72 1HB ASP 72 -3.362 11.818 -13.948 556 H LEU 73 H LEU 73 -2.655 9.094 -11.736 557 HA LEU 73 HA LEU 73 -3.027 7.443 -10.257 558 1HB LEU 73 2HB LEU 73 -5.507 7.242 -11.912 559 2HB LEU 73 1HB LEU 73 -5.195 6.045 -10.670 560 HG LEU 73 HG LEU 73 -4.950 8.025 -9.057 561 1HD1 LEU 73 1HD1 LEU 73 -5.181 10.099 -9.798 562 2HD1 LEU 73 2HD1 LEU 73 -6.770 9.715 -10.461 563 3HD1 LEU 73 3HD1 LEU 73 -5.324 9.480 -11.443 564 1HD2 LEU 73 1HD2 LEU 73 -7.651 8.304 -9.388 565 2HD2 LEU 73 2HD2 LEU 73 -6.848 7.015 -8.493 566 3HD2 LEU 73 3HD2 LEU 73 -7.320 6.759 -10.172 567 H ALA 74 H ALA 74 -4.445 5.528 -12.897 568 HA ALA 74 HA ALA 74 -2.509 3.438 -12.361 569 1HB ALA 74 1HB ALA 74 -4.733 3.386 -14.394 570 2HB ALA 74 2HB ALA 74 -4.961 2.998 -12.690 571 3HB ALA 74 3HB ALA 74 -3.883 2.014 -13.680 572 H ALA 75 H ALA 75 -0.667 4.671 -13.124 573 HA ALA 75 HA ALA 75 -0.122 4.137 -15.921 574 1HB ALA 75 1HB ALA 75 -1.112 6.562 -15.509 575 2HB ALA 75 2HB ALA 75 0.174 6.266 -16.679 576 3HB ALA 75 3HB ALA 75 0.564 6.901 -15.080 577 H ARG 76 H ARG 76 1.010 5.448 -12.836 578 HA ARG 76 HA ARG 76 3.622 4.221 -13.362 579 1HB ARG 76 2HB ARG 76 4.581 6.181 -11.964 580 2HB ARG 76 1HB ARG 76 4.192 6.449 -13.655 581 1HG ARG 76 2HG ARG 76 3.353 8.342 -12.650 582 2HG ARG 76 1HG ARG 76 1.925 7.318 -12.752 583 1HD ARG 76 2HD ARG 76 2.028 8.379 -10.582 584 2HD ARG 76 1HD ARG 76 2.273 6.642 -10.409 585 HE ARG 76 HE ARG 76 4.781 7.844 -10.628 586 1HH1 ARG 76 1HH1 ARG 76 2.100 7.791 -8.367 587 2HH1 ARG 76 2HH1 ARG 76 3.105 8.083 -6.991 588 1HH2 ARG 76 1HH2 ARG 76 6.083 8.228 -8.809 589 2HH2 ARG 76 2HH2 ARG 76 5.360 8.332 -7.240 590 H LEU 77 H LEU 77 1.027 3.843 -11.625 591 HA LEU 77 HA LEU 77 0.447 2.816 -9.699 592 1HB LEU 77 2HB LEU 77 3.353 2.040 -9.778 593 2HB LEU 77 1HB LEU 77 2.266 1.474 -8.526 594 HG LEU 77 HG LEU 77 1.714 1.009 -11.455 595 1HD1 LEU 77 1HD1 LEU 77 3.887 -0.029 -10.078 596 2HD1 LEU 77 2HD1 LEU 77 3.173 -0.668 -11.558 597 3HD1 LEU 77 3HD1 LEU 77 2.666 -1.299 -9.991 598 1HD2 LEU 77 1HD2 LEU 77 -0.199 0.736 -10.015 599 2HD2 LEU 77 2HD2 LEU 77 0.731 -0.279 -8.911 600 3HD2 LEU 77 3HD2 LEU 77 0.360 -0.853 -10.539 601 H GLY 78 H GLY 78 0.847 2.647 -7.295 602 1HA GLY 78 2HA GLY 78 2.419 4.710 -6.042 603 2HA GLY 78 1HA GLY 78 0.695 5.062 -6.046 604 H TYR 79 H TYR 79 1.400 4.953 -3.609 605 HA TYR 79 HA TYR 79 0.884 2.197 -2.696 606 1HB TYR 79 2HB TYR 79 2.592 4.243 -1.259 607 2HB TYR 79 1HB TYR 79 2.270 2.595 -0.725 608 HD1 TYR 79 HD1 TYR 79 4.716 4.564 -2.049 609 HD2 TYR 79 HD2 TYR 79 2.836 0.825 -2.815 610 HE1 TYR 79 HE1 TYR 79 6.713 3.819 -3.266 611 HE2 TYR 79 HE2 TYR 79 4.824 0.067 -4.044 612 HH TYR 79 HH TYR 79 7.707 1.268 -3.790 613 H PHE 80 H PHE 80 -0.290 1.952 -0.737 614 HA PHE 80 HA PHE 80 -1.645 4.232 0.422 615 1HB PHE 80 2HB PHE 80 -3.931 3.267 -0.038 616 2HB PHE 80 1HB PHE 80 -3.106 3.892 -1.465 617 HD1 PHE 80 HD1 PHE 80 -4.251 0.844 0.262 618 HD2 PHE 80 HD2 PHE 80 -2.445 2.432 -3.253 619 HE1 PHE 80 HE1 PHE 80 -4.594 -1.305 -0.884 620 HE2 PHE 80 HE2 PHE 80 -2.789 0.284 -4.400 621 HZ PHE 80 HZ PHE 80 -3.864 -1.587 -3.216 622 HA PRO 81 HA PRO 81 -1.529 1.467 3.931 623 1HB PRO 81 2HB PRO 81 -3.807 2.791 5.172 624 2HB PRO 81 1HB PRO 81 -2.105 2.848 5.636 625 1HG PRO 81 2HG PRO 81 -3.419 4.986 4.610 626 2HG PRO 81 1HG PRO 81 -1.684 4.711 4.363 627 1HD PRO 81 2HD PRO 81 -3.972 4.161 2.506 628 2HD PRO 81 1HD PRO 81 -2.382 4.869 2.153 629 H SER 82 H SER 82 -2.345 -0.524 4.261 630 HA SER 82 HA SER 82 -4.613 -1.464 2.868 631 1HB SER 82 2HB SER 82 -4.213 -3.585 3.985 632 2HB SER 82 1HB SER 82 -2.667 -2.875 3.526 633 HG SER 82 HG SER 82 -3.299 -3.703 5.879 634 H SER 83 H SER 83 -4.306 0.090 5.895 635 HA SER 83 HA SER 83 -6.500 -0.994 7.287 636 1HB SER 83 2HB SER 83 -6.321 1.023 8.705 637 2HB SER 83 1HB SER 83 -4.755 0.263 8.423 638 HG SER 83 HG SER 83 -4.185 1.888 7.098 639 H ILE 84 H ILE 84 -6.395 1.343 4.687 640 HA ILE 84 HA ILE 84 -9.113 2.227 5.316 641 HB ILE 84 HB ILE 84 -8.902 3.858 3.530 642 1HG1 ILE 84 1HG1 ILE 84 -6.019 3.027 3.227 643 2HG1 ILE 84 2HG1 ILE 84 -7.289 2.420 2.160 644 1HG2 ILE 84 1HG2 ILE 84 -7.671 5.340 4.766 645 2HG2 ILE 84 2HG2 ILE 84 -6.406 4.165 5.124 646 3HG2 ILE 84 3HG2 ILE 84 -7.956 4.075 5.960 647 1HD1 ILE 84 1HD1 ILE 84 -5.889 4.920 2.100 648 2HD1 ILE 84 2HD1 ILE 84 -7.631 5.172 2.212 649 3HD1 ILE 84 3HD1 ILE 84 -6.963 4.198 0.902 650 H VAL 85 H VAL 85 -7.803 -0.312 3.663 651 HA VAL 85 HA VAL 85 -10.143 -0.414 1.869 652 HB VAL 85 HB VAL 85 -8.793 -1.751 0.260 653 1HG1 VAL 85 1HG1 VAL 85 -7.311 0.265 -0.444 654 2HG1 VAL 85 2HG1 VAL 85 -8.122 1.092 0.886 655 3HG1 VAL 85 3HG1 VAL 85 -9.068 0.429 -0.447 656 1HG2 VAL 85 1HG2 VAL 85 -6.665 -2.359 0.598 657 2HG2 VAL 85 2HG2 VAL 85 -6.963 -1.969 2.292 658 3HG2 VAL 85 3HG2 VAL 85 -6.217 -0.774 1.231 659 H ARG 86 H ARG 86 -10.731 -2.650 1.187 660 HA ARG 86 HA ARG 86 -10.089 -4.659 3.229 661 1HB ARG 86 2HB ARG 86 -12.224 -3.463 3.784 662 2HB ARG 86 1HB ARG 86 -12.899 -4.087 2.285 663 1HG ARG 86 2HG ARG 86 -12.638 -6.363 3.073 664 2HG ARG 86 1HG ARG 86 -11.875 -5.781 4.554 665 1HD ARG 86 2HD ARG 86 -13.932 -4.598 5.145 666 2HD ARG 86 1HD ARG 86 -14.695 -5.179 3.668 667 HE ARG 86 HE ARG 86 -14.398 -6.603 6.115 668 1HH1 ARG 86 1HH1 ARG 86 -14.572 -7.074 2.638 669 2HH1 ARG 86 2HH1 ARG 86 -15.093 -8.718 2.775 670 1HH2 ARG 86 1HH2 ARG 86 -15.084 -8.758 6.266 671 2HH2 ARG 86 2HH2 ARG 86 -15.383 -9.671 4.824 672 H GLU 87 H GLU 87 -9.230 -6.308 2.193 673 HA GLU 87 HA GLU 87 -9.641 -6.875 -0.556 674 1HB GLU 87 2HB GLU 87 -7.504 -7.267 0.443 675 2HB GLU 87 1HB GLU 87 -8.205 -8.243 1.724 676 1HG GLU 87 2HG GLU 87 -8.446 -9.135 -1.090 677 2HG GLU 87 1HG GLU 87 -6.915 -9.309 -0.247 678 H ASP 88 H ASP 88 -10.936 -8.416 -1.499 679 HA ASP 88 HA ASP 88 -12.342 -10.336 0.180 680 1HB ASP 88 2HB ASP 88 -13.777 -8.327 0.189 681 2HB ASP 88 1HB ASP 88 -13.832 -8.367 -1.570 682 H GLN 89 H GLN 89 -11.828 -9.076 -3.120 683 HA GLN 89 HA GLN 89 -12.259 -11.831 -4.108 684 1HB GLN 89 2HB GLN 89 -13.957 -10.436 -4.977 685 2HB GLN 89 1HB GLN 89 -12.811 -9.184 -5.412 686 1HG GLN 89 1HG GLN 89 -13.733 -10.472 -7.326 687 2HG GLN 89 2HG GLN 89 -11.978 -10.457 -7.223 688 1HE2 GLN 89 1HE2 GLN 89 -11.132 -12.265 -7.793 689 2HE2 GLN 89 2HE2 GLN 89 -11.735 -13.849 -7.472 690 H THR 90 H THR 90 -10.406 -12.815 -4.396 691 HA THR 90 HA THR 90 -8.000 -11.428 -5.226 692 HB THR 90 HB THR 90 -8.477 -14.391 -4.824 693 HG1 THR 90 HG1 THR 90 -7.835 -14.100 -2.770 694 1HG2 THR 90 1HG2 THR 90 -6.322 -14.810 -5.180 695 2HG2 THR 90 2HG2 THR 90 -5.810 -13.384 -4.277 696 3HG2 THR 90 3HG2 THR 90 -6.272 -13.234 -5.973 697 H LEU 91 H LEU 91 -7.704 -10.926 -7.287 698 HA LEU 91 HA LEU 91 -9.097 -12.315 -9.413 699 1HB LEU 91 1HB LEU 91 -7.069 -10.113 -9.724 700 2HB LEU 91 2HB LEU 91 -8.360 -10.553 -10.825 701 HG LEU 91 HG LEU 91 -8.876 -9.405 -8.084 702 1HD1 LEU 91 1HD2 LEU 91 -9.019 -7.246 -9.000 703 2HD1 LEU 91 2HD2 LEU 91 -8.901 -7.852 -10.652 704 3HD1 LEU 91 3HD2 LEU 91 -7.496 -7.913 -9.588 705 1HD2 LEU 91 1HD1 LEU 91 -11.017 -8.711 -9.330 706 2HD2 LEU 91 2HD1 LEU 91 -10.843 -10.392 -8.816 707 3HD2 LEU 91 3HD1 LEU 91 -10.556 -9.950 -10.500 708 H LYS 92 H LYS 92 -6.109 -12.582 -7.874 709 HA LYS 92 HA LYS 92 -5.182 -14.677 -9.538 710 1HB LYS 92 2HB LYS 92 -4.577 -12.813 -11.039 711 2HB LYS 92 1HB LYS 92 -3.623 -12.085 -9.759 712 1HG LYS 92 2HG LYS 92 -1.874 -13.190 -10.555 713 2HG LYS 92 1HG LYS 92 -2.630 -14.674 -9.986 714 1HD LYS 92 1HD LYS 92 -3.130 -13.481 -12.706 715 2HD LYS 92 2HD LYS 92 -1.898 -14.695 -12.392 716 1HE LYS 92 2HE LYS 92 -3.661 -15.980 -13.149 717 2HE LYS 92 1HE LYS 92 -3.855 -16.074 -11.401 718 1HZ LYS 92 1HZ LYS 92 -5.258 -13.861 -12.564 719 2HZ LYS 92 2HZ LYS 92 -5.815 -15.057 -11.504 720 3HZ LYS 92 3HZ LYS 92 -5.779 -15.353 -13.169 721 HA PRO 93 HA PRO 93 -3.389 -15.603 -5.524 722 1HB PRO 93 2HB PRO 93 -1.358 -17.208 -6.818 723 2HB PRO 93 1HB PRO 93 -2.674 -17.724 -5.777 724 1HG PRO 93 2HG PRO 93 -2.473 -18.050 -8.565 725 2HG PRO 93 1HG PRO 93 -3.870 -18.406 -7.540 726 1HD PRO 93 1HD PRO 93 -3.574 -16.318 -9.470 727 2HD PRO 93 2HD PRO 93 -4.971 -16.687 -8.448 728 H GLY 94 H GLY 94 -1.972 -14.472 -4.367 729 1HA GLY 94 1HA GLY 94 0.367 -13.293 -5.738 730 2HA GLY 94 2HA GLY 94 -0.426 -12.596 -4.330 731 H LYS 95 H LYS 95 1.834 -14.936 -5.484 732 HA LYS 95 HA LYS 95 2.842 -15.309 -2.774 733 1HB LYS 95 1HB LYS 95 3.162 -17.827 -3.532 734 2HB LYS 95 2HB LYS 95 1.686 -17.272 -2.755 735 1HG LYS 95 2HG LYS 95 0.641 -17.004 -4.954 736 2HG LYS 95 1HG LYS 95 2.114 -17.594 -5.718 737 1HD LYS 95 2HD LYS 95 0.471 -19.370 -5.596 738 2HD LYS 95 1HD LYS 95 1.838 -19.745 -4.544 739 1HE LYS 95 2HE LYS 95 -0.253 -20.306 -3.444 740 2HE LYS 95 1HE LYS 95 0.528 -18.966 -2.606 741 1HZ LYS 95 1HZ LYS 95 -1.843 -18.592 -2.863 742 2HZ LYS 95 2HZ LYS 95 -1.711 -18.723 -4.544 743 3HZ LYS 95 3HZ LYS 95 -0.965 -17.437 -3.735 744 H VAL 96 H VAL 96 3.847 -13.781 -5.003 745 HA VAL 96 HA VAL 96 6.365 -15.228 -5.550 746 HB VAL 96 HB VAL 96 5.170 -12.997 -7.218 747 1HG1 VAL 96 1HG1 VAL 96 7.565 -14.779 -7.658 748 2HG1 VAL 96 2HG1 VAL 96 7.563 -13.031 -7.420 749 3HG1 VAL 96 3HG1 VAL 96 6.871 -13.720 -8.888 750 1HG2 VAL 96 1HG2 VAL 96 3.999 -14.480 -8.399 751 2HG2 VAL 96 2HG2 VAL 96 4.323 -15.642 -7.114 752 3HG2 VAL 96 3HG2 VAL 96 5.378 -15.571 -8.526 753 H ASP 97 H ASP 97 8.226 -14.312 -4.834 754 HA ASP 97 HA ASP 97 8.009 -11.756 -3.411 755 1HB ASP 97 2HB ASP 97 8.864 -13.688 -2.150 756 2HB ASP 97 1HB ASP 97 10.179 -13.865 -3.306 757 H VAL 98 H VAL 98 8.662 -9.978 -4.365 758 HA VAL 98 HA VAL 98 10.953 -10.071 -6.222 759 HB VAL 98 HB VAL 98 8.549 -8.245 -6.530 760 1HG1 VAL 98 1HG1 VAL 98 11.192 -8.288 -7.718 761 2HG1 VAL 98 2HG1 VAL 98 9.940 -7.047 -7.792 762 3HG1 VAL 98 3HG1 VAL 98 9.921 -8.390 -8.937 763 1HG2 VAL 98 1HG2 VAL 98 8.780 -10.968 -7.248 764 2HG2 VAL 98 2HG2 VAL 98 8.868 -10.024 -8.735 765 3HG2 VAL 98 3HG2 VAL 98 7.488 -9.837 -7.652 766 H LYS 99 H LYS 99 12.568 -8.712 -5.700 767 HA LYS 99 HA LYS 99 12.351 -7.029 -3.370 768 1HB LYS 99 1HB LYS 99 14.642 -7.320 -5.329 769 2HB LYS 99 2HB LYS 99 14.723 -6.569 -3.743 770 1HG LYS 99 2HG LYS 99 14.316 -8.661 -2.663 771 2HG LYS 99 1HG LYS 99 14.065 -9.460 -4.215 772 1HD LYS 99 2HD LYS 99 16.391 -8.930 -4.834 773 2HD LYS 99 1HD LYS 99 16.628 -8.192 -3.249 774 1HE LYS 99 2HE LYS 99 17.524 -10.445 -3.268 775 2HE LYS 99 1HE LYS 99 16.133 -10.351 -2.188 776 1HZ LYS 99 1HZ LYS 99 16.331 -12.314 -3.826 777 2HZ LYS 99 2HZ LYS 99 15.771 -11.213 -4.981 778 3HZ LYS 99 3HZ LYS 99 14.826 -11.567 -3.623 779 H THR 100 H THR 100 13.047 -4.716 -3.393 780 HA THR 100 HA THR 100 11.677 -3.292 -5.505 781 HB THR 100 HB THR 100 12.247 -1.261 -4.174 782 HG1 THR 100 HG1 THR 100 13.657 -1.370 -2.640 783 1HG2 THR 100 1HG2 THR 100 10.189 -2.036 -3.523 784 2HG2 THR 100 2HG2 THR 100 11.082 -2.060 -2.001 785 3HG2 THR 100 3HG2 THR 100 10.835 -3.557 -2.903 786 H ASP 101 H ASP 101 12.774 -1.195 -6.315 787 HA ASP 101 HA ASP 101 15.464 -1.896 -7.281 788 1HB ASP 101 2HB ASP 101 13.294 -0.265 -8.606 789 2HB ASP 101 1HB ASP 101 14.921 -0.453 -9.248 790 H LYS 102 H LYS 102 16.478 0.304 -8.248 791 HA LYS 102 HA LYS 102 17.145 1.888 -5.979 792 1HB LYS 102 1HB LYS 102 18.714 1.245 -7.819 793 2HB LYS 102 2HB LYS 102 17.842 2.351 -8.860 794 1HG LYS 102 1HG LYS 102 18.483 3.858 -6.631 795 2HG LYS 102 2HG LYS 102 19.919 2.891 -6.948 796 1HD LYS 102 2HD LYS 102 20.338 4.727 -8.270 797 2HD LYS 102 1HD LYS 102 19.512 3.682 -9.426 798 1HE LYS 102 2HE LYS 102 17.434 4.860 -9.071 799 2HE LYS 102 1HE LYS 102 18.161 5.833 -7.794 800 1HZ LYS 102 1HZ LYS 102 17.956 6.855 -10.103 801 2HZ LYS 102 2HZ LYS 102 19.245 5.853 -10.541 802 3HZ LYS 102 3HZ LYS 102 19.448 7.002 -9.317 803 H TRP 103 H TRP 103 15.309 2.406 -8.927 804 HA TRP 103 HA TRP 103 14.842 5.183 -8.454 805 1HB TRP 103 2HB TRP 103 13.507 3.310 -10.418 806 2HB TRP 103 1HB TRP 103 13.407 5.066 -10.443 807 HD1 TRP 103 HD1 TRP 103 15.961 2.234 -10.976 808 HE1 TRP 103 HE1 TRP 103 17.890 3.124 -12.418 809 HE3 TRP 103 HE3 TRP 103 14.568 7.151 -11.261 810 HZ2 TRP 103 HZ2 TRP 103 18.715 5.569 -13.533 811 HZ3 TRP 103 HZ3 TRP 103 15.989 8.700 -12.544 812 HH2 TRP 103 HH2 TRP 103 18.019 7.923 -13.657 813 H ASP 104 H ASP 104 13.560 2.554 -6.931 814 HA ASP 104 HA ASP 104 10.822 3.444 -6.754 815 1HB ASP 104 2HB ASP 104 12.370 1.310 -5.275 816 2HB ASP 104 1HB ASP 104 10.677 1.666 -4.954 817 H PHE 105 H PHE 105 9.811 4.289 -4.909 818 HA PHE 105 HA PHE 105 9.537 5.748 -3.197 819 1HB PHE 105 2HB PHE 105 12.152 4.715 -2.074 820 2HB PHE 105 1HB PHE 105 10.840 5.479 -1.189 821 HD1 PHE 105 HD1 PHE 105 12.227 2.405 -2.363 822 HD2 PHE 105 HD2 PHE 105 8.643 4.229 -0.972 823 HE1 PHE 105 HE1 PHE 105 11.299 0.186 -1.858 824 HE2 PHE 105 HE2 PHE 105 7.710 2.011 -0.463 825 HZ PHE 105 HZ PHE 105 9.040 -0.013 -0.903 826 H TYR 106 H TYR 106 11.123 6.523 -5.574 827 HA TYR 106 HA TYR 106 12.328 8.956 -4.463 828 1HB TYR 106 2HB TYR 106 14.204 7.484 -4.899 829 2HB TYR 106 1HB TYR 106 13.601 7.110 -6.502 830 HD1 TYR 106 HD1 TYR 106 15.254 7.781 -7.953 831 HD2 TYR 106 HD2 TYR 106 14.099 10.480 -4.854 832 HE1 TYR 106 HE1 TYR 106 16.700 9.519 -8.917 833 HE2 TYR 106 HE2 TYR 106 15.534 12.211 -5.818 834 HH TYR 106 HH TYR 106 17.126 11.780 -8.904 835 H CYS 107 H CYS 107 11.076 10.515 -5.187 836 HA CYS 107 HA CYS 107 10.099 10.424 -7.965 837 1HB CYS 107 1HB CYS 107 8.310 10.451 -6.287 838 2HB CYS 107 2HB CYS 107 8.976 11.914 -5.582 839 H GLN 108 HN GLN 108 11.232 11.677 -9.268 840 HA GLN 108 HA GLN 108 12.230 14.240 -8.263 841 1HB GLN 108 1HB GLN 108 13.972 12.437 -8.689 842 2HB GLN 108 2HB GLN 108 13.558 12.572 -10.398 843 1HG GLN 108 2HG GLN 108 14.042 15.046 -10.136 844 2HG GLN 108 1HG GLN 108 14.790 14.611 -8.603 845 1HE2 GLN 108 1HE2 GLN 108 16.908 14.612 -8.809 846 2HE2 GLN 108 2HE2 GLN 108 17.806 13.979 -10.140 Start of MODEL 3 1 1H MET 1 1HT MET 1 6.837 12.877 -4.938 2 2H MET 1 2HT MET 1 5.343 13.365 -5.562 3 3H MET 1 3HT MET 1 6.449 14.522 -5.014 4 HA MET 1 HA MET 1 6.734 12.763 -7.379 5 1HB MET 1 2HB MET 1 5.213 14.728 -7.564 6 2HB MET 1 1HB MET 1 6.550 15.774 -7.111 7 1HG MET 1 2HG MET 1 7.765 15.094 -9.121 8 2HG MET 1 1HG MET 1 6.420 14.049 -9.576 9 1HE MET 1 1HE MET 1 5.777 16.085 -12.269 10 2HE MET 1 2HE MET 1 7.212 15.309 -11.598 11 3HE MET 1 3HE MET 1 7.166 17.062 -11.792 12 H GLY 2 H GLY 2 8.752 12.198 -7.833 13 1HA GLY 2 2HA GLY 2 11.013 12.988 -8.394 14 2HA GLY 2 1HA GLY 2 10.952 13.957 -6.932 15 HA PRO 3 HA PRO 3 12.884 9.800 -5.959 16 1HB PRO 3 2HB PRO 3 15.504 10.753 -5.675 17 2HB PRO 3 1HB PRO 3 14.866 9.833 -7.033 18 1HG PRO 3 1HG PRO 3 15.714 12.538 -7.016 19 2HG PRO 3 2HG PRO 3 14.996 11.633 -8.357 20 1HD PRO 3 1HD PRO 3 13.769 13.599 -6.564 21 2HD PRO 3 2HD PRO 3 13.244 13.037 -8.157 22 H MET 4 H MET 4 12.048 9.676 -3.963 23 HA MET 4 HA MET 4 13.252 11.313 -1.823 24 1HB MET 4 1HB MET 4 10.500 10.049 -1.893 25 2HB MET 4 2HB MET 4 11.140 11.058 -0.607 26 1HG MET 4 2HG MET 4 11.326 12.908 -2.304 27 2HG MET 4 1HG MET 4 10.403 11.879 -3.398 28 1HE MET 4 1HE MET 4 7.979 10.859 -2.678 29 2HE MET 4 2HE MET 4 7.065 11.433 -1.282 30 3HE MET 4 3HE MET 4 8.515 10.453 -1.045 31 HA PRO 5 HA PRO 5 14.727 7.720 0.401 32 1HB PRO 5 2HB PRO 5 12.870 8.307 2.655 33 2HB PRO 5 1HB PRO 5 14.616 8.039 2.678 34 1HG PRO 5 1HG PRO 5 13.636 10.485 2.952 35 2HG PRO 5 2HG PRO 5 15.081 10.202 1.961 36 1HD PRO 5 1HD PRO 5 12.253 10.693 1.102 37 2HD PRO 5 2HD PRO 5 13.770 11.284 0.393 38 H LYS 6 H LYS 6 14.214 5.570 0.921 39 HA LYS 6 HA LYS 6 11.812 4.603 -0.251 40 1HB LYS 6 1HB LYS 6 14.030 3.161 1.199 41 2HB LYS 6 2HB LYS 6 12.695 2.358 0.385 42 1HG LYS 6 1HG LYS 6 13.390 3.429 -1.732 43 2HG LYS 6 2HG LYS 6 14.774 4.127 -0.895 44 1HD LYS 6 2HD LYS 6 15.571 2.199 -2.006 45 2HD LYS 6 1HD LYS 6 15.458 1.771 -0.299 46 1HE LYS 6 2HE LYS 6 14.623 -0.049 -1.641 47 2HE LYS 6 1HE LYS 6 13.287 0.683 -0.755 48 1HZ LYS 6 1HZ LYS 6 13.522 0.304 -3.511 49 2HZ LYS 6 2HZ LYS 6 13.525 1.972 -3.232 50 3HZ LYS 6 3HZ LYS 6 12.247 1.023 -2.661 51 H LEU 7 H LEU 7 10.636 2.786 0.870 52 HA LEU 7 HA LEU 7 9.895 3.528 3.618 53 1HB LEU 7 2HB LEU 7 8.183 4.449 2.320 54 2HB LEU 7 1HB LEU 7 8.259 3.158 1.143 55 HG LEU 7 HG LEU 7 7.275 1.686 3.052 56 1HD1 LEU 7 1HD1 LEU 7 5.771 4.012 3.954 57 2HD1 LEU 7 2HD1 LEU 7 7.461 4.034 4.461 58 3HD1 LEU 7 3HD1 LEU 7 6.435 2.660 4.875 59 1HD2 LEU 7 1HD2 LEU 7 5.295 1.856 1.954 60 2HD2 LEU 7 2HD2 LEU 7 6.320 2.737 0.815 61 3HD2 LEU 7 3HD2 LEU 7 5.311 3.621 1.967 62 H ALA 8 H ALA 8 10.258 1.062 1.163 63 HA ALA 8 HA ALA 8 10.330 -1.010 3.235 64 1HB ALA 8 1HB ALA 8 9.015 -2.540 1.810 65 2HB ALA 8 2HB ALA 8 8.716 -1.210 0.692 66 3HB ALA 8 3HB ALA 8 8.083 -1.138 2.336 67 H ASP 9 H ASP 9 10.942 -3.217 1.872 68 HA ASP 9 HA ASP 9 13.185 -2.474 0.122 69 1HB ASP 9 1HB ASP 9 14.415 -4.461 1.119 70 2HB ASP 9 2HB ASP 9 14.227 -3.058 2.161 71 H ARG 10 H ARG 10 10.885 -5.033 0.985 72 HA ARG 10 HA ARG 10 10.997 -5.972 -1.794 73 1HB ARG 10 2HB ARG 10 11.151 -7.687 0.649 74 2HB ARG 10 1HB ARG 10 10.680 -8.308 -0.925 75 1HG ARG 10 1HG ARG 10 12.831 -7.508 -1.834 76 2HG ARG 10 2HG ARG 10 13.300 -7.026 -0.199 77 1HD ARG 10 1HD ARG 10 12.872 -9.350 0.511 78 2HD ARG 10 2HD ARG 10 12.639 -9.785 -1.171 79 HE ARG 10 HE ARG 10 14.902 -9.815 -1.434 80 1HH1 ARG 10 1HH1 ARG 10 14.221 -7.980 1.483 81 2HH1 ARG 10 2HH1 ARG 10 15.894 -7.778 1.880 82 1HH2 ARG 10 1HH2 ARG 10 17.085 -9.538 -0.889 83 2HH2 ARG 10 2HH2 ARG 10 17.512 -8.658 0.540 84 H LYS 11 H LYS 11 9.083 -7.119 -2.504 85 HA LYS 11 HA LYS 11 6.695 -6.703 -0.856 86 1HB LYS 11 2HB LYS 11 5.514 -5.827 -2.867 87 2HB LYS 11 1HB LYS 11 6.801 -4.775 -2.295 88 1HG LYS 11 2HG LYS 11 8.271 -5.929 -4.044 89 2HG LYS 11 1HG LYS 11 6.756 -6.524 -4.726 90 1HD LYS 11 2HD LYS 11 5.959 -4.245 -4.984 91 2HD LYS 11 1HD LYS 11 7.446 -3.636 -4.253 92 1HE LYS 11 2HE LYS 11 7.323 -5.264 -6.785 93 2HE LYS 11 1HE LYS 11 7.431 -3.504 -6.735 94 1HZ LYS 11 1HZ LYS 11 9.499 -5.413 -6.530 95 2HZ LYS 11 2HZ LYS 11 9.461 -4.484 -5.117 96 3HZ LYS 11 3HZ LYS 11 9.617 -3.727 -6.622 97 H LEU 12 H LEU 12 4.775 -7.819 -1.762 98 HA LEU 12 HA LEU 12 5.534 -10.358 -3.041 99 1HB LEU 12 2HB LEU 12 3.276 -9.754 -1.124 100 2HB LEU 12 1HB LEU 12 3.476 -11.281 -1.956 101 HG LEU 12 HG LEU 12 5.510 -10.148 -0.033 102 1HD1 LEU 12 1HD1 LEU 12 3.814 -10.573 1.431 103 2HD1 LEU 12 2HD1 LEU 12 4.524 -12.184 1.327 104 3HD1 LEU 12 3HD1 LEU 12 3.076 -11.797 0.397 105 1HD2 LEU 12 1HD2 LEU 12 5.776 -12.879 -0.109 106 2HD2 LEU 12 2HD2 LEU 12 6.790 -11.725 -0.976 107 3HD2 LEU 12 3HD2 LEU 12 5.418 -12.477 -1.789 108 H CYS 13 H CYS 13 5.018 -10.304 -5.120 109 HA CYS 13 HA CYS 13 2.578 -8.904 -5.976 110 1HB CYS 13 2HB CYS 13 4.951 -9.803 -7.623 111 2HB CYS 13 1HB CYS 13 3.583 -8.865 -8.207 112 H ALA 14 H ALA 14 1.704 -9.927 -8.118 113 HA ALA 14 HA ALA 14 1.014 -12.688 -7.496 114 1HB ALA 14 1HB ALA 14 -0.435 -12.139 -9.704 115 2HB ALA 14 2HB ALA 14 -0.196 -10.508 -9.073 116 3HB ALA 14 3HB ALA 14 -0.958 -11.740 -8.066 117 H ASP 15 H ASP 15 2.887 -10.836 -9.740 118 HA ASP 15 HA ASP 15 3.790 -13.311 -11.026 119 1HB ASP 15 2HB ASP 15 2.135 -12.151 -12.497 120 2HB ASP 15 1HB ASP 15 3.204 -10.766 -12.559 121 H GLN 16 H GLN 16 5.796 -12.854 -12.332 122 HA GLN 16 HA GLN 16 7.790 -11.769 -10.625 123 1HB GLN 16 2HB GLN 16 8.085 -13.691 -12.219 124 2HB GLN 16 1HB GLN 16 8.080 -12.529 -13.536 125 1HG GLN 16 2HG GLN 16 10.074 -11.465 -12.610 126 2HG GLN 16 1HG GLN 16 10.079 -12.629 -11.286 127 1HE2 GLN 16 1HE2 GLN 16 11.472 -14.211 -11.541 128 2HE2 GLN 16 2HE2 GLN 16 11.987 -14.891 -13.042 129 H GLU 17 H GLU 17 5.880 -10.418 -13.154 130 HA GLU 17 HA GLU 17 7.668 -8.169 -13.621 131 1HB GLU 17 2HB GLU 17 4.890 -8.712 -14.688 132 2HB GLU 17 1HB GLU 17 5.951 -7.417 -15.217 133 1HG GLU 17 2HG GLU 17 7.562 -9.110 -16.003 134 2HG GLU 17 1HG GLU 17 6.420 -10.367 -15.544 135 H CYS 18 H CYS 18 5.154 -8.988 -11.471 136 HA CYS 18 HA CYS 18 3.904 -7.857 -9.952 137 1HB CYS 18 1HB CYS 18 6.089 -5.801 -10.350 138 2HB CYS 18 2HB CYS 18 4.803 -5.611 -9.163 139 H SER 19 H SER 19 3.417 -7.648 -12.816 140 HA SER 19 HA SER 19 2.076 -5.069 -13.085 141 1HB SER 19 2HB SER 19 3.539 -5.590 -14.905 142 2HB SER 19 1HB SER 19 2.834 -7.189 -15.079 143 HG SER 19 HG SER 19 1.715 -6.149 -16.562 144 H HIS 20 H HIS 20 1.372 -8.030 -11.928 145 HA HIS 20 HA HIS 20 -1.345 -8.151 -13.021 146 1HB HIS 20 2HB HIS 20 0.491 -10.130 -11.774 147 2HB HIS 20 1HB HIS 20 -1.229 -10.350 -11.500 148 HD1 HIS 20 HD1 HIS 20 -0.533 -12.617 -12.855 149 HD2 HIS 20 HD2 HIS 20 -0.776 -9.103 -15.058 150 HE1 HIS 20 HE1 HIS 20 -0.841 -13.342 -15.231 151 HE2 HIS 20 HE2 HIS 20 -1.048 -11.202 -16.548 152 HA PRO 21 HA PRO 21 -2.878 -6.757 -9.050 153 1HB PRO 21 1HB PRO 21 -5.547 -7.052 -9.571 154 2HB PRO 21 2HB PRO 21 -4.565 -5.732 -10.217 155 1HG PRO 21 1HG PRO 21 -5.767 -7.968 -11.621 156 2HG PRO 21 2HG PRO 21 -4.971 -6.535 -12.289 157 1HD PRO 21 1HD PRO 21 -3.909 -9.237 -11.917 158 2HD PRO 21 2HD PRO 21 -3.259 -7.889 -12.876 159 H ILE 22 H ILE 22 -2.673 -7.970 -7.267 160 HA ILE 22 HA ILE 22 -3.242 -10.722 -7.113 161 HB ILE 22 HB ILE 22 -2.974 -8.798 -4.791 162 1HG1 ILE 22 1HG1 ILE 22 -0.805 -10.505 -6.030 163 2HG1 ILE 22 2HG1 ILE 22 -1.059 -8.815 -6.466 164 1HG2 ILE 22 1HG2 ILE 22 -2.011 -11.520 -4.418 165 2HG2 ILE 22 2HG2 ILE 22 -3.737 -11.462 -4.777 166 3HG2 ILE 22 3HG2 ILE 22 -3.090 -10.556 -3.409 167 1HD1 ILE 22 1HD1 ILE 22 0.651 -8.767 -4.891 168 2HD1 ILE 22 2HD1 ILE 22 -0.138 -9.959 -3.858 169 3HD1 ILE 22 3HD1 ILE 22 -0.790 -8.324 -3.975 170 H SER 23 H SER 23 -4.890 -8.091 -5.316 171 HA SER 23 HA SER 23 -7.418 -9.520 -5.711 172 1HB SER 23 2HB SER 23 -6.417 -8.549 -3.024 173 2HB SER 23 1HB SER 23 -8.007 -9.242 -3.339 174 HG SER 23 HG SER 23 -6.264 -10.683 -2.515 175 H MET 24 H MET 24 -9.211 -8.281 -5.815 176 HA MET 24 HA MET 24 -8.824 -5.411 -6.119 177 1HB MET 24 1HB MET 24 -10.032 -6.737 -7.848 178 2HB MET 24 2HB MET 24 -11.264 -7.114 -6.654 179 1HG MET 24 2HG MET 24 -10.672 -4.258 -7.073 180 2HG MET 24 1HG MET 24 -11.459 -5.107 -8.397 181 1HE MET 24 1HE MET 24 -13.452 -6.400 -8.280 182 2HE MET 24 2HE MET 24 -14.861 -5.970 -7.309 183 3HE MET 24 3HE MET 24 -13.709 -7.164 -6.711 184 H ALA 25 H ALA 25 -9.045 -4.197 -4.357 185 HA ALA 25 HA ALA 25 -10.947 -5.052 -2.277 186 1HB ALA 25 1HB ALA 25 -9.045 -4.991 -1.072 187 2HB ALA 25 2HB ALA 25 -9.401 -3.266 -0.991 188 3HB ALA 25 3HB ALA 25 -8.249 -3.872 -2.180 189 H VAL 26 H VAL 26 -12.330 -3.600 -1.331 190 HA VAL 26 HA VAL 26 -12.895 -1.188 -2.913 191 HB VAL 26 HB VAL 26 -14.618 -2.478 -0.777 192 1HG1 VAL 26 1HG2 VAL 26 -16.418 -1.201 -2.121 193 2HG1 VAL 26 2HG2 VAL 26 -15.065 -0.249 -2.732 194 3HG1 VAL 26 3HG2 VAL 26 -15.399 -0.296 -1.000 195 1HG2 VAL 26 1HG1 VAL 26 -15.286 -4.010 -2.242 196 2HG2 VAL 26 2HG1 VAL 26 -14.023 -3.458 -3.341 197 3HG2 VAL 26 3HG1 VAL 26 -15.642 -2.769 -3.442 198 H ALA 27 H ALA 27 -12.967 0.869 -2.020 199 HA ALA 27 HA ALA 27 -11.456 1.256 0.426 200 1HB ALA 27 1HB ALA 27 -11.083 2.621 -1.629 201 2HB ALA 27 2HB ALA 27 -11.377 3.568 -0.171 202 3HB ALA 27 3HB ALA 27 -12.662 3.360 -1.361 203 H LEU 28 H LEU 28 -12.221 1.879 2.361 204 HA LEU 28 HA LEU 28 -15.122 2.068 2.667 205 1HB LEU 28 2HB LEU 28 -12.929 1.626 4.691 206 2HB LEU 28 1HB LEU 28 -14.609 1.836 5.124 207 HG LEU 28 HG LEU 28 -14.150 -0.483 5.234 208 1HD1 LEU 28 1HD1 LEU 28 -15.891 -1.315 4.045 209 2HD1 LEU 28 2HD1 LEU 28 -15.411 -0.504 2.554 210 3HD1 LEU 28 3HD1 LEU 28 -16.213 0.407 3.835 211 1HD2 LEU 28 1HD2 LEU 28 -13.381 -0.977 2.468 212 2HD2 LEU 28 2HD2 LEU 28 -12.721 -1.623 3.970 213 3HD2 LEU 28 3HD2 LEU 28 -12.198 -0.043 3.385 214 H GLN 29 H GLN 29 -12.375 4.143 2.708 215 HA GLN 29 HA GLN 29 -14.097 6.336 3.551 216 1HB GLN 29 2HB GLN 29 -12.518 7.188 5.213 217 2HB GLN 29 1HB GLN 29 -13.114 5.594 5.652 218 1HG GLN 29 2HG GLN 29 -11.063 4.566 5.028 219 2HG GLN 29 1HG GLN 29 -10.470 6.057 4.296 220 1HE2 GLN 29 1HE2 GLN 29 -9.182 7.255 5.481 221 2HE2 GLN 29 2HE2 GLN 29 -9.049 7.218 7.201 222 H ASP 30 H ASP 30 -12.694 8.454 3.597 223 HA ASP 30 HA ASP 30 -11.559 8.720 0.941 224 1HB ASP 30 2HB ASP 30 -12.128 10.786 3.082 225 2HB ASP 30 1HB ASP 30 -11.588 11.146 1.445 226 H TYR 31 H TYR 31 -9.520 9.594 0.495 227 HA TYR 31 HA TYR 31 -7.603 10.000 2.629 228 1HB TYR 31 2HB TYR 31 -7.621 7.487 2.010 229 2HB TYR 31 1HB TYR 31 -6.905 7.994 0.486 230 HD1 TYR 31 HD1 TYR 31 -4.596 8.516 0.327 231 HD2 TYR 31 HD2 TYR 31 -6.369 7.960 4.158 232 HE1 TYR 31 HE1 TYR 31 -2.361 8.517 1.353 233 HE2 TYR 31 HE2 TYR 31 -4.138 7.956 5.193 234 HH TYR 31 HH TYR 31 -1.552 7.330 3.994 235 H MET 32 H MET 32 -6.388 11.702 2.101 236 HA MET 32 HA MET 32 -6.133 12.426 -0.742 237 1HB MET 32 2HB MET 32 -5.874 14.153 1.729 238 2HB MET 32 1HB MET 32 -5.591 14.712 0.087 239 1HG MET 32 1HG MET 32 -8.202 13.663 1.161 240 2HG MET 32 2HG MET 32 -7.792 15.354 0.904 241 1HE MET 32 1HE MET 32 -10.041 15.396 -0.124 242 2HE MET 32 2HE MET 32 -10.520 13.798 -0.699 243 3HE MET 32 3HE MET 32 -10.324 15.125 -1.844 244 H ALA 33 H ALA 33 -4.176 12.401 -1.681 245 HA ALA 33 HA ALA 33 -1.857 11.861 0.056 246 1HB ALA 33 1HB ALA 33 -0.877 10.742 -1.903 247 2HB ALA 33 2HB ALA 33 -2.371 11.046 -2.788 248 3HB ALA 33 3HB ALA 33 -2.385 10.007 -1.363 249 HA PRO 34 HA PRO 34 -0.170 15.661 -1.611 250 1HB PRO 34 2HB PRO 34 2.176 15.353 -0.024 251 2HB PRO 34 1HB PRO 34 0.771 16.361 0.316 252 1HG PRO 34 2HG PRO 34 1.529 14.147 1.783 253 2HG PRO 34 1HG PRO 34 -0.107 14.837 1.762 254 1HD PRO 34 2HD PRO 34 0.986 12.486 0.263 255 2HD PRO 34 1HD PRO 34 -0.597 12.693 1.043 256 H ASP 35 H ASP 35 2.375 13.240 -0.928 257 HA ASP 35 HA ASP 35 3.718 13.937 -3.415 258 1HB ASP 35 2HB ASP 35 5.550 12.472 -2.501 259 2HB ASP 35 1HB ASP 35 5.151 13.875 -1.516 260 H CYS 36 H CYS 36 4.845 12.070 -4.579 261 HA CYS 36 HA CYS 36 2.880 10.424 -5.752 262 1HB CYS 36 1HB CYS 36 4.916 11.314 -6.891 263 2HB CYS 36 2HB CYS 36 5.880 10.156 -5.982 264 H ARG 37 H ARG 37 4.750 9.896 -2.906 265 HA ARG 37 HA ARG 37 4.971 7.061 -3.096 266 1HB ARG 37 1HB ARG 37 5.411 9.074 -0.979 267 2HB ARG 37 2HB ARG 37 5.019 7.455 -0.424 268 1HG ARG 37 2HG ARG 37 6.882 6.569 -1.751 269 2HG ARG 37 1HG ARG 37 7.294 8.214 -2.235 270 1HD ARG 37 1HD ARG 37 8.675 7.393 -0.365 271 2HD ARG 37 2HD ARG 37 7.746 8.819 0.058 272 HE ARG 37 HE ARG 37 6.338 6.489 0.793 273 1HH1 ARG 37 1HH1 ARG 37 9.094 8.427 1.763 274 2HH1 ARG 37 2HH1 ARG 37 8.957 7.995 3.434 275 1HH2 ARG 37 1HH2 ARG 37 6.168 5.943 2.991 276 2HH2 ARG 37 2HH2 ARG 37 7.304 6.590 4.127 277 H PHE 38 H PHE 38 2.328 9.154 -2.308 278 HA PHE 38 HA PHE 38 0.825 6.772 -1.426 279 1HB PHE 38 2HB PHE 38 0.476 9.623 -0.481 280 2HB PHE 38 1HB PHE 38 -0.640 8.317 -0.108 281 HD1 PHE 38 HD1 PHE 38 2.692 9.709 0.542 282 HD2 PHE 38 HD2 PHE 38 -0.063 6.606 1.499 283 HE1 PHE 38 HE1 PHE 38 4.043 9.118 2.509 284 HE2 PHE 38 HE2 PHE 38 1.284 6.015 3.469 285 HZ PHE 38 HZ PHE 38 3.340 7.271 3.976 286 H LEU 39 H LEU 39 -1.438 6.716 -1.939 287 HA LEU 39 HA LEU 39 -2.047 8.097 -4.474 288 1HB LEU 39 1HB LEU 39 -2.650 5.390 -3.410 289 2HB LEU 39 2HB LEU 39 -3.869 6.137 -4.422 290 HG LEU 39 HG LEU 39 -1.019 5.891 -5.353 291 1HD1 LEU 39 1HD1 LEU 39 -3.233 3.860 -5.597 292 2HD1 LEU 39 2HD1 LEU 39 -1.697 3.654 -4.755 293 3HD1 LEU 39 3HD1 LEU 39 -1.725 3.824 -6.510 294 1HD2 LEU 39 1HD2 LEU 39 -2.420 7.388 -6.635 295 2HD2 LEU 39 2HD2 LEU 39 -3.683 6.161 -6.746 296 3HD2 LEU 39 3HD2 LEU 39 -2.140 5.916 -7.567 297 H THR 40 H THR 40 -3.966 9.177 -4.763 298 HA THR 40 HA THR 40 -5.451 9.840 -2.343 299 HB THR 40 HB THR 40 -5.753 10.977 -5.139 300 HG1 THR 40 HG1 THR 40 -4.096 11.679 -2.984 301 1HG2 THR 40 1HG2 THR 40 -6.467 12.436 -2.632 302 2HG2 THR 40 2HG2 THR 40 -7.614 11.306 -3.356 303 3HG2 THR 40 3HG2 THR 40 -7.033 12.688 -4.286 304 H ILE 41 H ILE 41 -6.994 8.467 -1.811 305 HA ILE 41 HA ILE 41 -8.655 7.260 -3.934 306 HB ILE 41 HB ILE 41 -8.146 6.196 -1.138 307 1HG1 ILE 41 2HG1 ILE 41 -7.045 5.116 -3.744 308 2HG1 ILE 41 1HG1 ILE 41 -6.144 6.218 -2.713 309 1HG2 ILE 41 1HG2 ILE 41 -9.165 4.128 -1.993 310 2HG2 ILE 41 2HG2 ILE 41 -9.483 4.925 -3.534 311 3HG2 ILE 41 3HG2 ILE 41 -10.290 5.484 -2.069 312 1HD1 ILE 41 1HD1 ILE 41 -6.450 4.502 -0.867 313 2HD1 ILE 41 2HD1 ILE 41 -5.354 4.084 -2.188 314 3HD1 ILE 41 3HD1 ILE 41 -6.979 3.400 -2.140 315 H HIS 42 H HIS 42 -10.905 7.159 -3.652 316 HA HIS 42 HA HIS 42 -11.979 8.962 -1.586 317 1HB HIS 42 2HB HIS 42 -13.066 8.310 -4.334 318 2HB HIS 42 1HB HIS 42 -13.941 9.241 -3.125 319 HD1 HIS 42 HD1 HIS 42 -12.250 11.367 -2.204 320 HD2 HIS 42 HD2 HIS 42 -11.875 9.960 -6.096 321 HE1 HIS 42 HE1 HIS 42 -11.131 13.221 -3.484 322 HE2 HIS 42 HE2 HIS 42 -11.005 12.383 -5.858 323 H ARG 43 H ARG 43 -14.035 8.422 -0.686 324 HA ARG 43 HA ARG 43 -14.194 5.757 0.211 325 1HB ARG 43 2HB ARG 43 -14.943 7.875 1.394 326 2HB ARG 43 1HB ARG 43 -16.377 7.833 0.381 327 1HG ARG 43 1HG ARG 43 -17.049 5.730 1.331 328 2HG ARG 43 2HG ARG 43 -15.542 5.626 2.250 329 1HD ARG 43 2HD ARG 43 -17.687 7.720 2.581 330 2HD ARG 43 1HD ARG 43 -17.378 6.368 3.667 331 HE ARG 43 HE ARG 43 -15.023 7.854 3.419 332 1HH1 ARG 43 1HH1 ARG 43 -18.234 8.215 4.781 333 2HH1 ARG 43 2HH1 ARG 43 -17.714 9.320 6.007 334 1HH2 ARG 43 1HH2 ARG 43 -14.360 9.304 5.034 335 2HH2 ARG 43 2HH2 ARG 43 -15.523 9.937 6.151 336 H GLY 44 H GLY 44 -14.893 4.048 -0.892 337 1HA GLY 44 2HA GLY 44 -16.711 2.819 -1.824 338 2HA GLY 44 1HA GLY 44 -17.351 4.314 -2.479 339 H GLN 45 H GLN 45 -14.109 4.404 -3.155 340 HA GLN 45 HA GLN 45 -14.603 3.706 -5.912 341 1HB GLN 45 1HB GLN 45 -12.203 4.815 -4.482 342 2HB GLN 45 2HB GLN 45 -12.127 4.316 -6.166 343 1HG GLN 45 1HG GLN 45 -14.109 5.881 -6.533 344 2HG GLN 45 2HG GLN 45 -13.724 6.536 -4.941 345 1HE2 GLN 45 1HE2 GLN 45 -13.337 7.091 -8.094 346 2HE2 GLN 45 2HE2 GLN 45 -11.829 7.934 -8.089 347 H VAL 46 H VAL 46 -13.042 2.397 -7.149 348 HA VAL 46 HA VAL 46 -12.562 -0.148 -5.771 349 HB VAL 46 HB VAL 46 -12.341 0.324 -8.743 350 1HG1 VAL 46 1HG1 VAL 46 -11.431 -1.764 -7.835 351 2HG1 VAL 46 2HG1 VAL 46 -12.805 -2.044 -8.904 352 3HG1 VAL 46 3HG1 VAL 46 -13.012 -2.146 -7.155 353 1HG2 VAL 46 1HG2 VAL 46 -14.518 1.063 -8.406 354 2HG2 VAL 46 2HG2 VAL 46 -14.819 -0.097 -7.112 355 3HG2 VAL 46 3HG2 VAL 46 -14.719 -0.647 -8.785 356 H VAL 47 H VAL 47 -10.558 -0.514 -5.052 357 HA VAL 47 HA VAL 47 -8.283 0.687 -6.499 358 HB VAL 47 HB VAL 47 -8.148 -0.320 -3.661 359 1HG1 VAL 47 1HG1 VAL 47 -6.052 0.456 -3.643 360 2HG1 VAL 47 2HG1 VAL 47 -6.493 1.943 -4.481 361 3HG1 VAL 47 3HG1 VAL 47 -6.193 0.469 -5.401 362 1HG2 VAL 47 1HG2 VAL 47 -8.202 2.486 -3.588 363 2HG2 VAL 47 2HG2 VAL 47 -9.398 1.365 -2.934 364 3HG2 VAL 47 3HG2 VAL 47 -9.581 1.993 -4.571 365 H TYR 48 H TYR 48 -6.857 -0.656 -7.467 366 HA TYR 48 HA TYR 48 -7.162 -3.525 -6.974 367 1HB TYR 48 2HB TYR 48 -5.932 -1.991 -9.258 368 2HB TYR 48 1HB TYR 48 -5.621 -3.699 -9.033 369 HD1 TYR 48 HD1 TYR 48 -6.728 -4.922 -10.612 370 HD2 TYR 48 HD2 TYR 48 -8.771 -1.634 -8.844 371 HE1 TYR 48 HE1 TYR 48 -8.739 -5.479 -11.908 372 HE2 TYR 48 HE2 TYR 48 -10.785 -2.187 -10.135 373 HH TYR 48 HH TYR 48 -11.222 -5.108 -11.706 374 H VAL 49 H VAL 49 -5.769 -4.544 -5.691 375 HA VAL 49 HA VAL 49 -3.308 -3.226 -4.877 376 HB VAL 49 HB VAL 49 -4.361 -5.924 -3.993 377 1HG1 VAL 49 1HG1 VAL 49 -2.960 -5.306 -1.934 378 2HG1 VAL 49 2HG1 VAL 49 -2.187 -4.118 -2.984 379 3HG1 VAL 49 3HG1 VAL 49 -2.107 -5.835 -3.384 380 1HG2 VAL 49 1HG2 VAL 49 -5.330 -3.281 -3.401 381 2HG2 VAL 49 2HG2 VAL 49 -4.717 -4.055 -1.939 382 3HG2 VAL 49 3HG2 VAL 49 -5.967 -4.847 -2.897 383 H PHE 50 H PHE 50 -1.432 -3.551 -5.882 384 HA PHE 50 HA PHE 50 -1.157 -5.861 -7.657 385 1HB PHE 50 1HB PHE 50 0.196 -3.183 -7.548 386 2HB PHE 50 2HB PHE 50 0.928 -4.518 -8.429 387 HD1 PHE 50 HD1 PHE 50 -2.264 -2.592 -8.187 388 HD2 PHE 50 HD2 PHE 50 0.353 -4.900 -10.627 389 HE1 PHE 50 HE1 PHE 50 -3.648 -2.078 -10.154 390 HE2 PHE 50 HE2 PHE 50 -1.028 -4.387 -12.596 391 HZ PHE 50 HZ PHE 50 -3.030 -2.975 -12.362 392 H SER 51 H SER 51 0.330 -4.386 -4.823 393 HA SER 51 HA SER 51 1.830 -6.848 -4.392 394 1HB SER 51 2HB SER 51 3.955 -5.638 -3.987 395 2HB SER 51 1HB SER 51 3.420 -5.508 -5.660 396 HG SER 51 HG SER 51 4.071 -3.538 -4.166 397 H LYS 52 H LYS 52 2.812 -6.997 -2.267 398 HA LYS 52 HA LYS 52 1.594 -5.216 -0.255 399 1HB LYS 52 2HB LYS 52 2.028 -8.180 0.166 400 2HB LYS 52 1HB LYS 52 1.201 -7.066 1.231 401 1HG LYS 52 1HG LYS 52 -0.585 -6.801 -0.404 402 2HG LYS 52 2HG LYS 52 0.247 -7.907 -1.498 403 1HD LYS 52 1HD LYS 52 0.052 -9.695 0.162 404 2HD LYS 52 2HD LYS 52 -0.782 -8.589 1.255 405 1HE LYS 52 2HE LYS 52 -2.579 -8.325 -0.383 406 2HE LYS 52 1HE LYS 52 -1.744 -9.431 -1.479 407 1HZ LYS 52 1HZ LYS 52 -1.899 -11.096 0.402 408 2HZ LYS 52 2HZ LYS 52 -3.344 -10.719 -0.391 409 3HZ LYS 52 3HZ LYS 52 -3.011 -10.045 1.124 410 H LEU 53 H LEU 53 3.253 -4.058 0.532 411 HA LEU 53 HA LEU 53 5.958 -4.892 0.416 412 1HB LEU 53 1HB LEU 53 4.760 -2.696 2.105 413 2HB LEU 53 2HB LEU 53 6.455 -2.874 1.682 414 HG LEU 53 HG LEU 53 4.249 -2.373 -0.326 415 1HD1 LEU 53 1HD2 LEU 53 5.241 -0.589 1.540 416 2HD1 LEU 53 2HD2 LEU 53 4.392 -0.189 0.047 417 3HD1 LEU 53 3HD2 LEU 53 6.154 -0.232 0.074 418 1HD2 LEU 53 1HD1 LEU 53 6.658 -1.525 -1.373 419 2HD2 LEU 53 2HD1 LEU 53 5.803 -3.011 -1.792 420 3HD2 LEU 53 3HD1 LEU 53 7.067 -3.035 -0.560 421 H LYS 54 H LYS 54 7.449 -5.223 2.150 422 HA LYS 54 HA LYS 54 6.280 -6.248 4.662 423 1HB LYS 54 2HB LYS 54 8.472 -7.608 3.068 424 2HB LYS 54 1HB LYS 54 7.845 -8.146 4.616 425 1HG LYS 54 2HG LYS 54 5.642 -8.500 3.565 426 2HG LYS 54 1HG LYS 54 6.360 -8.084 2.008 427 1HD LYS 54 2HD LYS 54 7.351 -10.315 3.778 428 2HD LYS 54 1HD LYS 54 6.201 -10.538 2.470 429 1HE LYS 54 2HE LYS 54 9.025 -9.514 2.204 430 2HE LYS 54 1HE LYS 54 8.451 -11.115 1.743 431 1HZ LYS 54 1HZ LYS 54 8.459 -8.772 0.215 432 2HZ LYS 54 2HZ LYS 54 6.846 -9.214 0.466 433 3HZ LYS 54 3HZ LYS 54 7.923 -10.313 -0.233 434 H GLY 55 H GLY 55 8.480 -6.957 6.037 435 1HA GLY 55 2HA GLY 55 10.509 -6.247 6.956 436 2HA GLY 55 1HA GLY 55 10.524 -4.899 5.830 437 H ARG 56 H ARG 56 9.888 -2.944 6.507 438 HA ARG 56 HA ARG 56 8.940 -2.732 9.277 439 1HB ARG 56 1HB ARG 56 9.741 -0.383 9.162 440 2HB ARG 56 2HB ARG 56 11.016 -1.563 8.899 441 1HG ARG 56 2HG ARG 56 10.890 -1.167 6.490 442 2HG ARG 56 1HG ARG 56 9.609 0.018 6.754 443 1HD ARG 56 2HD ARG 56 11.136 1.386 8.079 444 2HD ARG 56 1HD ARG 56 12.415 0.195 7.851 445 HE ARG 56 HE ARG 56 11.625 2.233 6.024 446 1HH1 ARG 56 1HH1 ARG 56 12.976 -1.007 6.153 447 2HH1 ARG 56 2HH1 ARG 56 13.724 -0.878 4.597 448 1HH2 ARG 56 1HH2 ARG 56 12.617 2.378 3.991 449 2HH2 ARG 56 2HH2 ARG 56 13.523 1.035 3.376 450 H GLY 57 H GLY 57 7.733 -2.717 6.215 451 1HA GLY 57 1HA GLY 57 5.442 -1.053 7.032 452 2HA GLY 57 2HA GLY 57 6.142 -0.880 5.431 453 H ARG 58 H ARG 58 5.234 -3.666 7.464 454 HA ARG 58 HA ARG 58 4.269 -5.145 5.224 455 1HB ARG 58 1HB ARG 58 3.382 -6.730 7.023 456 2HB ARG 58 2HB ARG 58 5.120 -6.506 6.926 457 1HG ARG 58 1HG ARG 58 3.741 -4.696 8.781 458 2HG ARG 58 2HG ARG 58 3.689 -6.406 9.212 459 1HD ARG 58 2HD ARG 58 6.223 -4.952 8.481 460 2HD ARG 58 1HD ARG 58 5.646 -5.114 10.140 461 HE ARG 58 HE ARG 58 6.995 -7.084 8.587 462 1HH1 ARG 58 1HH1 ARG 58 4.607 -6.732 11.140 463 2HH1 ARG 58 2HH1 ARG 58 4.875 -8.325 11.762 464 1HH2 ARG 58 1HH2 ARG 58 7.327 -9.164 9.424 465 2HH2 ARG 58 2HH2 ARG 58 6.412 -9.699 10.794 466 H LEU 59 H LEU 59 2.889 -2.723 7.112 467 HA LEU 59 HA LEU 59 0.159 -3.632 6.618 468 1HB LEU 59 2HB LEU 59 -0.565 -1.770 8.023 469 2HB LEU 59 1HB LEU 59 0.589 -2.787 8.855 470 HG LEU 59 HG LEU 59 1.572 -0.304 7.503 471 1HD1 LEU 59 1HD1 LEU 59 -0.034 -0.451 10.031 472 2HD1 LEU 59 2HD1 LEU 59 -0.199 0.666 8.676 473 3HD1 LEU 59 3HD1 LEU 59 1.170 0.812 9.778 474 1HD2 LEU 59 1HD2 LEU 59 3.446 -0.834 8.574 475 2HD2 LEU 59 2HD2 LEU 59 2.667 -2.297 9.174 476 3HD2 LEU 59 3HD2 LEU 59 2.599 -0.810 10.120 477 H PHE 60 H PHE 60 2.395 -2.225 4.807 478 HA PHE 60 HA PHE 60 0.572 -0.268 3.581 479 1HB PHE 60 2HB PHE 60 3.579 -0.519 3.465 480 2HB PHE 60 1HB PHE 60 2.675 0.506 2.359 481 HD1 PHE 60 HD1 PHE 60 1.950 2.644 3.003 482 HD2 PHE 60 HD2 PHE 60 3.492 -0.029 5.936 483 HE1 PHE 60 HE1 PHE 60 2.032 4.484 4.633 484 HE2 PHE 60 HE2 PHE 60 3.570 1.807 7.572 485 HZ PHE 60 HZ PHE 60 2.839 4.066 6.921 486 H TRP 61 H TRP 61 -0.435 -0.848 1.815 487 HA TRP 61 HA TRP 61 0.674 -3.008 0.153 488 1HB TRP 61 2HB TRP 61 -2.161 -2.176 0.744 489 2HB TRP 61 1HB TRP 61 -1.774 -3.166 -0.655 490 HD1 TRP 61 HD1 TRP 61 0.527 -4.458 1.804 491 HE1 TRP 61 HE1 TRP 61 -0.423 -6.495 3.039 492 HE3 TRP 61 HE3 TRP 61 -4.414 -3.938 0.568 493 HZ2 TRP 61 HZ2 TRP 61 -2.929 -7.713 3.467 494 HZ3 TRP 61 HZ3 TRP 61 -6.020 -5.581 1.445 495 HH2 TRP 61 HH2 TRP 61 -5.293 -7.429 2.863 496 H GLY 62 H GLY 62 1.260 -2.567 -1.863 497 1HA GLY 62 2HA GLY 62 0.761 0.127 -2.905 498 2HA GLY 62 1HA GLY 62 1.961 -1.046 -3.521 499 H GLY 63 H GLY 63 0.248 0.428 -5.161 500 1HA GLY 63 2HA GLY 63 -0.622 -1.336 -7.030 501 2HA GLY 63 1HA GLY 63 -2.006 -1.173 -5.958 502 H SER 64 H SER 64 -3.222 -0.268 -7.644 503 HA SER 64 HA SER 64 -2.893 2.603 -7.903 504 1HB SER 64 2HB SER 64 -3.016 0.804 -10.340 505 2HB SER 64 1HB SER 64 -3.184 2.561 -10.378 506 HG SER 64 HG SER 64 -0.931 0.994 -10.040 507 H VAL 65 H VAL 65 -4.810 3.598 -7.785 508 HA VAL 65 HA VAL 65 -7.201 1.946 -7.641 509 HB VAL 65 HB VAL 65 -6.874 3.474 -5.801 510 1HG1 VAL 65 1HG1 VAL 65 -6.855 5.679 -7.857 511 2HG1 VAL 65 2HG1 VAL 65 -5.513 5.175 -6.830 512 3HG1 VAL 65 3HG1 VAL 65 -6.937 5.928 -6.113 513 1HG2 VAL 65 1HG2 VAL 65 -9.091 3.543 -5.727 514 2HG2 VAL 65 2HG2 VAL 65 -9.202 3.543 -7.489 515 3HG2 VAL 65 3HG2 VAL 65 -9.021 5.067 -6.613 516 H GLN 66 H GLN 66 -8.901 1.998 -9.002 517 HA GLN 66 HA GLN 66 -8.547 3.361 -11.535 518 1HB GLN 66 2HB GLN 66 -10.766 1.522 -10.629 519 2HB GLN 66 1HB GLN 66 -10.482 2.070 -12.275 520 1HG GLN 66 2HG GLN 66 -8.081 1.003 -11.706 521 2HG GLN 66 1HG GLN 66 -9.119 0.004 -10.696 522 1HE2 GLN 66 1HE2 GLN 66 -11.003 0.951 -13.262 523 2HE2 GLN 66 2HE2 GLN 66 -10.743 -0.399 -14.301 524 H GLY 67 H GLY 67 -10.965 3.996 -12.457 525 1HA GLY 67 1HA GLY 67 -12.991 5.218 -11.877 526 2HA GLY 67 2HA GLY 67 -12.107 5.920 -10.526 527 H ASP 68 H ASP 68 -9.944 6.956 -11.363 528 HA ASP 68 HA ASP 68 -10.623 8.726 -13.621 529 1HB ASP 68 2HB ASP 68 -8.952 9.310 -11.160 530 2HB ASP 68 1HB ASP 68 -9.134 10.407 -12.523 531 H TYR 69 H TYR 69 -8.799 6.186 -12.731 532 HA TYR 69 HA TYR 69 -6.425 6.912 -14.288 533 1HB TYR 69 2HB TYR 69 -6.982 4.802 -12.213 534 2HB TYR 69 1HB TYR 69 -5.621 4.640 -13.307 535 HD1 TYR 69 HD1 TYR 69 -3.709 4.942 -12.072 536 HD2 TYR 69 HD2 TYR 69 -6.939 7.646 -11.452 537 HE1 TYR 69 HE1 TYR 69 -2.309 6.257 -10.545 538 HE2 TYR 69 HE2 TYR 69 -5.540 8.971 -9.927 539 HH TYR 69 HH TYR 69 -2.916 9.311 -9.660 540 H TYR 70 H TYR 70 -6.990 6.604 -16.369 541 HA TYR 70 HA TYR 70 -8.493 4.283 -17.176 542 1HB TYR 70 2HB TYR 70 -8.126 5.339 -19.531 543 2HB TYR 70 1HB TYR 70 -9.184 6.124 -18.382 544 HD1 TYR 70 HD1 TYR 70 -5.534 6.266 -19.317 545 HD2 TYR 70 HD2 TYR 70 -9.062 8.385 -18.232 546 HE1 TYR 70 HE1 TYR 70 -4.332 8.393 -19.573 547 HE2 TYR 70 HE2 TYR 70 -7.866 10.516 -18.487 548 HH TYR 70 HH TYR 70 -5.702 11.416 -18.564 549 H GLY 71 H GLY 71 -6.507 4.589 -19.802 550 1HA GLY 71 2HA GLY 71 -5.128 2.152 -19.112 551 2HA GLY 71 1HA GLY 71 -5.130 2.945 -20.677 552 H ASP 72 H ASP 72 -4.150 5.453 -20.009 553 HA ASP 72 HA ASP 72 -1.360 4.890 -19.832 554 1HB ASP 72 1HB ASP 72 -2.844 7.520 -19.889 555 2HB ASP 72 2HB ASP 72 -1.094 7.365 -19.985 556 H LEU 73 H LEU 73 -3.773 5.809 -17.522 557 HA LEU 73 HA LEU 73 -1.743 6.575 -15.567 558 1HB LEU 73 1HB LEU 73 -4.576 7.152 -15.928 559 2HB LEU 73 2HB LEU 73 -4.183 6.707 -14.278 560 HG LEU 73 HG LEU 73 -2.736 8.887 -15.785 561 1HD1 LEU 73 1HD1 LEU 73 -5.147 9.393 -15.543 562 2HD1 LEU 73 2HD1 LEU 73 -4.115 10.476 -14.610 563 3HD1 LEU 73 3HD1 LEU 73 -4.987 9.175 -13.800 564 1HD2 LEU 73 1HD2 LEU 73 -2.443 7.616 -13.182 565 2HD2 LEU 73 2HD2 LEU 73 -2.642 9.367 -13.065 566 3HD2 LEU 73 3HD2 LEU 73 -1.343 8.693 -14.047 567 H ALA 74 H ALA 74 -0.774 4.823 -14.860 568 HA ALA 74 HA ALA 74 -1.750 3.287 -12.792 569 1HB ALA 74 1HB ALA 74 -2.661 2.207 -15.260 570 2HB ALA 74 2HB ALA 74 -2.858 1.556 -13.631 571 3HB ALA 74 3HB ALA 74 -1.447 1.111 -14.597 572 H ALA 75 H ALA 75 0.517 4.048 -15.182 573 HA ALA 75 HA ALA 75 2.544 2.139 -14.662 574 1HB ALA 75 1HB ALA 75 2.353 4.723 -16.084 575 2HB ALA 75 2HB ALA 75 3.023 3.181 -16.616 576 3HB ALA 75 3HB ALA 75 3.962 4.231 -15.555 577 H ARG 76 H ARG 76 1.756 5.287 -13.287 578 HA ARG 76 HA ARG 76 4.070 5.325 -11.575 579 1HB ARG 76 2HB ARG 76 2.864 7.315 -10.514 580 2HB ARG 76 1HB ARG 76 3.358 7.481 -12.191 581 1HG ARG 76 2HG ARG 76 1.102 7.102 -12.946 582 2HG ARG 76 1HG ARG 76 0.572 6.769 -11.296 583 1HD ARG 76 2HD ARG 76 -0.024 9.038 -11.989 584 2HD ARG 76 1HD ARG 76 1.109 9.046 -10.641 585 HE ARG 76 HE ARG 76 2.574 10.187 -11.957 586 1HH1 ARG 76 1HH1 ARG 76 0.308 8.589 -14.114 587 2HH1 ARG 76 2HH1 ARG 76 0.989 9.301 -15.536 588 1HH2 ARG 76 1HH2 ARG 76 3.444 11.106 -13.835 589 2HH2 ARG 76 2HH2 ARG 76 2.761 10.723 -15.379 590 H LEU 77 H LEU 77 3.997 3.485 -10.393 591 HA LEU 77 HA LEU 77 1.747 2.530 -8.972 592 1HB LEU 77 1HB LEU 77 4.206 1.556 -9.649 593 2HB LEU 77 2HB LEU 77 4.382 1.800 -7.924 594 HG LEU 77 HG LEU 77 3.696 -0.488 -8.509 595 1HD1 LEU 77 1HD1 LEU 77 2.417 -0.760 -6.674 596 2HD1 LEU 77 2HD1 LEU 77 1.314 0.542 -7.122 597 3HD1 LEU 77 3HD1 LEU 77 2.886 0.921 -6.414 598 1HD2 LEU 77 1HD2 LEU 77 1.624 -1.048 -9.458 599 2HD2 LEU 77 2HD2 LEU 77 2.301 0.208 -10.492 600 3HD2 LEU 77 3HD2 LEU 77 1.031 0.608 -9.333 601 H GLY 78 H GLY 78 0.886 3.161 -7.108 602 1HA GLY 78 1HA GLY 78 2.521 4.858 -5.312 603 2HA GLY 78 2HA GLY 78 0.801 5.113 -5.577 604 H TYR 79 H TYR 79 1.725 4.842 -3.006 605 HA TYR 79 HA TYR 79 0.881 2.107 -2.304 606 1HB TYR 79 2HB TYR 79 2.604 3.925 -0.603 607 2HB TYR 79 1HB TYR 79 2.244 2.222 -0.318 608 HD1 TYR 79 HD1 TYR 79 4.583 4.493 -1.673 609 HD2 TYR 79 HD2 TYR 79 3.020 0.576 -2.233 610 HE1 TYR 79 HE1 TYR 79 6.583 3.887 -2.964 611 HE2 TYR 79 HE2 TYR 79 5.015 -0.043 -3.528 612 HH TYR 79 HH TYR 79 7.705 2.228 -3.955 613 H PHE 80 H PHE 80 -0.365 1.837 -0.367 614 HA PHE 80 HA PHE 80 -1.683 4.154 0.771 615 1HB PHE 80 2HB PHE 80 -3.975 3.205 0.231 616 2HB PHE 80 1HB PHE 80 -3.099 3.885 -1.137 617 HD1 PHE 80 HD1 PHE 80 -4.206 0.733 0.457 618 HD2 PHE 80 HD2 PHE 80 -2.490 2.541 -2.997 619 HE1 PHE 80 HE1 PHE 80 -4.524 -1.360 -0.795 620 HE2 PHE 80 HE2 PHE 80 -2.806 0.449 -4.250 621 HZ PHE 80 HZ PHE 80 -3.824 -1.504 -3.150 622 HA PRO 81 HA PRO 81 -1.767 1.466 4.320 623 1HB PRO 81 2HB PRO 81 -4.223 2.703 5.321 624 2HB PRO 81 1HB PRO 81 -2.584 2.800 5.967 625 1HG PRO 81 2HG PRO 81 -3.792 4.916 4.819 626 2HG PRO 81 1HG PRO 81 -2.044 4.640 4.687 627 1HD PRO 81 2HD PRO 81 -4.211 4.037 2.697 628 2HD PRO 81 1HD PRO 81 -2.620 4.790 2.435 629 H SER 82 H SER 82 -2.464 -0.545 4.649 630 HA SER 82 HA SER 82 -4.558 -1.692 3.141 631 1HB SER 82 2HB SER 82 -4.074 -3.740 4.394 632 2HB SER 82 1HB SER 82 -2.572 -2.943 3.929 633 HG SER 82 HG SER 82 -2.585 -3.640 6.127 634 H SER 83 H SER 83 -4.500 -0.124 6.196 635 HA SER 83 HA SER 83 -6.735 -1.314 7.431 636 1HB SER 83 1HB SER 83 -5.073 -0.006 8.667 637 2HB SER 83 2HB SER 83 -5.577 1.453 7.816 638 HG SER 83 HG SER 83 -7.068 -0.095 9.658 639 H ILE 84 H ILE 84 -6.564 1.027 4.848 640 HA ILE 84 HA ILE 84 -9.351 1.790 5.340 641 HB ILE 84 HB ILE 84 -9.111 3.542 3.695 642 1HG1 ILE 84 2HG1 ILE 84 -6.178 2.959 3.456 643 2HG1 ILE 84 1HG1 ILE 84 -7.325 2.185 2.360 644 1HG2 ILE 84 1HG2 ILE 84 -7.194 4.798 4.874 645 2HG2 ILE 84 2HG2 ILE 84 -7.085 3.361 5.892 646 3HG2 ILE 84 3HG2 ILE 84 -8.586 4.284 5.829 647 1HD1 ILE 84 1HD1 ILE 84 -6.277 4.876 2.358 648 2HD1 ILE 84 2HD1 ILE 84 -8.040 4.846 2.315 649 3HD1 ILE 84 3HD1 ILE 84 -7.114 3.984 1.087 650 H VAL 85 H VAL 85 -7.879 -0.664 3.746 651 HA VAL 85 HA VAL 85 -9.975 -0.682 1.667 652 HB VAL 85 HB VAL 85 -8.559 -2.036 0.227 653 1HG1 VAL 85 1HG1 VAL 85 -6.714 -0.317 -0.173 654 2HG1 VAL 85 2HG1 VAL 85 -7.421 0.569 1.178 655 3HG1 VAL 85 3HG1 VAL 85 -8.385 0.239 -0.261 656 1HG2 VAL 85 1HG2 VAL 85 -6.045 -2.100 0.892 657 2HG2 VAL 85 2HG2 VAL 85 -7.151 -3.313 1.541 658 3HG2 VAL 85 3HG2 VAL 85 -6.662 -1.939 2.536 659 H ARG 86 H ARG 86 -10.839 -2.747 1.061 660 HA ARG 86 HA ARG 86 -10.483 -4.882 3.044 661 1HB ARG 86 1HB ARG 86 -12.500 -3.534 3.626 662 2HB ARG 86 2HB ARG 86 -13.179 -3.934 2.055 663 1HG ARG 86 1HG ARG 86 -13.171 -6.305 2.654 664 2HG ARG 86 2HG ARG 86 -12.490 -5.902 4.231 665 1HD ARG 86 2HD ARG 86 -15.141 -4.927 3.180 666 2HD ARG 86 1HD ARG 86 -14.930 -6.265 4.307 667 HE ARG 86 HE ARG 86 -13.670 -4.005 5.374 668 1HH1 ARG 86 1HH1 ARG 86 -16.919 -5.120 4.659 669 2HH1 ARG 86 2HH1 ARG 86 -17.642 -4.175 5.915 670 1HH2 ARG 86 1HH2 ARG 86 -14.638 -2.775 7.016 671 2HH2 ARG 86 2HH2 ARG 86 -16.353 -2.848 7.249 672 H GLU 87 H GLU 87 -9.667 -6.491 1.894 673 HA GLU 87 HA GLU 87 -10.133 -6.864 -0.890 674 1HB GLU 87 1HB GLU 87 -8.715 -8.408 1.245 675 2HB GLU 87 2HB GLU 87 -9.014 -9.165 -0.313 676 1HG GLU 87 2HG GLU 87 -7.814 -7.328 -1.412 677 2HG GLU 87 1HG GLU 87 -7.490 -6.614 0.164 678 H ASP 88 H ASP 88 -11.855 -7.713 -1.804 679 HA ASP 88 HA ASP 88 -13.575 -9.504 -0.230 680 1HB ASP 88 2HB ASP 88 -14.623 -7.413 -1.025 681 2HB ASP 88 1HB ASP 88 -14.257 -7.870 -2.685 682 H GLN 89 H GLN 89 -12.003 -9.119 -3.385 683 HA GLN 89 HA GLN 89 -12.274 -12.029 -3.774 684 1HB GLN 89 2HB GLN 89 -14.030 -10.735 -5.074 685 2HB GLN 89 1HB GLN 89 -12.713 -10.058 -6.020 686 1HG GLN 89 1HG GLN 89 -12.362 -12.856 -6.008 687 2HG GLN 89 2HG GLN 89 -14.065 -12.546 -6.339 688 1HE2 GLN 89 1HE2 GLN 89 -11.161 -12.998 -7.737 689 2HE2 GLN 89 2HE2 GLN 89 -11.404 -12.177 -9.234 690 H THR 90 H THR 90 -10.599 -13.035 -4.841 691 HA THR 90 HA THR 90 -8.186 -11.411 -5.288 692 HB THR 90 HB THR 90 -8.420 -14.405 -4.926 693 HG1 THR 90 HG1 THR 90 -7.975 -12.321 -3.095 694 1HG2 THR 90 1HG2 THR 90 -6.367 -13.846 -6.053 695 2HG2 THR 90 2HG2 THR 90 -6.031 -14.325 -4.390 696 3HG2 THR 90 3HG2 THR 90 -6.005 -12.619 -4.838 697 H LEU 91 H LEU 91 -7.648 -10.999 -7.326 698 HA LEU 91 HA LEU 91 -8.976 -12.354 -9.517 699 1HB LEU 91 1HB LEU 91 -6.850 -10.246 -9.784 700 2HB LEU 91 2HB LEU 91 -8.155 -10.619 -10.892 701 HG LEU 91 HG LEU 91 -8.589 -9.392 -8.167 702 1HD1 LEU 91 1HD2 LEU 91 -8.960 -7.722 -10.544 703 2HD1 LEU 91 2HD2 LEU 91 -7.285 -8.148 -10.190 704 3HD1 LEU 91 3HD2 LEU 91 -8.264 -7.330 -8.972 705 1HD2 LEU 91 1HD1 LEU 91 -10.366 -9.845 -10.546 706 2HD2 LEU 91 2HD1 LEU 91 -10.753 -8.693 -9.266 707 3HD2 LEU 91 3HD1 LEU 91 -10.584 -10.407 -8.887 708 H LYS 92 H LYS 92 -5.845 -12.319 -8.031 709 HA LYS 92 HA LYS 92 -4.976 -14.587 -9.579 710 1HB LYS 92 2HB LYS 92 -4.409 -12.633 -11.045 711 2HB LYS 92 1HB LYS 92 -3.357 -12.034 -9.777 712 1HG LYS 92 2HG LYS 92 -1.698 -13.232 -10.618 713 2HG LYS 92 1HG LYS 92 -2.593 -14.703 -10.245 714 1HD LYS 92 1HD LYS 92 -2.910 -13.122 -12.796 715 2HD LYS 92 2HD LYS 92 -1.861 -14.526 -12.624 716 1HE LYS 92 2HE LYS 92 -4.850 -14.528 -12.205 717 2HE LYS 92 1HE LYS 92 -4.023 -15.088 -13.658 718 1HZ LYS 92 1HZ LYS 92 -3.961 -17.065 -12.680 719 2HZ LYS 92 2HZ LYS 92 -4.451 -16.444 -11.185 720 3HZ LYS 92 3HZ LYS 92 -2.814 -16.436 -11.607 721 HA PRO 93 HA PRO 93 -3.170 -15.509 -5.560 722 1HB PRO 93 1HB PRO 93 -1.265 -17.057 -7.265 723 2HB PRO 93 2HB PRO 93 -2.127 -17.565 -5.813 724 1HG PRO 93 1HG PRO 93 -2.984 -18.388 -8.144 725 2HG PRO 93 2HG PRO 93 -4.167 -17.754 -6.978 726 1HD PRO 93 1HD PRO 93 -2.929 -16.386 -9.347 727 2HD PRO 93 2HD PRO 93 -4.623 -16.424 -8.839 728 H GLY 94 H GLY 94 -1.839 -14.289 -4.406 729 1HA GLY 94 1HA GLY 94 0.508 -13.079 -5.712 730 2HA GLY 94 2HA GLY 94 -0.288 -12.461 -4.271 731 H LYS 95 H LYS 95 1.703 -15.049 -5.531 732 HA LYS 95 HA LYS 95 2.835 -15.420 -2.853 733 1HB LYS 95 1HB LYS 95 3.187 -17.880 -3.672 734 2HB LYS 95 2HB LYS 95 1.649 -17.378 -2.984 735 1HG LYS 95 2HG LYS 95 0.665 -17.183 -5.156 736 2HG LYS 95 1HG LYS 95 2.223 -17.460 -5.935 737 1HD LYS 95 2HD LYS 95 0.938 -19.487 -6.054 738 2HD LYS 95 1HD LYS 95 2.263 -19.734 -4.919 739 1HE LYS 95 2HE LYS 95 0.212 -20.703 -4.049 740 2HE LYS 95 1HE LYS 95 0.713 -19.340 -3.048 741 1HZ LYS 95 1HZ LYS 95 -1.697 -19.403 -3.557 742 2HZ LYS 95 2HZ LYS 95 -1.334 -19.154 -5.189 743 3HZ LYS 95 3HZ LYS 95 -0.942 -17.971 -4.047 744 H VAL 96 H VAL 96 3.796 -13.776 -5.055 745 HA VAL 96 HA VAL 96 6.351 -15.145 -5.639 746 HB VAL 96 HB VAL 96 5.148 -12.844 -7.203 747 1HG1 VAL 96 1HG1 VAL 96 7.540 -14.609 -7.704 748 2HG1 VAL 96 2HG1 VAL 96 7.527 -12.868 -7.427 749 3HG1 VAL 96 3HG1 VAL 96 6.841 -13.530 -8.911 750 1HG2 VAL 96 1HG2 VAL 96 5.016 -14.807 -8.969 751 2HG2 VAL 96 2HG2 VAL 96 3.704 -14.499 -7.831 752 3HG2 VAL 96 3HG2 VAL 96 4.864 -15.788 -7.510 753 H ASP 97 H ASP 97 8.223 -14.178 -4.975 754 HA ASP 97 HA ASP 97 7.957 -11.650 -3.481 755 1HB ASP 97 2HB ASP 97 8.701 -13.573 -2.147 756 2HB ASP 97 1HB ASP 97 10.051 -13.825 -3.246 757 H VAL 98 H VAL 98 8.571 -9.938 -4.594 758 HA VAL 98 HA VAL 98 11.027 -10.093 -6.224 759 HB VAL 98 HB VAL 98 8.628 -8.353 -6.873 760 1HG1 VAL 98 1HG1 VAL 98 11.331 -8.250 -7.714 761 2HG1 VAL 98 2HG1 VAL 98 9.969 -7.280 -8.277 762 3HG1 VAL 98 3HG1 VAL 98 10.365 -8.797 -9.085 763 1HG2 VAL 98 1HG2 VAL 98 9.034 -11.130 -7.406 764 2HG2 VAL 98 2HG2 VAL 98 9.081 -10.234 -8.924 765 3HG2 VAL 98 3HG2 VAL 98 7.679 -10.097 -7.862 766 H LYS 99 H LYS 99 12.555 -8.634 -5.712 767 HA LYS 99 HA LYS 99 12.096 -6.801 -3.533 768 1HB LYS 99 2HB LYS 99 14.499 -6.261 -3.789 769 2HB LYS 99 1HB LYS 99 14.211 -7.988 -3.636 770 1HG LYS 99 2HG LYS 99 14.437 -8.194 -6.086 771 2HG LYS 99 1HG LYS 99 14.817 -6.474 -6.158 772 1HD LYS 99 2HD LYS 99 16.766 -6.838 -4.728 773 2HD LYS 99 1HD LYS 99 16.384 -8.559 -4.644 774 1HE LYS 99 2HE LYS 99 16.681 -8.742 -7.066 775 2HE LYS 99 1HE LYS 99 17.061 -7.022 -7.149 776 1HZ LYS 99 1HZ LYS 99 18.626 -9.050 -5.648 777 2HZ LYS 99 2HZ LYS 99 19.000 -7.406 -5.779 778 3HZ LYS 99 3HZ LYS 99 19.056 -8.397 -7.148 779 H THR 100 H THR 100 12.792 -4.490 -3.678 780 HA THR 100 HA THR 100 11.581 -3.264 -6.019 781 HB THR 100 HB THR 100 11.770 -1.158 -4.736 782 HG1 THR 100 HG1 THR 100 13.317 -2.788 -3.091 783 1HG2 THR 100 1HG2 THR 100 9.809 -1.732 -3.899 784 2HG2 THR 100 2HG2 THR 100 10.660 -2.423 -2.518 785 3HG2 THR 100 3HG2 THR 100 10.247 -3.440 -3.898 786 H ASP 101 H ASP 101 12.580 -1.864 -7.431 787 HA ASP 101 HA ASP 101 15.508 -1.997 -7.470 788 1HB ASP 101 1HB ASP 101 14.164 -2.889 -9.415 789 2HB ASP 101 2HB ASP 101 13.677 -1.234 -9.750 790 H LYS 102 H LYS 102 14.625 0.471 -9.551 791 HA LYS 102 HA LYS 102 14.965 2.491 -7.444 792 1HB LYS 102 2HB LYS 102 16.277 3.846 -9.015 793 2HB LYS 102 1HB LYS 102 17.027 2.285 -8.729 794 1HG LYS 102 2HG LYS 102 17.258 2.245 -10.953 795 2HG LYS 102 1HG LYS 102 15.568 1.746 -10.950 796 1HD LYS 102 2HD LYS 102 15.675 3.485 -12.530 797 2HD LYS 102 1HD LYS 102 14.996 4.233 -11.087 798 1HE LYS 102 2HE LYS 102 16.680 5.655 -12.147 799 2HE LYS 102 1HE LYS 102 17.170 5.168 -10.524 800 1HZ LYS 102 1HZ LYS 102 18.806 3.797 -11.337 801 2HZ LYS 102 2HZ LYS 102 18.846 5.043 -12.480 802 3HZ LYS 102 3HZ LYS 102 18.060 3.590 -12.842 803 H TRP 103 H TRP 103 13.060 1.401 -10.043 804 HA TRP 103 HA TRP 103 11.872 3.979 -10.626 805 1HB TRP 103 2HB TRP 103 11.115 1.210 -11.586 806 2HB TRP 103 1HB TRP 103 10.407 2.711 -12.168 807 HD1 TRP 103 HD1 TRP 103 13.576 0.601 -12.420 808 HE1 TRP 103 HE1 TRP 103 15.021 1.490 -14.355 809 HE3 TRP 103 HE3 TRP 103 10.940 4.844 -13.523 810 HZ2 TRP 103 HZ2 TRP 103 15.047 3.700 -16.107 811 HZ3 TRP 103 HZ3 TRP 103 11.745 6.291 -15.345 812 HH2 TRP 103 HH2 TRP 103 13.755 5.727 -16.611 813 H ASP 104 H ASP 104 11.548 1.869 -8.128 814 HA ASP 104 HA ASP 104 8.692 1.872 -7.822 815 1HB ASP 104 2HB ASP 104 10.930 1.167 -5.911 816 2HB ASP 104 1HB ASP 104 9.222 0.985 -5.528 817 H PHE 105 H PHE 105 11.388 3.784 -6.632 818 HA PHE 105 HA PHE 105 9.471 5.663 -5.415 819 1HB PHE 105 2HB PHE 105 12.205 4.824 -4.453 820 2HB PHE 105 1HB PHE 105 11.447 6.315 -3.910 821 HD1 PHE 105 HD1 PHE 105 9.779 6.314 -2.268 822 HD2 PHE 105 HD2 PHE 105 11.115 2.625 -3.901 823 HE1 PHE 105 HE1 PHE 105 8.600 5.091 -0.495 824 HE2 PHE 105 HE2 PHE 105 9.934 1.403 -2.143 825 HZ PHE 105 HZ PHE 105 8.683 2.639 -0.433 826 H TYR 106 H TYR 106 9.876 6.027 -7.985 827 HA TYR 106 HA TYR 106 11.392 8.503 -8.103 828 1HB TYR 106 2HB TYR 106 12.972 6.664 -8.743 829 2HB TYR 106 1HB TYR 106 11.905 6.260 -10.074 830 HD1 TYR 106 HD1 TYR 106 13.390 6.581 -11.850 831 HD2 TYR 106 HD2 TYR 106 12.828 9.729 -9.039 832 HE1 TYR 106 HE1 TYR 106 14.646 8.098 -13.309 833 HE2 TYR 106 HE2 TYR 106 14.074 11.259 -10.494 834 HH TYR 106 HH TYR 106 14.525 11.203 -13.276 835 H CYS 107 H CYS 107 9.715 9.782 -8.608 836 HA CYS 107 HA CYS 107 8.025 9.021 -10.901 837 1HB CYS 107 2HB CYS 107 7.292 10.821 -8.595 838 2HB CYS 107 1HB CYS 107 6.232 10.335 -9.910 839 H GLN 108 HN GLN 108 9.262 9.995 -12.463 840 HA GLN 108 HA GLN 108 9.034 12.891 -12.609 841 1HB GLN 108 1HB GLN 108 11.588 11.377 -12.533 842 2HB GLN 108 2HB GLN 108 11.469 12.692 -13.692 843 1HG GLN 108 2HG GLN 108 10.774 14.176 -11.795 844 2HG GLN 108 1HG GLN 108 11.164 12.846 -10.707 845 1HE2 GLN 108 1HE2 GLN 108 13.034 13.164 -9.758 846 2HE2 GLN 108 2HE2 GLN 108 14.451 13.837 -10.482 Start of MODEL 4 1 1H MET 1 1HT MET 1 6.152 15.202 -3.444 2 2H MET 1 2HT MET 1 7.475 15.294 -2.393 3 3H MET 1 3HT MET 1 7.232 13.905 -3.328 4 HA MET 1 HA MET 1 7.785 14.978 -5.314 5 1HB MET 1 2HB MET 1 6.469 17.024 -4.713 6 2HB MET 1 1HB MET 1 7.818 17.555 -3.720 7 1HG MET 1 1HG MET 1 7.876 18.713 -5.814 8 2HG MET 1 2HG MET 1 9.241 17.601 -5.736 9 1HE MET 1 1HE MET 1 8.284 17.660 -9.553 10 2HE MET 1 2HE MET 1 9.585 17.888 -8.384 11 3HE MET 1 3HE MET 1 8.217 19.000 -8.410 12 H GLY 2 H GLY 2 9.677 13.900 -5.333 13 1HA GLY 2 2HA GLY 2 12.099 14.375 -5.401 14 2HA GLY 2 1HA GLY 2 11.922 15.060 -3.793 15 HA PRO 3 HA PRO 3 12.928 10.481 -3.486 16 1HB PRO 3 2HB PRO 3 15.603 10.826 -2.686 17 2HB PRO 3 1HB PRO 3 15.026 10.256 -4.249 18 1HG PRO 3 1HG PRO 3 16.347 12.684 -3.706 19 2HG PRO 3 2HG PRO 3 15.629 12.169 -5.234 20 1HD PRO 3 1HD PRO 3 14.602 14.045 -3.222 21 2HD PRO 3 2HD PRO 3 14.203 13.892 -4.939 22 H MET 4 H MET 4 12.152 9.750 -1.666 23 HA MET 4 HA MET 4 13.260 10.637 0.888 24 1HB MET 4 2HB MET 4 11.123 11.080 1.869 25 2HB MET 4 1HB MET 4 11.159 11.949 0.347 26 1HG MET 4 2HG MET 4 9.780 9.315 0.785 27 2HG MET 4 1HG MET 4 8.996 10.891 0.829 28 1HE MET 4 1HE MET 4 10.102 8.163 -2.374 29 2HE MET 4 2HE MET 4 8.419 8.218 -1.845 30 3HE MET 4 3HE MET 4 9.712 7.999 -0.659 31 HA PRO 5 HA PRO 5 13.196 6.406 2.409 32 1HB PRO 5 2HB PRO 5 10.586 6.734 3.809 33 2HB PRO 5 1HB PRO 5 12.083 5.999 4.386 34 1HG PRO 5 2HG PRO 5 11.401 8.444 5.159 35 2HG PRO 5 1HG PRO 5 13.088 8.052 4.782 36 1HD PRO 5 1HD PRO 5 11.107 9.619 3.204 37 2HD PRO 5 2HD PRO 5 12.867 9.803 3.316 38 H LYS 6 H LYS 6 12.585 4.430 1.753 39 HA LYS 6 HA LYS 6 10.503 4.282 -0.264 40 1HB LYS 6 2HB LYS 6 12.698 2.377 0.553 41 2HB LYS 6 1HB LYS 6 11.479 1.971 -0.644 42 1HG LYS 6 1HG LYS 6 13.293 2.652 -1.911 43 2HG LYS 6 2HG LYS 6 12.254 4.073 -1.885 44 1HD LYS 6 1HD LYS 6 14.357 4.971 -1.502 45 2HD LYS 6 2HD LYS 6 13.705 4.810 0.128 46 1HE LYS 6 2HE LYS 6 15.496 2.759 -1.164 47 2HE LYS 6 1HE LYS 6 16.090 4.072 -0.152 48 1HZ LYS 6 1HZ LYS 6 15.889 2.429 1.385 49 2HZ LYS 6 2HZ LYS 6 14.591 1.676 0.605 50 3HZ LYS 6 3HZ LYS 6 14.334 3.087 1.504 51 H LEU 7 H LEU 7 10.642 3.759 3.006 52 HA LEU 7 HA LEU 7 9.208 2.891 4.522 53 1HB LEU 7 2HB LEU 7 7.555 2.126 2.115 54 2HB LEU 7 1HB LEU 7 7.082 1.724 3.749 55 HG LEU 7 HG LEU 7 5.812 3.601 3.235 56 1HD1 LEU 7 1HD1 LEU 7 7.033 3.796 5.401 57 2HD1 LEU 7 2HD1 LEU 7 6.476 5.323 4.718 58 3HD1 LEU 7 3HD1 LEU 7 8.175 4.868 4.590 59 1HD2 LEU 7 1HD2 LEU 7 7.064 5.741 2.385 60 2HD2 LEU 7 2HD2 LEU 7 6.511 4.488 1.270 61 3HD2 LEU 7 3HD2 LEU 7 8.204 4.547 1.764 62 H ALA 8 H ALA 8 10.049 0.707 1.860 63 HA ALA 8 HA ALA 8 10.744 -1.343 3.801 64 1HB ALA 8 1HB ALA 8 8.970 -2.053 1.476 65 2HB ALA 8 2HB ALA 8 8.336 -1.674 3.079 66 3HB ALA 8 3HB ALA 8 9.413 -3.054 2.859 67 H ASP 9 H ASP 9 11.328 -3.428 2.146 68 HA ASP 9 HA ASP 9 13.230 -2.320 0.195 69 1HB ASP 9 1HB ASP 9 14.752 -4.240 0.816 70 2HB ASP 9 2HB ASP 9 14.561 -3.000 2.046 71 H ARG 10 H ARG 10 11.251 -5.118 1.099 72 HA ARG 10 HA ARG 10 11.212 -5.915 -1.743 73 1HB ARG 10 2HB ARG 10 11.582 -7.566 0.698 74 2HB ARG 10 1HB ARG 10 10.596 -8.249 -0.578 75 1HG ARG 10 1HG ARG 10 12.748 -9.076 -0.951 76 2HG ARG 10 2HG ARG 10 12.556 -7.778 -2.127 77 1HD ARG 10 2HD ARG 10 13.828 -6.273 -0.701 78 2HD ARG 10 1HD ARG 10 13.984 -7.537 0.516 79 HE ARG 10 HE ARG 10 15.002 -8.508 -1.901 80 1HH1 ARG 10 1HH1 ARG 10 15.800 -6.095 0.516 81 2HH1 ARG 10 2HH1 ARG 10 17.500 -6.183 0.209 82 1HH2 ARG 10 1HH2 ARG 10 17.236 -8.610 -2.290 83 2HH2 ARG 10 2HH2 ARG 10 18.315 -7.605 -1.378 84 H LYS 11 H LYS 11 9.265 -6.770 -2.542 85 HA LYS 11 HA LYS 11 6.869 -6.295 -0.904 86 1HB LYS 11 2HB LYS 11 5.751 -5.442 -2.956 87 2HB LYS 11 1HB LYS 11 7.093 -4.433 -2.434 88 1HG LYS 11 1HG LYS 11 8.497 -5.729 -4.131 89 2HG LYS 11 2HG LYS 11 6.956 -6.298 -4.777 90 1HD LYS 11 2HD LYS 11 6.251 -4.008 -5.164 91 2HD LYS 11 1HD LYS 11 7.753 -3.412 -4.456 92 1HE LYS 11 2HE LYS 11 7.934 -3.337 -6.856 93 2HE LYS 11 1HE LYS 11 9.009 -4.587 -6.235 94 1HZ LYS 11 1HZ LYS 11 7.730 -5.257 -8.224 95 2HZ LYS 11 2HZ LYS 11 6.302 -5.120 -7.327 96 3HZ LYS 11 3HZ LYS 11 7.468 -6.266 -6.891 97 H LEU 12 H LEU 12 4.876 -7.319 -2.063 98 HA LEU 12 HA LEU 12 5.643 -9.949 -3.150 99 1HB LEU 12 2HB LEU 12 3.421 -9.315 -1.205 100 2HB LEU 12 1HB LEU 12 3.608 -10.859 -2.010 101 HG LEU 12 HG LEU 12 5.659 -9.670 -0.136 102 1HD1 LEU 12 1HD1 LEU 12 4.650 -10.637 1.622 103 2HD1 LEU 12 2HD1 LEU 12 4.142 -12.044 0.686 104 3HD1 LEU 12 3HD1 LEU 12 3.206 -10.551 0.613 105 1HD2 LEU 12 1HD2 LEU 12 5.447 -12.239 -1.650 106 2HD2 LEU 12 2HD2 LEU 12 6.278 -12.202 -0.095 107 3HD2 LEU 12 3HD2 LEU 12 6.842 -11.184 -1.420 108 H CYS 13 H CYS 13 4.916 -10.282 -5.119 109 HA CYS 13 HA CYS 13 2.415 -8.984 -5.978 110 1HB CYS 13 2HB CYS 13 4.880 -9.530 -7.648 111 2HB CYS 13 1HB CYS 13 3.380 -8.828 -8.241 112 H ALA 14 H ALA 14 1.637 -10.126 -8.118 113 HA ALA 14 HA ALA 14 1.149 -12.881 -7.422 114 1HB ALA 14 1HB ALA 14 -0.187 -12.753 -9.652 115 2HB ALA 14 2HB ALA 14 0.103 -11.018 -9.514 116 3HB ALA 14 3HB ALA 14 -0.764 -11.870 -8.237 117 H ASP 15 H ASP 15 2.811 -11.125 -9.998 118 HA ASP 15 HA ASP 15 4.119 -13.642 -10.807 119 1HB ASP 15 2HB ASP 15 3.144 -11.372 -12.548 120 2HB ASP 15 1HB ASP 15 4.309 -12.564 -13.110 121 H GLN 16 H GLN 16 6.191 -13.117 -12.111 122 HA GLN 16 HA GLN 16 7.956 -11.674 -10.412 123 1HB GLN 16 2HB GLN 16 8.553 -13.691 -11.789 124 2HB GLN 16 1HB GLN 16 8.485 -12.673 -13.219 125 1HG GLN 16 2HG GLN 16 10.298 -11.298 -12.328 126 2HG GLN 16 1HG GLN 16 10.363 -12.318 -10.892 127 1HE2 GLN 16 1HE2 GLN 16 11.936 -13.743 -10.925 128 2HE2 GLN 16 2HE2 GLN 16 12.601 -14.503 -12.326 129 H GLU 17 H GLU 17 6.023 -10.802 -13.106 130 HA GLU 17 HA GLU 17 7.540 -8.403 -13.751 131 1HB GLU 17 2HB GLU 17 4.987 -9.595 -14.846 132 2HB GLU 17 1HB GLU 17 5.561 -8.011 -15.333 133 1HG GLU 17 1HG GLU 17 6.249 -9.535 -17.000 134 2HG GLU 17 2HG GLU 17 7.690 -9.115 -16.077 135 H CYS 18 H CYS 18 5.024 -9.396 -11.674 136 HA CYS 18 HA CYS 18 3.573 -8.361 -10.275 137 1HB CYS 18 1HB CYS 18 5.790 -7.283 -9.587 138 2HB CYS 18 2HB CYS 18 5.286 -5.883 -10.530 139 H SER 19 H SER 19 3.165 -8.271 -13.111 140 HA SER 19 HA SER 19 1.822 -5.747 -13.631 141 1HB SER 19 2HB SER 19 3.251 -6.637 -15.377 142 2HB SER 19 1HB SER 19 2.350 -8.140 -15.371 143 HG SER 19 HG SER 19 1.856 -6.320 -16.982 144 H HIS 20 H HIS 20 1.099 -8.669 -12.243 145 HA HIS 20 HA HIS 20 -1.688 -8.718 -13.141 146 1HB HIS 20 2HB HIS 20 0.157 -10.698 -11.914 147 2HB HIS 20 1HB HIS 20 -1.544 -10.836 -11.504 148 HD1 HIS 20 HD1 HIS 20 -0.930 -13.197 -12.778 149 HD2 HIS 20 HD2 HIS 20 -1.418 -9.815 -15.138 150 HE1 HIS 20 HE1 HIS 20 -1.483 -14.059 -15.058 151 HE2 HIS 20 HE2 HIS 20 -1.838 -11.996 -16.469 152 HA PRO 21 HA PRO 21 -2.919 -7.086 -9.156 153 1HB PRO 21 1HB PRO 21 -5.624 -7.357 -9.477 154 2HB PRO 21 2HB PRO 21 -4.661 -6.095 -10.253 155 1HG PRO 21 1HG PRO 21 -6.004 -8.359 -11.461 156 2HG PRO 21 2HG PRO 21 -5.204 -6.993 -12.251 157 1HD PRO 21 1HD PRO 21 -4.205 -9.709 -11.775 158 2HD PRO 21 2HD PRO 21 -3.589 -8.448 -12.870 159 H ILE 22 H ILE 22 -2.777 -8.090 -7.245 160 HA ILE 22 HA ILE 22 -3.327 -10.846 -6.907 161 HB ILE 22 HB ILE 22 -2.900 -8.779 -4.737 162 1HG1 ILE 22 2HG1 ILE 22 -0.850 -10.633 -5.974 163 2HG1 ILE 22 1HG1 ILE 22 -1.078 -8.965 -6.499 164 1HG2 ILE 22 1HG2 ILE 22 -2.001 -11.512 -4.239 165 2HG2 ILE 22 2HG2 ILE 22 -3.746 -11.400 -4.484 166 3HG2 ILE 22 3HG2 ILE 22 -2.967 -10.437 -3.227 167 1HD1 ILE 22 1HD1 ILE 22 -0.662 -8.355 -4.039 168 2HD1 ILE 22 2HD1 ILE 22 0.710 -8.845 -5.033 169 3HD1 ILE 22 3HD1 ILE 22 -0.011 -9.989 -3.900 170 H SER 23 H SER 23 -4.860 -8.075 -5.215 171 HA SER 23 HA SER 23 -7.415 -9.503 -5.400 172 1HB SER 23 2HB SER 23 -6.541 -10.076 -3.210 173 2HB SER 23 1HB SER 23 -6.237 -8.379 -2.848 174 HG SER 23 HG SER 23 -8.476 -9.783 -2.492 175 H MET 24 H MET 24 -9.155 -8.287 -5.697 176 HA MET 24 HA MET 24 -8.821 -5.425 -6.115 177 1HB MET 24 2HB MET 24 -9.952 -6.912 -7.788 178 2HB MET 24 1HB MET 24 -11.238 -7.166 -6.622 179 1HG MET 24 2HG MET 24 -10.507 -4.389 -7.396 180 2HG MET 24 1HG MET 24 -11.438 -5.379 -8.509 181 1HE MET 24 1HE MET 24 -13.391 -6.657 -7.911 182 2HE MET 24 2HE MET 24 -14.766 -5.831 -7.176 183 3HE MET 24 3HE MET 24 -13.767 -6.915 -6.207 184 H ALA 25 H ALA 25 -9.229 -4.090 -4.482 185 HA ALA 25 HA ALA 25 -11.131 -4.970 -2.405 186 1HB ALA 25 1HB ALA 25 -8.975 -4.939 -1.448 187 2HB ALA 25 2HB ALA 25 -9.796 -3.490 -0.867 188 3HB ALA 25 3HB ALA 25 -8.601 -3.369 -2.159 189 H VAL 26 H VAL 26 -12.459 -3.481 -1.402 190 HA VAL 26 HA VAL 26 -13.035 -1.073 -3.012 191 HB VAL 26 HB VAL 26 -14.837 -2.461 -1.004 192 1HG1 VAL 26 1HG2 VAL 26 -15.014 0.067 -2.400 193 2HG1 VAL 26 2HG2 VAL 26 -16.034 -0.584 -1.117 194 3HG1 VAL 26 3HG2 VAL 26 -16.369 -0.988 -2.800 195 1HG2 VAL 26 1HG1 VAL 26 -14.124 -3.400 -3.498 196 2HG2 VAL 26 2HG1 VAL 26 -15.646 -2.561 -3.796 197 3HG2 VAL 26 3HG1 VAL 26 -15.570 -3.848 -2.594 198 H ALA 27 H ALA 27 -12.858 0.928 -2.149 199 HA ALA 27 HA ALA 27 -11.489 1.306 0.318 200 1HB ALA 27 1HB ALA 27 -11.088 3.363 -0.448 201 2HB ALA 27 2HB ALA 27 -12.788 3.666 -0.806 202 3HB ALA 27 3HB ALA 27 -11.791 2.772 -1.954 203 H LEU 28 H LEU 28 -12.184 1.836 2.295 204 HA LEU 28 HA LEU 28 -15.079 1.950 2.739 205 1HB LEU 28 2HB LEU 28 -12.819 1.432 4.669 206 2HB LEU 28 1HB LEU 28 -14.515 1.463 5.102 207 HG LEU 28 HG LEU 28 -13.330 -0.498 3.136 208 1HD1 LEU 28 1HD2 LEU 28 -13.076 -0.410 5.972 209 2HD1 LEU 28 2HD2 LEU 28 -12.504 -1.639 4.844 210 3HD1 LEU 28 3HD2 LEU 28 -14.123 -1.760 5.534 211 1HD2 LEU 28 1HD1 LEU 28 -15.592 -1.594 4.241 212 2HD2 LEU 28 2HD1 LEU 28 -15.489 -0.823 2.657 213 3HD2 LEU 28 3HD1 LEU 28 -16.031 0.104 4.056 214 H GLN 29 H GLN 29 -12.327 4.010 2.763 215 HA GLN 29 HA GLN 29 -13.961 6.176 3.795 216 1HB GLN 29 1HB GLN 29 -12.317 6.884 5.484 217 2HB GLN 29 2HB GLN 29 -12.996 5.304 5.847 218 1HG GLN 29 2HG GLN 29 -10.998 4.209 5.089 219 2HG GLN 29 1HG GLN 29 -10.323 5.740 4.534 220 1HE2 GLN 29 1HE2 GLN 29 -8.981 6.716 5.857 221 2HE2 GLN 29 2HE2 GLN 29 -8.881 6.483 7.565 222 H ASP 30 H ASP 30 -12.353 8.223 4.024 223 HA ASP 30 HA ASP 30 -11.270 8.599 1.344 224 1HB ASP 30 1HB ASP 30 -11.798 10.575 3.574 225 2HB ASP 30 2HB ASP 30 -11.228 11.000 1.964 226 H TYR 31 H TYR 31 -9.215 9.507 0.946 227 HA TYR 31 HA TYR 31 -7.288 9.729 3.093 228 1HB TYR 31 2HB TYR 31 -7.383 7.257 2.224 229 2HB TYR 31 1HB TYR 31 -6.542 7.907 0.822 230 HD1 TYR 31 HD1 TYR 31 -4.231 8.419 0.900 231 HD2 TYR 31 HD2 TYR 31 -6.286 7.440 4.495 232 HE1 TYR 31 HE1 TYR 31 -2.087 8.277 2.088 233 HE2 TYR 31 HE2 TYR 31 -4.147 7.304 5.690 234 HH TYR 31 HH TYR 31 -1.339 8.555 4.581 235 H MET 32 H MET 32 -5.749 11.220 2.638 236 HA MET 32 HA MET 32 -5.729 12.364 -0.078 237 1HB MET 32 2HB MET 32 -4.973 13.606 2.572 238 2HB MET 32 1HB MET 32 -4.788 14.402 1.016 239 1HG MET 32 1HG MET 32 -7.222 14.236 0.683 240 2HG MET 32 2HG MET 32 -7.359 13.508 2.281 241 1HE MET 32 1HE MET 32 -5.156 16.408 0.902 242 2HE MET 32 2HE MET 32 -5.940 17.843 1.563 243 3HE MET 32 3HE MET 32 -6.735 16.909 0.296 244 H ALA 33 H ALA 33 -3.893 12.358 -1.261 245 HA ALA 33 HA ALA 33 -1.586 10.968 -0.150 246 1HB ALA 33 1HB ALA 33 -2.783 10.659 -2.496 247 2HB ALA 33 2HB ALA 33 -1.064 10.344 -2.258 248 3HB ALA 33 3HB ALA 33 -1.591 11.871 -2.963 249 HA PRO 34 HA PRO 34 0.504 14.972 0.244 250 1HB PRO 34 2HB PRO 34 2.632 13.617 1.637 251 2HB PRO 34 1HB PRO 34 1.413 14.706 2.298 252 1HG PRO 34 2HG PRO 34 1.541 12.038 2.868 253 2HG PRO 34 1HG PRO 34 0.041 12.986 2.925 254 1HD PRO 34 2HD PRO 34 1.057 11.168 0.767 255 2HD PRO 34 1HD PRO 34 -0.585 11.335 1.421 256 H ASP 35 H ASP 35 2.671 12.147 -0.066 257 HA ASP 35 HA ASP 35 4.348 13.570 -1.979 258 1HB ASP 35 2HB ASP 35 5.211 12.198 0.007 259 2HB ASP 35 1HB ASP 35 4.760 10.779 -0.925 260 H CYS 36 H CYS 36 5.119 12.329 -3.913 261 HA CYS 36 HA CYS 36 2.974 11.621 -5.595 262 1HB CYS 36 2HB CYS 36 5.888 10.934 -6.002 263 2HB CYS 36 1HB CYS 36 4.651 11.062 -7.245 264 H ARG 37 H ARG 37 4.999 9.723 -3.497 265 HA ARG 37 HA ARG 37 4.598 7.198 -4.701 266 1HB ARG 37 2HB ARG 37 5.288 6.287 -2.447 267 2HB ARG 37 1HB ARG 37 6.431 7.371 -3.226 268 1HG ARG 37 2HG ARG 37 6.013 9.096 -1.721 269 2HG ARG 37 1HG ARG 37 4.482 8.394 -1.195 270 1HD ARG 37 2HD ARG 37 5.505 6.832 0.157 271 2HD ARG 37 1HD ARG 37 7.009 6.870 -0.759 272 HE ARG 37 HE ARG 37 7.762 8.452 0.680 273 1HH1 ARG 37 1HH1 ARG 37 4.256 8.591 0.827 274 2HH1 ARG 37 2HH1 ARG 37 4.247 9.793 2.071 275 1HH2 ARG 37 1HH2 ARG 37 7.718 10.022 2.303 276 2HH2 ARG 37 2HH2 ARG 37 6.202 10.604 2.904 277 H PHE 38 H PHE 38 2.524 9.090 -2.661 278 HA PHE 38 HA PHE 38 0.896 6.731 -2.053 279 1HB PHE 38 2HB PHE 38 1.147 9.441 -0.851 280 2HB PHE 38 1HB PHE 38 -0.404 8.626 -0.714 281 HD1 PHE 38 HD1 PHE 38 -0.479 8.246 1.582 282 HD2 PHE 38 HD2 PHE 38 2.951 6.984 -0.598 283 HE1 PHE 38 HE1 PHE 38 0.317 7.010 3.550 284 HE2 PHE 38 HE2 PHE 38 3.750 5.745 1.369 285 HZ PHE 38 HZ PHE 38 2.432 5.757 3.447 286 H LEU 39 H LEU 39 -1.437 6.841 -2.237 287 HA LEU 39 HA LEU 39 -2.292 8.322 -4.647 288 1HB LEU 39 1HB LEU 39 -3.138 5.640 -3.563 289 2HB LEU 39 2HB LEU 39 -4.028 6.478 -4.817 290 HG LEU 39 HG LEU 39 -1.124 5.744 -5.143 291 1HD1 LEU 39 1HD1 LEU 39 -1.623 3.632 -5.739 292 2HD1 LEU 39 2HD1 LEU 39 -3.155 4.095 -6.480 293 3HD1 LEU 39 3HD1 LEU 39 -3.051 3.878 -4.733 294 1HD2 LEU 39 1HD2 LEU 39 -2.169 7.465 -6.637 295 2HD2 LEU 39 2HD2 LEU 39 -3.287 6.214 -7.187 296 3HD2 LEU 39 3HD2 LEU 39 -1.556 6.038 -7.474 297 H THR 40 H THR 40 -4.217 9.414 -4.661 298 HA THR 40 HA THR 40 -5.478 9.898 -2.068 299 HB THR 40 HB THR 40 -5.905 11.245 -4.756 300 HG1 THR 40 HG1 THR 40 -4.713 12.916 -3.845 301 1HG2 THR 40 1HG2 THR 40 -6.867 12.157 -2.053 302 2HG2 THR 40 2HG2 THR 40 -7.888 11.442 -3.302 303 3HG2 THR 40 3HG2 THR 40 -7.087 12.986 -3.596 304 H ILE 41 H ILE 41 -7.124 8.652 -1.495 305 HA ILE 41 HA ILE 41 -8.856 7.532 -3.611 306 HB ILE 41 HB ILE 41 -7.923 6.250 -1.030 307 1HG1 ILE 41 1HG1 ILE 41 -7.683 5.195 -3.846 308 2HG1 ILE 41 2HG1 ILE 41 -6.473 6.282 -3.163 309 1HG2 ILE 41 1HG2 ILE 41 -10.245 5.628 -2.763 310 2HG2 ILE 41 2HG2 ILE 41 -9.994 5.317 -1.045 311 3HG2 ILE 41 3HG2 ILE 41 -9.257 4.261 -2.249 312 1HD1 ILE 41 1HD1 ILE 41 -6.534 4.448 -1.224 313 2HD1 ILE 41 2HD1 ILE 41 -5.486 4.323 -2.639 314 3HD1 ILE 41 3HD1 ILE 41 -7.013 3.439 -2.588 315 H HIS 42 H HIS 42 -11.016 7.651 -3.390 316 HA HIS 42 HA HIS 42 -12.065 9.121 -1.080 317 1HB HIS 42 2HB HIS 42 -13.245 8.649 -3.828 318 2HB HIS 42 1HB HIS 42 -14.083 9.478 -2.521 319 HD1 HIS 42 HD1 HIS 42 -12.384 11.566 -1.526 320 HD2 HIS 42 HD2 HIS 42 -12.157 10.439 -5.518 321 HE1 HIS 42 HE1 HIS 42 -11.348 13.523 -2.720 322 HE2 HIS 42 HE2 HIS 42 -11.306 12.851 -5.147 323 H ARG 43 H ARG 43 -14.078 8.403 -0.137 324 HA ARG 43 HA ARG 43 -14.090 5.669 0.501 325 1HB ARG 43 2HB ARG 43 -14.931 7.456 1.981 326 2HB ARG 43 1HB ARG 43 -16.281 7.718 0.895 327 1HG ARG 43 1HG ARG 43 -17.067 5.441 1.352 328 2HG ARG 43 2HG ARG 43 -15.716 5.215 2.466 329 1HD ARG 43 2HD ARG 43 -16.545 7.123 3.798 330 2HD ARG 43 1HD ARG 43 -17.935 7.242 2.718 331 HE ARG 43 HE ARG 43 -17.770 4.627 3.708 332 1HH1 ARG 43 1HH1 ARG 43 -18.526 7.857 4.849 333 2HH1 ARG 43 2HH1 ARG 43 -19.572 7.291 6.106 334 1HH2 ARG 43 1HH2 ARG 43 -19.146 3.906 5.363 335 2HH2 ARG 43 2HH2 ARG 43 -19.924 5.057 6.398 336 H GLY 44 H GLY 44 -14.654 4.038 -0.788 337 1HA GLY 44 2HA GLY 44 -16.439 2.792 -1.795 338 2HA GLY 44 1HA GLY 44 -17.131 4.302 -2.357 339 H GLN 45 H GLN 45 -13.819 4.425 -2.953 340 HA GLN 45 HA GLN 45 -14.296 3.983 -5.770 341 1HB GLN 45 1HB GLN 45 -11.796 4.839 -4.296 342 2HB GLN 45 2HB GLN 45 -11.899 4.650 -6.041 343 1HG GLN 45 1HG GLN 45 -13.864 6.301 -5.900 344 2HG GLN 45 2HG GLN 45 -13.230 6.676 -4.297 345 1HE2 GLN 45 1HE2 GLN 45 -13.258 7.736 -7.330 346 2HE2 GLN 45 2HE2 GLN 45 -11.714 8.510 -7.420 347 H VAL 46 H VAL 46 -13.314 2.504 -7.105 348 HA VAL 46 HA VAL 46 -12.641 -0.036 -5.870 349 HB VAL 46 HB VAL 46 -12.579 0.573 -8.829 350 1HG1 VAL 46 1HG1 VAL 46 -13.433 -1.908 -8.753 351 2HG1 VAL 46 2HG1 VAL 46 -12.672 -1.889 -7.162 352 3HG1 VAL 46 3HG1 VAL 46 -11.716 -1.531 -8.600 353 1HG2 VAL 46 1HG2 VAL 46 -14.834 0.914 -7.245 354 2HG2 VAL 46 2HG2 VAL 46 -15.032 -0.685 -7.962 355 3HG2 VAL 46 3HG2 VAL 46 -14.786 0.721 -8.999 356 H VAL 47 H VAL 47 -10.585 -0.456 -5.271 357 HA VAL 47 HA VAL 47 -8.413 0.629 -6.950 358 HB VAL 47 HB VAL 47 -8.101 0.180 -3.984 359 1HG1 VAL 47 1HG1 VAL 47 -6.163 1.635 -4.239 360 2HG1 VAL 47 2HG1 VAL 47 -6.525 1.834 -5.955 361 3HG1 VAL 47 3HG1 VAL 47 -6.058 0.252 -5.329 362 1HG2 VAL 47 1HG2 VAL 47 -8.130 2.917 -4.328 363 2HG2 VAL 47 2HG2 VAL 47 -9.419 1.948 -3.614 364 3HG2 VAL 47 3HG2 VAL 47 -9.478 2.366 -5.326 365 H TYR 48 H TYR 48 -7.088 -0.839 -7.778 366 HA TYR 48 HA TYR 48 -7.300 -3.605 -6.893 367 1HB TYR 48 2HB TYR 48 -6.001 -2.371 -9.329 368 2HB TYR 48 1HB TYR 48 -5.887 -4.076 -8.940 369 HD1 TYR 48 HD1 TYR 48 -7.286 -5.459 -10.098 370 HD2 TYR 48 HD2 TYR 48 -8.614 -1.501 -9.275 371 HE1 TYR 48 HE1 TYR 48 -9.357 -5.899 -11.345 372 HE2 TYR 48 HE2 TYR 48 -10.690 -1.936 -10.513 373 HH TYR 48 HH TYR 48 -11.919 -4.681 -11.143 374 H VAL 49 H VAL 49 -5.669 -4.758 -5.969 375 HA VAL 49 HA VAL 49 -3.292 -3.250 -5.139 376 HB VAL 49 HB VAL 49 -4.233 -5.950 -4.142 377 1HG1 VAL 49 1HG1 VAL 49 -1.814 -4.505 -3.753 378 2HG1 VAL 49 2HG1 VAL 49 -2.310 -6.040 -3.039 379 3HG1 VAL 49 3HG1 VAL 49 -2.701 -4.523 -2.228 380 1HG2 VAL 49 1HG2 VAL 49 -5.554 -3.591 -3.750 381 2HG2 VAL 49 2HG2 VAL 49 -4.494 -3.657 -2.343 382 3HG2 VAL 49 3HG2 VAL 49 -5.614 -4.981 -2.667 383 H PHE 50 H PHE 50 -1.293 -3.725 -5.864 384 HA PHE 50 HA PHE 50 -0.982 -6.088 -7.593 385 1HB PHE 50 1HB PHE 50 0.172 -3.317 -7.833 386 2HB PHE 50 2HB PHE 50 0.924 -4.690 -8.634 387 HD1 PHE 50 HD1 PHE 50 -2.366 -2.939 -8.353 388 HD2 PHE 50 HD2 PHE 50 0.254 -5.291 -10.747 389 HE1 PHE 50 HE1 PHE 50 -3.892 -2.688 -10.266 390 HE2 PHE 50 HE2 PHE 50 -1.269 -5.042 -12.663 391 HZ PHE 50 HZ PHE 50 -3.343 -3.739 -12.423 392 H SER 51 H SER 51 0.576 -4.066 -5.131 393 HA SER 51 HA SER 51 2.397 -6.301 -4.558 394 1HB SER 51 2HB SER 51 4.236 -4.677 -4.145 395 2HB SER 51 1HB SER 51 3.718 -4.715 -5.827 396 HG SER 51 HG SER 51 4.004 -2.578 -4.758 397 H LYS 52 H LYS 52 3.085 -6.537 -2.439 398 HA LYS 52 HA LYS 52 1.798 -4.808 -0.420 399 1HB LYS 52 2HB LYS 52 2.246 -7.763 -0.002 400 2HB LYS 52 1HB LYS 52 1.283 -6.671 0.966 401 1HG LYS 52 1HG LYS 52 -0.370 -6.503 -0.783 402 2HG LYS 52 2HG LYS 52 0.615 -7.510 -1.846 403 1HD LYS 52 1HD LYS 52 0.400 -9.379 -0.291 404 2HD LYS 52 2HD LYS 52 -0.561 -8.374 0.795 405 1HE LYS 52 2HE LYS 52 -2.267 -8.127 -0.941 406 2HE LYS 52 1HE LYS 52 -1.305 -9.134 -2.027 407 1HZ LYS 52 1HZ LYS 52 -3.054 -9.910 0.109 408 2HZ LYS 52 2HZ LYS 52 -1.539 -10.658 0.206 409 3HZ LYS 52 3HZ LYS 52 -2.472 -10.819 -1.195 410 H LEU 53 H LEU 53 3.386 -3.728 0.589 411 HA LEU 53 HA LEU 53 6.109 -4.546 0.527 412 1HB LEU 53 1HB LEU 53 4.881 -2.467 2.336 413 2HB LEU 53 2HB LEU 53 6.566 -2.593 1.860 414 HG LEU 53 HG LEU 53 4.309 -1.988 -0.060 415 1HD1 LEU 53 1HD2 LEU 53 6.266 0.092 0.689 416 2HD1 LEU 53 2HD2 LEU 53 5.040 -0.314 1.890 417 3HD1 LEU 53 3HD2 LEU 53 4.555 0.230 0.284 418 1HD2 LEU 53 1HD1 LEU 53 7.160 -2.518 -0.381 419 2HD2 LEU 53 2HD1 LEU 53 6.639 -1.002 -1.118 420 3HD2 LEU 53 3HD1 LEU 53 5.861 -2.520 -1.578 421 H LYS 54 H LYS 54 7.467 -5.292 2.132 422 HA LYS 54 HA LYS 54 6.143 -6.459 4.504 423 1HB LYS 54 1HB LYS 54 8.544 -7.468 2.961 424 2HB LYS 54 2HB LYS 54 7.959 -8.168 4.461 425 1HG LYS 54 2HG LYS 54 5.871 -8.772 3.387 426 2HG LYS 54 1HG LYS 54 6.408 -8.012 1.887 427 1HD LYS 54 1HD LYS 54 6.811 -10.319 1.615 428 2HD LYS 54 2HD LYS 54 8.382 -9.599 1.948 429 1HE LYS 54 1HE LYS 54 8.210 -10.296 4.286 430 2HE LYS 54 2HE LYS 54 6.634 -11.016 3.958 431 1HZ LYS 54 1HZ LYS 54 8.465 -12.639 3.964 432 2HZ LYS 54 2HZ LYS 54 9.163 -11.846 2.644 433 3HZ LYS 54 3HZ LYS 54 7.651 -12.585 2.482 434 H GLY 55 H GLY 55 8.129 -7.101 6.131 435 1HA GLY 55 2HA GLY 55 9.944 -6.367 7.396 436 2HA GLY 55 1HA GLY 55 10.086 -4.970 6.343 437 H ARG 56 H ARG 56 9.883 -3.177 7.481 438 HA ARG 56 HA ARG 56 8.393 -3.082 9.936 439 1HB ARG 56 2HB ARG 56 9.106 -0.702 10.000 440 2HB ARG 56 1HB ARG 56 10.443 -1.825 9.806 441 1HG ARG 56 2HG ARG 56 10.509 -1.325 7.412 442 2HG ARG 56 1HG ARG 56 9.178 -0.184 7.623 443 1HD ARG 56 2HD ARG 56 10.564 1.117 9.182 444 2HD ARG 56 1HD ARG 56 11.894 -0.008 8.921 445 HE ARG 56 HE ARG 56 11.107 2.145 7.228 446 1HH1 ARG 56 1HH1 ARG 56 12.614 -1.025 7.183 447 2HH1 ARG 56 2HH1 ARG 56 13.442 -0.735 5.691 448 1HH2 ARG 56 1HH2 ARG 56 12.205 2.504 5.276 449 2HH2 ARG 56 2HH2 ARG 56 13.212 1.259 4.613 450 H GLY 57 H GLY 57 7.595 -2.683 6.687 451 1HA GLY 57 1HA GLY 57 5.169 -1.152 7.397 452 2HA GLY 57 2HA GLY 57 5.970 -1.018 5.838 453 H ARG 58 H ARG 58 4.922 -3.747 7.880 454 HA ARG 58 HA ARG 58 4.134 -5.320 5.644 455 1HB ARG 58 1HB ARG 58 3.242 -6.898 7.318 456 2HB ARG 58 2HB ARG 58 4.890 -6.410 7.671 457 1HG ARG 58 1HG ARG 58 2.861 -4.763 8.985 458 2HG ARG 58 2HG ARG 58 2.838 -6.460 9.463 459 1HD ARG 58 2HD ARG 58 5.306 -4.732 9.463 460 2HD ARG 58 1HD ARG 58 4.295 -5.015 10.880 461 HE ARG 58 HE ARG 58 5.063 -7.486 9.780 462 1HH1 ARG 58 1HH1 ARG 58 6.468 -4.788 11.527 463 2HH1 ARG 58 2HH1 ARG 58 7.706 -5.756 12.255 464 1HH2 ARG 58 1HH2 ARG 58 6.692 -8.737 10.744 465 2HH2 ARG 58 2HH2 ARG 58 7.833 -7.990 11.812 466 H LEU 59 H LEU 59 2.584 -2.825 7.347 467 HA LEU 59 HA LEU 59 -0.077 -3.729 6.527 468 1HB LEU 59 1HB LEU 59 -0.973 -1.954 7.954 469 2HB LEU 59 2HB LEU 59 0.065 -3.043 8.847 470 HG LEU 59 HG LEU 59 1.220 -0.490 7.807 471 1HD1 LEU 59 1HD2 LEU 59 0.457 0.147 10.358 472 2HD1 LEU 59 2HD2 LEU 59 -0.958 -0.700 9.733 473 3HD1 LEU 59 3HD2 LEU 59 -0.326 0.708 8.880 474 1HD2 LEU 59 1HD1 LEU 59 2.250 -2.561 9.254 475 2HD2 LEU 59 2HD1 LEU 59 1.812 -1.411 10.518 476 3HD2 LEU 59 3HD1 LEU 59 2.901 -0.922 9.219 477 H PHE 60 H PHE 60 2.315 -2.268 5.047 478 HA PHE 60 HA PHE 60 0.667 -0.187 3.779 479 1HB PHE 60 2HB PHE 60 3.655 -0.521 4.003 480 2HB PHE 60 1HB PHE 60 2.942 0.527 2.784 481 HD1 PHE 60 HD1 PHE 60 2.887 -0.063 6.477 482 HD2 PHE 60 HD2 PHE 60 2.556 2.734 3.287 483 HE1 PHE 60 HE1 PHE 60 2.778 1.776 8.107 484 HE2 PHE 60 HE2 PHE 60 2.444 4.577 4.912 485 HZ PHE 60 HZ PHE 60 2.557 4.100 7.324 486 H TRP 61 H TRP 61 -0.196 -0.658 1.906 487 HA TRP 61 HA TRP 61 1.023 -2.757 0.238 488 1HB TRP 61 2HB TRP 61 -1.836 -1.939 0.703 489 2HB TRP 61 1HB TRP 61 -1.384 -2.797 -0.763 490 HD1 TRP 61 HD1 TRP 61 0.665 -4.175 2.004 491 HE1 TRP 61 HE1 TRP 61 -0.339 -6.374 2.858 492 HE3 TRP 61 HE3 TRP 61 -3.934 -3.901 -0.223 493 HZ2 TRP 61 HZ2 TRP 61 -2.754 -7.806 2.640 494 HZ3 TRP 61 HZ3 TRP 61 -5.528 -5.730 0.156 495 HH2 TRP 61 HH2 TRP 61 -4.954 -7.643 1.557 496 H GLY 62 H GLY 62 -0.177 -2.359 -2.154 497 1HA GLY 62 2HA GLY 62 -0.141 0.389 -2.991 498 2HA GLY 62 1HA GLY 62 1.351 -0.485 -3.446 499 H GLY 63 H GLY 63 -0.515 0.661 -5.252 500 1HA GLY 63 1HA GLY 63 -0.748 -1.304 -7.186 501 2HA GLY 63 2HA GLY 63 -2.286 -1.281 -6.334 502 H SER 64 H SER 64 -3.447 -0.529 -8.110 503 HA SER 64 HA SER 64 -3.030 2.320 -8.708 504 1HB SER 64 1HB SER 64 -3.577 1.940 -11.070 505 2HB SER 64 2HB SER 64 -2.150 1.010 -10.606 506 HG SER 64 HG SER 64 -4.069 -0.618 -10.143 507 H VAL 65 H VAL 65 -4.861 3.539 -8.812 508 HA VAL 65 HA VAL 65 -7.313 2.233 -7.950 509 HB VAL 65 HB VAL 65 -6.642 4.171 -6.672 510 1HG1 VAL 65 1HG1 VAL 65 -6.595 6.431 -7.625 511 2HG1 VAL 65 2HG1 VAL 65 -6.843 5.750 -9.232 512 3HG1 VAL 65 3HG1 VAL 65 -5.367 5.384 -8.338 513 1HG2 VAL 65 1HG2 VAL 65 -9.128 3.689 -7.375 514 2HG2 VAL 65 2HG2 VAL 65 -8.972 5.255 -8.171 515 3HG2 VAL 65 3HG2 VAL 65 -8.708 5.120 -6.433 516 H GLN 66 H GLN 66 -8.980 1.806 -9.189 517 HA GLN 66 HA GLN 66 -8.963 2.635 -11.982 518 1HB GLN 66 2HB GLN 66 -9.356 0.261 -11.354 519 2HB GLN 66 1HB GLN 66 -10.831 0.746 -10.530 520 1HG GLN 66 2HG GLN 66 -11.779 1.502 -12.637 521 2HG GLN 66 1HG GLN 66 -10.292 1.052 -13.478 522 1HE2 GLN 66 1HE2 GLN 66 -10.364 -0.826 -14.470 523 2HE2 GLN 66 2HE2 GLN 66 -11.358 -2.172 -14.044 524 H GLY 67 H GLY 67 -10.507 3.491 -9.038 525 1HA GLY 67 1HA GLY 67 -13.029 4.356 -9.767 526 2HA GLY 67 2HA GLY 67 -12.059 5.096 -8.506 527 H ASP 68 H ASP 68 -10.303 6.625 -9.394 528 HA ASP 68 HA ASP 68 -11.521 8.263 -11.516 529 1HB ASP 68 2HB ASP 68 -10.407 10.216 -10.458 530 2HB ASP 68 1HB ASP 68 -11.592 9.446 -9.417 531 H TYR 69 H TYR 69 -10.126 9.381 -12.983 532 HA TYR 69 HA TYR 69 -7.371 8.397 -13.089 533 1HB TYR 69 2HB TYR 69 -8.892 6.980 -14.541 534 2HB TYR 69 1HB TYR 69 -9.153 8.406 -15.535 535 HD1 TYR 69 HD1 TYR 69 -6.150 6.709 -14.041 536 HD2 TYR 69 HD2 TYR 69 -7.984 8.346 -17.516 537 HE1 TYR 69 HE1 TYR 69 -4.147 6.159 -15.348 538 HE2 TYR 69 HE2 TYR 69 -5.983 7.797 -18.834 539 HH TYR 69 HH TYR 69 -3.326 7.438 -18.086 540 H TYR 70 H TYR 70 -8.806 10.078 -15.817 541 HA TYR 70 HA TYR 70 -8.238 12.027 -16.836 542 1HB TYR 70 2HB TYR 70 -8.763 12.969 -14.014 543 2HB TYR 70 1HB TYR 70 -8.509 14.072 -15.359 544 HD1 TYR 70 HD1 TYR 70 -10.313 14.775 -16.634 545 HD2 TYR 70 HD2 TYR 70 -10.719 11.250 -14.283 546 HE1 TYR 70 HE1 TYR 70 -12.708 14.694 -17.178 547 HE2 TYR 70 HE2 TYR 70 -13.115 11.158 -14.827 548 HH TYR 70 HH TYR 70 -14.543 12.231 -17.041 549 H GLY 71 H GLY 71 -6.008 10.846 -16.845 550 1HA GLY 71 2HA GLY 71 -3.868 12.075 -17.233 551 2HA GLY 71 1HA GLY 71 -4.012 12.585 -15.554 552 H ASP 72 H ASP 72 -2.256 10.712 -17.338 553 HA ASP 72 HA ASP 72 -2.210 8.105 -16.693 554 1HB ASP 72 2HB ASP 72 0.225 9.896 -16.622 555 2HB ASP 72 1HB ASP 72 0.238 8.149 -16.847 556 H LEU 73 H LEU 73 -2.525 7.057 -14.865 557 HA LEU 73 HA LEU 73 -0.950 7.725 -12.503 558 1HB LEU 73 2HB LEU 73 -3.202 8.915 -12.459 559 2HB LEU 73 1HB LEU 73 -3.912 7.324 -12.267 560 HG LEU 73 HG LEU 73 -2.455 7.049 -10.211 561 1HD1 LEU 73 1HD1 LEU 73 -1.277 9.388 -11.138 562 2HD1 LEU 73 2HD1 LEU 73 -1.033 8.638 -9.559 563 3HD1 LEU 73 3HD1 LEU 73 -2.248 9.902 -9.756 564 1HD2 LEU 73 1HD2 LEU 73 -4.209 7.696 -8.998 565 2HD2 LEU 73 2HD2 LEU 73 -4.934 8.075 -10.561 566 3HD2 LEU 73 3HD2 LEU 73 -4.155 9.347 -9.618 567 H ALA 74 H ALA 74 -3.245 5.558 -14.080 568 HA ALA 74 HA ALA 74 -2.705 3.351 -12.312 569 1HB ALA 74 1HB ALA 74 -4.905 3.638 -13.362 570 2HB ALA 74 2HB ALA 74 -4.185 2.080 -13.768 571 3HB ALA 74 3HB ALA 74 -4.174 3.391 -14.948 572 H ALA 75 H ALA 75 -1.037 4.718 -14.869 573 HA ALA 75 HA ALA 75 0.138 2.197 -15.780 574 1HB ALA 75 1HB ALA 75 1.362 4.275 -17.161 575 2HB ALA 75 2HB ALA 75 -0.315 4.787 -16.975 576 3HB ALA 75 3HB ALA 75 0.056 3.242 -17.740 577 H ARG 76 H ARG 76 0.794 4.850 -13.691 578 HA ARG 76 HA ARG 76 3.625 4.097 -13.569 579 1HB ARG 76 1HB ARG 76 3.905 6.327 -12.351 580 2HB ARG 76 2HB ARG 76 3.583 6.381 -14.075 581 1HG ARG 76 2HG ARG 76 2.205 8.037 -13.315 582 2HG ARG 76 1HG ARG 76 1.099 6.667 -13.323 583 1HD ARG 76 2HD ARG 76 0.842 7.938 -11.276 584 2HD ARG 76 1HD ARG 76 1.504 6.345 -10.919 585 HE ARG 76 HE ARG 76 3.355 7.364 -10.069 586 1HH1 ARG 76 1HH1 ARG 76 1.738 9.712 -12.121 587 2HH1 ARG 76 2HH1 ARG 76 2.839 10.986 -11.721 588 1HH2 ARG 76 1HH2 ARG 76 4.781 9.052 -9.559 589 2HH2 ARG 76 2HH2 ARG 76 4.558 10.614 -10.274 590 H LEU 77 H LEU 77 0.876 3.387 -12.087 591 HA LEU 77 HA LEU 77 0.233 2.484 -10.119 592 1HB LEU 77 1HB LEU 77 3.189 1.958 -10.020 593 2HB LEU 77 2HB LEU 77 2.110 1.397 -8.759 594 HG LEU 77 HG LEU 77 1.703 0.672 -11.658 595 1HD1 LEU 77 1HD1 LEU 77 2.675 -1.581 -10.501 596 2HD1 LEU 77 2HD1 LEU 77 3.659 -0.342 -9.721 597 3HD1 LEU 77 3HD1 LEU 77 3.630 -0.467 -11.479 598 1HD2 LEU 77 1HD2 LEU 77 0.653 -0.354 -9.032 599 2HD2 LEU 77 2HD2 LEU 77 0.543 -1.285 -10.528 600 3HD2 LEU 77 3HD2 LEU 77 -0.258 0.281 -10.403 601 H GLY 78 H GLY 78 0.836 2.362 -7.633 602 1HA GLY 78 1HA GLY 78 1.980 4.709 -6.463 603 2HA GLY 78 2HA GLY 78 0.222 4.765 -6.464 604 H TYR 79 H TYR 79 0.979 4.833 -4.026 605 HA TYR 79 HA TYR 79 0.711 2.086 -3.023 606 1HB TYR 79 2HB TYR 79 2.703 4.125 -1.990 607 2HB TYR 79 1HB TYR 79 2.337 2.602 -1.178 608 HD1 TYR 79 HD1 TYR 79 4.086 4.182 -3.971 609 HD2 TYR 79 HD2 TYR 79 3.019 0.456 -2.208 610 HE1 TYR 79 HE1 TYR 79 5.733 3.043 -5.395 611 HE2 TYR 79 HE2 TYR 79 4.667 -0.690 -3.626 612 HH TYR 79 HH TYR 79 6.983 1.034 -5.523 613 H PHE 80 H PHE 80 -0.398 1.837 -1.073 614 HA PHE 80 HA PHE 80 -1.518 4.158 0.271 615 1HB PHE 80 2HB PHE 80 -3.871 3.356 -0.081 616 2HB PHE 80 1HB PHE 80 -3.090 3.919 -1.555 617 HD1 PHE 80 HD1 PHE 80 -4.254 0.927 0.277 618 HD2 PHE 80 HD2 PHE 80 -2.706 2.446 -3.387 619 HE1 PHE 80 HE1 PHE 80 -4.798 -1.199 -0.831 620 HE2 PHE 80 HE2 PHE 80 -3.251 0.323 -4.497 621 HZ PHE 80 HZ PHE 80 -4.297 -1.502 -3.222 622 HA PRO 81 HA PRO 81 -1.465 1.296 3.716 623 1HB PRO 81 2HB PRO 81 -3.708 2.535 5.059 624 2HB PRO 81 1HB PRO 81 -1.989 2.678 5.430 625 1HG PRO 81 2HG PRO 81 -3.507 4.741 4.473 626 2HG PRO 81 1HG PRO 81 -1.755 4.597 4.212 627 1HD PRO 81 2HD PRO 81 -4.010 3.924 2.358 628 2HD PRO 81 1HD PRO 81 -2.462 4.726 2.009 629 H SER 82 H SER 82 -2.297 -0.677 4.130 630 HA SER 82 HA SER 82 -4.549 -1.656 2.725 631 1HB SER 82 2HB SER 82 -4.153 -3.747 3.930 632 2HB SER 82 1HB SER 82 -2.622 -3.060 3.393 633 HG SER 82 HG SER 82 -2.423 -3.705 5.529 634 H SER 83 H SER 83 -4.244 -0.079 5.749 635 HA SER 83 HA SER 83 -6.463 -1.145 7.121 636 1HB SER 83 2HB SER 83 -6.258 0.851 8.562 637 2HB SER 83 1HB SER 83 -4.704 0.065 8.282 638 HG SER 83 HG SER 83 -5.621 2.544 7.446 639 H ILE 84 H ILE 84 -6.368 1.040 4.438 640 HA ILE 84 HA ILE 84 -9.054 2.018 5.113 641 HB ILE 84 HB ILE 84 -8.820 3.689 3.374 642 1HG1 ILE 84 2HG1 ILE 84 -5.937 2.916 3.035 643 2HG1 ILE 84 1HG1 ILE 84 -7.183 2.203 2.010 644 1HG2 ILE 84 1HG2 ILE 84 -8.163 4.399 5.515 645 2HG2 ILE 84 2HG2 ILE 84 -6.888 4.949 4.427 646 3HG2 ILE 84 3HG2 ILE 84 -6.636 3.519 5.429 647 1HD1 ILE 84 1HD1 ILE 84 -7.704 4.910 1.931 648 2HD1 ILE 84 2HD1 ILE 84 -6.914 3.949 0.681 649 3HD1 ILE 84 3HD1 ILE 84 -5.944 4.803 1.882 650 H VAL 85 H VAL 85 -7.874 -0.582 3.524 651 HA VAL 85 HA VAL 85 -10.072 -0.488 1.557 652 HB VAL 85 HB VAL 85 -8.829 -2.047 0.124 653 1HG1 VAL 85 1HG1 VAL 85 -7.392 0.510 0.807 654 2HG1 VAL 85 2HG1 VAL 85 -8.675 0.288 -0.382 655 3HG1 VAL 85 3HG1 VAL 85 -7.094 -0.447 -0.645 656 1HG2 VAL 85 1HG2 VAL 85 -6.261 -2.096 0.660 657 2HG2 VAL 85 2HG2 VAL 85 -7.353 -3.278 1.384 658 3HG2 VAL 85 3HG2 VAL 85 -6.817 -1.880 2.320 659 H ARG 86 H ARG 86 -11.146 -2.453 1.052 660 HA ARG 86 HA ARG 86 -11.058 -4.466 3.203 661 1HB ARG 86 2HB ARG 86 -13.070 -3.010 3.295 662 2HB ARG 86 1HB ARG 86 -13.503 -3.564 1.682 663 1HG ARG 86 2HG ARG 86 -14.048 -5.682 2.410 664 2HG ARG 86 1HG ARG 86 -13.052 -5.553 3.861 665 1HD ARG 86 2HD ARG 86 -14.599 -3.922 4.782 666 2HD ARG 86 1HD ARG 86 -15.608 -4.046 3.340 667 HE ARG 86 HE ARG 86 -15.294 -6.606 4.427 668 1HH1 ARG 86 1HH1 ARG 86 -16.861 -3.573 5.233 669 2HH1 ARG 86 2HH1 ARG 86 -18.109 -4.332 6.161 670 1HH2 ARG 86 1HH2 ARG 86 -16.939 -7.583 5.648 671 2HH2 ARG 86 2HH2 ARG 86 -18.153 -6.601 6.397 672 H GLU 87 H GLU 87 -10.232 -6.275 2.415 673 HA GLU 87 HA GLU 87 -10.399 -6.905 -0.407 674 1HB GLU 87 1HB GLU 87 -9.144 -8.556 1.790 675 2HB GLU 87 2HB GLU 87 -8.867 -8.708 0.062 676 1HG GLU 87 1HG GLU 87 -6.990 -7.598 0.729 677 2HG GLU 87 2HG GLU 87 -8.033 -6.258 0.254 678 H ASP 88 H ASP 88 -11.507 -8.567 -1.328 679 HA ASP 88 HA ASP 88 -12.948 -10.486 0.292 680 1HB ASP 88 2HB ASP 88 -14.403 -8.421 0.193 681 2HB ASP 88 1HB ASP 88 -14.501 -8.651 -1.549 682 H GLN 89 H GLN 89 -11.993 -9.207 -2.830 683 HA GLN 89 HA GLN 89 -12.403 -11.894 -3.991 684 1HB GLN 89 2HB GLN 89 -14.009 -10.465 -4.990 685 2HB GLN 89 1HB GLN 89 -12.833 -9.185 -5.226 686 1HG GLN 89 1HG GLN 89 -13.488 -10.343 -7.303 687 2HG GLN 89 2HG GLN 89 -11.761 -10.398 -6.972 688 1HE2 GLN 89 1HE2 GLN 89 -10.928 -12.197 -7.593 689 2HE2 GLN 89 2HE2 GLN 89 -11.603 -13.772 -7.427 690 H THR 90 H THR 90 -10.612 -12.903 -4.499 691 HA THR 90 HA THR 90 -8.155 -11.371 -5.036 692 HB THR 90 HB THR 90 -8.434 -14.322 -4.416 693 HG1 THR 90 HG1 THR 90 -7.857 -12.139 -2.709 694 1HG2 THR 90 1HG2 THR 90 -6.140 -14.421 -4.061 695 2HG2 THR 90 2HG2 THR 90 -5.977 -12.665 -4.026 696 3HG2 THR 90 3HG2 THR 90 -6.308 -13.490 -5.549 697 H LEU 91 H LEU 91 -7.708 -11.088 -7.116 698 HA LEU 91 HA LEU 91 -8.975 -12.692 -9.163 699 1HB LEU 91 1HB LEU 91 -6.940 -10.531 -9.629 700 2HB LEU 91 2HB LEU 91 -8.234 -11.053 -10.688 701 HG LEU 91 HG LEU 91 -8.768 -9.674 -8.062 702 1HD1 LEU 91 1HD2 LEU 91 -9.125 -7.634 -9.503 703 2HD1 LEU 91 2HD2 LEU 91 -8.233 -8.484 -10.764 704 3HD1 LEU 91 3HD2 LEU 91 -7.450 -8.112 -9.227 705 1HD2 LEU 91 1HD1 LEU 91 -10.814 -8.993 -9.577 706 2HD2 LEU 91 2HD1 LEU 91 -10.785 -10.518 -8.689 707 3HD2 LEU 91 3HD1 LEU 91 -10.389 -10.492 -10.408 708 H LYS 92 H LYS 92 -5.921 -12.626 -7.597 709 HA LYS 92 HA LYS 92 -4.962 -14.904 -9.032 710 1HB LYS 92 2HB LYS 92 -4.491 -13.071 -10.673 711 2HB LYS 92 1HB LYS 92 -3.430 -12.326 -9.491 712 1HG LYS 92 2HG LYS 92 -1.766 -13.531 -10.337 713 2HG LYS 92 1HG LYS 92 -2.553 -14.977 -9.707 714 1HD LYS 92 1HD LYS 92 -3.207 -13.783 -12.390 715 2HD LYS 92 2HD LYS 92 -1.970 -15.013 -12.172 716 1HE LYS 92 2HE LYS 92 -4.875 -15.339 -11.422 717 2HE LYS 92 1HE LYS 92 -4.146 -15.933 -12.912 718 1HZ LYS 92 1HZ LYS 92 -4.235 -17.186 -10.420 719 2HZ LYS 92 2HZ LYS 92 -2.613 -16.830 -10.740 720 3HZ LYS 92 3HZ LYS 92 -3.510 -17.746 -11.842 721 HA PRO 93 HA PRO 93 -3.018 -15.350 -4.981 722 1HB PRO 93 1HB PRO 93 -1.203 -17.134 -6.547 723 2HB PRO 93 2HB PRO 93 -2.017 -17.443 -5.014 724 1HG PRO 93 2HG PRO 93 -2.974 -18.538 -7.188 725 2HG PRO 93 1HG PRO 93 -4.108 -17.727 -6.083 726 1HD PRO 93 1HD PRO 93 -2.892 -16.697 -8.631 727 2HD PRO 93 2HD PRO 93 -4.582 -16.653 -8.110 728 H GLY 94 H GLY 94 -1.593 -14.060 -4.031 729 1HA GLY 94 1HA GLY 94 0.712 -13.072 -5.587 730 2HA GLY 94 2HA GLY 94 -0.019 -12.239 -4.221 731 H LYS 95 H LYS 95 1.903 -14.999 -5.182 732 HA LYS 95 HA LYS 95 3.029 -15.095 -2.476 733 1HB LYS 95 2HB LYS 95 3.444 -17.615 -3.150 734 2HB LYS 95 1HB LYS 95 1.933 -17.086 -2.425 735 1HG LYS 95 2HG LYS 95 0.836 -17.060 -4.546 736 2HG LYS 95 1HG LYS 95 2.360 -17.343 -5.390 737 1HD LYS 95 2HD LYS 95 1.146 -19.409 -5.325 738 2HD LYS 95 1HD LYS 95 2.516 -19.547 -4.225 739 1HE LYS 95 2HE LYS 95 0.528 -20.512 -3.220 740 2HE LYS 95 1HE LYS 95 1.023 -19.074 -2.329 741 1HZ LYS 95 1HZ LYS 95 -1.408 -19.254 -2.759 742 2HZ LYS 95 2HZ LYS 95 -1.091 -19.060 -4.410 743 3HZ LYS 95 3HZ LYS 95 -0.710 -17.819 -3.325 744 H VAL 96 H VAL 96 4.017 -13.634 -4.819 745 HA VAL 96 HA VAL 96 6.619 -14.995 -5.164 746 HB VAL 96 HB VAL 96 5.354 -12.978 -7.042 747 1HG1 VAL 96 1HG1 VAL 96 7.702 -12.747 -7.221 748 2HG1 VAL 96 2HG1 VAL 96 7.210 -13.759 -8.579 749 3HG1 VAL 96 3HG1 VAL 96 7.953 -14.492 -7.156 750 1HG2 VAL 96 1HG2 VAL 96 5.652 -15.968 -7.267 751 2HG2 VAL 96 2HG2 VAL 96 5.213 -14.912 -8.610 752 3HG2 VAL 96 3HG2 VAL 96 4.151 -15.042 -7.206 753 H ASP 97 H ASP 97 8.424 -13.928 -4.504 754 HA ASP 97 HA ASP 97 8.040 -11.274 -3.299 755 1HB ASP 97 2HB ASP 97 8.866 -13.167 -1.873 756 2HB ASP 97 1HB ASP 97 10.316 -13.221 -2.863 757 H VAL 98 H VAL 98 8.704 -9.587 -4.408 758 HA VAL 98 HA VAL 98 11.090 -9.813 -6.138 759 HB VAL 98 HB VAL 98 8.761 -7.945 -6.658 760 1HG1 VAL 98 1HG1 VAL 98 11.393 -8.318 -7.833 761 2HG1 VAL 98 2HG1 VAL 98 10.257 -6.980 -8.000 762 3HG1 VAL 98 3HG1 VAL 98 10.099 -8.405 -9.028 763 1HG2 VAL 98 1HG2 VAL 98 8.794 -10.736 -7.068 764 2HG2 VAL 98 2HG2 VAL 98 8.975 -9.982 -8.652 765 3HG2 VAL 98 3HG2 VAL 98 7.598 -9.566 -7.630 766 H LYS 99 H LYS 99 12.667 -8.312 -5.773 767 HA LYS 99 HA LYS 99 12.357 -6.515 -3.529 768 1HB LYS 99 1HB LYS 99 14.741 -5.971 -3.929 769 2HB LYS 99 2HB LYS 99 14.458 -7.698 -3.791 770 1HG LYS 99 2HG LYS 99 14.604 -7.962 -6.171 771 2HG LYS 99 1HG LYS 99 14.791 -6.221 -6.383 772 1HD LYS 99 2HD LYS 99 16.883 -6.299 -5.110 773 2HD LYS 99 1HD LYS 99 16.691 -8.041 -4.901 774 1HE LYS 99 2HE LYS 99 16.978 -6.613 -7.544 775 2HE LYS 99 1HE LYS 99 18.264 -7.484 -6.708 776 1HZ LYS 99 1HZ LYS 99 15.949 -8.526 -8.158 777 2HZ LYS 99 2HZ LYS 99 16.476 -9.398 -6.809 778 3HZ LYS 99 3HZ LYS 99 17.537 -9.108 -8.094 779 H THR 100 H THR 100 13.072 -4.199 -3.697 780 HA THR 100 HA THR 100 11.772 -2.967 -6.010 781 HB THR 100 HB THR 100 11.826 -0.891 -4.663 782 HG1 THR 100 HG1 THR 100 12.857 -0.787 -2.816 783 1HG2 THR 100 1HG2 THR 100 10.708 -3.263 -3.191 784 2HG2 THR 100 2HG2 THR 100 9.877 -2.270 -4.387 785 3HG2 THR 100 3HG2 THR 100 10.338 -1.576 -2.833 786 H ASP 101 H ASP 101 12.702 -1.094 -7.043 787 HA ASP 101 HA ASP 101 15.643 -1.224 -7.192 788 1HB ASP 101 2HB ASP 101 13.623 -0.437 -9.298 789 2HB ASP 101 1HB ASP 101 15.366 -0.312 -9.502 790 H LYS 102 H LYS 102 16.258 1.069 -8.488 791 HA LYS 102 HA LYS 102 15.843 3.023 -6.420 792 1HB LYS 102 2HB LYS 102 17.405 4.434 -7.766 793 2HB LYS 102 1HB LYS 102 18.058 2.888 -7.257 794 1HG LYS 102 2HG LYS 102 18.831 3.047 -9.411 795 2HG LYS 102 1HG LYS 102 17.365 2.099 -9.630 796 1HD LYS 102 2HD LYS 102 17.489 3.764 -11.362 797 2HD LYS 102 1HD LYS 102 16.160 4.161 -10.278 798 1HE LYS 102 2HE LYS 102 17.431 6.147 -10.932 799 2HE LYS 102 1HE LYS 102 17.526 5.859 -9.194 800 1HZ LYS 102 1HZ LYS 102 19.653 6.418 -10.577 801 2HZ LYS 102 2HZ LYS 102 19.632 4.762 -10.921 802 3HZ LYS 102 3HZ LYS 102 19.724 5.291 -9.317 803 H TRP 103 H TRP 103 14.339 2.292 -9.385 804 HA TRP 103 HA TRP 103 13.414 4.944 -9.982 805 1HB TRP 103 2HB TRP 103 12.483 2.248 -10.993 806 2HB TRP 103 1HB TRP 103 11.901 3.794 -11.600 807 HD1 TRP 103 HD1 TRP 103 14.937 1.489 -11.707 808 HE1 TRP 103 HE1 TRP 103 16.531 2.296 -13.560 809 HE3 TRP 103 HE3 TRP 103 12.643 5.904 -12.882 810 HZ2 TRP 103 HZ2 TRP 103 16.788 4.517 -15.281 811 HZ3 TRP 103 HZ3 TRP 103 13.630 7.314 -14.644 812 HH2 TRP 103 HH2 TRP 103 15.660 6.632 -15.818 813 H ASP 104 H ASP 104 12.454 2.385 -7.918 814 HA ASP 104 HA ASP 104 9.710 3.198 -7.628 815 1HB ASP 104 2HB ASP 104 11.436 1.325 -5.990 816 2HB ASP 104 1HB ASP 104 9.716 1.576 -5.720 817 H PHE 105 H PHE 105 8.822 4.439 -6.047 818 HA PHE 105 HA PHE 105 8.638 6.101 -4.522 819 1HB PHE 105 2HB PHE 105 11.003 4.735 -3.203 820 2HB PHE 105 1HB PHE 105 9.957 5.924 -2.442 821 HD1 PHE 105 HD1 PHE 105 10.190 2.467 -3.658 822 HD2 PHE 105 HD2 PHE 105 7.786 5.327 -1.617 823 HE1 PHE 105 HE1 PHE 105 8.721 0.662 -2.868 824 HE2 PHE 105 HE2 PHE 105 6.313 3.519 -0.822 825 HZ PHE 105 HZ PHE 105 6.781 1.187 -1.448 826 H TYR 106 H TYR 106 9.882 6.901 -6.788 827 HA TYR 106 HA TYR 106 11.661 9.002 -5.799 828 1HB TYR 106 2HB TYR 106 13.142 7.217 -6.660 829 2HB TYR 106 1HB TYR 106 12.306 7.260 -8.203 830 HD1 TYR 106 HD1 TYR 106 14.111 7.768 -9.621 831 HD2 TYR 106 HD2 TYR 106 13.398 10.263 -6.233 832 HE1 TYR 106 HE1 TYR 106 15.733 9.400 -10.477 833 HE2 TYR 106 HE2 TYR 106 15.019 11.893 -7.093 834 HH TYR 106 HH TYR 106 15.946 12.496 -9.470 835 H CYS 107 H CYS 107 10.313 10.648 -6.118 836 HA CYS 107 HA CYS 107 8.869 10.908 -8.651 837 1HB CYS 107 1HB CYS 107 7.615 11.169 -6.534 838 2HB CYS 107 2HB CYS 107 8.641 12.529 -6.105 839 H GLN 108 HN GLN 108 9.331 12.425 -10.139 840 HA GLN 108 HA GLN 108 11.445 14.385 -9.507 841 1HB GLN 108 2HB GLN 108 10.944 12.968 -12.133 842 2HB GLN 108 1HB GLN 108 12.142 14.228 -11.878 843 1HG GLN 108 2HG GLN 108 13.309 12.803 -10.276 844 2HG GLN 108 1HG GLN 108 12.103 11.539 -10.522 845 1HE2 GLN 108 1HE2 GLN 108 12.723 9.994 -11.836 846 2HE2 GLN 108 2HE2 GLN 108 13.826 10.151 -13.158 Start of MODEL 5 1 1H MET 1 1HT MET 1 8.200 16.413 -5.591 2 2H MET 1 2HT MET 1 7.754 14.789 -5.429 3 3H MET 1 3HT MET 1 6.990 15.764 -6.580 4 HA MET 1 HA MET 1 8.762 14.140 -7.371 5 1HB MET 1 2HB MET 1 9.584 15.918 -9.018 6 2HB MET 1 1HB MET 1 7.849 15.673 -8.906 7 1HG MET 1 2HG MET 1 7.654 17.663 -7.500 8 2HG MET 1 1HG MET 1 9.397 17.902 -7.596 9 1HE MET 1 1HE MET 1 6.194 18.667 -10.710 10 2HE MET 1 2HE MET 1 6.168 17.481 -9.405 11 3HE MET 1 3HE MET 1 6.918 17.076 -10.949 12 H GLY 2 H GLY 2 10.144 13.574 -5.597 13 1HA GLY 2 2HA GLY 2 12.810 14.488 -5.941 14 2HA GLY 2 1HA GLY 2 12.142 15.095 -4.432 15 HA PRO 3 HA PRO 3 13.461 10.598 -3.974 16 1HB PRO 3 1HB PRO 3 16.041 10.766 -3.267 17 2HB PRO 3 2HB PRO 3 15.536 10.663 -4.926 18 1HG PRO 3 1HG PRO 3 16.570 12.951 -3.395 19 2HG PRO 3 2HG PRO 3 16.664 12.627 -5.130 20 1HD PRO 3 2HD PRO 3 14.879 14.354 -3.805 21 2HD PRO 3 1HD PRO 3 14.833 13.875 -5.504 22 H MET 4 H MET 4 12.763 9.820 -2.124 23 HA MET 4 HA MET 4 13.651 11.038 0.399 24 1HB MET 4 2HB MET 4 11.384 10.615 1.336 25 2HB MET 4 1HB MET 4 11.384 11.800 0.037 26 1HG MET 4 2HG MET 4 9.592 10.603 -0.622 27 2HG MET 4 1HG MET 4 10.836 9.634 -1.407 28 1HE MET 4 1HE MET 4 8.740 8.537 2.545 29 2HE MET 4 2HE MET 4 7.969 9.589 1.357 30 3HE MET 4 3HE MET 4 9.449 10.107 2.166 31 HA PRO 5 HA PRO 5 14.972 7.063 1.880 32 1HB PRO 5 2HB PRO 5 13.080 7.416 4.164 33 2HB PRO 5 1HB PRO 5 14.786 6.960 4.180 34 1HG PRO 5 2HG PRO 5 14.065 9.423 4.828 35 2HG PRO 5 1HG PRO 5 15.501 9.147 3.824 36 1HD PRO 5 1HD PRO 5 12.789 10.118 3.032 37 2HD PRO 5 2HD PRO 5 14.384 10.577 2.406 38 H LYS 6 H LYS 6 14.431 5.092 1.259 39 HA LYS 6 HA LYS 6 11.969 4.352 0.204 40 1HB LYS 6 1HB LYS 6 14.147 2.560 1.292 41 2HB LYS 6 2HB LYS 6 12.834 2.039 0.248 42 1HG LYS 6 1HG LYS 6 13.669 3.483 -1.534 43 2HG LYS 6 2HG LYS 6 14.980 4.021 -0.486 44 1HD LYS 6 2HD LYS 6 15.921 2.358 -1.872 45 2HD LYS 6 1HD LYS 6 15.655 1.578 -0.312 46 1HE LYS 6 2HE LYS 6 13.591 0.578 -1.158 47 2HE LYS 6 1HE LYS 6 13.852 1.357 -2.720 48 1HZ LYS 6 1HZ LYS 6 15.010 -0.422 -3.300 49 2HZ LYS 6 2HZ LYS 6 14.925 -1.074 -1.742 50 3HZ LYS 6 3HZ LYS 6 16.179 -0.015 -2.147 51 H LEU 7 H LEU 7 10.162 3.449 0.975 52 HA LEU 7 HA LEU 7 9.752 3.354 3.823 53 1HB LEU 7 2HB LEU 7 8.055 4.176 2.164 54 2HB LEU 7 1HB LEU 7 7.873 2.526 1.604 55 HG LEU 7 HG LEU 7 7.148 1.919 3.952 56 1HD1 LEU 7 1HD1 LEU 7 6.297 4.634 4.557 57 2HD1 LEU 7 2HD1 LEU 7 8.050 4.445 4.582 58 3HD1 LEU 7 3HD1 LEU 7 7.038 3.420 5.600 59 1HD2 LEU 7 1HD2 LEU 7 4.936 3.418 3.553 60 2HD2 LEU 7 2HD2 LEU 7 5.303 1.936 2.670 61 3HD2 LEU 7 3HD2 LEU 7 5.683 3.503 1.957 62 H ALA 8 H ALA 8 10.155 1.077 1.188 63 HA ALA 8 HA ALA 8 10.601 -1.078 3.099 64 1HB ALA 8 1HB ALA 8 9.159 -2.398 1.162 65 2HB ALA 8 2HB ALA 8 8.258 -0.899 1.377 66 3HB ALA 8 3HB ALA 8 8.568 -1.947 2.762 67 H ASP 9 H ASP 9 11.407 -3.092 1.897 68 HA ASP 9 HA ASP 9 13.212 -2.221 -0.261 69 1HB ASP 9 1HB ASP 9 13.544 -4.434 1.776 70 2HB ASP 9 2HB ASP 9 14.662 -4.125 0.452 71 H ARG 10 H ARG 10 11.453 -5.121 0.876 72 HA ARG 10 HA ARG 10 11.165 -5.943 -1.943 73 1HB ARG 10 2HB ARG 10 11.510 -7.607 0.538 74 2HB ARG 10 1HB ARG 10 10.816 -8.283 -0.920 75 1HG ARG 10 1HG ARG 10 13.038 -8.897 -1.055 76 2HG ARG 10 2HG ARG 10 12.968 -7.456 -2.067 77 1HD ARG 10 2HD ARG 10 13.841 -6.110 -0.233 78 2HD ARG 10 1HD ARG 10 13.885 -7.535 0.804 79 HE ARG 10 HE ARG 10 15.379 -8.067 -1.502 80 1HH1 ARG 10 1HH1 ARG 10 15.554 -6.021 1.342 81 2HH1 ARG 10 2HH1 ARG 10 17.283 -5.971 1.340 82 1HH2 ARG 10 1HH2 ARG 10 17.647 -7.990 -1.487 83 2HH2 ARG 10 2HH2 ARG 10 18.468 -7.084 -0.259 84 H LYS 11 H LYS 11 9.193 -6.795 -2.620 85 HA LYS 11 HA LYS 11 6.907 -6.401 -0.806 86 1HB LYS 11 2HB LYS 11 5.630 -5.542 -2.750 87 2HB LYS 11 1HB LYS 11 7.001 -4.522 -2.336 88 1HG LYS 11 2HG LYS 11 8.279 -5.756 -4.151 89 2HG LYS 11 1HG LYS 11 6.719 -6.407 -4.656 90 1HD LYS 11 2HD LYS 11 5.875 -4.123 -4.943 91 2HD LYS 11 1HD LYS 11 7.452 -3.494 -4.467 92 1HE LYS 11 2HE LYS 11 8.479 -4.616 -6.383 93 2HE LYS 11 1HE LYS 11 6.903 -5.249 -6.857 94 1HZ LYS 11 1HZ LYS 11 8.021 -2.619 -7.243 95 2HZ LYS 11 2HZ LYS 11 6.427 -2.608 -6.677 96 3HZ LYS 11 3HZ LYS 11 6.809 -3.418 -8.111 97 H LEU 12 H LEU 12 4.851 -7.402 -1.943 98 HA LEU 12 HA LEU 12 5.580 -10.061 -2.992 99 1HB LEU 12 2HB LEU 12 3.351 -9.322 -1.091 100 2HB LEU 12 1HB LEU 12 3.487 -10.884 -1.871 101 HG LEU 12 HG LEU 12 5.600 -9.762 -0.029 102 1HD1 LEU 12 1HD1 LEU 12 3.276 -11.586 0.555 103 2HD1 LEU 12 2HD1 LEU 12 3.615 -10.012 1.274 104 3HD1 LEU 12 3HD1 LEU 12 4.665 -11.384 1.622 105 1HD2 LEU 12 1HD2 LEU 12 5.294 -12.657 -0.393 106 2HD2 LEU 12 2HD2 LEU 12 6.752 -11.664 -0.349 107 3HD2 LEU 12 3HD2 LEU 12 5.812 -11.786 -1.837 108 H CYS 13 H CYS 13 4.886 -10.382 -4.987 109 HA CYS 13 HA CYS 13 2.403 -9.072 -5.884 110 1HB CYS 13 2HB CYS 13 4.875 -9.560 -7.563 111 2HB CYS 13 1HB CYS 13 3.399 -8.760 -8.087 112 H ALA 14 H ALA 14 1.692 -10.177 -8.078 113 HA ALA 14 HA ALA 14 1.237 -12.954 -7.457 114 1HB ALA 14 1HB ALA 14 0.263 -11.112 -9.614 115 2HB ALA 14 2HB ALA 14 -0.651 -11.905 -8.332 116 3HB ALA 14 3HB ALA 14 -0.042 -12.849 -9.693 117 H ASP 15 H ASP 15 3.037 -11.129 -9.885 118 HA ASP 15 HA ASP 15 4.396 -13.619 -10.671 119 1HB ASP 15 2HB ASP 15 3.432 -11.396 -12.477 120 2HB ASP 15 1HB ASP 15 4.610 -12.602 -12.984 121 H GLN 16 H GLN 16 6.481 -13.065 -11.930 122 HA GLN 16 HA GLN 16 8.190 -11.605 -10.201 123 1HB GLN 16 2HB GLN 16 8.817 -13.602 -11.608 124 2HB GLN 16 1HB GLN 16 8.795 -12.545 -13.011 125 1HG GLN 16 2HG GLN 16 10.578 -11.197 -12.027 126 2HG GLN 16 1HG GLN 16 10.596 -12.251 -10.615 127 1HE2 GLN 16 1HE2 GLN 16 12.137 -11.593 -13.411 128 2HE2 GLN 16 2HE2 GLN 16 12.860 -13.128 -13.728 129 H GLU 17 H GLU 17 6.278 -10.687 -12.894 130 HA GLU 17 HA GLU 17 7.816 -8.293 -13.504 131 1HB GLU 17 2HB GLU 17 5.186 -9.330 -14.585 132 2HB GLU 17 1HB GLU 17 5.965 -7.862 -15.141 133 1HG GLU 17 1HG GLU 17 7.256 -10.577 -15.285 134 2HG GLU 17 2HG GLU 17 6.286 -9.890 -16.584 135 H CYS 18 H CYS 18 5.235 -9.287 -11.483 136 HA CYS 18 HA CYS 18 3.777 -8.248 -10.096 137 1HB CYS 18 1HB CYS 18 6.007 -7.293 -9.295 138 2HB CYS 18 2HB CYS 18 5.602 -5.841 -10.203 139 H SER 19 H SER 19 3.427 -8.045 -12.920 140 HA SER 19 HA SER 19 2.128 -5.459 -13.311 141 1HB SER 19 2HB SER 19 3.733 -6.210 -15.015 142 2HB SER 19 1HB SER 19 2.764 -7.648 -15.274 143 HG SER 19 HG SER 19 2.245 -6.110 -16.829 144 H HIS 20 H HIS 20 1.213 -7.925 -11.738 145 HA HIS 20 HA HIS 20 -1.444 -8.200 -12.980 146 1HB HIS 20 2HB HIS 20 0.364 -10.197 -11.726 147 2HB HIS 20 1HB HIS 20 -1.355 -10.374 -11.420 148 HD1 HIS 20 HD1 HIS 20 -0.590 -12.670 -12.742 149 HD2 HIS 20 HD2 HIS 20 -1.078 -9.221 -14.999 150 HE1 HIS 20 HE1 HIS 20 -1.014 -13.464 -15.069 151 HE2 HIS 20 HE2 HIS 20 -1.373 -11.363 -16.423 152 HA PRO 21 HA PRO 21 -2.918 -6.745 -9.014 153 1HB PRO 21 1HB PRO 21 -5.598 -7.129 -9.451 154 2HB PRO 21 2HB PRO 21 -4.666 -5.797 -10.140 155 1HG PRO 21 1HG PRO 21 -5.851 -8.068 -11.485 156 2HG PRO 21 2HG PRO 21 -5.088 -6.635 -12.188 157 1HD PRO 21 1HD PRO 21 -3.987 -9.314 -11.794 158 2HD PRO 21 2HD PRO 21 -3.377 -7.976 -12.793 159 H ILE 22 H ILE 22 -2.707 -7.850 -7.163 160 HA ILE 22 HA ILE 22 -3.133 -10.614 -6.882 161 HB ILE 22 HB ILE 22 -3.002 -8.565 -4.658 162 1HG1 ILE 22 1HG1 ILE 22 -0.749 -10.241 -5.792 163 2HG1 ILE 22 2HG1 ILE 22 -1.055 -8.574 -6.281 164 1HG2 ILE 22 1HG2 ILE 22 -1.961 -11.258 -4.168 165 2HG2 ILE 22 2HG2 ILE 22 -3.697 -11.220 -4.477 166 3HG2 ILE 22 3HG2 ILE 22 -3.011 -10.253 -3.170 167 1HD1 ILE 22 1HD1 ILE 22 -0.908 -8.162 -3.677 168 2HD1 ILE 22 2HD1 ILE 22 0.530 -8.228 -4.696 169 3HD1 ILE 22 3HD1 ILE 22 0.055 -9.637 -3.748 170 H SER 23 H SER 23 -4.968 -7.991 -5.259 171 HA SER 23 HA SER 23 -7.411 -9.557 -5.653 172 1HB SER 23 2HB SER 23 -6.516 -8.489 -2.967 173 2HB SER 23 1HB SER 23 -8.070 -9.253 -3.299 174 HG SER 23 HG SER 23 -5.743 -10.408 -2.701 175 H MET 24 H MET 24 -9.292 -8.413 -5.710 176 HA MET 24 HA MET 24 -9.054 -5.546 -6.158 177 1HB MET 24 1HB MET 24 -10.273 -7.067 -7.749 178 2HB MET 24 2HB MET 24 -11.468 -7.335 -6.488 179 1HG MET 24 2HG MET 24 -10.853 -4.541 -7.274 180 2HG MET 24 1HG MET 24 -11.800 -5.534 -8.371 181 1HE MET 24 1HE MET 24 -14.146 -6.449 -7.910 182 2HE MET 24 2HE MET 24 -15.020 -6.301 -6.385 183 3HE MET 24 3HE MET 24 -13.602 -7.345 -6.492 184 H ALA 25 H ALA 25 -9.301 -4.239 -4.449 185 HA ALA 25 HA ALA 25 -11.139 -5.099 -2.308 186 1HB ALA 25 1HB ALA 25 -9.207 -5.026 -1.138 187 2HB ALA 25 2HB ALA 25 -9.608 -3.313 -1.031 188 3HB ALA 25 3HB ALA 25 -8.451 -3.873 -2.237 189 H VAL 26 H VAL 26 -12.574 -3.679 -1.446 190 HA VAL 26 HA VAL 26 -13.113 -1.266 -3.033 191 HB VAL 26 HB VAL 26 -14.872 -2.583 -0.942 192 1HG1 VAL 26 1HG2 VAL 26 -16.596 -1.264 -2.478 193 2HG1 VAL 26 2HG2 VAL 26 -15.190 -0.229 -2.725 194 3HG1 VAL 26 3HG2 VAL 26 -15.804 -0.508 -1.095 195 1HG2 VAL 26 1HG1 VAL 26 -16.083 -3.005 -3.361 196 2HG2 VAL 26 2HG1 VAL 26 -15.131 -4.196 -2.474 197 3HG2 VAL 26 3HG1 VAL 26 -14.377 -3.237 -3.748 198 H ALA 27 H ALA 27 -13.011 0.772 -2.202 199 HA ALA 27 HA ALA 27 -11.587 1.168 0.261 200 1HB ALA 27 1HB ALA 27 -11.123 3.205 -0.535 201 2HB ALA 27 2HB ALA 27 -12.803 3.528 -0.971 202 3HB ALA 27 3HB ALA 27 -11.778 2.581 -2.050 203 H LEU 28 H LEU 28 -12.306 1.748 2.193 204 HA LEU 28 HA LEU 28 -15.193 1.945 2.606 205 1HB LEU 28 2HB LEU 28 -12.918 1.358 4.493 206 2HB LEU 28 1HB LEU 28 -14.583 1.547 5.012 207 HG LEU 28 HG LEU 28 -13.681 -0.558 3.045 208 1HD1 LEU 28 1HD2 LEU 28 -12.650 -1.459 4.825 209 2HD1 LEU 28 2HD2 LEU 28 -14.285 -1.914 5.307 210 3HD1 LEU 28 3HD2 LEU 28 -13.540 -0.463 5.976 211 1HD2 LEU 28 1HD1 LEU 28 -16.259 0.262 4.169 212 2HD2 LEU 28 2HD1 LEU 28 -15.933 -1.468 4.284 213 3HD2 LEU 28 3HD1 LEU 28 -15.895 -0.667 2.714 214 H GLN 29 H GLN 29 -12.380 3.917 2.611 215 HA GLN 29 HA GLN 29 -13.949 6.184 3.501 216 1HB GLN 29 1HB GLN 29 -12.357 6.895 5.232 217 2HB GLN 29 2HB GLN 29 -13.100 5.353 5.627 218 1HG GLN 29 2HG GLN 29 -11.103 4.170 4.982 219 2HG GLN 29 1HG GLN 29 -10.358 5.668 4.426 220 1HE2 GLN 29 1HE2 GLN 29 -9.042 6.625 5.791 221 2HE2 GLN 29 2HE2 GLN 29 -9.036 6.434 7.507 222 H ASP 30 H ASP 30 -12.204 8.166 3.709 223 HA ASP 30 HA ASP 30 -10.961 8.265 1.060 224 1HB ASP 30 1HB ASP 30 -11.768 10.442 2.990 225 2HB ASP 30 2HB ASP 30 -10.875 10.750 1.505 226 H TYR 31 H TYR 31 -8.919 9.254 0.747 227 HA TYR 31 HA TYR 31 -7.116 9.600 2.988 228 1HB TYR 31 2HB TYR 31 -7.105 7.111 2.274 229 2HB TYR 31 1HB TYR 31 -6.331 7.673 0.801 230 HD1 TYR 31 HD1 TYR 31 -4.020 7.848 0.715 231 HD2 TYR 31 HD2 TYR 31 -5.934 7.830 4.517 232 HE1 TYR 31 HE1 TYR 31 -1.824 7.788 1.814 233 HE2 TYR 31 HE2 TYR 31 -3.741 7.769 5.626 234 HH TYR 31 HH TYR 31 -1.224 8.604 4.774 235 H MET 32 H MET 32 -5.302 10.878 2.439 236 HA MET 32 HA MET 32 -5.349 11.983 -0.295 237 1HB MET 32 2HB MET 32 -4.715 13.349 2.320 238 2HB MET 32 1HB MET 32 -4.281 14.034 0.765 239 1HG MET 32 1HG MET 32 -6.268 15.079 1.357 240 2HG MET 32 2HG MET 32 -6.708 13.875 0.159 241 1HE MET 32 1HE MET 32 -8.758 15.329 1.823 242 2HE MET 32 2HE MET 32 -9.776 14.146 2.646 243 3HE MET 32 3HE MET 32 -9.405 13.951 0.932 244 H ALA 33 H ALA 33 -3.486 12.084 -1.442 245 HA ALA 33 HA ALA 33 -1.221 10.587 -0.398 246 1HB ALA 33 1HB ALA 33 -1.403 11.739 -3.155 247 2HB ALA 33 2HB ALA 33 -2.291 10.285 -2.702 248 3HB ALA 33 3HB ALA 33 -0.531 10.311 -2.602 249 HA PRO 34 HA PRO 34 0.835 14.565 0.423 250 1HB PRO 34 2HB PRO 34 2.893 13.009 1.765 251 2HB PRO 34 1HB PRO 34 1.757 14.171 2.451 252 1HG PRO 34 2HG PRO 34 1.626 11.517 2.959 253 2HG PRO 34 1HG PRO 34 0.187 12.560 2.914 254 1HD PRO 34 2HD PRO 34 1.262 10.718 0.800 255 2HD PRO 34 1HD PRO 34 -0.411 10.951 1.347 256 H ASP 35 H ASP 35 3.020 11.756 -0.086 257 HA ASP 35 HA ASP 35 4.742 13.420 -1.740 258 1HB ASP 35 2HB ASP 35 6.308 11.494 -1.649 259 2HB ASP 35 1HB ASP 35 5.859 12.108 -0.063 260 H CYS 36 H CYS 36 5.799 12.293 -3.641 261 HA CYS 36 HA CYS 36 3.913 11.948 -5.677 262 1HB CYS 36 2HB CYS 36 5.773 11.578 -7.131 263 2HB CYS 36 1HB CYS 36 6.273 12.764 -5.930 264 H ARG 37 H ARG 37 5.374 9.529 -3.586 265 HA ARG 37 HA ARG 37 4.478 7.450 -5.434 266 1HB ARG 37 2HB ARG 37 5.755 5.868 -3.989 267 2HB ARG 37 1HB ARG 37 6.718 7.096 -4.791 268 1HG ARG 37 2HG ARG 37 6.725 8.386 -2.661 269 2HG ARG 37 1HG ARG 37 5.929 7.009 -1.893 270 1HD ARG 37 2HD ARG 37 7.993 6.258 -1.474 271 2HD ARG 37 1HD ARG 37 8.041 5.828 -3.181 272 HE ARG 37 HE ARG 37 9.545 7.874 -1.877 273 1HH1 ARG 37 1HH1 ARG 37 8.263 6.911 -5.004 274 2HH1 ARG 37 2HH1 ARG 37 9.301 7.983 -5.878 275 1HH2 ARG 37 1HH2 ARG 37 10.895 9.252 -3.050 276 2HH2 ARG 37 2HH2 ARG 37 10.790 9.299 -4.779 277 H PHE 38 H PHE 38 2.752 9.079 -3.471 278 HA PHE 38 HA PHE 38 1.489 6.736 -2.204 279 1HB PHE 38 2HB PHE 38 1.882 9.482 -1.254 280 2HB PHE 38 1HB PHE 38 0.233 8.900 -1.062 281 HD1 PHE 38 HD1 PHE 38 3.661 7.424 -0.597 282 HD2 PHE 38 HD2 PHE 38 -0.216 8.104 1.025 283 HE1 PHE 38 HE1 PHE 38 4.302 6.205 1.439 284 HE2 PHE 38 HE2 PHE 38 0.424 6.889 3.065 285 HZ PHE 38 HZ PHE 38 2.684 5.937 3.274 286 H LEU 39 H LEU 39 -0.958 6.832 -2.141 287 HA LEU 39 HA LEU 39 -1.961 8.045 -4.640 288 1HB LEU 39 2HB LEU 39 -1.601 5.641 -4.862 289 2HB LEU 39 1HB LEU 39 -2.621 5.343 -3.473 290 HG LEU 39 HG LEU 39 -4.578 6.150 -4.728 291 1HD1 LEU 39 1HD2 LEU 39 -3.474 7.728 -6.232 292 2HD1 LEU 39 2HD2 LEU 39 -4.422 6.543 -7.134 293 3HD1 LEU 39 3HD2 LEU 39 -2.667 6.389 -7.051 294 1HD2 LEU 39 1HD1 LEU 39 -3.624 4.248 -6.682 295 2HD2 LEU 39 2HD1 LEU 39 -4.880 4.072 -5.456 296 3HD2 LEU 39 3HD1 LEU 39 -3.195 3.767 -5.040 297 H THR 40 H THR 40 -3.863 9.074 -4.634 298 HA THR 40 HA THR 40 -5.193 9.517 -2.076 299 HB THR 40 HB THR 40 -5.662 10.821 -4.777 300 HG1 THR 40 HG1 THR 40 -4.207 12.254 -4.223 301 1HG2 THR 40 1HG2 THR 40 -7.430 10.924 -2.778 302 2HG2 THR 40 2HG2 THR 40 -7.119 12.279 -3.862 303 3HG2 THR 40 3HG2 THR 40 -6.351 12.226 -2.274 304 H ILE 41 H ILE 41 -7.075 8.605 -1.540 305 HA ILE 41 HA ILE 41 -8.664 7.275 -3.637 306 HB ILE 41 HB ILE 41 -7.737 6.183 -0.980 307 1HG1 ILE 41 1HG1 ILE 41 -7.830 4.861 -3.693 308 2HG1 ILE 41 2HG1 ILE 41 -6.476 5.869 -3.181 309 1HG2 ILE 41 1HG2 ILE 41 -9.258 4.195 -1.518 310 2HG2 ILE 41 2HG2 ILE 41 -10.142 5.310 -2.560 311 3HG2 ILE 41 3HG2 ILE 41 -10.012 5.634 -0.831 312 1HD1 ILE 41 1HD1 ILE 41 -6.747 4.107 -1.094 313 2HD1 ILE 41 2HD1 ILE 41 -5.582 3.985 -2.413 314 3HD1 ILE 41 3HD1 ILE 41 -7.116 3.118 -2.508 315 H HIS 42 H HIS 42 -10.903 7.161 -3.322 316 HA HIS 42 HA HIS 42 -11.985 8.921 -1.220 317 1HB HIS 42 2HB HIS 42 -13.069 8.429 -4.006 318 2HB HIS 42 1HB HIS 42 -13.876 9.382 -2.768 319 HD1 HIS 42 HD1 HIS 42 -12.053 11.386 -1.819 320 HD2 HIS 42 HD2 HIS 42 -11.782 10.034 -5.737 321 HE1 HIS 42 HE1 HIS 42 -10.833 13.193 -3.069 322 HE2 HIS 42 HE2 HIS 42 -10.775 12.399 -5.459 323 H ARG 43 H ARG 43 -13.973 8.275 -0.250 324 HA ARG 43 HA ARG 43 -14.173 5.542 0.331 325 1HB ARG 43 2HB ARG 43 -14.950 7.316 1.839 326 2HB ARG 43 1HB ARG 43 -16.239 7.717 0.720 327 1HG ARG 43 2HG ARG 43 -17.225 5.507 1.077 328 2HG ARG 43 1HG ARG 43 -15.925 5.117 2.204 329 1HD ARG 43 2HD ARG 43 -16.616 7.034 3.603 330 2HD ARG 43 1HD ARG 43 -17.968 7.315 2.506 331 HE ARG 43 HE ARG 43 -18.046 4.656 3.380 332 1HH1 ARG 43 1HH1 ARG 43 -18.537 7.884 4.659 333 2HH1 ARG 43 2HH1 ARG 43 -19.650 7.358 5.874 334 1HH2 ARG 43 1HH2 ARG 43 -19.508 3.984 4.981 335 2HH2 ARG 43 2HH2 ARG 43 -20.201 5.151 6.058 336 H GLY 44 H GLY 44 -14.837 3.944 -0.930 337 1HA GLY 44 2HA GLY 44 -16.648 2.794 -1.983 338 2HA GLY 44 1HA GLY 44 -17.263 4.338 -2.543 339 H GLN 45 H GLN 45 -13.915 4.217 -3.068 340 HA GLN 45 HA GLN 45 -14.397 3.811 -5.903 341 1HB GLN 45 1HB GLN 45 -11.924 4.694 -4.406 342 2HB GLN 45 2HB GLN 45 -11.971 4.436 -6.145 343 1HG GLN 45 2HG GLN 45 -13.911 6.098 -6.163 344 2HG GLN 45 1HG GLN 45 -13.385 6.522 -4.533 345 1HE2 GLN 45 1HE2 GLN 45 -13.176 7.437 -7.631 346 2HE2 GLN 45 2HE2 GLN 45 -11.644 8.233 -7.622 347 H VAL 46 H VAL 46 -13.332 2.377 -7.225 348 HA VAL 46 HA VAL 46 -12.758 -0.208 -6.059 349 HB VAL 46 HB VAL 46 -12.657 0.720 -8.948 350 1HG1 VAL 46 1HG1 VAL 46 -11.656 -1.646 -7.820 351 2HG1 VAL 46 2HG1 VAL 46 -11.868 -1.268 -9.531 352 3HG1 VAL 46 3HG1 VAL 46 -13.154 -2.085 -8.639 353 1HG2 VAL 46 1HG2 VAL 46 -14.804 -0.716 -9.026 354 2HG2 VAL 46 2HG2 VAL 46 -14.891 0.922 -8.376 355 3HG2 VAL 46 3HG2 VAL 46 -14.842 -0.460 -7.281 356 H VAL 47 H VAL 47 -10.757 -0.690 -5.316 357 HA VAL 47 HA VAL 47 -8.460 0.561 -6.681 358 HB VAL 47 HB VAL 47 -8.475 -0.183 -3.754 359 1HG1 VAL 47 1HG1 VAL 47 -6.426 0.920 -3.592 360 2HG1 VAL 47 2HG1 VAL 47 -6.655 1.772 -5.120 361 3HG1 VAL 47 3HG1 VAL 47 -6.308 0.042 -5.117 362 1HG2 VAL 47 1HG2 VAL 47 -10.130 1.664 -4.423 363 2HG2 VAL 47 2HG2 VAL 47 -8.698 2.636 -4.761 364 3HG2 VAL 47 3HG2 VAL 47 -8.978 2.014 -3.134 365 H TYR 48 H TYR 48 -7.268 -0.852 -7.732 366 HA TYR 48 HA TYR 48 -7.337 -3.673 -7.048 367 1HB TYR 48 2HB TYR 48 -6.230 -2.113 -9.367 368 2HB TYR 48 1HB TYR 48 -5.696 -3.755 -9.084 369 HD1 TYR 48 HD1 TYR 48 -9.205 -2.538 -8.612 370 HD2 TYR 48 HD2 TYR 48 -6.498 -4.749 -11.043 371 HE1 TYR 48 HE1 TYR 48 -11.088 -3.382 -9.943 372 HE2 TYR 48 HE2 TYR 48 -8.380 -5.601 -12.370 373 HH TYR 48 HH TYR 48 -10.967 -4.524 -12.796 374 H VAL 49 H VAL 49 -5.868 -4.600 -5.760 375 HA VAL 49 HA VAL 49 -3.501 -3.112 -4.950 376 HB VAL 49 HB VAL 49 -4.387 -5.861 -4.033 377 1HG1 VAL 49 1HG1 VAL 49 -2.184 -5.677 -3.355 378 2HG1 VAL 49 2HG1 VAL 49 -3.052 -5.038 -1.958 379 3HG1 VAL 49 3HG1 VAL 49 -2.296 -3.934 -3.107 380 1HG2 VAL 49 1HG2 VAL 49 -6.174 -4.595 -3.335 381 2HG2 VAL 49 2HG2 VAL 49 -5.208 -3.131 -3.157 382 3HG2 VAL 49 3HG2 VAL 49 -5.085 -4.420 -1.959 383 H PHE 50 H PHE 50 -1.465 -3.515 -5.651 384 HA PHE 50 HA PHE 50 -1.094 -5.794 -7.475 385 1HB PHE 50 2HB PHE 50 0.084 -3.030 -7.491 386 2HB PHE 50 1HB PHE 50 0.882 -4.354 -8.328 387 HD1 PHE 50 HD1 PHE 50 -2.400 -2.585 -8.131 388 HD2 PHE 50 HD2 PHE 50 0.301 -4.874 -10.495 389 HE1 PHE 50 HE1 PHE 50 -3.824 -2.226 -10.103 390 HE2 PHE 50 HE2 PHE 50 -1.119 -4.516 -12.469 391 HZ PHE 50 HZ PHE 50 -3.184 -3.191 -12.276 392 H SER 51 H SER 51 0.329 -4.074 -4.735 393 HA SER 51 HA SER 51 2.041 -6.393 -4.266 394 1HB SER 51 2HB SER 51 4.024 -4.950 -3.865 395 2HB SER 51 1HB SER 51 3.492 -4.932 -5.542 396 HG SER 51 HG SER 51 3.981 -2.834 -4.550 397 H LYS 52 H LYS 52 2.740 -6.703 -2.185 398 HA LYS 52 HA LYS 52 1.627 -4.901 -0.128 399 1HB LYS 52 1HB LYS 52 2.028 -7.857 0.324 400 2HB LYS 52 2HB LYS 52 1.099 -6.730 1.286 401 1HG LYS 52 1HG LYS 52 -0.526 -6.541 -0.570 402 2HG LYS 52 2HG LYS 52 0.384 -7.770 -1.447 403 1HD LYS 52 1HD LYS 52 -0.047 -9.363 0.336 404 2HD LYS 52 2HD LYS 52 -0.902 -8.121 1.255 405 1HE LYS 52 1HE LYS 52 -1.691 -9.273 -1.416 406 2HE LYS 52 2HE LYS 52 -2.496 -9.511 0.131 407 1HZ LYS 52 1HZ LYS 52 -3.794 -7.862 -0.617 408 2HZ LYS 52 2HZ LYS 52 -2.624 -7.254 -1.676 409 3HZ LYS 52 3HZ LYS 52 -2.556 -6.868 -0.031 410 H LEU 53 H LEU 53 3.259 -3.865 0.821 411 HA LEU 53 HA LEU 53 5.964 -4.589 0.530 412 1HB LEU 53 1HB LEU 53 4.796 -2.721 2.586 413 2HB LEU 53 2HB LEU 53 6.455 -2.747 2.014 414 HG LEU 53 HG LEU 53 4.065 -2.070 0.290 415 1HD1 LEU 53 1HD2 LEU 53 4.458 0.178 0.640 416 2HD1 LEU 53 2HD2 LEU 53 6.091 -0.095 1.249 417 3HD1 LEU 53 3HD2 LEU 53 4.696 -0.510 2.248 418 1HD2 LEU 53 1HD1 LEU 53 6.377 -0.974 -0.799 419 2HD2 LEU 53 2HD1 LEU 53 5.478 -2.368 -1.405 420 3HD2 LEU 53 3HD1 LEU 53 6.842 -2.604 -0.311 421 H LYS 54 H LYS 54 7.524 -5.254 2.011 422 HA LYS 54 HA LYS 54 6.494 -6.755 4.335 423 1HB LYS 54 1HB LYS 54 8.844 -7.410 2.548 424 2HB LYS 54 2HB LYS 54 8.439 -8.276 4.020 425 1HG LYS 54 2HG LYS 54 6.330 -8.977 3.044 426 2HG LYS 54 1HG LYS 54 6.694 -8.063 1.578 427 1HD LYS 54 1HD LYS 54 7.289 -10.268 1.061 428 2HD LYS 54 2HD LYS 54 8.815 -9.475 1.429 429 1HE LYS 54 2HE LYS 54 8.761 -10.412 3.689 430 2HE LYS 54 1HE LYS 54 7.230 -11.208 3.324 431 1HZ LYS 54 1HZ LYS 54 8.298 -12.565 1.700 432 2HZ LYS 54 2HZ LYS 54 9.201 -12.670 3.127 433 3HZ LYS 54 3HZ LYS 54 9.753 -11.713 1.845 434 H GLY 55 H GLY 55 9.199 -4.866 3.041 435 1HA GLY 55 1HA GLY 55 10.758 -4.819 5.408 436 2HA GLY 55 2HA GLY 55 10.903 -3.705 4.059 437 H ARG 56 H ARG 56 9.777 -4.201 7.225 438 HA ARG 56 HA ARG 56 8.600 -3.041 8.759 439 1HB ARG 56 2HB ARG 56 9.485 -0.870 9.275 440 2HB ARG 56 1HB ARG 56 10.787 -1.926 8.759 441 1HG ARG 56 1HG ARG 56 10.652 -0.846 6.506 442 2HG ARG 56 2HG ARG 56 9.531 0.321 7.213 443 1HD ARG 56 2HD ARG 56 11.282 0.832 8.927 444 2HD ARG 56 1HD ARG 56 12.389 -0.186 8.013 445 HE ARG 56 HE ARG 56 12.683 1.535 6.548 446 1HH1 ARG 56 1HH1 ARG 56 9.714 2.168 8.317 447 2HH1 ARG 56 2HH1 ARG 56 9.481 3.722 7.592 448 1HH2 ARG 56 1HH2 ARG 56 12.357 3.578 5.617 449 2HH2 ARG 56 2HH2 ARG 56 10.973 4.518 6.066 450 H GLY 57 H GLY 57 7.234 -3.233 6.158 451 1HA GLY 57 1HA GLY 57 5.499 -0.851 6.324 452 2HA GLY 57 2HA GLY 57 5.693 -1.847 4.886 453 H ARG 58 H ARG 58 5.299 -4.292 5.522 454 HA ARG 58 HA ARG 58 3.763 -5.903 5.772 455 1HB ARG 58 2HB ARG 58 4.640 -5.534 8.098 456 2HB ARG 58 1HB ARG 58 3.204 -4.575 8.420 457 1HG ARG 58 2HG ARG 58 2.836 -6.741 9.290 458 2HG ARG 58 1HG ARG 58 1.827 -6.578 7.856 459 1HD ARG 58 2HD ARG 58 2.856 -8.764 7.873 460 2HD ARG 58 1HD ARG 58 3.535 -7.807 6.557 461 HE ARG 58 HE ARG 58 5.173 -7.502 8.805 462 1HH1 ARG 58 1HH1 ARG 58 4.272 -10.007 6.521 463 2HH1 ARG 58 2HH1 ARG 58 5.774 -10.854 6.683 464 1HH2 ARG 58 1HH2 ARG 58 7.135 -8.625 9.002 465 2HH2 ARG 58 2HH2 ARG 58 7.394 -10.072 8.086 466 H LEU 59 H LEU 59 2.016 -3.366 7.521 467 HA LEU 59 HA LEU 59 -0.470 -4.068 6.294 468 1HB LEU 59 2HB LEU 59 0.254 -1.746 8.085 469 2HB LEU 59 1HB LEU 59 -1.377 -2.175 7.610 470 HG LEU 59 HG LEU 59 0.437 -4.004 9.192 471 1HD1 LEU 59 1HD1 LEU 59 -0.500 -3.246 11.169 472 2HD1 LEU 59 2HD1 LEU 59 -1.867 -2.489 10.351 473 3HD1 LEU 59 3HD1 LEU 59 -0.267 -1.753 10.260 474 1HD2 LEU 59 1HD2 LEU 59 -2.479 -4.087 8.452 475 2HD2 LEU 59 2HD2 LEU 59 -1.802 -5.042 9.771 476 3HD2 LEU 59 3HD2 LEU 59 -1.232 -5.289 8.120 477 H PHE 60 H PHE 60 2.094 -2.112 5.299 478 HA PHE 60 HA PHE 60 0.414 -0.222 3.857 479 1HB PHE 60 2HB PHE 60 3.397 -0.511 4.164 480 2HB PHE 60 1HB PHE 60 2.699 0.576 2.972 481 HD1 PHE 60 HD1 PHE 60 2.180 2.742 3.561 482 HD2 PHE 60 HD2 PHE 60 2.611 -0.175 6.634 483 HE1 PHE 60 HE1 PHE 60 1.996 4.509 5.262 484 HE2 PHE 60 HE2 PHE 60 2.422 1.589 8.338 485 HZ PHE 60 HZ PHE 60 2.113 3.934 7.653 486 H TRP 61 H TRP 61 -0.405 -0.652 1.968 487 HA TRP 61 HA TRP 61 0.867 -2.667 0.236 488 1HB TRP 61 2HB TRP 61 -2.021 -1.788 0.475 489 2HB TRP 61 1HB TRP 61 -1.434 -2.834 -0.809 490 HD1 TRP 61 HD1 TRP 61 0.478 -4.267 1.778 491 HE1 TRP 61 HE1 TRP 61 -0.729 -6.157 3.023 492 HE3 TRP 61 HE3 TRP 61 -4.339 -3.269 0.341 493 HZ2 TRP 61 HZ2 TRP 61 -3.351 -7.103 3.372 494 HZ3 TRP 61 HZ3 TRP 61 -6.134 -4.723 1.187 495 HH2 TRP 61 HH2 TRP 61 -5.650 -6.598 2.670 496 H GLY 62 H GLY 62 -0.146 -2.186 -2.188 497 1HA GLY 62 2HA GLY 62 -0.133 0.624 -2.868 498 2HA GLY 62 1HA GLY 62 1.369 -0.226 -3.330 499 H GLY 63 H GLY 63 -0.921 1.034 -4.888 500 1HA GLY 63 2HA GLY 63 -0.918 -0.775 -7.049 501 2HA GLY 63 1HA GLY 63 -2.442 -0.919 -6.187 502 H SER 64 H SER 64 -3.697 -0.132 -7.842 503 HA SER 64 HA SER 64 -3.518 2.769 -8.282 504 1HB SER 64 1HB SER 64 -4.080 2.459 -10.668 505 2HB SER 64 2HB SER 64 -2.541 1.700 -10.262 506 HG SER 64 HG SER 64 -3.987 0.390 -11.555 507 H VAL 65 H VAL 65 -5.607 3.597 -9.335 508 HA VAL 65 HA VAL 65 -7.906 2.178 -8.145 509 HB VAL 65 HB VAL 65 -7.480 5.156 -8.482 510 1HG1 VAL 65 1HG2 VAL 65 -9.944 3.594 -8.060 511 2HG1 VAL 65 2HG2 VAL 65 -9.724 5.208 -8.737 512 3HG1 VAL 65 3HG2 VAL 65 -9.724 4.977 -6.987 513 1HG2 VAL 65 1HG1 VAL 65 -8.122 3.905 -5.876 514 2HG2 VAL 65 2HG1 VAL 65 -7.104 5.297 -6.249 515 3HG2 VAL 65 3HG1 VAL 65 -6.498 3.662 -6.519 516 H GLN 66 H GLN 66 -9.461 1.528 -9.467 517 HA GLN 66 HA GLN 66 -9.368 2.161 -12.278 518 1HB GLN 66 2HB GLN 66 -11.197 0.417 -10.620 519 2HB GLN 66 1HB GLN 66 -11.396 0.637 -12.354 520 1HG GLN 66 2HG GLN 66 -8.811 -0.300 -11.181 521 2HG GLN 66 1HG GLN 66 -10.131 -1.415 -11.508 522 1HE2 GLN 66 1HE2 GLN 66 -10.725 0.544 -13.896 523 2HE2 GLN 66 2HE2 GLN 66 -9.650 -0.039 -15.106 524 H GLY 67 H GLY 67 -12.492 1.933 -10.670 525 1HA GLY 67 1HA GLY 67 -14.163 3.466 -10.301 526 2HA GLY 67 2HA GLY 67 -13.002 4.746 -10.616 527 H ASP 68 H ASP 68 -12.484 5.194 -12.858 528 HA ASP 68 HA ASP 68 -14.752 4.673 -14.655 529 1HB ASP 68 2HB ASP 68 -13.088 7.163 -14.313 530 2HB ASP 68 1HB ASP 68 -14.161 6.913 -15.685 531 H TYR 69 H TYR 69 -11.324 5.047 -14.344 532 HA TYR 69 HA TYR 69 -9.524 4.479 -15.593 533 1HB TYR 69 2HB TYR 69 -10.569 2.234 -15.404 534 2HB TYR 69 1HB TYR 69 -11.419 2.520 -16.916 535 HD1 TYR 69 HD1 TYR 69 -10.537 1.449 -18.744 536 HD2 TYR 69 HD2 TYR 69 -7.871 2.729 -15.682 537 HE1 TYR 69 HE1 TYR 69 -8.650 0.492 -19.994 538 HE2 TYR 69 HE2 TYR 69 -5.977 1.777 -16.928 539 HH TYR 69 HH TYR 69 -5.753 1.219 -19.796 540 H TYR 70 H TYR 70 -9.152 6.371 -16.683 541 HA TYR 70 HA TYR 70 -9.962 6.362 -19.494 542 1HB TYR 70 1HB TYR 70 -10.024 8.942 -19.304 543 2HB TYR 70 2HB TYR 70 -11.403 8.010 -18.744 544 HD1 TYR 70 HD1 TYR 70 -8.270 9.588 -17.412 545 HD2 TYR 70 HD2 TYR 70 -12.311 8.466 -16.688 546 HE1 TYR 70 HE1 TYR 70 -8.196 10.731 -15.236 547 HE2 TYR 70 HE2 TYR 70 -12.243 9.605 -14.512 548 HH TYR 70 HH TYR 70 -9.807 11.755 -13.637 549 H GLY 71 H GLY 71 -7.441 6.103 -17.505 550 1HA GLY 71 1HA GLY 71 -5.212 5.942 -18.237 551 2HA GLY 71 2HA GLY 71 -5.593 7.015 -19.571 552 H ASP 72 H ASP 72 -5.676 7.232 -16.001 553 HA ASP 72 HA ASP 72 -3.627 9.217 -15.911 554 1HB ASP 72 1HB ASP 72 -5.606 10.559 -16.729 555 2HB ASP 72 2HB ASP 72 -6.407 10.190 -15.206 556 H LEU 73 H LEU 73 -6.388 7.723 -14.302 557 HA LEU 73 HA LEU 73 -5.174 8.069 -11.691 558 1HB LEU 73 2HB LEU 73 -7.307 6.619 -11.067 559 2HB LEU 73 1HB LEU 73 -7.382 8.348 -11.317 560 HG LEU 73 HG LEU 73 -8.178 7.917 -13.656 561 1HD1 LEU 73 1HD2 LEU 73 -8.057 5.883 -14.530 562 2HD1 LEU 73 2HD2 LEU 73 -9.217 5.314 -13.328 563 3HD1 LEU 73 3HD2 LEU 73 -7.487 5.229 -12.994 564 1HD2 LEU 73 1HD1 LEU 73 -10.395 7.672 -13.013 565 2HD2 LEU 73 2HD1 LEU 73 -9.617 8.281 -11.553 566 3HD2 LEU 73 3HD1 LEU 73 -9.996 6.565 -11.699 567 H ALA 74 H ALA 74 -5.220 5.674 -14.132 568 HA ALA 74 HA ALA 74 -4.670 3.470 -12.325 569 1HB ALA 74 1HB ALA 74 -5.902 2.838 -14.230 570 2HB ALA 74 2HB ALA 74 -4.272 2.209 -14.481 571 3HB ALA 74 3HB ALA 74 -4.793 3.672 -15.320 572 H ALA 75 H ALA 75 -2.927 5.877 -14.028 573 HA ALA 75 HA ALA 75 -0.421 4.474 -14.169 574 1HB ALA 75 1HB ALA 75 0.465 6.440 -15.098 575 2HB ALA 75 2HB ALA 75 -0.761 7.456 -14.340 576 3HB ALA 75 3HB ALA 75 -1.202 6.390 -15.675 577 H ARG 76 H ARG 76 1.504 5.997 -13.214 578 HA ARG 76 HA ARG 76 2.753 6.085 -11.306 579 1HB ARG 76 2HB ARG 76 2.137 8.050 -9.874 580 2HB ARG 76 1HB ARG 76 2.260 8.387 -11.591 581 1HG ARG 76 2HG ARG 76 -0.095 8.551 -11.820 582 2HG ARG 76 1HG ARG 76 -0.363 7.895 -10.204 583 1HD ARG 76 2HD ARG 76 -0.696 10.294 -10.202 584 2HD ARG 76 1HD ARG 76 0.719 9.874 -9.238 585 HE ARG 76 HE ARG 76 1.559 10.459 -11.845 586 1HH1 ARG 76 1HH1 ARG 76 0.204 12.122 -9.070 587 2HH1 ARG 76 2HH1 ARG 76 0.939 13.636 -9.475 588 1HH2 ARG 76 1HH2 ARG 76 2.513 12.453 -12.359 589 2HH2 ARG 76 2HH2 ARG 76 2.244 13.824 -11.336 590 H LEU 77 H LEU 77 2.423 4.012 -10.467 591 HA LEU 77 HA LEU 77 0.359 3.242 -8.744 592 1HB LEU 77 2HB LEU 77 3.213 2.278 -8.929 593 2HB LEU 77 1HB LEU 77 1.989 1.501 -7.945 594 HG LEU 77 HG LEU 77 1.732 1.838 -10.937 595 1HD1 LEU 77 1HD1 LEU 77 3.058 0.094 -11.279 596 2HD1 LEU 77 2HD1 LEU 77 2.202 -0.859 -10.067 597 3HD1 LEU 77 3HD1 LEU 77 3.537 0.186 -9.584 598 1HD2 LEU 77 1HD2 LEU 77 -0.393 1.340 -10.342 599 2HD2 LEU 77 2HD2 LEU 77 0.093 0.637 -8.796 600 3HD2 LEU 77 3HD2 LEU 77 0.247 -0.305 -10.281 601 H GLY 78 H GLY 78 -0.153 3.814 -6.753 602 1HA GLY 78 1HA GLY 78 1.927 5.129 -5.108 603 2HA GLY 78 2HA GLY 78 0.234 5.595 -5.091 604 H TYR 79 H TYR 79 1.469 5.068 -2.743 605 HA TYR 79 HA TYR 79 0.634 2.357 -2.003 606 1HB TYR 79 2HB TYR 79 2.378 4.282 -0.444 607 2HB TYR 79 1HB TYR 79 2.042 2.605 -0.025 608 HD1 TYR 79 HD1 TYR 79 4.694 4.300 -0.737 609 HD2 TYR 79 HD2 TYR 79 2.404 1.311 -2.725 610 HE1 TYR 79 HE1 TYR 79 6.687 3.618 -2.004 611 HE2 TYR 79 HE2 TYR 79 4.386 0.625 -4.001 612 HH TYR 79 HH TYR 79 7.175 2.469 -4.194 613 H PHE 80 H PHE 80 -0.634 1.993 -0.169 614 HA PHE 80 HA PHE 80 -1.909 4.217 1.182 615 1HB PHE 80 2HB PHE 80 -4.212 3.408 0.595 616 2HB PHE 80 1HB PHE 80 -3.325 4.069 -0.775 617 HD1 PHE 80 HD1 PHE 80 -4.665 0.993 0.747 618 HD2 PHE 80 HD2 PHE 80 -2.697 2.680 -2.633 619 HE1 PHE 80 HE1 PHE 80 -5.096 -1.064 -0.528 620 HE2 PHE 80 HE2 PHE 80 -3.127 0.624 -3.910 621 HZ PHE 80 HZ PHE 80 -4.327 -1.252 -2.858 622 HA PRO 81 HA PRO 81 -1.928 1.192 4.470 623 1HB PRO 81 2HB PRO 81 -4.285 2.421 5.689 624 2HB PRO 81 1HB PRO 81 -2.618 2.395 6.268 625 1HG PRO 81 2HG PRO 81 -3.797 4.652 5.376 626 2HG PRO 81 1HG PRO 81 -2.063 4.339 5.166 627 1HD PRO 81 2HD PRO 81 -4.298 4.023 3.189 628 2HD PRO 81 1HD PRO 81 -2.679 4.721 2.957 629 H SER 82 H SER 82 -2.852 -0.758 4.922 630 HA SER 82 HA SER 82 -4.908 -1.747 3.250 631 1HB SER 82 2HB SER 82 -4.660 -3.829 4.490 632 2HB SER 82 1HB SER 82 -3.069 -3.128 4.211 633 HG SER 82 HG SER 82 -4.407 -3.562 6.568 634 H SER 83 H SER 83 -4.946 -0.177 6.303 635 HA SER 83 HA SER 83 -7.370 -1.177 7.347 636 1HB SER 83 2HB SER 83 -7.274 0.782 8.850 637 2HB SER 83 1HB SER 83 -5.732 -0.070 8.763 638 HG SER 83 HG SER 83 -5.868 2.385 8.519 639 H ILE 84 H ILE 84 -6.795 1.118 4.796 640 HA ILE 84 HA ILE 84 -9.449 2.286 5.144 641 HB ILE 84 HB ILE 84 -8.960 3.835 3.401 642 1HG1 ILE 84 1HG1 ILE 84 -6.248 2.581 3.011 643 2HG1 ILE 84 2HG1 ILE 84 -7.634 2.146 2.011 644 1HG2 ILE 84 1HG2 ILE 84 -7.265 5.087 4.446 645 2HG2 ILE 84 2HG2 ILE 84 -6.466 3.641 5.061 646 3HG2 ILE 84 3HG2 ILE 84 -8.025 4.135 5.721 647 1HD1 ILE 84 1HD1 ILE 84 -5.904 4.448 1.873 648 2HD1 ILE 84 2HD1 ILE 84 -7.607 4.900 1.961 649 3HD1 ILE 84 3HD1 ILE 84 -7.048 3.815 0.688 650 H VAL 85 H VAL 85 -8.282 -0.468 3.710 651 HA VAL 85 HA VAL 85 -10.515 -0.446 1.782 652 HB VAL 85 HB VAL 85 -9.248 -1.886 0.259 653 1HG1 VAL 85 1HG1 VAL 85 -7.834 -0.230 -0.689 654 2HG1 VAL 85 2HG1 VAL 85 -7.623 0.571 0.867 655 3HG1 VAL 85 3HG1 VAL 85 -9.192 0.609 0.061 656 1HG2 VAL 85 1HG2 VAL 85 -7.680 -3.106 1.386 657 2HG2 VAL 85 2HG2 VAL 85 -7.207 -1.753 2.417 658 3HG2 VAL 85 3HG2 VAL 85 -6.648 -1.824 0.746 659 H ARG 86 H ARG 86 -11.150 -2.682 1.090 660 HA ARG 86 HA ARG 86 -10.816 -4.693 3.188 661 1HB ARG 86 1HB ARG 86 -12.875 -3.433 3.725 662 2HB ARG 86 2HB ARG 86 -13.505 -3.793 2.125 663 1HG ARG 86 1HG ARG 86 -13.512 -6.180 2.663 664 2HG ARG 86 2HG ARG 86 -12.873 -5.818 4.267 665 1HD ARG 86 2HD ARG 86 -15.501 -4.816 3.178 666 2HD ARG 86 1HD ARG 86 -15.314 -6.192 4.264 667 HE ARG 86 HE ARG 86 -14.089 -3.970 5.440 668 1HH1 ARG 86 1HH1 ARG 86 -17.315 -5.062 4.601 669 2HH1 ARG 86 2HH1 ARG 86 -18.073 -4.165 5.873 670 1HH2 ARG 86 1HH2 ARG 86 -15.102 -2.802 7.102 671 2HH2 ARG 86 2HH2 ARG 86 -16.822 -2.886 7.287 672 H GLU 87 H GLU 87 -10.144 -6.479 2.234 673 HA GLU 87 HA GLU 87 -10.418 -6.910 -0.590 674 1HB GLU 87 1HB GLU 87 -9.041 -8.250 1.666 675 2HB GLU 87 2HB GLU 87 -9.459 -9.266 0.293 676 1HG GLU 87 2HG GLU 87 -8.262 -7.637 -1.170 677 2HG GLU 87 1HG GLU 87 -7.720 -6.817 0.294 678 H ASP 88 H ASP 88 -11.910 -8.058 -1.641 679 HA ASP 88 HA ASP 88 -13.732 -9.750 -0.063 680 1HB ASP 88 1HB ASP 88 -14.376 -7.906 -2.366 681 2HB ASP 88 2HB ASP 88 -15.483 -9.148 -1.793 682 H GLN 89 H GLN 89 -12.030 -9.299 -3.125 683 HA GLN 89 HA GLN 89 -12.280 -12.190 -3.601 684 1HB GLN 89 2HB GLN 89 -14.026 -10.629 -4.858 685 2HB GLN 89 1HB GLN 89 -12.674 -10.391 -5.953 686 1HG GLN 89 1HG GLN 89 -13.722 -13.108 -5.202 687 2HG GLN 89 2HG GLN 89 -14.319 -12.188 -6.580 688 1HE2 GLN 89 1HE2 GLN 89 -12.301 -14.585 -5.723 689 2HE2 GLN 89 2HE2 GLN 89 -11.146 -14.492 -7.007 690 H THR 90 H THR 90 -10.542 -13.125 -4.599 691 HA THR 90 HA THR 90 -8.208 -11.402 -5.102 692 HB THR 90 HB THR 90 -8.345 -14.391 -4.650 693 HG1 THR 90 HG1 THR 90 -8.763 -13.543 -2.717 694 1HG2 THR 90 1HG2 THR 90 -6.334 -13.710 -5.905 695 2HG2 THR 90 2HG2 THR 90 -5.973 -14.362 -4.306 696 3HG2 THR 90 3HG2 THR 90 -5.918 -12.621 -4.580 697 H LEU 91 H LEU 91 -7.536 -11.092 -7.142 698 HA LEU 91 HA LEU 91 -8.852 -12.513 -9.305 699 1HB LEU 91 1HB LEU 91 -6.738 -10.380 -9.558 700 2HB LEU 91 2HB LEU 91 -7.927 -10.858 -10.752 701 HG LEU 91 HG LEU 91 -8.596 -9.486 -8.142 702 1HD1 LEU 91 1HD2 LEU 91 -8.430 -8.314 -10.911 703 2HD1 LEU 91 2HD2 LEU 91 -7.261 -8.052 -9.617 704 3HD1 LEU 91 3HD2 LEU 91 -8.917 -7.472 -9.439 705 1HD2 LEU 91 1HD1 LEU 91 -10.741 -9.005 -9.421 706 2HD2 LEU 91 2HD1 LEU 91 -10.507 -10.653 -8.830 707 3HD2 LEU 91 3HD1 LEU 91 -10.229 -10.277 -10.532 708 H LYS 92 H LYS 92 -5.817 -12.497 -7.686 709 HA LYS 92 HA LYS 92 -4.924 -14.878 -8.948 710 1HB LYS 92 1HB LYS 92 -3.993 -12.381 -10.106 711 2HB LYS 92 2HB LYS 92 -2.653 -13.326 -9.460 712 1HG LYS 92 1HG LYS 92 -3.916 -15.282 -10.749 713 2HG LYS 92 2HG LYS 92 -4.487 -13.922 -11.715 714 1HD LYS 92 2HD LYS 92 -2.523 -14.758 -12.767 715 2HD LYS 92 1HD LYS 92 -2.087 -13.236 -12.006 716 1HE LYS 92 2HE LYS 92 -0.341 -14.843 -11.603 717 2HE LYS 92 1HE LYS 92 -1.175 -14.514 -10.085 718 1HZ LYS 92 1HZ LYS 92 -1.759 -16.852 -11.817 719 2HZ LYS 92 2HZ LYS 92 -2.350 -16.563 -10.259 720 3HZ LYS 92 3HZ LYS 92 -0.708 -16.898 -10.490 721 HA PRO 93 HA PRO 93 -3.069 -15.131 -4.888 722 1HB PRO 93 2HB PRO 93 -1.236 -17.085 -6.167 723 2HB PRO 93 1HB PRO 93 -2.264 -17.283 -4.756 724 1HG PRO 93 2HG PRO 93 -2.951 -18.435 -7.011 725 2HG PRO 93 1HG PRO 93 -4.190 -17.590 -6.055 726 1HD PRO 93 2HD PRO 93 -2.670 -16.618 -8.452 727 2HD PRO 93 1HD PRO 93 -4.418 -16.568 -8.157 728 H GLY 94 H GLY 94 -1.704 -13.705 -4.052 729 1HA GLY 94 1HA GLY 94 0.717 -12.950 -5.549 730 2HA GLY 94 2HA GLY 94 -0.030 -12.007 -4.263 731 H LYS 95 H LYS 95 2.012 -14.707 -5.030 732 HA LYS 95 HA LYS 95 3.039 -14.685 -2.293 733 1HB LYS 95 1HB LYS 95 3.258 -17.266 -2.612 734 2HB LYS 95 2HB LYS 95 1.734 -16.564 -2.086 735 1HG LYS 95 2HG LYS 95 0.959 -16.609 -4.438 736 2HG LYS 95 1HG LYS 95 2.448 -17.443 -4.871 737 1HD LYS 95 2HD LYS 95 0.807 -19.126 -4.646 738 2HD LYS 95 1HD LYS 95 1.789 -19.218 -3.185 739 1HE LYS 95 2HE LYS 95 -0.801 -17.685 -3.314 740 2HE LYS 95 1HE LYS 95 -0.739 -19.396 -2.908 741 1HZ LYS 95 1HZ LYS 95 -0.602 -18.547 -0.835 742 2HZ LYS 95 2HZ LYS 95 0.080 -17.083 -1.339 743 3HZ LYS 95 3HZ LYS 95 1.048 -18.464 -1.200 744 H VAL 96 H VAL 96 4.121 -13.500 -4.680 745 HA VAL 96 HA VAL 96 6.617 -15.058 -4.938 746 HB VAL 96 HB VAL 96 5.441 -13.199 -7.026 747 1HG1 VAL 96 1HG1 VAL 96 7.873 -14.986 -7.131 748 2HG1 VAL 96 2HG1 VAL 96 7.876 -13.223 -7.075 749 3HG1 VAL 96 3HG1 VAL 96 7.221 -14.058 -8.483 750 1HG2 VAL 96 1HG2 VAL 96 4.624 -14.991 -8.187 751 2HG2 VAL 96 2HG2 VAL 96 4.412 -15.583 -6.539 752 3HG2 VAL 96 3HG2 VAL 96 5.794 -16.115 -7.496 753 H ASP 97 H ASP 97 8.196 -14.111 -3.833 754 HA ASP 97 HA ASP 97 8.067 -11.352 -3.038 755 1HB ASP 97 2HB ASP 97 8.954 -13.203 -1.595 756 2HB ASP 97 1HB ASP 97 10.346 -13.307 -2.665 757 H VAL 98 H VAL 98 8.645 -9.733 -4.290 758 HA VAL 98 HA VAL 98 10.963 -10.036 -6.092 759 HB VAL 98 HB VAL 98 8.543 -8.303 -6.662 760 1HG1 VAL 98 1HG1 VAL 98 10.690 -7.566 -7.652 761 2HG1 VAL 98 2HG1 VAL 98 9.489 -8.018 -8.861 762 3HG1 VAL 98 3HG1 VAL 98 10.810 -9.121 -8.476 763 1HG2 VAL 98 1HG2 VAL 98 8.755 -11.106 -6.939 764 2HG2 VAL 98 2HG2 VAL 98 8.833 -10.412 -8.559 765 3HG2 VAL 98 3HG2 VAL 98 7.465 -10.045 -7.507 766 H LYS 99 H LYS 99 12.558 -8.611 -5.707 767 HA LYS 99 HA LYS 99 12.255 -6.590 -3.681 768 1HB LYS 99 1HB LYS 99 14.648 -6.113 -4.128 769 2HB LYS 99 2HB LYS 99 14.341 -7.815 -3.827 770 1HG LYS 99 2HG LYS 99 14.491 -8.311 -6.173 771 2HG LYS 99 1HG LYS 99 14.695 -6.602 -6.553 772 1HD LYS 99 2HD LYS 99 16.862 -7.562 -6.619 773 2HD LYS 99 1HD LYS 99 16.771 -6.660 -5.107 774 1HE LYS 99 2HE LYS 99 17.842 -8.806 -4.739 775 2HE LYS 99 1HE LYS 99 16.287 -8.755 -3.908 776 1HZ LYS 99 1HZ LYS 99 16.951 -10.821 -5.307 777 2HZ LYS 99 2HZ LYS 99 16.433 -9.885 -6.617 778 3HZ LYS 99 3HZ LYS 99 15.360 -10.247 -5.361 779 H THR 100 H THR 100 12.892 -4.305 -4.021 780 HA THR 100 HA THR 100 11.798 -3.309 -6.560 781 HB THR 100 HB THR 100 11.462 -1.177 -5.391 782 HG1 THR 100 HG1 THR 100 13.051 -2.405 -3.508 783 1HG2 THR 100 1HG2 THR 100 9.825 -1.843 -3.702 784 2HG2 THR 100 2HG2 THR 100 10.412 -3.503 -3.799 785 3HG2 THR 100 3HG2 THR 100 9.644 -2.756 -5.200 786 H ASP 101 H ASP 101 12.750 -1.289 -7.428 787 HA ASP 101 HA ASP 101 15.687 -1.364 -7.236 788 1HB ASP 101 2HB ASP 101 13.905 -0.485 -9.513 789 2HB ASP 101 1HB ASP 101 15.657 -0.334 -9.513 790 H LYS 102 H LYS 102 16.520 0.951 -8.196 791 HA LYS 102 HA LYS 102 15.783 2.833 -6.156 792 1HB LYS 102 2HB LYS 102 17.530 4.268 -7.118 793 2HB LYS 102 1HB LYS 102 18.117 2.639 -6.824 794 1HG LYS 102 1HG LYS 102 18.095 2.107 -9.128 795 2HG LYS 102 2HG LYS 102 17.159 3.547 -9.525 796 1HD LYS 102 2HD LYS 102 19.935 3.652 -8.360 797 2HD LYS 102 1HD LYS 102 19.614 3.645 -10.095 798 1HE LYS 102 2HE LYS 102 18.283 5.697 -9.849 799 2HE LYS 102 1HE LYS 102 18.618 5.702 -8.118 800 1HZ LYS 102 1HZ LYS 102 20.168 6.779 -10.179 801 2HZ LYS 102 2HZ LYS 102 21.053 5.514 -9.489 802 3HZ LYS 102 3HZ LYS 102 20.492 6.780 -8.518 803 H TRP 103 H TRP 103 14.888 2.301 -9.446 804 HA TRP 103 HA TRP 103 13.996 4.973 -9.989 805 1HB TRP 103 2HB TRP 103 13.339 2.396 -11.437 806 2HB TRP 103 1HB TRP 103 13.020 4.019 -12.034 807 HD1 TRP 103 HD1 TRP 103 15.884 1.546 -11.480 808 HE1 TRP 103 HE1 TRP 103 17.937 2.340 -12.812 809 HE3 TRP 103 HE3 TRP 103 14.145 6.105 -13.020 810 HZ2 TRP 103 HZ2 TRP 103 18.718 4.595 -14.311 811 HZ3 TRP 103 HZ3 TRP 103 15.611 7.518 -14.402 812 HH2 TRP 103 HH2 TRP 103 17.850 6.777 -15.034 813 H ASP 104 H ASP 104 12.722 2.384 -8.223 814 HA ASP 104 HA ASP 104 9.936 2.971 -8.667 815 1HB ASP 104 2HB ASP 104 11.339 1.192 -6.664 816 2HB ASP 104 1HB ASP 104 9.590 1.334 -6.788 817 H PHE 105 H PHE 105 12.428 3.974 -6.461 818 HA PHE 105 HA PHE 105 10.438 5.527 -4.939 819 1HB PHE 105 2HB PHE 105 13.052 4.339 -3.979 820 2HB PHE 105 1HB PHE 105 12.100 5.485 -3.046 821 HD1 PHE 105 HD1 PHE 105 12.017 2.089 -4.549 822 HD2 PHE 105 HD2 PHE 105 10.309 4.772 -1.721 823 HE1 PHE 105 HE1 PHE 105 10.715 0.240 -3.586 824 HE2 PHE 105 HE2 PHE 105 9.005 2.923 -0.754 825 HZ PHE 105 HZ PHE 105 9.209 0.656 -1.685 826 H TYR 106 H TYR 106 11.413 6.547 -7.301 827 HA TYR 106 HA TYR 106 12.781 8.945 -6.358 828 1HB TYR 106 2HB TYR 106 14.588 7.344 -7.079 829 2HB TYR 106 1HB TYR 106 13.894 7.347 -8.691 830 HD1 TYR 106 HD1 TYR 106 15.648 8.260 -9.961 831 HD2 TYR 106 HD2 TYR 106 14.371 10.285 -6.441 832 HE1 TYR 106 HE1 TYR 106 17.068 10.182 -10.548 833 HE2 TYR 106 HE2 TYR 106 15.783 12.197 -7.002 834 HH TYR 106 HH TYR 106 16.821 13.198 -8.995 835 H CYS 107 H CYS 107 11.535 10.531 -7.051 836 HA CYS 107 HA CYS 107 10.377 10.383 -9.757 837 1HB CYS 107 2HB CYS 107 8.485 11.789 -8.829 838 2HB CYS 107 1HB CYS 107 8.537 10.129 -8.259 839 H GLN 108 HN GLN 108 10.513 12.191 -11.024 840 HA GLN 108 HA GLN 108 11.843 14.542 -9.867 841 1HB GLN 108 1HB GLN 108 12.368 13.201 -12.521 842 2HB GLN 108 2HB GLN 108 12.971 14.791 -12.097 843 1HG GLN 108 2HG GLN 108 14.193 13.798 -10.202 844 2HG GLN 108 1HG GLN 108 13.634 12.206 -10.712 845 1HE2 GLN 108 1HE2 GLN 108 16.175 14.236 -10.799 846 2HE2 GLN 108 2HE2 GLN 108 16.963 13.680 -12.234 Start of MODEL 6 1 1H MET 1 1HT MET 1 7.707 15.419 -4.598 2 2H MET 1 2HT MET 1 7.360 13.765 -4.617 3 3H MET 1 3HT MET 1 6.246 14.868 -5.250 4 HA MET 1 HA MET 1 7.524 13.648 -6.963 5 1HB MET 1 2HB MET 1 6.441 15.833 -7.362 6 2HB MET 1 1HB MET 1 7.898 16.651 -6.821 7 1HG MET 1 1HG MET 1 9.138 15.678 -8.698 8 2HG MET 1 2HG MET 1 7.665 14.878 -9.244 9 1HE MET 1 1HE MET 1 8.296 17.740 -11.890 10 2HE MET 1 2HE MET 1 7.916 16.027 -11.709 11 3HE MET 1 3HE MET 1 9.438 16.664 -11.086 12 H GLY 2 H GLY 2 9.385 12.622 -7.216 13 1HA GLY 2 2HA GLY 2 11.827 13.278 -7.738 14 2HA GLY 2 1HA GLY 2 11.831 13.793 -6.061 15 HA PRO 3 HA PRO 3 12.932 9.234 -6.322 16 1HB PRO 3 2HB PRO 3 15.638 9.595 -5.638 17 2HB PRO 3 1HB PRO 3 14.994 9.172 -7.220 18 1HG PRO 3 1HG PRO 3 16.260 11.582 -6.477 19 2HG PRO 3 2HG PRO 3 15.490 11.200 -8.022 20 1HD PRO 3 1HD PRO 3 14.500 12.827 -5.794 21 2HD PRO 3 2HD PRO 3 14.004 12.811 -7.492 22 H MET 4 H MET 4 12.009 8.565 -4.497 23 HA MET 4 HA MET 4 13.430 8.992 -1.983 24 1HB MET 4 2HB MET 4 11.182 9.346 -0.843 25 2HB MET 4 1HB MET 4 11.818 10.697 -1.779 26 1HG MET 4 1HG MET 4 10.363 10.091 -3.654 27 2HG MET 4 2HG MET 4 9.707 8.757 -2.707 28 1HE MET 4 1HE MET 4 9.103 9.663 0.089 29 2HE MET 4 2HE MET 4 7.889 8.938 -0.969 30 3HE MET 4 3HE MET 4 7.511 10.409 -0.067 31 HA PRO 5 HA PRO 5 12.305 4.702 -1.477 32 1HB PRO 5 1HB PRO 5 13.217 4.252 0.969 33 2HB PRO 5 2HB PRO 5 14.324 4.758 -0.312 34 1HG PRO 5 2HG PRO 5 13.124 6.378 1.899 35 2HG PRO 5 1HG PRO 5 14.780 6.400 1.269 36 1HD PRO 5 1HD PRO 5 12.756 8.185 0.552 37 2HD PRO 5 2HD PRO 5 14.243 7.885 -0.370 38 H LYS 6 H LYS 6 11.084 3.190 -0.103 39 HA LYS 6 HA LYS 6 8.665 4.432 0.948 40 1HB LYS 6 1HB LYS 6 9.387 1.629 0.144 41 2HB LYS 6 2HB LYS 6 7.979 1.927 1.152 42 1HG LYS 6 1HG LYS 6 7.683 3.731 -0.906 43 2HG LYS 6 2HG LYS 6 8.347 2.301 -1.688 44 1HD LYS 6 2HD LYS 6 6.019 2.038 -1.782 45 2HD LYS 6 1HD LYS 6 6.572 0.971 -0.494 46 1HE LYS 6 1HE LYS 6 6.016 2.820 1.122 47 2HE LYS 6 2HE LYS 6 5.237 3.653 -0.220 48 1HZ LYS 6 1HZ LYS 6 4.084 1.274 -0.401 49 2HZ LYS 6 2HZ LYS 6 3.453 2.536 0.531 50 3HZ LYS 6 3HZ LYS 6 4.365 1.317 1.267 51 H LEU 7 H LEU 7 7.912 2.342 2.698 52 HA LEU 7 HA LEU 7 9.518 3.039 5.025 53 1HB LEU 7 2HB LEU 7 7.024 1.351 5.083 54 2HB LEU 7 1HB LEU 7 7.702 2.327 6.363 55 HG LEU 7 HG LEU 7 5.719 3.413 5.743 56 1HD1 LEU 7 1HD1 LEU 7 7.092 5.206 6.008 57 2HD1 LEU 7 2HD1 LEU 7 6.549 5.478 4.350 58 3HD1 LEU 7 3HD1 LEU 7 8.133 4.759 4.656 59 1HD2 LEU 7 1HD2 LEU 7 5.080 3.971 3.450 60 2HD2 LEU 7 2HD2 LEU 7 5.248 2.234 3.692 61 3HD2 LEU 7 3HD2 LEU 7 6.513 3.132 2.851 62 H ALA 8 H ALA 8 8.895 0.467 2.839 63 HA ALA 8 HA ALA 8 10.378 -1.460 4.514 64 1HB ALA 8 1HB ALA 8 9.184 -3.221 3.438 65 2HB ALA 8 2HB ALA 8 8.501 -2.110 2.247 66 3HB ALA 8 3HB ALA 8 7.996 -2.016 3.936 67 H ASP 9 H ASP 9 10.920 -3.340 2.465 68 HA ASP 9 HA ASP 9 12.478 -1.882 0.476 69 1HB ASP 9 2HB ASP 9 14.456 -3.361 0.938 70 2HB ASP 9 1HB ASP 9 14.099 -2.180 2.187 71 H ARG 10 H ARG 10 10.691 -4.694 1.376 72 HA ARG 10 HA ARG 10 10.997 -5.725 -1.370 73 1HB ARG 10 2HB ARG 10 11.253 -7.210 1.177 74 2HB ARG 10 1HB ARG 10 10.395 -8.020 -0.119 75 1HG ARG 10 1HG ARG 10 12.493 -8.764 -0.521 76 2HG ARG 10 2HG ARG 10 12.551 -7.275 -1.463 77 1HD ARG 10 1HD ARG 10 14.539 -7.464 -0.119 78 2HD ARG 10 2HD ARG 10 13.563 -6.120 0.456 79 HE ARG 10 HE ARG 10 13.379 -7.184 2.463 80 1HH1 ARG 10 1HH1 ARG 10 14.343 -9.597 0.098 81 2HH1 ARG 10 2HH1 ARG 10 14.502 -10.853 1.279 82 1HH2 ARG 10 1HH2 ARG 10 13.597 -8.846 3.989 83 2HH2 ARG 10 2HH2 ARG 10 14.080 -10.429 3.478 84 H LYS 11 H LYS 11 9.168 -6.684 -2.310 85 HA LYS 11 HA LYS 11 6.621 -6.256 -0.897 86 1HB LYS 11 2HB LYS 11 5.638 -5.509 -3.034 87 2HB LYS 11 1HB LYS 11 6.939 -4.454 -2.503 88 1HG LYS 11 1HG LYS 11 8.443 -5.805 -4.053 89 2HG LYS 11 2HG LYS 11 6.953 -6.453 -4.737 90 1HD LYS 11 2HD LYS 11 6.217 -4.224 -5.322 91 2HD LYS 11 1HD LYS 11 7.641 -3.529 -4.548 92 1HE LYS 11 2HE LYS 11 8.022 -3.579 -6.915 93 2HE LYS 11 1HE LYS 11 9.059 -4.787 -6.157 94 1HZ LYS 11 1HZ LYS 11 6.504 -5.305 -7.577 95 2HZ LYS 11 2HZ LYS 11 7.418 -6.482 -6.775 96 3HZ LYS 11 3HZ LYS 11 8.059 -5.690 -8.125 97 H LEU 12 H LEU 12 4.783 -7.341 -2.168 98 HA LEU 12 HA LEU 12 5.627 -9.969 -3.182 99 1HB LEU 12 2HB LEU 12 3.396 -9.357 -1.241 100 2HB LEU 12 1HB LEU 12 3.544 -10.884 -2.084 101 HG LEU 12 HG LEU 12 5.678 -9.806 -0.242 102 1HD1 LEU 12 1HD1 LEU 12 4.532 -11.923 1.049 103 2HD1 LEU 12 2HD1 LEU 12 3.131 -11.116 0.345 104 3HD1 LEU 12 3HD1 LEU 12 4.221 -10.225 1.406 105 1HD2 LEU 12 1HD2 LEU 12 6.471 -11.452 -1.848 106 2HD2 LEU 12 2HD2 LEU 12 5.170 -12.552 -1.389 107 3HD2 LEU 12 3HD2 LEU 12 6.432 -12.145 -0.226 108 H CYS 13 H CYS 13 4.942 -10.266 -5.184 109 HA CYS 13 HA CYS 13 2.446 -8.969 -6.057 110 1HB CYS 13 2HB CYS 13 4.955 -9.449 -7.683 111 2HB CYS 13 1HB CYS 13 3.460 -8.754 -8.299 112 H ALA 14 H ALA 14 1.679 -10.064 -8.208 113 HA ALA 14 HA ALA 14 1.186 -12.826 -7.579 114 1HB ALA 14 1HB ALA 14 0.232 -10.961 -9.717 115 2HB ALA 14 2HB ALA 14 -0.686 -11.749 -8.434 116 3HB ALA 14 3HB ALA 14 -0.104 -12.690 -9.808 117 H ASP 15 H ASP 15 3.184 -11.053 -9.825 118 HA ASP 15 HA ASP 15 4.542 -13.519 -10.555 119 1HB ASP 15 1HB ASP 15 4.567 -12.885 -12.980 120 2HB ASP 15 2HB ASP 15 2.988 -13.362 -12.373 121 H GLN 16 H GLN 16 6.511 -12.930 -12.021 122 HA GLN 16 HA GLN 16 8.210 -11.268 -10.511 123 1HB GLN 16 2HB GLN 16 8.884 -13.258 -11.880 124 2HB GLN 16 1HB GLN 16 8.673 -12.276 -13.321 125 1HG GLN 16 2HG GLN 16 10.420 -10.754 -12.541 126 2HG GLN 16 1HG GLN 16 10.629 -11.741 -11.095 127 1HE2 GLN 16 1HE2 GLN 16 11.885 -11.096 -14.031 128 2HE2 GLN 16 2HE2 GLN 16 12.697 -12.587 -14.349 129 H GLU 17 H GLU 17 6.073 -10.530 -13.107 130 HA GLU 17 HA GLU 17 7.453 -8.078 -13.857 131 1HB GLU 17 2HB GLU 17 4.741 -9.104 -14.728 132 2HB GLU 17 1HB GLU 17 5.616 -7.760 -15.444 133 1HG GLU 17 1HG GLU 17 7.389 -9.328 -16.129 134 2HG GLU 17 2HG GLU 17 6.424 -10.652 -15.483 135 H CYS 18 H CYS 18 4.978 -9.153 -11.726 136 HA CYS 18 HA CYS 18 3.549 -8.160 -10.280 137 1HB CYS 18 1HB CYS 18 5.777 -7.084 -9.591 138 2HB CYS 18 2HB CYS 18 5.229 -5.656 -10.465 139 H SER 19 H SER 19 3.160 -7.983 -13.123 140 HA SER 19 HA SER 19 1.789 -5.466 -13.578 141 1HB SER 19 2HB SER 19 3.146 -6.162 -15.389 142 2HB SER 19 1HB SER 19 2.501 -7.795 -15.334 143 HG SER 19 HG SER 19 1.692 -6.147 -16.982 144 H HIS 20 H HIS 20 1.094 -8.488 -12.340 145 HA HIS 20 HA HIS 20 -1.688 -8.521 -13.231 146 1HB HIS 20 2HB HIS 20 0.160 -10.493 -11.993 147 2HB HIS 20 1HB HIS 20 -1.546 -10.655 -11.615 148 HD1 HIS 20 HD1 HIS 20 -0.973 -12.999 -12.890 149 HD2 HIS 20 HD2 HIS 20 -1.262 -9.593 -15.249 150 HE1 HIS 20 HE1 HIS 20 -1.428 -13.834 -15.205 151 HE2 HIS 20 HE2 HIS 20 -1.466 -11.763 -16.648 152 HA PRO 21 HA PRO 21 -2.984 -6.925 -9.250 153 1HB PRO 21 1HB PRO 21 -5.679 -7.261 -9.570 154 2HB PRO 21 2HB PRO 21 -4.752 -5.972 -10.343 155 1HG PRO 21 1HG PRO 21 -6.028 -8.281 -11.551 156 2HG PRO 21 2HG PRO 21 -5.301 -6.874 -12.339 157 1HD PRO 21 1HD PRO 21 -4.188 -9.546 -11.935 158 2HD PRO 21 2HD PRO 21 -3.609 -8.229 -12.979 159 H ILE 22 H ILE 22 -2.732 -7.987 -7.381 160 HA ILE 22 HA ILE 22 -3.223 -10.747 -7.069 161 HB ILE 22 HB ILE 22 -2.847 -8.711 -4.861 162 1HG1 ILE 22 2HG1 ILE 22 -0.739 -10.457 -6.156 163 2HG1 ILE 22 1HG1 ILE 22 -1.032 -8.786 -6.637 164 1HG2 ILE 22 1HG2 ILE 22 -1.840 -11.415 -4.429 165 2HG2 ILE 22 2HG2 ILE 22 -3.587 -11.371 -4.668 166 3HG2 ILE 22 3HG2 ILE 22 -2.846 -10.404 -3.391 167 1HD1 ILE 22 1HD1 ILE 22 0.076 -9.833 -4.065 168 2HD1 ILE 22 2HD1 ILE 22 -0.625 -8.219 -4.171 169 3HD1 ILE 22 3HD1 ILE 22 0.760 -8.645 -5.175 170 H SER 23 H SER 23 -4.815 -8.067 -5.288 171 HA SER 23 HA SER 23 -7.328 -9.569 -5.482 172 1HB SER 23 2HB SER 23 -6.192 -8.466 -2.904 173 2HB SER 23 1HB SER 23 -7.789 -9.189 -3.088 174 HG SER 23 HG SER 23 -5.299 -10.385 -2.961 175 H MET 24 H MET 24 -9.143 -8.392 -5.571 176 HA MET 24 HA MET 24 -8.883 -5.523 -5.993 177 1HB MET 24 1HB MET 24 -10.097 -6.987 -7.615 178 2HB MET 24 2HB MET 24 -11.278 -7.332 -6.360 179 1HG MET 24 2HG MET 24 -10.772 -4.489 -6.983 180 2HG MET 24 1HG MET 24 -11.613 -5.446 -8.194 181 1HE MET 24 1HE MET 24 -13.570 -6.763 -7.870 182 2HE MET 24 2HE MET 24 -14.928 -6.292 -6.847 183 3HE MET 24 3HE MET 24 -13.714 -7.420 -6.239 184 H ALA 25 H ALA 25 -9.116 -4.237 -4.267 185 HA ALA 25 HA ALA 25 -10.927 -5.111 -2.111 186 1HB ALA 25 1HB ALA 25 -8.970 -5.042 -0.982 187 2HB ALA 25 2HB ALA 25 -9.394 -3.335 -0.839 188 3HB ALA 25 3HB ALA 25 -8.251 -3.859 -2.076 189 H VAL 26 H VAL 26 -12.313 -3.687 -1.161 190 HA VAL 26 HA VAL 26 -12.970 -1.306 -2.748 191 HB VAL 26 HB VAL 26 -14.573 -2.579 -0.511 192 1HG1 VAL 26 1HG2 VAL 26 -16.467 -1.350 -1.616 193 2HG1 VAL 26 2HG2 VAL 26 -15.261 -0.497 -2.580 194 3HG1 VAL 26 3HG2 VAL 26 -15.272 -0.322 -0.825 195 1HG2 VAL 26 1HG1 VAL 26 -15.888 -3.684 -2.184 196 2HG2 VAL 26 2HG1 VAL 26 -14.194 -4.099 -2.450 197 3HG2 VAL 26 3HG1 VAL 26 -14.982 -2.904 -3.481 198 H ALA 27 H ALA 27 -13.014 0.770 -1.913 199 HA ALA 27 HA ALA 27 -11.430 1.238 0.472 200 1HB ALA 27 1HB ALA 27 -11.161 2.544 -1.655 201 2HB ALA 27 2HB ALA 27 -11.353 3.516 -0.195 202 3HB ALA 27 3HB ALA 27 -12.713 3.306 -1.300 203 H LEU 28 H LEU 28 -12.124 1.969 2.398 204 HA LEU 28 HA LEU 28 -15.018 2.145 2.806 205 1HB LEU 28 2HB LEU 28 -12.708 1.508 4.600 206 2HB LEU 28 1HB LEU 28 -14.214 2.068 5.295 207 HG LEU 28 HG LEU 28 -14.112 -0.335 5.420 208 1HD1 LEU 28 1HD1 LEU 28 -16.038 -0.192 3.214 209 2HD1 LEU 28 2HD1 LEU 28 -16.241 1.039 4.461 210 3HD1 LEU 28 3HD1 LEU 28 -16.264 -0.670 4.898 211 1HD2 LEU 28 1HD2 LEU 28 -12.728 -0.230 3.055 212 2HD2 LEU 28 2HD2 LEU 28 -14.272 -0.944 2.587 213 3HD2 LEU 28 3HD2 LEU 28 -13.306 -1.690 3.859 214 H GLN 29 H GLN 29 -12.234 4.180 2.757 215 HA GLN 29 HA GLN 29 -13.895 6.429 3.547 216 1HB GLN 29 1HB GLN 29 -12.182 7.268 5.172 217 2HB GLN 29 2HB GLN 29 -13.059 5.839 5.697 218 1HG GLN 29 2HG GLN 29 -11.176 4.431 5.148 219 2HG GLN 29 1HG GLN 29 -10.301 5.809 4.490 220 1HE2 GLN 29 1HE2 GLN 29 -11.750 7.196 7.017 221 2HE2 GLN 29 2HE2 GLN 29 -10.592 6.894 8.254 222 H ASP 30 H ASP 30 -12.377 8.504 3.601 223 HA ASP 30 HA ASP 30 -11.235 8.666 0.939 224 1HB ASP 30 1HB ASP 30 -11.734 10.796 3.030 225 2HB ASP 30 2HB ASP 30 -11.156 11.105 1.396 226 H TYR 31 H TYR 31 -9.179 9.592 0.496 227 HA TYR 31 HA TYR 31 -7.244 9.843 2.639 228 1HB TYR 31 2HB TYR 31 -7.344 7.369 1.857 229 2HB TYR 31 1HB TYR 31 -6.582 7.957 0.385 230 HD1 TYR 31 HD1 TYR 31 -4.260 8.238 0.282 231 HD2 TYR 31 HD2 TYR 31 -6.132 7.836 4.083 232 HE1 TYR 31 HE1 TYR 31 -2.050 8.098 1.348 233 HE2 TYR 31 HE2 TYR 31 -3.927 7.694 5.159 234 HH TYR 31 HH TYR 31 -1.390 8.664 4.292 235 H MET 32 H MET 32 -5.867 11.455 2.190 236 HA MET 32 HA MET 32 -5.744 12.443 -0.580 237 1HB MET 32 2HB MET 32 -5.244 13.870 2.039 238 2HB MET 32 1HB MET 32 -4.959 14.583 0.457 239 1HG MET 32 2HG MET 32 -7.292 14.375 -0.094 240 2HG MET 32 1HG MET 32 -7.615 13.591 1.450 241 1HE MET 32 1HE MET 32 -9.575 15.958 2.281 242 2HE MET 32 2HE MET 32 -9.329 15.489 0.599 243 3HE MET 32 3HE MET 32 -9.191 17.182 1.071 244 H ALA 33 H ALA 33 -3.905 12.317 -1.678 245 HA ALA 33 HA ALA 33 -1.527 11.298 -0.313 246 1HB ALA 33 1HB ALA 33 -0.733 10.960 -2.692 247 2HB ALA 33 2HB ALA 33 -2.361 11.418 -3.189 248 3HB ALA 33 3HB ALA 33 -2.117 10.001 -2.170 249 HA PRO 34 HA PRO 34 0.291 15.414 -0.771 250 1HB PRO 34 2HB PRO 34 2.578 14.528 0.722 251 2HB PRO 34 1HB PRO 34 1.268 15.580 1.258 252 1HG PRO 34 2HG PRO 34 1.719 13.052 2.229 253 2HG PRO 34 1HG PRO 34 0.147 13.873 2.270 254 1HD PRO 34 2HD PRO 34 1.159 11.801 0.358 255 2HD PRO 34 1HD PRO 34 -0.454 11.977 1.083 256 H ASP 35 H ASP 35 2.746 12.815 -0.634 257 HA ASP 35 HA ASP 35 4.090 13.970 -2.949 258 1HB ASP 35 2HB ASP 35 5.891 12.297 -2.387 259 2HB ASP 35 1HB ASP 35 5.562 13.489 -1.136 260 H CYS 36 H CYS 36 5.098 12.335 -4.515 261 HA CYS 36 HA CYS 36 3.025 11.041 -5.912 262 1HB CYS 36 1HB CYS 36 5.098 12.020 -6.914 263 2HB CYS 36 2HB CYS 36 5.996 10.642 -6.289 264 H ARG 37 H ARG 37 4.867 9.855 -3.261 265 HA ARG 37 HA ARG 37 4.834 7.112 -4.062 266 1HB ARG 37 2HB ARG 37 6.589 7.835 -2.593 267 2HB ARG 37 1HB ARG 37 5.434 8.460 -1.426 268 1HG ARG 37 2HG ARG 37 4.782 6.324 -0.767 269 2HG ARG 37 1HG ARG 37 5.560 5.554 -2.147 270 1HD ARG 37 2HD ARG 37 6.924 5.126 -0.253 271 2HD ARG 37 1HD ARG 37 7.753 6.341 -1.223 272 HE ARG 37 HE ARG 37 7.620 7.758 0.539 273 1HH1 ARG 37 1HH1 ARG 37 5.185 5.286 1.040 274 2HH1 ARG 37 2HH1 ARG 37 4.761 5.866 2.614 275 1HH2 ARG 37 1HH2 ARG 37 7.059 8.495 2.603 276 2HH2 ARG 37 2HH2 ARG 37 5.820 7.681 3.499 277 H PHE 38 H PHE 38 2.650 9.236 -2.301 278 HA PHE 38 HA PHE 38 1.025 6.924 -1.525 279 1HB PHE 38 2HB PHE 38 0.865 9.845 -0.802 280 2HB PHE 38 1HB PHE 38 -0.438 8.722 -0.431 281 HD1 PHE 38 HD1 PHE 38 2.951 9.788 0.425 282 HD2 PHE 38 HD2 PHE 38 -0.122 6.955 1.226 283 HE1 PHE 38 HE1 PHE 38 4.081 9.153 2.508 284 HE2 PHE 38 HE2 PHE 38 1.008 6.316 3.312 285 HZ PHE 38 HZ PHE 38 3.112 7.417 3.957 286 H LEU 39 H LEU 39 -1.297 6.923 -1.957 287 HA LEU 39 HA LEU 39 -1.946 8.137 -4.571 288 1HB LEU 39 1HB LEU 39 -1.631 5.723 -4.746 289 2HB LEU 39 2HB LEU 39 -2.765 5.453 -3.441 290 HG LEU 39 HG LEU 39 -4.570 6.412 -4.917 291 1HD1 LEU 39 1HD2 LEU 39 -2.283 6.863 -6.646 292 2HD1 LEU 39 2HD2 LEU 39 -3.919 7.517 -6.740 293 3HD1 LEU 39 3HD2 LEU 39 -3.558 5.943 -7.447 294 1HD2 LEU 39 1HD1 LEU 39 -5.018 4.273 -5.269 295 2HD2 LEU 39 2HD1 LEU 39 -3.334 3.864 -4.939 296 3HD2 LEU 39 3HD1 LEU 39 -3.844 4.234 -6.586 297 H THR 40 H THR 40 -3.909 9.141 -4.814 298 HA THR 40 HA THR 40 -5.415 9.685 -2.379 299 HB THR 40 HB THR 40 -5.690 10.844 -5.170 300 HG1 THR 40 HG1 THR 40 -4.587 12.585 -4.328 301 1HG2 THR 40 1HG2 THR 40 -7.769 11.046 -3.823 302 2HG2 THR 40 2HG2 THR 40 -7.026 12.590 -4.240 303 3HG2 THR 40 3HG2 THR 40 -6.843 11.934 -2.613 304 H ILE 41 H ILE 41 -7.157 8.574 -1.846 305 HA ILE 41 HA ILE 41 -8.738 7.259 -3.971 306 HB ILE 41 HB ILE 41 -8.111 6.095 -1.239 307 1HG1 ILE 41 2HG1 ILE 41 -7.171 5.125 -3.954 308 2HG1 ILE 41 1HG1 ILE 41 -6.194 6.130 -2.891 309 1HG2 ILE 41 1HG2 ILE 41 -10.308 5.421 -2.020 310 2HG2 ILE 41 2HG2 ILE 41 -9.196 4.057 -2.126 311 3HG2 ILE 41 3HG2 ILE 41 -9.640 4.947 -3.581 312 1HD1 ILE 41 1HD1 ILE 41 -6.470 4.300 -1.155 313 2HD1 ILE 41 2HD1 ILE 41 -5.448 3.942 -2.546 314 3HD1 ILE 41 3HD1 ILE 41 -7.089 3.301 -2.471 315 H HIS 42 H HIS 42 -10.952 7.307 -3.759 316 HA HIS 42 HA HIS 42 -12.012 8.970 -1.581 317 1HB HIS 42 2HB HIS 42 -13.118 8.350 -4.326 318 2HB HIS 42 1HB HIS 42 -14.042 9.180 -3.084 319 HD1 HIS 42 HD1 HIS 42 -13.858 10.813 -5.433 320 HD2 HIS 42 HD2 HIS 42 -10.694 10.739 -2.739 321 HE1 HIS 42 HE1 HIS 42 -12.573 12.933 -5.844 322 HE2 HIS 42 HE2 HIS 42 -10.732 12.919 -4.126 323 H ARG 43 H ARG 43 -14.002 8.385 -0.587 324 HA ARG 43 HA ARG 43 -14.123 5.703 0.247 325 1HB ARG 43 2HB ARG 43 -14.836 7.649 1.606 326 2HB ARG 43 1HB ARG 43 -16.215 7.869 0.540 327 1HG ARG 43 1HG ARG 43 -17.066 5.668 1.201 328 2HG ARG 43 2HG ARG 43 -15.686 5.468 2.282 329 1HD ARG 43 2HD ARG 43 -17.625 6.195 3.538 330 2HD ARG 43 1HD ARG 43 -16.395 7.456 3.537 331 HE ARG 43 HE ARG 43 -17.876 8.830 2.485 332 1HH1 ARG 43 1HH1 ARG 43 -19.017 5.539 2.029 333 2HH1 ARG 43 2HH1 ARG 43 -20.468 6.036 1.227 334 1HH2 ARG 43 1HH2 ARG 43 -19.784 9.453 1.434 335 2HH2 ARG 43 2HH2 ARG 43 -20.902 8.247 0.890 336 H GLY 44 H GLY 44 -15.010 3.976 -0.673 337 1HA GLY 44 2HA GLY 44 -16.828 2.784 -1.601 338 2HA GLY 44 1HA GLY 44 -17.449 4.284 -2.264 339 H GLN 45 H GLN 45 -14.276 4.408 -3.057 340 HA GLN 45 HA GLN 45 -14.836 3.577 -5.764 341 1HB GLN 45 1HB GLN 45 -12.417 4.813 -4.469 342 2HB GLN 45 2HB GLN 45 -12.419 4.291 -6.146 343 1HG GLN 45 1HG GLN 45 -14.457 5.787 -6.439 344 2HG GLN 45 2HG GLN 45 -14.037 6.466 -4.868 345 1HE2 GLN 45 1HE2 GLN 45 -13.799 7.025 -8.030 346 2HE2 GLN 45 2HE2 GLN 45 -12.323 7.919 -8.091 347 H VAL 46 H VAL 46 -13.634 2.105 -6.990 348 HA VAL 46 HA VAL 46 -12.823 -0.277 -5.516 349 HB VAL 46 HB VAL 46 -12.967 0.083 -8.517 350 1HG1 VAL 46 1HG1 VAL 46 -12.826 -2.299 -6.705 351 2HG1 VAL 46 2HG1 VAL 46 -11.791 -1.880 -8.069 352 3HG1 VAL 46 3HG1 VAL 46 -13.444 -2.424 -8.352 353 1HG2 VAL 46 1HG2 VAL 46 -15.128 0.156 -6.685 354 2HG2 VAL 46 2HG2 VAL 46 -15.203 -1.378 -7.552 355 3HG2 VAL 46 3HG2 VAL 46 -15.179 0.142 -8.447 356 H VAL 47 H VAL 47 -10.727 -0.800 -5.173 357 HA VAL 47 HA VAL 47 -8.681 0.455 -6.888 358 HB VAL 47 HB VAL 47 -8.229 -0.079 -3.953 359 1HG1 VAL 47 1HG1 VAL 47 -6.368 0.250 -5.773 360 2HG1 VAL 47 2HG1 VAL 47 -6.223 1.006 -4.186 361 3HG1 VAL 47 3HG1 VAL 47 -6.769 1.956 -5.568 362 1HG2 VAL 47 1HG2 VAL 47 -8.344 2.642 -4.143 363 2HG2 VAL 47 2HG2 VAL 47 -9.635 1.614 -3.522 364 3HG2 VAL 47 3HG2 VAL 47 -9.663 2.146 -5.203 365 H TYR 48 H TYR 48 -7.262 -0.900 -7.772 366 HA TYR 48 HA TYR 48 -7.339 -3.714 -6.993 367 1HB TYR 48 2HB TYR 48 -6.250 -2.319 -9.444 368 2HB TYR 48 1HB TYR 48 -5.969 -4.019 -9.120 369 HD1 TYR 48 HD1 TYR 48 -7.239 -5.399 -10.421 370 HD2 TYR 48 HD2 TYR 48 -9.001 -1.770 -9.066 371 HE1 TYR 48 HE1 TYR 48 -9.325 -5.982 -11.578 372 HE2 TYR 48 HE2 TYR 48 -11.091 -2.351 -10.216 373 HH TYR 48 HH TYR 48 -11.864 -5.333 -11.236 374 H VAL 49 H VAL 49 -5.763 -4.650 -5.869 375 HA VAL 49 HA VAL 49 -3.372 -3.113 -5.210 376 HB VAL 49 HB VAL 49 -4.201 -5.825 -4.146 377 1HG1 VAL 49 1HG1 VAL 49 -1.945 -5.568 -3.628 378 2HG1 VAL 49 2HG1 VAL 49 -2.765 -4.982 -2.181 379 3HG1 VAL 49 3HG1 VAL 49 -2.106 -3.835 -3.347 380 1HG2 VAL 49 1HG2 VAL 49 -5.291 -3.202 -3.609 381 2HG2 VAL 49 2HG2 VAL 49 -4.614 -3.931 -2.153 382 3HG2 VAL 49 3HG2 VAL 49 -5.852 -4.785 -3.074 383 H PHE 50 H PHE 50 -1.399 -3.508 -6.027 384 HA PHE 50 HA PHE 50 -1.059 -5.873 -7.741 385 1HB PHE 50 1HB PHE 50 0.118 -3.107 -7.918 386 2HB PHE 50 2HB PHE 50 0.840 -4.469 -8.763 387 HD1 PHE 50 HD1 PHE 50 -2.404 -2.652 -8.405 388 HD2 PHE 50 HD2 PHE 50 0.116 -5.034 -10.875 389 HE1 PHE 50 HE1 PHE 50 -3.951 -2.331 -10.289 390 HE2 PHE 50 HE2 PHE 50 -1.429 -4.715 -12.761 391 HZ PHE 50 HZ PHE 50 -3.464 -3.362 -12.470 392 H SER 51 H SER 51 0.464 -3.931 -5.206 393 HA SER 51 HA SER 51 2.284 -6.183 -4.693 394 1HB SER 51 2HB SER 51 4.112 -4.568 -4.187 395 2HB SER 51 1HB SER 51 3.632 -4.563 -5.881 396 HG SER 51 HG SER 51 3.893 -2.453 -4.780 397 H LYS 52 H LYS 52 2.881 -6.532 -2.581 398 HA LYS 52 HA LYS 52 1.668 -4.819 -0.514 399 1HB LYS 52 1HB LYS 52 1.748 -7.835 -0.316 400 2HB LYS 52 2HB LYS 52 0.948 -6.718 0.765 401 1HG LYS 52 1HG LYS 52 -0.656 -6.148 -0.969 402 2HG LYS 52 2HG LYS 52 0.155 -7.243 -2.088 403 1HD LYS 52 1HD LYS 52 -0.347 -9.127 -0.596 404 2HD LYS 52 2HD LYS 52 -1.180 -8.024 0.501 405 1HE LYS 52 2HE LYS 52 -2.786 -7.476 -1.251 406 2HE LYS 52 1HE LYS 52 -1.945 -8.556 -2.368 407 1HZ LYS 52 1HZ LYS 52 -2.510 -10.421 -0.987 408 2HZ LYS 52 2HZ LYS 52 -3.925 -9.569 -1.354 409 3HZ LYS 52 3HZ LYS 52 -3.218 -9.415 0.174 410 H LEU 53 H LEU 53 3.361 -3.961 0.572 411 HA LEU 53 HA LEU 53 5.949 -5.162 0.584 412 1HB LEU 53 1HB LEU 53 4.953 -2.982 2.416 413 2HB LEU 53 2HB LEU 53 6.624 -3.362 2.043 414 HG LEU 53 HG LEU 53 4.608 -2.197 0.113 415 1HD1 LEU 53 1HD2 LEU 53 6.775 -0.483 0.453 416 2HD1 LEU 53 2HD2 LEU 53 6.372 -1.043 2.080 417 3HD1 LEU 53 3HD2 LEU 53 5.138 -0.273 1.083 418 1HD2 LEU 53 1HD1 LEU 53 7.323 -1.917 -0.719 419 2HD2 LEU 53 2HD1 LEU 53 5.984 -2.706 -1.555 420 3HD2 LEU 53 3HD1 LEU 53 6.986 -3.622 -0.427 421 H LYS 54 H LYS 54 7.174 -5.854 2.446 422 HA LYS 54 HA LYS 54 5.561 -6.743 4.737 423 1HB LYS 54 1HB LYS 54 6.455 -8.972 4.703 424 2HB LYS 54 2HB LYS 54 5.776 -8.643 3.116 425 1HG LYS 54 2HG LYS 54 7.955 -8.304 2.186 426 2HG LYS 54 1HG LYS 54 8.699 -8.470 3.780 427 1HD LYS 54 2HD LYS 54 8.709 -10.688 3.619 428 2HD LYS 54 1HD LYS 54 6.993 -10.718 3.207 429 1HE LYS 54 2HE LYS 54 8.232 -11.711 1.412 430 2HE LYS 54 1HE LYS 54 7.583 -10.158 0.882 431 1HZ LYS 54 1HZ LYS 54 9.634 -9.592 0.315 432 2HZ LYS 54 2HZ LYS 54 10.274 -11.016 0.966 433 3HZ LYS 54 3HZ LYS 54 10.092 -9.649 1.943 434 H GLY 55 H GLY 55 7.035 -7.644 6.517 435 1HA GLY 55 2HA GLY 55 8.942 -7.521 7.837 436 2HA GLY 55 1HA GLY 55 9.738 -6.614 6.561 437 H ARG 56 H ARG 56 9.771 -4.423 6.623 438 HA ARG 56 HA ARG 56 9.278 -3.174 9.144 439 1HB ARG 56 1HB ARG 56 10.057 -1.940 6.494 440 2HB ARG 56 2HB ARG 56 10.129 -1.138 8.055 441 1HG ARG 56 2HG ARG 56 11.707 -3.609 7.372 442 2HG ARG 56 1HG ARG 56 12.318 -1.965 7.190 443 1HD ARG 56 2HD ARG 56 11.376 -3.208 9.772 444 2HD ARG 56 1HD ARG 56 13.057 -3.010 9.289 445 HE ARG 56 HE ARG 56 11.359 -1.032 10.436 446 1HH1 ARG 56 1HH1 ARG 56 14.074 -1.421 8.241 447 2HH1 ARG 56 2HH1 ARG 56 14.631 0.202 8.465 448 1HH2 ARG 56 1HH2 ARG 56 12.112 1.088 10.713 449 2HH2 ARG 56 2HH2 ARG 56 13.524 1.620 9.862 450 H GLY 57 H GLY 57 7.649 -3.210 6.033 451 1HA GLY 57 2HA GLY 57 5.449 -1.654 7.238 452 2HA GLY 57 1HA GLY 57 5.990 -1.351 5.593 453 H ARG 58 H ARG 58 5.088 -4.173 7.572 454 HA ARG 58 HA ARG 58 4.044 -5.610 5.349 455 1HB ARG 58 1HB ARG 58 3.241 -7.223 7.059 456 2HB ARG 58 2HB ARG 58 4.946 -6.845 7.202 457 1HG ARG 58 1HG ARG 58 4.495 -6.597 9.372 458 2HG ARG 58 2HG ARG 58 3.830 -5.037 8.895 459 1HD ARG 58 2HD ARG 58 2.247 -6.199 10.301 460 2HD ARG 58 1HD ARG 58 1.612 -6.065 8.662 461 HE ARG 58 HE ARG 58 2.937 -8.517 8.895 462 1HH1 ARG 58 1HH1 ARG 58 0.059 -6.951 10.148 463 2HH1 ARG 58 2HH1 ARG 58 -0.797 -8.440 10.360 464 1HH2 ARG 58 1HH2 ARG 58 1.797 -10.459 9.180 465 2HH2 ARG 58 2HH2 ARG 58 0.185 -10.424 9.813 466 H LEU 59 H LEU 59 2.768 -3.076 7.142 467 HA LEU 59 HA LEU 59 -0.012 -3.867 6.635 468 1HB LEU 59 2HB LEU 59 1.127 -1.615 8.297 469 2HB LEU 59 1HB LEU 59 -0.583 -1.912 8.070 470 HG LEU 59 HG LEU 59 1.277 -3.925 9.329 471 1HD1 LEU 59 1HD2 LEU 59 0.052 -3.114 11.456 472 2HD1 LEU 59 2HD2 LEU 59 -0.225 -1.639 10.531 473 3HD1 LEU 59 3HD2 LEU 59 1.422 -2.185 10.845 474 1HD2 LEU 59 1HD1 LEU 59 -0.725 -4.938 8.504 475 2HD2 LEU 59 2HD1 LEU 59 -1.722 -3.667 9.211 476 3HD2 LEU 59 3HD1 LEU 59 -0.866 -4.799 10.257 477 H PHE 60 H PHE 60 2.311 -2.485 4.900 478 HA PHE 60 HA PHE 60 0.560 -0.411 3.760 479 1HB PHE 60 2HB PHE 60 3.569 -0.607 3.821 480 2HB PHE 60 1HB PHE 60 2.718 0.493 2.746 481 HD1 PHE 60 HD1 PHE 60 3.202 -0.353 6.337 482 HD2 PHE 60 HD2 PHE 60 1.999 2.578 3.493 483 HE1 PHE 60 HE1 PHE 60 3.099 1.334 8.125 484 HE2 PHE 60 HE2 PHE 60 1.894 4.269 5.277 485 HZ PHE 60 HZ PHE 60 2.445 3.648 7.595 486 H TRP 61 H TRP 61 -0.266 -0.743 1.856 487 HA TRP 61 HA TRP 61 0.887 -2.808 0.100 488 1HB TRP 61 2HB TRP 61 -1.958 -1.859 0.483 489 2HB TRP 61 1HB TRP 61 -1.472 -2.844 -0.889 490 HD1 TRP 61 HD1 TRP 61 0.515 -4.368 1.660 491 HE1 TRP 61 HE1 TRP 61 -0.670 -6.342 2.787 492 HE3 TRP 61 HE3 TRP 61 -4.292 -3.401 0.179 493 HZ2 TRP 61 HZ2 TRP 61 -3.286 -7.348 3.050 494 HZ3 TRP 61 HZ3 TRP 61 -6.074 -4.921 0.926 495 HH2 TRP 61 HH2 TRP 61 -5.580 -6.853 2.330 496 H GLY 62 H GLY 62 -0.303 -2.272 -2.271 497 1HA GLY 62 2HA GLY 62 -0.211 0.503 -2.991 498 2HA GLY 62 1HA GLY 62 1.265 -0.371 -3.491 499 H GLY 63 H GLY 63 -0.622 0.895 -5.242 500 1HA GLY 63 1HA GLY 63 -0.862 -0.932 -7.277 501 2HA GLY 63 2HA GLY 63 -2.366 -1.071 -6.378 502 H SER 64 H SER 64 -3.538 -0.329 -8.184 503 HA SER 64 HA SER 64 -3.342 2.583 -8.600 504 1HB SER 64 1HB SER 64 -4.034 2.256 -10.941 505 2HB SER 64 2HB SER 64 -2.521 1.416 -10.602 506 HG SER 64 HG SER 64 -4.422 0.305 -11.752 507 H VAL 65 H VAL 65 -5.249 3.717 -8.682 508 HA VAL 65 HA VAL 65 -7.574 2.285 -7.674 509 HB VAL 65 HB VAL 65 -6.952 4.246 -6.414 510 1HG1 VAL 65 1HG1 VAL 65 -6.565 5.439 -9.003 511 2HG1 VAL 65 2HG1 VAL 65 -6.010 5.984 -7.421 512 3HG1 VAL 65 3HG1 VAL 65 -7.610 6.446 -8.001 513 1HG2 VAL 65 1HG2 VAL 65 -9.436 3.652 -6.996 514 2HG2 VAL 65 2HG2 VAL 65 -9.395 5.210 -7.823 515 3HG2 VAL 65 3HG2 VAL 65 -9.047 5.117 -6.095 516 H GLN 66 H GLN 66 -9.236 1.730 -8.858 517 HA GLN 66 HA GLN 66 -9.409 2.553 -11.632 518 1HB GLN 66 2HB GLN 66 -9.763 0.191 -11.030 519 2HB GLN 66 1HB GLN 66 -11.134 0.646 -10.029 520 1HG GLN 66 2HG GLN 66 -12.325 1.438 -12.000 521 2HG GLN 66 1HG GLN 66 -10.945 1.011 -13.013 522 1HE2 GLN 66 1HE2 GLN 66 -11.156 -0.827 -14.042 523 2HE2 GLN 66 2HE2 GLN 66 -12.075 -2.196 -13.526 524 H GLY 67 H GLY 67 -10.834 3.966 -12.469 525 1HA GLY 67 1HA GLY 67 -13.358 4.615 -11.493 526 2HA GLY 67 2HA GLY 67 -12.232 5.753 -10.774 527 H ASP 68 H ASP 68 -10.517 5.546 -13.254 528 HA ASP 68 HA ASP 68 -12.215 6.890 -15.214 529 1HB ASP 68 2HB ASP 68 -11.266 8.647 -13.724 530 2HB ASP 68 1HB ASP 68 -9.650 8.120 -14.179 531 H TYR 69 H TYR 69 -11.865 4.905 -16.346 532 HA TYR 69 HA TYR 69 -9.159 4.503 -17.403 533 1HB TYR 69 2HB TYR 69 -11.543 2.729 -17.103 534 2HB TYR 69 1HB TYR 69 -10.419 2.394 -18.411 535 HD1 TYR 69 HD1 TYR 69 -9.094 0.602 -17.900 536 HD2 TYR 69 HD2 TYR 69 -9.954 3.402 -14.810 537 HE1 TYR 69 HE1 TYR 69 -7.644 -0.653 -16.364 538 HE2 TYR 69 HE2 TYR 69 -8.501 2.154 -13.270 539 HH TYR 69 HH TYR 69 -6.314 -0.160 -14.270 540 H TYR 70 H TYR 70 -11.806 6.231 -18.157 541 HA TYR 70 HA TYR 70 -12.042 5.688 -20.963 542 1HB TYR 70 1HB TYR 70 -13.905 6.605 -19.558 543 2HB TYR 70 2HB TYR 70 -12.994 8.099 -19.404 544 HD1 TYR 70 HD1 TYR 70 -13.715 9.827 -20.722 545 HD2 TYR 70 HD2 TYR 70 -14.119 5.856 -22.201 546 HE1 TYR 70 HE1 TYR 70 -14.777 10.700 -22.759 547 HE2 TYR 70 HE2 TYR 70 -15.177 6.721 -24.245 548 HH TYR 70 HH TYR 70 -16.472 9.660 -24.543 549 H GLY 71 H GLY 71 -10.149 7.694 -18.923 550 1HA GLY 71 1HA GLY 71 -8.903 8.982 -21.272 551 2HA GLY 71 2HA GLY 71 -9.029 9.753 -19.697 552 H ASP 72 H ASP 72 -7.552 9.285 -18.111 553 HA ASP 72 HA ASP 72 -5.687 7.102 -18.360 554 1HB ASP 72 1HB ASP 72 -4.796 8.936 -19.894 555 2HB ASP 72 2HB ASP 72 -4.545 9.902 -18.446 556 H LEU 73 H LEU 73 -5.436 6.381 -16.339 557 HA LEU 73 HA LEU 73 -4.890 8.214 -14.156 558 1HB LEU 73 1HB LEU 73 -7.515 7.576 -14.562 559 2HB LEU 73 2HB LEU 73 -7.029 6.290 -13.479 560 HG LEU 73 HG LEU 73 -8.087 8.184 -12.310 561 1HD1 LEU 73 1HD2 LEU 73 -6.229 6.699 -11.320 562 2HD1 LEU 73 2HD2 LEU 73 -6.702 8.167 -10.462 563 3HD1 LEU 73 3HD2 LEU 73 -5.231 8.149 -11.435 564 1HD2 LEU 73 1HD1 LEU 73 -5.720 9.918 -12.606 565 2HD2 LEU 73 2HD1 LEU 73 -7.423 10.334 -12.409 566 3HD2 LEU 73 3HD1 LEU 73 -6.814 9.830 -13.986 567 H ALA 74 H ALA 74 -5.313 4.916 -15.328 568 HA ALA 74 HA ALA 74 -4.088 3.681 -13.052 569 1HB ALA 74 1HB ALA 74 -4.799 2.615 -15.772 570 2HB ALA 74 2HB ALA 74 -5.672 2.388 -14.255 571 3HB ALA 74 3HB ALA 74 -4.091 1.633 -14.486 572 H ALA 75 H ALA 75 -2.750 5.478 -15.525 573 HA ALA 75 HA ALA 75 -0.417 3.967 -16.125 574 1HB ALA 75 1HB ALA 75 0.496 6.248 -16.816 575 2HB ALA 75 2HB ALA 75 -1.100 6.878 -16.405 576 3HB ALA 75 3HB ALA 75 -0.933 5.656 -17.666 577 H ARG 76 H ARG 76 -1.142 6.497 -13.755 578 HA ARG 76 HA ARG 76 1.529 6.380 -12.655 579 1HB ARG 76 2HB ARG 76 0.643 8.015 -10.971 580 2HB ARG 76 1HB ARG 76 0.526 8.550 -12.638 581 1HG ARG 76 2HG ARG 76 -1.836 8.068 -12.678 582 2HG ARG 76 1HG ARG 76 -1.753 7.380 -11.055 583 1HD ARG 76 2HD ARG 76 -1.074 9.557 -10.170 584 2HD ARG 76 1HD ARG 76 -1.156 10.243 -11.792 585 HE ARG 76 HE ARG 76 -3.633 9.089 -11.195 586 1HH1 ARG 76 1HH1 ARG 76 -1.667 11.799 -10.149 587 2HH1 ARG 76 2HH1 ARG 76 -3.030 12.751 -9.668 588 1HH2 ARG 76 1HH2 ARG 76 -5.409 10.353 -10.556 589 2HH2 ARG 76 2HH2 ARG 76 -5.147 11.932 -9.897 590 H LEU 77 H LEU 77 2.165 4.914 -11.280 591 HA LEU 77 HA LEU 77 0.183 3.370 -9.777 592 1HB LEU 77 2HB LEU 77 2.004 2.344 -11.281 593 2HB LEU 77 1HB LEU 77 3.130 2.788 -10.017 594 HG LEU 77 HG LEU 77 1.958 1.314 -8.437 595 1HD1 LEU 77 1HD2 LEU 77 -0.289 1.358 -9.210 596 2HD1 LEU 77 2HD2 LEU 77 0.285 -0.300 -9.392 597 3HD1 LEU 77 3HD2 LEU 77 0.177 0.755 -10.802 598 1HD2 LEU 77 1HD1 LEU 77 3.792 0.535 -10.019 599 2HD2 LEU 77 2HD1 LEU 77 2.503 -0.220 -10.958 600 3HD2 LEU 77 3HD1 LEU 77 2.784 -0.714 -9.288 601 H GLY 78 H GLY 78 0.034 3.460 -7.571 602 1HA GLY 78 1HA GLY 78 2.142 4.950 -6.139 603 2HA GLY 78 2HA GLY 78 0.455 5.392 -5.937 604 H TYR 79 H TYR 79 1.139 4.995 -3.645 605 HA TYR 79 HA TYR 79 0.586 2.191 -2.978 606 1HB TYR 79 2HB TYR 79 2.573 3.927 -1.494 607 2HB TYR 79 1HB TYR 79 2.179 2.246 -1.142 608 HD1 TYR 79 HD1 TYR 79 4.164 4.493 -3.172 609 HD2 TYR 79 HD2 TYR 79 2.894 0.455 -2.754 610 HE1 TYR 79 HE1 TYR 79 5.977 3.787 -4.662 611 HE2 TYR 79 HE2 TYR 79 4.704 -0.273 -4.251 612 HH TYR 79 HH TYR 79 6.174 1.371 -6.299 613 H PHE 80 H PHE 80 -0.490 1.833 -0.975 614 HA PHE 80 HA PHE 80 -1.531 4.127 0.473 615 1HB PHE 80 2HB PHE 80 -3.906 3.358 0.157 616 2HB PHE 80 1HB PHE 80 -3.154 3.998 -1.301 617 HD1 PHE 80 HD1 PHE 80 -4.380 0.950 0.368 618 HD2 PHE 80 HD2 PHE 80 -2.756 2.597 -3.207 619 HE1 PHE 80 HE1 PHE 80 -4.982 -1.101 -0.847 620 HE2 PHE 80 HE2 PHE 80 -3.356 0.548 -4.424 621 HZ PHE 80 HZ PHE 80 -4.469 -1.304 -3.245 622 HA PRO 81 HA PRO 81 -1.334 1.195 3.836 623 1HB PRO 81 2HB PRO 81 -3.455 2.575 5.285 624 2HB PRO 81 1HB PRO 81 -1.728 2.513 5.640 625 1HG PRO 81 2HG PRO 81 -2.965 4.770 4.803 626 2HG PRO 81 1HG PRO 81 -1.273 4.404 4.418 627 1HD PRO 81 2HD PRO 81 -3.717 4.078 2.712 628 2HD PRO 81 1HD PRO 81 -2.115 4.713 2.275 629 H SER 82 H SER 82 -2.273 -0.705 4.379 630 HA SER 82 HA SER 82 -4.565 -1.629 3.022 631 1HB SER 82 2HB SER 82 -4.283 -3.675 4.329 632 2HB SER 82 1HB SER 82 -2.717 -3.089 3.776 633 HG SER 82 HG SER 82 -2.793 -1.968 5.982 634 H SER 83 H SER 83 -4.222 0.066 5.981 635 HA SER 83 HA SER 83 -6.482 -0.842 7.386 636 1HB SER 83 1HB SER 83 -4.661 0.399 8.451 637 2HB SER 83 2HB SER 83 -5.093 1.839 7.528 638 HG SER 83 HG SER 83 -6.462 0.603 9.646 639 H ILE 84 H ILE 84 -6.275 1.292 4.636 640 HA ILE 84 HA ILE 84 -8.932 2.374 5.220 641 HB ILE 84 HB ILE 84 -8.652 3.894 3.373 642 1HG1 ILE 84 1HG1 ILE 84 -5.861 2.818 2.990 643 2HG1 ILE 84 2HG1 ILE 84 -7.225 2.278 2.008 644 1HG2 ILE 84 1HG2 ILE 84 -7.261 5.338 4.473 645 2HG2 ILE 84 2HG2 ILE 84 -6.063 4.094 4.828 646 3HG2 ILE 84 3HG2 ILE 84 -7.569 4.156 5.744 647 1HD1 ILE 84 1HD1 ILE 84 -5.625 4.650 1.779 648 2HD1 ILE 84 2HD1 ILE 84 -7.337 5.046 1.935 649 3HD1 ILE 84 3HD1 ILE 84 -6.795 3.963 0.651 650 H VAL 85 H VAL 85 -7.766 -0.335 3.695 651 HA VAL 85 HA VAL 85 -10.132 -0.397 1.927 652 HB VAL 85 HB VAL 85 -8.964 -1.774 0.319 653 1HG1 VAL 85 1HG1 VAL 85 -7.301 -0.160 -0.523 654 2HG1 VAL 85 2HG1 VAL 85 -7.403 0.707 1.010 655 3HG1 VAL 85 3HG1 VAL 85 -8.817 0.601 -0.038 656 1HG2 VAL 85 1HG2 VAL 85 -7.412 -3.103 1.349 657 2HG2 VAL 85 2HG2 VAL 85 -6.810 -1.793 2.372 658 3HG2 VAL 85 3HG2 VAL 85 -6.350 -1.863 0.671 659 H ARG 86 H ARG 86 -10.728 -2.667 1.284 660 HA ARG 86 HA ARG 86 -10.219 -4.661 3.353 661 1HB ARG 86 2HB ARG 86 -12.239 -3.377 4.034 662 2HB ARG 86 1HB ARG 86 -13.019 -3.889 2.546 663 1HG ARG 86 2HG ARG 86 -13.197 -6.085 3.231 664 2HG ARG 86 1HG ARG 86 -11.901 -5.923 4.422 665 1HD ARG 86 1HD ARG 86 -13.995 -6.040 5.580 666 2HD ARG 86 2HD ARG 86 -13.340 -4.408 5.713 667 HE ARG 86 HE ARG 86 -15.063 -4.475 3.516 668 1HH1 ARG 86 1HH1 ARG 86 -15.257 -4.723 7.010 669 2HH1 ARG 86 2HH1 ARG 86 -16.865 -4.087 7.079 670 1HH2 ARG 86 1HH2 ARG 86 -17.170 -3.642 3.629 671 2HH2 ARG 86 2HH2 ARG 86 -17.948 -3.476 5.167 672 H GLU 87 H GLU 87 -9.558 -6.388 2.285 673 HA GLU 87 HA GLU 87 -9.894 -6.825 -0.473 674 1HB GLU 87 1HB GLU 87 -8.805 -8.337 1.818 675 2HB GLU 87 2HB GLU 87 -9.294 -9.300 0.429 676 1HG GLU 87 2HG GLU 87 -7.844 -7.790 -0.970 677 2HG GLU 87 1HG GLU 87 -7.225 -7.132 0.546 678 H ASP 88 H ASP 88 -11.381 -7.896 -1.642 679 HA ASP 88 HA ASP 88 -13.589 -9.186 -0.179 680 1HB ASP 88 2HB ASP 88 -14.153 -7.023 -1.332 681 2HB ASP 88 1HB ASP 88 -13.775 -7.802 -2.863 682 H GLN 89 H GLN 89 -11.738 -9.212 -3.226 683 HA GLN 89 HA GLN 89 -11.969 -12.130 -3.290 684 1HB GLN 89 2HB GLN 89 -13.929 -11.263 -4.546 685 2HB GLN 89 1HB GLN 89 -12.836 -10.418 -5.629 686 1HG GLN 89 2HG GLN 89 -12.068 -13.154 -5.544 687 2HG GLN 89 1HG GLN 89 -13.808 -13.067 -5.810 688 1HE2 GLN 89 1HE2 GLN 89 -10.949 -13.228 -7.334 689 2HE2 GLN 89 2HE2 GLN 89 -11.342 -12.472 -8.833 690 H THR 90 H THR 90 -10.200 -13.127 -4.087 691 HA THR 90 HA THR 90 -7.964 -11.477 -4.979 692 HB THR 90 HB THR 90 -8.069 -14.451 -4.429 693 HG1 THR 90 HG1 THR 90 -7.689 -12.245 -2.776 694 1HG2 THR 90 1HG2 THR 90 -5.902 -14.624 -4.874 695 2HG2 THR 90 2HG2 THR 90 -5.528 -13.145 -3.990 696 3HG2 THR 90 3HG2 THR 90 -6.045 -13.058 -5.673 697 H LEU 91 H LEU 91 -7.573 -11.163 -7.063 698 HA LEU 91 HA LEU 91 -8.991 -12.665 -9.095 699 1HB LEU 91 1HB LEU 91 -6.944 -10.505 -9.553 700 2HB LEU 91 2HB LEU 91 -8.253 -10.993 -10.611 701 HG LEU 91 HG LEU 91 -8.771 -9.719 -7.932 702 1HD1 LEU 91 1HD2 LEU 91 -7.295 -8.399 -9.657 703 2HD1 LEU 91 2HD2 LEU 91 -8.594 -7.605 -8.766 704 3HD1 LEU 91 3HD2 LEU 91 -8.854 -8.120 -10.434 705 1HD2 LEU 91 1HD1 LEU 91 -10.807 -8.952 -9.420 706 2HD2 LEU 91 2HD1 LEU 91 -10.790 -10.522 -8.614 707 3HD2 LEU 91 3HD1 LEU 91 -10.385 -10.407 -10.327 708 H LYS 92 H LYS 92 -5.747 -12.363 -7.864 709 HA LYS 92 HA LYS 92 -4.907 -14.725 -9.305 710 1HB LYS 92 2HB LYS 92 -4.467 -12.854 -10.897 711 2HB LYS 92 1HB LYS 92 -3.391 -12.132 -9.714 712 1HG LYS 92 1HG LYS 92 -1.765 -13.267 -10.736 713 2HG LYS 92 2HG LYS 92 -2.412 -14.691 -9.925 714 1HD LYS 92 2HD LYS 92 -3.230 -13.765 -12.684 715 2HD LYS 92 1HD LYS 92 -2.035 -15.012 -12.357 716 1HE LYS 92 2HE LYS 92 -3.733 -16.376 -11.249 717 2HE LYS 92 1HE LYS 92 -4.940 -15.131 -11.565 718 1HZ LYS 92 1HZ LYS 92 -3.465 -16.709 -13.603 719 2HZ LYS 92 2HZ LYS 92 -4.542 -15.453 -13.952 720 3HZ LYS 92 3HZ LYS 92 -5.103 -16.863 -13.203 721 HA PRO 93 HA PRO 93 -3.021 -15.331 -5.264 722 1HB PRO 93 2HB PRO 93 -1.137 -17.072 -6.728 723 2HB PRO 93 1HB PRO 93 -2.153 -17.428 -5.343 724 1HG PRO 93 1HG PRO 93 -2.702 -18.334 -7.809 725 2HG PRO 93 2HG PRO 93 -3.952 -17.976 -6.606 726 1HD PRO 93 1HD PRO 93 -3.210 -16.498 -9.044 727 2HD PRO 93 2HD PRO 93 -4.731 -16.542 -8.148 728 H GLY 94 H GLY 94 -1.605 -14.080 -4.268 729 1HA GLY 94 1HA GLY 94 0.730 -13.056 -5.752 730 2HA GLY 94 2HA GLY 94 0.002 -12.286 -4.346 731 H LYS 95 H LYS 95 2.098 -14.800 -5.481 732 HA LYS 95 HA LYS 95 3.093 -15.185 -2.750 733 1HB LYS 95 1HB LYS 95 3.478 -17.623 -3.456 734 2HB LYS 95 2HB LYS 95 1.844 -17.122 -3.041 735 1HG LYS 95 2HG LYS 95 1.327 -16.863 -5.414 736 2HG LYS 95 1HG LYS 95 2.958 -17.399 -5.820 737 1HD LYS 95 2HD LYS 95 2.495 -19.540 -4.683 738 2HD LYS 95 1HD LYS 95 0.845 -18.992 -4.378 739 1HE LYS 95 2HE LYS 95 0.898 -20.446 -6.319 740 2HE LYS 95 1HE LYS 95 0.473 -18.803 -6.797 741 1HZ LYS 95 1HZ LYS 95 2.498 -18.481 -7.812 742 2HZ LYS 95 2HZ LYS 95 2.213 -20.113 -8.156 743 3HZ LYS 95 3HZ LYS 95 3.280 -19.685 -6.915 744 H VAL 96 H VAL 96 4.126 -13.555 -4.987 745 HA VAL 96 HA VAL 96 6.737 -14.887 -5.355 746 HB VAL 96 HB VAL 96 5.519 -12.780 -7.161 747 1HG1 VAL 96 1HG1 VAL 96 8.000 -14.466 -7.498 748 2HG1 VAL 96 2HG1 VAL 96 7.958 -12.737 -7.155 749 3HG1 VAL 96 3HG1 VAL 96 7.346 -13.346 -8.693 750 1HG2 VAL 96 1HG2 VAL 96 5.955 -15.383 -8.354 751 2HG2 VAL 96 2HG2 VAL 96 4.512 -14.370 -8.355 752 3HG2 VAL 96 3HG2 VAL 96 4.820 -15.463 -7.005 753 H ASP 97 H ASP 97 8.523 -13.853 -4.625 754 HA ASP 97 HA ASP 97 8.140 -11.265 -3.280 755 1HB ASP 97 2HB ASP 97 8.986 -13.194 -1.954 756 2HB ASP 97 1HB ASP 97 10.395 -13.269 -3.001 757 H VAL 98 H VAL 98 8.836 -9.499 -4.213 758 HA VAL 98 HA VAL 98 11.210 -9.593 -5.967 759 HB VAL 98 HB VAL 98 8.870 -7.727 -6.434 760 1HG1 VAL 98 1HG1 VAL 98 11.463 -7.634 -7.350 761 2HG1 VAL 98 2HG1 VAL 98 10.077 -6.815 -8.072 762 3HG1 VAL 98 3HG1 VAL 98 10.590 -8.387 -8.685 763 1HG2 VAL 98 1HG2 VAL 98 8.868 -10.488 -6.951 764 2HG2 VAL 98 2HG2 VAL 98 9.126 -9.696 -8.506 765 3HG2 VAL 98 3HG2 VAL 98 7.718 -9.280 -7.527 766 H LYS 99 H LYS 99 12.775 -8.177 -5.341 767 HA LYS 99 HA LYS 99 12.257 -6.419 -3.106 768 1HB LYS 99 2HB LYS 99 14.587 -6.047 -2.973 769 2HB LYS 99 1HB LYS 99 14.410 -7.732 -3.418 770 1HG LYS 99 2HG LYS 99 14.921 -5.621 -5.478 771 2HG LYS 99 1HG LYS 99 16.231 -6.356 -4.562 772 1HD LYS 99 2HD LYS 99 15.444 -8.588 -5.370 773 2HD LYS 99 1HD LYS 99 14.284 -7.747 -6.400 774 1HE LYS 99 2HE LYS 99 17.278 -7.409 -6.504 775 2HE LYS 99 1HE LYS 99 16.320 -8.381 -7.620 776 1HZ LYS 99 1HZ LYS 99 16.460 -5.454 -7.360 777 2HZ LYS 99 2HZ LYS 99 15.057 -6.166 -7.978 778 3HZ LYS 99 3HZ LYS 99 16.540 -6.411 -8.753 779 H THR 100 H THR 100 13.120 -4.105 -3.201 780 HA THR 100 HA THR 100 12.155 -2.880 -5.702 781 HB THR 100 HB THR 100 11.589 -0.897 -4.414 782 HG1 THR 100 HG1 THR 100 13.086 -2.183 -2.462 783 1HG2 THR 100 1HG2 THR 100 9.818 -1.680 -3.055 784 2HG2 THR 100 2HG2 THR 100 10.591 -3.251 -2.837 785 3HG2 THR 100 3HG2 THR 100 9.960 -2.791 -4.418 786 H ASP 101 H ASP 101 13.457 -1.667 -6.906 787 HA ASP 101 HA ASP 101 16.167 -1.141 -5.920 788 1HB ASP 101 1HB ASP 101 15.914 -2.548 -7.961 789 2HB ASP 101 2HB ASP 101 15.181 -1.176 -8.777 790 H LYS 102 H LYS 102 15.390 0.744 -8.662 791 HA LYS 102 HA LYS 102 14.670 3.018 -6.968 792 1HB LYS 102 2HB LYS 102 16.166 4.476 -8.322 793 2HB LYS 102 1HB LYS 102 17.012 3.296 -7.339 794 1HG LYS 102 1HG LYS 102 18.200 3.175 -9.285 795 2HG LYS 102 2HG LYS 102 17.022 1.892 -9.543 796 1HD LYS 102 2HD LYS 102 17.192 3.155 -11.566 797 2HD LYS 102 1HD LYS 102 15.631 3.509 -10.835 798 1HE LYS 102 2HE LYS 102 16.652 5.535 -11.705 799 2HE LYS 102 1HE LYS 102 16.529 5.612 -9.947 800 1HZ LYS 102 1HZ LYS 102 18.796 5.363 -9.691 801 2HZ LYS 102 2HZ LYS 102 18.716 6.314 -11.088 802 3HZ LYS 102 3HZ LYS 102 19.013 4.654 -11.212 803 H TRP 103 H TRP 103 13.774 1.137 -9.510 804 HA TRP 103 HA TRP 103 12.552 3.277 -11.074 805 1HB TRP 103 2HB TRP 103 12.553 0.279 -11.516 806 2HB TRP 103 1HB TRP 103 11.847 1.463 -12.609 807 HD1 TRP 103 HD1 TRP 103 15.227 0.112 -11.442 808 HE1 TRP 103 HE1 TRP 103 17.043 0.878 -13.096 809 HE3 TRP 103 HE3 TRP 103 12.432 3.300 -14.306 810 HZ2 TRP 103 HZ2 TRP 103 17.266 2.609 -15.311 811 HZ3 TRP 103 HZ3 TRP 103 13.526 4.472 -16.173 812 HH2 TRP 103 HH2 TRP 103 15.893 4.132 -16.664 813 H ASP 104 H ASP 104 11.820 1.387 -8.422 814 HA ASP 104 HA ASP 104 9.009 1.032 -8.907 815 1HB ASP 104 2HB ASP 104 10.771 0.605 -6.497 816 2HB ASP 104 1HB ASP 104 9.033 0.346 -6.444 817 H PHE 105 H PHE 105 11.039 3.443 -7.431 818 HA PHE 105 HA PHE 105 8.708 5.142 -7.095 819 1HB PHE 105 2HB PHE 105 9.982 5.906 -4.836 820 2HB PHE 105 1HB PHE 105 8.642 4.776 -4.876 821 HD1 PHE 105 HD1 PHE 105 12.366 4.431 -5.411 822 HD2 PHE 105 HD2 PHE 105 8.860 3.141 -3.376 823 HE1 PHE 105 HE1 PHE 105 13.691 2.743 -4.201 824 HE2 PHE 105 HE2 PHE 105 10.165 1.445 -2.151 825 HZ PHE 105 HZ PHE 105 12.596 1.248 -2.576 826 H TYR 106 H TYR 106 9.498 6.206 -8.901 827 HA TYR 106 HA TYR 106 11.407 8.300 -8.290 828 1HB TYR 106 2HB TYR 106 12.799 6.453 -9.228 829 2HB TYR 106 1HB TYR 106 11.826 6.486 -10.687 830 HD1 TYR 106 HD1 TYR 106 13.569 6.940 -12.225 831 HD2 TYR 106 HD2 TYR 106 13.018 9.530 -8.886 832 HE1 TYR 106 HE1 TYR 106 15.111 8.566 -13.232 833 HE2 TYR 106 HE2 TYR 106 14.552 11.159 -9.890 834 HH TYR 106 HH TYR 106 15.357 11.725 -12.248 835 H CYS 107 H CYS 107 9.769 9.780 -8.470 836 HA CYS 107 HA CYS 107 8.271 9.897 -10.995 837 1HB CYS 107 2HB CYS 107 7.723 11.229 -8.343 838 2HB CYS 107 1HB CYS 107 6.729 11.384 -9.783 839 H GLN 108 HN GLN 108 10.723 10.754 -11.439 840 HA GLN 108 HA GLN 108 10.390 13.615 -11.820 841 1HB GLN 108 2HB GLN 108 11.753 13.495 -9.836 842 2HB GLN 108 1HB GLN 108 12.814 12.308 -10.578 843 1HG GLN 108 2HG GLN 108 13.561 13.961 -12.180 844 2HG GLN 108 1HG GLN 108 12.497 15.161 -11.454 845 1HE2 GLN 108 1HE2 GLN 108 13.459 16.496 -10.115 846 2HE2 GLN 108 2HE2 GLN 108 14.866 16.163 -9.166 Start of MODEL 7 1 1H MET 1 1HT MET 1 7.191 15.272 -2.123 2 2H MET 1 2HT MET 1 6.633 16.246 -3.387 3 3H MET 1 3HT MET 1 7.913 16.774 -2.418 4 HA MET 1 HA MET 1 8.133 14.273 -3.948 5 1HB MET 1 2HB MET 1 9.152 15.593 -5.791 6 2HB MET 1 1HB MET 1 7.439 15.918 -5.576 7 1HG MET 1 2HG MET 1 7.977 17.987 -4.395 8 2HG MET 1 1HG MET 1 9.697 17.659 -4.602 9 1HE MET 1 1HE MET 1 8.718 20.713 -6.931 10 2HE MET 1 2HE MET 1 10.134 20.140 -6.049 11 3HE MET 1 3HE MET 1 8.576 20.267 -5.232 12 H GLY 2 H GLY 2 10.321 13.668 -4.286 13 1HA GLY 2 2HA GLY 2 12.709 14.388 -3.972 14 2HA GLY 2 1HA GLY 2 12.197 14.939 -2.385 15 HA PRO 3 HA PRO 3 13.456 10.426 -2.162 16 1HB PRO 3 2HB PRO 3 16.027 10.809 -1.130 17 2HB PRO 3 1HB PRO 3 15.618 10.371 -2.785 18 1HG PRO 3 1HG PRO 3 16.757 12.797 -1.874 19 2HG PRO 3 2HG PRO 3 16.253 12.391 -3.517 20 1HD PRO 3 1HD PRO 3 14.892 14.023 -1.487 21 2HD PRO 3 2HD PRO 3 14.705 14.015 -3.248 22 H MET 4 H MET 4 12.204 9.944 -0.482 23 HA MET 4 HA MET 4 12.994 10.856 2.204 24 1HB MET 4 2HB MET 4 10.750 10.927 2.820 25 2HB MET 4 1HB MET 4 10.654 11.404 1.134 26 1HG MET 4 2HG MET 4 10.074 8.667 2.234 27 2HG MET 4 1HG MET 4 8.883 9.863 1.734 28 1HE MET 4 1HE MET 4 7.914 7.544 -0.102 29 2HE MET 4 2HE MET 4 9.040 7.030 1.158 30 3HE MET 4 3HE MET 4 9.314 6.554 -0.521 31 HA PRO 5 HA PRO 5 13.857 6.731 3.790 32 1HB PRO 5 2HB PRO 5 11.164 6.473 5.052 33 2HB PRO 5 1HB PRO 5 12.758 6.138 5.733 34 1HG PRO 5 2HG PRO 5 11.472 8.359 6.384 35 2HG PRO 5 1HG PRO 5 13.220 8.392 6.079 36 1HD PRO 5 1HD PRO 5 10.971 9.330 4.349 37 2HD PRO 5 2HD PRO 5 12.598 10.009 4.561 38 H LYS 6 H LYS 6 13.703 4.631 3.156 39 HA LYS 6 HA LYS 6 12.256 4.016 0.831 40 1HB LYS 6 2HB LYS 6 13.838 2.311 2.749 41 2HB LYS 6 1HB LYS 6 13.061 1.636 1.326 42 1HG LYS 6 1HG LYS 6 15.258 1.999 0.670 43 2HG LYS 6 2HG LYS 6 14.386 3.376 0.006 44 1HD LYS 6 2HD LYS 6 15.474 4.856 1.298 45 2HD LYS 6 1HD LYS 6 15.461 3.790 2.707 46 1HE LYS 6 1HE LYS 6 17.279 2.493 1.757 47 2HE LYS 6 2HE LYS 6 17.288 3.523 0.327 48 1HZ LYS 6 1HZ LYS 6 18.945 3.957 2.263 49 2HZ LYS 6 2HZ LYS 6 17.631 4.750 2.973 50 3HZ LYS 6 3HZ LYS 6 18.215 5.261 1.471 51 H LEU 7 H LEU 7 11.696 3.226 4.207 52 HA LEU 7 HA LEU 7 10.036 2.280 5.379 53 1HB LEU 7 1HB LEU 7 7.886 3.074 5.062 54 2HB LEU 7 2HB LEU 7 8.909 4.309 4.371 55 HG LEU 7 HG LEU 7 8.284 2.828 2.155 56 1HD1 LEU 7 1HD1 LEU 7 5.594 3.083 3.225 57 2HD1 LEU 7 2HD1 LEU 7 6.558 1.855 4.052 58 3HD1 LEU 7 3HD1 LEU 7 6.331 1.770 2.304 59 1HD2 LEU 7 1HD2 LEU 7 6.435 4.654 1.917 60 2HD2 LEU 7 2HD2 LEU 7 8.139 5.114 1.947 61 3HD2 LEU 7 3HD2 LEU 7 7.153 5.291 3.399 62 H ALA 8 H ALA 8 11.074 0.783 2.757 63 HA ALA 8 HA ALA 8 9.786 -1.684 3.414 64 1HB ALA 8 1HB ALA 8 8.516 -2.104 1.529 65 2HB ALA 8 2HB ALA 8 9.361 -0.897 0.561 66 3HB ALA 8 3HB ALA 8 8.206 -0.388 1.790 67 H ASP 9 H ASP 9 10.504 -3.433 1.741 68 HA ASP 9 HA ASP 9 13.135 -2.832 0.606 69 1HB ASP 9 1HB ASP 9 13.346 -3.776 2.969 70 2HB ASP 9 2HB ASP 9 12.690 -5.276 2.326 71 H ARG 10 H ARG 10 10.723 -5.415 1.094 72 HA ARG 10 HA ARG 10 10.921 -6.056 -1.775 73 1HB ARG 10 2HB ARG 10 10.886 -7.940 0.555 74 2HB ARG 10 1HB ARG 10 10.274 -8.457 -1.002 75 1HG ARG 10 1HG ARG 10 12.427 -9.216 -1.059 76 2HG ARG 10 2HG ARG 10 12.606 -7.645 -1.835 77 1HD ARG 10 1HD ARG 10 14.362 -8.031 -0.201 78 2HD ARG 10 2HD ARG 10 13.353 -6.670 0.258 79 HE ARG 10 HE ARG 10 12.797 -7.797 2.160 80 1HH1 ARG 10 1HH1 ARG 10 14.053 -10.162 -0.115 81 2HH1 ARG 10 2HH1 ARG 10 13.964 -11.465 1.020 82 1HH2 ARG 10 1HH2 ARG 10 12.694 -9.521 3.627 83 2HH2 ARG 10 2HH2 ARG 10 13.196 -11.103 3.136 84 H LYS 11 H LYS 11 8.998 -6.793 -2.765 85 HA LYS 11 HA LYS 11 6.538 -6.225 -1.251 86 1HB LYS 11 2HB LYS 11 5.553 -5.461 -3.391 87 2HB LYS 11 1HB LYS 11 6.926 -4.484 -2.892 88 1HG LYS 11 1HG LYS 11 8.345 -5.822 -4.456 89 2HG LYS 11 2HG LYS 11 6.868 -6.589 -5.042 90 1HD LYS 11 2HD LYS 11 5.994 -4.413 -5.703 91 2HD LYS 11 1HD LYS 11 7.458 -3.637 -5.098 92 1HE LYS 11 2HE LYS 11 8.789 -4.889 -6.726 93 2HE LYS 11 1HE LYS 11 7.323 -5.660 -7.332 94 1HZ LYS 11 1HZ LYS 11 7.570 -2.721 -7.303 95 2HZ LYS 11 2HZ LYS 11 6.580 -3.694 -8.268 96 3HZ LYS 11 3HZ LYS 11 8.242 -3.626 -8.565 97 H LEU 12 H LEU 12 4.581 -7.295 -2.195 98 HA LEU 12 HA LEU 12 5.240 -10.010 -3.125 99 1HB LEU 12 2HB LEU 12 2.962 -9.071 -1.379 100 2HB LEU 12 1HB LEU 12 3.087 -10.690 -2.038 101 HG LEU 12 HG LEU 12 5.146 -9.487 -0.184 102 1HD1 LEU 12 1HD1 LEU 12 4.033 -11.187 1.425 103 2HD1 LEU 12 2HD1 LEU 12 2.634 -11.015 0.364 104 3HD1 LEU 12 3HD1 LEU 12 3.291 -9.604 1.194 105 1HD2 LEU 12 1HD2 LEU 12 4.680 -12.235 -1.309 106 2HD2 LEU 12 2HD2 LEU 12 5.629 -11.969 0.154 107 3HD2 LEU 12 3HD2 LEU 12 6.143 -11.251 -1.373 108 H CYS 13 H CYS 13 4.758 -10.277 -5.173 109 HA CYS 13 HA CYS 13 2.353 -8.982 -6.273 110 1HB CYS 13 2HB CYS 13 4.883 -9.739 -7.752 111 2HB CYS 13 1HB CYS 13 3.485 -8.917 -8.435 112 H ALA 14 H ALA 14 1.652 -10.194 -8.379 113 HA ALA 14 HA ALA 14 1.067 -12.916 -7.600 114 1HB ALA 14 1HB ALA 14 0.073 -11.068 -9.724 115 2HB ALA 14 2HB ALA 14 -0.820 -11.911 -8.459 116 3HB ALA 14 3HB ALA 14 -0.231 -12.801 -9.864 117 H ASP 15 H ASP 15 3.072 -11.261 -9.933 118 HA ASP 15 HA ASP 15 4.283 -13.818 -10.683 119 1HB ASP 15 2HB ASP 15 3.267 -11.753 -12.644 120 2HB ASP 15 1HB ASP 15 4.401 -13.028 -13.080 121 H GLN 16 H GLN 16 6.296 -13.330 -12.127 122 HA GLN 16 HA GLN 16 8.094 -11.776 -10.581 123 1HB GLN 16 2HB GLN 16 8.654 -13.840 -11.913 124 2HB GLN 16 1HB GLN 16 8.537 -12.862 -13.368 125 1HG GLN 16 2HG GLN 16 10.363 -11.451 -12.570 126 2HG GLN 16 1HG GLN 16 10.479 -12.428 -11.108 127 1HE2 GLN 16 1HE2 GLN 16 11.836 -11.910 -14.027 128 2HE2 GLN 16 2HE2 GLN 16 12.553 -13.457 -14.306 129 H GLU 17 H GLU 17 6.014 -11.001 -13.190 130 HA GLU 17 HA GLU 17 7.501 -8.639 -14.010 131 1HB GLU 17 2HB GLU 17 4.840 -9.773 -14.900 132 2HB GLU 17 1HB GLU 17 5.495 -8.268 -15.515 133 1HG GLU 17 2HG GLU 17 6.108 -9.770 -17.145 134 2HG GLU 17 1HG GLU 17 7.558 -9.701 -16.149 135 H CYS 18 H CYS 18 5.035 -9.548 -11.809 136 HA CYS 18 HA CYS 18 3.660 -8.450 -10.383 137 1HB CYS 18 1HB CYS 18 5.942 -7.490 -9.747 138 2HB CYS 18 2HB CYS 18 5.493 -6.064 -10.676 139 H SER 19 H SER 19 3.161 -8.339 -13.192 140 HA SER 19 HA SER 19 1.928 -5.745 -13.663 141 1HB SER 19 2HB SER 19 3.306 -6.699 -15.438 142 2HB SER 19 1HB SER 19 2.294 -8.129 -15.456 143 HG SER 19 HG SER 19 1.287 -7.029 -16.960 144 H HIS 20 H HIS 20 1.111 -8.601 -12.242 145 HA HIS 20 HA HIS 20 -1.703 -8.501 -13.079 146 1HB HIS 20 2HB HIS 20 0.082 -10.651 -12.068 147 2HB HIS 20 1HB HIS 20 -1.608 -10.732 -11.602 148 HD1 HIS 20 HD1 HIS 20 -1.165 -13.027 -13.048 149 HD2 HIS 20 HD2 HIS 20 -1.551 -9.477 -15.168 150 HE1 HIS 20 HE1 HIS 20 -1.824 -13.710 -15.359 151 HE2 HIS 20 HE2 HIS 20 -1.919 -11.552 -16.672 152 HA PRO 21 HA PRO 21 -2.687 -7.098 -8.936 153 1HB PRO 21 1HB PRO 21 -5.405 -7.207 -9.147 154 2HB PRO 21 2HB PRO 21 -4.418 -5.959 -9.907 155 1HG PRO 21 1HG PRO 21 -5.917 -8.109 -11.152 156 2HG PRO 21 2HG PRO 21 -5.143 -6.708 -11.906 157 1HD PRO 21 1HD PRO 21 -4.188 -9.456 -11.706 158 2HD PRO 21 2HD PRO 21 -3.577 -8.123 -12.707 159 H ILE 22 H ILE 22 -2.705 -8.135 -7.021 160 HA ILE 22 HA ILE 22 -3.277 -10.927 -6.885 161 HB ILE 22 HB ILE 22 -2.698 -9.012 -4.610 162 1HG1 ILE 22 1HG1 ILE 22 -0.482 -10.460 -4.722 163 2HG1 ILE 22 2HG1 ILE 22 -0.965 -10.663 -6.405 164 1HG2 ILE 22 1HG2 ILE 22 -2.002 -11.742 -4.062 165 2HG2 ILE 22 2HG2 ILE 22 -3.708 -11.639 -4.506 166 3HG2 ILE 22 3HG2 ILE 22 -3.081 -10.666 -3.174 167 1HD1 ILE 22 1HD1 ILE 22 -0.360 -8.589 -6.945 168 2HD1 ILE 22 2HD1 ILE 22 0.560 -8.635 -5.441 169 3HD1 ILE 22 3HD1 ILE 22 -1.042 -7.898 -5.474 170 H SER 23 H SER 23 -4.718 -8.202 -5.043 171 HA SER 23 HA SER 23 -7.272 -9.656 -5.153 172 1HB SER 23 2HB SER 23 -6.093 -8.333 -2.698 173 2HB SER 23 1HB SER 23 -7.708 -9.032 -2.800 174 HG SER 23 HG SER 23 -6.123 -10.461 -1.895 175 H MET 24 H MET 24 -9.108 -8.483 -5.247 176 HA MET 24 HA MET 24 -8.837 -5.662 -5.962 177 1HB MET 24 1HB MET 24 -10.152 -7.458 -7.318 178 2HB MET 24 2HB MET 24 -11.378 -7.279 -6.073 179 1HG MET 24 2HG MET 24 -11.320 -4.787 -6.605 180 2HG MET 24 1HG MET 24 -10.402 -5.240 -8.037 181 1HE MET 24 1HE MET 24 -14.659 -6.803 -7.212 182 2HE MET 24 2HE MET 24 -14.099 -5.346 -6.390 183 3HE MET 24 3HE MET 24 -13.290 -6.886 -6.102 184 H ALA 25 H ALA 25 -8.940 -4.326 -4.236 185 HA ALA 25 HA ALA 25 -10.744 -5.069 -2.032 186 1HB ALA 25 1HB ALA 25 -9.189 -4.368 -0.591 187 2HB ALA 25 2HB ALA 25 -8.877 -2.889 -1.501 188 3HB ALA 25 3HB ALA 25 -8.084 -4.395 -1.966 189 H VAL 26 H VAL 26 -12.191 -3.648 -1.174 190 HA VAL 26 HA VAL 26 -12.901 -1.346 -2.862 191 HB VAL 26 HB VAL 26 -14.534 -2.649 -0.662 192 1HG1 VAL 26 1HG2 VAL 26 -15.155 -0.532 -2.705 193 2HG1 VAL 26 2HG2 VAL 26 -15.360 -0.468 -0.954 194 3HG1 VAL 26 3HG2 VAL 26 -16.421 -1.484 -1.929 195 1HG2 VAL 26 1HG1 VAL 26 -15.862 -3.603 -2.557 196 2HG2 VAL 26 2HG1 VAL 26 -14.241 -4.275 -2.386 197 3HG2 VAL 26 3HG1 VAL 26 -14.572 -3.084 -3.643 198 H ALA 27 H ALA 27 -12.894 0.735 -2.087 199 HA ALA 27 HA ALA 27 -11.394 1.263 0.311 200 1HB ALA 27 1HB ALA 27 -11.265 2.599 -1.822 201 2HB ALA 27 2HB ALA 27 -11.417 3.532 -0.331 202 3HB ALA 27 3HB ALA 27 -12.823 3.298 -1.375 203 H LEU 28 H LEU 28 -12.114 1.666 2.269 204 HA LEU 28 HA LEU 28 -14.983 1.787 2.747 205 1HB LEU 28 2HB LEU 28 -12.626 1.366 4.574 206 2HB LEU 28 1HB LEU 28 -14.278 1.496 5.150 207 HG LEU 28 HG LEU 28 -13.349 -0.619 3.205 208 1HD1 LEU 28 1HD2 LEU 28 -13.964 -1.290 6.019 209 2HD1 LEU 28 2HD2 LEU 28 -12.418 -0.504 5.696 210 3HD1 LEU 28 3HD2 LEU 28 -12.817 -2.025 4.900 211 1HD2 LEU 28 1HD1 LEU 28 -15.458 -1.735 4.175 212 2HD2 LEU 28 2HD1 LEU 28 -15.659 -0.454 2.980 213 3HD2 LEU 28 3HD1 LEU 28 -15.900 -0.108 4.693 214 H GLN 29 H GLN 29 -12.293 3.934 2.671 215 HA GLN 29 HA GLN 29 -13.995 6.116 3.532 216 1HB GLN 29 2HB GLN 29 -12.420 6.956 5.231 217 2HB GLN 29 1HB GLN 29 -13.090 5.392 5.668 218 1HG GLN 29 2HG GLN 29 -11.048 4.285 5.042 219 2HG GLN 29 1HG GLN 29 -10.376 5.796 4.431 220 1HE2 GLN 29 1HE2 GLN 29 -9.082 6.843 5.749 221 2HE2 GLN 29 2HE2 GLN 29 -9.050 6.708 7.469 222 H ASP 30 H ASP 30 -12.365 8.203 3.697 223 HA ASP 30 HA ASP 30 -11.165 8.341 1.032 224 1HB ASP 30 2HB ASP 30 -12.070 10.467 2.971 225 2HB ASP 30 1HB ASP 30 -11.139 10.843 1.525 226 H TYR 31 H TYR 31 -9.156 9.344 0.674 227 HA TYR 31 HA TYR 31 -7.338 9.786 2.884 228 1HB TYR 31 2HB TYR 31 -7.288 7.281 2.218 229 2HB TYR 31 1HB TYR 31 -6.528 7.832 0.733 230 HD1 TYR 31 HD1 TYR 31 -4.228 7.938 0.638 231 HD2 TYR 31 HD2 TYR 31 -6.120 8.173 4.444 232 HE1 TYR 31 HE1 TYR 31 -2.025 7.937 1.729 233 HE2 TYR 31 HE2 TYR 31 -3.921 8.173 5.543 234 HH TYR 31 HH TYR 31 -1.247 7.166 4.310 235 H MET 32 H MET 32 -5.558 11.068 2.297 236 HA MET 32 HA MET 32 -5.587 12.091 -0.468 237 1HB MET 32 2HB MET 32 -4.931 13.571 2.087 238 2HB MET 32 1HB MET 32 -4.735 14.233 0.470 239 1HG MET 32 1HG MET 32 -7.350 13.314 1.641 240 2HG MET 32 2HG MET 32 -6.790 14.978 1.607 241 1HE MET 32 1HE MET 32 -9.656 13.990 0.329 242 2HE MET 32 2HE MET 32 -9.623 15.096 -1.044 243 3HE MET 32 3HE MET 32 -9.053 15.635 0.536 244 H ALA 33 H ALA 33 -3.623 12.344 -1.511 245 HA ALA 33 HA ALA 33 -1.424 10.814 -0.384 246 1HB ALA 33 1HB ALA 33 -0.592 10.628 -2.544 247 2HB ALA 33 2HB ALA 33 -1.397 12.101 -3.086 248 3HB ALA 33 3HB ALA 33 -2.339 10.643 -2.778 249 HA PRO 34 HA PRO 34 0.533 14.795 0.713 250 1HB PRO 34 2HB PRO 34 2.279 13.272 2.444 251 2HB PRO 34 1HB PRO 34 1.027 14.429 2.892 252 1HG PRO 34 2HG PRO 34 0.852 11.771 3.403 253 2HG PRO 34 1HG PRO 34 -0.571 12.797 3.115 254 1HD PRO 34 2HD PRO 34 0.866 10.971 1.212 255 2HD PRO 34 1HD PRO 34 -0.875 11.164 1.486 256 H ASP 35 H ASP 35 2.410 11.779 0.366 257 HA ASP 35 HA ASP 35 4.689 13.219 -0.725 258 1HB ASP 35 2HB ASP 35 4.784 11.247 0.940 259 2HB ASP 35 1HB ASP 35 4.446 10.233 -0.453 260 H CYS 36 H CYS 36 5.716 12.444 -2.698 261 HA CYS 36 HA CYS 36 4.000 12.527 -4.922 262 1HB CYS 36 1HB CYS 36 6.246 13.382 -5.059 263 2HB CYS 36 2HB CYS 36 6.922 11.808 -4.660 264 H ARG 37 H ARG 37 5.453 9.823 -3.205 265 HA ARG 37 HA ARG 37 4.677 7.939 -5.271 266 1HB ARG 37 2HB ARG 37 5.731 6.238 -3.834 267 2HB ARG 37 1HB ARG 37 6.805 7.582 -4.190 268 1HG ARG 37 2HG ARG 37 7.225 7.620 -2.012 269 2HG ARG 37 1HG ARG 37 5.635 8.359 -1.835 270 1HD ARG 37 2HD ARG 37 5.775 6.535 -0.300 271 2HD ARG 37 1HD ARG 37 4.673 6.074 -1.597 272 HE ARG 37 HE ARG 37 7.205 5.155 -2.288 273 1HH1 ARG 37 1HH1 ARG 37 4.812 4.542 0.201 274 2HH1 ARG 37 2HH1 ARG 37 5.295 2.896 0.422 275 1HH2 ARG 37 1HH2 ARG 37 7.816 2.988 -1.989 276 2HH2 ARG 37 2HH2 ARG 37 6.995 2.016 -0.815 277 H PHE 38 H PHE 38 2.933 9.419 -2.900 278 HA PHE 38 HA PHE 38 1.455 7.049 -2.073 279 1HB PHE 38 2HB PHE 38 1.547 9.879 -1.185 280 2HB PHE 38 1HB PHE 38 0.015 9.040 -0.984 281 HD1 PHE 38 HD1 PHE 38 -0.343 8.123 1.067 282 HD2 PHE 38 HD2 PHE 38 3.653 8.295 -0.390 283 HE1 PHE 38 HE1 PHE 38 0.462 7.116 3.159 284 HE2 PHE 38 HE2 PHE 38 4.461 7.285 1.699 285 HZ PHE 38 HZ PHE 38 2.866 6.693 3.478 286 H LEU 39 H LEU 39 -1.007 7.227 -2.096 287 HA LEU 39 HA LEU 39 -1.928 8.314 -4.680 288 1HB LEU 39 2HB LEU 39 -1.514 5.908 -4.845 289 2HB LEU 39 1HB LEU 39 -2.551 5.618 -3.466 290 HG LEU 39 HG LEU 39 -4.482 6.473 -4.818 291 1HD1 LEU 39 1HD2 LEU 39 -3.492 7.815 -6.482 292 2HD1 LEU 39 2HD2 LEU 39 -4.094 6.388 -7.328 293 3HD1 LEU 39 3HD2 LEU 39 -2.375 6.536 -6.962 294 1HD2 LEU 39 1HD1 LEU 39 -4.176 4.403 -6.509 295 2HD2 LEU 39 2HD1 LEU 39 -4.601 4.220 -4.807 296 3HD2 LEU 39 3HD1 LEU 39 -2.927 4.021 -5.323 297 H THR 40 H THR 40 -3.895 9.288 -4.716 298 HA THR 40 HA THR 40 -5.251 9.700 -2.161 299 HB THR 40 HB THR 40 -5.753 11.010 -4.851 300 HG1 THR 40 HG1 THR 40 -4.004 12.050 -4.396 301 1HG2 THR 40 1HG2 THR 40 -7.536 11.085 -2.919 302 2HG2 THR 40 2HG2 THR 40 -7.153 12.516 -3.874 303 3HG2 THR 40 3HG2 THR 40 -6.444 12.311 -2.270 304 H ILE 41 H ILE 41 -7.096 8.722 -1.631 305 HA ILE 41 HA ILE 41 -8.655 7.363 -3.733 306 HB ILE 41 HB ILE 41 -7.695 6.308 -1.075 307 1HG1 ILE 41 1HG1 ILE 41 -7.815 4.962 -3.776 308 2HG1 ILE 41 2HG1 ILE 41 -6.466 5.993 -3.293 309 1HG2 ILE 41 1HG2 ILE 41 -9.991 5.760 -0.917 310 2HG2 ILE 41 2HG2 ILE 41 -9.188 4.304 -1.507 311 3HG2 ILE 41 3HG2 ILE 41 -10.086 5.329 -2.626 312 1HD1 ILE 41 1HD1 ILE 41 -6.603 4.282 -1.190 313 2HD1 ILE 41 2HD1 ILE 41 -5.554 4.078 -2.592 314 3HD1 ILE 41 3HD1 ILE 41 -7.106 3.245 -2.525 315 H HIS 42 H HIS 42 -10.896 7.158 -3.398 316 HA HIS 42 HA HIS 42 -12.044 8.920 -1.333 317 1HB HIS 42 2HB HIS 42 -13.061 8.375 -4.134 318 2HB HIS 42 1HB HIS 42 -13.945 9.280 -2.913 319 HD1 HIS 42 HD1 HIS 42 -12.252 11.370 -1.913 320 HD2 HIS 42 HD2 HIS 42 -11.823 10.055 -5.831 321 HE1 HIS 42 HE1 HIS 42 -11.100 13.245 -3.129 322 HE2 HIS 42 HE2 HIS 42 -10.947 12.469 -5.520 323 H ARG 43 H ARG 43 -14.002 8.208 -0.347 324 HA ARG 43 HA ARG 43 -14.125 5.456 0.201 325 1HB ARG 43 2HB ARG 43 -14.929 7.251 1.715 326 2HB ARG 43 1HB ARG 43 -16.289 7.521 0.639 327 1HG ARG 43 1HG ARG 43 -17.061 5.228 1.067 328 2HG ARG 43 2HG ARG 43 -15.710 4.996 2.178 329 1HD ARG 43 2HD ARG 43 -17.722 5.529 3.416 330 2HD ARG 43 1HD ARG 43 -16.552 6.841 3.565 331 HE ARG 43 HE ARG 43 -18.266 7.415 1.425 332 1HH1 ARG 43 1HH1 ARG 43 -18.399 7.172 4.922 333 2HH1 ARG 43 2HH1 ARG 43 -19.692 8.313 5.066 334 1HH2 ARG 43 1HH2 ARG 43 -19.962 8.909 1.635 335 2HH2 ARG 43 2HH2 ARG 43 -20.577 9.295 3.208 336 H GLY 44 H GLY 44 -14.834 3.843 -1.019 337 1HA GLY 44 2HA GLY 44 -16.710 2.739 -2.051 338 2HA GLY 44 1HA GLY 44 -17.221 4.290 -2.690 339 H GLN 45 H GLN 45 -13.964 4.272 -3.199 340 HA GLN 45 HA GLN 45 -14.344 3.594 -5.984 341 1HB GLN 45 1HB GLN 45 -11.899 4.603 -4.510 342 2HB GLN 45 2HB GLN 45 -11.962 4.294 -6.241 343 1HG GLN 45 2HG GLN 45 -13.895 5.927 -6.327 344 2HG GLN 45 1HG GLN 45 -13.447 6.378 -4.682 345 1HE2 GLN 45 1HE2 GLN 45 -13.148 7.279 -7.773 346 2HE2 GLN 45 2HE2 GLN 45 -11.637 8.114 -7.714 347 H VAL 46 H VAL 46 -13.348 2.000 -7.143 348 HA VAL 46 HA VAL 46 -12.608 -0.389 -5.662 349 HB VAL 46 HB VAL 46 -12.474 -0.113 -8.663 350 1HG1 VAL 46 1HG1 VAL 46 -13.145 -2.524 -8.538 351 2HG1 VAL 46 2HG1 VAL 46 -12.947 -2.418 -6.789 352 3HG1 VAL 46 3HG1 VAL 46 -11.564 -2.149 -7.850 353 1HG2 VAL 46 1HG2 VAL 46 -14.978 -1.228 -7.678 354 2HG2 VAL 46 2HG2 VAL 46 -14.679 -0.067 -8.975 355 3HG2 VAL 46 3HG2 VAL 46 -14.781 0.484 -7.300 356 H VAL 47 H VAL 47 -10.534 -0.885 -5.178 357 HA VAL 47 HA VAL 47 -8.423 0.347 -6.820 358 HB VAL 47 HB VAL 47 -8.077 -0.190 -3.873 359 1HG1 VAL 47 1HG1 VAL 47 -6.579 1.746 -5.617 360 2HG1 VAL 47 2HG1 VAL 47 -6.106 0.053 -5.465 361 3HG1 VAL 47 3HG1 VAL 47 -6.118 1.097 -4.043 362 1HG2 VAL 47 1HG2 VAL 47 -9.504 2.010 -5.159 363 2HG2 VAL 47 2HG2 VAL 47 -8.195 2.544 -4.103 364 3HG2 VAL 47 3HG2 VAL 47 -9.476 1.513 -3.467 365 H TYR 48 H TYR 48 -7.271 -1.082 -7.855 366 HA TYR 48 HA TYR 48 -7.221 -3.872 -7.055 367 1HB TYR 48 2HB TYR 48 -6.182 -2.372 -9.462 368 2HB TYR 48 1HB TYR 48 -5.771 -4.052 -9.180 369 HD1 TYR 48 HD1 TYR 48 -6.780 -5.185 -10.914 370 HD2 TYR 48 HD2 TYR 48 -9.108 -2.357 -8.740 371 HE1 TYR 48 HE1 TYR 48 -8.785 -5.893 -12.143 372 HE2 TYR 48 HE2 TYR 48 -11.114 -3.062 -9.968 373 HH TYR 48 HH TYR 48 -11.974 -4.547 -11.398 374 H VAL 49 H VAL 49 -5.655 -4.729 -5.836 375 HA VAL 49 HA VAL 49 -3.300 -3.147 -5.190 376 HB VAL 49 HB VAL 49 -4.077 -5.875 -4.128 377 1HG1 VAL 49 1HG1 VAL 49 -2.620 -5.206 -2.214 378 2HG1 VAL 49 2HG1 VAL 49 -2.106 -3.808 -3.160 379 3HG1 VAL 49 3HG1 VAL 49 -1.755 -5.440 -3.733 380 1HG2 VAL 49 1HG2 VAL 49 -5.838 -4.271 -3.646 381 2HG2 VAL 49 2HG2 VAL 49 -4.655 -3.143 -2.983 382 3HG2 VAL 49 3HG2 VAL 49 -4.960 -4.680 -2.172 383 H PHE 50 H PHE 50 -1.421 -3.363 -6.217 384 HA PHE 50 HA PHE 50 -0.974 -5.752 -7.858 385 1HB PHE 50 2HB PHE 50 0.074 -2.941 -8.036 386 2HB PHE 50 1HB PHE 50 0.889 -4.264 -8.862 387 HD1 PHE 50 HD1 PHE 50 -2.451 -2.622 -8.566 388 HD2 PHE 50 HD2 PHE 50 0.219 -4.906 -10.970 389 HE1 PHE 50 HE1 PHE 50 -3.989 -2.407 -10.474 390 HE2 PHE 50 HE2 PHE 50 -1.314 -4.692 -12.880 391 HZ PHE 50 HZ PHE 50 -3.420 -3.441 -12.634 392 H SER 51 H SER 51 0.246 -4.102 -5.060 393 HA SER 51 HA SER 51 2.164 -6.234 -4.650 394 1HB SER 51 2HB SER 51 4.072 -4.691 -4.269 395 2HB SER 51 1HB SER 51 3.531 -4.707 -5.946 396 HG SER 51 HG SER 51 3.922 -2.588 -4.798 397 H LYS 52 H LYS 52 2.687 -6.609 -2.560 398 HA LYS 52 HA LYS 52 1.566 -4.776 -0.528 399 1HB LYS 52 2HB LYS 52 1.846 -7.764 -0.173 400 2HB LYS 52 1HB LYS 52 0.994 -6.639 0.862 401 1HG LYS 52 1HG LYS 52 -0.686 -6.282 -0.839 402 2HG LYS 52 2HG LYS 52 0.190 -7.334 -1.954 403 1HD LYS 52 1HD LYS 52 -0.137 -9.221 -0.426 404 2HD LYS 52 2HD LYS 52 -1.008 -8.167 0.690 405 1HE LYS 52 2HE LYS 52 -2.707 -7.757 -1.023 406 2HE LYS 52 1HE LYS 52 -1.834 -8.811 -2.140 407 1HZ LYS 52 1HZ LYS 52 -2.678 -9.849 0.480 408 2HZ LYS 52 2HZ LYS 52 -2.414 -10.683 -0.967 409 3HZ LYS 52 3HZ LYS 52 -3.806 -9.741 -0.776 410 H LEU 53 H LEU 53 3.207 -3.769 0.464 411 HA LEU 53 HA LEU 53 5.885 -4.685 0.356 412 1HB LEU 53 1HB LEU 53 4.741 -2.589 2.201 413 2HB LEU 53 2HB LEU 53 6.427 -2.782 1.748 414 HG LEU 53 HG LEU 53 4.210 -2.037 -0.171 415 1HD1 LEU 53 1HD2 LEU 53 4.616 0.153 0.183 416 2HD1 LEU 53 2HD2 LEU 53 6.324 -0.107 0.538 417 3HD1 LEU 53 3HD2 LEU 53 5.106 -0.428 1.774 418 1HD2 LEU 53 1HD1 LEU 53 6.968 -2.843 -0.548 419 2HD2 LEU 53 2HD1 LEU 53 6.653 -1.239 -1.206 420 3HD2 LEU 53 3HD1 LEU 53 5.685 -2.615 -1.738 421 H LYS 54 H LYS 54 7.298 -5.299 2.018 422 HA LYS 54 HA LYS 54 6.004 -6.589 4.337 423 1HB LYS 54 1HB LYS 54 8.402 -7.526 2.747 424 2HB LYS 54 2HB LYS 54 7.842 -8.271 4.235 425 1HG LYS 54 2HG LYS 54 5.752 -8.883 3.171 426 2HG LYS 54 1HG LYS 54 6.248 -8.064 1.689 427 1HD LYS 54 1HD LYS 54 6.684 -10.346 1.316 428 2HD LYS 54 2HD LYS 54 8.251 -9.626 1.668 429 1HE LYS 54 2HE LYS 54 8.099 -10.425 3.978 430 2HE LYS 54 1HE LYS 54 6.530 -11.146 3.625 431 1HZ LYS 54 1HZ LYS 54 8.166 -12.844 3.497 432 2HZ LYS 54 2HZ LYS 54 9.154 -11.921 2.480 433 3HZ LYS 54 3HZ LYS 54 7.675 -12.511 1.912 434 H GLY 55 H GLY 55 7.910 -7.197 5.990 435 1HA GLY 55 2HA GLY 55 9.632 -6.486 7.369 436 2HA GLY 55 1HA GLY 55 9.981 -5.203 6.219 437 H ARG 56 H ARG 56 9.766 -3.258 7.060 438 HA ARG 56 HA ARG 56 8.254 -2.800 9.454 439 1HB ARG 56 2HB ARG 56 9.015 -0.452 9.220 440 2HB ARG 56 1HB ARG 56 10.334 -1.613 9.175 441 1HG ARG 56 1HG ARG 56 10.412 -1.429 6.738 442 2HG ARG 56 2HG ARG 56 9.097 -0.255 6.790 443 1HD ARG 56 2HD ARG 56 11.791 0.082 8.102 444 2HD ARG 56 1HD ARG 56 11.303 0.816 6.577 445 HE ARG 56 HE ARG 56 9.439 1.531 8.537 446 1HH1 ARG 56 1HH1 ARG 56 12.804 2.140 7.755 447 2HH1 ARG 56 2HH1 ARG 56 12.814 3.700 8.504 448 1HH2 ARG 56 1HH2 ARG 56 9.473 3.579 9.513 449 2HH2 ARG 56 2HH2 ARG 56 10.930 4.515 9.500 450 H GLY 57 H GLY 57 7.612 -2.653 6.108 451 1HA GLY 57 1HA GLY 57 5.235 -0.963 6.521 452 2HA GLY 57 2HA GLY 57 5.990 -1.291 4.967 453 H ARG 58 H ARG 58 5.005 -3.451 7.600 454 HA ARG 58 HA ARG 58 3.959 -5.438 5.882 455 1HB ARG 58 1HB ARG 58 4.817 -5.832 8.186 456 2HB ARG 58 2HB ARG 58 3.409 -5.019 8.830 457 1HG ARG 58 1HG ARG 58 3.010 -7.326 9.039 458 2HG ARG 58 2HG ARG 58 2.031 -6.775 7.686 459 1HD ARG 58 2HD ARG 58 3.077 -8.883 7.133 460 2HD ARG 58 1HD ARG 58 3.735 -7.597 6.122 461 HE ARG 58 HE ARG 58 5.387 -7.863 8.355 462 1HH1 ARG 58 1HH1 ARG 58 4.480 -9.750 5.541 463 2HH1 ARG 58 2HH1 ARG 58 5.989 -10.593 5.479 464 1HH2 ARG 58 1HH2 ARG 58 7.361 -8.979 8.256 465 2HH2 ARG 58 2HH2 ARG 58 7.619 -10.158 7.014 466 H LEU 59 H LEU 59 2.564 -2.616 7.348 467 HA LEU 59 HA LEU 59 -0.125 -3.453 6.530 468 1HB LEU 59 2HB LEU 59 -0.978 -1.649 7.948 469 2HB LEU 59 1HB LEU 59 0.011 -2.774 8.852 470 HG LEU 59 HG LEU 59 1.262 -0.251 7.833 471 1HD1 LEU 59 1HD1 LEU 59 0.103 -0.138 10.535 472 2HD1 LEU 59 2HD1 LEU 59 -1.056 -0.049 9.209 473 3HD1 LEU 59 3HD1 LEU 59 0.260 1.121 9.310 474 1HD2 LEU 59 1HD2 LEU 59 1.770 -1.256 10.546 475 2HD2 LEU 59 2HD2 LEU 59 2.899 -0.723 9.302 476 3HD2 LEU 59 3HD2 LEU 59 2.236 -2.355 9.247 477 H PHE 60 H PHE 60 2.161 -2.323 4.859 478 HA PHE 60 HA PHE 60 0.681 -0.060 3.693 479 1HB PHE 60 2HB PHE 60 3.640 -0.599 3.826 480 2HB PHE 60 1HB PHE 60 2.963 0.500 2.631 481 HD1 PHE 60 HD1 PHE 60 3.118 -0.095 6.313 482 HD2 PHE 60 HD2 PHE 60 2.604 2.720 3.162 483 HE1 PHE 60 HE1 PHE 60 3.177 1.742 7.948 484 HE2 PHE 60 HE2 PHE 60 2.663 4.560 4.792 485 HZ PHE 60 HZ PHE 60 2.951 4.073 7.188 486 H TRP 61 H TRP 61 -0.308 -0.498 1.885 487 HA TRP 61 HA TRP 61 0.728 -2.618 0.125 488 1HB TRP 61 2HB TRP 61 -2.066 -1.656 0.710 489 2HB TRP 61 1HB TRP 61 -1.712 -2.510 -0.786 490 HD1 TRP 61 HD1 TRP 61 0.401 -4.113 1.745 491 HE1 TRP 61 HE1 TRP 61 -0.692 -6.246 2.659 492 HE3 TRP 61 HE3 TRP 61 -4.381 -3.401 0.030 493 HZ2 TRP 61 HZ2 TRP 61 -3.227 -7.465 2.681 494 HZ3 TRP 61 HZ3 TRP 61 -6.077 -5.110 0.556 495 HH2 TRP 61 HH2 TRP 61 -5.507 -7.096 1.851 496 H GLY 62 H GLY 62 -0.229 -2.190 -2.247 497 1HA GLY 62 1HA GLY 62 -0.208 0.605 -3.019 498 2HA GLY 62 2HA GLY 62 1.259 -0.298 -3.493 499 H GLY 63 H GLY 63 -0.872 0.966 -5.122 500 1HA GLY 63 1HA GLY 63 -1.033 -0.897 -7.191 501 2HA GLY 63 2HA GLY 63 -2.533 -1.006 -6.282 502 H SER 64 H SER 64 -3.695 -0.284 -8.112 503 HA SER 64 HA SER 64 -3.558 2.632 -8.495 504 1HB SER 64 1HB SER 64 -4.048 2.345 -10.890 505 2HB SER 64 2HB SER 64 -2.530 1.560 -10.456 506 HG SER 64 HG SER 64 -4.042 -0.368 -10.164 507 H VAL 65 H VAL 65 -5.566 3.638 -9.068 508 HA VAL 65 HA VAL 65 -7.866 2.178 -8.014 509 HB VAL 65 HB VAL 65 -7.551 5.122 -8.640 510 1HG1 VAL 65 1HG2 VAL 65 -9.897 3.517 -7.727 511 2HG1 VAL 65 2HG2 VAL 65 -9.835 4.876 -8.851 512 3HG1 VAL 65 3HG2 VAL 65 -9.692 5.157 -7.114 513 1HG2 VAL 65 1HG1 VAL 65 -6.494 3.745 -6.545 514 2HG2 VAL 65 2HG1 VAL 65 -8.042 4.270 -5.884 515 3HG2 VAL 65 3HG1 VAL 65 -6.906 5.459 -6.522 516 H GLN 66 H GLN 66 -9.322 1.302 -9.272 517 HA GLN 66 HA GLN 66 -9.563 2.216 -12.051 518 1HB GLN 66 1HB GLN 66 -8.941 -0.168 -11.765 519 2HB GLN 66 2HB GLN 66 -10.421 -0.432 -10.854 520 1HG GLN 66 2HG GLN 66 -11.746 0.145 -12.805 521 2HG GLN 66 1HG GLN 66 -10.271 0.457 -13.727 522 1HE2 GLN 66 1HE2 GLN 66 -12.644 -1.703 -13.267 523 2HE2 GLN 66 2HE2 GLN 66 -11.831 -3.163 -13.712 524 H GLY 67 H GLY 67 -10.807 4.004 -11.230 525 1HA GLY 67 1HA GLY 67 -13.631 3.274 -10.803 526 2HA GLY 67 2HA GLY 67 -12.866 4.517 -9.824 527 H ASP 68 H ASP 68 -13.392 3.629 -13.218 528 HA ASP 68 HA ASP 68 -13.945 4.803 -15.070 529 1HB ASP 68 2HB ASP 68 -14.988 6.793 -13.048 530 2HB ASP 68 1HB ASP 68 -15.276 6.907 -14.784 531 H TYR 69 H TYR 69 -11.607 4.917 -15.379 532 HA TYR 69 HA TYR 69 -10.631 7.697 -15.333 533 1HB TYR 69 2HB TYR 69 -9.135 5.128 -14.845 534 2HB TYR 69 1HB TYR 69 -8.299 6.579 -15.383 535 HD1 TYR 69 HD1 TYR 69 -7.534 8.107 -13.815 536 HD2 TYR 69 HD2 TYR 69 -10.572 5.360 -12.672 537 HE1 TYR 69 HE1 TYR 69 -7.345 8.874 -11.487 538 HE2 TYR 69 HE2 TYR 69 -10.395 6.125 -10.343 539 HH TYR 69 HH TYR 69 -8.632 8.926 -9.455 540 H TYR 70 H TYR 70 -11.039 8.386 -17.335 541 HA TYR 70 HA TYR 70 -10.319 6.675 -19.604 542 1HB TYR 70 1HB TYR 70 -11.647 8.395 -20.946 543 2HB TYR 70 2HB TYR 70 -12.558 7.368 -19.848 544 HD1 TYR 70 HD1 TYR 70 -14.030 8.311 -18.323 545 HD2 TYR 70 HD2 TYR 70 -11.033 10.782 -20.066 546 HE1 TYR 70 HE1 TYR 70 -15.072 10.288 -17.302 547 HE2 TYR 70 HE2 TYR 70 -12.067 12.764 -19.042 548 HH TYR 70 HH TYR 70 -14.188 12.671 -16.582 549 H GLY 71 H GLY 71 -8.988 9.107 -17.801 550 1HA GLY 71 1HA GLY 71 -7.625 10.391 -20.058 551 2HA GLY 71 2HA GLY 71 -7.607 10.945 -18.390 552 H ASP 72 H ASP 72 -5.747 10.698 -17.388 553 HA ASP 72 HA ASP 72 -4.198 8.267 -17.665 554 1HB ASP 72 1HB ASP 72 -3.426 9.768 -19.539 555 2HB ASP 72 2HB ASP 72 -2.900 10.925 -18.321 556 H LEU 73 H LEU 73 -4.284 7.818 -15.536 557 HA LEU 73 HA LEU 73 -2.773 9.518 -13.731 558 1HB LEU 73 2HB LEU 73 -5.284 10.172 -13.714 559 2HB LEU 73 1HB LEU 73 -5.535 8.653 -12.889 560 HG LEU 73 HG LEU 73 -5.455 10.679 -11.415 561 1HD1 LEU 73 1HD2 LEU 73 -4.795 9.429 -9.690 562 2HD1 LEU 73 2HD2 LEU 73 -3.212 9.103 -10.396 563 3HD1 LEU 73 3HD2 LEU 73 -4.613 8.157 -10.898 564 1HD2 LEU 73 1HD1 LEU 73 -2.483 10.677 -11.673 565 2HD2 LEU 73 2HD1 LEU 73 -3.559 11.918 -11.028 566 3HD2 LEU 73 3HD1 LEU 73 -3.469 11.646 -12.769 567 H ALA 74 H ALA 74 -4.848 6.623 -13.968 568 HA ALA 74 HA ALA 74 -3.306 5.233 -11.947 569 1HB ALA 74 1HB ALA 74 -5.757 4.939 -12.131 570 2HB ALA 74 2HB ALA 74 -4.875 3.416 -12.244 571 3HB ALA 74 3HB ALA 74 -5.523 4.170 -13.701 572 H ALA 75 H ALA 75 -1.270 5.451 -13.161 573 HA ALA 75 HA ALA 75 -0.747 3.056 -14.702 574 1HB ALA 75 1HB ALA 75 -1.033 4.101 -16.670 575 2HB ALA 75 2HB ALA 75 0.551 4.799 -16.330 576 3HB ALA 75 3HB ALA 75 -0.912 5.708 -15.951 577 H ARG 76 H ARG 76 0.377 5.959 -13.099 578 HA ARG 76 HA ARG 76 3.136 5.126 -13.169 579 1HB ARG 76 1HB ARG 76 3.559 7.176 -11.810 580 2HB ARG 76 2HB ARG 76 2.766 7.482 -13.345 581 1HG ARG 76 2HG ARG 76 1.512 8.832 -12.032 582 2HG ARG 76 1HG ARG 76 0.592 7.343 -11.827 583 1HD ARG 76 2HD ARG 76 1.780 6.887 -9.743 584 2HD ARG 76 1HD ARG 76 2.737 8.350 -9.956 585 HE ARG 76 HE ARG 76 1.003 9.548 -9.094 586 1HH1 ARG 76 1HH1 ARG 76 -0.296 6.454 -10.130 587 2HH1 ARG 76 2HH1 ARG 76 -1.878 6.786 -9.514 588 1HH2 ARG 76 1HH2 ARG 76 -1.076 9.956 -8.293 589 2HH2 ARG 76 2HH2 ARG 76 -2.319 8.765 -8.475 590 H LEU 77 H LEU 77 0.527 4.362 -11.323 591 HA LEU 77 HA LEU 77 0.160 3.159 -9.452 592 1HB LEU 77 2HB LEU 77 3.072 2.549 -9.841 593 2HB LEU 77 1HB LEU 77 2.169 1.883 -8.495 594 HG LEU 77 HG LEU 77 1.295 1.495 -11.355 595 1HD1 LEU 77 1HD1 LEU 77 3.675 0.558 -10.369 596 2HD1 LEU 77 2HD1 LEU 77 2.751 -0.166 -11.686 597 3HD1 LEU 77 3HD1 LEU 77 2.567 -0.775 -10.041 598 1HD2 LEU 77 1HD2 LEU 77 0.538 0.386 -8.688 599 2HD2 LEU 77 2HD2 LEU 77 0.357 -0.618 -10.129 600 3HD2 LEU 77 3HD2 LEU 77 -0.494 0.925 -10.017 601 H GLY 78 H GLY 78 -0.065 3.418 -7.319 602 1HA GLY 78 1HA GLY 78 1.715 5.329 -5.947 603 2HA GLY 78 2HA GLY 78 -0.032 5.513 -5.861 604 H TYR 79 H TYR 79 1.178 5.339 -3.503 605 HA TYR 79 HA TYR 79 0.676 2.571 -2.633 606 1HB TYR 79 2HB TYR 79 2.773 4.507 -1.642 607 2HB TYR 79 1HB TYR 79 2.321 3.052 -0.753 608 HD1 TYR 79 HD1 TYR 79 3.913 4.318 -3.839 609 HD2 TYR 79 HD2 TYR 79 3.051 0.881 -1.482 610 HE1 TYR 79 HE1 TYR 79 5.495 3.008 -5.184 611 HE2 TYR 79 HE2 TYR 79 4.632 -0.438 -2.827 612 HH TYR 79 HH TYR 79 6.903 0.897 -4.835 613 H PHE 80 H PHE 80 -0.510 2.236 -0.815 614 HA PHE 80 HA PHE 80 -1.515 4.509 0.717 615 1HB PHE 80 2HB PHE 80 -3.882 3.730 0.368 616 2HB PHE 80 1HB PHE 80 -3.122 4.370 -1.087 617 HD1 PHE 80 HD1 PHE 80 -4.370 1.335 0.577 618 HD2 PHE 80 HD2 PHE 80 -2.650 2.942 -2.972 619 HE1 PHE 80 HE1 PHE 80 -4.919 -0.737 -0.625 620 HE2 PHE 80 HE2 PHE 80 -3.199 0.871 -4.176 621 HZ PHE 80 HZ PHE 80 -4.333 -0.972 -3.004 622 HA PRO 81 HA PRO 81 -1.364 1.491 4.014 623 1HB PRO 81 2HB PRO 81 -3.553 2.745 5.461 624 2HB PRO 81 1HB PRO 81 -1.828 2.761 5.834 625 1HG PRO 81 2HG PRO 81 -3.189 4.970 5.029 626 2HG PRO 81 1HG PRO 81 -1.467 4.717 4.694 627 1HD PRO 81 2HD PRO 81 -3.829 4.303 2.895 628 2HD PRO 81 1HD PRO 81 -2.249 5.030 2.531 629 H SER 82 H SER 82 -2.260 -0.464 4.415 630 HA SER 82 HA SER 82 -4.503 -1.362 2.969 631 1HB SER 82 2HB SER 82 -4.212 -3.467 4.204 632 2HB SER 82 1HB SER 82 -2.661 -2.839 3.655 633 HG SER 82 HG SER 82 -2.595 -1.846 5.858 634 H SER 83 H SER 83 -4.284 0.231 5.984 635 HA SER 83 HA SER 83 -6.534 -0.804 7.319 636 1HB SER 83 2HB SER 83 -4.791 0.479 8.459 637 2HB SER 83 1HB SER 83 -5.252 1.924 7.559 638 HG SER 83 HG SER 83 -6.409 0.789 9.764 639 H ILE 84 H ILE 84 -6.328 1.487 4.679 640 HA ILE 84 HA ILE 84 -9.031 2.457 5.208 641 HB ILE 84 HB ILE 84 -8.765 3.957 3.327 642 1HG1 ILE 84 1HG1 ILE 84 -5.919 3.017 3.033 643 2HG1 ILE 84 2HG1 ILE 84 -7.224 2.333 2.061 644 1HG2 ILE 84 1HG2 ILE 84 -7.990 4.604 5.562 645 2HG2 ILE 84 2HG2 ILE 84 -7.072 5.390 4.280 646 3HG2 ILE 84 3HG2 ILE 84 -6.374 4.028 5.157 647 1HD1 ILE 84 1HD1 ILE 84 -5.799 4.810 1.750 648 2HD1 ILE 84 2HD1 ILE 84 -7.542 5.068 1.832 649 3HD1 ILE 84 3HD1 ILE 84 -6.868 3.970 0.626 650 H VAL 85 H VAL 85 -7.737 -0.188 3.630 651 HA VAL 85 HA VAL 85 -10.134 -0.356 1.916 652 HB VAL 85 HB VAL 85 -8.802 -1.694 0.282 653 1HG1 VAL 85 1HG1 VAL 85 -8.449 1.183 0.810 654 2HG1 VAL 85 2HG1 VAL 85 -9.046 0.353 -0.627 655 3HG1 VAL 85 3HG1 VAL 85 -7.311 0.462 -0.328 656 1HG2 VAL 85 1HG2 VAL 85 -6.669 -2.265 0.604 657 2HG2 VAL 85 2HG2 VAL 85 -6.884 -1.746 2.276 658 3HG2 VAL 85 3HG2 VAL 85 -6.222 -0.627 1.084 659 H ARG 86 H ARG 86 -10.729 -2.570 1.283 660 HA ARG 86 HA ARG 86 -9.857 -4.678 3.102 661 1HB ARG 86 1HB ARG 86 -11.750 -3.549 4.238 662 2HB ARG 86 2HB ARG 86 -12.762 -3.867 2.837 663 1HG ARG 86 1HG ARG 86 -12.524 -6.273 3.208 664 2HG ARG 86 2HG ARG 86 -11.507 -5.952 4.614 665 1HD ARG 86 1HD ARG 86 -13.363 -4.776 5.688 666 2HD ARG 86 2HD ARG 86 -14.379 -5.094 4.283 667 HE ARG 86 HE ARG 86 -13.398 -7.534 5.234 668 1HH1 ARG 86 1HH1 ARG 86 -15.605 -5.003 6.249 669 2HH1 ARG 86 2HH1 ARG 86 -16.580 -6.075 7.195 670 1HH2 ARG 86 1HH2 ARG 86 -14.690 -8.924 6.480 671 2HH2 ARG 86 2HH2 ARG 86 -16.063 -8.293 7.327 672 H GLU 87 H GLU 87 -9.293 -6.261 1.757 673 HA GLU 87 HA GLU 87 -10.552 -6.540 -0.816 674 1HB GLU 87 2HB GLU 87 -8.959 -8.474 -1.108 675 2HB GLU 87 1HB GLU 87 -8.226 -6.890 -0.895 676 1HG GLU 87 1HG GLU 87 -7.319 -7.419 1.078 677 2HG GLU 87 2HG GLU 87 -8.670 -8.446 1.541 678 H ASP 88 H ASP 88 -11.942 -8.053 -1.488 679 HA ASP 88 HA ASP 88 -12.782 -10.087 0.464 680 1HB ASP 88 1HB ASP 88 -14.559 -8.413 -1.322 681 2HB ASP 88 2HB ASP 88 -15.112 -9.775 -0.353 682 H GLN 89 H GLN 89 -11.959 -9.289 -2.800 683 HA GLN 89 HA GLN 89 -12.417 -12.115 -3.530 684 1HB GLN 89 2HB GLN 89 -14.209 -10.595 -4.430 685 2HB GLN 89 1HB GLN 89 -12.971 -9.803 -5.387 686 1HG GLN 89 2HG GLN 89 -13.123 -12.725 -5.676 687 2HG GLN 89 1HG GLN 89 -14.514 -11.820 -6.269 688 1HE2 GLN 89 1HE2 GLN 89 -11.696 -13.134 -7.183 689 2HE2 GLN 89 2HE2 GLN 89 -11.299 -12.121 -8.526 690 H THR 90 H THR 90 -10.555 -13.028 -4.001 691 HA THR 90 HA THR 90 -8.245 -11.469 -4.813 692 HB THR 90 HB THR 90 -8.460 -14.466 -4.469 693 HG1 THR 90 HG1 THR 90 -9.020 -13.548 -2.529 694 1HG2 THR 90 1HG2 THR 90 -6.414 -13.990 -5.537 695 2HG2 THR 90 2HG2 THR 90 -6.048 -14.241 -3.830 696 3HG2 THR 90 3HG2 THR 90 -6.109 -12.606 -4.487 697 H LEU 91 H LEU 91 -7.586 -11.185 -6.826 698 HA LEU 91 HA LEU 91 -9.029 -12.422 -9.015 699 1HB LEU 91 1HB LEU 91 -6.794 -10.401 -9.146 700 2HB LEU 91 2HB LEU 91 -7.944 -10.788 -10.409 701 HG LEU 91 HG LEU 91 -8.812 -9.593 -7.785 702 1HD1 LEU 91 1HD2 LEU 91 -7.113 -8.333 -9.554 703 2HD1 LEU 91 2HD2 LEU 91 -8.146 -7.554 -8.355 704 3HD1 LEU 91 3HD2 LEU 91 -8.712 -7.746 -10.014 705 1HD2 LEU 91 1HD1 LEU 91 -10.531 -8.696 -9.638 706 2HD2 LEU 91 2HD1 LEU 91 -10.762 -10.192 -8.732 707 3HD2 LEU 91 3HD1 LEU 91 -10.085 -10.243 -10.360 708 H LYS 92 H LYS 92 -5.698 -12.296 -7.807 709 HA LYS 92 HA LYS 92 -5.083 -14.756 -9.240 710 1HB LYS 92 2HB LYS 92 -4.559 -12.875 -10.799 711 2HB LYS 92 1HB LYS 92 -3.398 -12.270 -9.631 712 1HG LYS 92 1HG LYS 92 -1.856 -13.524 -10.617 713 2HG LYS 92 2HG LYS 92 -2.708 -14.952 -10.031 714 1HD LYS 92 1HD LYS 92 -3.401 -13.565 -12.607 715 2HD LYS 92 2HD LYS 92 -2.234 -14.880 -12.520 716 1HE LYS 92 2HE LYS 92 -3.970 -16.355 -11.607 717 2HE LYS 92 1HE LYS 92 -5.139 -15.038 -11.707 718 1HZ LYS 92 1HZ LYS 92 -3.731 -16.314 -13.991 719 2HZ LYS 92 2HZ LYS 92 -4.783 -14.996 -14.119 720 3HZ LYS 92 3HZ LYS 92 -5.366 -16.494 -13.593 721 HA PRO 93 HA PRO 93 -3.047 -15.733 -5.335 722 1HB PRO 93 1HB PRO 93 -1.175 -17.160 -7.182 723 2HB PRO 93 2HB PRO 93 -1.914 -17.722 -5.683 724 1HG PRO 93 1HG PRO 93 -2.872 -18.525 -8.013 725 2HG PRO 93 2HG PRO 93 -3.980 -18.093 -6.695 726 1HD PRO 93 2HD PRO 93 -3.285 -16.571 -9.164 727 2HD PRO 93 1HD PRO 93 -4.819 -16.663 -8.282 728 H GLY 94 H GLY 94 -1.714 -14.471 -4.231 729 1HA GLY 94 1HA GLY 94 0.557 -13.202 -5.623 730 2HA GLY 94 2HA GLY 94 -0.221 -12.577 -4.173 731 H LYS 95 H LYS 95 1.724 -15.213 -5.419 732 HA LYS 95 HA LYS 95 2.877 -15.563 -2.745 733 1HB LYS 95 1HB LYS 95 3.359 -17.959 -3.583 734 2HB LYS 95 2HB LYS 95 1.735 -17.549 -3.048 735 1HG LYS 95 2HG LYS 95 0.966 -17.347 -5.300 736 2HG LYS 95 1HG LYS 95 2.609 -17.521 -5.924 737 1HD LYS 95 2HD LYS 95 1.213 -19.656 -4.318 738 2HD LYS 95 1HD LYS 95 1.138 -19.575 -6.076 739 1HE LYS 95 2HE LYS 95 3.660 -19.834 -4.435 740 2HE LYS 95 1HE LYS 95 2.858 -21.149 -5.292 741 1HZ LYS 95 1HZ LYS 95 3.160 -19.448 -7.283 742 2HZ LYS 95 2HZ LYS 95 4.358 -20.566 -6.861 743 3HZ LYS 95 3HZ LYS 95 4.478 -18.962 -6.339 744 H VAL 96 H VAL 96 3.755 -13.877 -5.095 745 HA VAL 96 HA VAL 96 6.440 -15.062 -5.452 746 HB VAL 96 HB VAL 96 5.081 -13.025 -7.241 747 1HG1 VAL 96 1HG1 VAL 96 7.725 -14.457 -7.472 748 2HG1 VAL 96 2HG1 VAL 96 7.448 -12.719 -7.354 749 3HG1 VAL 96 3HG1 VAL 96 6.957 -13.594 -8.805 750 1HG2 VAL 96 1HG2 VAL 96 4.288 -15.534 -7.157 751 2HG2 VAL 96 2HG2 VAL 96 5.732 -15.790 -8.135 752 3HG2 VAL 96 3HG2 VAL 96 4.472 -14.689 -8.693 753 H ASP 97 H ASP 97 8.207 -13.901 -4.826 754 HA ASP 97 HA ASP 97 7.704 -11.273 -3.582 755 1HB ASP 97 2HB ASP 97 8.379 -13.140 -2.044 756 2HB ASP 97 1HB ASP 97 9.908 -13.239 -2.909 757 H VAL 98 H VAL 98 8.545 -9.595 -4.586 758 HA VAL 98 HA VAL 98 11.020 -9.932 -6.165 759 HB VAL 98 HB VAL 98 8.768 -8.018 -6.840 760 1HG1 VAL 98 1HG1 VAL 98 11.456 -8.545 -7.970 761 2HG1 VAL 98 2HG1 VAL 98 10.541 -7.040 -7.871 762 3HG1 VAL 98 3HG1 VAL 98 10.149 -8.231 -9.111 763 1HG2 VAL 98 1HG2 VAL 98 8.932 -10.818 -7.344 764 2HG2 VAL 98 2HG2 VAL 98 9.091 -9.956 -8.874 765 3HG2 VAL 98 3HG2 VAL 98 7.687 -9.673 -7.845 766 H LYS 99 H LYS 99 12.629 -8.486 -5.745 767 HA LYS 99 HA LYS 99 12.388 -6.752 -3.468 768 1HB LYS 99 2HB LYS 99 14.635 -7.002 -5.487 769 2HB LYS 99 1HB LYS 99 14.739 -6.174 -3.941 770 1HG LYS 99 2HG LYS 99 14.313 -8.324 -2.811 771 2HG LYS 99 1HG LYS 99 14.311 -9.113 -4.388 772 1HD LYS 99 2HD LYS 99 16.613 -8.380 -4.763 773 2HD LYS 99 1HD LYS 99 16.617 -7.581 -3.189 774 1HE LYS 99 2HE LYS 99 16.257 -9.741 -2.096 775 2HE LYS 99 1HE LYS 99 16.251 -10.537 -3.669 776 1HZ LYS 99 1HZ LYS 99 18.564 -9.413 -3.887 777 2HZ LYS 99 2HZ LYS 99 18.406 -10.841 -2.995 778 3HZ LYS 99 3HZ LYS 99 18.501 -9.354 -2.197 779 H THR 100 H THR 100 12.748 -4.446 -3.457 780 HA THR 100 HA THR 100 11.720 -3.137 -5.881 781 HB THR 100 HB THR 100 11.096 -1.261 -4.424 782 HG1 THR 100 HG1 THR 100 12.719 -2.578 -2.666 783 1HG2 THR 100 1HG2 THR 100 9.435 -3.006 -4.636 784 2HG2 THR 100 2HG2 THR 100 9.417 -2.327 -3.008 785 3HG2 THR 100 3HG2 THR 100 10.170 -3.895 -3.300 786 H ASP 101 H ASP 101 12.785 -1.475 -6.865 787 HA ASP 101 HA ASP 101 15.578 -1.095 -6.072 788 1HB ASP 101 1HB ASP 101 15.899 -0.184 -8.355 789 2HB ASP 101 2HB ASP 101 15.267 -1.824 -8.366 790 H LYS 102 H LYS 102 16.197 1.321 -7.192 791 HA LYS 102 HA LYS 102 15.095 3.136 -5.254 792 1HB LYS 102 2HB LYS 102 16.710 4.755 -6.163 793 2HB LYS 102 1HB LYS 102 17.470 3.225 -5.751 794 1HG LYS 102 2HG LYS 102 17.671 2.608 -8.030 795 2HG LYS 102 1HG LYS 102 16.616 3.922 -8.550 796 1HD LYS 102 2HD LYS 102 19.258 4.389 -7.181 797 2HD LYS 102 1HD LYS 102 19.097 4.260 -8.931 798 1HE LYS 102 2HE LYS 102 17.701 6.289 -7.178 799 2HE LYS 102 1HE LYS 102 19.114 6.598 -8.184 800 1HZ LYS 102 1HZ LYS 102 16.556 5.616 -9.299 801 2HZ LYS 102 2HZ LYS 102 17.865 6.292 -10.127 802 3HZ LYS 102 3HZ LYS 102 16.904 7.262 -9.132 803 H TRP 103 H TRP 103 14.120 2.228 -8.335 804 HA TRP 103 HA TRP 103 13.025 4.850 -9.014 805 1HB TRP 103 2HB TRP 103 12.916 2.271 -10.596 806 2HB TRP 103 1HB TRP 103 12.436 3.862 -11.170 807 HD1 TRP 103 HD1 TRP 103 15.514 1.716 -10.519 808 HE1 TRP 103 HE1 TRP 103 17.572 2.861 -11.554 809 HE3 TRP 103 HE3 TRP 103 13.408 6.204 -11.766 810 HZ2 TRP 103 HZ2 TRP 103 18.221 5.339 -12.732 811 HZ3 TRP 103 HZ3 TRP 103 14.819 7.912 -12.841 812 HH2 TRP 103 HH2 TRP 103 17.177 7.484 -13.312 813 H ASP 104 H ASP 104 12.043 3.136 -6.762 814 HA ASP 104 HA ASP 104 9.247 2.818 -7.626 815 1HB ASP 104 2HB ASP 104 10.850 1.377 -5.524 816 2HB ASP 104 1HB ASP 104 9.092 1.348 -5.515 817 H PHE 105 H PHE 105 11.388 4.492 -5.510 818 HA PHE 105 HA PHE 105 9.184 6.105 -4.542 819 1HB PHE 105 2HB PHE 105 10.332 5.931 -2.151 820 2HB PHE 105 1HB PHE 105 9.067 4.824 -2.656 821 HD1 PHE 105 HD1 PHE 105 12.825 5.020 -2.883 822 HD2 PHE 105 HD2 PHE 105 9.368 2.646 -2.143 823 HE1 PHE 105 HE1 PHE 105 14.257 3.084 -2.404 824 HE2 PHE 105 HE2 PHE 105 10.796 0.710 -1.654 825 HZ PHE 105 HZ PHE 105 13.246 0.927 -1.784 826 H TYR 106 H TYR 106 10.672 7.173 -6.291 827 HA TYR 106 HA TYR 106 12.234 9.162 -4.871 828 1HB TYR 106 2HB TYR 106 13.951 7.518 -5.402 829 2HB TYR 106 1HB TYR 106 13.436 7.467 -7.079 830 HD1 TYR 106 HD1 TYR 106 15.203 8.210 -8.348 831 HD2 TYR 106 HD2 TYR 106 14.197 10.412 -4.836 832 HE1 TYR 106 HE1 TYR 106 16.866 9.917 -8.941 833 HE2 TYR 106 HE2 TYR 106 15.856 12.121 -5.435 834 HH TYR 106 HH TYR 106 16.954 12.819 -7.975 835 H CYS 107 H CYS 107 11.376 11.004 -5.502 836 HA CYS 107 HA CYS 107 10.612 11.350 -8.328 837 1HB CYS 107 1HB CYS 107 9.316 12.475 -5.840 838 2HB CYS 107 2HB CYS 107 8.959 13.056 -7.462 839 H GLN 108 HN GLN 108 11.101 13.307 -9.323 840 HA GLN 108 HA GLN 108 13.020 15.004 -7.877 841 1HB GLN 108 1HB GLN 108 12.870 14.328 -10.818 842 2HB GLN 108 2HB GLN 108 13.975 15.499 -10.122 843 1HG GLN 108 2HG GLN 108 15.006 13.732 -8.778 844 2HG GLN 108 1HG GLN 108 13.900 12.559 -9.490 845 1HE2 GLN 108 1HE2 GLN 108 14.778 11.393 -11.021 846 2HE2 GLN 108 2HE2 GLN 108 16.010 11.899 -12.120 Start of MODEL 8 1 1H MET 1 1HT MET 1 8.243 16.204 -4.341 2 2H MET 1 2HT MET 1 7.001 15.566 -5.294 3 3H MET 1 3HT MET 1 7.461 17.183 -5.479 4 HA MET 1 HA MET 1 8.487 14.881 -6.745 5 1HB MET 1 2HB MET 1 8.749 17.860 -6.957 6 2HB MET 1 1HB MET 1 9.801 16.833 -7.915 7 1HG MET 1 1HG MET 1 7.945 17.490 -9.256 8 2HG MET 1 2HG MET 1 7.797 15.773 -8.905 9 1HE MET 1 1HE MET 1 6.333 14.671 -7.795 10 2HE MET 1 2HE MET 1 4.729 15.141 -8.358 11 3HE MET 1 3HE MET 1 5.120 15.226 -6.640 12 H GLY 2 H GLY 2 9.828 13.686 -5.391 13 1HA GLY 2 2HA GLY 2 12.536 14.127 -5.475 14 2HA GLY 2 1HA GLY 2 12.021 14.869 -3.970 15 HA PRO 3 HA PRO 3 12.533 10.236 -3.373 16 1HB PRO 3 2HB PRO 3 15.094 10.313 -2.228 17 2HB PRO 3 1HB PRO 3 14.681 9.774 -3.852 18 1HG PRO 3 1HG PRO 3 16.176 12.057 -3.151 19 2HG PRO 3 2HG PRO 3 15.620 11.592 -4.761 20 1HD PRO 3 1HD PRO 3 14.524 13.592 -2.896 21 2HD PRO 3 2HD PRO 3 14.387 13.484 -4.659 22 H MET 4 H MET 4 12.775 9.074 -1.316 23 HA MET 4 HA MET 4 12.902 10.641 1.122 24 1HB MET 4 2HB MET 4 10.674 10.328 1.828 25 2HB MET 4 1HB MET 4 10.515 10.768 0.143 26 1HG MET 4 2HG MET 4 10.424 7.942 1.188 27 2HG MET 4 1HG MET 4 9.011 8.933 0.837 28 1HE MET 4 1HE MET 4 8.475 9.400 -2.411 29 2HE MET 4 2HE MET 4 10.102 10.051 -2.623 30 3HE MET 4 3HE MET 4 9.205 10.385 -1.138 31 HA PRO 5 HA PRO 5 14.260 6.786 2.944 32 1HB PRO 5 1HB PRO 5 12.759 6.392 5.185 33 2HB PRO 5 2HB PRO 5 14.049 7.593 5.087 34 1HG PRO 5 2HG PRO 5 11.093 7.961 4.795 35 2HG PRO 5 1HG PRO 5 12.261 8.951 5.690 36 1HD PRO 5 1HD PRO 5 11.355 9.659 3.246 37 2HD PRO 5 2HD PRO 5 13.018 10.009 3.779 38 H LYS 6 H LYS 6 13.944 4.683 2.526 39 HA LYS 6 HA LYS 6 11.610 3.798 1.204 40 1HB LYS 6 1HB LYS 6 13.860 2.156 2.382 41 2HB LYS 6 2HB LYS 6 12.693 1.602 1.190 42 1HG LYS 6 2HG LYS 6 13.544 3.286 -0.391 43 2HG LYS 6 1HG LYS 6 14.749 3.769 0.797 44 1HD LYS 6 1HD LYS 6 14.515 0.959 -0.264 45 2HD LYS 6 2HD LYS 6 15.550 2.184 -0.996 46 1HE LYS 6 2HE LYS 6 16.768 2.418 1.118 47 2HE LYS 6 1HE LYS 6 15.735 1.189 1.847 48 1HZ LYS 6 1HZ LYS 6 18.004 0.483 0.948 49 2HZ LYS 6 2HZ LYS 6 17.300 0.603 -0.585 50 3HZ LYS 6 3HZ LYS 6 16.667 -0.476 0.553 51 H LEU 7 H LEU 7 9.793 2.902 1.929 52 HA LEU 7 HA LEU 7 9.344 2.639 4.760 53 1HB LEU 7 1HB LEU 7 7.527 1.908 2.457 54 2HB LEU 7 2HB LEU 7 7.054 2.030 4.139 55 HG LEU 7 HG LEU 7 8.035 4.361 2.484 56 1HD1 LEU 7 1HD2 LEU 7 5.890 4.896 1.931 57 2HD1 LEU 7 2HD2 LEU 7 5.205 4.078 3.335 58 3HD1 LEU 7 3HD2 LEU 7 5.755 3.137 1.947 59 1HD2 LEU 7 1HD1 LEU 7 6.662 5.501 4.439 60 2HD2 LEU 7 2HD1 LEU 7 8.372 5.105 4.612 61 3HD2 LEU 7 3HD1 LEU 7 7.146 4.039 5.299 62 H ALA 8 H ALA 8 10.006 0.528 2.073 63 HA ALA 8 HA ALA 8 10.349 -1.722 3.886 64 1HB ALA 8 1HB ALA 8 8.586 -2.009 1.457 65 2HB ALA 8 2HB ALA 8 7.973 -1.795 3.096 66 3HB ALA 8 3HB ALA 8 8.924 -3.223 2.689 67 H ASP 9 H ASP 9 10.913 -3.746 2.255 68 HA ASP 9 HA ASP 9 12.957 -2.719 0.395 69 1HB ASP 9 2HB ASP 9 13.952 -3.654 2.460 70 2HB ASP 9 1HB ASP 9 13.152 -5.189 2.136 71 H ARG 10 H ARG 10 11.025 -5.620 1.182 72 HA ARG 10 HA ARG 10 10.791 -6.139 -1.712 73 1HB ARG 10 2HB ARG 10 11.020 -8.171 0.511 74 2HB ARG 10 1HB ARG 10 10.668 -8.559 -1.166 75 1HG ARG 10 2HG ARG 10 12.834 -7.612 -1.825 76 2HG ARG 10 1HG ARG 10 13.187 -7.276 -0.129 77 1HD ARG 10 1HD ARG 10 12.982 -9.677 0.362 78 2HD ARG 10 2HD ARG 10 12.705 -9.987 -1.350 79 HE ARG 10 HE ARG 10 15.104 -8.577 -1.090 80 1HH1 ARG 10 1HH1 ARG 10 13.812 -11.741 -0.304 81 2HH1 ARG 10 2HH1 ARG 10 15.352 -12.523 -0.413 82 1HH2 ARG 10 1HH2 ARG 10 17.115 -9.621 -1.229 83 2HH2 ARG 10 2HH2 ARG 10 17.221 -11.325 -0.936 84 H LYS 11 H LYS 11 8.863 -7.355 -2.342 85 HA LYS 11 HA LYS 11 6.571 -7.090 -0.533 86 1HB LYS 11 2HB LYS 11 5.270 -6.045 -2.378 87 2HB LYS 11 1HB LYS 11 6.601 -5.042 -1.816 88 1HG LYS 11 2HG LYS 11 7.924 -6.136 -3.754 89 2HG LYS 11 1HG LYS 11 6.329 -6.549 -4.380 90 1HD LYS 11 2HD LYS 11 5.695 -4.223 -4.406 91 2HD LYS 11 1HD LYS 11 7.229 -3.772 -3.657 92 1HE LYS 11 2HE LYS 11 8.433 -4.615 -5.606 93 2HE LYS 11 1HE LYS 11 6.905 -5.077 -6.357 94 1HZ LYS 11 1HZ LYS 11 7.650 -2.297 -5.617 95 2HZ LYS 11 2HZ LYS 11 6.257 -2.778 -6.447 96 3HZ LYS 11 3HZ LYS 11 7.773 -2.945 -7.176 97 H LEU 12 H LEU 12 4.531 -7.944 -1.790 98 HA LEU 12 HA LEU 12 5.254 -10.528 -3.007 99 1HB LEU 12 2HB LEU 12 2.855 -9.692 -1.383 100 2HB LEU 12 1HB LEU 12 2.812 -11.110 -2.402 101 HG LEU 12 HG LEU 12 3.190 -11.803 -0.146 102 1HD1 LEU 12 1HD2 LEU 12 4.605 -12.762 -2.128 103 2HD1 LEU 12 2HD2 LEU 12 4.926 -13.259 -0.466 104 3HD1 LEU 12 3HD2 LEU 12 5.949 -12.046 -1.237 105 1HD2 LEU 12 1HD1 LEU 12 4.033 -9.745 0.790 106 2HD2 LEU 12 2HD1 LEU 12 5.541 -9.930 -0.105 107 3HD2 LEU 12 3HD1 LEU 12 5.122 -11.080 1.164 108 H CYS 13 H CYS 13 4.543 -11.008 -4.996 109 HA CYS 13 HA CYS 13 2.486 -9.340 -6.256 110 1HB CYS 13 2HB CYS 13 5.212 -9.937 -7.424 111 2HB CYS 13 1HB CYS 13 3.868 -9.287 -8.351 112 H ALA 14 H ALA 14 1.748 -10.321 -8.358 113 HA ALA 14 HA ALA 14 1.296 -13.146 -7.978 114 1HB ALA 14 1HB ALA 14 -0.433 -11.476 -8.793 115 2HB ALA 14 2HB ALA 14 -0.307 -12.983 -9.703 116 3HB ALA 14 3HB ALA 14 0.415 -11.505 -10.341 117 H ASP 15 H ASP 15 3.229 -11.069 -9.986 118 HA ASP 15 HA ASP 15 4.688 -13.379 -11.018 119 1HB ASP 15 2HB ASP 15 3.507 -11.193 -12.742 120 2HB ASP 15 1HB ASP 15 4.804 -12.251 -13.288 121 H GLN 16 H GLN 16 6.725 -12.548 -12.222 122 HA GLN 16 HA GLN 16 8.237 -10.994 -10.397 123 1HB GLN 16 2HB GLN 16 9.084 -12.839 -11.904 124 2HB GLN 16 1HB GLN 16 8.995 -11.697 -13.237 125 1HG GLN 16 2HG GLN 16 10.605 -10.249 -12.108 126 2HG GLN 16 1HG GLN 16 10.687 -11.383 -10.765 127 1HE2 GLN 16 1HE2 GLN 16 10.393 -13.267 -13.470 128 2HE2 GLN 16 2HE2 GLN 16 12.062 -13.528 -13.810 129 H GLU 17 H GLU 17 6.193 -10.091 -12.966 130 HA GLU 17 HA GLU 17 7.534 -7.572 -13.521 131 1HB GLU 17 2HB GLU 17 4.945 -8.741 -14.556 132 2HB GLU 17 1HB GLU 17 5.603 -7.200 -15.072 133 1HG GLU 17 2HG GLU 17 6.971 -9.865 -15.406 134 2HG GLU 17 1HG GLU 17 6.056 -9.028 -16.657 135 H CYS 18 H CYS 18 5.059 -8.783 -11.444 136 HA CYS 18 HA CYS 18 3.598 -7.838 -9.979 137 1HB CYS 18 1HB CYS 18 5.535 -5.514 -10.166 138 2HB CYS 18 2HB CYS 18 4.238 -5.628 -8.982 139 H SER 19 H SER 19 3.203 -7.558 -12.842 140 HA SER 19 HA SER 19 1.786 -5.034 -13.145 141 1HB SER 19 2HB SER 19 3.310 -5.711 -14.923 142 2HB SER 19 1HB SER 19 2.414 -7.204 -15.125 143 HG SER 19 HG SER 19 1.790 -4.638 -15.950 144 H HIS 20 H HIS 20 1.107 -8.095 -12.071 145 HA HIS 20 HA HIS 20 -1.622 -8.158 -13.125 146 1HB HIS 20 2HB HIS 20 0.215 -10.162 -11.927 147 2HB HIS 20 1HB HIS 20 -1.505 -10.384 -11.640 148 HD1 HIS 20 HD1 HIS 20 -0.879 -12.621 -13.038 149 HD2 HIS 20 HD2 HIS 20 -1.033 -9.070 -15.185 150 HE1 HIS 20 HE1 HIS 20 -1.205 -13.303 -15.422 151 HE2 HIS 20 HE2 HIS 20 -1.362 -11.137 -16.707 152 HA PRO 21 HA PRO 21 -3.194 -6.877 -9.143 153 1HB PRO 21 1HB PRO 21 -5.842 -7.373 -9.569 154 2HB PRO 21 2HB PRO 21 -4.971 -6.023 -10.304 155 1HG PRO 21 1HG PRO 21 -6.050 -8.408 -11.567 156 2HG PRO 21 2HG PRO 21 -5.403 -6.944 -12.322 157 1HD PRO 21 1HD PRO 21 -4.107 -9.533 -11.891 158 2HD PRO 21 2HD PRO 21 -3.599 -8.171 -12.918 159 H ILE 22 H ILE 22 -2.856 -8.001 -7.328 160 HA ILE 22 HA ILE 22 -3.327 -10.796 -7.107 161 HB ILE 22 HB ILE 22 -2.816 -8.855 -4.843 162 1HG1 ILE 22 1HG1 ILE 22 -0.742 -10.519 -6.280 163 2HG1 ILE 22 2HG1 ILE 22 -1.111 -8.861 -6.759 164 1HG2 ILE 22 1HG2 ILE 22 -3.587 -11.449 -4.652 165 2HG2 ILE 22 2HG2 ILE 22 -2.574 -10.629 -3.463 166 3HG2 ILE 22 3HG2 ILE 22 -1.832 -11.631 -4.709 167 1HD1 ILE 22 1HD1 ILE 22 0.759 -8.687 -5.380 168 2HD1 ILE 22 2HD1 ILE 22 0.118 -9.840 -4.210 169 3HD1 ILE 22 3HD1 ILE 22 -0.595 -8.232 -4.346 170 H SER 23 H SER 23 -4.758 -8.098 -5.248 171 HA SER 23 HA SER 23 -7.292 -9.588 -5.191 172 1HB SER 23 2HB SER 23 -7.545 -8.893 -2.779 173 2HB SER 23 1HB SER 23 -6.257 -10.065 -3.073 174 HG SER 23 HG SER 23 -5.773 -8.155 -1.704 175 H MET 24 H MET 24 -9.091 -8.420 -5.392 176 HA MET 24 HA MET 24 -8.854 -5.565 -5.921 177 1HB MET 24 1HB MET 24 -10.094 -7.067 -7.482 178 2HB MET 24 2HB MET 24 -11.246 -7.396 -6.197 179 1HG MET 24 2HG MET 24 -10.761 -4.566 -6.927 180 2HG MET 24 1HG MET 24 -11.669 -5.566 -8.050 181 1HE MET 24 1HE MET 24 -13.511 -7.000 -7.452 182 2HE MET 24 2HE MET 24 -14.891 -6.342 -6.574 183 3HE MET 24 3HE MET 24 -13.747 -7.401 -5.750 184 H ALA 25 H ALA 25 -9.105 -4.198 -4.260 185 HA ALA 25 HA ALA 25 -10.853 -5.033 -2.037 186 1HB ALA 25 1HB ALA 25 -8.568 -4.913 -1.322 187 2HB ALA 25 2HB ALA 25 -9.457 -3.568 -0.606 188 3HB ALA 25 3HB ALA 25 -8.397 -3.289 -1.988 189 H VAL 26 H VAL 26 -12.234 -3.590 -1.094 190 HA VAL 26 HA VAL 26 -12.932 -1.253 -2.742 191 HB VAL 26 HB VAL 26 -14.563 -2.558 -0.544 192 1HG1 VAL 26 1HG2 VAL 26 -15.329 -0.548 -2.662 193 2HG1 VAL 26 2HG2 VAL 26 -15.193 -0.244 -0.930 194 3HG1 VAL 26 3HG2 VAL 26 -16.446 -1.325 -1.539 195 1HG2 VAL 26 1HG1 VAL 26 -14.201 -4.112 -2.397 196 2HG2 VAL 26 2HG1 VAL 26 -14.786 -2.898 -3.533 197 3HG2 VAL 26 3HG1 VAL 26 -15.881 -3.578 -2.330 198 H ALA 27 H ALA 27 -12.879 0.811 -1.957 199 HA ALA 27 HA ALA 27 -11.376 1.301 0.450 200 1HB ALA 27 1HB ALA 27 -10.957 3.321 -0.419 201 2HB ALA 27 2HB ALA 27 -12.651 3.611 -0.820 202 3HB ALA 27 3HB ALA 27 -11.643 2.647 -1.899 203 H LEU 28 H LEU 28 -12.087 1.864 2.393 204 HA LEU 28 HA LEU 28 -14.973 2.021 2.822 205 1HB LEU 28 2HB LEU 28 -12.679 1.532 4.716 206 2HB LEU 28 1HB LEU 28 -14.352 1.668 5.225 207 HG LEU 28 HG LEU 28 -13.374 -0.426 3.282 208 1HD1 LEU 28 1HD2 LEU 28 -13.481 -0.407 6.265 209 2HD1 LEU 28 2HD2 LEU 28 -12.237 -1.043 5.189 210 3HD1 LEU 28 3HD2 LEU 28 -13.763 -1.907 5.382 211 1HD2 LEU 28 1HD1 LEU 28 -15.942 -0.053 4.809 212 2HD2 LEU 28 2HD1 LEU 28 -15.492 -1.558 4.009 213 3HD2 LEU 28 3HD1 LEU 28 -15.718 -0.089 3.060 214 H GLN 29 H GLN 29 -12.245 4.100 2.746 215 HA GLN 29 HA GLN 29 -13.895 6.302 3.654 216 1HB GLN 29 1HB GLN 29 -12.184 7.110 5.291 217 2HB GLN 29 2HB GLN 29 -13.033 5.652 5.779 218 1HG GLN 29 2HG GLN 29 -11.128 4.294 5.157 219 2HG GLN 29 1HG GLN 29 -10.279 5.717 4.562 220 1HE2 GLN 29 1HE2 GLN 29 -11.701 7.027 7.109 221 2HE2 GLN 29 2HE2 GLN 29 -10.564 6.667 8.350 222 H ASP 30 H ASP 30 -12.391 8.390 3.757 223 HA ASP 30 HA ASP 30 -11.250 8.627 1.094 224 1HB ASP 30 1HB ASP 30 -11.812 10.710 3.216 225 2HB ASP 30 2HB ASP 30 -11.229 11.059 1.592 226 H TYR 31 H TYR 31 -9.203 9.529 0.664 227 HA TYR 31 HA TYR 31 -7.286 9.847 2.813 228 1HB TYR 31 2HB TYR 31 -7.341 7.363 2.140 229 2HB TYR 31 1HB TYR 31 -6.652 7.884 0.610 230 HD1 TYR 31 HD1 TYR 31 -4.357 7.883 0.380 231 HD2 TYR 31 HD2 TYR 31 -6.009 8.247 4.286 232 HE1 TYR 31 HE1 TYR 31 -2.095 7.811 1.338 233 HE2 TYR 31 HE2 TYR 31 -3.749 8.176 5.253 234 HH TYR 31 HH TYR 31 -1.196 7.047 3.882 235 H MET 32 H MET 32 -5.880 11.433 2.326 236 HA MET 32 HA MET 32 -5.740 12.360 -0.460 237 1HB MET 32 2HB MET 32 -5.418 13.774 2.172 238 2HB MET 32 1HB MET 32 -4.713 14.444 0.709 239 1HG MET 32 1HG MET 32 -6.833 15.471 1.121 240 2HG MET 32 2HG MET 32 -6.913 14.481 -0.327 241 1HE MET 32 1HE MET 32 -8.913 13.549 3.702 242 2HE MET 32 2HE MET 32 -7.626 14.718 3.404 243 3HE MET 32 3HE MET 32 -7.254 12.995 3.469 244 H ALA 33 H ALA 33 -3.849 12.351 -1.541 245 HA ALA 33 HA ALA 33 -1.610 10.984 -0.321 246 1HB ALA 33 1HB ALA 33 -0.675 11.363 -2.725 247 2HB ALA 33 2HB ALA 33 -2.350 11.771 -3.091 248 3HB ALA 33 3HB ALA 33 -1.954 10.183 -2.435 249 HA PRO 34 HA PRO 34 0.418 14.983 0.421 250 1HB PRO 34 2HB PRO 34 2.362 13.591 2.030 251 2HB PRO 34 1HB PRO 34 1.084 14.685 2.560 252 1HG PRO 34 2HG PRO 34 1.123 12.006 3.105 253 2HG PRO 34 1HG PRO 34 -0.360 12.977 3.022 254 1HD PRO 34 2HD PRO 34 0.837 11.157 0.963 255 2HD PRO 34 1HD PRO 34 -0.864 11.366 1.432 256 H ASP 35 H ASP 35 2.402 12.026 0.116 257 HA ASP 35 HA ASP 35 4.438 13.467 -1.386 258 1HB ASP 35 2HB ASP 35 4.887 11.767 0.495 259 2HB ASP 35 1HB ASP 35 4.458 10.538 -0.684 260 H CYS 36 H CYS 36 5.325 12.469 -3.362 261 HA CYS 36 HA CYS 36 3.376 12.146 -5.364 262 1HB CYS 36 2HB CYS 36 5.563 13.053 -5.862 263 2HB CYS 36 1HB CYS 36 6.341 11.553 -5.370 264 H ARG 37 H ARG 37 5.157 9.782 -3.466 265 HA ARG 37 HA ARG 37 4.464 7.568 -5.147 266 1HB ARG 37 2HB ARG 37 5.458 6.166 -3.406 267 2HB ARG 37 1HB ARG 37 6.511 7.500 -3.849 268 1HG ARG 37 1HG ARG 37 5.920 8.696 -1.842 269 2HG ARG 37 2HG ARG 37 4.735 7.459 -1.418 270 1HD ARG 37 1HD ARG 37 7.708 7.030 -1.669 271 2HD ARG 37 2HD ARG 37 6.824 7.210 -0.155 272 HE ARG 37 HE ARG 37 5.647 5.121 -1.562 273 1HH1 ARG 37 1HH1 ARG 37 8.741 5.813 -0.065 274 2HH1 ARG 37 2HH1 ARG 37 9.072 4.151 0.289 275 1HH2 ARG 37 1HH2 ARG 37 6.097 2.947 -1.089 276 2HH2 ARG 37 2HH2 ARG 37 7.576 2.530 -0.291 277 H PHE 38 H PHE 38 2.706 9.273 -2.771 278 HA PHE 38 HA PHE 38 1.088 6.956 -2.037 279 1HB PHE 38 2HB PHE 38 1.189 9.802 -1.092 280 2HB PHE 38 1HB PHE 38 -0.222 8.810 -0.748 281 HD1 PHE 38 HD1 PHE 38 -0.258 7.469 1.125 282 HD2 PHE 38 HD2 PHE 38 3.497 8.829 -0.349 283 HE1 PHE 38 HE1 PHE 38 0.856 6.544 3.112 284 HE2 PHE 38 HE2 PHE 38 4.614 7.900 1.632 285 HZ PHE 38 HZ PHE 38 3.295 6.756 3.366 286 H LEU 39 H LEU 39 -1.243 6.962 -2.251 287 HA LEU 39 HA LEU 39 -2.137 8.344 -4.706 288 1HB LEU 39 1HB LEU 39 -2.876 5.676 -3.534 289 2HB LEU 39 2HB LEU 39 -3.845 6.450 -4.770 290 HG LEU 39 HG LEU 39 -0.926 5.908 -5.226 291 1HD1 LEU 39 1HD1 LEU 39 -1.851 3.842 -6.448 292 2HD1 LEU 39 2HD1 LEU 39 -3.246 4.021 -5.384 293 3HD1 LEU 39 3HD1 LEU 39 -1.642 3.759 -4.698 294 1HD2 LEU 39 1HD2 LEU 39 -2.167 7.413 -6.761 295 2HD2 LEU 39 2HD2 LEU 39 -3.285 6.089 -7.099 296 3HD2 LEU 39 3HD2 LEU 39 -1.585 5.946 -7.549 297 H THR 40 H THR 40 -4.131 9.329 -4.796 298 HA THR 40 HA THR 40 -5.412 9.886 -2.218 299 HB THR 40 HB THR 40 -5.904 11.195 -4.913 300 HG1 THR 40 HG1 THR 40 -4.200 12.320 -4.513 301 1HG2 THR 40 1HG2 THR 40 -7.780 11.538 -3.423 302 2HG2 THR 40 2HG2 THR 40 -6.868 13.036 -3.612 303 3HG2 THR 40 3HG2 THR 40 -6.693 12.076 -2.140 304 H ILE 41 H ILE 41 -6.979 8.530 -1.675 305 HA ILE 41 HA ILE 41 -8.666 7.367 -3.798 306 HB ILE 41 HB ILE 41 -8.037 6.244 -1.051 307 1HG1 ILE 41 2HG1 ILE 41 -7.117 5.299 -3.784 308 2HG1 ILE 41 1HG1 ILE 41 -6.132 6.256 -2.685 309 1HG2 ILE 41 1HG2 ILE 41 -10.255 5.569 -1.831 310 2HG2 ILE 41 2HG2 ILE 41 -9.144 4.201 -1.860 311 3HG2 ILE 41 3HG2 ILE 41 -9.567 5.025 -3.361 312 1HD1 ILE 41 1HD1 ILE 41 -6.306 4.419 -1.027 313 2HD1 ILE 41 2HD1 ILE 41 -5.471 3.975 -2.515 314 3HD1 ILE 41 3HD1 ILE 41 -7.136 3.458 -2.249 315 H HIS 42 H HIS 42 -10.892 7.245 -3.537 316 HA HIS 42 HA HIS 42 -12.026 8.955 -1.424 317 1HB HIS 42 2HB HIS 42 -13.062 8.361 -4.205 318 2HB HIS 42 1HB HIS 42 -13.977 9.232 -2.982 319 HD1 HIS 42 HD1 HIS 42 -10.495 9.590 -4.508 320 HD2 HIS 42 HD2 HIS 42 -13.763 11.887 -3.364 321 HE1 HIS 42 HE1 HIS 42 -9.883 11.962 -5.080 322 HE2 HIS 42 HE2 HIS 42 -11.841 13.342 -4.299 323 H ARG 43 H ARG 43 -13.980 8.301 -0.442 324 HA ARG 43 HA ARG 43 -14.111 5.576 0.242 325 1HB ARG 43 2HB ARG 43 -14.830 7.480 1.684 326 2HB ARG 43 1HB ARG 43 -16.229 7.696 0.646 327 1HG ARG 43 1HG ARG 43 -16.996 5.438 1.234 328 2HG ARG 43 2HG ARG 43 -15.604 5.260 2.304 329 1HD ARG 43 2HD ARG 43 -17.564 5.877 3.587 330 2HD ARG 43 1HD ARG 43 -16.384 7.187 3.614 331 HE ARG 43 HE ARG 43 -18.175 7.649 1.513 332 1HH1 ARG 43 1HH1 ARG 43 -18.182 7.600 5.020 333 2HH1 ARG 43 2HH1 ARG 43 -19.467 8.753 5.147 334 1HH2 ARG 43 1HH2 ARG 43 -19.858 9.159 1.701 335 2HH2 ARG 43 2HH2 ARG 43 -20.416 9.635 3.270 336 H GLY 44 H GLY 44 -14.946 3.918 -0.836 337 1HA GLY 44 2HA GLY 44 -16.844 2.818 -1.791 338 2HA GLY 44 1HA GLY 44 -17.360 4.356 -2.458 339 H GLN 45 H GLN 45 -14.195 4.425 -3.152 340 HA GLN 45 HA GLN 45 -14.660 3.604 -5.875 341 1HB GLN 45 1HB GLN 45 -12.235 4.740 -4.491 342 2HB GLN 45 2HB GLN 45 -12.238 4.279 -6.187 343 1HG GLN 45 2HG GLN 45 -14.195 5.855 -6.472 344 2HG GLN 45 1HG GLN 45 -13.829 6.445 -4.852 345 1HE2 GLN 45 1HE2 GLN 45 -13.423 7.121 -7.983 346 2HE2 GLN 45 2HE2 GLN 45 -11.932 7.993 -7.932 347 H VAL 46 H VAL 46 -13.477 2.086 -7.061 348 HA VAL 46 HA VAL 46 -12.754 -0.298 -5.538 349 HB VAL 46 HB VAL 46 -12.864 -0.010 -8.548 350 1HG1 VAL 46 1HG1 VAL 46 -11.701 -1.982 -7.828 351 2HG1 VAL 46 2HG1 VAL 46 -13.275 -2.450 -8.469 352 3HG1 VAL 46 3HG1 VAL 46 -13.011 -2.404 -6.725 353 1HG2 VAL 46 1HG2 VAL 46 -15.032 0.427 -6.968 354 2HG2 VAL 46 2HG2 VAL 46 -15.144 -1.312 -7.243 355 3HG2 VAL 46 3HG2 VAL 46 -15.094 -0.203 -8.615 356 H VAL 47 H VAL 47 -10.673 -0.383 -4.869 357 HA VAL 47 HA VAL 47 -8.585 0.612 -6.698 358 HB VAL 47 HB VAL 47 -8.252 0.120 -3.734 359 1HG1 VAL 47 1HG1 VAL 47 -6.582 2.053 -5.234 360 2HG1 VAL 47 2HG1 VAL 47 -6.312 0.342 -5.562 361 3HG1 VAL 47 3HG1 VAL 47 -6.151 0.960 -3.919 362 1HG2 VAL 47 1HG2 VAL 47 -9.679 2.228 -5.023 363 2HG2 VAL 47 2HG2 VAL 47 -8.215 2.888 -4.294 364 3HG2 VAL 47 3HG2 VAL 47 -9.367 1.991 -3.303 365 H TYR 48 H TYR 48 -7.241 -0.799 -7.605 366 HA TYR 48 HA TYR 48 -7.403 -3.588 -6.779 367 1HB TYR 48 2HB TYR 48 -6.180 -2.320 -9.237 368 2HB TYR 48 1HB TYR 48 -6.141 -4.042 -8.896 369 HD1 TYR 48 HD1 TYR 48 -7.883 -5.417 -9.601 370 HD2 TYR 48 HD2 TYR 48 -8.517 -1.212 -9.457 371 HE1 TYR 48 HE1 TYR 48 -10.035 -5.708 -10.750 372 HE2 TYR 48 HE2 TYR 48 -10.676 -1.495 -10.599 373 HH TYR 48 HH TYR 48 -12.381 -3.329 -10.889 374 H VAL 49 H VAL 49 -5.839 -4.623 -5.719 375 HA VAL 49 HA VAL 49 -3.414 -3.173 -5.010 376 HB VAL 49 HB VAL 49 -4.260 -5.928 -4.079 377 1HG1 VAL 49 1HG1 VAL 49 -2.407 -5.962 -2.853 378 2HG1 VAL 49 2HG1 VAL 49 -2.732 -4.353 -2.208 379 3HG1 VAL 49 3HG1 VAL 49 -1.871 -4.532 -3.737 380 1HG2 VAL 49 1HG2 VAL 49 -5.502 -3.447 -3.515 381 2HG2 VAL 49 2HG2 VAL 49 -4.633 -3.948 -2.064 382 3HG2 VAL 49 3HG2 VAL 49 -5.826 -5.023 -2.792 383 H PHE 50 H PHE 50 -1.483 -3.529 -5.929 384 HA PHE 50 HA PHE 50 -1.239 -5.820 -7.754 385 1HB PHE 50 2HB PHE 50 0.048 -3.099 -7.786 386 2HB PHE 50 1HB PHE 50 0.694 -4.437 -8.729 387 HD1 PHE 50 HD1 PHE 50 -2.387 -2.407 -8.217 388 HD2 PHE 50 HD2 PHE 50 -0.178 -4.949 -10.820 389 HE1 PHE 50 HE1 PHE 50 -3.966 -1.913 -10.036 390 HE2 PHE 50 HE2 PHE 50 -1.754 -4.457 -12.642 391 HZ PHE 50 HZ PHE 50 -3.650 -2.937 -12.252 392 H SER 51 H SER 51 0.073 -4.393 -4.891 393 HA SER 51 HA SER 51 1.837 -6.668 -4.557 394 1HB SER 51 2HB SER 51 3.833 -5.266 -4.075 395 2HB SER 51 1HB SER 51 3.319 -5.161 -5.757 396 HG SER 51 HG SER 51 3.795 -3.148 -4.354 397 H LYS 52 H LYS 52 2.724 -6.873 -2.417 398 HA LYS 52 HA LYS 52 1.456 -5.170 -0.366 399 1HB LYS 52 2HB LYS 52 1.764 -8.149 0.000 400 2HB LYS 52 1HB LYS 52 0.876 -7.031 1.005 401 1HG LYS 52 1HG LYS 52 -0.790 -6.733 -0.720 402 2HG LYS 52 2HG LYS 52 0.119 -7.786 -1.807 403 1HD LYS 52 1HD LYS 52 -0.181 -9.651 -0.250 404 2HD LYS 52 2HD LYS 52 -1.092 -8.598 0.835 405 1HE LYS 52 2HE LYS 52 -2.776 -8.256 -0.906 406 2HE LYS 52 1HE LYS 52 -1.865 -9.311 -1.993 407 1HZ LYS 52 1HZ LYS 52 -3.438 -10.010 0.387 408 2HZ LYS 52 2HZ LYS 52 -2.131 -10.993 -0.048 409 3HZ LYS 52 3HZ LYS 52 -3.405 -10.749 -1.135 410 H LEU 53 H LEU 53 3.155 -4.119 0.492 411 HA LEU 53 HA LEU 53 5.813 -5.090 0.464 412 1HB LEU 53 1HB LEU 53 4.663 -2.886 2.177 413 2HB LEU 53 2HB LEU 53 6.360 -3.133 1.803 414 HG LEU 53 HG LEU 53 4.253 -2.463 -0.261 415 1HD1 LEU 53 1HD2 LEU 53 6.175 -0.390 0.189 416 2HD1 LEU 53 2HD2 LEU 53 5.358 -0.790 1.700 417 3HD1 LEU 53 3HD2 LEU 53 4.415 -0.323 0.284 418 1HD2 LEU 53 1HD1 LEU 53 7.017 -3.283 -0.436 419 2HD2 LEU 53 2HD1 LEU 53 6.774 -1.687 -1.144 420 3HD2 LEU 53 3HD1 LEU 53 5.823 -3.060 -1.717 421 H LYS 54 H LYS 54 7.225 -5.487 2.265 422 HA LYS 54 HA LYS 54 5.893 -6.689 4.622 423 1HB LYS 54 1HB LYS 54 8.292 -7.695 3.081 424 2HB LYS 54 2HB LYS 54 7.873 -8.272 4.683 425 1HG LYS 54 1HG LYS 54 5.740 -9.084 3.828 426 2HG LYS 54 2HG LYS 54 6.171 -8.501 2.217 427 1HD LYS 54 1HD LYS 54 6.707 -10.791 2.209 428 2HD LYS 54 2HD LYS 54 8.244 -9.961 2.405 429 1HE LYS 54 2HE LYS 54 8.133 -11.870 3.894 430 2HE LYS 54 1HE LYS 54 8.145 -10.372 4.824 431 1HZ LYS 54 1HZ LYS 54 6.456 -12.283 5.354 432 2HZ LYS 54 2HZ LYS 54 5.554 -11.546 4.129 433 3HZ LYS 54 3HZ LYS 54 6.004 -10.658 5.496 434 H GLY 55 H GLY 55 7.818 -7.173 6.322 435 1HA GLY 55 1HA GLY 55 9.551 -6.359 7.630 436 2HA GLY 55 2HA GLY 55 9.810 -5.087 6.448 437 H ARG 56 H ARG 56 9.879 -3.328 7.684 438 HA ARG 56 HA ARG 56 8.213 -2.857 9.933 439 1HB ARG 56 2HB ARG 56 9.136 -0.531 9.814 440 2HB ARG 56 1HB ARG 56 10.345 -1.803 9.890 441 1HG ARG 56 1HG ARG 56 10.660 -1.613 7.452 442 2HG ARG 56 2HG ARG 56 9.504 -0.279 7.434 443 1HD ARG 56 2HD ARG 56 10.928 1.026 8.874 444 2HD ARG 56 1HD ARG 56 12.045 -0.324 9.048 445 HE ARG 56 HE ARG 56 11.957 1.562 6.915 446 1HH1 ARG 56 1HH1 ARG 56 12.768 -1.780 7.633 447 2HH1 ARG 56 2HH1 ARG 56 13.844 -1.926 6.284 448 1HH2 ARG 56 1HH2 ARG 56 13.377 1.345 5.159 449 2HH2 ARG 56 2HH2 ARG 56 14.188 -0.160 4.887 450 H GLY 57 H GLY 57 7.866 -2.232 6.542 451 1HA GLY 57 1HA GLY 57 5.445 -0.625 7.067 452 2HA GLY 57 2HA GLY 57 6.386 -0.553 5.584 453 H ARG 58 H ARG 58 5.362 -3.437 7.351 454 HA ARG 58 HA ARG 58 4.414 -4.704 4.998 455 1HB ARG 58 2HB ARG 58 3.684 -6.511 6.477 456 2HB ARG 58 1HB ARG 58 5.326 -6.006 6.815 457 1HG ARG 58 1HG ARG 58 4.652 -4.837 8.772 458 2HG ARG 58 2HG ARG 58 2.956 -5.120 8.394 459 1HD ARG 58 2HD ARG 58 3.295 -7.515 8.598 460 2HD ARG 58 1HD ARG 58 4.996 -7.248 8.959 461 HE ARG 58 HE ARG 58 2.810 -7.067 10.779 462 1HH1 ARG 58 1HH1 ARG 58 5.998 -5.741 10.138 463 2HH1 ARG 58 2HH1 ARG 58 6.247 -5.251 11.778 464 1HH2 ARG 58 1HH2 ARG 58 3.162 -6.418 12.922 465 2HH2 ARG 58 2HH2 ARG 58 4.645 -5.634 13.352 466 H LEU 59 H LEU 59 2.953 -2.509 7.137 467 HA LEU 59 HA LEU 59 0.235 -3.380 6.641 468 1HB LEU 59 2HB LEU 59 1.303 -0.908 8.014 469 2HB LEU 59 1HB LEU 59 -0.386 -1.366 7.945 470 HG LEU 59 HG LEU 59 1.737 -3.072 9.249 471 1HD1 LEU 59 1HD2 LEU 59 -0.183 -1.587 10.918 472 2HD1 LEU 59 2HD2 LEU 59 1.093 -0.630 10.165 473 3HD1 LEU 59 3HD2 LEU 59 1.508 -1.989 11.210 474 1HD2 LEU 59 1HD1 LEU 59 0.124 -4.584 9.421 475 2HD2 LEU 59 2HD1 LEU 59 -1.000 -3.510 8.591 476 3HD2 LEU 59 3HD1 LEU 59 -0.844 -3.436 10.345 477 H PHE 60 H PHE 60 2.356 -2.147 4.631 478 HA PHE 60 HA PHE 60 0.503 -0.207 3.413 479 1HB PHE 60 2HB PHE 60 3.509 -0.426 3.231 480 2HB PHE 60 1HB PHE 60 2.564 0.561 2.125 481 HD1 PHE 60 HD1 PHE 60 2.031 2.745 2.671 482 HD2 PHE 60 HD2 PHE 60 3.292 0.092 5.755 483 HE1 PHE 60 HE1 PHE 60 2.138 4.630 4.246 484 HE2 PHE 60 HE2 PHE 60 3.393 1.974 7.335 485 HZ PHE 60 HZ PHE 60 2.816 4.246 6.582 486 H TRP 61 H TRP 61 -0.527 -0.842 1.690 487 HA TRP 61 HA TRP 61 0.527 -3.078 0.100 488 1HB TRP 61 2HB TRP 61 -2.251 -2.157 0.752 489 2HB TRP 61 1HB TRP 61 -1.968 -3.051 -0.731 490 HD1 TRP 61 HD1 TRP 61 0.274 -4.436 1.885 491 HE1 TRP 61 HE1 TRP 61 -0.710 -6.594 2.860 492 HE3 TRP 61 HE3 TRP 61 -4.491 -4.101 0.016 493 HZ2 TRP 61 HZ2 TRP 61 -3.165 -7.973 2.862 494 HZ3 TRP 61 HZ3 TRP 61 -6.090 -5.891 0.559 495 HH2 TRP 61 HH2 TRP 61 -5.439 -7.785 1.953 496 H GLY 62 H GLY 62 1.352 -2.599 -1.805 497 1HA GLY 62 2HA GLY 62 0.967 0.020 -2.989 498 2HA GLY 62 1HA GLY 62 2.024 -1.286 -3.599 499 H GLY 63 H GLY 63 0.414 0.288 -5.273 500 1HA GLY 63 2HA GLY 63 -0.624 -1.291 -7.116 501 2HA GLY 63 1HA GLY 63 -1.921 -1.337 -5.929 502 H SER 64 H SER 64 -3.247 -0.396 -7.600 503 HA SER 64 HA SER 64 -3.267 2.484 -7.428 504 1HB SER 64 2HB SER 64 -2.667 1.054 -10.000 505 2HB SER 64 1HB SER 64 -3.556 2.580 -10.026 506 HG SER 64 HG SER 64 -1.366 3.002 -10.202 507 H VAL 65 H VAL 65 -5.225 3.433 -8.111 508 HA VAL 65 HA VAL 65 -7.516 1.824 -7.603 509 HB VAL 65 HB VAL 65 -7.280 4.247 -6.985 510 1HG1 VAL 65 1HG1 VAL 65 -8.203 5.187 -9.606 511 2HG1 VAL 65 2HG1 VAL 65 -6.520 4.666 -9.542 512 3HG1 VAL 65 3HG1 VAL 65 -7.094 5.927 -8.452 513 1HG2 VAL 65 1HG2 VAL 65 -9.705 3.488 -8.599 514 2HG2 VAL 65 2HG2 VAL 65 -9.611 4.891 -7.533 515 3HG2 VAL 65 3HG2 VAL 65 -9.457 3.266 -6.865 516 H GLN 66 H GLN 66 -9.399 1.736 -9.082 517 HA GLN 66 HA GLN 66 -9.259 0.235 -11.236 518 1HB GLN 66 2HB GLN 66 -11.347 1.109 -10.235 519 2HB GLN 66 1HB GLN 66 -11.099 2.625 -11.089 520 1HG GLN 66 2HG GLN 66 -11.162 1.330 -13.222 521 2HG GLN 66 1HG GLN 66 -11.638 -0.078 -12.280 522 1HE2 GLN 66 1HE2 GLN 66 -12.927 2.773 -10.959 523 2HE2 GLN 66 2HE2 GLN 66 -14.502 2.662 -11.653 524 H GLY 67 H GLY 67 -8.708 0.222 -13.327 525 1HA GLY 67 1HA GLY 67 -7.155 2.405 -14.370 526 2HA GLY 67 2HA GLY 67 -7.463 0.869 -15.159 527 H ASP 68 H ASP 68 -9.112 3.891 -14.278 528 HA ASP 68 HA ASP 68 -10.832 3.637 -16.633 529 1HB ASP 68 2HB ASP 68 -11.750 4.197 -14.304 530 2HB ASP 68 1HB ASP 68 -10.985 5.768 -14.494 531 H TYR 69 H TYR 69 -8.031 5.125 -15.513 532 HA TYR 69 HA TYR 69 -6.594 6.694 -16.245 533 1HB TYR 69 2HB TYR 69 -7.898 5.837 -18.810 534 2HB TYR 69 1HB TYR 69 -6.623 7.045 -18.800 535 HD1 TYR 69 HD1 TYR 69 -4.433 6.345 -19.034 536 HD2 TYR 69 HD2 TYR 69 -7.312 3.564 -17.585 537 HE1 TYR 69 HE1 TYR 69 -2.742 4.562 -19.106 538 HE2 TYR 69 HE2 TYR 69 -5.625 1.777 -17.647 539 HH TYR 69 HH TYR 69 -3.101 1.622 -17.566 540 H TYR 70 H TYR 70 -7.774 8.224 -14.945 541 HA TYR 70 HA TYR 70 -9.473 10.109 -16.381 542 1HB TYR 70 1HB TYR 70 -9.900 9.142 -13.994 543 2HB TYR 70 2HB TYR 70 -8.722 10.344 -13.482 544 HD1 TYR 70 HD1 TYR 70 -11.819 10.144 -15.575 545 HD2 TYR 70 HD2 TYR 70 -9.528 12.381 -12.773 546 HE1 TYR 70 HE1 TYR 70 -13.597 11.842 -15.486 547 HE2 TYR 70 HE2 TYR 70 -11.299 14.085 -12.675 548 HH TYR 70 HH TYR 70 -13.153 14.890 -13.942 549 H GLY 71 H GLY 71 -6.248 9.707 -15.438 550 1HA GLY 71 1HA GLY 71 -5.306 12.014 -16.703 551 2HA GLY 71 2HA GLY 71 -5.432 12.367 -14.986 552 H ASP 72 H ASP 72 -4.362 10.754 -13.518 553 HA ASP 72 HA ASP 72 -2.121 9.315 -14.684 554 1HB ASP 72 2HB ASP 72 -0.512 10.456 -13.088 555 2HB ASP 72 1HB ASP 72 -1.077 11.442 -14.433 556 H LEU 73 H LEU 73 -4.483 8.477 -13.326 557 HA LEU 73 HA LEU 73 -3.796 7.800 -10.616 558 1HB LEU 73 1HB LEU 73 -6.089 6.990 -12.399 559 2HB LEU 73 2HB LEU 73 -5.910 6.420 -10.752 560 HG LEU 73 HG LEU 73 -6.134 9.343 -11.483 561 1HD1 LEU 73 1HD1 LEU 73 -8.342 9.154 -11.634 562 2HD1 LEU 73 2HD1 LEU 73 -8.420 8.242 -10.127 563 3HD1 LEU 73 3HD1 LEU 73 -8.137 7.403 -11.653 564 1HD2 LEU 73 1HD2 LEU 73 -7.028 8.977 -8.910 565 2HD2 LEU 73 2HD2 LEU 73 -5.433 9.572 -9.370 566 3HD2 LEU 73 3HD2 LEU 73 -5.666 7.860 -9.015 567 H ALA 74 H ALA 74 -4.797 5.588 -13.242 568 HA ALA 74 HA ALA 74 -2.982 3.574 -12.140 569 1HB ALA 74 1HB ALA 74 -5.114 3.200 -14.248 570 2HB ALA 74 2HB ALA 74 -5.383 3.004 -12.515 571 3HB ALA 74 3HB ALA 74 -4.252 1.942 -13.356 572 H ALA 75 H ALA 75 -1.306 5.169 -13.131 573 HA ALA 75 HA ALA 75 -0.433 3.984 -15.649 574 1HB ALA 75 1HB ALA 75 0.168 6.721 -15.913 575 2HB ALA 75 2HB ALA 75 -1.538 6.613 -15.484 576 3HB ALA 75 3HB ALA 75 -0.929 5.750 -16.895 577 H ARG 76 H ARG 76 0.316 6.234 -13.003 578 HA ARG 76 HA ARG 76 3.160 5.795 -13.405 579 1HB ARG 76 1HB ARG 76 3.483 7.537 -11.684 580 2HB ARG 76 2HB ARG 76 2.497 8.090 -13.030 581 1HG ARG 76 2HG ARG 76 0.483 7.820 -11.709 582 2HG ARG 76 1HG ARG 76 1.426 7.165 -10.370 583 1HD ARG 76 2HD ARG 76 0.893 9.495 -9.963 584 2HD ARG 76 1HD ARG 76 2.629 9.295 -10.188 585 HE ARG 76 HE ARG 76 1.480 9.942 -12.660 586 1HH1 ARG 76 1HH1 ARG 76 2.088 11.450 -9.552 587 2HH1 ARG 76 2HH1 ARG 76 2.193 13.044 -10.218 588 1HH2 ARG 76 1HH2 ARG 76 1.621 12.040 -13.514 589 2HH2 ARG 76 2HH2 ARG 76 1.928 13.379 -12.458 590 H LEU 77 H LEU 77 0.653 4.640 -11.501 591 HA LEU 77 HA LEU 77 0.458 3.086 -9.864 592 1HB LEU 77 2HB LEU 77 2.117 1.894 -11.312 593 2HB LEU 77 1HB LEU 77 3.396 2.541 -10.310 594 HG LEU 77 HG LEU 77 2.684 1.223 -8.424 595 1HD1 LEU 77 1HD2 LEU 77 0.538 0.732 -8.167 596 2HD1 LEU 77 2HD2 LEU 77 0.741 -0.514 -9.398 597 3HD1 LEU 77 3HD2 LEU 77 0.184 1.095 -9.858 598 1HD2 LEU 77 1HD1 LEU 77 3.888 0.222 -10.555 599 2HD2 LEU 77 2HD1 LEU 77 2.420 -0.757 -10.610 600 3HD2 LEU 77 3HD1 LEU 77 3.446 -0.785 -9.174 601 H GLY 78 H GLY 78 0.568 2.944 -7.587 602 1HA GLY 78 1HA GLY 78 2.589 4.586 -6.239 603 2HA GLY 78 2HA GLY 78 0.918 5.085 -6.064 604 H TYR 79 H TYR 79 1.161 4.823 -3.806 605 HA TYR 79 HA TYR 79 0.795 2.046 -2.926 606 1HB TYR 79 2HB TYR 79 2.542 4.074 -1.498 607 2HB TYR 79 1HB TYR 79 2.165 2.454 -0.918 608 HD1 TYR 79 HD1 TYR 79 4.197 4.432 -3.219 609 HD2 TYR 79 HD2 TYR 79 3.173 0.487 -1.998 610 HE1 TYR 79 HE1 TYR 79 6.163 3.560 -4.406 611 HE2 TYR 79 HE2 TYR 79 5.135 -0.394 -3.183 612 HH TYR 79 HH TYR 79 6.686 1.002 -5.469 613 H PHE 80 H PHE 80 -0.358 1.820 -0.920 614 HA PHE 80 HA PHE 80 -1.634 4.135 0.246 615 1HB PHE 80 2HB PHE 80 -3.954 3.257 -0.159 616 2HB PHE 80 1HB PHE 80 -3.139 3.834 -1.609 617 HD1 PHE 80 HD1 PHE 80 -4.383 0.862 0.170 618 HD2 PHE 80 HD2 PHE 80 -2.567 2.328 -3.392 619 HE1 PHE 80 HE1 PHE 80 -4.854 -1.277 -0.948 620 HE2 PHE 80 HE2 PHE 80 -3.035 0.190 -4.512 621 HZ PHE 80 HZ PHE 80 -4.180 -1.614 -3.291 622 HA PRO 81 HA PRO 81 -1.448 1.434 3.789 623 1HB PRO 81 2HB PRO 81 -3.724 2.810 5.013 624 2HB PRO 81 1HB PRO 81 -2.033 2.794 5.512 625 1HG PRO 81 2HG PRO 81 -3.202 4.993 4.485 626 2HG PRO 81 1HG PRO 81 -1.491 4.615 4.212 627 1HD PRO 81 2HD PRO 81 -3.835 4.198 2.390 628 2HD PRO 81 1HD PRO 81 -2.213 4.818 2.014 629 H SER 82 H SER 82 -2.274 -0.522 4.251 630 HA SER 82 HA SER 82 -4.524 -1.538 2.883 631 1HB SER 82 2HB SER 82 -4.143 -3.589 4.179 632 2HB SER 82 1HB SER 82 -2.617 -2.936 3.583 633 HG SER 82 HG SER 82 -2.635 -1.839 5.783 634 H SER 83 H SER 83 -4.212 0.106 5.880 635 HA SER 83 HA SER 83 -6.454 -0.897 7.260 636 1HB SER 83 1HB SER 83 -5.085 1.788 7.488 637 2HB SER 83 2HB SER 83 -6.239 1.133 8.650 638 HG SER 83 HG SER 83 -4.069 0.741 9.270 639 H ILE 84 H ILE 84 -6.263 1.366 4.606 640 HA ILE 84 HA ILE 84 -8.945 2.371 5.202 641 HB ILE 84 HB ILE 84 -8.683 3.962 3.423 642 1HG1 ILE 84 1HG1 ILE 84 -5.901 2.901 2.939 643 2HG1 ILE 84 2HG1 ILE 84 -7.288 2.404 1.967 644 1HG2 ILE 84 1HG2 ILE 84 -7.369 5.368 4.607 645 2HG2 ILE 84 2HG2 ILE 84 -6.049 4.205 4.742 646 3HG2 ILE 84 3HG2 ILE 84 -7.460 4.063 5.790 647 1HD1 ILE 84 1HD1 ILE 84 -7.391 5.171 2.005 648 2HD1 ILE 84 2HD1 ILE 84 -6.886 4.136 0.669 649 3HD1 ILE 84 3HD1 ILE 84 -5.686 4.776 1.792 650 H VAL 85 H VAL 85 -7.671 -0.238 3.577 651 HA VAL 85 HA VAL 85 -10.030 -0.338 1.805 652 HB VAL 85 HB VAL 85 -8.718 -1.785 0.257 653 1HG1 VAL 85 1HG1 VAL 85 -8.158 1.071 0.758 654 2HG1 VAL 85 2HG1 VAL 85 -8.809 0.273 -0.673 655 3HG1 VAL 85 3HG1 VAL 85 -7.074 0.237 -0.356 656 1HG2 VAL 85 1HG2 VAL 85 -6.602 -2.433 0.619 657 2HG2 VAL 85 2HG2 VAL 85 -6.915 -2.005 2.302 658 3HG2 VAL 85 3HG2 VAL 85 -6.121 -0.849 1.232 659 H ARG 86 H ARG 86 -10.725 -2.553 1.218 660 HA ARG 86 HA ARG 86 -10.136 -4.537 3.297 661 1HB ARG 86 2HB ARG 86 -12.177 -3.219 3.901 662 2HB ARG 86 1HB ARG 86 -12.939 -3.821 2.436 663 1HG ARG 86 1HG ARG 86 -12.811 -6.091 3.246 664 2HG ARG 86 2HG ARG 86 -11.926 -5.560 4.677 665 1HD ARG 86 1HD ARG 86 -14.252 -5.929 5.235 666 2HD ARG 86 2HD ARG 86 -13.861 -4.215 5.358 667 HE ARG 86 HE ARG 86 -15.416 -3.796 3.749 668 1HH1 ARG 86 1HH1 ARG 86 -14.588 -7.203 3.520 669 2HH1 ARG 86 2HH1 ARG 86 -15.759 -7.519 2.285 670 1HH2 ARG 86 1HH2 ARG 86 -16.942 -4.238 2.134 671 2HH2 ARG 86 2HH2 ARG 86 -17.089 -5.844 1.502 672 H GLU 87 H GLU 87 -9.437 -6.289 2.291 673 HA GLU 87 HA GLU 87 -9.896 -6.866 -0.440 674 1HB GLU 87 2HB GLU 87 -7.851 -7.465 0.797 675 2HB GLU 87 1HB GLU 87 -8.777 -8.565 1.805 676 1HG GLU 87 2HG GLU 87 -8.696 -8.906 -1.149 677 2HG GLU 87 1HG GLU 87 -7.369 -9.456 -0.140 678 H ASP 88 H ASP 88 -11.473 -8.037 -1.367 679 HA ASP 88 HA ASP 88 -13.230 -9.641 0.367 680 1HB ASP 88 2HB ASP 88 -14.310 -7.505 -0.260 681 2HB ASP 88 1HB ASP 88 -14.106 -7.914 -1.959 682 H GLN 89 H GLN 89 -11.784 -9.213 -2.826 683 HA GLN 89 HA GLN 89 -12.210 -12.084 -3.322 684 1HB GLN 89 2HB GLN 89 -13.922 -10.373 -4.447 685 2HB GLN 89 1HB GLN 89 -12.628 -10.233 -5.621 686 1HG GLN 89 2HG GLN 89 -14.100 -12.749 -4.862 687 2HG GLN 89 1HG GLN 89 -14.274 -11.838 -6.358 688 1HE2 GLN 89 1HE2 GLN 89 -12.591 -11.896 -7.891 689 2HE2 GLN 89 2HE2 GLN 89 -11.413 -13.163 -7.889 690 H THR 90 H THR 90 -10.409 -13.057 -4.029 691 HA THR 90 HA THR 90 -8.113 -11.449 -4.855 692 HB THR 90 HB THR 90 -8.334 -14.436 -4.405 693 HG1 THR 90 HG1 THR 90 -7.457 -12.358 -2.701 694 1HG2 THR 90 1HG2 THR 90 -6.278 -13.141 -5.677 695 2HG2 THR 90 2HG2 THR 90 -6.173 -14.705 -4.867 696 3HG2 THR 90 3HG2 THR 90 -5.723 -13.233 -4.006 697 H LEU 91 H LEU 91 -7.617 -11.148 -6.943 698 HA LEU 91 HA LEU 91 -9.169 -12.502 -8.984 699 1HB LEU 91 1HB LEU 91 -7.035 -10.403 -9.343 700 2HB LEU 91 2HB LEU 91 -8.245 -10.888 -10.513 701 HG LEU 91 HG LEU 91 -8.847 -9.495 -7.898 702 1HD1 LEU 91 1HD2 LEU 91 -7.820 -7.836 -9.109 703 2HD1 LEU 91 2HD2 LEU 91 -9.499 -7.652 -9.621 704 3HD1 LEU 91 3HD2 LEU 91 -8.346 -8.490 -10.660 705 1HD2 LEU 91 1HD1 LEU 91 -10.615 -10.113 -10.262 706 2HD2 LEU 91 2HD1 LEU 91 -11.076 -9.168 -8.846 707 3HD2 LEU 91 3HD1 LEU 91 -10.692 -10.882 -8.676 708 H LYS 92 H LYS 92 -5.799 -12.262 -7.976 709 HA LYS 92 HA LYS 92 -5.235 -14.769 -9.292 710 1HB LYS 92 2HB LYS 92 -4.866 -12.879 -10.990 711 2HB LYS 92 1HB LYS 92 -3.475 -12.431 -10.015 712 1HG LYS 92 2HG LYS 92 -2.284 -14.311 -10.581 713 2HG LYS 92 1HG LYS 92 -3.731 -15.262 -10.907 714 1HD LYS 92 1HD LYS 92 -2.800 -12.982 -12.656 715 2HD LYS 92 2HD LYS 92 -2.369 -14.667 -12.934 716 1HE LYS 92 2HE LYS 92 -4.739 -15.241 -13.156 717 2HE LYS 92 1HE LYS 92 -5.173 -13.555 -12.876 718 1HZ LYS 92 1HZ LYS 92 -3.453 -14.458 -15.119 719 2HZ LYS 92 2HZ LYS 92 -4.120 -12.920 -14.895 720 3HZ LYS 92 3HZ LYS 92 -5.125 -14.233 -15.252 721 HA PRO 93 HA PRO 93 -3.093 -15.292 -5.393 722 1HB PRO 93 2HB PRO 93 -1.369 -17.160 -6.856 723 2HB PRO 93 1HB PRO 93 -2.369 -17.429 -5.439 724 1HG PRO 93 1HG PRO 93 -2.966 -18.300 -7.969 725 2HG PRO 93 2HG PRO 93 -4.135 -18.092 -6.655 726 1HD PRO 93 1HD PRO 93 -3.824 -16.548 -9.091 727 2HD PRO 93 2HD PRO 93 -5.126 -16.525 -7.897 728 H GLY 94 H GLY 94 -1.548 -14.144 -4.507 729 1HA GLY 94 1HA GLY 94 0.750 -13.287 -6.156 730 2HA GLY 94 2HA GLY 94 0.101 -12.378 -4.793 731 H LYS 95 H LYS 95 1.912 -15.186 -5.762 732 HA LYS 95 HA LYS 95 3.002 -15.403 -3.045 733 1HB LYS 95 1HB LYS 95 3.273 -17.898 -3.645 734 2HB LYS 95 2HB LYS 95 1.679 -17.305 -3.199 735 1HG LYS 95 2HG LYS 95 1.100 -17.118 -5.573 736 2HG LYS 95 1HG LYS 95 2.684 -17.773 -5.995 737 1HD LYS 95 2HD LYS 95 2.124 -19.827 -4.735 738 2HD LYS 95 1HD LYS 95 0.515 -19.165 -4.428 739 1HE LYS 95 2HE LYS 95 0.441 -20.712 -6.294 740 2HE LYS 95 1HE LYS 95 0.106 -19.072 -6.846 741 1HZ LYS 95 1HZ LYS 95 1.751 -20.576 -8.149 742 2HZ LYS 95 2HZ LYS 95 2.859 -20.093 -6.966 743 3HZ LYS 95 3HZ LYS 95 2.102 -18.934 -7.937 744 H VAL 96 H VAL 96 4.068 -13.912 -5.309 745 HA VAL 96 HA VAL 96 6.645 -15.314 -5.627 746 HB VAL 96 HB VAL 96 5.426 -13.394 -7.633 747 1HG1 VAL 96 1HG1 VAL 96 7.727 -15.208 -8.212 748 2HG1 VAL 96 2HG1 VAL 96 8.010 -13.691 -7.357 749 3HG1 VAL 96 3HG1 VAL 96 7.286 -13.675 -8.965 750 1HG2 VAL 96 1HG2 VAL 96 5.864 -16.123 -8.538 751 2HG2 VAL 96 2HG2 VAL 96 4.444 -15.091 -8.702 752 3HG2 VAL 96 3HG2 VAL 96 4.689 -16.026 -7.226 753 H ASP 97 H ASP 97 8.036 -14.356 -4.292 754 HA ASP 97 HA ASP 97 7.758 -11.652 -3.407 755 1HB ASP 97 2HB ASP 97 8.679 -13.541 -2.028 756 2HB ASP 97 1HB ASP 97 10.127 -13.492 -3.026 757 H VAL 98 H VAL 98 8.411 -9.892 -4.403 758 HA VAL 98 HA VAL 98 10.773 -9.990 -6.170 759 HB VAL 98 HB VAL 98 8.340 -8.256 -6.686 760 1HG1 VAL 98 1HG1 VAL 98 10.828 -8.829 -8.287 761 2HG1 VAL 98 2HG1 VAL 98 10.307 -7.283 -7.617 762 3HG1 VAL 98 3HG1 VAL 98 9.405 -8.019 -8.942 763 1HG2 VAL 98 1HG2 VAL 98 8.288 -10.934 -7.010 764 2HG2 VAL 98 2HG2 VAL 98 8.946 -10.439 -8.569 765 3HG2 VAL 98 3HG2 VAL 98 7.394 -9.802 -8.025 766 H LYS 99 H LYS 99 12.284 -8.457 -5.744 767 HA LYS 99 HA LYS 99 11.893 -6.698 -3.493 768 1HB LYS 99 1HB LYS 99 14.254 -6.050 -3.879 769 2HB LYS 99 2HB LYS 99 14.039 -7.790 -3.768 770 1HG LYS 99 2HG LYS 99 14.202 -8.010 -6.154 771 2HG LYS 99 1HG LYS 99 14.320 -6.260 -6.338 772 1HD LYS 99 2HD LYS 99 16.410 -6.277 -5.057 773 2HD LYS 99 1HD LYS 99 16.285 -8.028 -4.878 774 1HE LYS 99 2HE LYS 99 16.412 -8.281 -7.309 775 2HE LYS 99 1HE LYS 99 16.538 -6.532 -7.485 776 1HZ LYS 99 1HZ LYS 99 18.531 -8.455 -6.549 777 2HZ LYS 99 2HZ LYS 99 18.547 -6.915 -5.850 778 3HZ LYS 99 3HZ LYS 99 18.725 -7.086 -7.523 779 H THR 100 H THR 100 12.522 -4.351 -3.616 780 HA THR 100 HA THR 100 11.211 -3.135 -5.941 781 HB THR 100 HB THR 100 10.994 -1.120 -4.571 782 HG1 THR 100 HG1 THR 100 12.721 -2.539 -2.890 783 1HG2 THR 100 1HG2 THR 100 9.200 -1.875 -3.524 784 2HG2 THR 100 2HG2 THR 100 10.163 -2.900 -2.459 785 3HG2 THR 100 3HG2 THR 100 9.672 -3.493 -4.045 786 H ASP 101 H ASP 101 12.090 -1.328 -7.018 787 HA ASP 101 HA ASP 101 15.030 -1.140 -6.885 788 1HB ASP 101 2HB ASP 101 13.171 -0.753 -9.240 789 2HB ASP 101 1HB ASP 101 14.902 -0.439 -9.282 790 H LYS 102 H LYS 102 15.481 1.138 -8.338 791 HA LYS 102 HA LYS 102 14.549 3.145 -6.478 792 1HB LYS 102 2HB LYS 102 16.135 4.667 -7.634 793 2HB LYS 102 1HB LYS 102 16.882 3.235 -6.952 794 1HG LYS 102 1HG LYS 102 17.957 3.370 -8.944 795 2HG LYS 102 2HG LYS 102 16.616 2.325 -9.403 796 1HD LYS 102 2HD LYS 102 16.693 3.880 -11.122 797 2HD LYS 102 1HD LYS 102 15.445 4.532 -10.064 798 1HE LYS 102 2HE LYS 102 17.069 6.070 -9.088 799 2HE LYS 102 1HE LYS 102 18.332 5.402 -10.122 800 1HZ LYS 102 1HZ LYS 102 17.261 6.246 -12.039 801 2HZ LYS 102 2HZ LYS 102 17.310 7.515 -10.922 802 3HZ LYS 102 3HZ LYS 102 15.868 6.668 -11.176 803 H TRP 103 H TRP 103 13.144 1.910 -9.103 804 HA TRP 103 HA TRP 103 12.091 4.496 -10.042 805 1HB TRP 103 2HB TRP 103 11.899 1.778 -11.358 806 2HB TRP 103 1HB TRP 103 11.245 3.272 -12.007 807 HD1 TRP 103 HD1 TRP 103 14.452 1.295 -11.728 808 HE1 TRP 103 HE1 TRP 103 16.272 2.435 -13.147 809 HE3 TRP 103 HE3 TRP 103 12.056 5.691 -12.733 810 HZ2 TRP 103 HZ2 TRP 103 16.650 4.884 -14.496 811 HZ3 TRP 103 HZ3 TRP 103 13.221 7.390 -14.087 812 HH2 TRP 103 HH2 TRP 103 15.474 6.992 -14.941 813 H ASP 104 H ASP 104 11.384 2.768 -7.610 814 HA ASP 104 HA ASP 104 8.546 2.294 -8.169 815 1HB ASP 104 2HB ASP 104 10.383 1.319 -5.988 816 2HB ASP 104 1HB ASP 104 8.642 1.101 -5.909 817 H PHE 105 H PHE 105 10.700 4.161 -6.107 818 HA PHE 105 HA PHE 105 8.473 5.911 -5.428 819 1HB PHE 105 2HB PHE 105 9.540 5.944 -2.989 820 2HB PHE 105 1HB PHE 105 8.282 4.800 -3.436 821 HD1 PHE 105 HD1 PHE 105 12.037 5.026 -3.398 822 HD2 PHE 105 HD2 PHE 105 8.565 2.612 -2.891 823 HE1 PHE 105 HE1 PHE 105 13.449 3.140 -2.710 824 HE2 PHE 105 HE2 PHE 105 9.975 0.725 -2.196 825 HZ PHE 105 HZ PHE 105 12.423 0.988 -2.105 826 H TYR 106 H TYR 106 9.983 6.828 -7.198 827 HA TYR 106 HA TYR 106 11.623 8.867 -5.929 828 1HB TYR 106 2HB TYR 106 13.158 6.982 -6.352 829 2HB TYR 106 1HB TYR 106 12.703 6.983 -8.044 830 HD1 TYR 106 HD1 TYR 106 14.964 7.087 -8.728 831 HD2 TYR 106 HD2 TYR 106 13.381 10.204 -6.294 832 HE1 TYR 106 HE1 TYR 106 16.909 8.469 -9.263 833 HE2 TYR 106 HE2 TYR 106 15.316 11.614 -6.844 834 HH TYR 106 HH TYR 106 18.042 10.704 -7.788 835 H CYS 107 H CYS 107 10.201 10.422 -6.623 836 HA CYS 107 HA CYS 107 9.607 10.629 -9.486 837 1HB CYS 107 2HB CYS 107 8.493 12.208 -7.167 838 2HB CYS 107 1HB CYS 107 7.955 12.321 -8.835 839 H GLN 108 HN GLN 108 11.542 11.396 -10.279 840 HA GLN 108 HA GLN 108 12.626 13.872 -9.205 841 1HB GLN 108 1HB GLN 108 14.104 11.907 -9.726 842 2HB GLN 108 2HB GLN 108 13.716 12.132 -11.425 843 1HG GLN 108 2HG GLN 108 14.641 14.420 -11.275 844 2HG GLN 108 1HG GLN 108 15.138 14.062 -9.623 845 1HE2 GLN 108 1HE2 GLN 108 17.204 13.608 -9.479 846 2HE2 GLN 108 2HE2 GLN 108 18.152 12.758 -10.646 Start of MODEL 9 1 1H MET 1 1HT MET 1 6.050 13.706 -6.261 2 2H MET 1 2HT MET 1 6.692 15.270 -6.229 3 3H MET 1 3HT MET 1 7.370 14.059 -5.264 4 HA MET 1 HA MET 1 7.835 12.822 -7.421 5 1HB MET 1 2HB MET 1 7.347 15.647 -8.419 6 2HB MET 1 1HB MET 1 8.060 14.352 -9.371 7 1HG MET 1 1HG MET 1 6.003 13.072 -9.213 8 2HG MET 1 2HG MET 1 5.284 14.327 -8.205 9 1HE MET 1 1HE MET 1 3.869 13.329 -11.223 10 2HE MET 1 2HE MET 1 3.152 14.940 -11.254 11 3HE MET 1 3HE MET 1 3.340 14.088 -9.721 12 H GLY 2 H GLY 2 9.506 12.751 -5.727 13 1HA GLY 2 2HA GLY 2 11.843 14.259 -6.562 14 2HA GLY 2 1HA GLY 2 11.305 14.593 -4.925 15 HA PRO 3 HA PRO 3 13.960 10.709 -4.968 16 1HB PRO 3 2HB PRO 3 16.333 11.912 -4.087 17 2HB PRO 3 1HB PRO 3 15.982 11.357 -5.715 18 1HG PRO 3 1HG PRO 3 16.335 14.016 -4.854 19 2HG PRO 3 2HG PRO 3 15.856 13.463 -6.458 20 1HD PRO 3 1HD PRO 3 14.216 14.577 -4.284 21 2HD PRO 3 2HD PRO 3 13.903 14.514 -6.028 22 H MET 4 H MET 4 13.374 9.645 -3.221 23 HA MET 4 HA MET 4 13.870 10.820 -0.555 24 1HB MET 4 1HB MET 4 11.553 9.031 -1.291 25 2HB MET 4 2HB MET 4 11.785 9.903 0.214 26 1HG MET 4 2HG MET 4 11.467 12.018 -0.937 27 2HG MET 4 1HG MET 4 11.279 11.165 -2.469 28 1HE MET 4 1HE MET 4 9.664 8.568 -1.279 29 2HE MET 4 2HE MET 4 9.314 9.310 -2.843 30 3HE MET 4 3HE MET 4 8.013 9.047 -1.680 31 HA PRO 5 HA PRO 5 15.785 6.920 0.547 32 1HB PRO 5 1HB PRO 5 14.987 6.402 3.066 33 2HB PRO 5 2HB PRO 5 16.060 7.751 2.685 34 1HG PRO 5 1HG PRO 5 13.108 7.764 3.173 35 2HG PRO 5 2HG PRO 5 14.348 8.873 3.789 36 1HD PRO 5 1HD PRO 5 12.759 9.453 1.662 37 2HD PRO 5 2HD PRO 5 14.409 10.083 1.837 38 H LYS 6 H LYS 6 15.225 4.681 1.708 39 HA LYS 6 HA LYS 6 13.002 3.591 0.201 40 1HB LYS 6 1HB LYS 6 15.026 2.131 1.899 41 2HB LYS 6 2HB LYS 6 13.961 1.432 0.690 42 1HG LYS 6 2HG LYS 6 15.130 2.718 -1.054 43 2HG LYS 6 1HG LYS 6 16.227 3.346 0.172 44 1HD LYS 6 2HD LYS 6 15.874 0.404 -0.368 45 2HD LYS 6 1HD LYS 6 17.091 1.394 -1.173 46 1HE LYS 6 1HE LYS 6 18.067 1.961 1.002 47 2HE LYS 6 2HE LYS 6 16.852 0.966 1.805 48 1HZ LYS 6 1HZ LYS 6 17.762 -0.979 0.910 49 2HZ LYS 6 2HZ LYS 6 19.101 -0.079 1.413 50 3HZ LYS 6 3HZ LYS 6 18.694 -0.142 -0.228 51 H LEU 7 H LEU 7 11.126 2.898 1.008 52 HA LEU 7 HA LEU 7 10.627 3.163 3.875 53 1HB LEU 7 2HB LEU 7 8.771 2.628 1.546 54 2HB LEU 7 1HB LEU 7 8.242 2.684 3.214 55 HG LEU 7 HG LEU 7 9.509 5.024 1.780 56 1HD1 LEU 7 1HD2 LEU 7 6.647 5.110 2.431 57 2HD1 LEU 7 2HD2 LEU 7 7.084 3.981 1.149 58 3HD1 LEU 7 3HD2 LEU 7 7.508 5.687 1.003 59 1HD2 LEU 7 1HD1 LEU 7 8.422 4.575 4.503 60 2HD2 LEU 7 2HD1 LEU 7 8.085 6.127 3.733 61 3HD2 LEU 7 3HD1 LEU 7 9.754 5.601 3.968 62 H ALA 8 H ALA 8 10.953 0.788 1.367 63 HA ALA 8 HA ALA 8 10.995 -1.367 3.325 64 1HB ALA 8 1HB ALA 8 9.526 -2.337 1.074 65 2HB ALA 8 2HB ALA 8 8.720 -0.904 1.710 66 3HB ALA 8 3HB ALA 8 9.042 -2.277 2.768 67 H ASP 9 H ASP 9 11.334 -3.541 1.779 68 HA ASP 9 HA ASP 9 13.424 -2.820 -0.151 69 1HB ASP 9 1HB ASP 9 14.723 -4.838 0.628 70 2HB ASP 9 2HB ASP 9 14.667 -3.487 1.746 71 H ARG 10 H ARG 10 11.249 -5.443 0.899 72 HA ARG 10 HA ARG 10 11.041 -6.250 -1.924 73 1HB ARG 10 2HB ARG 10 11.419 -8.018 0.476 74 2HB ARG 10 1HB ARG 10 10.621 -8.623 -0.961 75 1HG ARG 10 2HG ARG 10 12.782 -9.313 -1.293 76 2HG ARG 10 1HG ARG 10 12.763 -7.787 -2.175 77 1HD ARG 10 2HD ARG 10 13.790 -6.660 -0.277 78 2HD ARG 10 1HD ARG 10 13.778 -8.166 0.639 79 HE ARG 10 HE ARG 10 15.151 -8.599 -1.760 80 1HH1 ARG 10 1HH1 ARG 10 15.560 -6.799 1.222 81 2HH1 ARG 10 2HH1 ARG 10 17.288 -6.856 1.154 82 1HH2 ARG 10 1HH2 ARG 10 17.418 -8.663 -1.832 83 2HH2 ARG 10 2HH2 ARG 10 18.340 -7.909 -0.575 84 H LYS 11 H LYS 11 9.047 -7.231 -2.530 85 HA LYS 11 HA LYS 11 6.801 -6.861 -0.680 86 1HB LYS 11 2HB LYS 11 5.506 -5.765 -2.486 87 2HB LYS 11 1HB LYS 11 6.911 -4.825 -2.001 88 1HG LYS 11 2HG LYS 11 8.095 -5.987 -3.976 89 2HG LYS 11 1HG LYS 11 6.462 -6.380 -4.519 90 1HD LYS 11 2HD LYS 11 5.892 -3.991 -4.460 91 2HD LYS 11 1HD LYS 11 7.549 -3.627 -3.970 92 1HE LYS 11 2HE LYS 11 8.382 -4.587 -6.054 93 2HE LYS 11 1HE LYS 11 6.734 -4.975 -6.543 94 1HZ LYS 11 1HZ LYS 11 6.202 -2.692 -6.715 95 2HZ LYS 11 2HZ LYS 11 7.679 -2.892 -7.515 96 3HZ LYS 11 3HZ LYS 11 7.642 -2.213 -5.966 97 H LEU 12 H LEU 12 4.748 -7.857 -1.601 98 HA LEU 12 HA LEU 12 5.423 -10.394 -2.915 99 1HB LEU 12 2HB LEU 12 3.009 -9.615 -1.269 100 2HB LEU 12 1HB LEU 12 3.129 -11.119 -2.145 101 HG LEU 12 HG LEU 12 3.562 -11.585 0.145 102 1HD1 LEU 12 1HD2 LEU 12 5.391 -12.880 -0.098 103 2HD1 LEU 12 2HD2 LEU 12 6.382 -11.561 -0.725 104 3HD1 LEU 12 3HD2 LEU 12 5.233 -12.382 -1.782 105 1HD2 LEU 12 1HD1 LEU 12 4.430 -9.045 0.395 106 2HD2 LEU 12 2HD1 LEU 12 5.957 -9.924 0.459 107 3HD2 LEU 12 3HD1 LEU 12 4.671 -10.305 1.605 108 H CYS 13 H CYS 13 4.769 -10.789 -4.912 109 HA CYS 13 HA CYS 13 2.599 -9.176 -6.069 110 1HB CYS 13 2HB CYS 13 5.236 -9.859 -7.389 111 2HB CYS 13 1HB CYS 13 3.871 -9.107 -8.206 112 H ALA 14 H ALA 14 1.888 -10.173 -8.239 113 HA ALA 14 HA ALA 14 1.160 -12.905 -7.729 114 1HB ALA 14 1HB ALA 14 -0.168 -12.702 -9.787 115 2HB ALA 14 2HB ALA 14 0.542 -11.112 -10.067 116 3HB ALA 14 3HB ALA 14 -0.475 -11.386 -8.653 117 H ASP 15 H ASP 15 3.446 -11.245 -9.777 118 HA ASP 15 HA ASP 15 4.716 -13.754 -10.428 119 1HB ASP 15 1HB ASP 15 4.793 -13.158 -12.911 120 2HB ASP 15 2HB ASP 15 3.267 -13.777 -12.290 121 H GLN 16 H GLN 16 6.654 -13.206 -12.032 122 HA GLN 16 HA GLN 16 8.446 -11.612 -10.580 123 1HB GLN 16 2HB GLN 16 9.000 -13.558 -12.063 124 2HB GLN 16 1HB GLN 16 8.744 -12.509 -13.449 125 1HG GLN 16 2HG GLN 16 10.560 -11.060 -12.692 126 2HG GLN 16 1HG GLN 16 10.818 -12.113 -11.302 127 1HE2 GLN 16 1HE2 GLN 16 12.449 -13.446 -11.528 128 2HE2 GLN 16 2HE2 GLN 16 13.015 -14.134 -13.008 129 H GLU 17 H GLU 17 6.239 -10.742 -13.104 130 HA GLU 17 HA GLU 17 7.640 -8.276 -13.755 131 1HB GLU 17 2HB GLU 17 4.975 -9.359 -14.695 132 2HB GLU 17 1HB GLU 17 5.700 -7.873 -15.276 133 1HG GLU 17 2HG GLU 17 7.022 -10.565 -15.528 134 2HG GLU 17 1HG GLU 17 5.967 -9.880 -16.760 135 H CYS 18 H CYS 18 5.156 -9.384 -11.640 136 HA CYS 18 HA CYS 18 3.728 -8.396 -10.177 137 1HB CYS 18 2HB CYS 18 6.008 -7.502 -9.416 138 2HB CYS 18 1HB CYS 18 5.569 -6.000 -10.222 139 H SER 19 H SER 19 3.261 -8.079 -12.960 140 HA SER 19 HA SER 19 2.053 -5.435 -13.235 141 1HB SER 19 2HB SER 19 3.552 -6.208 -15.018 142 2HB SER 19 1HB SER 19 2.517 -7.599 -15.269 143 HG SER 19 HG SER 19 1.882 -4.876 -15.706 144 H HIS 20 H HIS 20 1.150 -8.282 -12.001 145 HA HIS 20 HA HIS 20 -1.572 -8.240 -13.110 146 1HB HIS 20 2HB HIS 20 0.154 -10.359 -11.950 147 2HB HIS 20 1HB HIS 20 -1.569 -10.480 -11.637 148 HD1 HIS 20 HD1 HIS 20 -0.992 -12.751 -13.054 149 HD2 HIS 20 HD2 HIS 20 -1.166 -9.184 -15.170 150 HE1 HIS 20 HE1 HIS 20 -1.417 -13.412 -15.426 151 HE2 HIS 20 HE2 HIS 20 -1.586 -11.236 -16.694 152 HA PRO 21 HA PRO 21 -3.000 -6.897 -9.090 153 1HB PRO 21 1HB PRO 21 -5.675 -7.231 -9.467 154 2HB PRO 21 2HB PRO 21 -4.744 -5.935 -10.221 155 1HG PRO 21 1HG PRO 21 -5.978 -8.262 -11.455 156 2HG PRO 21 2HG PRO 21 -5.287 -6.825 -12.225 157 1HD PRO 21 1HD PRO 21 -4.106 -9.471 -11.856 158 2HD PRO 21 2HD PRO 21 -3.547 -8.116 -12.868 159 H ILE 22 H ILE 22 -2.839 -7.964 -7.225 160 HA ILE 22 HA ILE 22 -3.332 -10.754 -7.008 161 HB ILE 22 HB ILE 22 -2.891 -8.798 -4.740 162 1HG1 ILE 22 2HG1 ILE 22 -0.791 -10.505 -6.087 163 2HG1 ILE 22 1HG1 ILE 22 -1.121 -8.850 -6.599 164 1HG2 ILE 22 1HG2 ILE 22 -3.692 -11.397 -4.570 165 2HG2 ILE 22 2HG2 ILE 22 -2.746 -10.563 -3.336 166 3HG2 ILE 22 3HG2 ILE 22 -1.936 -11.576 -4.529 167 1HD1 ILE 22 1HD1 ILE 22 0.014 -9.811 -4.001 168 2HD1 ILE 22 2HD1 ILE 22 -0.672 -8.196 -4.178 169 3HD1 ILE 22 3HD1 ILE 22 0.706 -8.682 -5.164 170 H SER 23 H SER 23 -4.840 -8.081 -5.139 171 HA SER 23 HA SER 23 -7.371 -9.567 -5.286 172 1HB SER 23 2HB SER 23 -6.375 -10.083 -3.115 173 2HB SER 23 1HB SER 23 -6.203 -8.364 -2.767 174 HG SER 23 HG SER 23 -8.284 -8.220 -2.359 175 H MET 24 H MET 24 -9.187 -8.406 -5.445 176 HA MET 24 HA MET 24 -8.936 -5.558 -5.992 177 1HB MET 24 1HB MET 24 -10.230 -7.284 -7.427 178 2HB MET 24 2HB MET 24 -11.456 -7.205 -6.170 179 1HG MET 24 2HG MET 24 -11.452 -4.687 -6.558 180 2HG MET 24 1HG MET 24 -10.542 -5.043 -8.023 181 1HE MET 24 1HE MET 24 -14.266 -7.208 -6.985 182 2HE MET 24 2HE MET 24 -14.701 -5.509 -6.798 183 3HE MET 24 3HE MET 24 -13.328 -6.172 -5.910 184 H ALA 25 H ALA 25 -9.185 -4.188 -4.319 185 HA ALA 25 HA ALA 25 -11.047 -4.964 -2.169 186 1HB ALA 25 1HB ALA 25 -8.368 -4.512 -1.921 187 2HB ALA 25 2HB ALA 25 -9.545 -4.402 -0.613 188 3HB ALA 25 3HB ALA 25 -9.048 -2.947 -1.476 189 H VAL 26 H VAL 26 -12.501 -3.528 -1.397 190 HA VAL 26 HA VAL 26 -12.937 -1.102 -2.998 191 HB VAL 26 HB VAL 26 -14.819 -2.427 -1.022 192 1HG1 VAL 26 1HG2 VAL 26 -14.935 0.133 -1.962 193 2HG1 VAL 26 2HG2 VAL 26 -16.327 -0.813 -1.433 194 3HG1 VAL 26 3HG2 VAL 26 -15.918 -0.730 -3.145 195 1HG2 VAL 26 1HG1 VAL 26 -14.100 -3.188 -3.683 196 2HG2 VAL 26 2HG1 VAL 26 -15.782 -2.657 -3.662 197 3HG2 VAL 26 3HG1 VAL 26 -15.251 -3.946 -2.583 198 H ALA 27 H ALA 27 -12.852 0.924 -2.143 199 HA ALA 27 HA ALA 27 -11.493 1.326 0.332 200 1HB ALA 27 1HB ALA 27 -11.114 3.393 -0.427 201 2HB ALA 27 2HB ALA 27 -12.807 3.660 -0.846 202 3HB ALA 27 3HB ALA 27 -11.755 2.771 -1.949 203 H LEU 28 H LEU 28 -12.211 1.882 2.284 204 HA LEU 28 HA LEU 28 -15.098 1.901 2.731 205 1HB LEU 28 2HB LEU 28 -12.764 1.546 4.603 206 2HB LEU 28 1HB LEU 28 -14.431 1.626 5.140 207 HG LEU 28 HG LEU 28 -13.381 -0.471 3.237 208 1HD1 LEU 28 1HD2 LEU 28 -12.226 -0.946 5.190 209 2HD1 LEU 28 2HD2 LEU 28 -13.684 -1.926 5.345 210 3HD1 LEU 28 3HD2 LEU 28 -13.548 -0.403 6.223 211 1HD2 LEU 28 1HD1 LEU 28 -15.683 -1.207 4.783 212 2HD2 LEU 28 2HD1 LEU 28 -15.485 -1.147 3.031 213 3HD2 LEU 28 3HD1 LEU 28 -15.996 0.294 3.910 214 H GLN 29 H GLN 29 -12.381 4.063 2.803 215 HA GLN 29 HA GLN 29 -14.152 6.225 3.613 216 1HB GLN 29 2HB GLN 29 -12.545 7.074 5.314 217 2HB GLN 29 1HB GLN 29 -13.309 5.556 5.758 218 1HG GLN 29 2HG GLN 29 -11.314 4.333 5.168 219 2HG GLN 29 1HG GLN 29 -10.548 5.805 4.586 220 1HE2 GLN 29 1HE2 GLN 29 -12.159 6.893 7.189 221 2HE2 GLN 29 2HE2 GLN 29 -10.972 6.644 8.412 222 H ASP 30 H ASP 30 -12.692 8.352 3.776 223 HA ASP 30 HA ASP 30 -11.521 8.654 1.140 224 1HB ASP 30 1HB ASP 30 -12.085 10.687 3.310 225 2HB ASP 30 2HB ASP 30 -11.521 11.069 1.685 226 H TYR 31 H TYR 31 -9.477 9.536 0.730 227 HA TYR 31 HA TYR 31 -7.555 9.841 2.877 228 1HB TYR 31 2HB TYR 31 -7.632 7.350 2.157 229 2HB TYR 31 1HB TYR 31 -6.889 7.904 0.664 230 HD1 TYR 31 HD1 TYR 31 -4.577 8.022 0.516 231 HD2 TYR 31 HD2 TYR 31 -6.390 8.056 4.368 232 HE1 TYR 31 HE1 TYR 31 -2.353 7.920 1.559 233 HE2 TYR 31 HE2 TYR 31 -4.171 7.953 5.419 234 HH TYR 31 HH TYR 31 -1.847 7.117 4.731 235 H MET 32 H MET 32 -5.965 11.277 2.354 236 HA MET 32 HA MET 32 -5.889 12.237 -0.433 237 1HB MET 32 2HB MET 32 -5.442 13.736 2.150 238 2HB MET 32 1HB MET 32 -4.957 14.371 0.587 239 1HG MET 32 1HG MET 32 -7.010 15.361 1.054 240 2HG MET 32 2HG MET 32 -7.337 14.109 -0.131 241 1HE MET 32 1HE MET 32 -9.469 15.270 0.781 242 2HE MET 32 2HE MET 32 -10.244 14.906 2.322 243 3HE MET 32 3HE MET 32 -10.431 13.802 0.960 244 H ALA 33 H ALA 33 -3.938 12.401 -1.466 245 HA ALA 33 HA ALA 33 -1.701 11.054 -0.155 246 1HB ALA 33 1HB ALA 33 -0.777 11.219 -2.579 247 2HB ALA 33 2HB ALA 33 -2.455 11.576 -2.984 248 3HB ALA 33 3HB ALA 33 -2.044 10.060 -2.185 249 HA PRO 34 HA PRO 34 0.225 15.158 0.069 250 1HB PRO 34 1HB PRO 34 1.856 14.544 2.180 251 2HB PRO 34 2HB PRO 34 0.220 15.161 2.320 252 1HG PRO 34 2HG PRO 34 1.233 12.547 2.970 253 2HG PRO 34 1HG PRO 34 -0.361 13.236 3.258 254 1HD PRO 34 1HD PRO 34 0.478 11.382 1.207 255 2HD PRO 34 2HD PRO 34 -1.154 11.848 1.699 256 H ASP 35 H ASP 35 2.044 12.121 0.410 257 HA ASP 35 HA ASP 35 4.445 13.283 -0.744 258 1HB ASP 35 2HB ASP 35 4.396 11.752 1.279 259 2HB ASP 35 1HB ASP 35 3.983 10.451 0.176 260 H CYS 36 H CYS 36 5.621 12.068 -2.442 261 HA CYS 36 HA CYS 36 4.129 11.787 -4.796 262 1HB CYS 36 1HB CYS 36 6.488 12.373 -4.829 263 2HB CYS 36 2HB CYS 36 6.916 10.809 -4.145 264 H ARG 37 H ARG 37 5.554 9.281 -2.703 265 HA ARG 37 HA ARG 37 4.634 7.122 -4.326 266 1HB ARG 37 2HB ARG 37 5.811 7.253 -1.565 267 2HB ARG 37 1HB ARG 37 5.279 5.739 -2.283 268 1HG ARG 37 2HG ARG 37 6.833 6.174 -4.182 269 2HG ARG 37 1HG ARG 37 7.445 7.569 -3.288 270 1HD ARG 37 2HD ARG 37 8.868 5.611 -2.955 271 2HD ARG 37 1HD ARG 37 8.106 6.112 -1.446 272 HE ARG 37 HE ARG 37 6.539 4.145 -2.730 273 1HH1 ARG 37 1HH1 ARG 37 9.489 4.479 -0.881 274 2HH1 ARG 37 2HH1 ARG 37 9.448 2.847 -0.305 275 1HH2 ARG 37 1HH2 ARG 37 6.495 2.011 -1.962 276 2HH2 ARG 37 2HH2 ARG 37 7.756 1.451 -0.916 277 H PHE 38 H PHE 38 2.785 9.135 -2.491 278 HA PHE 38 HA PHE 38 1.038 6.977 -1.531 279 1HB PHE 38 2HB PHE 38 1.309 9.873 -0.797 280 2HB PHE 38 1HB PHE 38 -0.187 9.017 -0.451 281 HD1 PHE 38 HD1 PHE 38 3.490 8.254 -0.059 282 HD2 PHE 38 HD2 PHE 38 -0.381 8.367 1.722 283 HE1 PHE 38 HE1 PHE 38 4.433 7.399 2.041 284 HE2 PHE 38 HE2 PHE 38 0.566 7.511 3.824 285 HZ PHE 38 HZ PHE 38 2.973 7.028 3.986 286 H LEU 39 H LEU 39 -1.167 6.888 -2.058 287 HA LEU 39 HA LEU 39 -1.899 8.351 -4.524 288 1HB LEU 39 2HB LEU 39 -1.712 5.618 -4.128 289 2HB LEU 39 1HB LEU 39 -3.425 5.922 -3.935 290 HG LEU 39 HG LEU 39 -1.791 6.642 -6.380 291 1HD1 LEU 39 1HD1 LEU 39 -2.264 4.174 -5.840 292 2HD1 LEU 39 2HD1 LEU 39 -2.677 4.775 -7.446 293 3HD1 LEU 39 3HD1 LEU 39 -3.940 4.560 -6.233 294 1HD2 LEU 39 1HD2 LEU 39 -3.482 8.127 -6.626 295 2HD2 LEU 39 2HD2 LEU 39 -4.573 7.231 -5.569 296 3HD2 LEU 39 3HD2 LEU 39 -4.323 6.701 -7.232 297 H THR 40 H THR 40 -3.926 9.290 -4.684 298 HA THR 40 HA THR 40 -5.348 9.718 -2.175 299 HB THR 40 HB THR 40 -5.800 10.957 -4.909 300 HG1 THR 40 HG1 THR 40 -4.668 12.699 -4.084 301 1HG2 THR 40 1HG2 THR 40 -7.614 11.009 -2.927 302 2HG2 THR 40 2HG2 THR 40 -7.373 12.328 -4.073 303 3HG2 THR 40 3HG2 THR 40 -6.623 12.398 -2.478 304 H ILE 41 H ILE 41 -7.124 8.650 -1.637 305 HA ILE 41 HA ILE 41 -8.684 7.297 -3.746 306 HB ILE 41 HB ILE 41 -7.773 6.179 -1.084 307 1HG1 ILE 41 1HG1 ILE 41 -7.595 4.953 -3.840 308 2HG1 ILE 41 2HG1 ILE 41 -6.345 6.027 -3.207 309 1HG2 ILE 41 1HG2 ILE 41 -10.022 5.497 -1.139 310 2HG2 ILE 41 2HG2 ILE 41 -9.127 4.128 -1.800 311 3HG2 ILE 41 3HG2 ILE 41 -9.990 5.221 -2.881 312 1HD1 ILE 41 1HD1 ILE 41 -6.968 3.230 -2.526 313 2HD1 ILE 41 2HD1 ILE 41 -6.486 4.272 -1.187 314 3HD1 ILE 41 3HD1 ILE 41 -5.420 4.074 -2.577 315 H HIS 42 H HIS 42 -10.875 7.377 -3.579 316 HA HIS 42 HA HIS 42 -11.993 8.963 -1.371 317 1HB HIS 42 2HB HIS 42 -13.070 8.426 -4.152 318 2HB HIS 42 1HB HIS 42 -13.947 9.302 -2.902 319 HD1 HIS 42 HD1 HIS 42 -12.285 11.408 -1.904 320 HD2 HIS 42 HD2 HIS 42 -11.877 10.147 -5.841 321 HE1 HIS 42 HE1 HIS 42 -11.166 13.312 -3.106 322 HE2 HIS 42 HE2 HIS 42 -10.865 12.498 -5.472 323 H ARG 43 H ARG 43 -14.062 8.310 -0.509 324 HA ARG 43 HA ARG 43 -14.141 5.601 0.231 325 1HB ARG 43 2HB ARG 43 -15.027 7.494 1.579 326 2HB ARG 43 1HB ARG 43 -16.354 7.651 0.440 327 1HG ARG 43 1HG ARG 43 -17.113 5.398 1.019 328 2HG ARG 43 2HG ARG 43 -15.780 5.250 2.167 329 1HD ARG 43 2HD ARG 43 -17.830 5.842 3.325 330 2HD ARG 43 1HD ARG 43 -16.663 7.156 3.430 331 HE ARG 43 HE ARG 43 -18.143 8.492 2.326 332 1HH1 ARG 43 1HH1 ARG 43 -19.113 5.168 1.737 333 2HH1 ARG 43 2HH1 ARG 43 -20.537 5.621 0.863 334 1HH2 ARG 43 1HH2 ARG 43 -20.016 9.058 1.181 335 2HH2 ARG 43 2HH2 ARG 43 -21.047 7.819 0.549 336 H GLY 44 H GLY 44 -14.723 3.911 -0.966 337 1HA GLY 44 1HA GLY 44 -16.467 2.659 -2.014 338 2HA GLY 44 2HA GLY 44 -17.114 4.156 -2.658 339 H GLN 45 H GLN 45 -13.788 4.228 -3.137 340 HA GLN 45 HA GLN 45 -14.149 3.726 -5.951 341 1HB GLN 45 1HB GLN 45 -11.669 4.454 -4.377 342 2HB GLN 45 2HB GLN 45 -11.709 4.253 -6.124 343 1HG GLN 45 2HG GLN 45 -13.590 6.017 -6.054 344 2HG GLN 45 1HG GLN 45 -12.957 6.381 -4.448 345 1HE2 GLN 45 1HE2 GLN 45 -12.888 7.425 -7.465 346 2HE2 GLN 45 2HE2 GLN 45 -11.292 8.077 -7.557 347 H VAL 46 H VAL 46 -13.377 2.096 -7.189 348 HA VAL 46 HA VAL 46 -12.744 -0.398 -5.843 349 HB VAL 46 HB VAL 46 -12.745 0.004 -8.834 350 1HG1 VAL 46 1HG1 VAL 46 -11.936 -2.122 -8.208 351 2HG1 VAL 46 2HG1 VAL 46 -13.597 -2.369 -8.746 352 3HG1 VAL 46 3HG1 VAL 46 -13.222 -2.346 -7.023 353 1HG2 VAL 46 1HG2 VAL 46 -14.933 0.343 -8.959 354 2HG2 VAL 46 2HG2 VAL 46 -14.947 0.581 -7.210 355 3HG2 VAL 46 3HG2 VAL 46 -15.261 -1.018 -7.884 356 H VAL 47 H VAL 47 -10.674 -0.380 -5.066 357 HA VAL 47 HA VAL 47 -8.538 0.507 -6.881 358 HB VAL 47 HB VAL 47 -8.262 -0.025 -3.921 359 1HG1 VAL 47 1HG1 VAL 47 -6.298 1.512 -4.203 360 2HG1 VAL 47 2HG1 VAL 47 -6.547 1.399 -5.945 361 3HG1 VAL 47 3HG1 VAL 47 -6.149 -0.045 -5.016 362 1HG2 VAL 47 1HG2 VAL 47 -8.375 2.447 -3.653 363 2HG2 VAL 47 2HG2 VAL 47 -9.903 1.718 -4.149 364 3HG2 VAL 47 3HG2 VAL 47 -8.904 2.563 -5.332 365 H TYR 48 H TYR 48 -7.259 -0.907 -7.815 366 HA TYR 48 HA TYR 48 -7.386 -3.713 -7.050 367 1HB TYR 48 2HB TYR 48 -6.281 -2.268 -9.455 368 2HB TYR 48 1HB TYR 48 -5.899 -3.951 -9.151 369 HD1 TYR 48 HD1 TYR 48 -9.238 -2.285 -8.678 370 HD2 TYR 48 HD2 TYR 48 -6.888 -5.004 -10.964 371 HE1 TYR 48 HE1 TYR 48 -11.241 -2.966 -9.926 372 HE2 TYR 48 HE2 TYR 48 -8.891 -5.694 -12.206 373 HH TYR 48 HH TYR 48 -11.272 -5.697 -12.012 374 H VAL 49 H VAL 49 -5.851 -4.663 -5.844 375 HA VAL 49 HA VAL 49 -3.450 -3.168 -5.147 376 HB VAL 49 HB VAL 49 -4.331 -5.887 -4.143 377 1HG1 VAL 49 1HG1 VAL 49 -2.829 -5.403 -2.250 378 2HG1 VAL 49 2HG1 VAL 49 -2.311 -3.925 -3.060 379 3HG1 VAL 49 3HG1 VAL 49 -1.968 -5.494 -3.786 380 1HG2 VAL 49 1HG2 VAL 49 -4.601 -3.707 -2.261 381 2HG2 VAL 49 2HG2 VAL 49 -5.782 -4.920 -2.756 382 3HG2 VAL 49 3HG2 VAL 49 -5.584 -3.445 -3.702 383 H PHE 50 H PHE 50 -1.424 -3.626 -5.839 384 HA PHE 50 HA PHE 50 -1.103 -5.917 -7.648 385 1HB PHE 50 1HB PHE 50 0.067 -3.156 -7.732 386 2HB PHE 50 2HB PHE 50 0.876 -4.492 -8.542 387 HD1 PHE 50 HD1 PHE 50 -2.462 -2.816 -8.346 388 HD2 PHE 50 HD2 PHE 50 0.313 -5.017 -10.708 389 HE1 PHE 50 HE1 PHE 50 -3.913 -2.534 -10.312 390 HE2 PHE 50 HE2 PHE 50 -1.136 -4.737 -12.675 391 HZ PHE 50 HZ PHE 50 -3.251 -3.494 -12.479 392 H SER 51 H SER 51 0.247 -4.281 -4.846 393 HA SER 51 HA SER 51 1.935 -6.596 -4.370 394 1HB SER 51 2HB SER 51 3.968 -5.214 -3.986 395 2HB SER 51 1HB SER 51 3.467 -5.276 -5.674 396 HG SER 51 HG SER 51 3.095 -3.167 -3.819 397 H LYS 52 H LYS 52 2.928 -6.677 -2.282 398 HA LYS 52 HA LYS 52 1.736 -4.862 -0.270 399 1HB LYS 52 2HB LYS 52 2.280 -7.678 0.533 400 2HB LYS 52 1HB LYS 52 1.051 -6.573 1.107 401 1HG LYS 52 2HG LYS 52 -0.136 -6.902 -1.079 402 2HG LYS 52 1HG LYS 52 1.006 -8.199 -1.415 403 1HD LYS 52 1HD LYS 52 0.330 -9.226 0.774 404 2HD LYS 52 2HD LYS 52 -1.000 -8.064 0.801 405 1HE LYS 52 2HE LYS 52 -1.761 -10.143 -0.136 406 2HE LYS 52 1HE LYS 52 -1.747 -8.909 -1.390 407 1HZ LYS 52 1HZ LYS 52 0.312 -11.013 -0.979 408 2HZ LYS 52 2HZ LYS 52 0.367 -9.814 -2.170 409 3HZ LYS 52 3HZ LYS 52 -0.852 -10.987 -2.208 410 H LEU 53 H LEU 53 3.397 -3.738 0.604 411 HA LEU 53 HA LEU 53 6.104 -4.567 0.391 412 1HB LEU 53 1HB LEU 53 4.996 -2.432 2.207 413 2HB LEU 53 2HB LEU 53 6.653 -2.583 1.648 414 HG LEU 53 HG LEU 53 4.300 -2.030 -0.167 415 1HD1 LEU 53 1HD2 LEU 53 4.674 0.222 0.000 416 2HD1 LEU 53 2HD2 LEU 53 6.342 0.018 0.535 417 3HD1 LEU 53 3HD2 LEU 53 5.013 -0.288 1.655 418 1HD2 LEU 53 1HD1 LEU 53 6.598 -1.104 -1.366 419 2HD2 LEU 53 2HD1 LEU 53 5.760 -2.609 -1.756 420 3HD2 LEU 53 3HD1 LEU 53 7.115 -2.619 -0.624 421 H LYS 54 H LYS 54 7.628 -5.047 2.004 422 HA LYS 54 HA LYS 54 6.502 -6.333 4.412 423 1HB LYS 54 1HB LYS 54 9.004 -7.019 2.852 424 2HB LYS 54 2HB LYS 54 8.540 -7.771 4.369 425 1HG LYS 54 2HG LYS 54 6.564 -8.693 3.342 426 2HG LYS 54 1HG LYS 54 6.928 -7.855 1.832 427 1HD LYS 54 1HD LYS 54 7.681 -10.057 1.512 428 2HD LYS 54 2HD LYS 54 9.132 -9.118 1.836 429 1HE LYS 54 2HE LYS 54 9.212 -11.216 3.047 430 2HE LYS 54 1HE LYS 54 9.087 -9.866 4.173 431 1HZ LYS 54 1HZ LYS 54 6.648 -11.253 3.286 432 2HZ LYS 54 2HZ LYS 54 6.936 -10.409 4.723 433 3HZ LYS 54 3HZ LYS 54 7.608 -11.944 4.497 434 H GLY 55 H GLY 55 8.547 -6.673 6.035 435 1HA GLY 55 1HA GLY 55 10.191 -5.702 7.351 436 2HA GLY 55 2HA GLY 55 10.286 -4.377 6.204 437 H ARG 56 H ARG 56 10.056 -2.584 7.358 438 HA ARG 56 HA ARG 56 8.394 -2.399 9.675 439 1HB ARG 56 2HB ARG 56 8.977 0.012 9.626 440 2HB ARG 56 1HB ARG 56 10.386 -1.035 9.542 441 1HG ARG 56 2HG ARG 56 10.524 -0.660 7.129 442 2HG ARG 56 1HG ARG 56 9.112 0.395 7.215 443 1HD ARG 56 2HD ARG 56 11.730 0.852 8.643 444 2HD ARG 56 1HD ARG 56 11.223 1.658 7.162 445 HE ARG 56 HE ARG 56 10.456 2.322 9.822 446 1HH1 ARG 56 1HH1 ARG 56 9.292 2.376 6.509 447 2HH1 ARG 56 2HH1 ARG 56 8.153 3.643 6.812 448 1HH2 ARG 56 1HH2 ARG 56 8.958 3.983 10.192 449 2HH2 ARG 56 2HH2 ARG 56 7.964 4.552 8.893 450 H GLY 57 H GLY 57 7.879 -2.012 6.311 451 1HA GLY 57 1HA GLY 57 5.339 -0.592 6.760 452 2HA GLY 57 2HA GLY 57 6.189 -0.689 5.224 453 H ARG 58 H ARG 58 5.304 -3.199 7.573 454 HA ARG 58 HA ARG 58 4.489 -5.045 5.577 455 1HB ARG 58 2HB ARG 58 5.362 -5.653 7.838 456 2HB ARG 58 1HB ARG 58 3.860 -5.088 8.539 457 1HG ARG 58 1HG ARG 58 3.721 -7.436 8.415 458 2HG ARG 58 2HG ARG 58 2.700 -6.802 7.133 459 1HD ARG 58 2HD ARG 58 4.468 -7.218 5.497 460 2HD ARG 58 1HD ARG 58 5.503 -7.844 6.778 461 HE ARG 58 HE ARG 58 3.437 -9.244 5.406 462 1HH1 ARG 58 1HH1 ARG 58 5.065 -9.056 8.513 463 2HH1 ARG 58 2HH1 ARG 58 4.648 -10.676 8.956 464 1HH2 ARG 58 1HH2 ARG 58 2.905 -11.363 6.008 465 2HH2 ARG 58 2HH2 ARG 58 3.428 -11.981 7.540 466 H LEU 59 H LEU 59 2.854 -2.571 7.371 467 HA LEU 59 HA LEU 59 0.205 -3.540 6.662 468 1HB LEU 59 1HB LEU 59 1.073 -1.065 8.165 469 2HB LEU 59 2HB LEU 59 -0.593 -1.529 7.890 470 HG LEU 59 HG LEU 59 0.145 -3.745 9.122 471 1HD1 LEU 59 1HD2 LEU 59 2.531 -2.369 9.252 472 2HD1 LEU 59 2HD2 LEU 59 2.067 -3.739 10.261 473 3HD1 LEU 59 3HD2 LEU 59 1.815 -2.092 10.840 474 1HD2 LEU 59 1HD1 LEU 59 -0.161 -2.146 11.317 475 2HD2 LEU 59 2HD1 LEU 59 -1.477 -2.777 10.328 476 3HD2 LEU 59 3HD1 LEU 59 -0.855 -1.153 10.036 477 H PHE 60 H PHE 60 2.603 -1.816 5.162 478 HA PHE 60 HA PHE 60 0.809 -0.012 3.733 479 1HB PHE 60 2HB PHE 60 3.812 -0.268 3.828 480 2HB PHE 60 1HB PHE 60 3.004 0.729 2.626 481 HD1 PHE 60 HD1 PHE 60 2.621 2.942 3.089 482 HD2 PHE 60 HD2 PHE 60 3.146 0.238 6.337 483 HE1 PHE 60 HE1 PHE 60 2.576 4.828 4.666 484 HE2 PHE 60 HE2 PHE 60 3.097 2.121 7.917 485 HZ PHE 60 HZ PHE 60 2.812 4.420 7.083 486 H TRP 61 H TRP 61 -0.077 -0.544 1.900 487 HA TRP 61 HA TRP 61 1.073 -2.732 0.303 488 1HB TRP 61 2HB TRP 61 -1.757 -1.811 0.753 489 2HB TRP 61 1HB TRP 61 -1.342 -2.729 -0.686 490 HD1 TRP 61 HD1 TRP 61 0.609 -3.996 2.254 491 HE1 TRP 61 HE1 TRP 61 -0.443 -6.168 3.132 492 HE3 TRP 61 HE3 TRP 61 -3.826 -3.853 -0.296 493 HZ2 TRP 61 HZ2 TRP 61 -2.831 -7.629 2.801 494 HZ3 TRP 61 HZ3 TRP 61 -5.433 -5.677 0.044 495 HH2 TRP 61 HH2 TRP 61 -4.951 -7.527 1.560 496 H GLY 62 H GLY 62 -0.101 -2.387 -2.101 497 1HA GLY 62 2HA GLY 62 0.077 0.357 -2.998 498 2HA GLY 62 1HA GLY 62 1.451 -0.664 -3.511 499 H GLY 63 H GLY 63 -0.379 0.619 -5.252 500 1HA GLY 63 2HA GLY 63 -0.887 -1.293 -7.151 501 2HA GLY 63 1HA GLY 63 -2.354 -1.236 -6.184 502 H SER 64 H SER 64 -3.421 -0.534 -8.149 503 HA SER 64 HA SER 64 -3.118 2.363 -8.564 504 1HB SER 64 1HB SER 64 -3.555 2.086 -10.954 505 2HB SER 64 2HB SER 64 -2.132 1.154 -10.485 506 HG SER 64 HG SER 64 -3.653 0.016 -11.845 507 H VAL 65 H VAL 65 -5.002 3.523 -8.869 508 HA VAL 65 HA VAL 65 -7.417 2.171 -7.986 509 HB VAL 65 HB VAL 65 -6.830 4.250 -6.865 510 1HG1 VAL 65 1HG1 VAL 65 -5.662 5.576 -8.359 511 2HG1 VAL 65 2HG1 VAL 65 -7.204 6.419 -8.220 512 3HG1 VAL 65 3HG1 VAL 65 -6.878 5.404 -9.624 513 1HG2 VAL 65 1HG2 VAL 65 -9.272 3.549 -7.428 514 2HG2 VAL 65 2HG2 VAL 65 -9.250 4.987 -8.448 515 3HG2 VAL 65 3HG2 VAL 65 -8.950 5.130 -6.716 516 H GLN 66 H GLN 66 -9.157 1.747 -9.170 517 HA GLN 66 HA GLN 66 -9.086 2.436 -12.027 518 1HB GLN 66 1HB GLN 66 -9.096 0.046 -11.482 519 2HB GLN 66 2HB GLN 66 -10.583 0.244 -10.571 520 1HG GLN 66 2HG GLN 66 -11.827 0.705 -12.537 521 2HG GLN 66 1HG GLN 66 -10.361 0.820 -13.513 522 1HE2 GLN 66 1HE2 GLN 66 -12.901 -1.104 -12.744 523 2HE2 GLN 66 2HE2 GLN 66 -12.242 -2.645 -13.166 524 H GLY 67 H GLY 67 -10.690 3.185 -9.136 525 1HA GLY 67 2HA GLY 67 -13.335 3.618 -9.854 526 2HA GLY 67 1HA GLY 67 -12.470 4.541 -8.639 527 H ASP 68 H ASP 68 -10.570 5.805 -10.284 528 HA ASP 68 HA ASP 68 -12.247 7.428 -12.086 529 1HB ASP 68 2HB ASP 68 -10.297 8.387 -9.996 530 2HB ASP 68 1HB ASP 68 -10.788 9.400 -11.346 531 H TYR 69 H TYR 69 -11.420 7.880 -14.027 532 HA TYR 69 HA TYR 69 -8.568 7.770 -14.533 533 1HB TYR 69 2HB TYR 69 -9.386 5.399 -14.790 534 2HB TYR 69 1HB TYR 69 -10.430 5.954 -16.090 535 HD1 TYR 69 HD1 TYR 69 -9.662 5.526 -18.215 536 HD2 TYR 69 HD2 TYR 69 -6.803 6.266 -15.149 537 HE1 TYR 69 HE1 TYR 69 -7.843 5.168 -19.829 538 HE2 TYR 69 HE2 TYR 69 -4.978 5.914 -16.757 539 HH TYR 69 HH TYR 69 -5.172 4.380 -19.451 540 H TYR 70 H TYR 70 -8.402 9.760 -15.366 541 HA TYR 70 HA TYR 70 -10.316 10.590 -17.440 542 1HB TYR 70 2HB TYR 70 -8.533 12.272 -15.669 543 2HB TYR 70 1HB TYR 70 -9.554 12.913 -16.948 544 HD1 TYR 70 HD1 TYR 70 -9.645 11.139 -13.679 545 HD2 TYR 70 HD2 TYR 70 -11.831 13.382 -16.563 546 HE1 TYR 70 HE1 TYR 70 -11.514 11.342 -12.097 547 HE2 TYR 70 HE2 TYR 70 -13.704 13.589 -14.984 548 HH TYR 70 HH TYR 70 -14.439 11.937 -12.770 549 H GLY 71 H GLY 71 -7.199 9.471 -17.028 550 1HA GLY 71 1HA GLY 71 -6.214 9.122 -19.384 551 2HA GLY 71 2HA GLY 71 -6.176 10.878 -19.403 552 H ASP 72 H ASP 72 -4.453 8.118 -18.741 553 HA ASP 72 HA ASP 72 -2.459 7.615 -17.794 554 1HB ASP 72 1HB ASP 72 -1.715 9.417 -19.335 555 2HB ASP 72 2HB ASP 72 -1.928 10.589 -18.038 556 H LEU 73 H LEU 73 -3.528 7.014 -15.845 557 HA LEU 73 HA LEU 73 -2.692 8.651 -13.563 558 1HB LEU 73 2HB LEU 73 -5.210 8.893 -14.268 559 2HB LEU 73 1HB LEU 73 -5.387 7.315 -13.537 560 HG LEU 73 HG LEU 73 -6.062 9.210 -12.071 561 1HD1 LEU 73 1HD2 LEU 73 -5.121 8.360 -10.059 562 2HD1 LEU 73 2HD2 LEU 73 -3.736 7.691 -10.922 563 3HD1 LEU 73 3HD2 LEU 73 -5.344 7.007 -11.169 564 1HD2 LEU 73 1HD1 LEU 73 -3.981 10.581 -12.938 565 2HD2 LEU 73 2HD1 LEU 73 -3.228 9.873 -11.509 566 3HD2 LEU 73 3HD1 LEU 73 -4.682 10.857 -11.343 567 H ALA 74 H ALA 74 -4.164 5.565 -14.564 568 HA ALA 74 HA ALA 74 -2.838 4.187 -12.356 569 1HB ALA 74 1HB ALA 74 -5.005 3.399 -14.279 570 2HB ALA 74 2HB ALA 74 -5.082 3.538 -12.523 571 3HB ALA 74 3HB ALA 74 -4.188 2.211 -13.265 572 H ALA 75 H ALA 75 -0.841 4.941 -13.752 573 HA ALA 75 HA ALA 75 0.037 2.572 -15.239 574 1HB ALA 75 1HB ALA 75 1.273 4.266 -16.776 575 2HB ALA 75 2HB ALA 75 0.020 5.386 -16.242 576 3HB ALA 75 3HB ALA 75 -0.426 3.896 -17.073 577 H ARG 76 H ARG 76 0.712 5.244 -13.159 578 HA ARG 76 HA ARG 76 3.527 4.443 -12.986 579 1HB ARG 76 1HB ARG 76 3.766 6.672 -11.713 580 2HB ARG 76 2HB ARG 76 3.556 6.722 -13.453 581 1HG ARG 76 2HG ARG 76 2.173 8.415 -12.725 582 2HG ARG 76 1HG ARG 76 1.053 7.071 -12.921 583 1HD ARG 76 2HD ARG 76 1.174 6.628 -10.514 584 2HD ARG 76 1HD ARG 76 2.296 7.975 -10.325 585 HE ARG 76 HE ARG 76 -0.026 8.922 -11.566 586 1HH1 ARG 76 1HH1 ARG 76 0.976 7.673 -8.445 587 2HH1 ARG 76 2HH1 ARG 76 -0.233 8.557 -7.576 588 1HH2 ARG 76 1HH2 ARG 76 -1.603 10.073 -10.408 589 2HH2 ARG 76 2HH2 ARG 76 -1.692 9.914 -8.685 590 H LEU 77 H LEU 77 0.790 3.657 -11.580 591 HA LEU 77 HA LEU 77 0.122 2.714 -9.640 592 1HB LEU 77 2HB LEU 77 3.096 2.355 -9.381 593 2HB LEU 77 1HB LEU 77 1.972 1.716 -8.198 594 HG LEU 77 HG LEU 77 1.792 1.007 -11.125 595 1HD1 LEU 77 1HD1 LEU 77 3.831 0.259 -9.276 596 2HD1 LEU 77 2HD1 LEU 77 3.604 -0.255 -10.948 597 3HD1 LEU 77 3HD1 LEU 77 2.831 -1.149 -9.637 598 1HD2 LEU 77 1HD2 LEU 77 0.033 0.604 -9.070 599 2HD2 LEU 77 2HD2 LEU 77 0.961 -0.896 -9.065 600 3HD2 LEU 77 3HD2 LEU 77 0.131 -0.377 -10.534 601 H GLY 78 H GLY 78 0.568 2.666 -7.132 602 1HA GLY 78 1HA GLY 78 1.612 4.982 -5.878 603 2HA GLY 78 2HA GLY 78 -0.121 5.156 -6.107 604 H TYR 79 H TYR 79 1.940 4.505 -3.817 605 HA TYR 79 HA TYR 79 0.790 2.082 -2.743 606 1HB TYR 79 2HB TYR 79 2.841 3.946 -1.527 607 2HB TYR 79 1HB TYR 79 2.408 2.351 -0.913 608 HD1 TYR 79 HD1 TYR 79 4.207 4.184 -3.533 609 HD2 TYR 79 HD2 TYR 79 3.157 0.329 -2.070 610 HE1 TYR 79 HE1 TYR 79 5.896 3.174 -5.003 611 HE2 TYR 79 HE2 TYR 79 4.844 -0.691 -3.539 612 HH TYR 79 HH TYR 79 7.257 1.063 -5.067 613 H PHE 80 H PHE 80 -0.353 1.882 -0.834 614 HA PHE 80 HA PHE 80 -1.370 4.245 0.523 615 1HB PHE 80 2HB PHE 80 -3.758 3.499 0.143 616 2HB PHE 80 1HB PHE 80 -2.947 4.114 -1.295 617 HD1 PHE 80 HD1 PHE 80 -4.140 1.040 0.396 618 HD2 PHE 80 HD2 PHE 80 -2.618 2.740 -3.200 619 HE1 PHE 80 HE1 PHE 80 -4.701 -1.025 -0.815 620 HE2 PHE 80 HE2 PHE 80 -3.181 0.677 -4.414 621 HZ PHE 80 HZ PHE 80 -4.224 -1.208 -3.223 622 HA PRO 81 HA PRO 81 -1.415 1.341 3.928 623 1HB PRO 81 2HB PRO 81 -3.621 2.690 5.260 624 2HB PRO 81 1HB PRO 81 -1.909 2.683 5.688 625 1HG PRO 81 2HG PRO 81 -3.191 4.891 4.766 626 2HG PRO 81 1HG PRO 81 -1.467 4.587 4.489 627 1HD PRO 81 2HD PRO 81 -3.787 4.159 2.639 628 2HD PRO 81 1HD PRO 81 -2.184 4.844 2.295 629 H SER 82 H SER 82 -2.326 -0.609 4.268 630 HA SER 82 HA SER 82 -4.604 -1.456 2.833 631 1HB SER 82 2HB SER 82 -4.318 -3.586 4.025 632 2HB SER 82 1HB SER 82 -2.769 -2.968 3.458 633 HG SER 82 HG SER 82 -3.644 -3.411 6.008 634 H SER 83 H SER 83 -4.314 0.094 5.858 635 HA SER 83 HA SER 83 -6.555 -0.942 7.216 636 1HB SER 83 2HB SER 83 -4.765 0.289 8.348 637 2HB SER 83 1HB SER 83 -5.227 1.761 7.492 638 HG SER 83 HG SER 83 -6.082 1.262 9.753 639 H ILE 84 H ILE 84 -6.380 1.291 4.555 640 HA ILE 84 HA ILE 84 -9.056 2.312 5.163 641 HB ILE 84 HB ILE 84 -8.787 3.900 3.369 642 1HG1 ILE 84 1HG1 ILE 84 -5.966 2.921 2.967 643 2HG1 ILE 84 2HG1 ILE 84 -7.304 2.327 1.982 644 1HG2 ILE 84 1HG2 ILE 84 -7.752 5.262 4.777 645 2HG2 ILE 84 2HG2 ILE 84 -6.220 4.413 4.579 646 3HG2 ILE 84 3HG2 ILE 84 -7.393 3.849 5.769 647 1HD1 ILE 84 1HD1 ILE 84 -7.559 5.078 1.918 648 2HD1 ILE 84 2HD1 ILE 84 -6.930 4.038 0.639 649 3HD1 ILE 84 3HD1 ILE 84 -5.824 4.787 1.791 650 H VAL 85 H VAL 85 -7.873 -0.345 3.580 651 HA VAL 85 HA VAL 85 -10.137 -0.292 1.687 652 HB VAL 85 HB VAL 85 -8.939 -1.834 0.223 653 1HG1 VAL 85 1HG1 VAL 85 -6.926 0.302 0.629 654 2HG1 VAL 85 2HG1 VAL 85 -8.592 0.792 0.320 655 3HG1 VAL 85 3HG1 VAL 85 -7.741 -0.227 -0.842 656 1HG2 VAL 85 1HG2 VAL 85 -6.367 -1.982 0.732 657 2HG2 VAL 85 2HG2 VAL 85 -7.497 -3.136 1.444 658 3HG2 VAL 85 3HG2 VAL 85 -6.902 -1.776 2.399 659 H ARG 86 H ARG 86 -11.020 -2.401 1.097 660 HA ARG 86 HA ARG 86 -10.919 -4.364 3.281 661 1HB ARG 86 2HB ARG 86 -12.931 -2.861 3.446 662 2HB ARG 86 1HB ARG 86 -13.449 -3.474 1.882 663 1HG ARG 86 1HG ARG 86 -13.590 -5.732 2.805 664 2HG ARG 86 2HG ARG 86 -13.076 -5.118 4.378 665 1HD ARG 86 2HD ARG 86 -15.058 -3.683 4.465 666 2HD ARG 86 1HD ARG 86 -15.571 -4.296 2.893 667 HE ARG 86 HE ARG 86 -15.938 -5.550 5.423 668 1HH1 ARG 86 1HH1 ARG 86 -15.469 -6.266 2.016 669 2HH1 ARG 86 2HH1 ARG 86 -16.200 -7.831 2.130 670 1HH2 ARG 86 1HH2 ARG 86 -16.892 -7.602 5.544 671 2HH2 ARG 86 2HH2 ARG 86 -17.005 -8.586 4.123 672 H GLU 87 H GLU 87 -10.036 -6.093 2.366 673 HA GLU 87 HA GLU 87 -10.262 -6.685 -0.426 674 1HB GLU 87 1HB GLU 87 -9.197 -8.462 1.779 675 2HB GLU 87 2HB GLU 87 -8.905 -8.644 0.056 676 1HG GLU 87 1HG GLU 87 -6.955 -7.692 0.768 677 2HG GLU 87 2HG GLU 87 -7.871 -6.281 0.241 678 H ASP 88 H ASP 88 -11.784 -7.830 -1.426 679 HA ASP 88 HA ASP 88 -13.525 -9.534 0.222 680 1HB ASP 88 2HB ASP 88 -15.348 -8.982 -1.426 681 2HB ASP 88 1HB ASP 88 -14.821 -7.645 -0.410 682 H GLN 89 H GLN 89 -11.871 -9.203 -2.893 683 HA GLN 89 HA GLN 89 -12.127 -12.109 -3.213 684 1HB GLN 89 2HB GLN 89 -14.028 -11.057 -4.441 685 2HB GLN 89 1HB GLN 89 -12.862 -10.202 -5.441 686 1HG GLN 89 1HG GLN 89 -12.152 -12.918 -5.539 687 2HG GLN 89 2HG GLN 89 -13.902 -12.847 -5.729 688 1HE2 GLN 89 1HE2 GLN 89 -11.063 -12.818 -7.346 689 2HE2 GLN 89 2HE2 GLN 89 -11.545 -12.031 -8.801 690 H THR 90 H THR 90 -10.419 -13.088 -4.166 691 HA THR 90 HA THR 90 -8.117 -11.419 -4.878 692 HB THR 90 HB THR 90 -8.281 -14.420 -4.486 693 HG1 THR 90 HG1 THR 90 -7.825 -14.095 -2.441 694 1HG2 THR 90 1HG2 THR 90 -5.721 -13.115 -4.018 695 2HG2 THR 90 2HG2 THR 90 -6.248 -13.075 -5.700 696 3HG2 THR 90 3HG2 THR 90 -6.096 -14.618 -4.861 697 H LEU 91 H LEU 91 -7.692 -11.024 -6.955 698 HA LEU 91 HA LEU 91 -9.189 -12.351 -9.046 699 1HB LEU 91 1HB LEU 91 -7.021 -10.286 -9.391 700 2HB LEU 91 2HB LEU 91 -8.319 -10.673 -10.503 701 HG LEU 91 HG LEU 91 -8.822 -9.447 -7.795 702 1HD1 LEU 91 1HD2 LEU 91 -8.876 -7.291 -8.813 703 2HD1 LEU 91 2HD2 LEU 91 -8.584 -7.979 -10.410 704 3HD1 LEU 91 3HD2 LEU 91 -7.318 -8.030 -9.182 705 1HD2 LEU 91 1HD1 LEU 91 -10.825 -8.604 -9.340 706 2HD2 LEU 91 2HD1 LEU 91 -10.882 -10.118 -8.435 707 3HD2 LEU 91 3HD1 LEU 91 -10.470 -10.132 -10.151 708 H LYS 92 H LYS 92 -5.938 -12.319 -7.815 709 HA LYS 92 HA LYS 92 -5.262 -14.701 -9.255 710 1HB LYS 92 2HB LYS 92 -4.860 -12.813 -10.919 711 2HB LYS 92 1HB LYS 92 -3.559 -12.275 -9.869 712 1HG LYS 92 2HG LYS 92 -2.167 -13.904 -10.543 713 2HG LYS 92 1HG LYS 92 -3.439 -15.124 -10.564 714 1HD LYS 92 1HD LYS 92 -3.089 -13.017 -12.704 715 2HD LYS 92 2HD LYS 92 -2.417 -14.643 -12.801 716 1HE LYS 92 2HE LYS 92 -4.673 -15.588 -12.653 717 2HE LYS 92 1HE LYS 92 -5.347 -13.961 -12.563 718 1HZ LYS 92 1HZ LYS 92 -4.578 -13.501 -14.760 719 2HZ LYS 92 2HZ LYS 92 -5.429 -14.962 -14.808 720 3HZ LYS 92 3HZ LYS 92 -3.737 -14.967 -14.846 721 HA PRO 93 HA PRO 93 -3.176 -15.243 -5.313 722 1HB PRO 93 2HB PRO 93 -1.361 -17.096 -6.633 723 2HB PRO 93 1HB PRO 93 -2.531 -17.394 -5.356 724 1HG PRO 93 1HG PRO 93 -2.766 -18.120 -8.048 725 2HG PRO 93 2HG PRO 93 -4.031 -18.187 -6.811 726 1HD PRO 93 1HD PRO 93 -3.843 -16.441 -9.071 727 2HD PRO 93 2HD PRO 93 -5.120 -16.538 -7.852 728 H GLY 94 H GLY 94 -1.396 -14.491 -4.297 729 1HA GLY 94 1HA GLY 94 0.812 -13.463 -5.973 730 2HA GLY 94 2HA GLY 94 0.176 -12.574 -4.597 731 H LYS 95 H LYS 95 1.926 -15.427 -5.597 732 HA LYS 95 HA LYS 95 3.018 -15.713 -2.875 733 1HB LYS 95 1HB LYS 95 3.427 -18.044 -4.550 734 2HB LYS 95 2HB LYS 95 2.712 -17.935 -2.950 735 1HG LYS 95 2HG LYS 95 1.182 -17.237 -5.426 736 2HG LYS 95 1HG LYS 95 1.277 -18.889 -4.820 737 1HD LYS 95 2HD LYS 95 0.325 -16.557 -3.175 738 2HD LYS 95 1HD LYS 95 -0.757 -17.564 -4.132 739 1HE LYS 95 2HE LYS 95 -0.050 -19.534 -2.848 740 2HE LYS 95 1HE LYS 95 1.029 -18.520 -1.890 741 1HZ LYS 95 1HZ LYS 95 -1.865 -18.792 -1.763 742 2HZ LYS 95 2HZ LYS 95 -1.256 -17.229 -1.543 743 3HZ LYS 95 3HZ LYS 95 -0.750 -18.484 -0.528 744 H VAL 96 H VAL 96 3.853 -14.220 -5.468 745 HA VAL 96 HA VAL 96 6.572 -15.342 -5.658 746 HB VAL 96 HB VAL 96 5.249 -13.579 -7.718 747 1HG1 VAL 96 1HG1 VAL 96 7.442 -15.571 -8.180 748 2HG1 VAL 96 2HG1 VAL 96 7.792 -13.940 -7.609 749 3HG1 VAL 96 3HG1 VAL 96 6.983 -14.177 -9.159 750 1HG2 VAL 96 1HG2 VAL 96 5.426 -16.559 -8.005 751 2HG2 VAL 96 2HG2 VAL 96 4.400 -15.415 -8.868 752 3HG2 VAL 96 3HG2 VAL 96 4.043 -15.822 -7.183 753 H ASP 97 H ASP 97 7.742 -14.228 -4.210 754 HA ASP 97 HA ASP 97 7.379 -11.437 -3.683 755 1HB ASP 97 2HB ASP 97 8.146 -13.118 -1.991 756 2HB ASP 97 1HB ASP 97 9.676 -13.224 -2.854 757 H VAL 98 H VAL 98 8.246 -9.766 -4.675 758 HA VAL 98 HA VAL 98 10.660 -10.130 -6.333 759 HB VAL 98 HB VAL 98 8.394 -8.222 -6.975 760 1HG1 VAL 98 1HG1 VAL 98 11.044 -8.776 -8.152 761 2HG1 VAL 98 2HG1 VAL 98 10.099 -7.287 -8.127 762 3HG1 VAL 98 3HG1 VAL 98 9.715 -8.556 -9.289 763 1HG2 VAL 98 1HG2 VAL 98 8.542 -11.044 -7.438 764 2HG2 VAL 98 2HG2 VAL 98 8.583 -10.185 -8.978 765 3HG2 VAL 98 3HG2 VAL 98 7.253 -9.911 -7.851 766 H LYS 99 H LYS 99 12.279 -8.709 -5.936 767 HA LYS 99 HA LYS 99 12.065 -6.898 -3.730 768 1HB LYS 99 2HB LYS 99 14.390 -6.517 -3.956 769 2HB LYS 99 1HB LYS 99 14.145 -8.206 -4.353 770 1HG LYS 99 2HG LYS 99 14.345 -6.111 -6.486 771 2HG LYS 99 1HG LYS 99 15.774 -6.854 -5.777 772 1HD LYS 99 2HD LYS 99 14.868 -9.080 -6.444 773 2HD LYS 99 1HD LYS 99 13.553 -8.245 -7.272 774 1HE LYS 99 2HE LYS 99 16.489 -7.909 -7.869 775 2HE LYS 99 1HE LYS 99 15.362 -8.886 -8.807 776 1HZ LYS 99 1HZ LYS 99 14.052 -6.688 -8.988 777 2HZ LYS 99 2HZ LYS 99 15.413 -6.911 -9.966 778 3HZ LYS 99 3HZ LYS 99 15.521 -5.954 -8.577 779 H THR 100 H THR 100 12.958 -4.592 -3.959 780 HA THR 100 HA THR 100 11.480 -3.285 -6.131 781 HB THR 100 HB THR 100 11.688 -1.235 -4.751 782 HG1 THR 100 HG1 THR 100 12.453 -1.579 -2.569 783 1HG2 THR 100 1HG2 THR 100 10.625 -3.546 -3.147 784 2HG2 THR 100 2HG2 THR 100 9.741 -2.690 -4.411 785 3HG2 THR 100 3HG2 THR 100 10.224 -1.840 -2.942 786 H ASP 101 H ASP 101 12.387 -1.487 -7.271 787 HA ASP 101 HA ASP 101 15.318 -1.648 -7.543 788 1HB ASP 101 1HB ASP 101 13.661 -2.219 -9.499 789 2HB ASP 101 2HB ASP 101 13.533 -0.474 -9.655 790 H LYS 102 H LYS 102 15.855 0.686 -8.891 791 HA LYS 102 HA LYS 102 15.606 2.621 -6.777 792 1HB LYS 102 2HB LYS 102 17.092 4.019 -8.088 793 2HB LYS 102 1HB LYS 102 17.711 2.376 -8.032 794 1HG LYS 102 2HG LYS 102 17.086 1.960 -10.274 795 2HG LYS 102 1HG LYS 102 16.106 3.422 -10.347 796 1HD LYS 102 2HD LYS 102 19.083 3.500 -9.908 797 2HD LYS 102 1HD LYS 102 18.367 3.484 -11.519 798 1HE LYS 102 2HE LYS 102 18.731 5.754 -11.066 799 2HE LYS 102 1HE LYS 102 17.013 5.520 -10.748 800 1HZ LYS 102 1HZ LYS 102 18.816 5.182 -8.484 801 2HZ LYS 102 2HZ LYS 102 17.281 5.889 -8.552 802 3HZ LYS 102 3HZ LYS 102 18.635 6.760 -9.070 803 H TRP 103 H TRP 103 13.910 1.982 -9.713 804 HA TRP 103 HA TRP 103 12.896 4.664 -10.036 805 1HB TRP 103 2HB TRP 103 12.035 2.084 -11.364 806 2HB TRP 103 1HB TRP 103 11.488 3.691 -11.820 807 HD1 TRP 103 HD1 TRP 103 14.523 1.386 -12.056 808 HE1 TRP 103 HE1 TRP 103 16.164 2.341 -13.791 809 HE3 TRP 103 HE3 TRP 103 12.263 5.893 -12.922 810 HZ2 TRP 103 HZ2 TRP 103 16.467 4.690 -15.319 811 HZ3 TRP 103 HZ3 TRP 103 13.298 7.437 -14.535 812 HH2 TRP 103 HH2 TRP 103 15.356 6.847 -15.709 813 H ASP 104 H ASP 104 12.225 2.300 -7.845 814 HA ASP 104 HA ASP 104 9.349 2.692 -7.743 815 1HB ASP 104 2HB ASP 104 11.220 1.063 -6.012 816 2HB ASP 104 1HB ASP 104 9.475 1.131 -5.792 817 H PHE 105 H PHE 105 12.133 4.173 -6.474 818 HA PHE 105 HA PHE 105 10.566 5.433 -4.314 819 1HB PHE 105 2HB PHE 105 13.581 5.303 -4.484 820 2HB PHE 105 1HB PHE 105 12.613 5.847 -3.120 821 HD1 PHE 105 HD1 PHE 105 14.295 3.100 -4.619 822 HD2 PHE 105 HD2 PHE 105 11.124 4.110 -1.969 823 HE1 PHE 105 HE1 PHE 105 14.383 0.838 -3.654 824 HE2 PHE 105 HE2 PHE 105 11.206 1.853 -1.002 825 HZ PHE 105 HZ PHE 105 12.843 0.219 -1.836 826 H TYR 106 H TYR 106 12.759 5.965 -6.996 827 HA TYR 106 HA TYR 106 12.737 8.845 -6.630 828 1HB TYR 106 2HB TYR 106 14.805 7.620 -7.284 829 2HB TYR 106 1HB TYR 106 14.032 7.168 -8.795 830 HD1 TYR 106 HD1 TYR 106 15.102 8.246 -10.518 831 HD2 TYR 106 HD2 TYR 106 14.259 10.456 -6.971 832 HE1 TYR 106 HE1 TYR 106 15.967 10.289 -11.580 833 HE2 TYR 106 HE2 TYR 106 15.111 12.490 -8.021 834 HH TYR 106 HH TYR 106 17.033 12.616 -10.506 835 H CYS 107 H CYS 107 11.214 10.082 -7.423 836 HA CYS 107 HA CYS 107 9.963 9.395 -9.991 837 1HB CYS 107 2HB CYS 107 7.811 10.376 -9.046 838 2HB CYS 107 1HB CYS 107 8.272 8.796 -8.447 839 H GLN 108 HN GLN 108 9.332 11.126 -11.286 840 HA GLN 108 HA GLN 108 10.115 13.811 -10.380 841 1HB GLN 108 2HB GLN 108 10.901 12.499 -12.984 842 2HB GLN 108 1HB GLN 108 11.006 14.231 -12.709 843 1HG GLN 108 2HG GLN 108 12.540 13.775 -10.810 844 2HG GLN 108 1HG GLN 108 12.511 12.069 -11.255 845 1HE2 GLN 108 1HE2 GLN 108 14.066 11.414 -12.558 846 2HE2 GLN 108 2HE2 GLN 108 14.996 12.411 -13.620 Start of MODEL 10 1 1H MET 1 1HT MET 1 8.001 13.569 -3.331 2 2H MET 1 2HT MET 1 6.817 14.518 -4.077 3 3H MET 1 3HT MET 1 7.882 15.217 -2.964 4 HA MET 1 HA MET 1 8.830 13.947 -5.463 5 1HB MET 1 2HB MET 1 7.142 15.739 -5.919 6 2HB MET 1 1HB MET 1 8.141 16.871 -5.022 7 1HG MET 1 2HG MET 1 9.943 16.565 -6.648 8 2HG MET 1 1HG MET 1 8.932 15.437 -7.548 9 1HE MET 1 1HE MET 1 10.229 17.231 -9.001 10 2HE MET 1 2HE MET 1 9.607 18.838 -9.372 11 3HE MET 1 3HE MET 1 8.864 17.415 -10.102 12 H GLY 2 H GLY 2 10.685 13.269 -4.430 13 1HA GLY 2 2HA GLY 2 12.995 14.531 -4.475 14 2HA GLY 2 1HA GLY 2 12.341 15.207 -2.991 15 HA PRO 3 HA PRO 3 14.425 11.038 -2.174 16 1HB PRO 3 2HB PRO 3 16.636 12.281 -0.843 17 2HB PRO 3 1HB PRO 3 16.645 11.327 -2.319 18 1HG PRO 3 1HG PRO 3 17.185 14.027 -2.166 19 2HG PRO 3 2HG PRO 3 16.764 13.138 -3.636 20 1HD PRO 3 1HD PRO 3 15.096 14.910 -1.948 21 2HD PRO 3 2HD PRO 3 15.017 14.579 -3.686 22 H MET 4 H MET 4 13.885 10.018 -0.357 23 HA MET 4 HA MET 4 13.889 11.381 2.212 24 1HB MET 4 2HB MET 4 11.467 10.580 2.581 25 2HB MET 4 1HB MET 4 11.715 12.006 1.586 26 1HG MET 4 1HG MET 4 10.113 10.802 0.425 27 2HG MET 4 2HG MET 4 11.612 10.401 -0.409 28 1HE MET 4 1HE MET 4 8.603 8.860 1.770 29 2HE MET 4 2HE MET 4 9.909 9.366 2.849 30 3HE MET 4 3HE MET 4 9.551 7.651 2.640 31 HA PRO 5 HA PRO 5 15.044 7.506 4.089 32 1HB PRO 5 1HB PRO 5 12.991 7.037 5.929 33 2HB PRO 5 2HB PRO 5 14.461 7.965 6.220 34 1HG PRO 5 2HG PRO 5 11.735 8.919 5.484 35 2HG PRO 5 1HG PRO 5 12.908 9.622 6.615 36 1HD PRO 5 1HD PRO 5 12.564 10.682 4.218 37 2HD PRO 5 2HD PRO 5 14.195 10.535 4.895 38 H LYS 6 H LYS 6 14.588 5.253 4.269 39 HA LYS 6 HA LYS 6 12.928 4.260 2.193 40 1HB LYS 6 1HB LYS 6 14.253 2.533 4.256 41 2HB LYS 6 2HB LYS 6 13.922 2.183 2.570 42 1HG LYS 6 2HG LYS 6 15.929 4.248 3.413 43 2HG LYS 6 1HG LYS 6 16.327 2.555 3.195 44 1HD LYS 6 1HD LYS 6 16.844 3.206 1.109 45 2HD LYS 6 2HD LYS 6 15.106 3.034 0.852 46 1HE LYS 6 1HE LYS 6 14.781 5.389 1.276 47 2HE LYS 6 2HE LYS 6 16.495 5.587 1.634 48 1HZ LYS 6 1HZ LYS 6 15.457 6.076 -0.748 49 2HZ LYS 6 2HZ LYS 6 15.835 4.442 -0.959 50 3HZ LYS 6 3HZ LYS 6 17.049 5.542 -0.541 51 H LEU 7 H LEU 7 11.274 2.694 2.392 52 HA LEU 7 HA LEU 7 9.793 2.779 4.943 53 1HB LEU 7 2HB LEU 7 8.699 2.449 2.140 54 2HB LEU 7 1HB LEU 7 7.748 2.416 3.610 55 HG LEU 7 HG LEU 7 9.297 4.831 2.674 56 1HD1 LEU 7 1HD2 LEU 7 7.719 4.700 1.023 57 2HD1 LEU 7 2HD2 LEU 7 6.813 5.582 2.253 58 3HD1 LEU 7 3HD2 LEU 7 6.559 3.850 2.045 59 1HD2 LEU 7 1HD1 LEU 7 7.162 5.593 4.277 60 2HD2 LEU 7 2HD1 LEU 7 8.867 5.570 4.731 61 3HD2 LEU 7 3HD1 LEU 7 7.839 4.182 5.089 62 H ALA 8 H ALA 8 10.861 0.894 2.209 63 HA ALA 8 HA ALA 8 10.862 -1.554 3.726 64 1HB ALA 8 1HB ALA 8 8.826 -1.062 1.590 65 2HB ALA 8 2HB ALA 8 8.647 -1.874 3.146 66 3HB ALA 8 3HB ALA 8 9.478 -2.686 1.818 67 H ASP 9 H ASP 9 11.258 -3.426 1.837 68 HA ASP 9 HA ASP 9 13.300 -2.351 0.021 69 1HB ASP 9 1HB ASP 9 14.738 -4.331 0.548 70 2HB ASP 9 2HB ASP 9 14.545 -3.207 1.888 71 H ARG 10 H ARG 10 11.248 -5.142 0.821 72 HA ARG 10 HA ARG 10 11.033 -5.700 -2.062 73 1HB ARG 10 2HB ARG 10 11.336 -7.724 0.155 74 2HB ARG 10 1HB ARG 10 10.869 -8.130 -1.489 75 1HG ARG 10 2HG ARG 10 13.008 -7.183 -2.288 76 2HG ARG 10 1HG ARG 10 13.476 -6.909 -0.608 77 1HD ARG 10 1HD ARG 10 13.291 -9.296 -0.162 78 2HD ARG 10 2HD ARG 10 12.799 -9.581 -1.828 79 HE ARG 10 HE ARG 10 14.990 -9.504 -2.445 80 1HH1 ARG 10 1HH1 ARG 10 14.752 -8.019 0.727 81 2HH1 ARG 10 2HH1 ARG 10 16.463 -7.808 0.881 82 1HH2 ARG 10 1HH2 ARG 10 17.227 -9.220 -2.218 83 2HH2 ARG 10 2HH2 ARG 10 17.862 -8.488 -0.784 84 H LYS 11 H LYS 11 9.100 -6.813 -2.704 85 HA LYS 11 HA LYS 11 6.825 -6.528 -0.868 86 1HB LYS 11 2HB LYS 11 5.497 -5.675 -2.808 87 2HB LYS 11 1HB LYS 11 6.781 -4.588 -2.293 88 1HG LYS 11 1HG LYS 11 8.189 -5.688 -4.130 89 2HG LYS 11 2HG LYS 11 6.655 -6.311 -4.739 90 1HD LYS 11 2HD LYS 11 5.797 -4.085 -5.004 91 2HD LYS 11 1HD LYS 11 7.231 -3.404 -4.231 92 1HE LYS 11 2HE LYS 11 8.617 -4.274 -6.054 93 2HE LYS 11 1HE LYS 11 7.176 -4.930 -6.832 94 1HZ LYS 11 1HZ LYS 11 7.107 -2.095 -6.188 95 2HZ LYS 11 2HZ LYS 11 6.536 -2.909 -7.556 96 3HZ LYS 11 3HZ LYS 11 8.182 -2.549 -7.413 97 H LEU 12 H LEU 12 4.807 -7.580 -1.968 98 HA LEU 12 HA LEU 12 5.622 -10.144 -3.171 99 1HB LEU 12 2HB LEU 12 3.373 -9.620 -1.219 100 2HB LEU 12 1HB LEU 12 3.662 -11.151 -2.020 101 HG LEU 12 HG LEU 12 5.635 -9.846 -0.141 102 1HD1 LEU 12 1HD1 LEU 12 3.266 -10.705 0.697 103 2HD1 LEU 12 2HD1 LEU 12 4.742 -10.955 1.629 104 3HD1 LEU 12 3HD1 LEU 12 4.097 -12.259 0.632 105 1HD2 LEU 12 1HD2 LEU 12 6.922 -11.323 -1.321 106 2HD2 LEU 12 2HD2 LEU 12 5.565 -12.389 -1.685 107 3HD2 LEU 12 3HD2 LEU 12 6.291 -12.406 -0.079 108 H CYS 13 H CYS 13 4.873 -10.437 -5.147 109 HA CYS 13 HA CYS 13 2.356 -9.131 -5.957 110 1HB CYS 13 2HB CYS 13 4.782 -9.684 -7.681 111 2HB CYS 13 1HB CYS 13 3.290 -8.919 -8.214 112 H ALA 14 H ALA 14 1.672 -10.239 -8.204 113 HA ALA 14 HA ALA 14 1.110 -12.995 -7.554 114 1HB ALA 14 1HB ALA 14 0.237 -11.140 -9.743 115 2HB ALA 14 2HB ALA 14 -0.729 -11.892 -8.474 116 3HB ALA 14 3HB ALA 14 -0.122 -12.865 -9.813 117 H ASP 15 H ASP 15 3.245 -11.225 -9.635 118 HA ASP 15 HA ASP 15 4.648 -13.660 -10.336 119 1HB ASP 15 1HB ASP 15 4.775 -12.927 -12.775 120 2HB ASP 15 2HB ASP 15 3.247 -13.616 -12.242 121 H GLN 16 H GLN 16 6.674 -13.020 -11.714 122 HA GLN 16 HA GLN 16 8.201 -11.267 -10.133 123 1HB GLN 16 2HB GLN 16 10.026 -11.703 -11.678 124 2HB GLN 16 1HB GLN 16 9.183 -13.186 -11.256 125 1HG GLN 16 2HG GLN 16 8.004 -13.148 -13.357 126 2HG GLN 16 1HG GLN 16 8.763 -11.615 -13.775 127 1HE2 GLN 16 1HE2 GLN 16 10.527 -11.705 -14.962 128 2HE2 GLN 16 2HE2 GLN 16 11.544 -13.086 -15.176 129 H GLU 17 H GLU 17 6.122 -10.543 -12.706 130 HA GLU 17 HA GLU 17 7.573 -8.168 -13.558 131 1HB GLU 17 2HB GLU 17 4.825 -9.122 -14.382 132 2HB GLU 17 1HB GLU 17 5.753 -7.844 -15.148 133 1HG GLU 17 2HG GLU 17 7.459 -9.507 -15.773 134 2HG GLU 17 1HG GLU 17 6.445 -10.765 -15.076 135 H CYS 18 H CYS 18 5.078 -9.030 -11.323 136 HA CYS 18 HA CYS 18 3.705 -7.862 -9.940 137 1HB CYS 18 1HB CYS 18 5.858 -5.778 -10.353 138 2HB CYS 18 2HB CYS 18 4.499 -5.527 -9.265 139 H SER 19 H SER 19 3.214 -7.916 -12.746 140 HA SER 19 HA SER 19 1.937 -5.361 -13.336 141 1HB SER 19 2HB SER 19 3.347 -6.126 -15.086 142 2HB SER 19 1HB SER 19 2.647 -7.736 -15.030 143 HG SER 19 HG SER 19 1.833 -5.558 -16.404 144 H HIS 20 H HIS 20 1.158 -8.381 -12.082 145 HA HIS 20 HA HIS 20 -1.604 -8.324 -13.051 146 1HB HIS 20 2HB HIS 20 0.158 -10.394 -11.861 147 2HB HIS 20 1HB HIS 20 -1.556 -10.514 -11.502 148 HD1 HIS 20 HD1 HIS 20 -1.011 -12.829 -12.857 149 HD2 HIS 20 HD2 HIS 20 -1.229 -9.334 -15.086 150 HE1 HIS 20 HE1 HIS 20 -1.464 -13.570 -15.204 151 HE2 HIS 20 HE2 HIS 20 -1.458 -11.443 -16.569 152 HA PRO 21 HA PRO 21 -2.987 -6.873 -9.050 153 1HB PRO 21 1HB PRO 21 -5.672 -7.162 -9.447 154 2HB PRO 21 2HB PRO 21 -4.711 -5.881 -10.188 155 1HG PRO 21 1HG PRO 21 -5.985 -8.165 -11.444 156 2HG PRO 21 2HG PRO 21 -5.232 -6.755 -12.203 157 1HD PRO 21 1HD PRO 21 -4.143 -9.437 -11.792 158 2HD PRO 21 2HD PRO 21 -3.540 -8.120 -12.824 159 H ILE 22 H ILE 22 -2.785 -7.998 -7.206 160 HA ILE 22 HA ILE 22 -3.300 -10.757 -6.978 161 HB ILE 22 HB ILE 22 -2.997 -8.778 -4.708 162 1HG1 ILE 22 2HG1 ILE 22 -0.852 -10.506 -5.964 163 2HG1 ILE 22 1HG1 ILE 22 -1.123 -8.826 -6.427 164 1HG2 ILE 22 1HG2 ILE 22 -2.955 -10.513 -3.264 165 2HG2 ILE 22 2HG2 ILE 22 -2.064 -11.549 -4.379 166 3HG2 ILE 22 3HG2 ILE 22 -3.814 -11.380 -4.541 167 1HD1 ILE 22 1HD1 ILE 22 0.634 -8.746 -4.902 168 2HD1 ILE 22 2HD1 ILE 22 -0.129 -9.912 -3.820 169 3HD1 ILE 22 3HD1 ILE 22 -0.781 -8.279 -3.958 170 H SER 23 H SER 23 -4.969 -8.116 -5.202 171 HA SER 23 HA SER 23 -7.457 -9.643 -5.503 172 1HB SER 23 2HB SER 23 -7.993 -9.207 -3.105 173 2HB SER 23 1HB SER 23 -6.609 -10.277 -3.334 174 HG SER 23 HG SER 23 -5.252 -8.489 -2.944 175 H MET 24 H MET 24 -9.299 -8.501 -5.652 176 HA MET 24 HA MET 24 -9.058 -5.626 -6.063 177 1HB MET 24 2HB MET 24 -10.209 -7.088 -7.722 178 2HB MET 24 1HB MET 24 -11.430 -7.446 -6.512 179 1HG MET 24 2HG MET 24 -10.906 -4.598 -7.121 180 2HG MET 24 1HG MET 24 -11.723 -5.559 -8.346 181 1HE MET 24 1HE MET 24 -13.656 -6.925 -8.016 182 2HE MET 24 2HE MET 24 -15.059 -6.396 -7.088 183 3HE MET 24 3HE MET 24 -13.893 -7.508 -6.369 184 H ALA 25 H ALA 25 -9.561 -4.234 -4.504 185 HA ALA 25 HA ALA 25 -11.342 -5.141 -2.335 186 1HB ALA 25 1HB ALA 25 -8.643 -4.247 -2.222 187 2HB ALA 25 2HB ALA 25 -9.685 -4.808 -0.914 188 3HB ALA 25 3HB ALA 25 -9.667 -3.101 -1.356 189 H VAL 26 H VAL 26 -12.566 -3.591 -1.235 190 HA VAL 26 HA VAL 26 -13.281 -1.248 -2.895 191 HB VAL 26 HB VAL 26 -14.911 -2.538 -0.687 192 1HG1 VAL 26 1HG2 VAL 26 -15.441 -0.172 -1.064 193 2HG1 VAL 26 2HG2 VAL 26 -16.767 -1.221 -1.563 194 3HG1 VAL 26 3HG2 VAL 26 -15.704 -0.508 -2.775 195 1HG2 VAL 26 1HG1 VAL 26 -14.788 -3.032 -3.624 196 2HG2 VAL 26 2HG1 VAL 26 -16.340 -3.161 -2.798 197 3HG2 VAL 26 3HG1 VAL 26 -14.987 -4.176 -2.297 198 H ALA 27 H ALA 27 -13.071 0.813 -2.109 199 HA ALA 27 HA ALA 27 -11.588 1.197 0.339 200 1HB ALA 27 1HB ALA 27 -11.003 3.195 -0.504 201 2HB ALA 27 2HB ALA 27 -12.648 3.580 -1.012 202 3HB ALA 27 3HB ALA 27 -11.639 2.534 -2.013 203 H LEU 28 H LEU 28 -12.283 1.903 2.266 204 HA LEU 28 HA LEU 28 -15.162 2.163 2.661 205 1HB LEU 28 2HB LEU 28 -12.873 1.827 4.591 206 2HB LEU 28 1HB LEU 28 -14.508 2.148 5.118 207 HG LEU 28 HG LEU 28 -14.110 -0.179 5.381 208 1HD1 LEU 28 1HD1 LEU 28 -15.942 -1.085 4.320 209 2HD1 LEU 28 2HD1 LEU 28 -15.661 -0.185 2.830 210 3HD1 LEU 28 3HD1 LEU 28 -16.291 0.642 4.255 211 1HD2 LEU 28 1HD2 LEU 28 -13.670 -0.975 2.635 212 2HD2 LEU 28 2HD2 LEU 28 -12.805 -1.430 4.103 213 3HD2 LEU 28 3HD2 LEU 28 -12.378 0.055 3.253 214 H GLN 29 H GLN 29 -12.361 4.214 2.590 215 HA GLN 29 HA GLN 29 -14.050 6.508 3.138 216 1HB GLN 29 2HB GLN 29 -12.488 7.430 4.857 217 2HB GLN 29 1HB GLN 29 -13.398 6.022 5.382 218 1HG GLN 29 2HG GLN 29 -11.466 4.606 5.049 219 2HG GLN 29 1HG GLN 29 -10.546 5.966 4.416 220 1HE2 GLN 29 1HE2 GLN 29 -12.254 7.403 6.769 221 2HE2 GLN 29 2HE2 GLN 29 -11.195 7.173 8.107 222 H ASP 30 H ASP 30 -12.475 8.571 3.234 223 HA ASP 30 HA ASP 30 -11.095 8.536 0.673 224 1HB ASP 30 1HB ASP 30 -11.919 10.778 2.518 225 2HB ASP 30 2HB ASP 30 -10.966 11.038 1.061 226 H TYR 31 H TYR 31 -9.029 9.469 0.372 227 HA TYR 31 HA TYR 31 -7.279 9.843 2.648 228 1HB TYR 31 2HB TYR 31 -7.319 7.336 1.996 229 2HB TYR 31 1HB TYR 31 -6.474 7.840 0.540 230 HD1 TYR 31 HD1 TYR 31 -4.160 8.017 0.542 231 HD2 TYR 31 HD2 TYR 31 -6.224 8.025 4.264 232 HE1 TYR 31 HE1 TYR 31 -2.012 7.933 1.728 233 HE2 TYR 31 HE2 TYR 31 -4.079 7.940 5.461 234 HH TYR 31 HH TYR 31 -1.588 7.011 4.710 235 H MET 32 H MET 32 -5.580 11.207 2.170 236 HA MET 32 HA MET 32 -5.449 12.193 -0.605 237 1HB MET 32 2HB MET 32 -4.775 13.625 1.972 238 2HB MET 32 1HB MET 32 -4.552 14.298 0.364 239 1HG MET 32 1HG MET 32 -7.191 13.475 1.558 240 2HG MET 32 2HG MET 32 -6.578 15.120 1.459 241 1HE MET 32 1HE MET 32 -9.451 15.222 -1.155 242 2HE MET 32 2HE MET 32 -8.833 15.825 0.382 243 3HE MET 32 3HE MET 32 -9.485 14.191 0.275 244 H ALA 33 H ALA 33 -3.534 12.236 -1.668 245 HA ALA 33 HA ALA 33 -1.359 10.701 -0.540 246 1HB ALA 33 1HB ALA 33 -0.592 10.445 -2.682 247 2HB ALA 33 2HB ALA 33 -1.180 12.024 -3.200 248 3HB ALA 33 3HB ALA 33 -2.313 10.692 -2.971 249 HA PRO 34 HA PRO 34 0.746 14.571 0.603 250 1HB PRO 34 2HB PRO 34 2.593 12.975 2.146 251 2HB PRO 34 1HB PRO 34 1.348 14.081 2.727 252 1HG PRO 34 2HG PRO 34 1.245 11.381 3.073 253 2HG PRO 34 1HG PRO 34 -0.198 12.412 2.976 254 1HD PRO 34 2HD PRO 34 1.072 10.716 0.849 255 2HD PRO 34 1HD PRO 34 -0.646 10.912 1.258 256 H ASP 35 H ASP 35 2.821 11.668 0.285 257 HA ASP 35 HA ASP 35 4.802 13.231 -1.161 258 1HB ASP 35 2HB ASP 35 6.232 11.221 -0.906 259 2HB ASP 35 1HB ASP 35 5.627 11.840 0.629 260 H CYS 36 H CYS 36 5.972 12.049 -2.979 261 HA CYS 36 HA CYS 36 4.256 11.815 -5.173 262 1HB CYS 36 1HB CYS 36 6.211 11.324 -6.462 263 2HB CYS 36 2HB CYS 36 6.670 12.484 -5.220 264 H ARG 37 H ARG 37 5.404 9.288 -2.997 265 HA ARG 37 HA ARG 37 4.727 7.204 -4.922 266 1HB ARG 37 2HB ARG 37 5.502 6.757 -2.056 267 2HB ARG 37 1HB ARG 37 5.659 5.652 -3.410 268 1HG ARG 37 1HG ARG 37 7.472 6.879 -4.319 269 2HG ARG 37 2HG ARG 37 7.198 8.211 -3.193 270 1HD ARG 37 2HD ARG 37 8.191 5.454 -2.550 271 2HD ARG 37 1HD ARG 37 9.045 6.986 -2.363 272 HE ARG 37 HE ARG 37 7.256 5.812 -0.520 273 1HH1 ARG 37 1HH1 ARG 37 8.310 8.946 -1.678 274 2HH1 ARG 37 2HH1 ARG 37 7.712 9.784 -0.287 275 1HH2 ARG 37 1HH2 ARG 37 6.457 6.929 1.278 276 2HH2 ARG 37 2HH2 ARG 37 6.668 8.643 1.385 277 H PHE 38 H PHE 38 2.763 9.008 -2.971 278 HA PHE 38 HA PHE 38 1.140 6.674 -2.202 279 1HB PHE 38 2HB PHE 38 1.472 9.382 -1.043 280 2HB PHE 38 1HB PHE 38 -0.125 8.655 -0.920 281 HD1 PHE 38 HD1 PHE 38 -0.396 8.057 1.278 282 HD2 PHE 38 HD2 PHE 38 3.276 7.081 -0.640 283 HE1 PHE 38 HE1 PHE 38 0.309 6.797 3.267 284 HE2 PHE 38 HE2 PHE 38 3.982 5.818 1.346 285 HZ PHE 38 HZ PHE 38 2.498 5.675 3.304 286 H LEU 39 H LEU 39 -1.235 6.906 -2.280 287 HA LEU 39 HA LEU 39 -2.075 8.235 -4.783 288 1HB LEU 39 2HB LEU 39 -2.935 5.660 -3.493 289 2HB LEU 39 1HB LEU 39 -3.923 6.453 -4.701 290 HG LEU 39 HG LEU 39 -1.070 5.697 -5.277 291 1HD1 LEU 39 1HD1 LEU 39 -3.545 3.999 -5.370 292 2HD1 LEU 39 2HD1 LEU 39 -1.976 3.625 -4.654 293 3HD1 LEU 39 3HD1 LEU 39 -2.155 3.682 -6.408 294 1HD2 LEU 39 1HD2 LEU 39 -2.258 7.279 -6.779 295 2HD2 LEU 39 2HD2 LEU 39 -3.478 6.034 -7.059 296 3HD2 LEU 39 3HD2 LEU 39 -1.811 5.766 -7.570 297 H THR 40 H THR 40 -4.148 9.132 -4.927 298 HA THR 40 HA THR 40 -5.354 9.905 -2.353 299 HB THR 40 HB THR 40 -5.682 11.213 -5.074 300 HG1 THR 40 HG1 THR 40 -4.387 12.481 -2.964 301 1HG2 THR 40 1HG2 THR 40 -6.899 12.908 -4.109 302 2HG2 THR 40 2HG2 THR 40 -6.318 12.549 -2.480 303 3HG2 THR 40 3HG2 THR 40 -7.510 11.496 -3.247 304 H ILE 41 H ILE 41 -6.951 8.572 -1.843 305 HA ILE 41 HA ILE 41 -8.657 7.472 -3.983 306 HB ILE 41 HB ILE 41 -8.155 6.374 -1.199 307 1HG1 ILE 41 1HG1 ILE 41 -7.135 5.317 -3.850 308 2HG1 ILE 41 2HG1 ILE 41 -6.189 6.369 -2.804 309 1HG2 ILE 41 1HG2 ILE 41 -9.606 5.171 -3.567 310 2HG2 ILE 41 2HG2 ILE 41 -10.331 5.692 -2.046 311 3HG2 ILE 41 3HG2 ILE 41 -9.224 4.320 -2.069 312 1HD1 ILE 41 1HD1 ILE 41 -6.397 4.644 -1.014 313 2HD1 ILE 41 2HD1 ILE 41 -5.481 4.139 -2.436 314 3HD1 ILE 41 3HD1 ILE 41 -7.140 3.583 -2.212 315 H HIS 42 H HIS 42 -10.914 7.290 -3.668 316 HA HIS 42 HA HIS 42 -12.047 9.121 -1.653 317 1HB HIS 42 2HB HIS 42 -12.979 8.522 -4.467 318 2HB HIS 42 1HB HIS 42 -13.986 9.340 -3.284 319 HD1 HIS 42 HD1 HIS 42 -13.612 10.954 -5.649 320 HD2 HIS 42 HD2 HIS 42 -10.720 10.948 -2.663 321 HE1 HIS 42 HE1 HIS 42 -12.331 13.096 -5.947 322 HE2 HIS 42 HE2 HIS 42 -10.639 13.108 -4.081 323 H ARG 43 H ARG 43 -14.068 8.513 -0.709 324 HA ARG 43 HA ARG 43 -14.257 5.801 0.016 325 1HB ARG 43 2HB ARG 43 -15.055 7.737 1.376 326 2HB ARG 43 1HB ARG 43 -16.399 7.921 0.261 327 1HG ARG 43 1HG ARG 43 -17.178 5.671 0.867 328 2HG ARG 43 2HG ARG 43 -15.842 5.540 2.017 329 1HD ARG 43 2HD ARG 43 -16.707 7.540 3.187 330 2HD ARG 43 1HD ARG 43 -18.081 7.561 2.081 331 HE ARG 43 HE ARG 43 -17.910 5.032 3.270 332 1HH1 ARG 43 1HH1 ARG 43 -18.698 8.332 4.157 333 2HH1 ARG 43 2HH1 ARG 43 -19.756 7.856 5.442 334 1HH2 ARG 43 1HH2 ARG 43 -19.302 4.427 4.960 335 2HH2 ARG 43 2HH2 ARG 43 -20.097 5.647 5.897 336 H GLY 44 H GLY 44 -15.152 4.102 -0.963 337 1HA GLY 44 2HA GLY 44 -16.967 2.997 -2.022 338 2HA GLY 44 1HA GLY 44 -17.453 4.523 -2.734 339 H GLN 45 H GLN 45 -14.312 4.665 -3.364 340 HA GLN 45 HA GLN 45 -14.653 3.791 -6.070 341 1HB GLN 45 1HB GLN 45 -12.265 4.874 -4.586 342 2HB GLN 45 2HB GLN 45 -12.197 4.390 -6.276 343 1HG GLN 45 2HG GLN 45 -14.126 6.007 -6.648 344 2HG GLN 45 1HG GLN 45 -13.761 6.628 -5.039 345 1HE2 GLN 45 1HE2 GLN 45 -13.291 7.211 -8.180 346 2HE2 GLN 45 2HE2 GLN 45 -11.770 8.029 -8.130 347 H VAL 46 H VAL 46 -13.382 2.269 -7.205 348 HA VAL 46 HA VAL 46 -12.838 -0.141 -5.646 349 HB VAL 46 HB VAL 46 -12.612 0.038 -8.642 350 1HG1 VAL 46 1HG1 VAL 46 -13.615 -2.230 -6.949 351 2HG1 VAL 46 2HG1 VAL 46 -11.907 -1.993 -7.320 352 3HG1 VAL 46 3HG1 VAL 46 -13.063 -2.273 -8.623 353 1HG2 VAL 46 1HG2 VAL 46 -14.752 0.552 -8.897 354 2HG2 VAL 46 2HG2 VAL 46 -15.005 0.557 -7.149 355 3HG2 VAL 46 3HG2 VAL 46 -15.177 -0.943 -8.060 356 H VAL 47 H VAL 47 -10.810 -0.468 -4.937 357 HA VAL 47 HA VAL 47 -8.577 0.591 -6.549 358 HB VAL 47 HB VAL 47 -8.451 -0.063 -3.602 359 1HG1 VAL 47 1HG1 VAL 47 -6.372 0.999 -3.579 360 2HG1 VAL 47 2HG1 VAL 47 -6.657 1.798 -5.126 361 3HG1 VAL 47 3HG1 VAL 47 -6.350 0.062 -5.073 362 1HG2 VAL 47 1HG2 VAL 47 -8.327 2.669 -3.761 363 2HG2 VAL 47 2HG2 VAL 47 -9.742 1.736 -3.275 364 3HG2 VAL 47 3HG2 VAL 47 -9.574 2.275 -4.945 365 H TYR 48 H TYR 48 -7.288 -0.839 -7.489 366 HA TYR 48 HA TYR 48 -7.485 -3.652 -6.733 367 1HB TYR 48 2HB TYR 48 -6.311 -2.299 -9.167 368 2HB TYR 48 1HB TYR 48 -6.135 -4.015 -8.853 369 HD1 TYR 48 HD1 TYR 48 -7.569 -5.404 -9.966 370 HD2 TYR 48 HD2 TYR 48 -8.924 -1.489 -8.995 371 HE1 TYR 48 HE1 TYR 48 -9.682 -5.850 -11.135 372 HE2 TYR 48 HE2 TYR 48 -11.042 -1.931 -10.156 373 HH TYR 48 HH TYR 48 -11.569 -3.992 -12.305 374 H VAL 49 H VAL 49 -5.956 -4.671 -5.630 375 HA VAL 49 HA VAL 49 -3.510 -3.263 -4.919 376 HB VAL 49 HB VAL 49 -4.433 -5.999 -4.004 377 1HG1 VAL 49 1HG1 VAL 49 -2.909 -5.644 -2.128 378 2HG1 VAL 49 2HG1 VAL 49 -2.422 -4.093 -2.811 379 3HG1 VAL 49 3HG1 VAL 49 -2.049 -5.588 -3.667 380 1HG2 VAL 49 1HG2 VAL 49 -6.112 -4.812 -3.065 381 2HG2 VAL 49 2HG2 VAL 49 -5.231 -3.287 -3.154 382 3HG2 VAL 49 3HG2 VAL 49 -4.875 -4.437 -1.865 383 H PHE 50 H PHE 50 -1.554 -3.682 -5.784 384 HA PHE 50 HA PHE 50 -1.333 -5.974 -7.616 385 1HB PHE 50 1HB PHE 50 -0.120 -3.228 -7.695 386 2HB PHE 50 2HB PHE 50 0.642 -4.561 -8.552 387 HD1 PHE 50 HD1 PHE 50 -2.728 -2.954 -8.205 388 HD2 PHE 50 HD2 PHE 50 0.081 -4.911 -10.736 389 HE1 PHE 50 HE1 PHE 50 -4.218 -2.601 -10.130 390 HE2 PHE 50 HE2 PHE 50 -1.407 -4.559 -12.663 391 HZ PHE 50 HZ PHE 50 -3.558 -3.404 -12.361 392 H SER 51 H SER 51 0.134 -4.371 -4.873 393 HA SER 51 HA SER 51 1.864 -6.688 -4.497 394 1HB SER 51 2HB SER 51 3.862 -5.269 -4.092 395 2HB SER 51 1HB SER 51 3.300 -5.184 -5.759 396 HG SER 51 HG SER 51 2.201 -3.223 -5.143 397 H LYS 52 H LYS 52 2.961 -6.693 -2.387 398 HA LYS 52 HA LYS 52 1.644 -5.047 -0.328 399 1HB LYS 52 2HB LYS 52 2.230 -7.955 0.184 400 2HB LYS 52 1HB LYS 52 1.223 -6.873 1.108 401 1HG LYS 52 1HG LYS 52 -0.493 -6.923 -0.541 402 2HG LYS 52 2HG LYS 52 0.535 -7.824 -1.652 403 1HD LYS 52 1HD LYS 52 0.570 -9.713 -0.099 404 2HD LYS 52 2HD LYS 52 -0.459 -8.811 1.016 405 1HE LYS 52 2HE LYS 52 -2.226 -8.734 -0.674 406 2HE LYS 52 1HE LYS 52 -1.196 -9.637 -1.790 407 1HZ LYS 52 1HZ LYS 52 -1.662 -10.833 0.826 408 2HZ LYS 52 2HZ LYS 52 -1.544 -11.565 -0.694 409 3HZ LYS 52 3HZ LYS 52 -2.980 -10.800 -0.235 410 H LEU 53 H LEU 53 3.296 -3.868 0.477 411 HA LEU 53 HA LEU 53 6.014 -4.667 0.306 412 1HB LEU 53 1HB LEU 53 4.832 -2.530 2.085 413 2HB LEU 53 2HB LEU 53 6.512 -2.672 1.596 414 HG LEU 53 HG LEU 53 4.226 -2.128 -0.307 415 1HD1 LEU 53 1HD2 LEU 53 4.982 0.165 -0.349 416 2HD1 LEU 53 2HD2 LEU 53 6.255 -0.204 0.814 417 3HD1 LEU 53 3HD2 LEU 53 4.562 -0.296 1.301 418 1HD2 LEU 53 1HD1 LEU 53 7.027 -2.781 -0.687 419 2HD2 LEU 53 2HD1 LEU 53 6.593 -1.239 -1.424 420 3HD2 LEU 53 3HD1 LEU 53 5.713 -2.704 -1.862 421 H LYS 54 H LYS 54 7.507 -5.135 1.988 422 HA LYS 54 HA LYS 54 6.292 -6.320 4.411 423 1HB LYS 54 1HB LYS 54 8.644 -7.353 2.811 424 2HB LYS 54 2HB LYS 54 8.119 -8.009 4.352 425 1HG LYS 54 2HG LYS 54 6.003 -8.672 3.372 426 2HG LYS 54 1HG LYS 54 6.473 -7.948 1.832 427 1HD LYS 54 1HD LYS 54 6.911 -10.234 1.572 428 2HD LYS 54 2HD LYS 54 8.484 -9.516 1.900 429 1HE LYS 54 2HE LYS 54 8.305 -10.197 4.246 430 2HE LYS 54 1HE LYS 54 6.731 -10.920 3.917 431 1HZ LYS 54 1HZ LYS 54 7.758 -12.771 3.329 432 2HZ LYS 54 2HZ LYS 54 9.269 -12.065 3.601 433 3HZ LYS 54 3HZ LYS 54 8.551 -11.958 2.074 434 H GLY 55 H GLY 55 8.228 -6.799 6.050 435 1HA GLY 55 2HA GLY 55 10.178 -6.003 7.124 436 2HA GLY 55 1HA GLY 55 10.146 -4.587 6.083 437 H ARG 56 H ARG 56 10.069 -2.898 7.413 438 HA ARG 56 HA ARG 56 8.663 -2.922 9.906 439 1HB ARG 56 1HB ARG 56 10.127 -0.799 8.356 440 2HB ARG 56 2HB ARG 56 9.194 -0.387 9.785 441 1HG ARG 56 1HG ARG 56 11.295 -0.629 10.664 442 2HG ARG 56 2HG ARG 56 10.624 -2.235 10.930 443 1HD ARG 56 2HD ARG 56 12.237 -1.589 8.480 444 2HD ARG 56 1HD ARG 56 13.005 -2.059 9.993 445 HE ARG 56 HE ARG 56 11.713 -3.771 8.125 446 1HH1 ARG 56 1HH1 ARG 56 12.370 -3.418 11.557 447 2HH1 ARG 56 2HH1 ARG 56 12.194 -5.109 11.879 448 1HH2 ARG 56 1HH2 ARG 56 11.491 -5.982 8.573 449 2HH2 ARG 56 2HH2 ARG 56 11.700 -6.559 10.192 450 H GLY 57 H GLY 57 8.022 -1.702 6.674 451 1HA GLY 57 1HA GLY 57 5.423 -0.651 7.580 452 2HA GLY 57 2HA GLY 57 6.235 -0.197 6.089 453 H ARG 58 H ARG 58 5.510 -3.361 7.523 454 HA ARG 58 HA ARG 58 4.741 -4.466 5.020 455 1HB ARG 58 2HB ARG 58 4.166 -6.485 6.312 456 2HB ARG 58 1HB ARG 58 5.763 -5.874 6.686 457 1HG ARG 58 1HG ARG 58 4.907 -4.858 8.731 458 2HG ARG 58 2HG ARG 58 3.317 -5.514 8.359 459 1HD ARG 58 2HD ARG 58 4.234 -7.781 8.418 460 2HD ARG 58 1HD ARG 58 5.821 -7.122 8.803 461 HE ARG 58 HE ARG 58 3.670 -7.580 10.614 462 1HH1 ARG 58 1HH1 ARG 58 6.420 -5.465 10.060 463 2HH1 ARG 58 2HH1 ARG 58 6.551 -5.016 11.725 464 1HH2 ARG 58 1HH2 ARG 58 3.867 -6.977 12.789 465 2HH2 ARG 58 2HH2 ARG 58 5.109 -5.870 13.268 466 H LEU 59 H LEU 59 3.045 -2.490 7.110 467 HA LEU 59 HA LEU 59 0.444 -3.668 6.575 468 1HB LEU 59 1HB LEU 59 -0.482 -1.886 7.957 469 2HB LEU 59 2HB LEU 59 0.804 -2.730 8.791 470 HG LEU 59 HG LEU 59 1.457 -0.179 7.369 471 1HD1 LEU 59 1HD1 LEU 59 -0.593 0.293 8.645 472 2HD1 LEU 59 2HD1 LEU 59 0.815 1.119 9.314 473 3HD1 LEU 59 3HD1 LEU 59 0.185 -0.329 10.100 474 1HD2 LEU 59 1HD2 LEU 59 2.742 -1.972 9.189 475 2HD2 LEU 59 2HD2 LEU 59 2.590 -0.386 9.945 476 3HD2 LEU 59 3HD2 LEU 59 3.399 -0.545 8.386 477 H PHE 60 H PHE 60 2.520 -1.903 4.796 478 HA PHE 60 HA PHE 60 0.450 -0.242 3.536 479 1HB PHE 60 2HB PHE 60 3.466 -0.165 3.294 480 2HB PHE 60 1HB PHE 60 2.383 0.819 2.320 481 HD1 PHE 60 HD1 PHE 60 1.388 2.786 3.191 482 HD2 PHE 60 HD2 PHE 60 3.622 0.216 5.746 483 HE1 PHE 60 HE1 PHE 60 1.403 4.528 4.928 484 HE2 PHE 60 HE2 PHE 60 3.633 1.952 7.488 485 HZ PHE 60 HZ PHE 60 2.523 4.111 7.081 486 H TRP 61 H TRP 61 -0.479 -0.919 1.745 487 HA TRP 61 HA TRP 61 0.858 -2.997 0.139 488 1HB TRP 61 1HB TRP 61 -2.042 -2.436 0.682 489 2HB TRP 61 2HB TRP 61 -1.560 -3.372 -0.718 490 HD1 TRP 61 HD1 TRP 61 0.666 -4.251 2.145 491 HE1 TRP 61 HE1 TRP 61 -0.081 -6.462 3.202 492 HE3 TRP 61 HE3 TRP 61 -3.913 -4.748 -0.088 493 HZ2 TRP 61 HZ2 TRP 61 -2.298 -8.190 3.132 494 HZ3 TRP 61 HZ3 TRP 61 -5.271 -6.716 0.466 495 HH2 TRP 61 HH2 TRP 61 -4.493 -8.399 2.038 496 H GLY 62 H GLY 62 1.248 -2.666 -1.942 497 1HA GLY 62 2HA GLY 62 0.735 0.001 -3.033 498 2HA GLY 62 1HA GLY 62 1.855 -1.222 -3.698 499 H GLY 63 H GLY 63 0.201 0.158 -5.369 500 1HA GLY 63 2HA GLY 63 -0.874 -1.555 -7.102 501 2HA GLY 63 1HA GLY 63 -2.167 -1.446 -5.915 502 H SER 64 H SER 64 -3.315 -0.651 -7.912 503 HA SER 64 HA SER 64 -2.966 2.269 -8.131 504 1HB SER 64 1HB SER 64 -3.652 2.147 -10.485 505 2HB SER 64 2HB SER 64 -2.204 1.181 -10.205 506 HG SER 64 HG SER 64 -3.443 -0.196 -11.289 507 H VAL 65 H VAL 65 -4.901 3.470 -8.622 508 HA VAL 65 HA VAL 65 -7.297 2.158 -7.545 509 HB VAL 65 HB VAL 65 -6.639 4.045 -6.204 510 1HG1 VAL 65 1HG1 VAL 65 -6.707 5.674 -8.739 511 2HG1 VAL 65 2HG1 VAL 65 -5.292 5.294 -7.757 512 3HG1 VAL 65 3HG1 VAL 65 -6.554 6.345 -7.115 513 1HG2 VAL 65 1HG2 VAL 65 -9.121 3.659 -6.942 514 2HG2 VAL 65 2HG2 VAL 65 -8.912 5.221 -7.734 515 3HG2 VAL 65 3HG2 VAL 65 -8.678 5.078 -5.991 516 H GLN 66 H GLN 66 -9.030 1.838 -8.763 517 HA GLN 66 HA GLN 66 -9.032 2.908 -11.490 518 1HB GLN 66 1HB GLN 66 -9.198 0.437 -11.172 519 2HB GLN 66 2HB GLN 66 -10.730 0.680 -10.342 520 1HG GLN 66 2HG GLN 66 -11.690 1.641 -12.357 521 2HG GLN 66 1HG GLN 66 -10.148 1.450 -13.196 522 1HE2 GLN 66 1HE2 GLN 66 -9.963 -0.280 -14.407 523 2HE2 GLN 66 2HE2 GLN 66 -10.863 -1.746 -14.245 524 H GLY 67 H GLY 67 -10.733 4.019 -12.344 525 1HA GLY 67 1HA GLY 67 -13.278 4.410 -11.327 526 2HA GLY 67 2HA GLY 67 -12.267 5.647 -10.587 527 H ASP 68 H ASP 68 -10.504 6.101 -12.662 528 HA ASP 68 HA ASP 68 -12.166 7.049 -14.892 529 1HB ASP 68 2HB ASP 68 -10.103 8.647 -13.350 530 2HB ASP 68 1HB ASP 68 -10.745 9.143 -14.911 531 H TYR 69 H TYR 69 -11.223 4.970 -15.675 532 HA TYR 69 HA TYR 69 -8.440 4.746 -16.174 533 1HB TYR 69 2HB TYR 69 -10.010 2.813 -15.935 534 2HB TYR 69 1HB TYR 69 -10.692 3.222 -17.502 535 HD1 TYR 69 HD1 TYR 69 -9.998 1.864 -19.220 536 HD2 TYR 69 HD2 TYR 69 -7.246 2.712 -16.085 537 HE1 TYR 69 HE1 TYR 69 -8.313 0.453 -20.322 538 HE2 TYR 69 HE2 TYR 69 -5.555 1.308 -17.182 539 HH TYR 69 HH TYR 69 -5.357 0.545 -20.028 540 H TYR 70 H TYR 70 -7.786 6.565 -17.234 541 HA TYR 70 HA TYR 70 -8.573 6.764 -20.063 542 1HB TYR 70 2HB TYR 70 -7.951 8.961 -18.098 543 2HB TYR 70 1HB TYR 70 -7.796 9.217 -19.830 544 HD1 TYR 70 HD1 TYR 70 -9.646 9.843 -21.098 545 HD2 TYR 70 HD2 TYR 70 -10.268 8.211 -17.217 546 HE1 TYR 70 HE1 TYR 70 -12.031 10.419 -21.243 547 HE2 TYR 70 HE2 TYR 70 -12.656 8.778 -17.355 548 HH TYR 70 HH TYR 70 -14.351 9.162 -19.253 549 H GLY 71 H GLY 71 -6.152 6.068 -17.879 550 1HA GLY 71 1HA GLY 71 -4.019 5.262 -18.404 551 2HA GLY 71 2HA GLY 71 -4.150 6.006 -19.989 552 H ASP 72 H ASP 72 -4.102 7.066 -16.574 553 HA ASP 72 HA ASP 72 -1.822 8.775 -17.113 554 1HB ASP 72 1HB ASP 72 -3.747 10.183 -17.761 555 2HB ASP 72 2HB ASP 72 -4.438 9.964 -16.158 556 H LEU 73 H LEU 73 -4.309 7.801 -14.773 557 HA LEU 73 HA LEU 73 -2.525 8.371 -12.553 558 1HB LEU 73 1HB LEU 73 -4.343 8.058 -11.100 559 2HB LEU 73 2HB LEU 73 -4.993 8.896 -12.490 560 HG LEU 73 HG LEU 73 -5.290 5.918 -12.069 561 1HD1 LEU 73 1HD1 LEU 73 -6.327 7.483 -10.300 562 2HD1 LEU 73 2HD1 LEU 73 -7.347 6.252 -11.047 563 3HD1 LEU 73 3HD1 LEU 73 -7.453 7.928 -11.583 564 1HD2 LEU 73 1HD2 LEU 73 -7.368 6.623 -13.584 565 2HD2 LEU 73 2HD2 LEU 73 -5.813 6.146 -14.263 566 3HD2 LEU 73 3HD2 LEU 73 -6.219 7.855 -14.104 567 H ALA 74 H ALA 74 -3.595 5.627 -14.389 568 HA ALA 74 HA ALA 74 -2.412 3.779 -12.440 569 1HB ALA 74 1HB ALA 74 -4.756 3.456 -13.508 570 2HB ALA 74 2HB ALA 74 -3.676 2.068 -13.360 571 3HB ALA 74 3HB ALA 74 -3.848 2.888 -14.912 572 H ALA 75 H ALA 75 -0.803 5.551 -14.100 573 HA ALA 75 HA ALA 75 0.480 3.739 -16.003 574 1HB ALA 75 1HB ALA 75 1.339 5.572 -17.060 575 2HB ALA 75 2HB ALA 75 1.462 6.511 -15.573 576 3HB ALA 75 3HB ALA 75 -0.106 6.291 -16.349 577 H ARG 76 H ARG 76 1.198 5.604 -13.078 578 HA ARG 76 HA ARG 76 3.631 3.993 -12.747 579 1HB ARG 76 1HB ARG 76 4.510 6.002 -11.410 580 2HB ARG 76 2HB ARG 76 4.485 6.127 -13.160 581 1HG ARG 76 2HG ARG 76 3.694 8.188 -12.517 582 2HG ARG 76 1HG ARG 76 2.200 7.299 -12.803 583 1HD ARG 76 2HD ARG 76 2.006 6.865 -10.399 584 2HD ARG 76 1HD ARG 76 3.502 7.755 -10.118 585 HE ARG 76 HE ARG 76 1.730 9.423 -11.496 586 1HH1 ARG 76 1HH1 ARG 76 2.018 7.927 -8.336 587 2HH1 ARG 76 2HH1 ARG 76 1.124 9.175 -7.537 588 1HH2 ARG 76 1HH2 ARG 76 0.559 11.050 -10.428 589 2HH2 ARG 76 2HH2 ARG 76 0.298 10.941 -8.720 590 H LEU 77 H LEU 77 0.651 4.327 -11.648 591 HA LEU 77 HA LEU 77 -0.511 4.079 -9.714 592 1HB LEU 77 1HB LEU 77 -0.152 1.940 -8.660 593 2HB LEU 77 2HB LEU 77 0.014 1.816 -10.396 594 HG LEU 77 HG LEU 77 2.563 2.277 -9.130 595 1HD1 LEU 77 1HD1 LEU 77 2.796 0.420 -7.769 596 2HD1 LEU 77 2HD1 LEU 77 1.382 -0.384 -8.452 597 3HD1 LEU 77 3HD1 LEU 77 1.176 0.983 -7.356 598 1HD2 LEU 77 1HD2 LEU 77 1.378 0.772 -11.277 599 2HD2 LEU 77 2HD2 LEU 77 2.492 -0.233 -10.346 600 3HD2 LEU 77 3HD2 LEU 77 3.054 1.281 -11.054 601 H GLY 78 H GLY 78 0.335 2.935 -7.163 602 1HA GLY 78 2HA GLY 78 2.354 4.561 -5.993 603 2HA GLY 78 1HA GLY 78 0.762 5.239 -5.695 604 H TYR 79 H TYR 79 1.219 4.888 -3.438 605 HA TYR 79 HA TYR 79 0.771 2.100 -2.592 606 1HB TYR 79 2HB TYR 79 2.376 4.225 -1.140 607 2HB TYR 79 1HB TYR 79 2.040 2.614 -0.521 608 HD1 TYR 79 HD1 TYR 79 4.717 4.173 -1.144 609 HD2 TYR 79 HD2 TYR 79 2.584 1.075 -3.140 610 HE1 TYR 79 HE1 TYR 79 6.815 3.381 -2.148 611 HE2 TYR 79 HE2 TYR 79 4.675 0.282 -4.158 612 HH TYR 79 HH TYR 79 7.716 1.251 -3.097 613 H PHE 80 H PHE 80 -0.415 1.832 -0.602 614 HA PHE 80 HA PHE 80 -1.864 4.066 0.505 615 1HB PHE 80 2HB PHE 80 -4.120 3.028 0.019 616 2HB PHE 80 1HB PHE 80 -3.303 3.719 -1.378 617 HD1 PHE 80 HD1 PHE 80 -4.194 0.529 0.297 618 HD2 PHE 80 HD2 PHE 80 -2.755 2.396 -3.250 619 HE1 PHE 80 HE1 PHE 80 -4.470 -1.587 -0.926 620 HE2 PHE 80 HE2 PHE 80 -3.030 0.283 -4.474 621 HZ PHE 80 HZ PHE 80 -3.888 -1.711 -3.314 622 HA PRO 81 HA PRO 81 -1.741 1.361 4.047 623 1HB PRO 81 2HB PRO 81 -4.162 2.554 5.162 624 2HB PRO 81 1HB PRO 81 -2.495 2.695 5.722 625 1HG PRO 81 2HG PRO 81 -3.837 4.768 4.624 626 2HG PRO 81 1HG PRO 81 -2.084 4.564 4.450 627 1HD PRO 81 2HD PRO 81 -4.271 3.910 2.505 628 2HD PRO 81 1HD PRO 81 -2.698 4.686 2.212 629 H SER 82 H SER 82 -2.420 -0.672 4.365 630 HA SER 82 HA SER 82 -4.546 -1.800 2.898 631 1HB SER 82 2HB SER 82 -4.031 -3.865 4.087 632 2HB SER 82 1HB SER 82 -2.530 -3.037 3.685 633 HG SER 82 HG SER 82 -2.410 -3.682 5.810 634 H SER 83 H SER 83 -4.446 -0.275 5.983 635 HA SER 83 HA SER 83 -6.681 -1.455 7.218 636 1HB SER 83 2HB SER 83 -6.627 0.514 8.710 637 2HB SER 83 1HB SER 83 -5.032 -0.205 8.486 638 HG SER 83 HG SER 83 -4.710 1.930 8.197 639 H ILE 84 H ILE 84 -6.534 0.991 4.708 640 HA ILE 84 HA ILE 84 -9.297 1.774 5.272 641 HB ILE 84 HB ILE 84 -9.084 3.488 3.577 642 1HG1 ILE 84 2HG1 ILE 84 -6.171 2.817 3.271 643 2HG1 ILE 84 1HG1 ILE 84 -7.380 2.095 2.205 644 1HG2 ILE 84 1HG2 ILE 84 -7.385 4.868 4.704 645 2HG2 ILE 84 2HG2 ILE 84 -6.808 3.431 5.549 646 3HG2 ILE 84 3HG2 ILE 84 -8.443 4.026 5.837 647 1HD1 ILE 84 1HD1 ILE 84 -7.147 3.884 0.928 648 2HD1 ILE 84 2HD1 ILE 84 -6.214 4.731 2.164 649 3HD1 ILE 84 3HD1 ILE 84 -7.977 4.790 2.193 650 H VAL 85 H VAL 85 -7.900 -0.693 3.601 651 HA VAL 85 HA VAL 85 -10.115 -0.711 1.652 652 HB VAL 85 HB VAL 85 -8.682 -2.154 0.186 653 1HG1 VAL 85 1HG1 VAL 85 -7.841 0.673 0.786 654 2HG1 VAL 85 2HG1 VAL 85 -8.977 0.112 -0.441 655 3HG1 VAL 85 3HG1 VAL 85 -7.257 -0.236 -0.609 656 1HG2 VAL 85 1HG2 VAL 85 -6.180 -1.850 0.556 657 2HG2 VAL 85 2HG2 VAL 85 -7.008 -2.994 1.614 658 3HG2 VAL 85 3HG2 VAL 85 -6.592 -1.386 2.208 659 H ARG 86 H ARG 86 -11.305 -2.525 1.386 660 HA ARG 86 HA ARG 86 -10.800 -4.720 3.281 661 1HB ARG 86 2HB ARG 86 -12.875 -3.402 3.690 662 2HB ARG 86 1HB ARG 86 -13.449 -3.872 2.096 663 1HG ARG 86 1HG ARG 86 -13.507 -6.194 2.756 664 2HG ARG 86 2HG ARG 86 -12.810 -5.792 4.327 665 1HD ARG 86 2HD ARG 86 -14.769 -4.426 4.842 666 2HD ARG 86 1HD ARG 86 -15.469 -4.837 3.277 667 HE ARG 86 HE ARG 86 -14.889 -7.212 4.637 668 1HH1 ARG 86 1HH1 ARG 86 -17.090 -4.494 4.901 669 2HH1 ARG 86 2HH1 ARG 86 -18.320 -5.419 5.693 670 1HH2 ARG 86 1HH2 ARG 86 -16.514 -8.409 5.676 671 2HH2 ARG 86 2HH2 ARG 86 -17.995 -7.634 6.132 672 H GLU 87 H GLU 87 -9.977 -6.413 2.308 673 HA GLU 87 HA GLU 87 -10.466 -6.916 -0.507 674 1HB GLU 87 1HB GLU 87 -8.556 -8.032 1.527 675 2HB GLU 87 2HB GLU 87 -8.832 -8.880 0.011 676 1HG GLU 87 1HG GLU 87 -6.932 -7.563 -0.335 677 2HG GLU 87 2HG GLU 87 -8.242 -6.723 -1.155 678 H ASP 88 H ASP 88 -12.098 -8.086 -1.151 679 HA ASP 88 HA ASP 88 -13.119 -10.203 0.618 680 1HB ASP 88 2HB ASP 88 -15.315 -9.881 -0.445 681 2HB ASP 88 1HB ASP 88 -14.743 -8.405 0.323 682 H GLN 89 H GLN 89 -12.018 -9.412 -2.614 683 HA GLN 89 HA GLN 89 -12.200 -12.290 -3.258 684 1HB GLN 89 2HB GLN 89 -14.055 -10.949 -4.338 685 2HB GLN 89 1HB GLN 89 -12.814 -10.139 -5.282 686 1HG GLN 89 1HG GLN 89 -12.404 -12.935 -5.519 687 2HG GLN 89 2HG GLN 89 -14.113 -12.604 -5.799 688 1HE2 GLN 89 1HE2 GLN 89 -11.190 -12.873 -7.251 689 2HE2 GLN 89 2HE2 GLN 89 -11.483 -11.949 -8.676 690 H THR 90 H THR 90 -10.545 -13.174 -4.383 691 HA THR 90 HA THR 90 -8.227 -11.450 -4.966 692 HB THR 90 HB THR 90 -8.311 -14.434 -4.447 693 HG1 THR 90 HG1 THR 90 -7.482 -12.293 -2.795 694 1HG2 THR 90 1HG2 THR 90 -6.389 -13.740 -5.849 695 2HG2 THR 90 2HG2 THR 90 -5.931 -14.404 -4.280 696 3HG2 THR 90 3HG2 THR 90 -5.890 -12.661 -4.547 697 H LEU 91 H LEU 91 -7.710 -11.147 -7.035 698 HA LEU 91 HA LEU 91 -9.134 -12.562 -9.130 699 1HB LEU 91 1HB LEU 91 -7.006 -10.449 -9.447 700 2HB LEU 91 2HB LEU 91 -8.226 -10.916 -10.614 701 HG LEU 91 HG LEU 91 -9.009 -9.693 -7.987 702 1HD1 LEU 91 1HD2 LEU 91 -8.949 -7.504 -8.989 703 2HD1 LEU 91 2HD2 LEU 91 -8.338 -8.180 -10.501 704 3HD1 LEU 91 3HD2 LEU 91 -7.340 -8.227 -9.047 705 1HD2 LEU 91 1HD1 LEU 91 -10.595 -8.886 -10.190 706 2HD2 LEU 91 2HD1 LEU 91 -11.051 -9.888 -8.813 707 3HD2 LEU 91 3HD1 LEU 91 -10.398 -10.637 -10.271 708 H LYS 92 H LYS 92 -5.912 -12.343 -7.832 709 HA LYS 92 HA LYS 92 -5.086 -14.731 -9.243 710 1HB LYS 92 2HB LYS 92 -4.588 -12.794 -10.792 711 2HB LYS 92 1HB LYS 92 -3.465 -12.201 -9.584 712 1HG LYS 92 2HG LYS 92 -1.879 -13.446 -10.497 713 2HG LYS 92 1HG LYS 92 -2.775 -14.887 -10.023 714 1HD LYS 92 1HD LYS 92 -3.263 -13.383 -12.589 715 2HD LYS 92 2HD LYS 92 -2.171 -14.757 -12.462 716 1HE LYS 92 2HE LYS 92 -5.125 -14.808 -11.840 717 2HE LYS 92 1HE LYS 92 -4.380 -15.406 -13.322 718 1HZ LYS 92 1HZ LYS 92 -4.278 -17.344 -12.255 719 2HZ LYS 92 2HZ LYS 92 -4.570 -16.648 -10.740 720 3HZ LYS 92 3HZ LYS 92 -3.000 -16.681 -11.366 721 HA PRO 93 HA PRO 93 -3.197 -15.288 -5.198 722 1HB PRO 93 2HB PRO 93 -1.441 -17.170 -6.691 723 2HB PRO 93 1HB PRO 93 -2.384 -17.446 -5.233 724 1HG PRO 93 1HG PRO 93 -3.244 -18.446 -7.495 725 2HG PRO 93 2HG PRO 93 -4.402 -17.605 -6.439 726 1HD PRO 93 2HD PRO 93 -2.954 -16.561 -8.853 727 2HD PRO 93 1HD PRO 93 -4.685 -16.466 -8.480 728 H GLY 94 H GLY 94 -1.721 -14.092 -4.215 729 1HA GLY 94 1HA GLY 94 0.640 -13.174 -5.720 730 2HA GLY 94 2HA GLY 94 -0.028 -12.394 -4.289 731 H LYS 95 H LYS 95 1.908 -15.009 -5.495 732 HA LYS 95 HA LYS 95 2.951 -15.458 -2.792 733 1HB LYS 95 1HB LYS 95 3.268 -17.890 -3.557 734 2HB LYS 95 2HB LYS 95 1.655 -17.360 -3.100 735 1HG LYS 95 2HG LYS 95 1.102 -17.036 -5.462 736 2HG LYS 95 1HG LYS 95 2.710 -17.615 -5.906 737 1HD LYS 95 2HD LYS 95 2.197 -19.764 -4.794 738 2HD LYS 95 1HD LYS 95 0.569 -19.171 -4.457 739 1HE LYS 95 2HE LYS 95 0.552 -20.591 -6.423 740 2HE LYS 95 1HE LYS 95 0.172 -18.927 -6.867 741 1HZ LYS 95 1HZ LYS 95 2.963 -19.810 -7.023 742 2HZ LYS 95 2HZ LYS 95 2.139 -18.674 -7.966 743 3HZ LYS 95 3HZ LYS 95 1.891 -20.327 -8.227 744 H VAL 96 H VAL 96 3.984 -13.795 -4.985 745 HA VAL 96 HA VAL 96 6.596 -15.124 -5.372 746 HB VAL 96 HB VAL 96 5.328 -13.098 -7.240 747 1HG1 VAL 96 1HG1 VAL 96 7.897 -14.663 -7.417 748 2HG1 VAL 96 2HG1 VAL 96 7.705 -12.911 -7.359 749 3HG1 VAL 96 3HG1 VAL 96 7.172 -13.811 -8.779 750 1HG2 VAL 96 1HG2 VAL 96 5.852 -15.828 -8.203 751 2HG2 VAL 96 2HG2 VAL 96 4.495 -14.750 -8.527 752 3HG2 VAL 96 3HG2 VAL 96 4.545 -15.678 -7.028 753 H ASP 97 H ASP 97 8.446 -13.884 -4.978 754 HA ASP 97 HA ASP 97 7.963 -11.311 -3.618 755 1HB ASP 97 2HB ASP 97 8.862 -13.076 -2.164 756 2HB ASP 97 1HB ASP 97 10.233 -13.281 -3.247 757 H VAL 98 H VAL 98 8.590 -9.557 -4.665 758 HA VAL 98 HA VAL 98 10.962 -9.680 -6.422 759 HB VAL 98 HB VAL 98 8.563 -7.922 -6.998 760 1HG1 VAL 98 1HG1 VAL 98 10.685 -8.800 -8.932 761 2HG1 VAL 98 2HG1 VAL 98 10.904 -7.389 -7.894 762 3HG1 VAL 98 3HG1 VAL 98 9.572 -7.437 -9.050 763 1HG2 VAL 98 1HG2 VAL 98 9.004 -10.759 -7.654 764 2HG2 VAL 98 2HG2 VAL 98 8.478 -9.733 -8.988 765 3HG2 VAL 98 3HG2 VAL 98 7.504 -9.839 -7.521 766 H LYS 99 H LYS 99 12.435 -8.063 -6.134 767 HA LYS 99 HA LYS 99 12.071 -6.295 -3.879 768 1HB LYS 99 1HB LYS 99 14.416 -5.623 -4.315 769 2HB LYS 99 2HB LYS 99 14.224 -7.363 -4.171 770 1HG LYS 99 2HG LYS 99 14.352 -7.624 -6.555 771 2HG LYS 99 1HG LYS 99 14.443 -5.876 -6.771 772 1HD LYS 99 2HD LYS 99 16.553 -5.839 -5.524 773 2HD LYS 99 1HD LYS 99 16.457 -7.588 -5.313 774 1HE LYS 99 2HE LYS 99 16.632 -6.148 -7.959 775 2HE LYS 99 1HE LYS 99 17.972 -6.950 -7.142 776 1HZ LYS 99 1HZ LYS 99 16.307 -8.962 -7.220 777 2HZ LYS 99 2HZ LYS 99 17.304 -8.600 -8.537 778 3HZ LYS 99 3HZ LYS 99 15.684 -8.115 -8.546 779 H THR 100 H THR 100 12.571 -3.960 -3.997 780 HA THR 100 HA THR 100 11.249 -2.765 -6.320 781 HB THR 100 HB THR 100 11.108 -0.723 -4.936 782 HG1 THR 100 HG1 THR 100 12.767 -2.231 -3.274 783 1HG2 THR 100 1HG2 THR 100 9.993 -2.027 -2.838 784 2HG2 THR 100 2HG2 THR 100 9.954 -3.273 -4.087 785 3HG2 THR 100 3HG2 THR 100 9.189 -1.710 -4.376 786 H ASP 101 H ASP 101 12.096 -0.710 -7.186 787 HA ASP 101 HA ASP 101 15.004 -0.866 -7.514 788 1HB ASP 101 2HB ASP 101 12.890 0.544 -9.151 789 2HB ASP 101 1HB ASP 101 14.614 0.607 -9.495 790 H LYS 102 H LYS 102 15.882 1.518 -8.138 791 HA LYS 102 HA LYS 102 15.607 3.026 -5.689 792 1HB LYS 102 2HB LYS 102 17.438 4.401 -6.533 793 2HB LYS 102 1HB LYS 102 17.831 2.694 -6.670 794 1HG LYS 102 2HG LYS 102 17.463 2.715 -9.024 795 2HG LYS 102 1HG LYS 102 16.779 4.337 -8.960 796 1HD LYS 102 2HD LYS 102 19.610 3.775 -8.122 797 2HD LYS 102 1HD LYS 102 19.182 4.096 -9.801 798 1HE LYS 102 2HE LYS 102 19.858 6.176 -8.934 799 2HE LYS 102 1HE LYS 102 18.098 6.244 -8.953 800 1HZ LYS 102 1HZ LYS 102 19.375 5.303 -6.501 801 2HZ LYS 102 2HZ LYS 102 17.983 6.241 -6.704 802 3HZ LYS 102 3HZ LYS 102 19.509 6.952 -6.857 803 H TRP 103 H TRP 103 14.319 3.163 -8.873 804 HA TRP 103 HA TRP 103 13.694 5.977 -8.838 805 1HB TRP 103 2HB TRP 103 12.666 3.800 -10.675 806 2HB TRP 103 1HB TRP 103 12.474 5.530 -10.922 807 HD1 TRP 103 HD1 TRP 103 15.096 2.753 -11.125 808 HE1 TRP 103 HE1 TRP 103 17.111 3.608 -12.477 809 HE3 TRP 103 HE3 TRP 103 13.735 7.662 -11.600 810 HZ2 TRP 103 HZ2 TRP 103 18.007 6.037 -13.592 811 HZ3 TRP 103 HZ3 TRP 103 15.231 9.185 -12.824 812 HH2 TRP 103 HH2 TRP 103 17.323 8.387 -13.800 813 H ASP 104 H ASP 104 12.384 3.256 -7.389 814 HA ASP 104 HA ASP 104 9.609 4.023 -7.457 815 1HB ASP 104 2HB ASP 104 11.121 1.946 -5.861 816 2HB ASP 104 1HB ASP 104 9.382 2.169 -5.754 817 H PHE 105 H PHE 105 12.331 4.955 -5.669 818 HA PHE 105 HA PHE 105 10.673 6.063 -3.493 819 1HB PHE 105 2HB PHE 105 13.445 4.940 -3.560 820 2HB PHE 105 1HB PHE 105 13.075 6.196 -2.394 821 HD1 PHE 105 HD1 PHE 105 13.960 4.271 -0.944 822 HD2 PHE 105 HD2 PHE 105 10.162 4.182 -2.873 823 HE1 PHE 105 HE1 PHE 105 13.180 2.602 0.667 824 HE2 PHE 105 HE2 PHE 105 9.384 2.504 -1.252 825 HZ PHE 105 HZ PHE 105 10.903 1.722 0.529 826 H TYR 106 H TYR 106 13.272 6.703 -5.772 827 HA TYR 106 HA TYR 106 13.535 9.469 -4.927 828 1HB TYR 106 2HB TYR 106 15.531 8.142 -5.468 829 2HB TYR 106 1HB TYR 106 14.936 7.890 -7.100 830 HD1 TYR 106 HD1 TYR 106 16.303 8.956 -8.588 831 HD2 TYR 106 HD2 TYR 106 15.315 10.985 -4.970 832 HE1 TYR 106 HE1 TYR 106 17.553 10.928 -9.354 833 HE2 TYR 106 HE2 TYR 106 16.554 12.962 -5.742 834 HH TYR 106 HH TYR 106 18.733 12.916 -8.221 835 H CYS 107 H CYS 107 12.107 10.904 -5.616 836 HA CYS 107 HA CYS 107 11.223 10.801 -8.421 837 1HB CYS 107 2HB CYS 107 9.100 11.950 -7.525 838 2HB CYS 107 1HB CYS 107 9.293 10.229 -7.299 839 H GLN 108 HN GLN 108 13.086 12.132 -8.677 840 HA GLN 108 HA GLN 108 12.391 14.935 -8.603 841 1HB GLN 108 2HB GLN 108 13.519 14.850 -6.525 842 2HB GLN 108 1HB GLN 108 14.761 13.780 -7.150 843 1HG GLN 108 2HG GLN 108 15.733 15.530 -8.421 844 2HG GLN 108 1HG GLN 108 14.409 16.625 -8.028 845 1HE2 GLN 108 1HE2 GLN 108 14.879 18.052 -6.523 846 2HE2 GLN 108 2HE2 GLN 108 16.005 17.845 -5.229 Start of MODEL 11 1 1H MET 1 1HT MET 1 7.326 15.503 -3.902 2 2H MET 1 2HT MET 1 6.178 15.326 -5.131 3 3H MET 1 3HT MET 1 7.082 16.751 -5.019 4 HA MET 1 HA MET 1 7.915 14.088 -5.945 5 1HB MET 1 2HB MET 1 8.289 16.918 -6.948 6 2HB MET 1 1HB MET 1 8.935 15.490 -7.740 7 1HG MET 1 1HG MET 1 6.677 14.653 -8.101 8 2HG MET 1 2HG MET 1 6.017 16.067 -7.284 9 1HE MET 1 1HE MET 1 6.130 18.437 -8.109 10 2HE MET 1 2HE MET 1 6.612 18.961 -9.722 11 3HE MET 1 3HE MET 1 7.839 18.538 -8.528 12 H GLY 2 H GLY 2 9.912 13.317 -5.613 13 1HA GLY 2 2HA GLY 2 12.337 14.237 -5.427 14 2HA GLY 2 1HA GLY 2 11.723 14.925 -3.934 15 HA PRO 3 HA PRO 3 13.140 10.514 -3.173 16 1HB PRO 3 2HB PRO 3 15.684 11.085 -2.179 17 2HB PRO 3 1HB PRO 3 15.308 10.471 -3.786 18 1HG PRO 3 1HG PRO 3 16.357 13.016 -3.107 19 2HG PRO 3 2HG PRO 3 15.904 12.425 -4.708 20 1HD PRO 3 1HD PRO 3 14.446 14.209 -2.885 21 2HD PRO 3 2HD PRO 3 14.296 14.012 -4.640 22 H MET 4 H MET 4 12.705 9.608 -1.276 23 HA MET 4 HA MET 4 13.345 10.901 1.234 24 1HB MET 4 2HB MET 4 10.859 10.561 1.956 25 2HB MET 4 1HB MET 4 11.305 11.996 1.048 26 1HG MET 4 1HG MET 4 9.309 11.270 0.087 27 2HG MET 4 2HG MET 4 10.565 10.743 -1.028 28 1HE MET 4 1HE MET 4 9.198 8.698 2.406 29 2HE MET 4 2HE MET 4 7.736 8.295 1.505 30 3HE MET 4 3HE MET 4 8.203 9.983 1.719 31 HA PRO 5 HA PRO 5 13.979 6.843 2.943 32 1HB PRO 5 2HB PRO 5 11.791 7.433 4.899 33 2HB PRO 5 1HB PRO 5 13.397 6.753 5.184 34 1HG PRO 5 1HG PRO 5 12.925 9.294 5.735 35 2HG PRO 5 2HG PRO 5 14.448 8.821 4.955 36 1HD PRO 5 1HD PRO 5 12.047 10.150 3.785 37 2HD PRO 5 2HD PRO 5 13.763 10.363 3.392 38 H LYS 6 H LYS 6 13.300 4.811 2.609 39 HA LYS 6 HA LYS 6 10.791 4.409 1.232 40 1HB LYS 6 2HB LYS 6 12.875 2.349 1.970 41 2HB LYS 6 1HB LYS 6 11.615 2.192 0.756 42 1HG LYS 6 2HG LYS 6 12.673 3.962 -0.568 43 2HG LYS 6 1HG LYS 6 13.948 4.093 0.642 44 1HD LYS 6 1HD LYS 6 13.375 1.462 -0.671 45 2HD LYS 6 2HD LYS 6 14.354 2.673 -1.496 46 1HE LYS 6 2HE LYS 6 15.852 1.214 -0.365 47 2HE LYS 6 1HE LYS 6 15.832 2.733 0.528 48 1HZ LYS 6 1HZ LYS 6 14.743 1.794 2.286 49 2HZ LYS 6 2HZ LYS 6 15.661 0.472 1.769 50 3HZ LYS 6 3HZ LYS 6 14.023 0.576 1.358 51 H LEU 7 H LEU 7 9.473 2.437 1.753 52 HA LEU 7 HA LEU 7 8.838 2.430 4.608 53 1HB LEU 7 2HB LEU 7 7.337 1.238 2.269 54 2HB LEU 7 1HB LEU 7 6.767 1.283 3.924 55 HG LEU 7 HG LEU 7 7.326 3.771 2.316 56 1HD1 LEU 7 1HD2 LEU 7 4.571 3.456 2.615 57 2HD1 LEU 7 2HD2 LEU 7 5.165 1.886 2.075 58 3HD1 LEU 7 3HD2 LEU 7 5.507 3.333 1.126 59 1HD2 LEU 7 1HD1 LEU 7 5.661 3.346 4.793 60 2HD2 LEU 7 2HD1 LEU 7 5.971 4.880 3.979 61 3HD2 LEU 7 3HD1 LEU 7 7.291 4.017 4.773 62 H ALA 8 H ALA 8 9.680 0.248 1.969 63 HA ALA 8 HA ALA 8 10.672 -1.719 3.876 64 1HB ALA 8 1HB ALA 8 9.442 -3.560 2.880 65 2HB ALA 8 2HB ALA 8 8.646 -2.451 1.763 66 3HB ALA 8 3HB ALA 8 8.321 -2.342 3.493 67 H ASP 9 H ASP 9 11.315 -3.775 2.237 68 HA ASP 9 HA ASP 9 12.995 -2.536 0.163 69 1HB ASP 9 2HB ASP 9 14.683 -4.289 0.618 70 2HB ASP 9 1HB ASP 9 14.390 -3.253 2.009 71 H ARG 10 H ARG 10 10.955 -5.266 1.023 72 HA ARG 10 HA ARG 10 10.941 -6.054 -1.817 73 1HB ARG 10 2HB ARG 10 10.820 -7.952 0.522 74 2HB ARG 10 1HB ARG 10 10.690 -8.405 -1.163 75 1HG ARG 10 1HG ARG 10 12.974 -7.681 -1.549 76 2HG ARG 10 2HG ARG 10 13.107 -7.165 0.134 77 1HD ARG 10 1HD ARG 10 12.713 -9.478 0.859 78 2HD ARG 10 2HD ARG 10 12.622 -9.983 -0.828 79 HE ARG 10 HE ARG 10 15.057 -8.669 -0.443 80 1HH1 ARG 10 1HH1 ARG 10 13.484 -11.635 0.575 81 2HH1 ARG 10 2HH1 ARG 10 14.974 -12.496 0.763 82 1HH2 ARG 10 1HH2 ARG 10 17.001 -9.815 -0.190 83 2HH2 ARG 10 2HH2 ARG 10 16.964 -11.467 0.330 84 H LYS 11 H LYS 11 9.003 -7.126 -2.536 85 HA LYS 11 HA LYS 11 6.624 -6.861 -0.884 86 1HB LYS 11 2HB LYS 11 5.530 -5.733 -2.998 87 2HB LYS 11 1HB LYS 11 6.376 -4.768 -1.800 88 1HG LYS 11 2HG LYS 11 7.251 -3.905 -3.721 89 2HG LYS 11 1HG LYS 11 8.432 -5.164 -3.383 90 1HD LYS 11 2HD LYS 11 7.140 -6.664 -4.923 91 2HD LYS 11 1HD LYS 11 6.171 -5.257 -5.353 92 1HE LYS 11 2HE LYS 11 9.160 -5.386 -5.647 93 2HE LYS 11 1HE LYS 11 8.025 -5.749 -6.944 94 1HZ LYS 11 1HZ LYS 11 7.729 -3.598 -7.339 95 2HZ LYS 11 2HZ LYS 11 9.037 -3.289 -6.314 96 3HZ LYS 11 3HZ LYS 11 7.460 -3.240 -5.708 97 H LEU 12 H LEU 12 4.804 -8.041 -1.642 98 HA LEU 12 HA LEU 12 5.540 -10.323 -3.303 99 1HB LEU 12 2HB LEU 12 3.153 -9.782 -1.538 100 2HB LEU 12 1HB LEU 12 3.246 -11.176 -2.589 101 HG LEU 12 HG LEU 12 3.774 -11.869 -0.363 102 1HD1 LEU 12 1HD2 LEU 12 6.552 -11.900 -1.187 103 2HD1 LEU 12 2HD2 LEU 12 5.456 -12.313 -2.506 104 3HD1 LEU 12 3HD2 LEU 12 5.407 -13.231 -1.001 105 1HD2 LEU 12 1HD1 LEU 12 4.486 -9.533 0.356 106 2HD2 LEU 12 2HD1 LEU 12 6.090 -9.978 -0.228 107 3HD2 LEU 12 3HD1 LEU 12 5.335 -10.905 1.068 108 H CYS 13 H CYS 13 4.469 -10.953 -5.137 109 HA CYS 13 HA CYS 13 2.380 -9.229 -6.253 110 1HB CYS 13 2HB CYS 13 4.920 -9.984 -7.720 111 2HB CYS 13 1HB CYS 13 3.532 -9.189 -8.448 112 H ALA 14 H ALA 14 1.411 -10.260 -8.262 113 HA ALA 14 HA ALA 14 0.845 -13.030 -7.728 114 1HB ALA 14 1HB ALA 14 -0.137 -11.022 -9.713 115 2HB ALA 14 2HB ALA 14 -1.037 -11.943 -8.508 116 3HB ALA 14 3HB ALA 14 -0.464 -12.738 -9.976 117 H ASP 15 H ASP 15 2.724 -11.206 -10.043 118 HA ASP 15 HA ASP 15 3.929 -13.704 -10.995 119 1HB ASP 15 1HB ASP 15 4.141 -12.698 -13.271 120 2HB ASP 15 2HB ASP 15 2.485 -13.030 -12.796 121 H GLN 16 H GLN 16 6.051 -13.227 -12.167 122 HA GLN 16 HA GLN 16 7.756 -11.858 -10.356 123 1HB GLN 16 1HB GLN 16 8.406 -12.883 -13.122 124 2HB GLN 16 2HB GLN 16 9.562 -12.473 -11.865 125 1HG GLN 16 2HG GLN 16 8.682 -14.273 -10.466 126 2HG GLN 16 1HG GLN 16 7.537 -14.692 -11.734 127 1HE2 GLN 16 1HE2 GLN 16 10.362 -13.764 -13.251 128 2HE2 GLN 16 2HE2 GLN 16 11.085 -15.318 -13.432 129 H GLU 17 H GLU 17 5.937 -10.736 -12.990 130 HA GLU 17 HA GLU 17 7.713 -8.517 -13.617 131 1HB GLU 17 2HB GLU 17 5.018 -9.334 -14.712 132 2HB GLU 17 1HB GLU 17 5.847 -7.872 -15.205 133 1HG GLU 17 2HG GLU 17 6.289 -9.482 -16.864 134 2HG GLU 17 1HG GLU 17 7.770 -9.327 -15.924 135 H CYS 18 H CYS 18 5.139 -9.200 -11.481 136 HA CYS 18 HA CYS 18 3.850 -7.974 -10.073 137 1HB CYS 18 1HB CYS 18 6.114 -6.014 -10.470 138 2HB CYS 18 2HB CYS 18 4.780 -5.708 -9.363 139 H SER 19 H SER 19 3.404 -7.898 -12.926 140 HA SER 19 HA SER 19 2.161 -5.285 -13.348 141 1HB SER 19 2HB SER 19 3.727 -6.127 -15.069 142 2HB SER 19 1HB SER 19 2.682 -7.515 -15.296 143 HG SER 19 HG SER 19 2.468 -5.519 -16.720 144 H HIS 20 H HIS 20 1.317 -8.010 -11.925 145 HA HIS 20 HA HIS 20 -1.392 -8.131 -13.068 146 1HB HIS 20 2HB HIS 20 0.417 -10.174 -11.909 147 2HB HIS 20 1HB HIS 20 -1.293 -10.347 -11.558 148 HD1 HIS 20 HD1 HIS 20 -0.731 -12.611 -12.940 149 HD2 HIS 20 HD2 HIS 20 -0.952 -9.094 -15.129 150 HE1 HIS 20 HE1 HIS 20 -1.201 -13.328 -15.286 151 HE2 HIS 20 HE2 HIS 20 -1.395 -11.180 -16.600 152 HA PRO 21 HA PRO 21 -2.852 -6.791 -9.058 153 1HB PRO 21 1HB PRO 21 -5.530 -7.212 -9.477 154 2HB PRO 21 2HB PRO 21 -4.624 -5.858 -10.156 155 1HG PRO 21 1HG PRO 21 -5.787 -8.122 -11.524 156 2HG PRO 21 2HG PRO 21 -5.048 -6.669 -12.210 157 1HD PRO 21 1HD PRO 21 -3.909 -9.339 -11.857 158 2HD PRO 21 2HD PRO 21 -3.329 -7.984 -12.850 159 H ILE 22 H ILE 22 -2.512 -7.964 -7.270 160 HA ILE 22 HA ILE 22 -2.986 -10.732 -7.028 161 HB ILE 22 HB ILE 22 -2.658 -8.742 -4.770 162 1HG1 ILE 22 1HG1 ILE 22 -0.504 -10.427 -6.065 163 2HG1 ILE 22 2HG1 ILE 22 -0.825 -8.759 -6.538 164 1HG2 ILE 22 1HG2 ILE 22 -3.437 -11.328 -4.546 165 2HG2 ILE 22 2HG2 ILE 22 -2.496 -10.474 -3.323 166 3HG2 ILE 22 3HG2 ILE 22 -1.683 -11.512 -4.493 167 1HD1 ILE 22 1HD1 ILE 22 0.949 -8.597 -5.051 168 2HD1 ILE 22 2HD1 ILE 22 0.271 -9.803 -3.958 169 3HD1 ILE 22 3HD1 ILE 22 -0.457 -8.200 -4.063 170 H SER 23 H SER 23 -4.557 -8.160 -5.114 171 HA SER 23 HA SER 23 -7.083 -9.645 -5.321 172 1HB SER 23 2HB SER 23 -7.465 -8.989 -2.881 173 2HB SER 23 1HB SER 23 -6.256 -10.240 -3.172 174 HG SER 23 HG SER 23 -4.657 -8.798 -2.771 175 H MET 24 H MET 24 -8.992 -8.408 -5.074 176 HA MET 24 HA MET 24 -8.626 -5.548 -5.698 177 1HB MET 24 1HB MET 24 -9.721 -7.091 -7.373 178 2HB MET 24 2HB MET 24 -11.047 -7.258 -6.235 179 1HG MET 24 2HG MET 24 -10.205 -4.544 -7.107 180 2HG MET 24 1HG MET 24 -11.159 -5.559 -8.182 181 1HE MET 24 1HE MET 24 -13.308 -6.589 -7.656 182 2HE MET 24 2HE MET 24 -14.544 -5.883 -6.616 183 3HE MET 24 3HE MET 24 -13.373 -7.019 -5.947 184 H ALA 25 H ALA 25 -9.198 -4.126 -4.168 185 HA ALA 25 HA ALA 25 -11.131 -5.004 -2.116 186 1HB ALA 25 1HB ALA 25 -8.468 -4.395 -1.721 187 2HB ALA 25 2HB ALA 25 -9.719 -4.488 -0.482 188 3HB ALA 25 3HB ALA 25 -9.317 -2.934 -1.213 189 H VAL 26 H VAL 26 -12.533 -3.520 -1.257 190 HA VAL 26 HA VAL 26 -13.015 -1.128 -2.908 191 HB VAL 26 HB VAL 26 -14.869 -2.430 -0.890 192 1HG1 VAL 26 1HG2 VAL 26 -15.494 -0.409 -3.042 193 2HG1 VAL 26 2HG2 VAL 26 -15.281 -0.021 -1.335 194 3HG1 VAL 26 3HG2 VAL 26 -16.609 -1.063 -1.843 195 1HG2 VAL 26 1HG1 VAL 26 -14.257 -3.810 -2.944 196 2HG2 VAL 26 2HG1 VAL 26 -15.129 -2.595 -3.879 197 3HG2 VAL 26 3HG1 VAL 26 -15.973 -3.532 -2.648 198 H ALA 27 H ALA 27 -12.825 0.904 -2.078 199 HA ALA 27 HA ALA 27 -11.503 1.282 0.424 200 1HB ALA 27 1HB ALA 27 -11.007 3.316 -0.357 201 2HB ALA 27 2HB ALA 27 -12.681 3.667 -0.788 202 3HB ALA 27 3HB ALA 27 -11.671 2.721 -1.881 203 H LEU 28 H LEU 28 -12.245 1.916 2.363 204 HA LEU 28 HA LEU 28 -15.145 2.006 2.729 205 1HB LEU 28 2HB LEU 28 -12.915 1.733 4.743 206 2HB LEU 28 1HB LEU 28 -14.623 1.718 5.131 207 HG LEU 28 HG LEU 28 -13.307 -0.326 3.342 208 1HD1 LEU 28 1HD2 LEU 28 -13.742 -1.762 5.478 209 2HD1 LEU 28 2HD2 LEU 28 -13.631 -0.207 6.303 210 3HD1 LEU 28 3HD2 LEU 28 -12.274 -0.794 5.341 211 1HD2 LEU 28 1HD1 LEU 28 -15.663 -1.199 4.715 212 2HD2 LEU 28 2HD1 LEU 28 -15.352 -1.111 2.982 213 3HD2 LEU 28 3HD1 LEU 28 -16.006 0.289 3.832 214 H GLN 29 H GLN 29 -12.425 4.139 2.755 215 HA GLN 29 HA GLN 29 -14.174 6.330 3.536 216 1HB GLN 29 1HB GLN 29 -12.598 7.213 5.209 217 2HB GLN 29 2HB GLN 29 -13.246 5.647 5.674 218 1HG GLN 29 2HG GLN 29 -11.199 4.554 5.061 219 2HG GLN 29 1HG GLN 29 -10.549 6.055 4.402 220 1HE2 GLN 29 1HE2 GLN 29 -9.224 7.112 5.666 221 2HE2 GLN 29 2HE2 GLN 29 -9.175 7.039 7.390 222 H ASP 30 H ASP 30 -12.596 8.435 3.662 223 HA ASP 30 HA ASP 30 -11.502 8.646 0.972 224 1HB ASP 30 1HB ASP 30 -12.012 10.756 3.083 225 2HB ASP 30 2HB ASP 30 -11.462 11.079 1.442 226 H TYR 31 H TYR 31 -9.447 9.487 0.512 227 HA TYR 31 HA TYR 31 -7.500 9.817 2.636 228 1HB TYR 31 2HB TYR 31 -7.607 7.323 2.011 229 2HB TYR 31 1HB TYR 31 -6.929 7.800 0.462 230 HD1 TYR 31 HD1 TYR 31 -4.620 7.880 0.203 231 HD2 TYR 31 HD2 TYR 31 -6.252 8.079 4.130 232 HE1 TYR 31 HE1 TYR 31 -2.353 7.768 1.146 233 HE2 TYR 31 HE2 TYR 31 -3.989 7.969 5.082 234 HH TYR 31 HH TYR 31 -1.421 6.908 3.601 235 H MET 32 H MET 32 -5.902 11.223 2.072 236 HA MET 32 HA MET 32 -5.849 12.145 -0.729 237 1HB MET 32 2HB MET 32 -5.185 13.674 1.796 238 2HB MET 32 1HB MET 32 -5.009 14.303 0.165 239 1HG MET 32 1HG MET 32 -7.604 13.431 1.421 240 2HG MET 32 2HG MET 32 -7.043 15.092 1.278 241 1HE MET 32 1HE MET 32 -9.616 14.596 0.643 242 2HE MET 32 2HE MET 32 -10.139 14.306 -1.016 243 3HE MET 32 3HE MET 32 -9.474 15.876 -0.561 244 H ALA 33 H ALA 33 -3.895 12.359 -1.773 245 HA ALA 33 HA ALA 33 -1.685 10.872 -0.606 246 1HB ALA 33 1HB ALA 33 -2.330 11.844 -3.359 247 2HB ALA 33 2HB ALA 33 -2.104 10.194 -2.781 248 3HB ALA 33 3HB ALA 33 -0.714 11.265 -2.956 249 HA PRO 34 HA PRO 34 0.279 14.879 0.356 250 1HB PRO 34 2HB PRO 34 2.135 13.402 2.015 251 2HB PRO 34 1HB PRO 34 0.882 14.541 2.510 252 1HG PRO 34 2HG PRO 34 0.773 11.880 3.046 253 2HG PRO 34 1HG PRO 34 -0.674 12.887 2.829 254 1HD PRO 34 2HD PRO 34 0.671 11.054 0.868 255 2HD PRO 34 1HD PRO 34 -1.058 11.250 1.222 256 H ASP 35 H ASP 35 2.294 11.937 0.055 257 HA ASP 35 HA ASP 35 4.402 13.448 -1.270 258 1HB ASP 35 2HB ASP 35 4.799 11.703 0.548 259 2HB ASP 35 1HB ASP 35 4.368 10.494 -0.653 260 H CYS 36 H CYS 36 5.422 12.478 -3.239 261 HA CYS 36 HA CYS 36 3.566 12.319 -5.346 262 1HB CYS 36 2HB CYS 36 5.502 11.895 -6.768 263 2HB CYS 36 1HB CYS 36 5.858 13.166 -5.603 264 H ARG 37 H ARG 37 5.017 9.799 -3.401 265 HA ARG 37 HA ARG 37 4.259 7.761 -5.333 266 1HB ARG 37 2HB ARG 37 5.396 6.173 -3.875 267 2HB ARG 37 1HB ARG 37 6.429 7.536 -4.274 268 1HG ARG 37 2HG ARG 37 6.130 8.485 -2.100 269 2HG ARG 37 1HG ARG 37 4.904 7.280 -1.693 270 1HD ARG 37 2HD ARG 37 6.637 5.515 -1.996 271 2HD ARG 37 1HD ARG 37 7.834 6.792 -2.207 272 HE ARG 37 HE ARG 37 7.908 6.997 0.049 273 1HH1 ARG 37 1HH1 ARG 37 4.832 5.500 -0.725 274 2HH1 ARG 37 2HH1 ARG 37 4.369 5.332 0.933 275 1HH2 ARG 37 1HH2 ARG 37 7.277 6.770 2.213 276 2HH2 ARG 37 2HH2 ARG 37 5.748 6.052 2.592 277 H PHE 38 H PHE 38 2.447 9.379 -3.200 278 HA PHE 38 HA PHE 38 1.039 7.008 -2.181 279 1HB PHE 38 2HB PHE 38 1.044 9.893 -1.392 280 2HB PHE 38 1HB PHE 38 -0.378 8.924 -1.043 281 HD1 PHE 38 HD1 PHE 38 3.298 9.085 -0.466 282 HD2 PHE 38 HD2 PHE 38 -0.456 7.566 0.837 283 HE1 PHE 38 HE1 PHE 38 4.347 8.272 1.600 284 HE2 PHE 38 HE2 PHE 38 0.589 6.747 2.904 285 HZ PHE 38 HZ PHE 38 2.994 7.102 3.291 286 H LEU 39 H LEU 39 -1.360 7.005 -2.291 287 HA LEU 39 HA LEU 39 -2.293 8.142 -4.855 288 1HB LEU 39 1HB LEU 39 -2.873 5.514 -3.528 289 2HB LEU 39 2HB LEU 39 -3.971 6.183 -4.718 290 HG LEU 39 HG LEU 39 -1.059 5.701 -5.325 291 1HD1 LEU 39 1HD1 LEU 39 -3.401 3.824 -5.542 292 2HD1 LEU 39 2HD1 LEU 39 -1.863 3.558 -4.720 293 3HD1 LEU 39 3HD1 LEU 39 -1.922 3.629 -6.481 294 1HD2 LEU 39 1HD2 LEU 39 -2.391 7.224 -6.790 295 2HD2 LEU 39 2HD2 LEU 39 -3.463 5.866 -7.135 296 3HD2 LEU 39 3HD2 LEU 39 -1.767 5.793 -7.612 297 H THR 40 H THR 40 -4.159 9.268 -4.934 298 HA THR 40 HA THR 40 -5.505 9.861 -2.408 299 HB THR 40 HB THR 40 -5.922 11.093 -5.152 300 HG1 THR 40 HG1 THR 40 -4.392 12.459 -4.672 301 1HG2 THR 40 1HG2 THR 40 -7.742 11.323 -3.306 302 2HG2 THR 40 2HG2 THR 40 -7.218 12.740 -4.217 303 3HG2 THR 40 3HG2 THR 40 -6.598 12.460 -2.588 304 H ILE 41 H ILE 41 -7.073 8.516 -1.850 305 HA ILE 41 HA ILE 41 -8.763 7.326 -3.959 306 HB ILE 41 HB ILE 41 -8.221 6.226 -1.185 307 1HG1 ILE 41 1HG1 ILE 41 -7.086 5.277 -3.833 308 2HG1 ILE 41 2HG1 ILE 41 -6.206 6.290 -2.696 309 1HG2 ILE 41 1HG2 ILE 41 -9.521 4.939 -3.595 310 2HG2 ILE 41 2HG2 ILE 41 -10.363 5.510 -2.154 311 3HG2 ILE 41 3HG2 ILE 41 -9.227 4.166 -2.036 312 1HD1 ILE 41 1HD1 ILE 41 -6.499 4.462 -1.002 313 2HD1 ILE 41 2HD1 ILE 41 -5.458 4.078 -2.374 314 3HD1 ILE 41 3HD1 ILE 41 -7.106 3.454 -2.316 315 H HIS 42 H HIS 42 -11.008 7.105 -3.583 316 HA HIS 42 HA HIS 42 -12.097 8.889 -1.506 317 1HB HIS 42 2HB HIS 42 -13.113 8.334 -4.298 318 2HB HIS 42 1HB HIS 42 -14.076 9.143 -3.067 319 HD1 HIS 42 HD1 HIS 42 -12.541 11.300 -1.968 320 HD2 HIS 42 HD2 HIS 42 -11.947 10.143 -5.915 321 HE1 HIS 42 HE1 HIS 42 -11.493 13.286 -3.100 322 HE2 HIS 42 HE2 HIS 42 -11.246 12.600 -5.511 323 H ARG 43 H ARG 43 -14.123 8.286 -0.584 324 HA ARG 43 HA ARG 43 -14.274 5.585 0.179 325 1HB ARG 43 2HB ARG 43 -15.035 7.501 1.558 326 2HB ARG 43 1HB ARG 43 -16.379 7.742 0.453 327 1HG ARG 43 1HG ARG 43 -17.213 5.493 1.026 328 2HG ARG 43 2HG ARG 43 -15.898 5.330 2.189 329 1HD ARG 43 2HD ARG 43 -17.921 5.998 3.331 330 2HD ARG 43 1HD ARG 43 -16.738 7.304 3.391 331 HE ARG 43 HE ARG 43 -18.394 7.714 1.173 332 1HH1 ARG 43 1HH1 ARG 43 -18.628 7.757 4.673 333 2HH1 ARG 43 2HH1 ARG 43 -19.912 8.916 4.687 334 1HH2 ARG 43 1HH2 ARG 43 -20.079 9.233 1.213 335 2HH2 ARG 43 2HH2 ARG 43 -20.734 9.752 2.730 336 H GLY 44 H GLY 44 -14.987 3.911 -0.959 337 1HA GLY 44 2HA GLY 44 -16.808 2.722 -1.944 338 2HA GLY 44 1HA GLY 44 -17.418 4.239 -2.577 339 H GLN 45 H GLN 45 -14.159 4.286 -3.194 340 HA GLN 45 HA GLN 45 -14.628 3.628 -5.972 341 1HB GLN 45 1HB GLN 45 -12.248 4.753 -4.514 342 2HB GLN 45 2HB GLN 45 -12.168 4.288 -6.207 343 1HG GLN 45 1HG GLN 45 -14.145 5.846 -6.567 344 2HG GLN 45 2HG GLN 45 -13.809 6.457 -4.946 345 1HE2 GLN 45 1HE2 GLN 45 -13.312 7.057 -8.099 346 2HE2 GLN 45 2HE2 GLN 45 -11.827 7.938 -8.018 347 H VAL 46 H VAL 46 -13.424 2.179 -7.216 348 HA VAL 46 HA VAL 46 -12.765 -0.300 -5.838 349 HB VAL 46 HB VAL 46 -12.766 0.250 -8.816 350 1HG1 VAL 46 1HG1 VAL 46 -13.496 -2.417 -7.974 351 2HG1 VAL 46 2HG1 VAL 46 -11.893 -1.964 -7.396 352 3HG1 VAL 46 3HG1 VAL 46 -12.262 -1.890 -9.119 353 1HG2 VAL 46 1HG2 VAL 46 -14.987 0.226 -7.054 354 2HG2 VAL 46 2HG2 VAL 46 -15.054 -1.239 -8.034 355 3HG2 VAL 46 3HG2 VAL 46 -14.978 0.341 -8.815 356 H VAL 47 H VAL 47 -10.714 -0.608 -5.154 357 HA VAL 47 HA VAL 47 -8.526 0.550 -6.765 358 HB VAL 47 HB VAL 47 -8.302 -0.139 -3.837 359 1HG1 VAL 47 1HG1 VAL 47 -6.306 1.085 -3.851 360 2HG1 VAL 47 2HG1 VAL 47 -6.688 1.864 -5.386 361 3HG1 VAL 47 3HG1 VAL 47 -6.260 0.152 -5.346 362 1HG2 VAL 47 1HG2 VAL 47 -8.364 2.605 -3.939 363 2HG2 VAL 47 2HG2 VAL 47 -9.683 1.564 -3.401 364 3HG2 VAL 47 3HG2 VAL 47 -9.639 2.143 -5.066 365 H TYR 48 H TYR 48 -6.971 -0.755 -7.517 366 HA TYR 48 HA TYR 48 -7.157 -3.605 -6.864 367 1HB TYR 48 2HB TYR 48 -6.003 -2.179 -9.260 368 2HB TYR 48 1HB TYR 48 -5.740 -3.888 -8.957 369 HD1 TYR 48 HD1 TYR 48 -7.211 -5.435 -9.837 370 HD2 TYR 48 HD2 TYR 48 -8.526 -1.413 -9.370 371 HE1 TYR 48 HE1 TYR 48 -9.292 -5.981 -11.025 372 HE2 TYR 48 HE2 TYR 48 -10.611 -1.955 -10.551 373 HH TYR 48 HH TYR 48 -11.977 -3.846 -11.110 374 H VAL 49 H VAL 49 -5.567 -4.632 -5.830 375 HA VAL 49 HA VAL 49 -3.186 -3.111 -5.063 376 HB VAL 49 HB VAL 49 -4.045 -5.831 -4.051 377 1HG1 VAL 49 1HG1 VAL 49 -2.669 -4.879 -2.029 378 2HG1 VAL 49 2HG1 VAL 49 -1.927 -3.882 -3.279 379 3HG1 VAL 49 3HG1 VAL 49 -1.853 -5.639 -3.396 380 1HG2 VAL 49 1HG2 VAL 49 -5.746 -4.799 -3.042 381 2HG2 VAL 49 2HG2 VAL 49 -5.139 -3.203 -3.483 382 3HG2 VAL 49 3HG2 VAL 49 -4.537 -4.006 -2.034 383 H PHE 50 H PHE 50 -1.263 -3.458 -5.990 384 HA PHE 50 HA PHE 50 -0.932 -5.836 -7.681 385 1HB PHE 50 2HB PHE 50 0.178 -3.054 -7.862 386 2HB PHE 50 1HB PHE 50 1.010 -4.391 -8.647 387 HD1 PHE 50 HD1 PHE 50 -2.463 -2.985 -8.408 388 HD2 PHE 50 HD2 PHE 50 0.529 -4.796 -10.837 389 HE1 PHE 50 HE1 PHE 50 -3.935 -2.787 -10.367 390 HE2 PHE 50 HE2 PHE 50 -0.943 -4.600 -12.799 391 HZ PHE 50 HZ PHE 50 -3.177 -3.595 -12.565 392 H SER 51 H SER 51 0.501 -4.059 -5.011 393 HA SER 51 HA SER 51 2.307 -6.313 -4.567 394 1HB SER 51 2HB SER 51 4.228 -4.793 -4.151 395 2HB SER 51 1HB SER 51 3.692 -4.776 -5.828 396 HG SER 51 HG SER 51 4.100 -2.678 -4.693 397 H LYS 52 H LYS 52 2.868 -6.711 -2.474 398 HA LYS 52 HA LYS 52 1.704 -4.925 -0.420 399 1HB LYS 52 2HB LYS 52 2.071 -7.894 -0.028 400 2HB LYS 52 1HB LYS 52 1.128 -6.784 0.940 401 1HG LYS 52 1HG LYS 52 -0.493 -6.551 -0.853 402 2HG LYS 52 2HG LYS 52 0.472 -7.610 -1.880 403 1HD LYS 52 1HD LYS 52 0.115 -9.444 -0.343 404 2HD LYS 52 2HD LYS 52 -0.763 -8.380 0.759 405 1HE LYS 52 1HE LYS 52 -1.574 -9.145 -2.044 406 2HE LYS 52 2HE LYS 52 -2.316 -9.681 -0.542 407 1HZ LYS 52 1HZ LYS 52 -3.690 -7.979 -0.757 408 2HZ LYS 52 2HZ LYS 52 -2.783 -7.296 -2.010 409 3HZ LYS 52 3HZ LYS 52 -2.389 -6.956 -0.402 410 H LEU 53 H LEU 53 3.341 -3.862 0.515 411 HA LEU 53 HA LEU 53 6.037 -4.771 0.472 412 1HB LEU 53 1HB LEU 53 4.866 -2.582 2.184 413 2HB LEU 53 2HB LEU 53 6.549 -2.779 1.731 414 HG LEU 53 HG LEU 53 4.366 -2.253 -0.284 415 1HD1 LEU 53 1HD2 LEU 53 6.220 -0.105 0.578 416 2HD1 LEU 53 2HD2 LEU 53 4.858 -0.495 1.630 417 3HD1 LEU 53 3HD2 LEU 53 4.572 -0.003 -0.040 418 1HD2 LEU 53 1HD1 LEU 53 7.167 -2.846 -0.469 419 2HD2 LEU 53 2HD1 LEU 53 6.845 -1.232 -1.105 420 3HD2 LEU 53 3HD1 LEU 53 5.981 -2.626 -1.757 421 H LYS 54 H LYS 54 7.429 -5.281 2.198 422 HA LYS 54 HA LYS 54 6.091 -6.398 4.586 423 1HB LYS 54 2HB LYS 54 8.608 -7.364 3.201 424 2HB LYS 54 1HB LYS 54 7.972 -8.022 4.701 425 1HG LYS 54 2HG LYS 54 5.917 -8.683 3.501 426 2HG LYS 54 1HG LYS 54 6.656 -8.123 1.999 427 1HD LYS 54 2HD LYS 54 7.906 -10.211 3.779 428 2HD LYS 54 1HD LYS 54 6.826 -10.603 2.441 429 1HE LYS 54 2HE LYS 54 8.356 -9.501 0.880 430 2HE LYS 54 1HE LYS 54 9.437 -9.106 2.217 431 1HZ LYS 54 1HZ LYS 54 10.175 -11.070 1.018 432 2HZ LYS 54 2HZ LYS 54 8.710 -11.851 1.343 433 3HZ LYS 54 3HZ LYS 54 9.762 -11.463 2.611 434 H GLY 55 H GLY 55 9.200 -6.816 5.358 435 1HA GLY 55 1HA GLY 55 10.751 -5.714 6.624 436 2HA GLY 55 2HA GLY 55 10.249 -4.242 5.809 437 H ARG 56 H ARG 56 10.091 -2.812 7.409 438 HA ARG 56 HA ARG 56 8.844 -3.506 9.936 439 1HB ARG 56 2HB ARG 56 10.117 -0.952 8.934 440 2HB ARG 56 1HB ARG 56 9.368 -1.099 10.515 441 1HG ARG 56 1HG ARG 56 11.597 -1.414 10.992 442 2HG ARG 56 2HG ARG 56 11.010 -3.070 10.852 443 1HD ARG 56 2HD ARG 56 11.851 -3.179 8.558 444 2HD ARG 56 1HD ARG 56 12.428 -1.518 8.687 445 HE ARG 56 HE ARG 56 13.552 -3.009 10.771 446 1HH1 ARG 56 1HH1 ARG 56 13.750 -2.799 7.275 447 2HH1 ARG 56 2HH1 ARG 56 15.385 -3.361 7.220 448 1HH2 ARG 56 1HH2 ARG 56 15.698 -3.745 10.677 449 2HH2 ARG 56 2HH2 ARG 56 16.488 -3.897 9.144 450 H GLY 57 H GLY 57 7.692 -2.712 6.988 451 1HA GLY 57 1HA GLY 57 5.269 -1.479 8.127 452 2HA GLY 57 2HA GLY 57 5.982 -0.860 6.644 453 H ARG 58 H ARG 58 5.059 -4.033 7.981 454 HA ARG 58 HA ARG 58 4.451 -5.110 5.426 455 1HB ARG 58 1HB ARG 58 3.824 -7.111 6.541 456 2HB ARG 58 2HB ARG 58 5.205 -6.458 7.390 457 1HG ARG 58 2HG ARG 58 2.489 -5.859 8.403 458 2HG ARG 58 1HG ARG 58 3.190 -7.443 8.700 459 1HD ARG 58 2HD ARG 58 3.871 -6.326 10.577 460 2HD ARG 58 1HD ARG 58 5.242 -6.027 9.512 461 HE ARG 58 HE ARG 58 3.428 -3.941 9.166 462 1HH1 ARG 58 1HH1 ARG 58 5.508 -5.195 11.698 463 2HH1 ARG 58 2HH1 ARG 58 5.709 -3.651 12.455 464 1HH2 ARG 58 1HH2 ARG 58 3.704 -1.927 10.175 465 2HH2 ARG 58 2HH2 ARG 58 4.689 -1.803 11.594 466 H LEU 59 H LEU 59 2.725 -2.941 7.264 467 HA LEU 59 HA LEU 59 0.124 -3.952 6.392 468 1HB LEU 59 2HB LEU 59 -0.847 -2.209 7.828 469 2HB LEU 59 1HB LEU 59 0.210 -3.292 8.707 470 HG LEU 59 HG LEU 59 1.949 -1.293 8.149 471 1HD1 LEU 59 1HD1 LEU 59 0.833 0.843 8.542 472 2HD1 LEU 59 2HD1 LEU 59 -0.734 0.035 8.518 473 3HD1 LEU 59 3HD1 LEU 59 0.255 0.085 7.058 474 1HD2 LEU 59 1HD2 LEU 59 1.925 -1.942 10.331 475 2HD2 LEU 59 2HD2 LEU 59 0.165 -1.915 10.437 476 3HD2 LEU 59 3HD2 LEU 59 1.075 -0.404 10.484 477 H PHE 60 H PHE 60 2.502 -2.206 5.051 478 HA PHE 60 HA PHE 60 0.761 -0.216 3.791 479 1HB PHE 60 2HB PHE 60 3.759 -0.569 3.791 480 2HB PHE 60 1HB PHE 60 2.943 0.564 2.721 481 HD1 PHE 60 HD1 PHE 60 2.118 2.641 3.520 482 HD2 PHE 60 HD2 PHE 60 3.712 -0.214 6.244 483 HE1 PHE 60 HE1 PHE 60 2.181 4.358 5.278 484 HE2 PHE 60 HE2 PHE 60 3.771 1.498 8.009 485 HZ PHE 60 HZ PHE 60 3.005 3.788 7.527 486 H TRP 61 H TRP 61 -0.151 -0.589 1.923 487 HA TRP 61 HA TRP 61 0.934 -2.704 0.185 488 1HB TRP 61 1HB TRP 61 -1.879 -1.747 0.693 489 2HB TRP 61 2HB TRP 61 -1.479 -2.640 -0.767 490 HD1 TRP 61 HD1 TRP 61 0.600 -4.219 1.767 491 HE1 TRP 61 HE1 TRP 61 -0.522 -6.307 2.749 492 HE3 TRP 61 HE3 TRP 61 -4.189 -3.432 0.131 493 HZ2 TRP 61 HZ2 TRP 61 -3.086 -7.466 2.844 494 HZ3 TRP 61 HZ3 TRP 61 -5.913 -5.083 0.721 495 HH2 TRP 61 HH2 TRP 61 -5.373 -7.057 2.048 496 H GLY 62 H GLY 62 -0.064 -2.273 -2.192 497 1HA GLY 62 2HA GLY 62 -0.050 0.499 -2.993 498 2HA GLY 62 1HA GLY 62 1.456 -0.366 -3.418 499 H GLY 63 H GLY 63 -0.183 0.754 -5.358 500 1HA GLY 63 2HA GLY 63 -0.389 -1.140 -7.291 501 2HA GLY 63 1HA GLY 63 -1.934 -1.252 -6.461 502 H SER 64 H SER 64 -3.234 -0.484 -8.058 503 HA SER 64 HA SER 64 -2.906 2.361 -8.725 504 1HB SER 64 1HB SER 64 -3.630 1.926 -11.028 505 2HB SER 64 2HB SER 64 -2.160 1.024 -10.659 506 HG SER 64 HG SER 64 -4.115 -0.050 -11.728 507 H VAL 65 H VAL 65 -4.706 3.553 -8.516 508 HA VAL 65 HA VAL 65 -7.119 2.191 -7.618 509 HB VAL 65 HB VAL 65 -6.358 3.974 -6.183 510 1HG1 VAL 65 1HG1 VAL 65 -5.874 5.369 -8.649 511 2HG1 VAL 65 2HG1 VAL 65 -5.295 5.730 -7.023 512 3HG1 VAL 65 3HG1 VAL 65 -6.854 6.355 -7.563 513 1HG2 VAL 65 1HG2 VAL 65 -8.821 4.921 -7.642 514 2HG2 VAL 65 2HG2 VAL 65 -8.366 5.291 -5.978 515 3HG2 VAL 65 3HG2 VAL 65 -8.793 3.640 -6.428 516 H GLN 66 H GLN 66 -8.886 1.940 -8.783 517 HA GLN 66 HA GLN 66 -9.040 3.263 -11.400 518 1HB GLN 66 1HB GLN 66 -9.124 0.815 -11.451 519 2HB GLN 66 2HB GLN 66 -10.501 0.823 -10.357 520 1HG GLN 66 2HG GLN 66 -11.925 1.742 -11.992 521 2HG GLN 66 1HG GLN 66 -10.574 2.167 -13.040 522 1HE2 GLN 66 1HE2 GLN 66 -10.402 0.948 -14.728 523 2HE2 GLN 66 2HE2 GLN 66 -10.823 -0.728 -14.844 524 H GLY 67 H GLY 67 -10.948 4.258 -12.106 525 1HA GLY 67 1HA GLY 67 -13.391 4.519 -10.975 526 2HA GLY 67 2HA GLY 67 -12.409 5.620 -10.020 527 H ASP 68 H ASP 68 -10.789 5.899 -12.679 528 HA ASP 68 HA ASP 68 -12.627 7.685 -14.097 529 1HB ASP 68 2HB ASP 68 -9.855 8.391 -13.128 530 2HB ASP 68 1HB ASP 68 -10.733 9.334 -14.327 531 H TYR 69 H TYR 69 -9.522 6.102 -14.065 532 HA TYR 69 HA TYR 69 -8.183 5.156 -15.622 533 1HB TYR 69 2HB TYR 69 -10.230 3.707 -15.800 534 2HB TYR 69 1HB TYR 69 -10.732 4.674 -17.179 535 HD1 TYR 69 HD1 TYR 69 -10.370 3.678 -19.217 536 HD2 TYR 69 HD2 TYR 69 -7.586 2.927 -16.085 537 HE1 TYR 69 HE1 TYR 69 -9.084 2.213 -20.715 538 HE2 TYR 69 HE2 TYR 69 -6.292 1.466 -17.579 539 HH TYR 69 HH TYR 69 -6.652 1.416 -20.870 540 H TYR 70 H TYR 70 -7.116 7.086 -16.148 541 HA TYR 70 HA TYR 70 -7.740 8.109 -18.837 542 1HB TYR 70 2HB TYR 70 -7.006 9.623 -16.356 543 2HB TYR 70 1HB TYR 70 -6.508 10.249 -17.922 544 HD1 TYR 70 HD1 TYR 70 -7.924 11.657 -19.073 545 HD2 TYR 70 HD2 TYR 70 -9.581 9.060 -16.138 546 HE1 TYR 70 HE1 TYR 70 -10.113 12.739 -19.358 547 HE2 TYR 70 HE2 TYR 70 -11.776 10.131 -16.420 548 HH TYR 70 HH TYR 70 -12.423 12.771 -17.386 549 H GLY 71 H GLY 71 -5.536 6.572 -16.839 550 1HA GLY 71 1HA GLY 71 -3.529 5.585 -17.550 551 2HA GLY 71 2HA GLY 71 -3.478 6.712 -18.898 552 H ASP 72 H ASP 72 -4.143 8.182 -15.905 553 HA ASP 72 HA ASP 72 -1.318 8.962 -15.589 554 1HB ASP 72 2HB ASP 72 -3.779 10.697 -15.278 555 2HB ASP 72 1HB ASP 72 -2.149 11.192 -14.829 556 H LEU 73 H LEU 73 -4.130 7.707 -14.134 557 HA LEU 73 HA LEU 73 -2.957 8.068 -11.466 558 1HB LEU 73 2HB LEU 73 -5.347 7.527 -10.644 559 2HB LEU 73 1HB LEU 73 -4.976 9.133 -11.210 560 HG LEU 73 HG LEU 73 -7.230 8.279 -11.858 561 1HD1 LEU 73 1HD1 LEU 73 -6.115 8.678 -14.498 562 2HD1 LEU 73 2HD1 LEU 73 -5.473 9.819 -13.316 563 3HD1 LEU 73 3HD1 LEU 73 -7.215 9.691 -13.562 564 1HD2 LEU 73 1HD2 LEU 73 -6.212 5.927 -12.411 565 2HD2 LEU 73 2HD2 LEU 73 -6.031 6.632 -14.017 566 3HD2 LEU 73 3HD2 LEU 73 -7.626 6.539 -13.270 567 H ALA 74 H ALA 74 -3.383 5.818 -13.843 568 HA ALA 74 HA ALA 74 -3.067 3.628 -11.913 569 1HB ALA 74 1HB ALA 74 -5.428 3.818 -12.936 570 2HB ALA 74 2HB ALA 74 -4.634 2.243 -12.926 571 3HB ALA 74 3HB ALA 74 -4.672 3.201 -14.405 572 H ALA 75 H ALA 75 -1.106 5.096 -13.440 573 HA ALA 75 HA ALA 75 0.073 2.847 -14.900 574 1HB ALA 75 1HB ALA 75 0.605 5.441 -16.155 575 2HB ALA 75 2HB ALA 75 -1.068 4.897 -16.279 576 3HB ALA 75 3HB ALA 75 0.237 3.878 -16.886 577 H ARG 76 H ARG 76 0.371 5.053 -12.491 578 HA ARG 76 HA ARG 76 3.278 5.273 -12.775 579 1HB ARG 76 1HB ARG 76 3.145 7.104 -11.106 580 2HB ARG 76 2HB ARG 76 2.242 7.439 -12.576 581 1HG ARG 76 2HG ARG 76 0.162 6.853 -11.449 582 2HG ARG 76 1HG ARG 76 1.059 6.479 -9.976 583 1HD ARG 76 2HD ARG 76 1.817 8.794 -9.843 584 2HD ARG 76 1HD ARG 76 0.948 9.172 -11.330 585 HE ARG 76 HE ARG 76 -0.865 8.087 -9.495 586 1HH1 ARG 76 1HH1 ARG 76 1.059 10.992 -9.898 587 2HH1 ARG 76 2HH1 ARG 76 -0.043 11.983 -9.004 588 1HH2 ARG 76 1HH2 ARG 76 -2.297 9.403 -8.326 589 2HH2 ARG 76 2HH2 ARG 76 -1.941 11.085 -8.114 590 H LEU 77 H LEU 77 0.827 3.823 -10.997 591 HA LEU 77 HA LEU 77 0.697 2.453 -9.202 592 1HB LEU 77 1HB LEU 77 3.551 1.984 -10.020 593 2HB LEU 77 2HB LEU 77 2.821 1.123 -8.679 594 HG LEU 77 HG LEU 77 1.747 1.064 -11.506 595 1HD1 LEU 77 1HD1 LEU 77 4.075 -0.134 -10.553 596 2HD1 LEU 77 2HD1 LEU 77 3.194 -0.538 -12.026 597 3HD1 LEU 77 3HD1 LEU 77 2.857 -1.410 -10.531 598 1HD2 LEU 77 1HD2 LEU 77 0.921 -0.127 -8.920 599 2HD2 LEU 77 2HD2 LEU 77 0.804 -1.150 -10.353 600 3HD2 LEU 77 3HD2 LEU 77 -0.058 0.390 -10.296 601 H GLY 78 H GLY 78 0.224 3.501 -7.403 602 1HA GLY 78 2HA GLY 78 2.416 4.809 -5.916 603 2HA GLY 78 1HA GLY 78 0.722 5.259 -5.795 604 H TYR 79 H TYR 79 1.073 5.026 -3.463 605 HA TYR 79 HA TYR 79 0.691 2.234 -2.633 606 1HB TYR 79 2HB TYR 79 2.395 4.239 -1.128 607 2HB TYR 79 1HB TYR 79 2.052 2.586 -0.627 608 HD1 TYR 79 HD1 TYR 79 4.434 4.640 -2.097 609 HD2 TYR 79 HD2 TYR 79 2.734 0.763 -2.517 610 HE1 TYR 79 HE1 TYR 79 6.443 3.899 -3.294 611 HE2 TYR 79 HE2 TYR 79 4.736 0.008 -3.727 612 HH TYR 79 HH TYR 79 7.010 2.080 -4.993 613 H PHE 80 H PHE 80 -0.431 1.954 -0.631 614 HA PHE 80 HA PHE 80 -1.793 4.181 0.589 615 1HB PHE 80 2HB PHE 80 -4.082 3.203 0.136 616 2HB PHE 80 1HB PHE 80 -3.292 3.919 -1.265 617 HD1 PHE 80 HD1 PHE 80 -4.278 0.725 0.325 618 HD2 PHE 80 HD2 PHE 80 -2.740 2.613 -3.169 619 HE1 PHE 80 HE1 PHE 80 -4.627 -1.349 -0.948 620 HE2 PHE 80 HE2 PHE 80 -3.088 0.541 -4.443 621 HZ PHE 80 HZ PHE 80 -4.032 -1.442 -3.334 622 HA PRO 81 HA PRO 81 -1.596 1.323 4.010 623 1HB PRO 81 2HB PRO 81 -3.855 2.597 5.336 624 2HB PRO 81 1HB PRO 81 -2.143 2.656 5.759 625 1HG PRO 81 2HG PRO 81 -3.496 4.807 4.818 626 2HG PRO 81 1HG PRO 81 -1.767 4.552 4.520 627 1HD PRO 81 2HD PRO 81 -4.100 4.020 2.712 628 2HD PRO 81 1HD PRO 81 -2.527 4.757 2.334 629 H SER 82 H SER 82 -2.419 -0.642 4.473 630 HA SER 82 HA SER 82 -4.650 -1.659 3.066 631 1HB SER 82 2HB SER 82 -4.243 -3.731 4.283 632 2HB SER 82 1HB SER 82 -2.702 -3.021 3.806 633 HG SER 82 HG SER 82 -3.155 -3.796 6.130 634 H SER 83 H SER 83 -4.379 -0.037 6.074 635 HA SER 83 HA SER 83 -6.612 -1.070 7.440 636 1HB SER 83 1HB SER 83 -4.843 0.193 8.561 637 2HB SER 83 2HB SER 83 -5.307 1.646 7.677 638 HG SER 83 HG SER 83 -7.101 0.229 9.346 639 H ILE 84 H ILE 84 -6.434 1.219 4.801 640 HA ILE 84 HA ILE 84 -9.153 2.140 5.375 641 HB ILE 84 HB ILE 84 -8.895 3.756 3.579 642 1HG1 ILE 84 2HG1 ILE 84 -5.999 2.969 3.348 643 2HG1 ILE 84 1HG1 ILE 84 -7.225 2.255 2.297 644 1HG2 ILE 84 1HG2 ILE 84 -7.443 5.224 4.728 645 2HG2 ILE 84 2HG2 ILE 84 -6.505 3.890 5.398 646 3HG2 ILE 84 3HG2 ILE 84 -8.157 4.170 5.949 647 1HD1 ILE 84 1HD1 ILE 84 -7.697 4.978 2.178 648 2HD1 ILE 84 2HD1 ILE 84 -6.922 3.977 0.950 649 3HD1 ILE 84 3HD1 ILE 84 -5.940 4.823 2.147 650 H VAL 85 H VAL 85 -7.836 -0.427 3.747 651 HA VAL 85 HA VAL 85 -10.057 -0.413 1.803 652 HB VAL 85 HB VAL 85 -8.788 -1.929 0.373 653 1HG1 VAL 85 1HG1 VAL 85 -7.124 0.487 1.055 654 2HG1 VAL 85 2HG1 VAL 85 -8.610 0.532 0.107 655 3HG1 VAL 85 3HG1 VAL 85 -7.208 -0.353 -0.495 656 1HG2 VAL 85 1HG2 VAL 85 -7.297 -3.206 1.504 657 2HG2 VAL 85 2HG2 VAL 85 -6.898 -1.922 2.647 658 3HG2 VAL 85 3HG2 VAL 85 -6.192 -1.913 1.030 659 H ARG 86 H ARG 86 -11.161 -2.339 1.379 660 HA ARG 86 HA ARG 86 -10.935 -4.407 3.466 661 1HB ARG 86 2HB ARG 86 -12.907 -2.926 3.802 662 2HB ARG 86 1HB ARG 86 -13.500 -3.412 2.219 663 1HG ARG 86 2HG ARG 86 -13.980 -5.569 2.919 664 2HG ARG 86 1HG ARG 86 -12.896 -5.464 4.310 665 1HD ARG 86 2HD ARG 86 -14.386 -3.841 5.344 666 2HD ARG 86 1HD ARG 86 -15.481 -3.953 3.966 667 HE ARG 86 HE ARG 86 -15.094 -6.524 5.005 668 1HH1 ARG 86 1HH1 ARG 86 -16.615 -3.504 5.936 669 2HH1 ARG 86 2HH1 ARG 86 -17.800 -4.275 6.933 670 1HH2 ARG 86 1HH2 ARG 86 -16.657 -7.518 6.317 671 2HH2 ARG 86 2HH2 ARG 86 -17.825 -6.546 7.149 672 H GLU 87 H GLU 87 -10.167 -6.167 2.497 673 HA GLU 87 HA GLU 87 -10.472 -6.639 -0.303 674 1HB GLU 87 1HB GLU 87 -9.237 -8.219 1.935 675 2HB GLU 87 2HB GLU 87 -9.370 -8.876 0.311 676 1HG GLU 87 2HG GLU 87 -7.957 -6.317 1.023 677 2HG GLU 87 1HG GLU 87 -7.173 -7.879 0.802 678 H ASP 88 H ASP 88 -11.926 -7.754 -1.359 679 HA ASP 88 HA ASP 88 -13.877 -9.337 0.170 680 1HB ASP 88 1HB ASP 88 -14.178 -7.846 -2.442 681 2HB ASP 88 2HB ASP 88 -15.386 -8.963 -1.819 682 H GLN 89 H GLN 89 -11.848 -9.260 -2.735 683 HA GLN 89 HA GLN 89 -11.878 -12.168 -2.764 684 1HB GLN 89 2HB GLN 89 -12.319 -12.197 -5.265 685 2HB GLN 89 1HB GLN 89 -13.703 -11.883 -4.213 686 1HG GLN 89 1HG GLN 89 -14.065 -10.173 -5.580 687 2HG GLN 89 2HG GLN 89 -12.776 -9.397 -4.661 688 1HE2 GLN 89 1HE2 GLN 89 -10.737 -9.239 -5.533 689 2HE2 GLN 89 2HE2 GLN 89 -10.418 -9.484 -7.208 690 H THR 90 H THR 90 -10.446 -13.079 -4.513 691 HA THR 90 HA THR 90 -8.081 -11.375 -4.958 692 HB THR 90 HB THR 90 -8.092 -14.339 -4.328 693 HG1 THR 90 HG1 THR 90 -7.436 -12.099 -2.734 694 1HG2 THR 90 1HG2 THR 90 -5.914 -14.462 -4.743 695 2HG2 THR 90 2HG2 THR 90 -5.593 -12.926 -3.936 696 3HG2 THR 90 3HG2 THR 90 -6.110 -12.945 -5.622 697 H LEU 91 H LEU 91 -7.385 -11.296 -7.020 698 HA LEU 91 HA LEU 91 -8.861 -12.778 -9.041 699 1HB LEU 91 1HB LEU 91 -6.660 -10.763 -9.489 700 2HB LEU 91 2HB LEU 91 -7.885 -11.277 -10.630 701 HG LEU 91 HG LEU 91 -8.483 -9.710 -8.116 702 1HD1 LEU 91 1HD2 LEU 91 -8.509 -7.737 -9.368 703 2HD1 LEU 91 2HD2 LEU 91 -8.449 -8.604 -10.903 704 3HD1 LEU 91 3HD2 LEU 91 -7.027 -8.557 -9.861 705 1HD2 LEU 91 1HD1 LEU 91 -10.573 -9.180 -9.515 706 2HD2 LEU 91 2HD1 LEU 91 -10.469 -10.762 -8.717 707 3HD2 LEU 91 3HD1 LEU 91 -10.128 -10.615 -10.451 708 H LYS 92 H LYS 92 -5.551 -12.330 -7.931 709 HA LYS 92 HA LYS 92 -4.845 -14.971 -8.935 710 1HB LYS 92 2HB LYS 92 -3.682 -12.442 -9.966 711 2HB LYS 92 1HB LYS 92 -2.545 -13.730 -9.598 712 1HG LYS 92 1HG LYS 92 -4.141 -15.206 -11.014 713 2HG LYS 92 2HG LYS 92 -4.729 -13.664 -11.636 714 1HD LYS 92 2HD LYS 92 -3.009 -14.512 -13.108 715 2HD LYS 92 1HD LYS 92 -2.405 -13.080 -12.289 716 1HE LYS 92 2HE LYS 92 -1.190 -14.487 -10.709 717 2HE LYS 92 1HE LYS 92 -1.816 -15.934 -11.501 718 1HZ LYS 92 1HZ LYS 92 0.225 -15.722 -12.486 719 2HZ LYS 92 2HZ LYS 92 0.215 -14.032 -12.441 720 3HZ LYS 92 3HZ LYS 92 -0.722 -14.851 -13.586 721 HA PRO 93 HA PRO 93 -2.967 -15.211 -4.882 722 1HB PRO 93 2HB PRO 93 -1.209 -17.215 -6.195 723 2HB PRO 93 1HB PRO 93 -2.179 -17.371 -4.740 724 1HG PRO 93 1HG PRO 93 -2.996 -18.543 -6.932 725 2HG PRO 93 2HG PRO 93 -4.171 -17.626 -5.961 726 1HD PRO 93 2HD PRO 93 -2.689 -16.769 -8.426 727 2HD PRO 93 1HD PRO 93 -4.424 -16.652 -8.083 728 H GLY 94 H GLY 94 -1.487 -13.933 -3.996 729 1HA GLY 94 1HA GLY 94 0.833 -13.084 -5.586 730 2HA GLY 94 2HA GLY 94 0.221 -12.286 -4.140 731 H LYS 95 H LYS 95 2.095 -14.936 -5.381 732 HA LYS 95 HA LYS 95 3.291 -15.298 -2.729 733 1HB LYS 95 2HB LYS 95 3.610 -17.745 -3.480 734 2HB LYS 95 1HB LYS 95 2.027 -17.232 -2.910 735 1HG LYS 95 2HG LYS 95 1.276 -16.970 -5.212 736 2HG LYS 95 1HG LYS 95 2.862 -17.478 -5.791 737 1HD LYS 95 2HD LYS 95 1.085 -19.189 -4.054 738 2HD LYS 95 1HD LYS 95 1.083 -19.258 -5.815 739 1HE LYS 95 2HE LYS 95 3.464 -19.799 -4.038 740 2HE LYS 95 1HE LYS 95 2.472 -21.027 -4.820 741 1HZ LYS 95 1HZ LYS 95 3.110 -19.743 -6.958 742 2HZ LYS 95 2HZ LYS 95 4.224 -20.813 -6.270 743 3HZ LYS 95 3HZ LYS 95 4.390 -19.148 -6.024 744 H VAL 96 H VAL 96 4.068 -13.830 -5.302 745 HA VAL 96 HA VAL 96 6.676 -15.133 -5.747 746 HB VAL 96 HB VAL 96 5.365 -13.012 -7.470 747 1HG1 VAL 96 1HG1 VAL 96 7.755 -14.770 -8.029 748 2HG1 VAL 96 2HG1 VAL 96 7.827 -13.064 -7.589 749 3HG1 VAL 96 3HG1 VAL 96 7.077 -13.551 -9.110 750 1HG2 VAL 96 1HG2 VAL 96 4.439 -15.528 -7.268 751 2HG2 VAL 96 2HG2 VAL 96 5.692 -15.767 -8.486 752 3HG2 VAL 96 3HG2 VAL 96 4.402 -14.598 -8.767 753 H ASP 97 H ASP 97 8.159 -14.332 -4.409 754 HA ASP 97 HA ASP 97 8.005 -11.654 -3.359 755 1HB ASP 97 2HB ASP 97 8.793 -13.636 -2.038 756 2HB ASP 97 1HB ASP 97 10.236 -13.672 -3.042 757 H VAL 98 H VAL 98 8.586 -9.979 -4.537 758 HA VAL 98 HA VAL 98 11.031 -10.144 -6.180 759 HB VAL 98 HB VAL 98 8.619 -8.414 -6.797 760 1HG1 VAL 98 1HG1 VAL 98 11.329 -8.505 -7.813 761 2HG1 VAL 98 2HG1 VAL 98 10.061 -7.309 -8.086 762 3HG1 VAL 98 3HG1 VAL 98 10.142 -8.755 -9.094 763 1HG2 VAL 98 1HG2 VAL 98 8.825 -11.162 -7.181 764 2HG2 VAL 98 2HG2 VAL 98 9.185 -10.457 -8.758 765 3HG2 VAL 98 3HG2 VAL 98 7.670 -10.067 -7.942 766 H LYS 99 H LYS 99 12.541 -8.612 -5.805 767 HA LYS 99 HA LYS 99 12.188 -6.808 -3.578 768 1HB LYS 99 1HB LYS 99 14.524 -7.184 -5.476 769 2HB LYS 99 2HB LYS 99 14.551 -6.158 -4.055 770 1HG LYS 99 2HG LYS 99 15.596 -8.035 -3.279 771 2HG LYS 99 1HG LYS 99 13.933 -8.352 -2.797 772 1HD LYS 99 2HD LYS 99 13.622 -9.781 -4.746 773 2HD LYS 99 1HD LYS 99 15.262 -9.422 -5.290 774 1HE LYS 99 2HE LYS 99 14.527 -10.803 -2.709 775 2HE LYS 99 1HE LYS 99 15.103 -11.606 -4.169 776 1HZ LYS 99 1HZ LYS 99 16.580 -9.914 -2.276 777 2HZ LYS 99 2HZ LYS 99 17.086 -9.969 -3.888 778 3HZ LYS 99 3HZ LYS 99 17.027 -11.390 -2.972 779 H THR 100 H THR 100 12.624 -4.472 -3.731 780 HA THR 100 HA THR 100 11.451 -3.332 -6.154 781 HB THR 100 HB THR 100 11.314 -1.229 -4.841 782 HG1 THR 100 HG1 THR 100 11.922 -1.246 -2.688 783 1HG2 THR 100 1HG2 THR 100 10.224 -3.247 -2.963 784 2HG2 THR 100 2HG2 THR 100 9.612 -3.237 -4.618 785 3HG2 THR 100 3HG2 THR 100 9.486 -1.787 -3.619 786 H ASP 101 H ASP 101 12.418 -1.487 -7.217 787 HA ASP 101 HA ASP 101 15.351 -1.581 -7.102 788 1HB ASP 101 1HB ASP 101 15.281 -0.672 -9.428 789 2HB ASP 101 2HB ASP 101 14.531 -2.254 -9.260 790 H LYS 102 H LYS 102 16.170 0.633 -8.292 791 HA LYS 102 HA LYS 102 15.932 2.631 -6.321 792 1HB LYS 102 1HB LYS 102 17.964 2.223 -7.642 793 2HB LYS 102 2HB LYS 102 17.117 2.773 -9.074 794 1HG LYS 102 1HG LYS 102 16.797 4.970 -7.904 795 2HG LYS 102 2HG LYS 102 17.957 4.393 -6.709 796 1HD LYS 102 2HD LYS 102 19.678 4.816 -8.061 797 2HD LYS 102 1HD LYS 102 18.905 3.980 -9.411 798 1HE LYS 102 2HE LYS 102 17.584 5.964 -9.896 799 2HE LYS 102 1HE LYS 102 18.333 6.808 -8.541 800 1HZ LYS 102 1HZ LYS 102 20.297 5.733 -10.296 801 2HZ LYS 102 2HZ LYS 102 20.073 7.332 -9.792 802 3HZ LYS 102 3HZ LYS 102 19.232 6.745 -11.137 803 H TRP 103 H TRP 103 14.492 2.225 -9.503 804 HA TRP 103 HA TRP 103 13.340 4.884 -9.465 805 1HB TRP 103 2HB TRP 103 12.963 2.683 -11.509 806 2HB TRP 103 1HB TRP 103 12.549 4.381 -11.709 807 HD1 TRP 103 HD1 TRP 103 15.569 2.030 -11.617 808 HE1 TRP 103 HE1 TRP 103 17.608 3.249 -12.604 809 HE3 TRP 103 HE3 TRP 103 13.557 6.707 -12.131 810 HZ2 TRP 103 HZ2 TRP 103 18.278 5.839 -13.478 811 HZ3 TRP 103 HZ3 TRP 103 14.970 8.500 -13.052 812 HH2 TRP 103 HH2 TRP 103 17.282 8.073 -13.714 813 H ASP 104 H ASP 104 12.406 3.519 -7.316 814 HA ASP 104 HA ASP 104 9.578 3.066 -7.994 815 1HB ASP 104 2HB ASP 104 11.335 1.564 -6.063 816 2HB ASP 104 1HB ASP 104 9.589 1.586 -5.867 817 H PHE 105 H PHE 105 11.945 4.460 -5.853 818 HA PHE 105 HA PHE 105 9.805 5.949 -4.469 819 1HB PHE 105 2HB PHE 105 12.478 5.080 -3.323 820 2HB PHE 105 1HB PHE 105 11.295 6.076 -2.489 821 HD1 PHE 105 HD1 PHE 105 11.950 2.684 -3.807 822 HD2 PHE 105 HD2 PHE 105 9.452 5.117 -1.365 823 HE1 PHE 105 HE1 PHE 105 10.894 0.665 -2.883 824 HE2 PHE 105 HE2 PHE 105 8.390 3.099 -0.438 825 HZ PHE 105 HZ PHE 105 9.112 0.871 -1.196 826 H TYR 106 H TYR 106 10.986 6.747 -6.896 827 HA TYR 106 HA TYR 106 12.307 9.242 -6.076 828 1HB TYR 106 2HB TYR 106 13.947 7.467 -6.897 829 2HB TYR 106 1HB TYR 106 13.188 7.613 -8.471 830 HD1 TYR 106 HD1 TYR 106 14.848 8.471 -9.828 831 HD2 TYR 106 HD2 TYR 106 14.148 10.334 -6.057 832 HE1 TYR 106 HE1 TYR 106 16.433 10.253 -10.416 833 HE2 TYR 106 HE2 TYR 106 15.726 12.118 -6.645 834 HH TYR 106 HH TYR 106 17.626 12.483 -8.137 835 H CYS 107 H CYS 107 11.208 10.955 -6.879 836 HA CYS 107 HA CYS 107 9.593 10.545 -9.314 837 1HB CYS 107 1HB CYS 107 8.929 12.372 -7.008 838 2HB CYS 107 2HB CYS 107 7.943 12.071 -8.429 839 H GLN 108 HN GLN 108 12.297 11.628 -9.168 840 HA GLN 108 HA GLN 108 11.779 14.385 -10.026 841 1HB GLN 108 1HB GLN 108 14.301 13.096 -9.002 842 2HB GLN 108 2HB GLN 108 14.281 14.674 -9.772 843 1HG GLN 108 2HG GLN 108 12.640 15.406 -8.037 844 2HG GLN 108 1HG GLN 108 12.915 13.869 -7.219 845 1HE2 GLN 108 1HE2 GLN 108 13.750 17.021 -7.226 846 2HE2 GLN 108 2HE2 GLN 108 15.305 16.924 -6.482 Start of MODEL 12 1 1H MET 1 1HT MET 1 5.386 13.906 -5.673 2 2H MET 1 2HT MET 1 6.553 14.989 -5.102 3 3H MET 1 3HT MET 1 6.826 13.323 -5.002 4 HA MET 1 HA MET 1 6.895 13.140 -7.392 5 1HB MET 1 2HB MET 1 5.288 15.010 -7.753 6 2HB MET 1 1HB MET 1 6.555 16.149 -7.323 7 1HG MET 1 2HG MET 1 7.873 15.412 -9.245 8 2HG MET 1 1HG MET 1 6.605 14.267 -9.673 9 1HE MET 1 1HE MET 1 3.663 16.568 -9.637 10 2HE MET 1 2HE MET 1 4.258 14.913 -9.775 11 3HE MET 1 3HE MET 1 3.938 15.858 -11.229 12 H GLY 2 H GLY 2 8.951 12.500 -7.388 13 1HA GLY 2 2HA GLY 2 11.179 13.690 -8.034 14 2HA GLY 2 1HA GLY 2 11.036 14.319 -6.400 15 HA PRO 3 HA PRO 3 13.118 10.122 -6.268 16 1HB PRO 3 2HB PRO 3 15.704 11.035 -5.806 17 2HB PRO 3 1HB PRO 3 15.075 10.454 -7.340 18 1HG PRO 3 1HG PRO 3 15.854 13.100 -6.636 19 2HG PRO 3 2HG PRO 3 15.236 12.525 -8.182 20 1HD PRO 3 1HD PRO 3 13.870 13.995 -6.067 21 2HD PRO 3 2HD PRO 3 13.396 13.759 -7.755 22 H MET 4 H MET 4 13.021 9.148 -4.364 23 HA MET 4 HA MET 4 14.062 10.442 -1.968 24 1HB MET 4 2HB MET 4 11.968 9.978 -0.714 25 2HB MET 4 1HB MET 4 11.752 11.165 -1.990 26 1HG MET 4 1HG MET 4 10.857 9.311 -3.427 27 2HG MET 4 2HG MET 4 10.879 8.289 -1.991 28 1HE MET 4 1HE MET 4 8.400 10.314 0.356 29 2HE MET 4 2HE MET 4 10.158 10.187 0.287 30 3HE MET 4 3HE MET 4 9.164 8.733 0.182 31 HA PRO 5 HA PRO 5 15.518 6.396 -0.843 32 1HB PRO 5 1HB PRO 5 14.811 6.191 1.817 33 2HB PRO 5 2HB PRO 5 16.233 7.041 1.214 34 1HG PRO 5 2HG PRO 5 13.561 8.130 1.983 35 2HG PRO 5 1HG PRO 5 15.177 8.775 2.328 36 1HD PRO 5 1HD PRO 5 13.678 9.809 0.392 37 2HD PRO 5 2HD PRO 5 15.429 9.626 0.180 38 H LYS 6 H LYS 6 14.914 4.266 0.039 39 HA LYS 6 HA LYS 6 12.391 3.439 -0.972 40 1HB LYS 6 1HB LYS 6 14.554 1.953 0.519 41 2HB LYS 6 2HB LYS 6 13.090 1.182 -0.064 42 1HG LYS 6 1HG LYS 6 14.572 0.691 -1.744 43 2HG LYS 6 2HG LYS 6 13.807 2.150 -2.368 44 1HD LYS 6 1HD LYS 6 16.137 2.371 -2.751 45 2HD LYS 6 2HD LYS 6 15.729 3.453 -1.422 46 1HE LYS 6 1HE LYS 6 16.549 1.791 0.181 47 2HE LYS 6 2HE LYS 6 16.964 0.713 -1.152 48 1HZ LYS 6 1HZ LYS 6 18.728 2.316 -0.077 49 2HZ LYS 6 2HZ LYS 6 18.080 3.416 -1.188 50 3HZ LYS 6 3HZ LYS 6 18.752 1.962 -1.731 51 H LEU 7 H LEU 7 10.771 2.283 0.130 52 HA LEU 7 HA LEU 7 10.379 3.129 2.921 53 1HB LEU 7 1HB LEU 7 8.742 3.982 1.240 54 2HB LEU 7 2HB LEU 7 8.317 2.329 0.853 55 HG LEU 7 HG LEU 7 7.569 2.073 3.262 56 1HD1 LEU 7 1HD1 LEU 7 7.007 4.851 3.679 57 2HD1 LEU 7 2HD1 LEU 7 8.747 4.613 3.508 58 3HD1 LEU 7 3HD1 LEU 7 7.850 3.712 4.731 59 1HD2 LEU 7 1HD2 LEU 7 5.424 3.116 2.859 60 2HD2 LEU 7 2HD2 LEU 7 6.027 2.376 1.375 61 3HD2 LEU 7 3HD2 LEU 7 6.125 4.124 1.593 62 H ALA 8 H ALA 8 10.783 0.506 0.766 63 HA ALA 8 HA ALA 8 10.736 -1.411 2.937 64 1HB ALA 8 1HB ALA 8 9.280 -2.757 0.965 65 2HB ALA 8 2HB ALA 8 8.510 -1.176 1.118 66 3HB ALA 8 3HB ALA 8 8.695 -2.208 2.536 67 H ASP 9 H ASP 9 11.368 -3.649 2.050 68 HA ASP 9 HA ASP 9 13.525 -3.244 0.107 69 1HB ASP 9 1HB ASP 9 13.967 -4.210 2.423 70 2HB ASP 9 2HB ASP 9 13.114 -5.652 1.887 71 H ARG 10 H ARG 10 11.204 -5.839 0.935 72 HA ARG 10 HA ARG 10 10.884 -6.356 -1.949 73 1HB ARG 10 2HB ARG 10 11.046 -8.387 0.276 74 2HB ARG 10 1HB ARG 10 10.560 -8.764 -1.368 75 1HG ARG 10 1HG ARG 10 12.757 -8.001 -2.168 76 2HG ARG 10 2HG ARG 10 13.239 -7.703 -0.496 77 1HD ARG 10 1HD ARG 10 12.851 -10.076 0.013 78 2HD ARG 10 2HD ARG 10 12.436 -10.357 -1.677 79 HE ARG 10 HE ARG 10 14.966 -9.173 -1.580 80 1HH1 ARG 10 1HH1 ARG 10 13.446 -12.205 -0.688 81 2HH1 ARG 10 2HH1 ARG 10 14.898 -13.124 -0.891 82 1HH2 ARG 10 1HH2 ARG 10 16.861 -10.396 -1.840 83 2HH2 ARG 10 2HH2 ARG 10 16.831 -12.102 -1.543 84 H LYS 11 H LYS 11 8.863 -7.517 -2.482 85 HA LYS 11 HA LYS 11 6.641 -7.061 -0.635 86 1HB LYS 11 2HB LYS 11 5.363 -5.936 -2.447 87 2HB LYS 11 1HB LYS 11 6.780 -5.023 -1.942 88 1HG LYS 11 2HG LYS 11 7.954 -6.245 -3.905 89 2HG LYS 11 1HG LYS 11 6.310 -6.532 -4.476 90 1HD LYS 11 2HD LYS 11 5.872 -4.160 -4.508 91 2HD LYS 11 1HD LYS 11 7.466 -3.835 -3.821 92 1HE LYS 11 2HE LYS 11 8.537 -4.748 -5.789 93 2HE LYS 11 1HE LYS 11 6.970 -5.184 -6.472 94 1HZ LYS 11 1HZ LYS 11 6.401 -2.909 -6.711 95 2HZ LYS 11 2HZ LYS 11 7.956 -3.089 -7.353 96 3HZ LYS 11 3HZ LYS 11 7.747 -2.396 -5.825 97 H LEU 12 H LEU 12 4.570 -8.006 -1.504 98 HA LEU 12 HA LEU 12 5.122 -10.557 -2.840 99 1HB LEU 12 2HB LEU 12 2.802 -9.610 -1.158 100 2HB LEU 12 1HB LEU 12 2.714 -11.068 -2.115 101 HG LEU 12 HG LEU 12 3.144 -11.713 0.130 102 1HD1 LEU 12 1HD2 LEU 12 4.634 -12.630 -1.862 103 2HD1 LEU 12 2HD2 LEU 12 4.848 -13.173 -0.199 104 3HD1 LEU 12 3HD2 LEU 12 5.923 -11.948 -0.870 105 1HD2 LEU 12 1HD1 LEU 12 4.799 -10.853 1.546 106 2HD2 LEU 12 2HD1 LEU 12 4.042 -9.448 0.794 107 3HD2 LEU 12 3HD1 LEU 12 5.613 -10.015 0.225 108 H CYS 13 H CYS 13 4.444 -10.942 -4.841 109 HA CYS 13 HA CYS 13 2.371 -9.233 -6.040 110 1HB CYS 13 2HB CYS 13 5.000 -10.024 -7.313 111 2HB CYS 13 1HB CYS 13 3.671 -9.255 -8.168 112 H ALA 14 H ALA 14 1.674 -10.212 -8.227 113 HA ALA 14 HA ALA 14 0.934 -12.965 -7.753 114 1HB ALA 14 1HB ALA 14 -0.839 -11.748 -8.624 115 2HB ALA 14 2HB ALA 14 -0.228 -12.600 -10.042 116 3HB ALA 14 3HB ALA 14 0.181 -10.903 -9.789 117 H ASP 15 H ASP 15 3.075 -11.155 -9.845 118 HA ASP 15 HA ASP 15 4.332 -13.652 -10.706 119 1HB ASP 15 2HB ASP 15 3.379 -11.462 -12.555 120 2HB ASP 15 1HB ASP 15 4.603 -12.639 -13.025 121 H GLN 16 H GLN 16 6.431 -13.074 -11.965 122 HA GLN 16 HA GLN 16 8.133 -11.680 -10.196 123 1HB GLN 16 1HB GLN 16 8.734 -13.617 -11.707 124 2HB GLN 16 2HB GLN 16 8.752 -12.476 -13.044 125 1HG GLN 16 2HG GLN 16 10.541 -11.222 -11.958 126 2HG GLN 16 1HG GLN 16 10.520 -12.357 -10.609 127 1HE2 GLN 16 1HE2 GLN 16 12.112 -11.561 -13.336 128 2HE2 GLN 16 2HE2 GLN 16 12.815 -13.088 -13.736 129 H GLU 17 H GLU 17 6.196 -10.572 -12.791 130 HA GLU 17 HA GLU 17 7.818 -8.221 -13.338 131 1HB GLU 17 2HB GLU 17 5.077 -8.956 -14.381 132 2HB GLU 17 1HB GLU 17 6.093 -7.652 -14.974 133 1HG GLU 17 1HG GLU 17 7.765 -9.315 -15.675 134 2HG GLU 17 2HG GLU 17 6.674 -10.594 -15.146 135 H CYS 18 H CYS 18 5.208 -9.120 -11.269 136 HA CYS 18 HA CYS 18 3.854 -7.995 -9.829 137 1HB CYS 18 1HB CYS 18 6.047 -5.924 -10.090 138 2HB CYS 18 2HB CYS 18 4.685 -5.737 -8.992 139 H SER 19 H SER 19 3.534 -7.793 -12.719 140 HA SER 19 HA SER 19 2.302 -5.193 -13.137 141 1HB SER 19 2HB SER 19 3.719 -5.876 -14.910 142 2HB SER 19 1HB SER 19 2.985 -7.470 -14.968 143 HG SER 19 HG SER 19 2.157 -6.229 -16.640 144 H HIS 20 H HIS 20 1.421 -8.301 -12.166 145 HA HIS 20 HA HIS 20 -1.318 -8.092 -13.160 146 1HB HIS 20 2HB HIS 20 0.363 -10.275 -12.053 147 2HB HIS 20 1HB HIS 20 -1.361 -10.367 -11.739 148 HD1 HIS 20 HD1 HIS 20 -0.947 -12.604 -13.204 149 HD2 HIS 20 HD2 HIS 20 -0.841 -8.998 -15.259 150 HE1 HIS 20 HE1 HIS 20 -1.362 -13.197 -15.596 151 HE2 HIS 20 HE2 HIS 20 -1.160 -11.014 -16.852 152 HA PRO 21 HA PRO 21 -2.766 -6.824 -9.123 153 1HB PRO 21 1HB PRO 21 -5.450 -7.092 -9.576 154 2HB PRO 21 2HB PRO 21 -4.472 -5.778 -10.228 155 1HG PRO 21 1HG PRO 21 -5.735 -7.966 -11.634 156 2HG PRO 21 2HG PRO 21 -4.940 -6.531 -12.295 157 1HD PRO 21 1HD PRO 21 -3.905 -9.246 -11.989 158 2HD PRO 21 2HD PRO 21 -3.266 -7.899 -12.953 159 H ILE 22 H ILE 22 -2.720 -7.957 -7.271 160 HA ILE 22 HA ILE 22 -3.209 -10.743 -7.165 161 HB ILE 22 HB ILE 22 -3.033 -8.836 -4.818 162 1HG1 ILE 22 1HG1 ILE 22 -0.810 -10.501 -6.026 163 2HG1 ILE 22 2HG1 ILE 22 -1.068 -8.804 -6.428 164 1HG2 ILE 22 1HG2 ILE 22 -3.032 -10.620 -3.433 165 2HG2 ILE 22 2HG2 ILE 22 -2.103 -11.618 -4.551 166 3HG2 ILE 22 3HG2 ILE 22 -3.843 -11.435 -4.772 167 1HD1 ILE 22 1HD1 ILE 22 -0.856 -8.360 -3.926 168 2HD1 ILE 22 2HD1 ILE 22 0.609 -8.789 -4.810 169 3HD1 ILE 22 3HD1 ILE 22 -0.208 -9.997 -3.819 170 H SER 23 H SER 23 -4.972 -8.110 -5.477 171 HA SER 23 HA SER 23 -7.457 -9.578 -5.967 172 1HB SER 23 2HB SER 23 -6.689 -10.315 -3.757 173 2HB SER 23 1HB SER 23 -6.584 -8.638 -3.223 174 HG SER 23 HG SER 23 -8.572 -9.906 -2.713 175 H MET 24 H MET 24 -9.276 -8.359 -6.074 176 HA MET 24 HA MET 24 -8.919 -5.489 -6.394 177 1HB MET 24 1HB MET 24 -10.110 -6.866 -8.106 178 2HB MET 24 2HB MET 24 -11.347 -7.217 -6.909 179 1HG MET 24 2HG MET 24 -10.734 -4.373 -7.441 180 2HG MET 24 1HG MET 24 -11.581 -5.277 -8.688 181 1HE MET 24 1HE MET 24 -13.449 -6.719 -8.300 182 2HE MET 24 2HE MET 24 -14.902 -6.005 -7.600 183 3HE MET 24 3HE MET 24 -13.944 -7.151 -6.663 184 H ALA 25 H ALA 25 -9.190 -4.238 -4.656 185 HA ALA 25 HA ALA 25 -11.073 -5.128 -2.571 186 1HB ALA 25 1HB ALA 25 -8.873 -5.108 -1.694 187 2HB ALA 25 2HB ALA 25 -9.692 -3.689 -1.043 188 3HB ALA 25 3HB ALA 25 -8.544 -3.513 -2.369 189 H VAL 26 H VAL 26 -12.445 -3.686 -1.592 190 HA VAL 26 HA VAL 26 -13.057 -1.275 -3.166 191 HB VAL 26 HB VAL 26 -14.725 -2.583 -0.994 192 1HG1 VAL 26 1HG2 VAL 26 -15.227 -0.338 -2.917 193 2HG1 VAL 26 2HG2 VAL 26 -15.512 -0.397 -1.178 194 3HG1 VAL 26 3HG2 VAL 26 -16.561 -1.297 -2.274 195 1HG2 VAL 26 1HG1 VAL 26 -16.108 -3.409 -2.915 196 2HG2 VAL 26 2HG1 VAL 26 -14.519 -4.163 -2.771 197 3HG2 VAL 26 3HG1 VAL 26 -14.799 -2.916 -3.988 198 H ALA 27 H ALA 27 -13.014 0.776 -2.299 199 HA ALA 27 HA ALA 27 -11.490 1.156 0.131 200 1HB ALA 27 1HB ALA 27 -10.973 3.183 -0.690 201 2HB ALA 27 2HB ALA 27 -12.636 3.529 -1.164 202 3HB ALA 27 3HB ALA 27 -11.615 2.536 -2.202 203 H LEU 28 H LEU 28 -12.194 1.944 2.061 204 HA LEU 28 HA LEU 28 -15.097 2.083 2.424 205 1HB LEU 28 2HB LEU 28 -12.867 1.731 4.422 206 2HB LEU 28 1HB LEU 28 -14.548 1.920 4.869 207 HG LEU 28 HG LEU 28 -14.923 -0.168 3.347 208 1HD1 LEU 28 1HD1 LEU 28 -12.345 -1.210 4.156 209 2HD1 LEU 28 2HD1 LEU 28 -12.192 0.110 2.995 210 3HD1 LEU 28 3HD1 LEU 28 -13.166 -1.306 2.598 211 1HD2 LEU 28 1HD2 LEU 28 -14.479 -1.635 5.279 212 2HD2 LEU 28 2HD2 LEU 28 -15.331 -0.155 5.724 213 3HD2 LEU 28 3HD2 LEU 28 -13.605 -0.313 6.053 214 H GLN 29 H GLN 29 -12.166 3.997 3.054 215 HA GLN 29 HA GLN 29 -13.917 6.333 3.378 216 1HB GLN 29 1HB GLN 29 -12.567 7.163 5.275 217 2HB GLN 29 2HB GLN 29 -13.410 5.668 5.648 218 1HG GLN 29 2HG GLN 29 -11.418 4.402 5.528 219 2HG GLN 29 1HG GLN 29 -10.530 5.733 4.795 220 1HE2 GLN 29 1HE2 GLN 29 -12.221 7.366 6.974 221 2HE2 GLN 29 2HE2 GLN 29 -11.190 7.247 8.346 222 H ASP 30 H ASP 30 -12.686 8.390 3.419 223 HA ASP 30 HA ASP 30 -11.147 8.607 1.037 224 1HB ASP 30 2HB ASP 30 -11.765 10.657 3.173 225 2HB ASP 30 1HB ASP 30 -11.046 11.019 1.608 226 H TYR 31 H TYR 31 -9.068 9.485 0.772 227 HA TYR 31 HA TYR 31 -7.250 9.646 3.017 228 1HB TYR 31 2HB TYR 31 -7.271 7.205 2.307 229 2HB TYR 31 1HB TYR 31 -6.642 7.729 0.752 230 HD1 TYR 31 HD1 TYR 31 -4.349 7.862 0.424 231 HD2 TYR 31 HD2 TYR 31 -5.850 7.907 4.408 232 HE1 TYR 31 HE1 TYR 31 -2.047 7.782 1.288 233 HE2 TYR 31 HE2 TYR 31 -3.554 7.822 5.279 234 HH TYR 31 HH TYR 31 -1.229 8.491 4.413 235 H MET 32 H MET 32 -5.918 11.332 2.664 236 HA MET 32 HA MET 32 -5.640 12.336 -0.079 237 1HB MET 32 2HB MET 32 -5.177 13.686 2.586 238 2HB MET 32 1HB MET 32 -4.822 14.430 1.034 239 1HG MET 32 2HG MET 32 -6.894 15.284 1.646 240 2HG MET 32 1HG MET 32 -7.264 14.042 0.461 241 1HE MET 32 1HE MET 32 -10.164 13.588 1.641 242 2HE MET 32 2HE MET 32 -9.353 15.153 1.687 243 3HE MET 32 3HE MET 32 -10.078 14.492 3.153 244 H ALA 33 H ALA 33 -3.729 12.310 -1.115 245 HA ALA 33 HA ALA 33 -1.415 11.250 0.359 246 1HB ALA 33 1HB ALA 33 -2.510 10.799 -2.284 247 2HB ALA 33 2HB ALA 33 -1.403 9.813 -1.329 248 3HB ALA 33 3HB ALA 33 -0.780 11.136 -2.315 249 HA PRO 34 HA PRO 34 0.455 15.306 -0.256 250 1HB PRO 34 2HB PRO 34 2.809 14.327 1.097 251 2HB PRO 34 1HB PRO 34 1.609 15.486 1.672 252 1HG PRO 34 2HG PRO 34 1.919 13.012 2.732 253 2HG PRO 34 1HG PRO 34 0.370 13.871 2.724 254 1HD PRO 34 2HD PRO 34 1.357 11.719 0.879 255 2HD PRO 34 1HD PRO 34 -0.237 11.903 1.643 256 H ASP 35 H ASP 35 2.828 12.645 -0.313 257 HA ASP 35 HA ASP 35 4.164 13.825 -2.621 258 1HB ASP 35 2HB ASP 35 5.343 12.924 -0.522 259 2HB ASP 35 1HB ASP 35 4.967 11.322 -1.138 260 H CYS 36 H CYS 36 4.900 12.308 -4.369 261 HA CYS 36 HA CYS 36 2.699 11.077 -5.642 262 1HB CYS 36 2HB CYS 36 4.559 12.067 -6.888 263 2HB CYS 36 1HB CYS 36 5.663 10.867 -6.229 264 H ARG 37 H ARG 37 5.049 9.884 -3.408 265 HA ARG 37 HA ARG 37 5.090 7.164 -4.042 266 1HB ARG 37 1HB ARG 37 6.548 8.531 -2.400 267 2HB ARG 37 2HB ARG 37 5.284 8.190 -1.225 268 1HG ARG 37 1HG ARG 37 5.615 5.809 -1.514 269 2HG ARG 37 2HG ARG 37 6.817 6.121 -2.757 270 1HD ARG 37 2HD ARG 37 7.936 5.589 -0.701 271 2HD ARG 37 1HD ARG 37 8.208 7.286 -1.096 272 HE ARG 37 HE ARG 37 5.976 7.147 0.546 273 1HH1 ARG 37 1HH1 ARG 37 9.413 6.500 0.776 274 2HH1 ARG 37 2HH1 ARG 37 9.489 6.864 2.466 275 1HH2 ARG 37 1HH2 ARG 37 6.098 7.624 2.775 276 2HH2 ARG 37 2HH2 ARG 37 7.615 7.500 3.596 277 H PHE 38 H PHE 38 2.630 9.071 -2.477 278 HA PHE 38 HA PHE 38 1.199 6.607 -1.717 279 1HB PHE 38 2HB PHE 38 0.898 9.430 -0.682 280 2HB PHE 38 1HB PHE 38 -0.211 8.126 -0.284 281 HD1 PHE 38 HD1 PHE 38 0.292 6.571 1.406 282 HD2 PHE 38 HD2 PHE 38 3.296 9.275 0.066 283 HE1 PHE 38 HE1 PHE 38 1.711 5.936 3.312 284 HE2 PHE 38 HE2 PHE 38 4.720 8.637 1.964 285 HZ PHE 38 HZ PHE 38 3.928 6.967 3.591 286 H LEU 39 H LEU 39 -1.233 6.776 -1.880 287 HA LEU 39 HA LEU 39 -1.987 8.109 -4.409 288 1HB LEU 39 1HB LEU 39 -2.771 5.457 -3.241 289 2HB LEU 39 2HB LEU 39 -3.782 6.246 -4.432 290 HG LEU 39 HG LEU 39 -0.884 5.656 -4.983 291 1HD1 LEU 39 1HD1 LEU 39 -1.438 3.483 -4.769 292 2HD1 LEU 39 2HD1 LEU 39 -2.227 3.727 -6.327 293 3HD1 LEU 39 3HD1 LEU 39 -3.169 3.810 -4.839 294 1HD2 LEU 39 1HD2 LEU 39 -2.014 7.240 -6.463 295 2HD2 LEU 39 2HD2 LEU 39 -3.294 6.059 -6.752 296 3HD2 LEU 39 3HD2 LEU 39 -1.650 5.733 -7.305 297 H THR 40 H THR 40 -3.796 9.355 -4.481 298 HA THR 40 HA THR 40 -5.185 9.878 -1.963 299 HB THR 40 HB THR 40 -5.492 11.251 -4.655 300 HG1 THR 40 HG1 THR 40 -3.427 11.580 -3.796 301 1HG2 THR 40 1HG2 THR 40 -6.800 12.854 -3.704 302 2HG2 THR 40 2HG2 THR 40 -6.151 12.587 -2.086 303 3HG2 THR 40 3HG2 THR 40 -7.318 11.453 -2.767 304 H ILE 41 H ILE 41 -6.748 8.483 -1.518 305 HA ILE 41 HA ILE 41 -8.392 7.418 -3.714 306 HB ILE 41 HB ILE 41 -7.985 6.279 -0.936 307 1HG1 ILE 41 1HG1 ILE 41 -6.757 5.414 -3.572 308 2HG1 ILE 41 2HG1 ILE 41 -5.913 6.317 -2.326 309 1HG2 ILE 41 1HG2 ILE 41 -9.930 5.722 -2.915 310 2HG2 ILE 41 2HG2 ILE 41 -9.621 4.844 -1.416 311 3HG2 ILE 41 3HG2 ILE 41 -8.804 4.364 -2.903 312 1HD1 ILE 41 1HD1 ILE 41 -6.137 4.447 -0.795 313 2HD1 ILE 41 2HD1 ILE 41 -5.329 3.960 -2.286 314 3HD1 ILE 41 3HD1 ILE 41 -7.021 3.538 -2.022 315 H HIS 42 H HIS 42 -10.574 7.539 -3.715 316 HA HIS 42 HA HIS 42 -11.847 9.105 -1.571 317 1HB HIS 42 2HB HIS 42 -12.698 8.628 -4.441 318 2HB HIS 42 1HB HIS 42 -13.723 9.404 -3.245 319 HD1 HIS 42 HD1 HIS 42 -13.333 11.134 -5.505 320 HD2 HIS 42 HD2 HIS 42 -10.432 10.946 -2.532 321 HE1 HIS 42 HE1 HIS 42 -12.017 13.267 -5.709 322 HE2 HIS 42 HE2 HIS 42 -10.264 13.129 -3.907 323 H ARG 43 H ARG 43 -13.505 8.214 -0.401 324 HA ARG 43 HA ARG 43 -13.658 5.454 -0.193 325 1HB ARG 43 2HB ARG 43 -15.384 5.855 1.432 326 2HB ARG 43 1HB ARG 43 -14.114 7.026 1.620 327 1HG ARG 43 1HG ARG 43 -15.504 8.678 0.449 328 2HG ARG 43 2HG ARG 43 -16.794 7.484 0.383 329 1HD ARG 43 2HD ARG 43 -15.537 8.545 2.902 330 2HD ARG 43 1HD ARG 43 -17.088 9.060 2.246 331 HE ARG 43 HE ARG 43 -16.574 6.730 3.799 332 1HH1 ARG 43 1HH1 ARG 43 -18.663 7.951 1.253 333 2HH1 ARG 43 2HH1 ARG 43 -19.920 6.807 1.583 334 1HH2 ARG 43 1HH2 ARG 43 -18.237 5.247 4.213 335 2HH2 ARG 43 2HH2 ARG 43 -19.680 5.280 3.255 336 H GLY 44 H GLY 44 -14.875 3.911 -1.047 337 1HA GLY 44 2HA GLY 44 -16.888 3.049 -2.000 338 2HA GLY 44 1HA GLY 44 -17.247 4.652 -2.620 339 H GLN 45 H GLN 45 -14.195 4.607 -3.425 340 HA GLN 45 HA GLN 45 -14.717 3.778 -6.131 341 1HB GLN 45 1HB GLN 45 -12.257 4.862 -4.771 342 2HB GLN 45 2HB GLN 45 -12.288 4.416 -6.470 343 1HG GLN 45 1HG GLN 45 -14.171 6.038 -6.765 344 2HG GLN 45 2HG GLN 45 -13.877 6.574 -5.109 345 1HE2 GLN 45 1HE2 GLN 45 -13.338 7.387 -8.177 346 2HE2 GLN 45 2HE2 GLN 45 -11.838 8.231 -8.029 347 H VAL 46 H VAL 46 -13.118 2.436 -7.334 348 HA VAL 46 HA VAL 46 -12.640 -0.060 -5.869 349 HB VAL 46 HB VAL 46 -12.274 0.279 -8.835 350 1HG1 VAL 46 1HG1 VAL 46 -13.231 -2.150 -8.624 351 2HG1 VAL 46 2HG1 VAL 46 -12.672 -1.992 -6.959 352 3HG1 VAL 46 3HG1 VAL 46 -11.532 -1.810 -8.293 353 1HG2 VAL 46 1HG2 VAL 46 -14.731 0.691 -7.471 354 2HG2 VAL 46 2HG2 VAL 46 -14.830 -0.830 -8.358 355 3HG2 VAL 46 3HG2 VAL 46 -14.415 0.661 -9.209 356 H VAL 47 H VAL 47 -10.636 -0.512 -5.182 357 HA VAL 47 HA VAL 47 -8.358 0.701 -6.612 358 HB VAL 47 HB VAL 47 -8.349 -0.012 -3.675 359 1HG1 VAL 47 1HG1 VAL 47 -6.513 1.988 -4.866 360 2HG1 VAL 47 2HG1 VAL 47 -6.228 0.292 -5.257 361 3HG1 VAL 47 3HG1 VAL 47 -6.237 0.819 -3.574 362 1HG2 VAL 47 1HG2 VAL 47 -9.638 2.198 -4.916 363 2HG2 VAL 47 2HG2 VAL 47 -8.224 2.797 -4.050 364 3HG2 VAL 47 3HG2 VAL 47 -9.448 1.857 -3.196 365 H TYR 48 H TYR 48 -7.072 -0.718 -7.574 366 HA TYR 48 HA TYR 48 -7.299 -3.532 -6.871 367 1HB TYR 48 2HB TYR 48 -5.968 -2.157 -9.210 368 2HB TYR 48 1HB TYR 48 -5.888 -3.887 -8.934 369 HD1 TYR 48 HD1 TYR 48 -8.472 -1.177 -9.276 370 HD2 TYR 48 HD2 TYR 48 -7.413 -5.231 -10.005 371 HE1 TYR 48 HE1 TYR 48 -10.561 -1.493 -10.531 372 HE2 TYR 48 HE2 TYR 48 -9.498 -5.555 -11.262 373 HH TYR 48 HH TYR 48 -11.904 -4.314 -11.191 374 H VAL 49 H VAL 49 -5.853 -4.590 -5.699 375 HA VAL 49 HA VAL 49 -3.438 -3.227 -4.820 376 HB VAL 49 HB VAL 49 -4.434 -5.965 -3.995 377 1HG1 VAL 49 1HG1 VAL 49 -2.606 -6.102 -2.743 378 2HG1 VAL 49 2HG1 VAL 49 -2.989 -4.564 -1.968 379 3HG1 VAL 49 3HG1 VAL 49 -2.030 -4.591 -3.449 380 1HG2 VAL 49 1HG2 VAL 49 -5.223 -3.243 -3.102 381 2HG2 VAL 49 2HG2 VAL 49 -5.073 -4.506 -1.880 382 3HG2 VAL 49 3HG2 VAL 49 -6.185 -4.714 -3.232 383 H PHE 50 H PHE 50 -1.449 -3.636 -5.576 384 HA PHE 50 HA PHE 50 -1.106 -5.910 -7.407 385 1HB PHE 50 2HB PHE 50 0.116 -3.162 -7.392 386 2HB PHE 50 1HB PHE 50 0.881 -4.489 -8.256 387 HD1 PHE 50 HD1 PHE 50 -2.423 -2.748 -7.994 388 HD2 PHE 50 HD2 PHE 50 0.339 -4.861 -10.449 389 HE1 PHE 50 HE1 PHE 50 -3.841 -2.317 -9.955 390 HE2 PHE 50 HE2 PHE 50 -1.078 -4.432 -12.413 391 HZ PHE 50 HZ PHE 50 -3.169 -3.158 -12.168 392 H SER 51 H SER 51 0.344 -4.203 -4.662 393 HA SER 51 HA SER 51 2.022 -6.546 -4.192 394 1HB SER 51 2HB SER 51 4.032 -5.139 -3.814 395 2HB SER 51 1HB SER 51 3.482 -5.111 -5.485 396 HG SER 51 HG SER 51 2.395 -3.117 -4.948 397 H LYS 52 H LYS 52 2.779 -6.841 -2.106 398 HA LYS 52 HA LYS 52 1.639 -5.039 -0.048 399 1HB LYS 52 1HB LYS 52 2.127 -7.992 0.367 400 2HB LYS 52 2HB LYS 52 1.249 -6.895 1.407 401 1HG LYS 52 1HG LYS 52 -0.496 -6.676 -0.297 402 2HG LYS 52 2HG LYS 52 0.377 -7.816 -1.323 403 1HD LYS 52 1HD LYS 52 0.151 -9.538 0.405 404 2HD LYS 52 2HD LYS 52 -0.729 -8.397 1.424 405 1HE LYS 52 2HE LYS 52 -2.476 -8.222 -0.280 406 2HE LYS 52 1HE LYS 52 -1.594 -9.364 -1.300 407 1HZ LYS 52 1HZ LYS 52 -2.122 -11.117 0.047 408 2HZ LYS 52 2HZ LYS 52 -3.513 -10.173 0.242 409 3HZ LYS 52 3HZ LYS 52 -2.311 -10.163 1.433 410 H LEU 53 H LEU 53 3.240 -3.940 0.952 411 HA LEU 53 HA LEU 53 5.972 -4.603 0.633 412 1HB LEU 53 1HB LEU 53 4.791 -2.730 2.676 413 2HB LEU 53 2HB LEU 53 6.440 -2.727 2.076 414 HG LEU 53 HG LEU 53 3.991 -2.103 0.412 415 1HD1 LEU 53 1HD2 LEU 53 4.457 0.162 0.647 416 2HD1 LEU 53 2HD2 LEU 53 6.080 -0.137 1.266 417 3HD1 LEU 53 3HD2 LEU 53 4.674 -0.480 2.276 418 1HD2 LEU 53 1HD1 LEU 53 5.413 -2.673 -1.250 419 2HD2 LEU 53 2HD1 LEU 53 6.847 -2.461 -0.241 420 3HD2 LEU 53 3HD1 LEU 53 6.057 -1.055 -0.954 421 H LYS 54 H LYS 54 7.560 -5.270 2.083 422 HA LYS 54 HA LYS 54 6.568 -6.805 4.406 423 1HB LYS 54 1HB LYS 54 8.971 -7.355 2.659 424 2HB LYS 54 2HB LYS 54 8.521 -8.282 4.079 425 1HG LYS 54 2HG LYS 54 6.498 -9.017 3.004 426 2HG LYS 54 1HG LYS 54 6.836 -7.990 1.608 427 1HD LYS 54 1HD LYS 54 7.527 -10.142 0.967 428 2HD LYS 54 2HD LYS 54 9.011 -9.288 1.372 429 1HE LYS 54 2HE LYS 54 9.024 -10.351 3.576 430 2HE LYS 54 1HE LYS 54 7.535 -11.206 3.174 431 1HZ LYS 54 1HZ LYS 54 10.149 -11.514 1.796 432 2HZ LYS 54 2HZ LYS 54 8.721 -12.310 1.364 433 3HZ LYS 54 3HZ LYS 54 9.445 -12.628 2.859 434 H GLY 55 H GLY 55 8.945 -4.496 3.291 435 1HA GLY 55 2HA GLY 55 10.758 -4.673 5.461 436 2HA GLY 55 1HA GLY 55 10.608 -3.319 4.357 437 H ARG 56 H ARG 56 9.938 -1.448 5.166 438 HA ARG 56 HA ARG 56 9.074 -1.347 7.937 439 1HB ARG 56 1HB ARG 56 9.689 0.866 5.969 440 2HB ARG 56 2HB ARG 56 9.301 1.111 7.665 441 1HG ARG 56 1HG ARG 56 11.295 -0.138 8.310 442 2HG ARG 56 2HG ARG 56 11.683 -0.399 6.607 443 1HD ARG 56 2HD ARG 56 11.868 2.019 6.281 444 2HD ARG 56 1HD ARG 56 11.485 2.278 7.982 445 HE ARG 56 HE ARG 56 13.687 0.564 7.829 446 1HH1 ARG 56 1HH1 ARG 56 12.904 3.911 7.129 447 2HH1 ARG 56 2HH1 ARG 56 14.521 4.467 7.406 448 1HH2 ARG 56 1HH2 ARG 56 15.800 1.312 8.188 449 2HH2 ARG 56 2HH2 ARG 56 16.159 2.997 8.005 450 H GLY 57 H GLY 57 7.414 -2.141 5.410 451 1HA GLY 57 1HA GLY 57 5.056 -0.521 6.121 452 2HA GLY 57 2HA GLY 57 5.394 -1.016 4.469 453 H ARG 58 H ARG 58 5.257 -2.567 7.662 454 HA ARG 58 HA ARG 58 4.522 -5.124 6.849 455 1HB ARG 58 2HB ARG 58 3.672 -3.751 9.407 456 2HB ARG 58 1HB ARG 58 3.776 -5.484 9.136 457 1HG ARG 58 1HG ARG 58 6.173 -3.694 8.934 458 2HG ARG 58 2HG ARG 58 5.633 -4.390 10.460 459 1HD ARG 58 2HD ARG 58 6.372 -5.954 7.986 460 2HD ARG 58 1HD ARG 58 7.409 -5.725 9.393 461 HE ARG 58 HE ARG 58 4.985 -6.823 10.256 462 1HH1 ARG 58 1HH1 ARG 58 7.772 -7.768 8.347 463 2HH1 ARG 58 2HH1 ARG 58 7.613 -9.446 8.736 464 1HH2 ARG 58 1HH2 ARG 58 4.793 -9.029 10.754 465 2HH2 ARG 58 2HH2 ARG 58 5.927 -10.161 10.097 466 H LEU 59 H LEU 59 2.445 -2.510 8.024 467 HA LEU 59 HA LEU 59 0.075 -3.908 7.015 468 1HB LEU 59 1HB LEU 59 0.301 -1.450 8.760 469 2HB LEU 59 2HB LEU 59 -1.198 -2.237 8.311 470 HG LEU 59 HG LEU 59 0.975 -3.584 9.922 471 1HD1 LEU 59 1HD1 LEU 59 -1.066 -3.206 11.655 472 2HD1 LEU 59 2HD1 LEU 59 -1.156 -1.721 10.708 473 3HD1 LEU 59 3HD1 LEU 59 0.343 -2.152 11.533 474 1HD2 LEU 59 1HD2 LEU 59 -0.308 -5.291 9.028 475 2HD2 LEU 59 2HD2 LEU 59 -1.792 -4.338 9.071 476 3HD2 LEU 59 3HD2 LEU 59 -1.114 -4.983 10.566 477 H PHE 60 H PHE 60 2.171 -2.300 5.429 478 HA PHE 60 HA PHE 60 0.307 -0.414 4.153 479 1HB PHE 60 2HB PHE 60 3.321 -0.405 4.274 480 2HB PHE 60 1HB PHE 60 2.420 0.589 3.141 481 HD1 PHE 60 HD1 PHE 60 2.758 -0.098 6.799 482 HD2 PHE 60 HD2 PHE 60 1.715 2.696 3.759 483 HE1 PHE 60 HE1 PHE 60 2.537 1.665 8.499 484 HE2 PHE 60 HE2 PHE 60 1.494 4.462 5.456 485 HZ PHE 60 HZ PHE 60 1.906 3.949 7.829 486 H TRP 61 H TRP 61 -0.430 -0.867 2.240 487 HA TRP 61 HA TRP 61 0.906 -2.929 0.626 488 1HB TRP 61 2HB TRP 61 -1.999 -2.116 0.836 489 2HB TRP 61 1HB TRP 61 -1.397 -3.119 -0.478 490 HD1 TRP 61 HD1 TRP 61 0.584 -4.518 2.086 491 HE1 TRP 61 HE1 TRP 61 -0.538 -6.482 3.291 492 HE3 TRP 61 HE3 TRP 61 -4.267 -3.701 0.659 493 HZ2 TRP 61 HZ2 TRP 61 -3.124 -7.542 3.625 494 HZ3 TRP 61 HZ3 TRP 61 -6.001 -5.240 1.476 495 HH2 TRP 61 HH2 TRP 61 -5.441 -7.121 2.928 496 H GLY 62 H GLY 62 -0.195 -2.501 -1.826 497 1HA GLY 62 2HA GLY 62 -0.064 0.281 -2.578 498 2HA GLY 62 1HA GLY 62 1.394 -0.648 -3.037 499 H GLY 63 H GLY 63 -0.209 0.590 -4.912 500 1HA GLY 63 2HA GLY 63 -0.549 -1.271 -6.878 501 2HA GLY 63 1HA GLY 63 -2.101 -1.237 -6.054 502 H SER 64 H SER 64 -3.280 -0.351 -7.686 503 HA SER 64 HA SER 64 -2.819 2.492 -8.181 504 1HB SER 64 2HB SER 64 -3.234 0.422 -10.347 505 2HB SER 64 1HB SER 64 -3.382 2.160 -10.608 506 HG SER 64 HG SER 64 -1.147 2.192 -9.668 507 H VAL 65 H VAL 65 -4.657 3.691 -8.422 508 HA VAL 65 HA VAL 65 -7.128 2.383 -7.619 509 HB VAL 65 HB VAL 65 -6.575 5.338 -7.987 510 1HG1 VAL 65 1HG2 VAL 65 -8.972 3.829 -7.341 511 2HG1 VAL 65 2HG2 VAL 65 -8.791 5.527 -7.778 512 3HG1 VAL 65 3HG2 VAL 65 -8.576 5.021 -6.102 513 1HG2 VAL 65 1HG1 VAL 65 -5.472 5.319 -6.062 514 2HG2 VAL 65 2HG1 VAL 65 -5.633 3.564 -5.990 515 3HG2 VAL 65 3HG1 VAL 65 -6.864 4.593 -5.256 516 H GLN 66 H GLN 66 -8.836 2.045 -8.882 517 HA GLN 66 HA GLN 66 -8.961 3.376 -11.500 518 1HB GLN 66 1HB GLN 66 -8.132 1.109 -11.862 519 2HB GLN 66 2HB GLN 66 -9.486 0.446 -10.958 520 1HG GLN 66 2HG GLN 66 -11.036 1.234 -12.640 521 2HG GLN 66 1HG GLN 66 -9.715 1.995 -13.528 522 1HE2 GLN 66 1HE2 GLN 66 -8.310 -0.742 -12.486 523 2HE2 GLN 66 2HE2 GLN 66 -8.708 -1.808 -13.782 524 H GLY 67 H GLY 67 -10.551 4.799 -10.978 525 1HA GLY 67 1HA GLY 67 -13.158 3.636 -10.208 526 2HA GLY 67 2HA GLY 67 -12.588 5.159 -9.542 527 H ASP 68 H ASP 68 -11.449 6.145 -11.959 528 HA ASP 68 HA ASP 68 -13.619 6.306 -13.883 529 1HB ASP 68 2HB ASP 68 -14.120 8.066 -12.193 530 2HB ASP 68 1HB ASP 68 -12.553 8.793 -12.530 531 H TYR 69 H TYR 69 -10.389 6.696 -12.911 532 HA TYR 69 HA TYR 69 -8.413 6.590 -13.986 533 1HB TYR 69 2HB TYR 69 -9.703 5.187 -15.678 534 2HB TYR 69 1HB TYR 69 -9.819 6.643 -16.655 535 HD1 TYR 69 HD1 TYR 69 -8.464 6.376 -18.502 536 HD2 TYR 69 HD2 TYR 69 -6.967 5.173 -14.701 537 HE1 TYR 69 HE1 TYR 69 -6.293 5.846 -19.526 538 HE2 TYR 69 HE2 TYR 69 -4.794 4.649 -15.716 539 HH TYR 69 HH TYR 69 -3.942 5.626 -18.854 540 H TYR 70 H TYR 70 -10.655 8.893 -15.544 541 HA TYR 70 HA TYR 70 -10.449 11.047 -16.205 542 1HB TYR 70 2HB TYR 70 -8.290 11.081 -14.090 543 2HB TYR 70 1HB TYR 70 -8.899 12.512 -14.903 544 HD1 TYR 70 HD1 TYR 70 -9.636 9.934 -12.409 545 HD2 TYR 70 HD2 TYR 70 -11.091 13.412 -14.382 546 HE1 TYR 70 HE1 TYR 70 -11.380 10.173 -10.693 547 HE2 TYR 70 HE2 TYR 70 -12.840 13.657 -12.673 548 HH TYR 70 HH TYR 70 -12.792 12.343 -9.792 549 H GLY 71 H GLY 71 -8.549 8.881 -17.354 550 1HA GLY 71 1HA GLY 71 -7.343 9.102 -19.380 551 2HA GLY 71 2HA GLY 71 -6.994 10.773 -18.964 552 H ASP 72 H ASP 72 -6.001 10.415 -16.373 553 HA ASP 72 HA ASP 72 -3.716 8.603 -16.628 554 1HB ASP 72 2HB ASP 72 -3.495 11.565 -16.043 555 2HB ASP 72 1HB ASP 72 -2.177 10.413 -15.885 556 H LEU 73 H LEU 73 -3.926 7.341 -14.874 557 HA LEU 73 HA LEU 73 -3.915 8.541 -12.242 558 1HB LEU 73 2HB LEU 73 -6.343 8.318 -12.981 559 2HB LEU 73 1HB LEU 73 -6.107 6.588 -12.844 560 HG LEU 73 HG LEU 73 -5.442 6.966 -10.438 561 1HD1 LEU 73 1HD1 LEU 73 -5.260 9.010 -9.584 562 2HD1 LEU 73 2HD1 LEU 73 -6.868 9.451 -10.160 563 3HD1 LEU 73 3HD1 LEU 73 -5.468 9.654 -11.214 564 1HD2 LEU 73 1HD2 LEU 73 -7.740 6.330 -11.400 565 2HD2 LEU 73 2HD2 LEU 73 -8.205 7.966 -10.935 566 3HD2 LEU 73 3HD2 LEU 73 -7.626 6.832 -9.715 567 H ALA 74 H ALA 74 -4.246 5.520 -14.084 568 HA ALA 74 HA ALA 74 -2.752 4.092 -12.013 569 1HB ALA 74 1HB ALA 74 -4.948 3.317 -13.366 570 2HB ALA 74 2HB ALA 74 -3.771 2.192 -12.682 571 3HB ALA 74 3HB ALA 74 -3.691 2.619 -14.391 572 H ALA 75 H ALA 75 -1.586 6.066 -13.953 573 HA ALA 75 HA ALA 75 0.048 4.588 -15.783 574 1HB ALA 75 1HB ALA 75 0.380 7.427 -14.815 575 2HB ALA 75 2HB ALA 75 -0.622 6.931 -16.179 576 3HB ALA 75 3HB ALA 75 1.126 6.705 -16.240 577 H ARG 76 H ARG 76 0.599 6.190 -12.659 578 HA ARG 76 HA ARG 76 3.166 4.774 -12.465 579 1HB ARG 76 2HB ARG 76 3.712 6.479 -10.670 580 2HB ARG 76 1HB ARG 76 3.625 7.084 -12.313 581 1HG ARG 76 2HG ARG 76 2.518 8.735 -11.195 582 2HG ARG 76 1HG ARG 76 1.168 7.695 -11.643 583 1HD ARG 76 2HD ARG 76 1.075 6.751 -9.448 584 2HD ARG 76 1HD ARG 76 2.585 7.531 -8.988 585 HE ARG 76 HE ARG 76 1.388 9.386 -8.441 586 1HH1 ARG 76 1HH1 ARG 76 -0.602 7.511 -10.645 587 2HH1 ARG 76 2HH1 ARG 76 -1.948 8.593 -10.525 588 1HH2 ARG 76 1HH2 ARG 76 -0.388 10.783 -8.302 589 2HH2 ARG 76 2HH2 ARG 76 -1.827 10.441 -9.203 590 H LEU 77 H LEU 77 3.776 3.861 -10.432 591 HA LEU 77 HA LEU 77 1.514 2.618 -9.096 592 1HB LEU 77 2HB LEU 77 3.987 1.722 -9.889 593 2HB LEU 77 1HB LEU 77 4.183 1.912 -8.160 594 HG LEU 77 HG LEU 77 3.542 -0.366 -8.763 595 1HD1 LEU 77 1HD1 LEU 77 1.060 0.350 -7.462 596 2HD1 LEU 77 2HD1 LEU 77 2.465 1.139 -6.744 597 3HD1 LEU 77 3HD1 LEU 77 2.412 -0.619 -6.872 598 1HD2 LEU 77 1HD2 LEU 77 1.564 -0.979 -9.821 599 2HD2 LEU 77 2HD2 LEU 77 2.165 0.381 -10.770 600 3HD2 LEU 77 3HD2 LEU 77 0.854 0.622 -9.616 601 H GLY 78 H GLY 78 0.859 3.008 -7.060 602 1HA GLY 78 1HA GLY 78 2.541 4.760 -5.368 603 2HA GLY 78 2HA GLY 78 0.812 5.031 -5.537 604 H TYR 79 H TYR 79 1.440 4.806 -3.035 605 HA TYR 79 HA TYR 79 0.784 2.026 -2.311 606 1HB TYR 79 2HB TYR 79 2.564 3.879 -0.705 607 2HB TYR 79 1HB TYR 79 2.131 2.225 -0.279 608 HD1 TYR 79 HD1 TYR 79 4.740 4.104 -1.383 609 HD2 TYR 79 HD2 TYR 79 2.655 0.561 -2.482 610 HE1 TYR 79 HE1 TYR 79 6.729 3.312 -2.587 611 HE2 TYR 79 HE2 TYR 79 4.635 -0.240 -3.695 612 HH TYR 79 HH TYR 79 7.594 0.786 -3.257 613 H PHE 80 H PHE 80 -0.399 1.762 -0.313 614 HA PHE 80 HA PHE 80 -1.682 4.064 0.875 615 1HB PHE 80 2HB PHE 80 -3.996 3.160 0.375 616 2HB PHE 80 1HB PHE 80 -3.145 3.849 -1.003 617 HD1 PHE 80 HD1 PHE 80 -4.168 0.651 0.585 618 HD2 PHE 80 HD2 PHE 80 -2.699 2.567 -2.922 619 HE1 PHE 80 HE1 PHE 80 -4.552 -1.411 -0.699 620 HE2 PHE 80 HE2 PHE 80 -3.082 0.509 -4.208 621 HZ PHE 80 HZ PHE 80 -4.009 -1.483 -3.099 622 HA PRO 81 HA PRO 81 -1.761 1.303 4.379 623 1HB PRO 81 2HB PRO 81 -4.168 2.557 5.457 624 2HB PRO 81 1HB PRO 81 -2.510 2.631 6.058 625 1HG PRO 81 2HG PRO 81 -3.753 4.768 4.965 626 2HG PRO 81 1HG PRO 81 -2.005 4.503 4.824 627 1HD PRO 81 2HD PRO 81 -4.171 3.956 2.825 628 2HD PRO 81 1HD PRO 81 -2.569 4.684 2.577 629 H SER 82 H SER 82 -2.566 -0.669 4.818 630 HA SER 82 HA SER 82 -4.620 -1.802 3.250 631 1HB SER 82 2HB SER 82 -4.275 -3.813 4.584 632 2HB SER 82 1HB SER 82 -2.718 -3.071 4.224 633 HG SER 82 HG SER 82 -3.172 -3.772 6.485 634 H SER 83 H SER 83 -4.675 -0.154 6.276 635 HA SER 83 HA SER 83 -7.021 -1.220 7.398 636 1HB SER 83 1HB SER 83 -5.756 1.495 7.787 637 2HB SER 83 2HB SER 83 -7.006 0.801 8.819 638 HG SER 83 HG SER 83 -4.456 -0.351 8.344 639 H ILE 84 H ILE 84 -6.667 0.981 4.731 640 HA ILE 84 HA ILE 84 -9.439 1.877 5.099 641 HB ILE 84 HB ILE 84 -9.056 3.555 3.386 642 1HG1 ILE 84 2HG1 ILE 84 -6.132 2.854 3.413 643 2HG1 ILE 84 1HG1 ILE 84 -7.227 2.138 2.229 644 1HG2 ILE 84 1HG2 ILE 84 -8.067 5.021 4.815 645 2HG2 ILE 84 2HG2 ILE 84 -6.753 3.915 5.220 646 3HG2 ILE 84 3HG2 ILE 84 -8.350 3.685 5.931 647 1HD1 ILE 84 1HD1 ILE 84 -6.025 4.754 2.289 648 2HD1 ILE 84 2HD1 ILE 84 -7.778 4.841 2.127 649 3HD1 ILE 84 3HD1 ILE 84 -6.831 3.908 0.968 650 H VAL 85 H VAL 85 -7.988 -0.659 3.624 651 HA VAL 85 HA VAL 85 -10.022 -0.671 1.484 652 HB VAL 85 HB VAL 85 -8.567 -2.048 0.085 653 1HG1 VAL 85 1HG1 VAL 85 -7.143 0.465 0.939 654 2HG1 VAL 85 2HG1 VAL 85 -8.554 0.418 -0.118 655 3HG1 VAL 85 3HG1 VAL 85 -7.044 -0.336 -0.629 656 1HG2 VAL 85 1HG2 VAL 85 -6.056 -2.006 0.790 657 2HG2 VAL 85 2HG2 VAL 85 -7.132 -3.251 1.430 658 3HG2 VAL 85 3HG2 VAL 85 -6.714 -1.850 2.419 659 H ARG 86 H ARG 86 -10.884 -2.724 0.873 660 HA ARG 86 HA ARG 86 -10.548 -4.856 2.867 661 1HB ARG 86 2HB ARG 86 -12.582 -3.524 3.404 662 2HB ARG 86 1HB ARG 86 -13.221 -3.905 1.813 663 1HG ARG 86 2HG ARG 86 -13.241 -6.282 2.387 664 2HG ARG 86 1HG ARG 86 -12.602 -5.897 3.986 665 1HD ARG 86 2HD ARG 86 -14.592 -4.558 4.463 666 2HD ARG 86 1HD ARG 86 -15.229 -4.930 2.863 667 HE ARG 86 HE ARG 86 -15.959 -6.928 3.673 668 1HH1 ARG 86 1HH1 ARG 86 -13.498 -5.755 5.888 669 2HH1 ARG 86 2HH1 ARG 86 -13.717 -7.062 7.000 670 1HH2 ARG 86 1HH2 ARG 86 -16.226 -8.628 5.146 671 2HH2 ARG 86 2HH2 ARG 86 -15.258 -8.688 6.581 672 H GLU 87 H GLU 87 -9.689 -6.467 1.740 673 HA GLU 87 HA GLU 87 -10.054 -6.874 -1.047 674 1HB GLU 87 1HB GLU 87 -8.709 -8.325 1.172 675 2HB GLU 87 2HB GLU 87 -9.092 -9.251 -0.275 676 1HG GLU 87 2HG GLU 87 -7.849 -7.594 -1.615 677 2HG GLU 87 1HG GLU 87 -7.401 -6.768 -0.124 678 H ASP 88 H ASP 88 -11.675 -7.816 -2.086 679 HA ASP 88 HA ASP 88 -13.560 -9.461 -0.538 680 1HB ASP 88 2HB ASP 88 -14.412 -7.308 -1.515 681 2HB ASP 88 1HB ASP 88 -14.109 -7.977 -3.114 682 H GLN 89 H GLN 89 -12.038 -9.192 -3.764 683 HA GLN 89 HA GLN 89 -12.198 -12.130 -3.958 684 1HB GLN 89 2HB GLN 89 -14.118 -11.182 -5.187 685 2HB GLN 89 1HB GLN 89 -13.011 -10.245 -6.179 686 1HG GLN 89 1HG GLN 89 -12.242 -12.989 -6.283 687 2HG GLN 89 2HG GLN 89 -13.969 -12.861 -6.611 688 1HE2 GLN 89 1HE2 GLN 89 -10.989 -12.832 -7.986 689 2HE2 GLN 89 2HE2 GLN 89 -11.348 -11.999 -9.453 690 H THR 90 H THR 90 -10.380 -13.070 -4.603 691 HA THR 90 HA THR 90 -8.110 -11.452 -5.411 692 HB THR 90 HB THR 90 -8.333 -14.441 -4.984 693 HG1 THR 90 HG1 THR 90 -8.245 -13.986 -2.961 694 1HG2 THR 90 1HG2 THR 90 -5.743 -13.220 -4.505 695 2HG2 THR 90 2HG2 THR 90 -6.246 -13.151 -6.194 696 3HG2 THR 90 3HG2 THR 90 -6.159 -14.704 -5.362 697 H LEU 91 H LEU 91 -7.610 -11.057 -7.457 698 HA LEU 91 HA LEU 91 -8.999 -12.391 -9.625 699 1HB LEU 91 1HB LEU 91 -6.850 -10.286 -9.837 700 2HB LEU 91 2HB LEU 91 -8.068 -10.692 -11.028 701 HG LEU 91 HG LEU 91 -8.827 -9.544 -8.356 702 1HD1 LEU 91 1HD2 LEU 91 -7.143 -8.223 -10.016 703 2HD1 LEU 91 2HD2 LEU 91 -8.297 -7.447 -8.933 704 3HD1 LEU 91 3HD2 LEU 91 -8.711 -7.699 -10.628 705 1HD2 LEU 91 1HD1 LEU 91 -10.559 -8.607 -10.240 706 2HD2 LEU 91 2HD1 LEU 91 -10.832 -10.016 -9.215 707 3HD2 LEU 91 3HD1 LEU 91 -10.192 -10.223 -10.846 708 H LYS 92 H LYS 92 -5.833 -12.308 -8.212 709 HA LYS 92 HA LYS 92 -4.989 -14.610 -9.739 710 1HB LYS 92 2HB LYS 92 -4.412 -12.563 -11.134 711 2HB LYS 92 1HB LYS 92 -3.288 -12.114 -9.867 712 1HG LYS 92 2HG LYS 92 -1.744 -13.328 -10.895 713 2HG LYS 92 1HG LYS 92 -2.670 -14.769 -10.481 714 1HD LYS 92 1HD LYS 92 -3.156 -13.134 -12.967 715 2HD LYS 92 2HD LYS 92 -2.083 -14.529 -12.919 716 1HE LYS 92 2HE LYS 92 -5.030 -14.568 -12.265 717 2HE LYS 92 1HE LYS 92 -4.312 -15.099 -13.784 718 1HZ LYS 92 1HZ LYS 92 -4.528 -16.488 -11.296 719 2HZ LYS 92 2HZ LYS 92 -2.937 -16.475 -11.869 720 3HZ LYS 92 3HZ LYS 92 -4.178 -17.091 -12.839 721 HA PRO 93 HA PRO 93 -3.266 -15.454 -5.673 722 1HB PRO 93 2HB PRO 93 -1.472 -17.261 -7.211 723 2HB PRO 93 1HB PRO 93 -2.479 -17.613 -5.813 724 1HG PRO 93 2HG PRO 93 -3.253 -18.456 -8.170 725 2HG PRO 93 1HG PRO 93 -4.443 -17.678 -7.101 726 1HD PRO 93 2HD PRO 93 -2.913 -16.494 -9.393 727 2HD PRO 93 1HD PRO 93 -4.651 -16.402 -9.063 728 H GLY 94 H GLY 94 -1.869 -14.263 -4.589 729 1HA GLY 94 1HA GLY 94 0.554 -13.268 -5.920 730 2HA GLY 94 2HA GLY 94 -0.159 -12.614 -4.449 731 H LYS 95 H LYS 95 1.914 -15.023 -5.811 732 HA LYS 95 HA LYS 95 2.913 -15.653 -3.137 733 1HB LYS 95 1HB LYS 95 3.168 -18.072 -3.977 734 2HB LYS 95 2HB LYS 95 1.576 -17.523 -3.470 735 1HG LYS 95 2HG LYS 95 0.976 -17.125 -5.807 736 2HG LYS 95 1HG LYS 95 2.565 -17.714 -6.305 737 1HD LYS 95 2HD LYS 95 2.047 -19.890 -5.252 738 2HD LYS 95 1HD LYS 95 0.438 -19.285 -4.852 739 1HE LYS 95 2HE LYS 95 0.350 -20.641 -6.862 740 2HE LYS 95 1HE LYS 95 -0.025 -18.961 -7.239 741 1HZ LYS 95 1HZ LYS 95 1.606 -20.279 -8.729 742 2HZ LYS 95 2HZ LYS 95 2.738 -19.932 -7.520 743 3HZ LYS 95 3HZ LYS 95 1.959 -18.671 -8.335 744 H VAL 96 H VAL 96 3.945 -13.952 -5.297 745 HA VAL 96 HA VAL 96 6.533 -15.303 -5.727 746 HB VAL 96 HB VAL 96 5.284 -13.283 -7.611 747 1HG1 VAL 96 1HG1 VAL 96 7.620 -15.029 -8.270 748 2HG1 VAL 96 2HG1 VAL 96 7.863 -13.533 -7.368 749 3HG1 VAL 96 3HG1 VAL 96 7.139 -13.487 -8.976 750 1HG2 VAL 96 1HG2 VAL 96 5.766 -16.097 -8.433 751 2HG2 VAL 96 2HG2 VAL 96 4.540 -14.953 -8.976 752 3HG2 VAL 96 3HG2 VAL 96 4.362 -15.763 -7.420 753 H ASP 97 H ASP 97 8.034 -14.375 -4.496 754 HA ASP 97 HA ASP 97 7.697 -11.678 -3.495 755 1HB ASP 97 2HB ASP 97 8.503 -13.605 -2.087 756 2HB ASP 97 1HB ASP 97 9.996 -13.581 -3.014 757 H VAL 98 H VAL 98 8.379 -9.961 -4.571 758 HA VAL 98 HA VAL 98 10.883 -10.113 -6.130 759 HB VAL 98 HB VAL 98 8.506 -8.421 -6.957 760 1HG1 VAL 98 1HG1 VAL 98 11.103 -8.133 -7.649 761 2HG1 VAL 98 2HG1 VAL 98 9.747 -7.680 -8.683 762 3HG1 VAL 98 3HG1 VAL 98 10.551 -9.232 -8.913 763 1HG2 VAL 98 1HG2 VAL 98 8.770 -11.230 -7.233 764 2HG2 VAL 98 2HG2 VAL 98 8.991 -10.509 -8.827 765 3HG2 VAL 98 3HG2 VAL 98 7.528 -10.171 -7.901 766 H LYS 99 H LYS 99 12.285 -8.409 -5.848 767 HA LYS 99 HA LYS 99 11.764 -6.631 -3.644 768 1HB LYS 99 1HB LYS 99 14.086 -5.796 -4.094 769 2HB LYS 99 2HB LYS 99 13.979 -7.519 -3.788 770 1HG LYS 99 2HG LYS 99 15.407 -7.542 -5.540 771 2HG LYS 99 1HG LYS 99 13.887 -7.620 -6.425 772 1HD LYS 99 2HD LYS 99 13.967 -5.201 -6.782 773 2HD LYS 99 1HD LYS 99 15.478 -5.114 -5.877 774 1HE LYS 99 2HE LYS 99 15.926 -5.089 -8.260 775 2HE LYS 99 1HE LYS 99 16.543 -6.575 -7.539 776 1HZ LYS 99 1HZ LYS 99 15.221 -6.689 -9.732 777 2HZ LYS 99 2HZ LYS 99 13.856 -6.527 -8.746 778 3HZ LYS 99 3HZ LYS 99 14.905 -7.836 -8.528 779 H THR 100 H THR 100 12.371 -4.239 -3.870 780 HA THR 100 HA THR 100 10.781 -3.143 -6.060 781 HB THR 100 HB THR 100 10.855 -1.025 -4.803 782 HG1 THR 100 HG1 THR 100 12.452 -2.493 -2.971 783 1HG2 THR 100 1HG2 THR 100 9.132 -2.683 -4.191 784 2HG2 THR 100 2HG2 THR 100 9.607 -1.634 -2.856 785 3HG2 THR 100 3HG2 THR 100 10.207 -3.293 -2.933 786 H ASP 101 H ASP 101 11.484 -1.576 -7.493 787 HA ASP 101 HA ASP 101 14.392 -1.456 -7.890 788 1HB ASP 101 2HB ASP 101 12.103 -0.916 -9.791 789 2HB ASP 101 1HB ASP 101 13.800 -0.712 -10.204 790 H LYS 102 H LYS 102 14.800 0.766 -9.327 791 HA LYS 102 HA LYS 102 14.392 2.841 -7.368 792 1HB LYS 102 2HB LYS 102 15.838 4.219 -8.863 793 2HB LYS 102 1HB LYS 102 16.577 2.727 -8.315 794 1HG LYS 102 2HG LYS 102 17.220 2.731 -10.500 795 2HG LYS 102 1HG LYS 102 15.722 1.812 -10.617 796 1HD LYS 102 2HD LYS 102 15.728 3.380 -12.407 797 2HD LYS 102 1HD LYS 102 14.554 3.945 -11.225 798 1HE LYS 102 2HE LYS 102 15.874 5.793 -12.096 799 2HE LYS 102 1HE LYS 102 16.184 5.560 -10.375 800 1HZ LYS 102 1HZ LYS 102 17.944 4.246 -12.326 801 2HZ LYS 102 2HZ LYS 102 18.294 4.797 -10.766 802 3HZ LYS 102 3HZ LYS 102 18.142 5.903 -12.037 803 H TRP 103 H TRP 103 12.766 1.821 -10.174 804 HA TRP 103 HA TRP 103 11.685 4.403 -10.890 805 1HB TRP 103 2HB TRP 103 10.854 1.625 -11.773 806 2HB TRP 103 1HB TRP 103 10.263 3.130 -12.465 807 HD1 TRP 103 HD1 TRP 103 13.348 0.879 -12.395 808 HE1 TRP 103 HE1 TRP 103 14.926 1.575 -14.306 809 HE3 TRP 103 HE3 TRP 103 10.941 5.121 -13.939 810 HZ2 TRP 103 HZ2 TRP 103 15.129 3.650 -16.205 811 HZ3 TRP 103 HZ3 TRP 103 11.896 6.403 -15.809 812 HH2 TRP 103 HH2 TRP 103 13.947 5.680 -16.920 813 H ASP 104 H ASP 104 11.096 2.209 -8.454 814 HA ASP 104 HA ASP 104 8.239 2.497 -8.268 815 1HB ASP 104 2HB ASP 104 10.310 1.320 -6.408 816 2HB ASP 104 1HB ASP 104 8.587 1.309 -6.065 817 H PHE 105 H PHE 105 11.003 4.244 -7.145 818 HA PHE 105 HA PHE 105 9.246 5.954 -5.503 819 1HB PHE 105 2HB PHE 105 12.172 5.479 -4.898 820 2HB PHE 105 1HB PHE 105 10.987 6.296 -3.889 821 HD1 PHE 105 HD1 PHE 105 12.296 3.072 -4.982 822 HD2 PHE 105 HD2 PHE 105 9.383 5.025 -2.568 823 HE1 PHE 105 HE1 PHE 105 11.868 0.962 -3.799 824 HE2 PHE 105 HE2 PHE 105 8.953 2.910 -1.381 825 HZ PHE 105 HZ PHE 105 10.202 0.883 -1.993 826 H TYR 106 H TYR 106 9.887 6.285 -8.287 827 HA TYR 106 HA TYR 106 11.233 8.893 -8.154 828 1HB TYR 106 2HB TYR 106 12.767 7.018 -8.969 829 2HB TYR 106 1HB TYR 106 11.736 6.913 -10.384 830 HD1 TYR 106 HD1 TYR 106 13.004 7.627 -12.168 831 HD2 TYR 106 HD2 TYR 106 13.099 9.926 -8.576 832 HE1 TYR 106 HE1 TYR 106 14.377 9.327 -13.291 833 HE2 TYR 106 HE2 TYR 106 14.461 11.619 -9.695 834 HH TYR 106 HH TYR 106 14.708 12.107 -12.705 835 H CYS 107 H CYS 107 9.604 10.251 -8.617 836 HA CYS 107 HA CYS 107 7.806 9.590 -10.856 837 1HB CYS 107 1HB CYS 107 7.337 11.287 -8.406 838 2HB CYS 107 2HB CYS 107 6.234 11.227 -9.772 839 H GLN 108 HN GLN 108 10.367 10.827 -11.225 840 HA GLN 108 HA GLN 108 9.634 13.550 -12.025 841 1HB GLN 108 2HB GLN 108 11.555 13.367 -10.513 842 2HB GLN 108 1HB GLN 108 12.350 12.277 -11.640 843 1HG GLN 108 2HG GLN 108 13.329 14.422 -11.857 844 2HG GLN 108 1HG GLN 108 12.379 14.099 -13.301 845 1HE2 GLN 108 1HE2 GLN 108 11.336 15.802 -14.001 846 2HE2 GLN 108 2HE2 GLN 108 10.653 17.060 -13.033 Start of MODEL 13 1 1H MET 1 1HT MET 1 7.049 15.506 -2.944 2 2H MET 1 2HT MET 1 6.617 14.057 -3.702 3 3H MET 1 3HT MET 1 5.983 15.522 -4.258 4 HA MET 1 HA MET 1 7.973 14.370 -5.472 5 1HB MET 1 2HB MET 1 6.821 16.503 -6.043 6 2HB MET 1 1HB MET 1 7.854 17.343 -4.897 7 1HG MET 1 2HG MET 1 9.818 16.730 -6.220 8 2HG MET 1 1HG MET 1 8.776 15.898 -7.373 9 1HE MET 1 1HE MET 1 9.762 17.432 -9.476 10 2HE MET 1 2HE MET 1 10.873 17.950 -8.207 11 3HE MET 1 3HE MET 1 10.070 19.149 -9.221 12 H GLY 2 H GLY 2 9.961 13.662 -5.094 13 1HA GLY 2 2HA GLY 2 12.260 14.368 -4.458 14 2HA GLY 2 1HA GLY 2 11.551 14.969 -2.969 15 HA PRO 3 HA PRO 3 12.902 10.483 -2.456 16 1HB PRO 3 2HB PRO 3 15.108 11.153 -0.791 17 2HB PRO 3 1HB PRO 3 15.143 10.471 -2.413 18 1HG PRO 3 1HG PRO 3 15.996 13.019 -1.690 19 2HG PRO 3 2HG PRO 3 15.724 12.427 -3.332 20 1HD PRO 3 1HD PRO 3 14.035 14.171 -1.653 21 2HD PRO 3 2HD PRO 3 14.157 14.055 -3.415 22 H MET 4 H MET 4 12.279 9.282 -0.763 23 HA MET 4 HA MET 4 12.104 10.343 1.927 24 1HB MET 4 2HB MET 4 9.628 9.765 2.044 25 2HB MET 4 1HB MET 4 10.035 11.216 1.142 26 1HG MET 4 1HG MET 4 9.704 10.111 -0.938 27 2HG MET 4 2HG MET 4 9.554 8.544 -0.147 28 1HE MET 4 1HE MET 4 7.919 8.144 1.716 29 2HE MET 4 2HE MET 4 6.885 7.585 0.397 30 3HE MET 4 3HE MET 4 6.230 8.653 1.642 31 HA PRO 5 HA PRO 5 12.713 6.167 3.413 32 1HB PRO 5 2HB PRO 5 9.942 6.270 4.550 33 2HB PRO 5 1HB PRO 5 11.437 5.688 5.293 34 1HG PRO 5 1HG PRO 5 10.501 8.077 5.920 35 2HG PRO 5 2HG PRO 5 12.239 7.847 5.656 36 1HD PRO 5 1HD PRO 5 10.207 9.140 3.903 37 2HD PRO 5 2HD PRO 5 11.923 9.528 4.121 38 H LYS 6 H LYS 6 12.447 4.140 2.689 39 HA LYS 6 HA LYS 6 10.756 3.685 0.429 40 1HB LYS 6 2HB LYS 6 12.578 1.779 1.905 41 2HB LYS 6 1HB LYS 6 11.874 1.512 0.318 42 1HG LYS 6 1HG LYS 6 13.144 3.383 -0.580 43 2HG LYS 6 2HG LYS 6 13.832 3.690 1.014 44 1HD LYS 6 2HD LYS 6 15.480 2.474 -0.152 45 2HD LYS 6 1HD LYS 6 14.718 1.310 0.932 46 1HE LYS 6 1HE LYS 6 15.042 0.300 -1.236 47 2HE LYS 6 2HE LYS 6 13.319 0.520 -0.938 48 1HZ LYS 6 1HZ LYS 6 13.765 1.185 -3.155 49 2HZ LYS 6 2HZ LYS 6 15.062 2.162 -2.686 50 3HZ LYS 6 3HZ LYS 6 13.483 2.601 -2.273 51 H LEU 7 H LEU 7 10.339 3.264 3.764 52 HA LEU 7 HA LEU 7 8.632 2.460 5.029 53 1HB LEU 7 2HB LEU 7 7.450 1.705 2.365 54 2HB LEU 7 1HB LEU 7 6.736 1.126 3.851 55 HG LEU 7 HG LEU 7 5.483 3.012 3.085 56 1HD1 LEU 7 1HD1 LEU 7 5.827 2.828 5.514 57 2HD1 LEU 7 2HD1 LEU 7 5.545 4.484 4.974 58 3HD1 LEU 7 3HD1 LEU 7 7.179 3.955 5.384 59 1HD2 LEU 7 1HD2 LEU 7 6.449 4.527 1.812 60 2HD2 LEU 7 2HD2 LEU 7 8.060 4.096 2.393 61 3HD2 LEU 7 3HD2 LEU 7 7.081 5.257 3.290 62 H ALA 8 H ALA 8 9.641 0.181 2.492 63 HA ALA 8 HA ALA 8 10.373 -1.763 4.531 64 1HB ALA 8 1HB ALA 8 9.046 -3.049 2.275 65 2HB ALA 8 2HB ALA 8 7.967 -2.008 3.205 66 3HB ALA 8 3HB ALA 8 8.842 -3.312 4.007 67 H ASP 9 H ASP 9 10.946 -3.871 2.638 68 HA ASP 9 HA ASP 9 13.007 -2.594 0.962 69 1HB ASP 9 1HB ASP 9 13.875 -3.701 3.085 70 2HB ASP 9 2HB ASP 9 13.380 -5.236 2.381 71 H ARG 10 H ARG 10 10.871 -5.389 1.413 72 HA ARG 10 HA ARG 10 11.089 -5.914 -1.480 73 1HB ARG 10 2HB ARG 10 10.760 -7.903 0.752 74 2HB ARG 10 1HB ARG 10 10.451 -8.300 -0.925 75 1HG ARG 10 2HG ARG 10 12.587 -9.059 -0.685 76 2HG ARG 10 1HG ARG 10 12.893 -7.420 -1.260 77 1HD ARG 10 2HD ARG 10 13.340 -6.655 0.960 78 2HD ARG 10 1HD ARG 10 12.831 -8.195 1.645 79 HE ARG 10 HE ARG 10 14.956 -8.600 -0.167 80 1HH1 ARG 10 1HH1 ARG 10 14.345 -7.338 3.048 81 2HH1 ARG 10 2HH1 ARG 10 15.949 -7.669 3.607 82 1HH2 ARG 10 1HH2 ARG 10 17.054 -9.027 0.585 83 2HH2 ARG 10 2HH2 ARG 10 17.482 -8.624 2.215 84 H LYS 11 H LYS 11 9.169 -6.943 -2.441 85 HA LYS 11 HA LYS 11 6.655 -6.261 -1.084 86 1HB LYS 11 2HB LYS 11 5.801 -5.476 -3.319 87 2HB LYS 11 1HB LYS 11 7.029 -4.451 -2.590 88 1HG LYS 11 2HG LYS 11 8.697 -5.759 -4.040 89 2HG LYS 11 1HG LYS 11 7.273 -6.293 -4.939 90 1HD LYS 11 2HD LYS 11 6.673 -4.009 -5.422 91 2HD LYS 11 1HD LYS 11 7.996 -3.418 -4.416 92 1HE LYS 11 2HE LYS 11 8.619 -3.283 -6.750 93 2HE LYS 11 1HE LYS 11 9.604 -4.497 -5.934 94 1HZ LYS 11 1HZ LYS 11 8.818 -6.094 -7.243 95 2HZ LYS 11 2HZ LYS 11 8.216 -4.866 -8.237 96 3HZ LYS 11 3HZ LYS 11 7.212 -5.585 -7.080 97 H LEU 12 H LEU 12 4.733 -7.245 -2.253 98 HA LEU 12 HA LEU 12 5.416 -9.953 -3.207 99 1HB LEU 12 2HB LEU 12 2.932 -9.079 -1.723 100 2HB LEU 12 1HB LEU 12 3.273 -10.702 -2.280 101 HG LEU 12 HG LEU 12 4.891 -9.246 -0.183 102 1HD1 LEU 12 1HD1 LEU 12 3.741 -11.117 1.238 103 2HD1 LEU 12 2HD1 LEU 12 2.511 -11.034 -0.023 104 3HD1 LEU 12 3HD1 LEU 12 2.907 -9.597 0.920 105 1HD2 LEU 12 1HD2 LEU 12 6.262 -10.892 -1.205 106 2HD2 LEU 12 2HD2 LEU 12 4.950 -12.071 -1.224 107 3HD2 LEU 12 3HD2 LEU 12 5.679 -11.588 0.308 108 H CYS 13 H CYS 13 4.648 -10.568 -5.132 109 HA CYS 13 HA CYS 13 2.502 -9.006 -6.401 110 1HB CYS 13 2HB CYS 13 5.091 -9.879 -7.699 111 2HB CYS 13 1HB CYS 13 3.727 -9.184 -8.560 112 H ALA 14 H ALA 14 1.654 -10.168 -8.395 113 HA ALA 14 HA ALA 14 0.969 -12.866 -7.679 114 1HB ALA 14 1HB ALA 14 -0.804 -11.711 -8.647 115 2HB ALA 14 2HB ALA 14 -0.235 -12.747 -9.956 116 3HB ALA 14 3HB ALA 14 0.206 -11.040 -9.927 117 H ASP 15 H ASP 15 2.993 -11.276 -10.043 118 HA ASP 15 HA ASP 15 4.350 -13.800 -10.576 119 1HB ASP 15 1HB ASP 15 4.516 -13.105 -13.037 120 2HB ASP 15 2HB ASP 15 2.973 -13.753 -12.491 121 H GLN 16 H GLN 16 6.413 -13.264 -11.963 122 HA GLN 16 HA GLN 16 7.981 -11.510 -10.394 123 1HB GLN 16 1HB GLN 16 8.673 -12.749 -13.059 124 2HB GLN 16 2HB GLN 16 9.805 -12.071 -11.898 125 1HG GLN 16 2HG GLN 16 9.207 -13.794 -10.288 126 2HG GLN 16 1HG GLN 16 8.061 -14.477 -11.441 127 1HE2 GLN 16 1HE2 GLN 16 11.046 -14.847 -10.184 128 2HE2 GLN 16 2HE2 GLN 16 11.815 -15.695 -11.477 129 H GLU 17 H GLU 17 5.904 -10.805 -12.951 130 HA GLU 17 HA GLU 17 7.427 -8.521 -13.937 131 1HB GLU 17 2HB GLU 17 4.643 -9.438 -14.686 132 2HB GLU 17 1HB GLU 17 5.583 -8.205 -15.511 133 1HG GLU 17 1HG GLU 17 7.249 -9.926 -16.102 134 2HG GLU 17 2HG GLU 17 6.216 -11.137 -15.351 135 H CYS 18 H CYS 18 4.944 -9.239 -11.646 136 HA CYS 18 HA CYS 18 3.630 -8.000 -10.269 137 1HB CYS 18 1HB CYS 18 5.720 -5.880 -10.835 138 2HB CYS 18 2HB CYS 18 4.457 -5.719 -9.619 139 H SER 19 H SER 19 3.065 -8.161 -13.054 140 HA SER 19 HA SER 19 1.818 -5.613 -13.723 141 1HB SER 19 2HB SER 19 3.147 -6.465 -15.482 142 2HB SER 19 1HB SER 19 2.462 -8.074 -15.314 143 HG SER 19 HG SER 19 1.593 -5.996 -16.794 144 H HIS 20 H HIS 20 1.023 -8.619 -12.387 145 HA HIS 20 HA HIS 20 -1.780 -8.488 -13.226 146 1HB HIS 20 2HB HIS 20 -0.010 -10.601 -12.129 147 2HB HIS 20 1HB HIS 20 -1.708 -10.686 -11.690 148 HD1 HIS 20 HD1 HIS 20 -1.276 -13.002 -13.078 149 HD2 HIS 20 HD2 HIS 20 -1.527 -9.492 -15.279 150 HE1 HIS 20 HE1 HIS 20 -1.869 -13.720 -15.398 151 HE2 HIS 20 HE2 HIS 20 -1.876 -11.589 -16.758 152 HA PRO 21 HA PRO 21 -2.967 -7.057 -9.153 153 1HB PRO 21 1HB PRO 21 -5.659 -7.379 -9.375 154 2HB PRO 21 2HB PRO 21 -4.766 -6.112 -10.220 155 1HG PRO 21 1HG PRO 21 -6.081 -8.470 -11.309 156 2HG PRO 21 2HG PRO 21 -5.424 -7.067 -12.163 157 1HD PRO 21 1HD PRO 21 -4.234 -9.710 -11.760 158 2HD PRO 21 2HD PRO 21 -3.736 -8.402 -12.861 159 H ILE 22 H ILE 22 -2.945 -7.985 -7.183 160 HA ILE 22 HA ILE 22 -3.308 -10.803 -6.897 161 HB ILE 22 HB ILE 22 -2.968 -8.742 -4.703 162 1HG1 ILE 22 2HG1 ILE 22 -0.840 -10.489 -5.970 163 2HG1 ILE 22 1HG1 ILE 22 -1.140 -8.825 -6.469 164 1HG2 ILE 22 1HG2 ILE 22 -2.841 -10.431 -3.203 165 2HG2 ILE 22 2HG2 ILE 22 -2.006 -11.504 -4.324 166 3HG2 ILE 22 3HG2 ILE 22 -3.760 -11.331 -4.411 167 1HD1 ILE 22 1HD1 ILE 22 -0.003 -9.846 -3.902 168 2HD1 ILE 22 2HD1 ILE 22 -0.743 -8.248 -3.991 169 3HD1 ILE 22 3HD1 ILE 22 0.642 -8.636 -5.011 170 H SER 23 H SER 23 -4.972 -8.084 -5.251 171 HA SER 23 HA SER 23 -7.462 -9.625 -5.403 172 1HB SER 23 2HB SER 23 -7.933 -9.023 -3.000 173 2HB SER 23 1HB SER 23 -6.612 -10.172 -3.222 174 HG SER 23 HG SER 23 -5.183 -8.677 -2.639 175 H MET 24 H MET 24 -9.354 -8.438 -5.326 176 HA MET 24 HA MET 24 -9.061 -5.588 -5.946 177 1HB MET 24 1HB MET 24 -10.253 -7.151 -7.529 178 2HB MET 24 2HB MET 24 -11.493 -7.347 -6.299 179 1HG MET 24 2HG MET 24 -10.786 -4.595 -7.156 180 2HG MET 24 1HG MET 24 -11.722 -5.602 -8.251 181 1HE MET 24 1HE MET 24 -13.758 -6.757 -7.731 182 2HE MET 24 2HE MET 24 -15.058 -6.069 -6.756 183 3HE MET 24 3HE MET 24 -13.910 -7.197 -6.030 184 H ALA 25 H ALA 25 -9.459 -4.182 -4.359 185 HA ALA 25 HA ALA 25 -11.281 -5.008 -2.191 186 1HB ALA 25 1HB ALA 25 -8.574 -4.186 -2.075 187 2HB ALA 25 2HB ALA 25 -9.652 -4.628 -0.751 188 3HB ALA 25 3HB ALA 25 -9.558 -2.951 -1.290 189 H VAL 26 H VAL 26 -12.592 -3.503 -1.232 190 HA VAL 26 HA VAL 26 -13.219 -1.152 -2.894 191 HB VAL 26 HB VAL 26 -14.896 -2.407 -0.699 192 1HG1 VAL 26 1HG2 VAL 26 -15.287 -0.099 -2.536 193 2HG1 VAL 26 2HG2 VAL 26 -15.785 -0.305 -0.856 194 3HG1 VAL 26 3HG2 VAL 26 -16.685 -1.102 -2.147 195 1HG2 VAL 26 1HG1 VAL 26 -15.435 -4.002 -2.148 196 2HG2 VAL 26 2HG1 VAL 26 -14.441 -3.258 -3.400 197 3HG2 VAL 26 3HG1 VAL 26 -16.122 -2.765 -3.200 198 H ALA 27 H ALA 27 -13.002 0.905 -2.110 199 HA ALA 27 HA ALA 27 -11.457 1.322 0.257 200 1HB ALA 27 1HB ALA 27 -11.108 3.404 -0.515 201 2HB ALA 27 2HB ALA 27 -12.807 3.655 -0.921 202 3HB ALA 27 3HB ALA 27 -11.766 2.738 -2.012 203 H LEU 28 H LEU 28 -12.041 1.857 2.243 204 HA LEU 28 HA LEU 28 -14.877 1.911 2.888 205 1HB LEU 28 2HB LEU 28 -12.397 1.589 4.562 206 2HB LEU 28 1HB LEU 28 -14.002 1.721 5.257 207 HG LEU 28 HG LEU 28 -13.196 -0.446 3.316 208 1HD1 LEU 28 1HD2 LEU 28 -13.612 -1.243 6.077 209 2HD1 LEU 28 2HD2 LEU 28 -12.240 -0.152 5.883 210 3HD1 LEU 28 3HD2 LEU 28 -12.309 -1.655 4.963 211 1HD2 LEU 28 1HD1 LEU 28 -15.210 -1.537 4.552 212 2HD2 LEU 28 2HD1 LEU 28 -15.502 -0.383 3.251 213 3HD2 LEU 28 3HD1 LEU 28 -15.641 0.131 4.933 214 H GLN 29 H GLN 29 -12.152 4.095 2.816 215 HA GLN 29 HA GLN 29 -13.926 6.257 3.618 216 1HB GLN 29 1HB GLN 29 -12.357 7.155 5.291 217 2HB GLN 29 2HB GLN 29 -12.984 5.580 5.750 218 1HG GLN 29 2HG GLN 29 -10.921 4.517 5.119 219 2HG GLN 29 1HG GLN 29 -10.290 6.039 4.490 220 1HE2 GLN 29 1HE2 GLN 29 -8.970 7.074 5.786 221 2HE2 GLN 29 2HE2 GLN 29 -8.940 6.975 7.508 222 H ASP 30 H ASP 30 -12.338 8.377 3.769 223 HA ASP 30 HA ASP 30 -11.288 8.625 1.065 224 1HB ASP 30 2HB ASP 30 -11.800 10.701 3.207 225 2HB ASP 30 1HB ASP 30 -11.250 11.056 1.572 226 H TYR 31 H TYR 31 -9.253 9.501 0.585 227 HA TYR 31 HA TYR 31 -7.276 9.829 2.679 228 1HB TYR 31 2HB TYR 31 -7.368 7.331 1.988 229 2HB TYR 31 1HB TYR 31 -6.669 7.869 0.468 230 HD1 TYR 31 HD1 TYR 31 -4.361 8.105 0.253 231 HD2 TYR 31 HD2 TYR 31 -6.062 7.945 4.151 232 HE1 TYR 31 HE1 TYR 31 -2.106 8.016 1.226 233 HE2 TYR 31 HE2 TYR 31 -3.809 7.855 5.134 234 HH TYR 31 HH TYR 31 -1.066 8.662 3.526 235 H MET 32 H MET 32 -5.718 11.275 2.101 236 HA MET 32 HA MET 32 -5.689 12.174 -0.706 237 1HB MET 32 2HB MET 32 -5.219 13.781 1.810 238 2HB MET 32 1HB MET 32 -4.976 14.394 0.180 239 1HG MET 32 1HG MET 32 -7.596 13.381 1.261 240 2HG MET 32 2HG MET 32 -7.119 15.071 1.183 241 1HE MET 32 1HE MET 32 -9.923 13.833 -0.408 242 2HE MET 32 2HE MET 32 -9.745 15.161 -1.553 243 3HE MET 32 3HE MET 32 -9.369 15.410 0.152 244 H ALA 33 H ALA 33 -3.763 12.331 -1.740 245 HA ALA 33 HA ALA 33 -1.441 11.237 -0.330 246 1HB ALA 33 1HB ALA 33 -1.864 9.994 -2.246 247 2HB ALA 33 2HB ALA 33 -0.545 11.063 -2.722 248 3HB ALA 33 3HB ALA 33 -2.197 11.427 -3.218 249 HA PRO 34 HA PRO 34 0.196 15.488 -0.483 250 1HB PRO 34 2HB PRO 34 2.317 14.507 1.252 251 2HB PRO 34 1HB PRO 34 1.068 15.702 1.601 252 1HG PRO 34 2HG PRO 34 1.123 13.266 2.770 253 2HG PRO 34 1HG PRO 34 -0.392 14.126 2.423 254 1HD PRO 34 2HD PRO 34 0.930 11.917 0.876 255 2HD PRO 34 1HD PRO 34 -0.779 12.120 1.311 256 H ASP 35 H ASP 35 2.482 12.751 -0.274 257 HA ASP 35 HA ASP 35 4.247 14.007 -2.220 258 1HB ASP 35 2HB ASP 35 4.998 12.884 -0.031 259 2HB ASP 35 1HB ASP 35 4.698 11.365 -0.863 260 H CYS 36 H CYS 36 5.150 12.692 -3.979 261 HA CYS 36 HA CYS 36 3.184 11.662 -5.703 262 1HB CYS 36 1HB CYS 36 5.076 11.004 -7.147 263 2HB CYS 36 2HB CYS 36 5.270 12.641 -6.526 264 H ARG 37 H ARG 37 5.169 10.132 -3.316 265 HA ARG 37 HA ARG 37 5.075 7.476 -4.251 266 1HB ARG 37 2HB ARG 37 6.474 8.786 -2.399 267 2HB ARG 37 1HB ARG 37 5.265 8.063 -1.351 268 1HG ARG 37 1HG ARG 37 6.544 6.238 -3.266 269 2HG ARG 37 2HG ARG 37 7.583 6.905 -2.009 270 1HD ARG 37 1HD ARG 37 5.942 6.149 -0.314 271 2HD ARG 37 2HD ARG 37 5.007 5.393 -1.603 272 HE ARG 37 HE ARG 37 7.713 4.498 -1.600 273 1HH1 ARG 37 1HH1 ARG 37 4.647 4.056 0.047 274 2HH1 ARG 37 2HH1 ARG 37 5.013 2.436 0.531 275 1HH2 ARG 37 1HH2 ARG 37 8.168 2.378 -0.955 276 2HH2 ARG 37 2HH2 ARG 37 7.003 1.489 -0.034 277 H PHE 38 H PHE 38 2.805 9.381 -2.328 278 HA PHE 38 HA PHE 38 1.307 6.987 -1.598 279 1HB PHE 38 2HB PHE 38 0.721 9.891 -0.982 280 2HB PHE 38 1HB PHE 38 -0.168 8.514 -0.346 281 HD1 PHE 38 HD1 PHE 38 0.848 7.052 1.353 282 HD2 PHE 38 HD2 PHE 38 2.872 10.502 -0.113 283 HE1 PHE 38 HE1 PHE 38 2.380 6.967 3.271 284 HE2 PHE 38 HE2 PHE 38 4.411 10.414 1.801 285 HZ PHE 38 HZ PHE 38 4.167 8.645 3.496 286 H LEU 39 H LEU 39 -1.143 7.092 -1.857 287 HA LEU 39 HA LEU 39 -1.849 8.115 -4.540 288 1HB LEU 39 1HB LEU 39 -1.475 5.688 -4.564 289 2HB LEU 39 2HB LEU 39 -2.642 5.485 -3.279 290 HG LEU 39 HG LEU 39 -4.426 6.293 -4.820 291 1HD1 LEU 39 1HD2 LEU 39 -3.077 7.616 -6.354 292 2HD1 LEU 39 2HD2 LEU 39 -3.958 6.360 -7.227 293 3HD1 LEU 39 3HD2 LEU 39 -2.237 6.160 -6.893 294 1HD2 LEU 39 1HD1 LEU 39 -3.432 4.122 -6.426 295 2HD2 LEU 39 2HD1 LEU 39 -4.781 4.154 -5.289 296 3HD2 LEU 39 3HD1 LEU 39 -3.149 3.814 -4.712 297 H THR 40 H THR 40 -3.792 9.140 -4.757 298 HA THR 40 HA THR 40 -5.302 9.683 -2.320 299 HB THR 40 HB THR 40 -5.695 10.844 -5.094 300 HG1 THR 40 HG1 THR 40 -4.040 11.596 -2.957 301 1HG2 THR 40 1HG2 THR 40 -7.070 12.444 -4.215 302 2HG2 THR 40 2HG2 THR 40 -6.407 12.285 -2.587 303 3HG2 THR 40 3HG2 THR 40 -7.513 11.061 -3.215 304 H ILE 41 H ILE 41 -7.061 8.594 -1.798 305 HA ILE 41 HA ILE 41 -8.647 7.286 -3.921 306 HB ILE 41 HB ILE 41 -8.011 6.140 -1.180 307 1HG1 ILE 41 1HG1 ILE 41 -7.152 5.117 -3.900 308 2HG1 ILE 41 2HG1 ILE 41 -6.133 6.123 -2.877 309 1HG2 ILE 41 1HG2 ILE 41 -9.602 4.977 -3.476 310 2HG2 ILE 41 2HG2 ILE 41 -10.237 5.490 -1.912 311 3HG2 ILE 41 3HG2 ILE 41 -9.146 4.108 -2.011 312 1HD1 ILE 41 1HD1 ILE 41 -6.566 4.259 -1.107 313 2HD1 ILE 41 2HD1 ILE 41 -5.365 4.027 -2.378 314 3HD1 ILE 41 3HD1 ILE 41 -6.960 3.287 -2.525 315 H HIS 42 H HIS 42 -10.889 7.189 -3.603 316 HA HIS 42 HA HIS 42 -11.931 8.883 -1.426 317 1HB HIS 42 2HB HIS 42 -13.018 8.428 -4.212 318 2HB HIS 42 1HB HIS 42 -13.905 9.263 -2.942 319 HD1 HIS 42 HD1 HIS 42 -12.243 11.323 -1.856 320 HD2 HIS 42 HD2 HIS 42 -11.805 10.203 -5.832 321 HE1 HIS 42 HE1 HIS 42 -11.113 13.267 -2.980 322 HE2 HIS 42 HE2 HIS 42 -10.969 12.614 -5.409 323 H ARG 43 H ARG 43 -13.904 8.265 -0.448 324 HA ARG 43 HA ARG 43 -14.107 5.539 0.194 325 1HB ARG 43 2HB ARG 43 -14.789 7.425 1.662 326 2HB ARG 43 1HB ARG 43 -16.163 7.719 0.610 327 1HG ARG 43 1HG ARG 43 -17.032 5.488 1.143 328 2HG ARG 43 2HG ARG 43 -15.665 5.226 2.224 329 1HD ARG 43 2HD ARG 43 -17.617 5.904 3.495 330 2HD ARG 43 1HD ARG 43 -16.373 7.148 3.574 331 HE ARG 43 HE ARG 43 -17.829 8.593 2.582 332 1HH1 ARG 43 1HH1 ARG 43 -19.000 5.344 1.938 333 2HH1 ARG 43 2HH1 ARG 43 -20.433 5.898 1.141 334 1HH2 ARG 43 1HH2 ARG 43 -19.715 9.292 1.536 335 2HH2 ARG 43 2HH2 ARG 43 -20.837 8.128 0.915 336 H GLY 44 H GLY 44 -14.986 3.904 -0.892 337 1HA GLY 44 2HA GLY 44 -16.874 2.840 -1.885 338 2HA GLY 44 1HA GLY 44 -17.397 4.397 -2.499 339 H GLN 45 H GLN 45 -14.235 4.468 -3.231 340 HA GLN 45 HA GLN 45 -14.742 3.729 -5.971 341 1HB GLN 45 1HB GLN 45 -12.293 4.819 -4.594 342 2HB GLN 45 2HB GLN 45 -12.328 4.411 -6.304 343 1HG GLN 45 1HG GLN 45 -14.292 6.000 -6.496 344 2HG GLN 45 2HG GLN 45 -13.874 6.544 -4.871 345 1HE2 GLN 45 1HE2 GLN 45 -13.555 7.302 -7.993 346 2HE2 GLN 45 2HE2 GLN 45 -12.056 8.162 -7.961 347 H VAL 46 H VAL 46 -13.552 2.253 -7.216 348 HA VAL 46 HA VAL 46 -12.872 -0.190 -5.788 349 HB VAL 46 HB VAL 46 -12.804 0.233 -8.780 350 1HG1 VAL 46 1HG1 VAL 46 -13.478 -2.261 -8.629 351 2HG1 VAL 46 2HG1 VAL 46 -12.864 -2.150 -6.978 352 3HG1 VAL 46 3HG1 VAL 46 -11.800 -1.800 -8.341 353 1HG2 VAL 46 1HG2 VAL 46 -15.061 0.653 -7.312 354 2HG2 VAL 46 2HG2 VAL 46 -15.192 -1.064 -7.691 355 3HG2 VAL 46 3HG2 VAL 46 -15.030 0.117 -8.992 356 H VAL 47 H VAL 47 -10.824 -0.698 -5.265 357 HA VAL 47 HA VAL 47 -8.636 0.481 -6.854 358 HB VAL 47 HB VAL 47 -8.502 0.001 -3.869 359 1HG1 VAL 47 1HG1 VAL 47 -6.407 1.014 -3.896 360 2HG1 VAL 47 2HG1 VAL 47 -6.674 1.749 -5.478 361 3HG1 VAL 47 3HG1 VAL 47 -6.391 0.013 -5.348 362 1HG2 VAL 47 1HG2 VAL 47 -9.808 2.114 -5.236 363 2HG2 VAL 47 2HG2 VAL 47 -8.341 2.767 -4.508 364 3HG2 VAL 47 3HG2 VAL 47 -9.528 1.934 -3.504 365 H TYR 48 H TYR 48 -7.319 -0.960 -7.731 366 HA TYR 48 HA TYR 48 -7.398 -3.739 -6.831 367 1HB TYR 48 2HB TYR 48 -6.305 -2.450 -9.340 368 2HB TYR 48 1HB TYR 48 -6.013 -4.130 -8.937 369 HD1 TYR 48 HD1 TYR 48 -7.245 -5.573 -10.191 370 HD2 TYR 48 HD2 TYR 48 -9.066 -1.914 -9.009 371 HE1 TYR 48 HE1 TYR 48 -9.308 -6.229 -11.352 372 HE2 TYR 48 HE2 TYR 48 -11.133 -2.567 -10.162 373 HH TYR 48 HH TYR 48 -12.050 -5.326 -10.884 374 H VAL 49 H VAL 49 -5.762 -4.652 -5.714 375 HA VAL 49 HA VAL 49 -3.390 -3.033 -5.163 376 HB VAL 49 HB VAL 49 -4.191 -5.682 -3.924 377 1HG1 VAL 49 1HG1 VAL 49 -2.277 -5.638 -2.786 378 2HG1 VAL 49 2HG1 VAL 49 -2.528 -3.959 -2.309 379 3HG1 VAL 49 3HG1 VAL 49 -1.751 -4.331 -3.849 380 1HG2 VAL 49 1HG2 VAL 49 -5.431 -3.207 -3.595 381 2HG2 VAL 49 2HG2 VAL 49 -4.383 -3.380 -2.186 382 3HG2 VAL 49 3HG2 VAL 49 -5.586 -4.620 -2.550 383 H PHE 50 H PHE 50 -1.470 -3.401 -6.067 384 HA PHE 50 HA PHE 50 -1.124 -5.844 -7.660 385 1HB PHE 50 2HB PHE 50 0.016 -3.074 -7.957 386 2HB PHE 50 1HB PHE 50 0.738 -4.456 -8.770 387 HD1 PHE 50 HD1 PHE 50 -2.522 -2.668 -8.406 388 HD2 PHE 50 HD2 PHE 50 -0.018 -5.097 -10.848 389 HE1 PHE 50 HE1 PHE 50 -4.109 -2.429 -10.270 390 HE2 PHE 50 HE2 PHE 50 -1.603 -4.860 -12.714 391 HZ PHE 50 HZ PHE 50 -3.651 -3.524 -12.426 392 H SER 51 H SER 51 0.374 -3.846 -5.168 393 HA SER 51 HA SER 51 2.270 -6.036 -4.690 394 1HB SER 51 2HB SER 51 4.060 -4.377 -4.211 395 2HB SER 51 1HB SER 51 3.556 -4.394 -5.899 396 HG SER 51 HG SER 51 3.766 -2.283 -4.639 397 H LYS 52 H LYS 52 2.826 -6.463 -2.630 398 HA LYS 52 HA LYS 52 1.663 -4.782 -0.496 399 1HB LYS 52 2HB LYS 52 1.892 -7.791 -0.321 400 2HB LYS 52 1HB LYS 52 1.066 -6.716 0.784 401 1HG LYS 52 1HG LYS 52 -0.640 -6.262 -0.860 402 2HG LYS 52 2HG LYS 52 0.222 -7.224 -2.057 403 1HD LYS 52 1HD LYS 52 -0.123 -9.213 -0.731 404 2HD LYS 52 2HD LYS 52 -0.873 -8.259 0.550 405 1HE LYS 52 1HE LYS 52 -1.914 -8.604 -2.259 406 2HE LYS 52 2HE LYS 52 -2.548 -9.366 -0.807 407 1HZ LYS 52 1HZ LYS 52 -3.266 -6.912 -1.867 408 2HZ LYS 52 2HZ LYS 52 -2.455 -6.588 -0.419 409 3HZ LYS 52 3HZ LYS 52 -3.801 -7.611 -0.422 410 H LEU 53 H LEU 53 3.369 -3.858 0.526 411 HA LEU 53 HA LEU 53 5.995 -4.939 0.400 412 1HB LEU 53 1HB LEU 53 4.926 -2.797 2.241 413 2HB LEU 53 2HB LEU 53 6.621 -3.138 1.941 414 HG LEU 53 HG LEU 53 4.644 -2.083 -0.097 415 1HD1 LEU 53 1HD2 LEU 53 6.079 -0.759 1.923 416 2HD1 LEU 53 2HD2 LEU 53 5.187 -0.045 0.580 417 3HD1 LEU 53 3HD2 LEU 53 6.907 -0.403 0.405 418 1HD2 LEU 53 1HD1 LEU 53 7.259 -3.311 -0.398 419 2HD2 LEU 53 2HD1 LEU 53 7.205 -1.674 -1.050 420 3HD2 LEU 53 3HD1 LEU 53 6.060 -2.888 -1.622 421 H LYS 54 H LYS 54 7.356 -5.584 2.176 422 HA LYS 54 HA LYS 54 6.000 -6.705 4.534 423 1HB LYS 54 2HB LYS 54 7.850 -8.266 2.708 424 2HB LYS 54 1HB LYS 54 7.298 -8.815 4.276 425 1HG LYS 54 1HG LYS 54 5.246 -8.088 2.265 426 2HG LYS 54 2HG LYS 54 6.143 -9.591 2.045 427 1HD LYS 54 2HD LYS 54 4.678 -8.839 4.574 428 2HD LYS 54 1HD LYS 54 4.011 -9.858 3.298 429 1HE LYS 54 1HE LYS 54 5.766 -11.488 3.626 430 2HE LYS 54 2HE LYS 54 6.541 -10.452 4.823 431 1HZ LYS 54 1HZ LYS 54 5.001 -12.390 5.570 432 2HZ LYS 54 2HZ LYS 54 3.754 -11.297 5.236 433 3HZ LYS 54 3HZ LYS 54 4.935 -10.905 6.381 434 H GLY 55 H GLY 55 7.411 -7.133 6.316 435 1HA GLY 55 2HA GLY 55 9.671 -7.172 7.223 436 2HA GLY 55 1HA GLY 55 10.087 -5.906 6.080 437 H ARG 56 H ARG 56 9.927 -3.836 6.691 438 HA ARG 56 HA ARG 56 9.214 -3.288 9.446 439 1HB ARG 56 1HB ARG 56 10.336 -1.492 7.288 440 2HB ARG 56 2HB ARG 56 10.094 -1.019 8.963 441 1HG ARG 56 1HG ARG 56 11.690 -2.721 9.681 442 2HG ARG 56 2HG ARG 56 11.928 -3.206 8.002 443 1HD ARG 56 2HD ARG 56 12.765 -0.968 7.473 444 2HD ARG 56 1HD ARG 56 12.522 -0.479 9.148 445 HE ARG 56 HE ARG 56 14.503 -1.474 9.670 446 1HH1 ARG 56 1HH1 ARG 56 13.451 -2.819 6.600 447 2HH1 ARG 56 2HH1 ARG 56 14.889 -3.761 6.393 448 1HH2 ARG 56 1HH2 ARG 56 16.377 -2.714 9.372 449 2HH2 ARG 56 2HH2 ARG 56 16.542 -3.701 7.959 450 H GLY 57 H GLY 57 7.854 -2.885 6.290 451 1HA GLY 57 1HA GLY 57 5.563 -1.471 7.499 452 2HA GLY 57 2HA GLY 57 6.227 -0.955 5.957 453 H ARG 58 H ARG 58 5.246 -4.057 7.433 454 HA ARG 58 HA ARG 58 4.327 -5.107 4.947 455 1HB ARG 58 1HB ARG 58 3.407 -6.968 6.364 456 2HB ARG 58 2HB ARG 58 5.133 -6.687 6.520 457 1HG ARG 58 2HG ARG 58 3.867 -5.117 8.481 458 2HG ARG 58 1HG ARG 58 3.125 -6.717 8.537 459 1HD ARG 58 2HD ARG 58 6.094 -6.247 8.511 460 2HD ARG 58 1HD ARG 58 5.150 -6.430 9.991 461 HE ARG 58 HE ARG 58 4.629 -8.617 8.319 462 1HH1 ARG 58 1HH1 ARG 58 7.284 -7.313 10.206 463 2HH1 ARG 58 2HH1 ARG 58 8.006 -8.864 10.473 464 1HH2 ARG 58 1HH2 ARG 58 5.591 -10.640 8.681 465 2HH2 ARG 58 2HH2 ARG 58 7.049 -10.746 9.610 466 H LEU 59 H LEU 59 2.947 -2.977 7.150 467 HA LEU 59 HA LEU 59 0.196 -3.717 6.558 468 1HB LEU 59 1HB LEU 59 1.330 -1.456 8.216 469 2HB LEU 59 2HB LEU 59 -0.375 -1.824 8.054 470 HG LEU 59 HG LEU 59 1.625 -3.761 9.216 471 1HD1 LEU 59 1HD2 LEU 59 -0.059 -1.666 10.559 472 2HD1 LEU 59 2HD2 LEU 59 1.683 -1.912 10.677 473 3HD1 LEU 59 3HD2 LEU 59 0.577 -3.074 11.410 474 1HD2 LEU 59 1HD1 LEU 59 -1.074 -4.026 8.416 475 2HD2 LEU 59 2HD1 LEU 59 -1.039 -4.063 10.179 476 3HD2 LEU 59 3HD1 LEU 59 -0.060 -5.202 9.254 477 H PHE 60 H PHE 60 2.489 -2.263 4.825 478 HA PHE 60 HA PHE 60 0.705 -0.189 3.737 479 1HB PHE 60 2HB PHE 60 3.715 -0.414 3.680 480 2HB PHE 60 1HB PHE 60 2.827 0.723 2.675 481 HD1 PHE 60 HD1 PHE 60 2.148 2.790 3.516 482 HD2 PHE 60 HD2 PHE 60 3.490 -0.221 6.211 483 HE1 PHE 60 HE1 PHE 60 2.166 4.436 5.343 484 HE2 PHE 60 HE2 PHE 60 3.504 1.422 8.042 485 HZ PHE 60 HZ PHE 60 2.842 3.753 7.609 486 H TRP 61 H TRP 61 -0.267 -0.637 1.924 487 HA TRP 61 HA TRP 61 0.918 -2.598 0.071 488 1HB TRP 61 2HB TRP 61 -1.968 -1.885 0.642 489 2HB TRP 61 1HB TRP 61 -1.484 -2.830 -0.757 490 HD1 TRP 61 HD1 TRP 61 0.757 -4.141 1.725 491 HE1 TRP 61 HE1 TRP 61 -0.188 -6.228 2.877 492 HE3 TRP 61 HE3 TRP 61 -4.160 -3.666 0.401 493 HZ2 TRP 61 HZ2 TRP 61 -2.676 -7.499 3.219 494 HZ3 TRP 61 HZ3 TRP 61 -5.752 -5.360 1.193 495 HH2 TRP 61 HH2 TRP 61 -5.034 -7.235 2.571 496 H GLY 62 H GLY 62 -0.342 -2.154 -2.247 497 1HA GLY 62 2HA GLY 62 -0.619 0.626 -2.914 498 2HA GLY 62 1HA GLY 62 0.964 -0.026 -3.422 499 H GLY 63 H GLY 63 -1.016 1.021 -5.162 500 1HA GLY 63 1HA GLY 63 -1.018 -0.841 -7.216 501 2HA GLY 63 2HA GLY 63 -2.559 -1.022 -6.392 502 H SER 64 H SER 64 -3.763 -0.319 -8.139 503 HA SER 64 HA SER 64 -3.607 2.574 -8.684 504 1HB SER 64 1HB SER 64 -4.266 2.144 -11.015 505 2HB SER 64 2HB SER 64 -2.747 1.333 -10.631 506 HG SER 64 HG SER 64 -4.017 -0.139 -11.684 507 H VAL 65 H VAL 65 -5.710 3.466 -9.524 508 HA VAL 65 HA VAL 65 -7.966 2.109 -8.191 509 HB VAL 65 HB VAL 65 -7.634 5.073 -8.723 510 1HG1 VAL 65 1HG2 VAL 65 -9.954 3.523 -8.131 511 2HG1 VAL 65 2HG2 VAL 65 -9.813 5.269 -8.333 512 3HG1 VAL 65 3HG2 VAL 65 -9.586 4.546 -6.742 513 1HG2 VAL 65 1HG1 VAL 65 -6.327 3.647 -6.821 514 2HG2 VAL 65 2HG1 VAL 65 -7.794 4.109 -5.956 515 3HG2 VAL 65 3HG1 VAL 65 -6.765 5.349 -6.671 516 H GLN 66 H GLN 66 -9.492 1.315 -9.455 517 HA GLN 66 HA GLN 66 -9.702 2.188 -12.240 518 1HB GLN 66 2HB GLN 66 -9.604 -0.239 -11.758 519 2HB GLN 66 1HB GLN 66 -11.070 -0.100 -10.798 520 1HG GLN 66 2HG GLN 66 -12.309 0.590 -12.791 521 2HG GLN 66 1HG GLN 66 -10.842 0.430 -13.756 522 1HE2 GLN 66 1HE2 GLN 66 -10.610 -1.411 -14.791 523 2HE2 GLN 66 2HE2 GLN 66 -11.356 -2.915 -14.381 524 H GLY 67 H GLY 67 -11.484 3.197 -13.087 525 1HA GLY 67 1HA GLY 67 -14.036 3.378 -12.515 526 2HA GLY 67 2HA GLY 67 -13.398 4.269 -11.142 527 H ASP 68 H ASP 68 -11.396 5.741 -12.230 528 HA ASP 68 HA ASP 68 -12.814 7.434 -14.184 529 1HB ASP 68 2HB ASP 68 -10.883 8.242 -11.998 530 2HB ASP 68 1HB ASP 68 -11.523 9.339 -13.216 531 H TYR 69 H TYR 69 -11.830 7.927 -16.045 532 HA TYR 69 HA TYR 69 -8.944 7.506 -16.306 533 1HB TYR 69 2HB TYR 69 -10.197 5.444 -17.070 534 2HB TYR 69 1HB TYR 69 -10.923 6.430 -18.331 535 HD1 TYR 69 HD1 TYR 69 -7.451 5.810 -17.020 536 HD2 TYR 69 HD2 TYR 69 -10.000 6.144 -20.414 537 HE1 TYR 69 HE1 TYR 69 -5.543 5.334 -18.494 538 HE2 TYR 69 HE2 TYR 69 -8.096 5.668 -21.895 539 HH TYR 69 HH TYR 69 -5.580 4.259 -21.264 540 H TYR 70 H TYR 70 -9.040 9.846 -16.174 541 HA TYR 70 HA TYR 70 -9.771 11.093 -18.740 542 1HB TYR 70 2HB TYR 70 -9.905 12.277 -15.963 543 2HB TYR 70 1HB TYR 70 -10.038 13.235 -17.431 544 HD1 TYR 70 HD1 TYR 70 -12.093 13.462 -18.542 545 HD2 TYR 70 HD2 TYR 70 -11.681 10.498 -15.515 546 HE1 TYR 70 HE1 TYR 70 -14.522 13.084 -18.588 547 HE2 TYR 70 HE2 TYR 70 -14.108 10.109 -15.559 548 HH TYR 70 HH TYR 70 -16.262 12.047 -16.600 549 H GLY 71 H GLY 71 -7.327 10.355 -16.549 550 1HA GLY 71 1HA GLY 71 -5.283 11.478 -18.171 551 2HA GLY 71 2HA GLY 71 -5.518 12.448 -16.724 552 H ASP 72 H ASP 72 -4.352 9.482 -18.038 553 HA ASP 72 HA ASP 72 -3.036 7.816 -17.291 554 1HB ASP 72 1HB ASP 72 -2.315 9.843 -15.169 555 2HB ASP 72 2HB ASP 72 -1.485 8.305 -15.380 556 H LEU 73 H LEU 73 -3.552 8.873 -13.963 557 HA LEU 73 HA LEU 73 -4.513 7.942 -12.156 558 1HB LEU 73 1HB LEU 73 -6.496 7.961 -14.099 559 2HB LEU 73 2HB LEU 73 -6.550 6.328 -13.475 560 HG LEU 73 HG LEU 73 -8.163 7.770 -12.342 561 1HD1 LEU 73 1HD2 LEU 73 -6.165 7.339 -10.202 562 2HD1 LEU 73 2HD2 LEU 73 -6.649 5.937 -11.157 563 3HD1 LEU 73 3HD2 LEU 73 -7.864 6.871 -10.284 564 1HD2 LEU 73 1HD1 LEU 73 -5.959 9.319 -11.055 565 2HD2 LEU 73 2HD1 LEU 73 -7.671 9.714 -11.206 566 3HD2 LEU 73 3HD1 LEU 73 -6.612 9.830 -12.611 567 H ALA 74 H ALA 74 -5.276 5.208 -14.329 568 HA ALA 74 HA ALA 74 -4.148 3.349 -12.460 569 1HB ALA 74 1HB ALA 74 -6.171 2.905 -13.866 570 2HB ALA 74 2HB ALA 74 -4.945 1.637 -13.900 571 3HB ALA 74 3HB ALA 74 -5.093 2.758 -15.255 572 H ALA 75 H ALA 75 -2.878 5.170 -15.032 573 HA ALA 75 HA ALA 75 -0.907 3.373 -16.009 574 1HB ALA 75 1HB ALA 75 0.214 5.633 -16.677 575 2HB ALA 75 2HB ALA 75 -1.325 6.326 -16.165 576 3HB ALA 75 3HB ALA 75 -1.284 5.126 -17.458 577 H ARG 76 H ARG 76 -1.008 5.695 -13.379 578 HA ARG 76 HA ARG 76 1.769 5.098 -12.668 579 1HB ARG 76 1HB ARG 76 1.559 6.957 -11.060 580 2HB ARG 76 2HB ARG 76 1.198 7.462 -12.703 581 1HG ARG 76 2HG ARG 76 -1.185 7.397 -12.224 582 2HG ARG 76 1HG ARG 76 -0.852 6.830 -10.587 583 1HD ARG 76 2HD ARG 76 0.042 9.466 -11.747 584 2HD ARG 76 1HD ARG 76 -1.327 9.239 -10.660 585 HE ARG 76 HE ARG 76 0.953 8.176 -9.437 586 1HH1 ARG 76 1HH1 ARG 76 -0.307 11.309 -10.383 587 2HH1 ARG 76 2HH1 ARG 76 0.544 12.156 -9.137 588 1HH2 ARG 76 1HH2 ARG 76 2.062 9.304 -7.810 589 2HH2 ARG 76 2HH2 ARG 76 1.885 11.022 -7.681 590 H LEU 77 H LEU 77 2.313 4.460 -10.508 591 HA LEU 77 HA LEU 77 0.125 3.042 -9.136 592 1HB LEU 77 2HB LEU 77 3.017 2.254 -9.470 593 2HB LEU 77 1HB LEU 77 1.935 1.472 -8.334 594 HG LEU 77 HG LEU 77 1.379 1.587 -11.300 595 1HD1 LEU 77 1HD1 LEU 77 3.546 0.344 -10.367 596 2HD1 LEU 77 2HD1 LEU 77 2.567 -0.301 -11.686 597 3HD1 LEU 77 3HD1 LEU 77 2.347 -0.910 -10.045 598 1HD2 LEU 77 1HD2 LEU 77 -0.595 1.117 -10.071 599 2HD2 LEU 77 2HD2 LEU 77 0.253 -0.004 -9.004 600 3HD2 LEU 77 3HD2 LEU 77 -0.015 -0.427 -10.696 601 H GLY 78 H GLY 78 -0.324 3.696 -7.167 602 1HA GLY 78 1HA GLY 78 1.731 5.224 -5.683 603 2HA GLY 78 2HA GLY 78 0.003 5.533 -5.569 604 H TYR 79 H TYR 79 1.176 5.230 -3.219 605 HA TYR 79 HA TYR 79 0.512 2.470 -2.439 606 1HB TYR 79 2HB TYR 79 2.689 4.222 -1.278 607 2HB TYR 79 1HB TYR 79 2.241 2.632 -0.654 608 HD1 TYR 79 HD1 TYR 79 4.158 4.435 -3.095 609 HD2 TYR 79 HD2 TYR 79 2.535 0.615 -2.187 610 HE1 TYR 79 HE1 TYR 79 5.665 3.426 -4.730 611 HE2 TYR 79 HE2 TYR 79 4.040 -0.420 -3.833 612 HH TYR 79 HH TYR 79 5.275 0.597 -6.083 613 H PHE 80 H PHE 80 -0.601 2.125 -0.577 614 HA PHE 80 HA PHE 80 -1.519 4.389 1.016 615 1HB PHE 80 2HB PHE 80 -3.911 3.656 0.690 616 2HB PHE 80 1HB PHE 80 -3.162 4.341 -0.749 617 HD1 PHE 80 HD1 PHE 80 -4.380 1.233 0.822 618 HD2 PHE 80 HD2 PHE 80 -2.800 3.011 -2.712 619 HE1 PHE 80 HE1 PHE 80 -4.992 -0.774 -0.460 620 HE2 PHE 80 HE2 PHE 80 -3.415 1.006 -3.995 621 HZ PHE 80 HZ PHE 80 -4.511 -0.889 -2.871 622 HA PRO 81 HA PRO 81 -1.394 1.338 4.283 623 1HB PRO 81 2HB PRO 81 -3.691 2.534 5.643 624 2HB PRO 81 1HB PRO 81 -1.997 2.509 6.136 625 1HG PRO 81 2HG PRO 81 -3.237 4.772 5.339 626 2HG PRO 81 1HG PRO 81 -1.513 4.476 5.043 627 1HD PRO 81 2HD PRO 81 -3.837 4.182 3.170 628 2HD PRO 81 1HD PRO 81 -2.232 4.883 2.871 629 H SER 82 H SER 82 -2.255 -0.642 4.659 630 HA SER 82 HA SER 82 -4.376 -1.617 3.091 631 1HB SER 82 2HB SER 82 -4.043 -3.716 4.279 632 2HB SER 82 1HB SER 82 -2.478 -2.974 3.964 633 HG SER 82 HG SER 82 -2.613 -2.123 6.143 634 H SER 83 H SER 83 -4.353 -0.097 6.174 635 HA SER 83 HA SER 83 -6.688 -1.172 7.312 636 1HB SER 83 2HB SER 83 -6.617 0.802 8.796 637 2HB SER 83 1HB SER 83 -5.046 0.015 8.645 638 HG SER 83 HG SER 83 -4.316 1.663 7.436 639 H ILE 84 H ILE 84 -6.350 1.201 4.762 640 HA ILE 84 HA ILE 84 -9.046 2.204 5.249 641 HB ILE 84 HB ILE 84 -8.725 3.727 3.385 642 1HG1 ILE 84 1HG1 ILE 84 -5.868 2.791 3.203 643 2HG1 ILE 84 2HG1 ILE 84 -7.128 2.146 2.148 644 1HG2 ILE 84 1HG2 ILE 84 -7.652 5.205 4.678 645 2HG2 ILE 84 2HG2 ILE 84 -6.241 4.168 4.887 646 3HG2 ILE 84 3HG2 ILE 84 -7.685 3.900 5.863 647 1HD1 ILE 84 1HD1 ILE 84 -5.669 4.612 1.970 648 2HD1 ILE 84 2HD1 ILE 84 -7.408 4.900 2.007 649 3HD1 ILE 84 3HD1 ILE 84 -6.717 3.832 0.786 650 H VAL 85 H VAL 85 -7.883 -0.497 3.736 651 HA VAL 85 HA VAL 85 -10.177 -0.463 1.880 652 HB VAL 85 HB VAL 85 -8.924 -1.954 0.345 653 1HG1 VAL 85 1HG1 VAL 85 -8.693 0.814 0.666 654 2HG1 VAL 85 2HG1 VAL 85 -8.416 -0.125 -0.800 655 3HG1 VAL 85 3HG1 VAL 85 -7.071 0.238 0.281 656 1HG2 VAL 85 1HG2 VAL 85 -6.343 -1.777 0.653 657 2HG2 VAL 85 2HG2 VAL 85 -7.248 -3.005 1.540 658 3HG2 VAL 85 3HG2 VAL 85 -6.748 -1.519 2.350 659 H ARG 86 H ARG 86 -11.187 -2.438 1.407 660 HA ARG 86 HA ARG 86 -10.750 -4.569 3.393 661 1HB ARG 86 1HB ARG 86 -12.763 -3.195 3.913 662 2HB ARG 86 2HB ARG 86 -13.424 -3.618 2.343 663 1HG ARG 86 1HG ARG 86 -13.474 -5.972 2.992 664 2HG ARG 86 2HG ARG 86 -12.792 -5.553 4.565 665 1HD ARG 86 1HD ARG 86 -14.752 -4.158 5.035 666 2HD ARG 86 2HD ARG 86 -15.431 -4.591 3.468 667 HE ARG 86 HE ARG 86 -15.525 -6.134 5.858 668 1HH1 ARG 86 1HH1 ARG 86 -15.422 -6.446 2.361 669 2HH1 ARG 86 2HH1 ARG 86 -16.132 -8.024 2.370 670 1HH2 ARG 86 1HH2 ARG 86 -16.456 -8.200 5.842 671 2HH2 ARG 86 2HH2 ARG 86 -16.718 -9.015 4.336 672 H GLU 87 H GLU 87 -10.120 -6.355 2.401 673 HA GLU 87 HA GLU 87 -10.494 -6.732 -0.422 674 1HB GLU 87 1HB GLU 87 -8.877 -7.945 1.703 675 2HB GLU 87 2HB GLU 87 -9.464 -9.108 0.517 676 1HG GLU 87 1HG GLU 87 -7.310 -8.355 -0.148 677 2HG GLU 87 2HG GLU 87 -8.502 -7.718 -1.270 678 H ASP 88 H ASP 88 -12.124 -7.672 -1.376 679 HA ASP 88 HA ASP 88 -13.929 -9.362 0.206 680 1HB ASP 88 1HB ASP 88 -14.398 -7.781 -2.327 681 2HB ASP 88 2HB ASP 88 -15.571 -8.905 -1.650 682 H GLN 89 H GLN 89 -12.078 -9.222 -2.815 683 HA GLN 89 HA GLN 89 -12.245 -12.147 -2.962 684 1HB GLN 89 2HB GLN 89 -14.136 -11.272 -4.320 685 2HB GLN 89 1HB GLN 89 -12.985 -10.394 -5.315 686 1HG GLN 89 1HG GLN 89 -12.107 -13.056 -5.300 687 2HG GLN 89 2HG GLN 89 -13.857 -13.120 -5.504 688 1HE2 GLN 89 1HE2 GLN 89 -10.988 -12.896 -7.088 689 2HE2 GLN 89 2HE2 GLN 89 -11.520 -12.231 -8.583 690 H THR 90 H THR 90 -10.511 -13.138 -3.890 691 HA THR 90 HA THR 90 -8.240 -11.428 -4.638 692 HB THR 90 HB THR 90 -8.219 -14.403 -4.078 693 HG1 THR 90 HG1 THR 90 -7.777 -12.234 -2.314 694 1HG2 THR 90 1HG2 THR 90 -5.944 -14.338 -3.969 695 2HG2 THR 90 2HG2 THR 90 -5.900 -12.610 -3.619 696 3HG2 THR 90 3HG2 THR 90 -6.248 -13.171 -5.255 697 H LEU 91 H LEU 91 -7.749 -11.227 -6.733 698 HA LEU 91 HA LEU 91 -9.221 -12.721 -8.722 699 1HB LEU 91 1HB LEU 91 -7.059 -10.669 -9.168 700 2HB LEU 91 2HB LEU 91 -8.301 -11.168 -10.300 701 HG LEU 91 HG LEU 91 -9.066 -9.854 -7.716 702 1HD1 LEU 91 1HD2 LEU 91 -7.579 -8.244 -8.451 703 2HD1 LEU 91 2HD2 LEU 91 -9.107 -7.719 -9.158 704 3HD1 LEU 91 3HD2 LEU 91 -7.918 -8.563 -10.152 705 1HD2 LEU 91 1HD1 LEU 91 -10.672 -8.981 -9.796 706 2HD2 LEU 91 2HD1 LEU 91 -11.074 -10.204 -8.591 707 3HD2 LEU 91 3HD1 LEU 91 -10.392 -10.687 -10.144 708 H LYS 92 H LYS 92 -5.869 -12.416 -7.704 709 HA LYS 92 HA LYS 92 -5.236 -14.952 -8.953 710 1HB LYS 92 2HB LYS 92 -4.911 -13.060 -10.671 711 2HB LYS 92 1HB LYS 92 -3.529 -12.582 -9.701 712 1HG LYS 92 2HG LYS 92 -2.250 -14.267 -10.445 713 2HG LYS 92 1HG LYS 92 -3.576 -15.426 -10.408 714 1HD LYS 92 1HD LYS 92 -3.277 -13.309 -12.539 715 2HD LYS 92 2HD LYS 92 -2.633 -14.941 -12.693 716 1HE LYS 92 2HE LYS 92 -4.891 -15.857 -12.439 717 2HE LYS 92 1HE LYS 92 -5.537 -14.224 -12.288 718 1HZ LYS 92 1HZ LYS 92 -5.213 -15.641 -14.608 719 2HZ LYS 92 2HZ LYS 92 -3.949 -14.517 -14.637 720 3HZ LYS 92 3HZ LYS 92 -5.548 -13.988 -14.482 721 HA PRO 93 HA PRO 93 -2.903 -15.458 -5.161 722 1HB PRO 93 1HB PRO 93 -1.161 -17.080 -6.972 723 2HB PRO 93 2HB PRO 93 -1.782 -17.482 -5.372 724 1HG PRO 93 1HG PRO 93 -2.926 -18.542 -7.472 725 2HG PRO 93 2HG PRO 93 -3.962 -17.835 -6.211 726 1HD PRO 93 1HD PRO 93 -3.135 -16.672 -8.854 727 2HD PRO 93 2HD PRO 93 -4.731 -16.690 -8.089 728 H GLY 94 H GLY 94 -1.378 -14.317 -4.191 729 1HA GLY 94 1HA GLY 94 0.764 -13.105 -5.828 730 2HA GLY 94 2HA GLY 94 0.094 -12.380 -4.373 731 H LYS 95 H LYS 95 2.129 -14.908 -5.644 732 HA LYS 95 HA LYS 95 3.365 -15.183 -3.002 733 1HB LYS 95 2HB LYS 95 3.792 -17.651 -3.879 734 2HB LYS 95 1HB LYS 95 2.339 -17.205 -2.998 735 1HG LYS 95 2HG LYS 95 1.078 -17.040 -5.031 736 2HG LYS 95 1HG LYS 95 2.535 -17.272 -6.000 737 1HD LYS 95 2HD LYS 95 1.313 -19.336 -5.962 738 2HD LYS 95 1HD LYS 95 2.769 -19.541 -4.989 739 1HE LYS 95 2HE LYS 95 0.866 -20.564 -3.882 740 2HE LYS 95 1HE LYS 95 1.437 -19.180 -2.951 741 1HZ LYS 95 1HZ LYS 95 -1.016 -19.324 -3.180 742 2HZ LYS 95 2HZ LYS 95 -0.847 -19.066 -4.842 743 3HZ LYS 95 3HZ LYS 95 -0.365 -17.869 -3.750 744 H VAL 96 H VAL 96 4.272 -13.503 -5.148 745 HA VAL 96 HA VAL 96 6.864 -14.797 -5.722 746 HB VAL 96 HB VAL 96 5.473 -12.765 -7.494 747 1HG1 VAL 96 1HG1 VAL 96 8.072 -14.252 -7.908 748 2HG1 VAL 96 2HG1 VAL 96 7.912 -12.535 -7.542 749 3HG1 VAL 96 3HG1 VAL 96 7.308 -13.169 -9.075 750 1HG2 VAL 96 1HG2 VAL 96 5.836 -15.740 -7.742 751 2HG2 VAL 96 2HG2 VAL 96 5.495 -14.709 -9.131 752 3HG2 VAL 96 3HG2 VAL 96 4.339 -14.808 -7.803 753 H ASP 97 H ASP 97 8.255 -13.950 -4.316 754 HA ASP 97 HA ASP 97 7.988 -11.235 -3.352 755 1HB ASP 97 2HB ASP 97 8.644 -13.183 -1.898 756 2HB ASP 97 1HB ASP 97 10.177 -13.233 -2.755 757 H VAL 98 H VAL 98 8.871 -9.531 -4.289 758 HA VAL 98 HA VAL 98 11.321 -9.862 -5.902 759 HB VAL 98 HB VAL 98 9.150 -7.823 -6.461 760 1HG1 VAL 98 1HG1 VAL 98 11.793 -7.896 -7.265 761 2HG1 VAL 98 2HG1 VAL 98 10.496 -6.965 -8.016 762 3HG1 VAL 98 3HG1 VAL 98 10.916 -8.559 -8.644 763 1HG2 VAL 98 1HG2 VAL 98 9.091 -10.598 -7.029 764 2HG2 VAL 98 2HG2 VAL 98 9.352 -9.744 -8.550 765 3HG2 VAL 98 3HG2 VAL 98 7.958 -9.349 -7.544 766 H LYS 99 H LYS 99 12.994 -8.585 -5.327 767 HA LYS 99 HA LYS 99 12.734 -6.807 -3.063 768 1HB LYS 99 2HB LYS 99 15.134 -7.336 -4.837 769 2HB LYS 99 1HB LYS 99 15.163 -6.534 -3.274 770 1HG LYS 99 2HG LYS 99 14.378 -8.634 -2.237 771 2HG LYS 99 1HG LYS 99 14.466 -9.406 -3.818 772 1HD LYS 99 2HD LYS 99 16.868 -8.034 -2.673 773 2HD LYS 99 1HD LYS 99 16.446 -9.663 -2.151 774 1HE LYS 99 2HE LYS 99 18.027 -9.878 -3.916 775 2HE LYS 99 1HE LYS 99 16.458 -10.340 -4.569 776 1HZ LYS 99 1HZ LYS 99 16.353 -8.484 -5.876 777 2HZ LYS 99 2HZ LYS 99 18.024 -8.747 -5.879 778 3HZ LYS 99 3HZ LYS 99 17.357 -7.563 -4.872 779 H THR 100 H THR 100 13.278 -4.534 -3.072 780 HA THR 100 HA THR 100 12.606 -3.233 -5.613 781 HB THR 100 HB THR 100 12.221 -1.209 -4.297 782 HG1 THR 100 HG1 THR 100 13.673 -1.320 -2.667 783 1HG2 THR 100 1HG2 THR 100 10.930 -3.678 -3.184 784 2HG2 THR 100 2HG2 THR 100 10.288 -2.544 -4.372 785 3HG2 THR 100 3HG2 THR 100 10.474 -2.048 -2.690 786 H ASP 101 H ASP 101 13.772 -1.248 -6.226 787 HA ASP 101 HA ASP 101 16.639 -1.406 -5.554 788 1HB ASP 101 2HB ASP 101 15.374 -0.692 -8.204 789 2HB ASP 101 1HB ASP 101 17.099 -0.633 -7.863 790 H LYS 102 H LYS 102 17.636 0.812 -6.657 791 HA LYS 102 HA LYS 102 16.842 2.862 -4.878 792 1HB LYS 102 1HB LYS 102 19.144 2.620 -5.465 793 2HB LYS 102 2HB LYS 102 18.779 2.802 -7.164 794 1HG LYS 102 1HG LYS 102 18.177 5.127 -6.827 795 2HG LYS 102 2HG LYS 102 18.484 4.964 -5.098 796 1HD LYS 102 2HD LYS 102 20.389 6.020 -6.109 797 2HD LYS 102 1HD LYS 102 20.845 4.385 -5.634 798 1HE LYS 102 2HE LYS 102 20.515 3.657 -7.966 799 2HE LYS 102 1HE LYS 102 20.130 5.321 -8.406 800 1HZ LYS 102 1HZ LYS 102 22.449 5.740 -7.273 801 2HZ LYS 102 2HZ LYS 102 22.333 5.285 -8.897 802 3HZ LYS 102 3HZ LYS 102 22.712 4.129 -7.722 803 H TRP 103 H TRP 103 16.242 2.277 -8.303 804 HA TRP 103 HA TRP 103 14.882 4.849 -8.547 805 1HB TRP 103 2HB TRP 103 15.389 2.770 -10.691 806 2HB TRP 103 1HB TRP 103 14.798 4.408 -10.944 807 HD1 TRP 103 HD1 TRP 103 17.981 2.435 -10.379 808 HE1 TRP 103 HE1 TRP 103 20.008 4.005 -10.567 809 HE3 TRP 103 HE3 TRP 103 15.528 6.917 -10.564 810 HZ2 TRP 103 HZ2 TRP 103 20.506 6.769 -10.737 811 HZ3 TRP 103 HZ3 TRP 103 16.858 8.982 -10.743 812 HH2 TRP 103 HH2 TRP 103 19.297 8.908 -10.835 813 H ASP 104 H ASP 104 13.474 3.607 -6.819 814 HA ASP 104 HA ASP 104 11.128 2.569 -8.263 815 1HB ASP 104 2HB ASP 104 12.332 1.604 -5.674 816 2HB ASP 104 1HB ASP 104 10.650 1.286 -6.080 817 H PHE 105 H PHE 105 12.199 4.068 -5.206 818 HA PHE 105 HA PHE 105 9.668 5.590 -5.170 819 1HB PHE 105 2HB PHE 105 11.288 5.041 -2.687 820 2HB PHE 105 1HB PHE 105 9.598 5.504 -2.812 821 HD1 PHE 105 HD1 PHE 105 8.226 3.622 -4.340 822 HD2 PHE 105 HD2 PHE 105 11.625 2.953 -1.869 823 HE1 PHE 105 HE1 PHE 105 7.586 1.263 -4.091 824 HE2 PHE 105 HE2 PHE 105 10.978 0.593 -1.617 825 HZ PHE 105 HZ PHE 105 8.963 -0.254 -2.734 826 H TYR 106 H TYR 106 11.225 6.882 -6.668 827 HA TYR 106 HA TYR 106 12.286 9.085 -5.091 828 1HB TYR 106 2HB TYR 106 14.211 7.616 -5.292 829 2HB TYR 106 1HB TYR 106 13.971 7.469 -7.020 830 HD1 TYR 106 HD1 TYR 106 16.043 8.151 -7.794 831 HD2 TYR 106 HD2 TYR 106 13.977 10.687 -5.062 832 HE1 TYR 106 HE1 TYR 106 17.705 9.914 -8.180 833 HE2 TYR 106 HE2 TYR 106 15.632 12.460 -5.460 834 HH TYR 106 HH TYR 106 18.563 11.974 -6.773 835 H CYS 107 H CYS 107 10.935 10.593 -5.900 836 HA CYS 107 HA CYS 107 10.543 10.813 -8.794 837 1HB CYS 107 2HB CYS 107 9.261 12.381 -6.552 838 2HB CYS 107 1HB CYS 107 8.832 12.489 -8.251 839 H GLN 108 HN GLN 108 12.462 11.640 -9.506 840 HA GLN 108 HA GLN 108 13.544 14.044 -8.295 841 1HB GLN 108 1HB GLN 108 14.997 12.112 -8.945 842 2HB GLN 108 2HB GLN 108 14.595 12.434 -10.628 843 1HG GLN 108 2HG GLN 108 15.519 14.740 -10.290 844 2HG GLN 108 1HG GLN 108 16.115 14.182 -8.728 845 1HE2 GLN 108 1HE2 GLN 108 18.192 13.734 -8.804 846 2HE2 GLN 108 2HE2 GLN 108 19.034 12.995 -10.120 Start of MODEL 14 1 1H MET 1 1HT MET 1 7.710 15.732 -4.000 2 2H MET 1 2HT MET 1 8.257 14.133 -3.936 3 3H MET 1 3HT MET 1 6.941 14.536 -4.919 4 HA MET 1 HA MET 1 8.685 14.340 -6.408 5 1HB MET 1 2HB MET 1 8.380 17.239 -5.588 6 2HB MET 1 1HB MET 1 9.113 16.715 -7.099 7 1HG MET 1 1HG MET 1 7.015 15.680 -7.773 8 2HG MET 1 2HG MET 1 6.276 16.167 -6.249 9 1HE MET 1 1HE MET 1 8.720 18.157 -8.673 10 2HE MET 1 2HE MET 1 7.542 19.068 -9.617 11 3HE MET 1 3HE MET 1 7.604 17.310 -9.742 12 H GLY 2 H GLY 2 10.148 13.255 -4.674 13 1HA GLY 2 2HA GLY 2 12.769 14.072 -5.060 14 2HA GLY 2 1HA GLY 2 12.270 14.774 -3.530 15 HA PRO 3 HA PRO 3 13.547 10.294 -2.896 16 1HB PRO 3 2HB PRO 3 16.076 10.839 -1.801 17 2HB PRO 3 1HB PRO 3 15.735 10.196 -3.403 18 1HG PRO 3 1HG PRO 3 16.818 12.724 -2.775 19 2HG PRO 3 2HG PRO 3 16.339 12.123 -4.367 20 1HD PRO 3 1HD PRO 3 14.936 13.966 -2.555 21 2HD PRO 3 2HD PRO 3 14.779 13.756 -4.307 22 H MET 4 H MET 4 12.825 9.441 -1.086 23 HA MET 4 HA MET 4 13.454 10.636 1.496 24 1HB MET 4 2HB MET 4 10.940 10.314 2.097 25 2HB MET 4 1HB MET 4 11.430 11.750 1.214 26 1HG MET 4 1HG MET 4 9.491 11.055 0.145 27 2HG MET 4 2HG MET 4 10.786 10.470 -0.895 28 1HE MET 4 1HE MET 4 8.228 9.809 1.724 29 2HE MET 4 2HE MET 4 9.240 8.604 2.519 30 3HE MET 4 3HE MET 4 7.825 8.096 1.595 31 HA PRO 5 HA PRO 5 13.987 6.524 3.085 32 1HB PRO 5 1HB PRO 5 12.202 6.482 5.243 33 2HB PRO 5 2HB PRO 5 13.885 7.003 5.288 34 1HG PRO 5 1HG PRO 5 11.403 8.632 5.033 35 2HG PRO 5 2HG PRO 5 12.889 8.976 5.940 36 1HD PRO 5 1HD PRO 5 12.416 10.190 3.638 37 2HD PRO 5 2HD PRO 5 14.051 9.621 4.022 38 H LYS 6 H LYS 6 13.225 4.501 2.837 39 HA LYS 6 HA LYS 6 10.635 4.185 1.548 40 1HB LYS 6 2HB LYS 6 12.801 2.131 2.040 41 2HB LYS 6 1HB LYS 6 11.426 1.963 0.958 42 1HG LYS 6 2HG LYS 6 12.300 3.747 -0.453 43 2HG LYS 6 1HG LYS 6 13.668 3.949 0.641 44 1HD LYS 6 1HD LYS 6 13.110 1.286 -0.618 45 2HD LYS 6 2HD LYS 6 13.959 2.540 -1.521 46 1HE LYS 6 1HE LYS 6 15.616 1.160 -0.524 47 2HE LYS 6 2HE LYS 6 15.596 2.674 0.378 48 1HZ LYS 6 1HZ LYS 6 15.635 0.397 1.610 49 2HZ LYS 6 2HZ LYS 6 13.965 0.434 1.343 50 3HZ LYS 6 3HZ LYS 6 14.709 1.678 2.215 51 H LEU 7 H LEU 7 9.471 2.030 2.093 52 HA LEU 7 HA LEU 7 8.962 2.029 4.974 53 1HB LEU 7 2HB LEU 7 7.443 0.530 2.829 54 2HB LEU 7 1HB LEU 7 6.952 0.757 4.489 55 HG LEU 7 HG LEU 7 5.563 2.161 3.249 56 1HD1 LEU 7 1HD1 LEU 7 6.243 3.395 5.129 57 2HD1 LEU 7 2HD1 LEU 7 6.312 4.512 3.764 58 3HD1 LEU 7 3HD1 LEU 7 7.797 3.802 4.401 59 1HD2 LEU 7 1HD2 LEU 7 7.824 3.474 1.812 60 2HD2 LEU 7 2HD2 LEU 7 6.105 3.457 1.417 61 3HD2 LEU 7 3HD2 LEU 7 7.075 1.999 1.202 62 H ALA 8 H ALA 8 9.788 -0.168 2.332 63 HA ALA 8 HA ALA 8 11.076 -1.979 4.228 64 1HB ALA 8 1HB ALA 8 9.890 -3.903 3.567 65 2HB ALA 8 2HB ALA 8 9.151 -3.079 2.194 66 3HB ALA 8 3HB ALA 8 8.656 -2.671 3.838 67 H ASP 9 H ASP 9 11.488 -4.085 2.317 68 HA ASP 9 HA ASP 9 13.158 -2.735 0.299 69 1HB ASP 9 1HB ASP 9 14.442 -3.731 2.224 70 2HB ASP 9 2HB ASP 9 13.851 -5.311 1.727 71 H ARG 10 H ARG 10 11.142 -5.526 1.092 72 HA ARG 10 HA ARG 10 10.984 -6.137 -1.790 73 1HB ARG 10 2HB ARG 10 10.911 -8.132 0.468 74 2HB ARG 10 1HB ARG 10 10.693 -8.509 -1.231 75 1HG ARG 10 1HG ARG 10 12.968 -7.805 -1.697 76 2HG ARG 10 2HG ARG 10 13.191 -7.362 -0.002 77 1HD ARG 10 1HD ARG 10 12.684 -9.725 0.601 78 2HD ARG 10 2HD ARG 10 12.683 -10.113 -1.117 79 HE ARG 10 HE ARG 10 14.954 -10.138 -1.061 80 1HH1 ARG 10 1HH1 ARG 10 13.881 -8.338 1.757 81 2HH1 ARG 10 2HH1 ARG 10 15.484 -8.133 2.376 82 1HH2 ARG 10 1HH2 ARG 10 17.043 -9.860 -0.227 83 2HH2 ARG 10 2HH2 ARG 10 17.271 -8.994 1.255 84 H LYS 11 H LYS 11 9.022 -7.189 -2.489 85 HA LYS 11 HA LYS 11 6.661 -6.702 -0.811 86 1HB LYS 11 2HB LYS 11 5.525 -5.748 -2.814 87 2HB LYS 11 1HB LYS 11 6.867 -4.768 -2.240 88 1HG LYS 11 2HG LYS 11 8.269 -6.006 -3.995 89 2HG LYS 11 1HG LYS 11 6.719 -6.496 -4.682 90 1HD LYS 11 2HD LYS 11 6.077 -4.192 -4.975 91 2HD LYS 11 1HD LYS 11 7.551 -3.652 -4.169 92 1HE LYS 11 2HE LYS 11 8.892 -4.670 -5.944 93 2HE LYS 11 1HE LYS 11 7.415 -5.196 -6.756 94 1HZ LYS 11 1HZ LYS 11 8.198 -2.376 -6.242 95 2HZ LYS 11 2HZ LYS 11 6.779 -2.876 -7.014 96 3HZ LYS 11 3HZ LYS 11 8.280 -3.168 -7.735 97 H LEU 12 H LEU 12 4.652 -7.636 -1.915 98 HA LEU 12 HA LEU 12 5.305 -10.262 -3.081 99 1HB LEU 12 2HB LEU 12 3.044 -9.386 -1.296 100 2HB LEU 12 1HB LEU 12 2.885 -10.803 -2.305 101 HG LEU 12 HG LEU 12 3.437 -11.486 -0.072 102 1HD1 LEU 12 1HD2 LEU 12 5.877 -11.778 -1.819 103 2HD1 LEU 12 2HD2 LEU 12 4.437 -12.795 -1.877 104 3HD1 LEU 12 3HD2 LEU 12 5.455 -12.789 -0.436 105 1HD2 LEU 12 1HD1 LEU 12 4.792 -10.407 1.301 106 2HD2 LEU 12 2HD1 LEU 12 4.899 -9.150 0.067 107 3HD2 LEU 12 3HD1 LEU 12 6.114 -10.427 0.134 108 H CYS 13 H CYS 13 4.635 -10.678 -5.070 109 HA CYS 13 HA CYS 13 2.414 -9.134 -6.212 110 1HB CYS 13 2HB CYS 13 5.066 -9.668 -7.574 111 2HB CYS 13 1HB CYS 13 3.659 -8.954 -8.351 112 H ALA 14 H ALA 14 1.624 -10.169 -8.290 113 HA ALA 14 HA ALA 14 1.164 -12.961 -7.806 114 1HB ALA 14 1HB ALA 14 -0.710 -11.851 -8.626 115 2HB ALA 14 2HB ALA 14 -0.116 -12.736 -10.031 116 3HB ALA 14 3HB ALA 14 0.213 -11.011 -9.872 117 H ASP 15 H ASP 15 2.978 -11.056 -10.149 118 HA ASP 15 HA ASP 15 4.332 -13.515 -11.036 119 1HB ASP 15 2HB ASP 15 3.412 -11.210 -12.771 120 2HB ASP 15 1HB ASP 15 4.530 -12.458 -13.312 121 H GLN 16 H GLN 16 6.436 -12.894 -12.252 122 HA GLN 16 HA GLN 16 8.084 -11.444 -10.448 123 1HB GLN 16 2HB GLN 16 8.800 -13.397 -11.867 124 2HB GLN 16 1HB GLN 16 8.773 -12.325 -13.259 125 1HG GLN 16 2HG GLN 16 10.496 -10.938 -12.237 126 2HG GLN 16 1HG GLN 16 10.507 -11.981 -10.820 127 1HE2 GLN 16 1HE2 GLN 16 10.060 -14.055 -13.329 128 2HE2 GLN 16 2HE2 GLN 16 11.702 -14.443 -13.682 129 H GLU 17 H GLU 17 6.183 -10.515 -13.129 130 HA GLU 17 HA GLU 17 7.670 -8.077 -13.694 131 1HB GLU 17 2HB GLU 17 4.996 -9.021 -14.755 132 2HB GLU 17 1HB GLU 17 5.903 -7.642 -15.350 133 1HG GLU 17 1HG GLU 17 7.711 -9.179 -16.027 134 2HG GLU 17 2HG GLU 17 6.709 -10.530 -15.511 135 H CYS 18 H CYS 18 5.090 -9.198 -11.729 136 HA CYS 18 HA CYS 18 3.623 -8.248 -10.293 137 1HB CYS 18 1HB CYS 18 5.848 -7.200 -9.518 138 2HB CYS 18 2HB CYS 18 5.302 -5.740 -10.334 139 H SER 19 H SER 19 3.323 -7.981 -13.134 140 HA SER 19 HA SER 19 1.999 -5.437 -13.564 141 1HB SER 19 2HB SER 19 3.386 -6.080 -15.355 142 2HB SER 19 1HB SER 19 2.768 -7.724 -15.348 143 HG SER 19 HG SER 19 1.304 -7.087 -16.706 144 H HIS 20 H HIS 20 1.186 -8.378 -12.300 145 HA HIS 20 HA HIS 20 -1.571 -8.340 -13.300 146 1HB HIS 20 2HB HIS 20 0.190 -10.424 -12.123 147 2HB HIS 20 1HB HIS 20 -1.524 -10.537 -11.762 148 HD1 HIS 20 HD1 HIS 20 -1.060 -12.847 -13.115 149 HD2 HIS 20 HD2 HIS 20 -1.152 -9.351 -15.357 150 HE1 HIS 20 HE1 HIS 20 -1.532 -13.579 -15.461 151 HE2 HIS 20 HE2 HIS 20 -1.450 -11.458 -16.832 152 HA PRO 21 HA PRO 21 -2.888 -6.864 -9.283 153 1HB PRO 21 1HB PRO 21 -5.586 -7.146 -9.639 154 2HB PRO 21 2HB PRO 21 -4.632 -5.843 -10.356 155 1HG PRO 21 1HG PRO 21 -5.933 -8.085 -11.660 156 2HG PRO 21 2HG PRO 21 -5.169 -6.665 -12.389 157 1HD PRO 21 1HD PRO 21 -4.112 -9.372 -12.065 158 2HD PRO 21 2HD PRO 21 -3.498 -8.030 -13.059 159 H ILE 22 H ILE 22 -2.670 -7.994 -7.449 160 HA ILE 22 HA ILE 22 -3.196 -10.750 -7.223 161 HB ILE 22 HB ILE 22 -2.869 -8.772 -4.955 162 1HG1 ILE 22 2HG1 ILE 22 -0.746 -10.533 -6.202 163 2HG1 ILE 22 1HG1 ILE 22 -0.996 -8.852 -6.674 164 1HG2 ILE 22 1HG2 ILE 22 -2.647 -10.535 -3.501 165 2HG2 ILE 22 2HG2 ILE 22 -2.092 -11.644 -4.754 166 3HG2 ILE 22 3HG2 ILE 22 -3.805 -11.234 -4.636 167 1HD1 ILE 22 1HD1 ILE 22 -0.660 -8.306 -4.198 168 2HD1 ILE 22 2HD1 ILE 22 0.754 -8.773 -5.146 169 3HD1 ILE 22 3HD1 ILE 22 -0.009 -9.940 -4.066 170 H SER 23 H SER 23 -4.824 -8.116 -5.408 171 HA SER 23 HA SER 23 -7.343 -9.573 -5.735 172 1HB SER 23 2HB SER 23 -6.242 -8.672 -3.064 173 2HB SER 23 1HB SER 23 -7.845 -9.357 -3.331 174 HG SER 23 HG SER 23 -6.348 -10.934 -2.628 175 H MET 24 H MET 24 -9.192 -8.371 -5.616 176 HA MET 24 HA MET 24 -8.864 -5.487 -5.931 177 1HB MET 24 2HB MET 24 -10.132 -6.846 -7.606 178 2HB MET 24 1HB MET 24 -11.324 -7.188 -6.361 179 1HG MET 24 2HG MET 24 -10.656 -4.354 -6.955 180 2HG MET 24 1HG MET 24 -11.645 -5.248 -8.098 181 1HE MET 24 1HE MET 24 -13.618 -6.537 -7.536 182 2HE MET 24 2HE MET 24 -14.899 -5.884 -6.515 183 3HE MET 24 3HE MET 24 -13.750 -7.046 -5.854 184 H ALA 25 H ALA 25 -9.296 -4.142 -4.311 185 HA ALA 25 HA ALA 25 -11.012 -5.106 -2.111 186 1HB ALA 25 1HB ALA 25 -8.326 -4.072 -2.069 187 2HB ALA 25 2HB ALA 25 -9.268 -4.807 -0.771 188 3HB ALA 25 3HB ALA 25 -9.396 -3.076 -1.082 189 H VAL 26 H VAL 26 -12.398 -3.673 -1.117 190 HA VAL 26 HA VAL 26 -13.134 -1.331 -2.741 191 HB VAL 26 HB VAL 26 -14.714 -2.633 -0.505 192 1HG1 VAL 26 1HG2 VAL 26 -15.820 -0.896 -2.688 193 2HG1 VAL 26 2HG2 VAL 26 -15.177 -0.198 -1.202 194 3HG1 VAL 26 3HG2 VAL 26 -16.538 -1.317 -1.132 195 1HG2 VAL 26 1HG1 VAL 26 -15.029 -2.996 -3.484 196 2HG2 VAL 26 2HG1 VAL 26 -16.038 -3.714 -2.229 197 3HG2 VAL 26 3HG1 VAL 26 -14.345 -4.187 -2.377 198 H ALA 27 H ALA 27 -13.104 0.743 -1.958 199 HA ALA 27 HA ALA 27 -11.575 1.243 0.442 200 1HB ALA 27 1HB ALA 27 -11.372 2.547 -1.709 201 2HB ALA 27 2HB ALA 27 -11.505 3.503 -0.231 202 3HB ALA 27 3HB ALA 27 -12.906 3.309 -1.287 203 H LEU 28 H LEU 28 -12.279 1.882 2.376 204 HA LEU 28 HA LEU 28 -15.168 2.068 2.788 205 1HB LEU 28 2HB LEU 28 -12.869 1.182 4.420 206 2HB LEU 28 1HB LEU 28 -14.174 1.973 5.287 207 HG LEU 28 HG LEU 28 -15.757 0.294 4.307 208 1HD1 LEU 28 1HD1 LEU 28 -14.905 -0.691 2.452 209 2HD1 LEU 28 2HD1 LEU 28 -14.356 -1.870 3.642 210 3HD1 LEU 28 3HD1 LEU 28 -13.246 -0.636 3.047 211 1HD2 LEU 28 1HD2 LEU 28 -15.348 -1.269 5.961 212 2HD2 LEU 28 2HD2 LEU 28 -14.507 0.160 6.565 213 3HD2 LEU 28 3HD2 LEU 28 -13.597 -1.139 5.794 214 H GLN 29 H GLN 29 -12.400 4.123 2.772 215 HA GLN 29 HA GLN 29 -14.073 6.327 3.647 216 1HB GLN 29 1HB GLN 29 -12.393 7.141 5.304 217 2HB GLN 29 2HB GLN 29 -13.231 5.672 5.778 218 1HG GLN 29 2HG GLN 29 -11.319 4.334 5.252 219 2HG GLN 29 1HG GLN 29 -10.485 5.715 4.550 220 1HE2 GLN 29 1HE2 GLN 29 -11.810 7.237 6.993 221 2HE2 GLN 29 2HE2 GLN 29 -10.670 6.942 8.248 222 H ASP 30 H ASP 30 -12.759 8.439 3.664 223 HA ASP 30 HA ASP 30 -11.571 8.725 1.056 224 1HB ASP 30 1HB ASP 30 -12.057 10.756 3.248 225 2HB ASP 30 2HB ASP 30 -11.531 11.139 1.612 226 H TYR 31 H TYR 31 -9.524 9.525 0.582 227 HA TYR 31 HA TYR 31 -7.548 9.867 2.669 228 1HB TYR 31 2HB TYR 31 -7.682 7.349 2.017 229 2HB TYR 31 1HB TYR 31 -6.929 7.859 0.514 230 HD1 TYR 31 HD1 TYR 31 -4.613 7.993 0.368 231 HD2 TYR 31 HD2 TYR 31 -6.439 8.056 4.212 232 HE1 TYR 31 HE1 TYR 31 -2.392 7.908 1.420 233 HE2 TYR 31 HE2 TYR 31 -4.224 7.970 5.273 234 HH TYR 31 HH TYR 31 -1.463 8.704 3.826 235 H MET 32 H MET 32 -5.910 11.217 2.051 236 HA MET 32 HA MET 32 -5.894 12.102 -0.763 237 1HB MET 32 2HB MET 32 -5.228 13.690 1.724 238 2HB MET 32 1HB MET 32 -5.068 14.284 0.078 239 1HG MET 32 1HG MET 32 -7.649 13.418 1.366 240 2HG MET 32 2HG MET 32 -7.100 15.079 1.197 241 1HE MET 32 1HE MET 32 -6.876 16.368 -0.983 242 2HE MET 32 2HE MET 32 -7.357 15.790 -2.577 243 3HE MET 32 3HE MET 32 -5.887 15.174 -1.823 244 H ALA 33 H ALA 33 -3.932 12.301 -1.810 245 HA ALA 33 HA ALA 33 -1.725 10.836 -0.614 246 1HB ALA 33 1HB ALA 33 -2.447 11.702 -3.363 247 2HB ALA 33 2HB ALA 33 -1.998 10.108 -2.757 248 3HB ALA 33 3HB ALA 33 -0.759 11.339 -3.003 249 HA PRO 34 HA PRO 34 0.242 14.852 0.277 250 1HB PRO 34 2HB PRO 34 2.007 13.525 2.102 251 2HB PRO 34 1HB PRO 34 0.646 14.581 2.478 252 1HG PRO 34 2HG PRO 34 0.729 11.891 3.035 253 2HG PRO 34 1HG PRO 34 -0.764 12.832 2.852 254 1HD PRO 34 2HD PRO 34 0.604 11.034 0.887 255 2HD PRO 34 1HD PRO 34 -1.131 11.236 1.218 256 H ASP 35 H ASP 35 2.185 11.852 0.141 257 HA ASP 35 HA ASP 35 4.416 13.275 -1.071 258 1HB ASP 35 2HB ASP 35 4.627 11.521 0.780 259 2HB ASP 35 1HB ASP 35 4.254 10.327 -0.454 260 H CYS 36 H CYS 36 5.515 12.281 -2.941 261 HA CYS 36 HA CYS 36 3.867 12.164 -5.201 262 1HB CYS 36 1HB CYS 36 6.130 12.916 -5.399 263 2HB CYS 36 2HB CYS 36 6.755 11.397 -4.769 264 H ARG 37 H ARG 37 5.280 9.565 -3.258 265 HA ARG 37 HA ARG 37 4.387 7.556 -5.147 266 1HB ARG 37 2HB ARG 37 5.458 5.934 -3.666 267 2HB ARG 37 1HB ARG 37 6.546 7.253 -4.073 268 1HG ARG 37 2HG ARG 37 6.266 8.241 -1.918 269 2HG ARG 37 1HG ARG 37 4.989 7.095 -1.505 270 1HD ARG 37 2HD ARG 37 6.648 5.253 -1.725 271 2HD ARG 37 1HD ARG 37 7.902 6.470 -1.973 272 HE ARG 37 HE ARG 37 7.942 6.795 0.275 273 1HH1 ARG 37 1HH1 ARG 37 4.909 5.213 -0.489 274 2HH1 ARG 37 2HH1 ARG 37 4.395 5.148 1.161 275 1HH2 ARG 37 1HH2 ARG 37 7.250 6.700 2.435 276 2HH2 ARG 37 2HH2 ARG 37 5.716 5.990 2.814 277 H PHE 38 H PHE 38 2.541 9.264 -3.224 278 HA PHE 38 HA PHE 38 1.077 6.982 -2.075 279 1HB PHE 38 2HB PHE 38 1.284 9.856 -1.348 280 2HB PHE 38 1HB PHE 38 -0.265 9.075 -1.069 281 HD1 PHE 38 HD1 PHE 38 3.389 8.508 -0.387 282 HD2 PHE 38 HD2 PHE 38 -0.631 8.066 0.945 283 HE1 PHE 38 HE1 PHE 38 4.195 7.620 1.753 284 HE2 PHE 38 HE2 PHE 38 0.178 7.172 3.086 285 HZ PHE 38 HZ PHE 38 2.593 6.950 3.493 286 H LEU 39 H LEU 39 -1.309 7.022 -2.212 287 HA LEU 39 HA LEU 39 -2.235 8.157 -4.779 288 1HB LEU 39 2HB LEU 39 -2.805 5.510 -3.481 289 2HB LEU 39 1HB LEU 39 -3.909 6.190 -4.659 290 HG LEU 39 HG LEU 39 -0.997 5.695 -5.268 291 1HD1 LEU 39 1HD1 LEU 39 -1.653 3.532 -4.871 292 2HD1 LEU 39 2HD1 LEU 39 -2.116 3.708 -6.564 293 3HD1 LEU 39 3HD1 LEU 39 -3.336 3.848 -5.297 294 1HD2 LEU 39 1HD2 LEU 39 -2.242 7.275 -6.719 295 2HD2 LEU 39 2HD2 LEU 39 -3.401 5.989 -7.069 296 3HD2 LEU 39 3HD2 LEU 39 -1.717 5.820 -7.568 297 H THR 40 H THR 40 -4.246 9.074 -4.910 298 HA THR 40 HA THR 40 -5.544 9.731 -2.363 299 HB THR 40 HB THR 40 -6.011 10.909 -5.122 300 HG1 THR 40 HG1 THR 40 -4.790 12.651 -4.329 301 1HG2 THR 40 1HG2 THR 40 -7.346 12.532 -4.208 302 2HG2 THR 40 2HG2 THR 40 -6.692 12.316 -2.583 303 3HG2 THR 40 3HG2 THR 40 -7.815 11.129 -3.249 304 H ILE 41 H ILE 41 -7.200 8.507 -1.762 305 HA ILE 41 HA ILE 41 -8.880 7.255 -3.845 306 HB ILE 41 HB ILE 41 -7.960 6.113 -1.196 307 1HG1 ILE 41 1HG1 ILE 41 -7.773 4.879 -3.941 308 2HG1 ILE 41 2HG1 ILE 41 -6.540 5.997 -3.352 309 1HG2 ILE 41 1HG2 ILE 41 -9.312 4.077 -1.949 310 2HG2 ILE 41 2HG2 ILE 41 -10.158 5.182 -3.032 311 3HG2 ILE 41 3HG2 ILE 41 -10.214 5.440 -1.287 312 1HD1 ILE 41 1HD1 ILE 41 -6.715 4.221 -1.289 313 2HD1 ILE 41 2HD1 ILE 41 -5.530 4.157 -2.595 314 3HD1 ILE 41 3HD1 ILE 41 -7.003 3.192 -2.693 315 H HIS 42 H HIS 42 -11.021 7.539 -3.729 316 HA HIS 42 HA HIS 42 -12.096 9.102 -1.503 317 1HB HIS 42 2HB HIS 42 -13.247 8.416 -4.219 318 2HB HIS 42 1HB HIS 42 -14.135 9.287 -2.981 319 HD1 HIS 42 HD1 HIS 42 -13.990 10.836 -5.399 320 HD2 HIS 42 HD2 HIS 42 -10.786 10.854 -2.749 321 HE1 HIS 42 HE1 HIS 42 -12.709 12.938 -5.903 322 HE2 HIS 42 HE2 HIS 42 -10.833 12.976 -4.225 323 H ARG 43 H ARG 43 -14.139 8.488 -0.556 324 HA ARG 43 HA ARG 43 -14.153 5.836 0.368 325 1HB ARG 43 2HB ARG 43 -15.018 7.888 1.552 326 2HB ARG 43 1HB ARG 43 -16.434 7.807 0.517 327 1HG ARG 43 1HG ARG 43 -17.079 5.703 1.448 328 2HG ARG 43 2HG ARG 43 -15.564 5.584 2.347 329 1HD ARG 43 2HD ARG 43 -17.727 7.645 2.760 330 2HD ARG 43 1HD ARG 43 -17.380 6.273 3.807 331 HE ARG 43 HE ARG 43 -15.052 7.802 3.560 332 1HH1 ARG 43 1HH1 ARG 43 -18.246 8.073 4.984 333 2HH1 ARG 43 2HH1 ARG 43 -17.724 9.153 6.232 334 1HH2 ARG 43 1HH2 ARG 43 -14.387 9.219 5.203 335 2HH2 ARG 43 2HH2 ARG 43 -15.541 9.801 6.356 336 H GLY 44 H GLY 44 -14.744 4.069 -0.700 337 1HA GLY 44 2HA GLY 44 -16.454 2.702 -1.621 338 2HA GLY 44 1HA GLY 44 -17.225 4.140 -2.264 339 H GLN 45 H GLN 45 -13.890 4.246 -2.919 340 HA GLN 45 HA GLN 45 -14.438 3.669 -5.702 341 1HB GLN 45 1HB GLN 45 -11.930 4.647 -4.324 342 2HB GLN 45 2HB GLN 45 -12.021 4.298 -6.044 343 1HG GLN 45 2HG GLN 45 -14.020 5.929 -6.041 344 2HG GLN 45 1HG GLN 45 -13.355 6.474 -4.502 345 1HE2 GLN 45 1HE2 GLN 45 -13.456 7.224 -7.623 346 2HE2 GLN 45 2HE2 GLN 45 -11.919 7.987 -7.826 347 H VAL 46 H VAL 46 -13.340 2.222 -7.006 348 HA VAL 46 HA VAL 46 -12.668 -0.300 -5.722 349 HB VAL 46 HB VAL 46 -12.777 0.404 -8.672 350 1HG1 VAL 46 1HG1 VAL 46 -13.302 -2.354 -8.053 351 2HG1 VAL 46 2HG1 VAL 46 -11.731 -1.864 -7.417 352 3HG1 VAL 46 3HG1 VAL 46 -12.093 -1.654 -9.132 353 1HG2 VAL 46 1HG2 VAL 46 -14.968 -0.638 -8.713 354 2HG2 VAL 46 2HG2 VAL 46 -14.949 0.722 -7.588 355 3HG2 VAL 46 3HG2 VAL 46 -14.881 -0.931 -6.976 356 H VAL 47 H VAL 47 -10.593 -0.775 -5.196 357 HA VAL 47 HA VAL 47 -8.454 0.490 -6.795 358 HB VAL 47 HB VAL 47 -8.180 -0.170 -3.859 359 1HG1 VAL 47 1HG1 VAL 47 -6.194 0.140 -5.542 360 2HG1 VAL 47 2HG1 VAL 47 -6.127 0.851 -3.930 361 3HG1 VAL 47 3HG1 VAL 47 -6.549 1.853 -5.319 362 1HG2 VAL 47 1HG2 VAL 47 -9.941 1.603 -4.365 363 2HG2 VAL 47 2HG2 VAL 47 -8.606 2.602 -4.940 364 3HG2 VAL 47 3HG2 VAL 47 -8.642 2.057 -3.263 365 H TYR 48 H TYR 48 -7.093 -0.859 -7.749 366 HA TYR 48 HA TYR 48 -7.195 -3.699 -7.100 367 1HB TYR 48 2HB TYR 48 -6.082 -2.150 -9.432 368 2HB TYR 48 1HB TYR 48 -5.640 -3.824 -9.172 369 HD1 TYR 48 HD1 TYR 48 -6.531 -4.712 -11.159 370 HD2 TYR 48 HD2 TYR 48 -9.065 -2.453 -8.589 371 HE1 TYR 48 HE1 TYR 48 -8.489 -5.447 -12.446 372 HE2 TYR 48 HE2 TYR 48 -11.025 -3.186 -9.873 373 HH TYR 48 HH TYR 48 -11.762 -4.691 -11.417 374 H VAL 49 H VAL 49 -5.699 -4.664 -5.878 375 HA VAL 49 HA VAL 49 -3.296 -3.189 -5.124 376 HB VAL 49 HB VAL 49 -4.226 -5.882 -4.098 377 1HG1 VAL 49 1HG1 VAL 49 -2.837 -4.824 -2.072 378 2HG1 VAL 49 2HG1 VAL 49 -1.997 -4.056 -3.419 379 3HG1 VAL 49 3HG1 VAL 49 -2.095 -5.815 -3.328 380 1HG2 VAL 49 1HG2 VAL 49 -5.913 -4.766 -3.149 381 2HG2 VAL 49 2HG2 VAL 49 -5.213 -3.197 -3.550 382 3HG2 VAL 49 3HG2 VAL 49 -4.692 -4.050 -2.097 383 H PHE 50 H PHE 50 -1.379 -3.537 -6.033 384 HA PHE 50 HA PHE 50 -1.010 -5.941 -7.677 385 1HB PHE 50 2HB PHE 50 0.135 -3.170 -7.862 386 2HB PHE 50 1HB PHE 50 0.936 -4.526 -8.643 387 HD1 PHE 50 HD1 PHE 50 -2.470 -2.971 -8.431 388 HD2 PHE 50 HD2 PHE 50 0.427 -4.980 -10.819 389 HE1 PHE 50 HE1 PHE 50 -3.925 -2.731 -10.397 390 HE2 PHE 50 HE2 PHE 50 -1.027 -4.740 -12.787 391 HZ PHE 50 HZ PHE 50 -3.205 -3.615 -12.578 392 H SER 51 H SER 51 0.503 -4.004 -5.125 393 HA SER 51 HA SER 51 2.264 -6.282 -4.568 394 1HB SER 51 2HB SER 51 4.179 -4.746 -4.195 395 2HB SER 51 1HB SER 51 3.641 -4.780 -5.872 396 HG SER 51 HG SER 51 4.043 -2.646 -4.827 397 H LYS 52 H LYS 52 2.849 -6.608 -2.468 398 HA LYS 52 HA LYS 52 1.745 -4.753 -0.447 399 1HB LYS 52 2HB LYS 52 1.899 -7.745 -0.059 400 2HB LYS 52 1HB LYS 52 1.079 -6.574 0.948 401 1HG LYS 52 1HG LYS 52 -0.572 -6.184 -0.775 402 2HG LYS 52 2HG LYS 52 0.274 -7.288 -1.863 403 1HD LYS 52 1HD LYS 52 -0.131 -9.134 -0.305 404 2HD LYS 52 2HD LYS 52 -0.975 -8.030 0.783 405 1HE LYS 52 2HE LYS 52 -2.642 -7.590 -0.953 406 2HE LYS 52 1HE LYS 52 -1.797 -8.696 -2.042 407 1HZ LYS 52 1HZ LYS 52 -2.228 -10.491 -0.464 408 2HZ LYS 52 2HZ LYS 52 -3.667 -9.788 -1.004 409 3HZ LYS 52 3HZ LYS 52 -3.077 -9.425 0.538 410 H LEU 53 H LEU 53 3.462 -3.794 0.499 411 HA LEU 53 HA LEU 53 6.077 -4.934 0.469 412 1HB LEU 53 1HB LEU 53 5.085 -2.613 2.128 413 2HB LEU 53 2HB LEU 53 6.756 -2.980 1.739 414 HG LEU 53 HG LEU 53 4.675 -2.209 -0.315 415 1HD1 LEU 53 1HD2 LEU 53 6.742 -0.260 0.093 416 2HD1 LEU 53 2HD2 LEU 53 5.890 -0.576 1.609 417 3HD1 LEU 53 3HD2 LEU 53 4.990 -0.070 0.178 418 1HD2 LEU 53 1HD1 LEU 53 7.332 -3.264 -0.523 419 2HD2 LEU 53 2HD1 LEU 53 7.279 -1.629 -1.182 420 3HD2 LEU 53 3HD1 LEU 53 6.183 -2.866 -1.802 421 H LYS 54 H LYS 54 7.420 -5.480 2.259 422 HA LYS 54 HA LYS 54 5.940 -6.558 4.590 423 1HB LYS 54 2HB LYS 54 8.543 -7.527 3.371 424 2HB LYS 54 1HB LYS 54 7.796 -8.194 4.814 425 1HG LYS 54 2HG LYS 54 5.816 -8.784 3.432 426 2HG LYS 54 1HG LYS 54 6.750 -8.310 2.011 427 1HD LYS 54 2HD LYS 54 7.711 -10.355 4.006 428 2HD LYS 54 1HD LYS 54 6.771 -10.773 2.577 429 1HE LYS 54 1HE LYS 54 9.440 -9.366 2.569 430 2HE LYS 54 2HE LYS 54 9.182 -11.075 2.218 431 1HZ LYS 54 1HZ LYS 54 7.808 -10.424 0.325 432 2HZ LYS 54 2HZ LYS 54 9.377 -9.811 0.187 433 3HZ LYS 54 3HZ LYS 54 8.110 -8.791 0.650 434 H GLY 55 H GLY 55 8.971 -7.003 5.563 435 1HA GLY 55 2HA GLY 55 10.416 -5.951 6.974 436 2HA GLY 55 1HA GLY 55 10.109 -4.502 6.035 437 H ARG 56 H ARG 56 10.101 -3.073 7.663 438 HA ARG 56 HA ARG 56 8.601 -3.442 10.079 439 1HB ARG 56 2HB ARG 56 9.338 -1.151 10.607 440 2HB ARG 56 1HB ARG 56 10.674 -2.183 10.118 441 1HG ARG 56 1HG ARG 56 10.407 -1.189 7.801 442 2HG ARG 56 2HG ARG 56 9.349 0.007 8.553 443 1HD ARG 56 2HD ARG 56 11.190 0.574 10.111 444 2HD ARG 56 1HD ARG 56 12.232 -0.533 9.218 445 HE ARG 56 HE ARG 56 11.127 1.283 7.404 446 1HH1 ARG 56 1HH1 ARG 56 13.398 1.290 10.078 447 2HH1 ARG 56 2HH1 ARG 56 14.297 2.633 9.460 448 1HH2 ARG 56 1HH2 ARG 56 12.320 3.043 6.610 449 2HH2 ARG 56 2HH2 ARG 56 13.688 3.626 7.499 450 H GLY 57 H GLY 57 7.978 -2.132 6.960 451 1HA GLY 57 1HA GLY 57 5.460 -0.922 7.915 452 2HA GLY 57 2HA GLY 57 6.324 -0.405 6.472 453 H ARG 58 H ARG 58 5.301 -3.571 7.726 454 HA ARG 58 HA ARG 58 4.605 -4.516 5.135 455 1HB ARG 58 1HB ARG 58 3.765 -6.513 6.326 456 2HB ARG 58 2HB ARG 58 5.414 -6.092 6.733 457 1HG ARG 58 2HG ARG 58 4.597 -5.064 8.797 458 2HG ARG 58 1HG ARG 58 2.962 -5.579 8.392 459 1HD ARG 58 2HD ARG 58 3.697 -7.899 8.374 460 2HD ARG 58 1HD ARG 58 5.340 -7.393 8.746 461 HE ARG 58 HE ARG 58 3.196 -7.741 10.591 462 1HH1 ARG 58 1HH1 ARG 58 6.106 -5.849 10.052 463 2HH1 ARG 58 2HH1 ARG 58 6.311 -5.478 11.730 464 1HH2 ARG 58 1HH2 ARG 58 3.488 -7.242 12.783 465 2HH2 ARG 58 2HH2 ARG 58 4.832 -6.267 13.274 466 H LEU 59 H LEU 59 2.978 -2.471 7.171 467 HA LEU 59 HA LEU 59 0.300 -3.391 6.524 468 1HB LEU 59 1HB LEU 59 1.248 -0.930 8.003 469 2HB LEU 59 2HB LEU 59 -0.428 -1.404 7.817 470 HG LEU 59 HG LEU 59 1.634 -3.085 9.250 471 1HD1 LEU 59 1HD1 LEU 59 -0.501 -1.550 10.654 472 2HD1 LEU 59 2HD1 LEU 59 0.995 -0.735 10.201 473 3HD1 LEU 59 3HD1 LEU 59 1.045 -2.144 11.261 474 1HD2 LEU 59 1HD2 LEU 59 0.059 -4.653 9.171 475 2HD2 LEU 59 2HD2 LEU 59 -1.080 -3.544 8.408 476 3HD2 LEU 59 3HD2 LEU 59 -0.956 -3.610 10.166 477 H PHE 60 H PHE 60 2.659 -1.777 4.904 478 HA PHE 60 HA PHE 60 0.859 0.089 3.553 479 1HB PHE 60 2HB PHE 60 3.863 -0.195 3.531 480 2HB PHE 60 1HB PHE 60 3.003 0.862 2.419 481 HD1 PHE 60 HD1 PHE 60 2.412 3.018 3.049 482 HD2 PHE 60 HD2 PHE 60 3.574 0.223 6.045 483 HE1 PHE 60 HE1 PHE 60 2.452 4.825 4.717 484 HE2 PHE 60 HE2 PHE 60 3.611 2.027 7.717 485 HZ PHE 60 HZ PHE 60 3.050 4.331 7.054 486 H TRP 61 H TRP 61 -0.109 -0.468 1.791 487 HA TRP 61 HA TRP 61 0.964 -2.637 0.126 488 1HB TRP 61 1HB TRP 61 -1.824 -1.627 0.644 489 2HB TRP 61 2HB TRP 61 -1.471 -2.563 -0.801 490 HD1 TRP 61 HD1 TRP 61 0.620 -4.024 1.840 491 HE1 TRP 61 HE1 TRP 61 -0.489 -6.103 2.855 492 HE3 TRP 61 HE3 TRP 61 -4.129 -3.395 0.028 493 HZ2 TRP 61 HZ2 TRP 61 -3.032 -7.310 2.913 494 HZ3 TRP 61 HZ3 TRP 61 -5.838 -5.059 0.622 495 HH2 TRP 61 HH2 TRP 61 -5.299 -6.975 2.034 496 H GLY 62 H GLY 62 -0.164 -2.245 -2.270 497 1HA GLY 62 2HA GLY 62 -0.060 0.491 -3.149 498 2HA GLY 62 1HA GLY 62 1.422 -0.416 -3.566 499 H GLY 63 H GLY 63 -0.154 0.695 -5.514 500 1HA GLY 63 1HA GLY 63 -0.414 -1.151 -7.450 501 2HA GLY 63 2HA GLY 63 -1.944 -1.304 -6.599 502 H SER 64 H SER 64 -3.233 -0.559 -8.235 503 HA SER 64 HA SER 64 -2.960 2.305 -8.880 504 1HB SER 64 1HB SER 64 -3.799 1.865 -11.135 505 2HB SER 64 2HB SER 64 -2.341 0.917 -10.839 506 HG SER 64 HG SER 64 -3.767 -0.492 -11.710 507 H VAL 65 H VAL 65 -5.061 3.317 -9.525 508 HA VAL 65 HA VAL 65 -7.282 2.038 -8.078 509 HB VAL 65 HB VAL 65 -6.522 3.962 -6.837 510 1HG1 VAL 65 1HG1 VAL 65 -7.133 6.235 -8.234 511 2HG1 VAL 65 2HG1 VAL 65 -6.389 5.217 -9.467 512 3HG1 VAL 65 3HG1 VAL 65 -5.512 5.590 -7.983 513 1HG2 VAL 65 1HG2 VAL 65 -8.634 4.316 -6.274 514 2HG2 VAL 65 2HG2 VAL 65 -9.165 3.656 -7.822 515 3HG2 VAL 65 3HG2 VAL 65 -8.833 5.383 -7.665 516 H GLN 66 H GLN 66 -9.129 1.714 -9.058 517 HA GLN 66 HA GLN 66 -9.430 2.388 -11.862 518 1HB GLN 66 2HB GLN 66 -10.957 0.676 -9.919 519 2HB GLN 66 1HB GLN 66 -11.635 1.080 -11.490 520 1HG GLN 66 2HG GLN 66 -8.907 -0.098 -11.283 521 2HG GLN 66 1HG GLN 66 -10.334 -1.122 -11.166 522 1HE2 GLN 66 1HE2 GLN 66 -11.422 1.182 -13.153 523 2HE2 GLN 66 2HE2 GLN 66 -10.940 0.531 -14.673 524 H GLY 67 H GLY 67 -11.621 3.127 -12.629 525 1HA GLY 67 1HA GLY 67 -13.569 4.419 -12.373 526 2HA GLY 67 2HA GLY 67 -13.029 4.881 -10.768 527 H ASP 68 H ASP 68 -13.461 5.876 -13.890 528 HA ASP 68 HA ASP 68 -13.058 7.762 -15.061 529 1HB ASP 68 2HB ASP 68 -12.248 8.828 -12.352 530 2HB ASP 68 1HB ASP 68 -12.427 9.827 -13.789 531 H TYR 69 H TYR 69 -11.543 7.553 -16.536 532 HA TYR 69 HA TYR 69 -8.715 7.685 -15.726 533 1HB TYR 69 2HB TYR 69 -10.040 6.424 -18.130 534 2HB TYR 69 1HB TYR 69 -8.314 6.749 -18.083 535 HD1 TYR 69 HD1 TYR 69 -10.924 5.037 -15.980 536 HD2 TYR 69 HD2 TYR 69 -6.932 5.047 -17.458 537 HE1 TYR 69 HE1 TYR 69 -10.520 2.867 -14.895 538 HE2 TYR 69 HE2 TYR 69 -6.521 2.881 -16.377 539 HH TYR 69 HH TYR 69 -8.626 0.828 -15.510 540 H TYR 70 H TYR 70 -8.358 9.858 -15.697 541 HA TYR 70 HA TYR 70 -9.184 11.485 -17.962 542 1HB TYR 70 1HB TYR 70 -8.237 13.388 -16.599 543 2HB TYR 70 2HB TYR 70 -9.586 12.534 -15.868 544 HD1 TYR 70 HD1 TYR 70 -9.414 11.649 -13.714 545 HD2 TYR 70 HD2 TYR 70 -5.864 12.819 -15.754 546 HE1 TYR 70 HE1 TYR 70 -8.127 11.352 -11.641 547 HE2 TYR 70 HE2 TYR 70 -4.571 12.516 -13.686 548 HH TYR 70 HH TYR 70 -4.881 11.071 -11.513 549 H GLY 71 H GLY 71 -6.551 9.609 -17.198 550 1HA GLY 71 2HA GLY 71 -5.035 9.889 -19.361 551 2HA GLY 71 1HA GLY 71 -4.560 11.323 -18.465 552 H ASP 72 H ASP 72 -3.365 11.116 -16.564 553 HA ASP 72 HA ASP 72 -1.891 8.604 -16.365 554 1HB ASP 72 2HB ASP 72 -1.367 11.317 -15.130 555 2HB ASP 72 1HB ASP 72 -0.327 9.912 -14.939 556 H LEU 73 H LEU 73 -2.921 7.158 -15.122 557 HA LEU 73 HA LEU 73 -3.306 7.784 -12.317 558 1HB LEU 73 2HB LEU 73 -5.464 8.316 -13.553 559 2HB LEU 73 1HB LEU 73 -5.604 6.592 -13.837 560 HG LEU 73 HG LEU 73 -5.541 6.255 -11.346 561 1HD1 LEU 73 1HD1 LEU 73 -5.041 7.939 -9.988 562 2HD1 LEU 73 2HD1 LEU 73 -6.437 8.842 -10.577 563 3HD1 LEU 73 3HD1 LEU 73 -4.874 9.013 -11.378 564 1HD2 LEU 73 1HD2 LEU 73 -7.875 7.599 -11.174 565 2HD2 LEU 73 2HD2 LEU 73 -7.679 6.034 -11.962 566 3HD2 LEU 73 3HD2 LEU 73 -7.661 7.512 -12.920 567 H ALA 74 H ALA 74 -3.857 5.333 -14.839 568 HA ALA 74 HA ALA 74 -3.128 3.219 -12.957 569 1HB ALA 74 1HB ALA 74 -4.774 3.373 -15.345 570 2HB ALA 74 2HB ALA 74 -4.790 2.197 -14.027 571 3HB ALA 74 3HB ALA 74 -3.665 1.999 -15.371 572 H ALA 75 H ALA 75 -1.745 5.116 -15.420 573 HA ALA 75 HA ALA 75 0.167 3.275 -16.445 574 1HB ALA 75 1HB ALA 75 1.359 5.589 -16.961 575 2HB ALA 75 2HB ALA 75 -0.244 6.214 -16.575 576 3HB ALA 75 3HB ALA 75 -0.045 5.039 -17.876 577 H ARG 76 H ARG 76 0.089 5.510 -13.751 578 HA ARG 76 HA ARG 76 2.800 4.694 -12.973 579 1HB ARG 76 2HB ARG 76 2.715 6.660 -11.414 580 2HB ARG 76 1HB ARG 76 2.658 7.078 -13.118 581 1HG ARG 76 2HG ARG 76 1.034 8.464 -12.383 582 2HG ARG 76 1HG ARG 76 0.039 7.034 -12.644 583 1HD ARG 76 2HD ARG 76 -0.477 8.030 -10.493 584 2HD ARG 76 1HD ARG 76 0.275 6.453 -10.265 585 HE ARG 76 HE ARG 76 1.970 7.483 -9.144 586 1HH1 ARG 76 1HH1 ARG 76 0.346 9.948 -11.049 587 2HH1 ARG 76 2HH1 ARG 76 1.313 11.234 -10.414 588 1HH2 ARG 76 1HH2 ARG 76 3.219 9.187 -8.326 589 2HH2 ARG 76 2HH2 ARG 76 2.937 10.806 -8.875 590 H LEU 77 H LEU 77 3.209 3.948 -10.870 591 HA LEU 77 HA LEU 77 0.827 2.873 -9.521 592 1HB LEU 77 1HB LEU 77 3.648 1.835 -9.695 593 2HB LEU 77 2HB LEU 77 2.479 1.205 -8.552 594 HG LEU 77 HG LEU 77 1.977 1.222 -11.528 595 1HD1 LEU 77 1HD1 LEU 77 4.050 -0.116 -10.562 596 2HD1 LEU 77 2HD1 LEU 77 2.999 -0.789 -11.810 597 3HD1 LEU 77 3HD1 LEU 77 2.783 -1.263 -10.126 598 1HD2 LEU 77 1HD2 LEU 77 -0.056 0.869 -10.488 599 2HD2 LEU 77 2HD2 LEU 77 0.671 0.005 -9.130 600 3HD2 LEU 77 3HD2 LEU 77 0.532 -0.779 -10.705 601 H GLY 78 H GLY 78 0.409 3.332 -7.470 602 1HA GLY 78 2HA GLY 78 2.445 4.848 -5.946 603 2HA GLY 78 1HA GLY 78 0.734 5.254 -5.911 604 H TYR 79 H TYR 79 1.191 5.013 -3.528 605 HA TYR 79 HA TYR 79 0.692 2.224 -2.742 606 1HB TYR 79 2HB TYR 79 2.451 4.153 -1.202 607 2HB TYR 79 1HB TYR 79 2.071 2.497 -0.738 608 HD1 TYR 79 HD1 TYR 79 4.570 4.462 -1.998 609 HD2 TYR 79 HD2 TYR 79 2.636 0.770 -2.840 610 HE1 TYR 79 HE1 TYR 79 6.560 3.710 -3.220 611 HE2 TYR 79 HE2 TYR 79 4.616 0.003 -4.077 612 HH TYR 79 HH TYR 79 6.606 1.282 -5.342 613 H PHE 80 H PHE 80 -0.446 1.951 -0.740 614 HA PHE 80 HA PHE 80 -1.766 4.229 0.458 615 1HB PHE 80 2HB PHE 80 -4.062 3.264 0.030 616 2HB PHE 80 1HB PHE 80 -3.263 3.919 -1.397 617 HD1 PHE 80 HD1 PHE 80 -4.297 0.806 0.311 618 HD2 PHE 80 HD2 PHE 80 -2.702 2.527 -3.243 619 HE1 PHE 80 HE1 PHE 80 -4.653 -1.319 -0.876 620 HE2 PHE 80 HE2 PHE 80 -3.059 0.405 -4.432 621 HZ PHE 80 HZ PHE 80 -4.035 -1.520 -3.250 622 HA PRO 81 HA PRO 81 -1.577 1.454 3.951 623 1HB PRO 81 2HB PRO 81 -3.842 2.767 5.233 624 2HB PRO 81 1HB PRO 81 -2.135 2.817 5.676 625 1HG PRO 81 2HG PRO 81 -3.448 4.965 4.684 626 2HG PRO 81 1HG PRO 81 -1.721 4.680 4.398 627 1HD PRO 81 2HD PRO 81 -4.054 4.146 2.589 628 2HD PRO 81 1HD PRO 81 -2.470 4.855 2.205 629 H SER 82 H SER 82 -2.393 -0.511 4.403 630 HA SER 82 HA SER 82 -4.629 -1.537 3.020 631 1HB SER 82 2HB SER 82 -4.240 -3.588 4.319 632 2HB SER 82 1HB SER 82 -2.722 -2.925 3.718 633 HG SER 82 HG SER 82 -3.564 -3.290 6.285 634 H SER 83 H SER 83 -4.369 0.118 6.009 635 HA SER 83 HA SER 83 -6.592 -0.931 7.386 636 1HB SER 83 2HB SER 83 -6.425 1.111 8.768 637 2HB SER 83 1HB SER 83 -4.860 0.333 8.530 638 HG SER 83 HG SER 83 -4.323 1.896 7.045 639 H ILE 84 H ILE 84 -6.470 1.260 4.685 640 HA ILE 84 HA ILE 84 -9.159 2.245 5.295 641 HB ILE 84 HB ILE 84 -8.942 3.816 3.498 642 1HG1 ILE 84 1HG1 ILE 84 -6.153 2.794 2.979 643 2HG1 ILE 84 2HG1 ILE 84 -7.547 2.255 2.042 644 1HG2 ILE 84 1HG2 ILE 84 -7.505 5.259 4.554 645 2HG2 ILE 84 2HG2 ILE 84 -6.303 4.009 4.871 646 3HG2 ILE 84 3HG2 ILE 84 -7.786 4.068 5.824 647 1HD1 ILE 84 1HD1 ILE 84 -7.719 5.012 2.019 648 2HD1 ILE 84 2HD1 ILE 84 -7.172 3.971 0.703 649 3HD1 ILE 84 3HD1 ILE 84 -6.001 4.671 1.820 650 H VAL 85 H VAL 85 -7.899 -0.400 3.734 651 HA VAL 85 HA VAL 85 -10.224 -0.490 1.915 652 HB VAL 85 HB VAL 85 -8.994 -1.935 0.397 653 1HG1 VAL 85 1HG1 VAL 85 -7.411 0.549 1.032 654 2HG1 VAL 85 2HG1 VAL 85 -8.879 0.484 0.058 655 3HG1 VAL 85 3HG1 VAL 85 -7.414 -0.326 -0.499 656 1HG2 VAL 85 1HG2 VAL 85 -7.436 -3.198 1.474 657 2HG2 VAL 85 2HG2 VAL 85 -6.945 -1.881 2.543 658 3HG2 VAL 85 3HG2 VAL 85 -6.375 -1.919 0.875 659 H ARG 86 H ARG 86 -11.012 -2.645 1.387 660 HA ARG 86 HA ARG 86 -10.588 -4.643 3.491 661 1HB ARG 86 1HB ARG 86 -12.625 -3.322 4.036 662 2HB ARG 86 2HB ARG 86 -13.308 -3.784 2.484 663 1HG ARG 86 1HG ARG 86 -13.270 -6.132 3.164 664 2HG ARG 86 2HG ARG 86 -12.584 -5.667 4.722 665 1HD ARG 86 1HD ARG 86 -14.575 -4.346 5.213 666 2HD ARG 86 2HD ARG 86 -15.256 -4.780 3.647 667 HE ARG 86 HE ARG 86 -14.654 -7.137 5.025 668 1HH1 ARG 86 1HH1 ARG 86 -16.891 -4.446 5.265 669 2HH1 ARG 86 2HH1 ARG 86 -18.112 -5.383 6.057 670 1HH2 ARG 86 1HH2 ARG 86 -16.267 -8.349 6.064 671 2HH2 ARG 86 2HH2 ARG 86 -17.759 -7.591 6.509 672 H GLU 87 H GLU 87 -9.913 -6.412 2.524 673 HA GLU 87 HA GLU 87 -10.352 -6.881 -0.277 674 1HB GLU 87 1HB GLU 87 -8.906 -8.400 1.879 675 2HB GLU 87 2HB GLU 87 -9.088 -9.043 0.255 676 1HG GLU 87 2HG GLU 87 -7.792 -6.408 0.903 677 2HG GLU 87 1HG GLU 87 -6.919 -7.923 0.694 678 H ASP 88 H ASP 88 -11.499 -8.520 -1.239 679 HA ASP 88 HA ASP 88 -13.103 -10.293 0.415 680 1HB ASP 88 2HB ASP 88 -15.205 -9.683 -0.719 681 2HB ASP 88 1HB ASP 88 -14.538 -8.336 0.197 682 H GLN 89 H GLN 89 -11.868 -9.356 -2.744 683 HA GLN 89 HA GLN 89 -12.218 -12.161 -3.602 684 1HB GLN 89 2HB GLN 89 -13.865 -10.286 -4.544 685 2HB GLN 89 1HB GLN 89 -12.528 -10.024 -5.653 686 1HG GLN 89 1HG GLN 89 -13.791 -12.713 -5.212 687 2HG GLN 89 2HG GLN 89 -14.345 -11.576 -6.437 688 1HE2 GLN 89 1HE2 GLN 89 -12.494 -14.216 -5.952 689 2HE2 GLN 89 2HE2 GLN 89 -11.384 -14.056 -7.269 690 H THR 90 H THR 90 -10.586 -13.045 -4.798 691 HA THR 90 HA THR 90 -8.171 -11.398 -5.208 692 HB THR 90 HB THR 90 -8.407 -14.407 -4.960 693 HG1 THR 90 HG1 THR 90 -8.796 -13.495 -2.977 694 1HG2 THR 90 1HG2 THR 90 -6.329 -13.109 -6.111 695 2HG2 THR 90 2HG2 THR 90 -6.207 -14.652 -5.267 696 3HG2 THR 90 3HG2 THR 90 -5.823 -13.152 -4.423 697 H LEU 91 H LEU 91 -7.615 -10.945 -7.243 698 HA LEU 91 HA LEU 91 -9.051 -12.164 -9.450 699 1HB LEU 91 1HB LEU 91 -6.930 -10.023 -9.541 700 2HB LEU 91 2HB LEU 91 -8.080 -10.421 -10.801 701 HG LEU 91 HG LEU 91 -8.897 -9.329 -8.110 702 1HD1 LEU 91 1HD2 LEU 91 -7.692 -7.549 -8.921 703 2HD1 LEU 91 2HD2 LEU 91 -9.292 -7.227 -9.590 704 3HD1 LEU 91 3HD2 LEU 91 -8.040 -7.943 -10.605 705 1HD2 LEU 91 1HD1 LEU 91 -10.921 -8.653 -9.518 706 2HD2 LEU 91 2HD1 LEU 91 -10.755 -10.355 -9.076 707 3HD2 LEU 91 3HD1 LEU 91 -10.322 -9.818 -10.700 708 H LYS 92 H LYS 92 -5.953 -12.398 -7.973 709 HA LYS 92 HA LYS 92 -5.162 -14.602 -9.594 710 1HB LYS 92 2HB LYS 92 -4.602 -12.716 -11.128 711 2HB LYS 92 1HB LYS 92 -3.531 -12.057 -9.906 712 1HG LYS 92 2HG LYS 92 -1.903 -13.224 -10.879 713 2HG LYS 92 1HG LYS 92 -2.652 -14.667 -10.201 714 1HD LYS 92 2HD LYS 92 -3.318 -13.518 -12.917 715 2HD LYS 92 1HD LYS 92 -2.162 -14.817 -12.644 716 1HE LYS 92 2HE LYS 92 -3.935 -16.210 -11.693 717 2HE LYS 92 1HE LYS 92 -5.100 -14.914 -11.959 718 1HZ LYS 92 1HZ LYS 92 -4.351 -15.091 -14.390 719 2HZ LYS 92 2HZ LYS 92 -5.383 -16.285 -13.783 720 3HZ LYS 92 3HZ LYS 92 -3.731 -16.603 -13.952 721 HA PRO 93 HA PRO 93 -3.294 -15.421 -5.590 722 1HB PRO 93 2HB PRO 93 -1.411 -17.189 -6.955 723 2HB PRO 93 1HB PRO 93 -2.609 -17.565 -5.729 724 1HG PRO 93 1HG PRO 93 -2.802 -18.225 -8.393 725 2HG PRO 93 2HG PRO 93 -4.147 -18.165 -7.244 726 1HD PRO 93 1HD PRO 93 -3.536 -16.384 -9.456 727 2HD PRO 93 2HD PRO 93 -5.010 -16.525 -8.489 728 H GLY 94 H GLY 94 -1.905 -14.126 -4.610 729 1HA GLY 94 1HA GLY 94 0.515 -13.233 -6.045 730 2HA GLY 94 2HA GLY 94 -0.249 -12.374 -4.710 731 H LYS 95 H LYS 95 1.868 -14.946 -5.634 732 HA LYS 95 HA LYS 95 2.809 -15.150 -2.877 733 1HB LYS 95 1HB LYS 95 3.050 -17.710 -3.422 734 2HB LYS 95 2HB LYS 95 1.533 -17.053 -2.820 735 1HG LYS 95 2HG LYS 95 0.762 -16.870 -5.183 736 2HG LYS 95 1HG LYS 95 2.226 -17.717 -5.670 737 1HD LYS 95 2HD LYS 95 0.501 -19.341 -5.583 738 2HD LYS 95 1HD LYS 95 1.501 -19.606 -4.156 739 1HE LYS 95 2HE LYS 95 -1.019 -17.957 -4.089 740 2HE LYS 95 1HE LYS 95 -1.032 -19.704 -3.857 741 1HZ LYS 95 1HZ LYS 95 -0.820 -19.085 -1.713 742 2HZ LYS 95 2HZ LYS 95 -0.100 -17.599 -2.077 743 3HZ LYS 95 3HZ LYS 95 0.826 -19.014 -2.101 744 H VAL 96 H VAL 96 3.934 -13.793 -5.160 745 HA VAL 96 HA VAL 96 6.453 -15.306 -5.445 746 HB VAL 96 HB VAL 96 5.291 -13.377 -7.476 747 1HG1 VAL 96 1HG1 VAL 96 7.165 -14.499 -8.891 748 2HG1 VAL 96 2HG1 VAL 96 7.879 -14.871 -7.321 749 3HG1 VAL 96 3HG1 VAL 96 7.578 -13.194 -7.778 750 1HG2 VAL 96 1HG2 VAL 96 4.345 -15.839 -7.106 751 2HG2 VAL 96 2HG2 VAL 96 5.735 -16.240 -8.114 752 3HG2 VAL 96 3HG2 VAL 96 4.507 -15.123 -8.710 753 H ASP 97 H ASP 97 7.935 -14.399 -4.185 754 HA ASP 97 HA ASP 97 7.774 -11.658 -3.330 755 1HB ASP 97 2HB ASP 97 8.567 -13.544 -1.879 756 2HB ASP 97 1HB ASP 97 10.009 -13.648 -2.877 757 H VAL 98 H VAL 98 8.508 -9.984 -4.421 758 HA VAL 98 HA VAL 98 10.879 -10.298 -6.151 759 HB VAL 98 HB VAL 98 8.604 -8.389 -6.736 760 1HG1 VAL 98 1HG1 VAL 98 11.193 -8.438 -7.675 761 2HG1 VAL 98 2HG1 VAL 98 9.826 -7.635 -8.447 762 3HG1 VAL 98 3HG1 VAL 98 10.287 -9.263 -8.944 763 1HG2 VAL 98 1HG2 VAL 98 8.664 -11.220 -7.150 764 2HG2 VAL 98 2HG2 VAL 98 8.679 -10.395 -8.709 765 3HG2 VAL 98 3HG2 VAL 98 7.393 -10.062 -7.547 766 H LYS 99 H LYS 99 12.488 -8.862 -5.797 767 HA LYS 99 HA LYS 99 12.349 -7.074 -3.556 768 1HB LYS 99 1HB LYS 99 14.523 -7.254 -5.655 769 2HB LYS 99 2HB LYS 99 14.668 -6.591 -4.037 770 1HG LYS 99 2HG LYS 99 14.483 -8.733 -3.046 771 2HG LYS 99 1HG LYS 99 14.057 -9.478 -4.589 772 1HD LYS 99 2HD LYS 99 16.293 -8.790 -5.456 773 2HD LYS 99 1HD LYS 99 16.700 -8.231 -3.833 774 1HE LYS 99 2HE LYS 99 15.918 -11.056 -4.546 775 2HE LYS 99 1HE LYS 99 17.574 -10.491 -4.342 776 1HZ LYS 99 1HZ LYS 99 17.206 -11.250 -2.262 777 2HZ LYS 99 2HZ LYS 99 15.532 -11.022 -2.334 778 3HZ LYS 99 3HZ LYS 99 16.552 -9.705 -2.043 779 H THR 100 H THR 100 12.929 -4.737 -3.692 780 HA THR 100 HA THR 100 11.651 -3.494 -6.033 781 HB THR 100 HB THR 100 11.353 -1.500 -4.669 782 HG1 THR 100 HG1 THR 100 12.917 -1.282 -3.259 783 1HG2 THR 100 1HG2 THR 100 9.573 -2.261 -3.590 784 2HG2 THR 100 2HG2 THR 100 10.537 -3.325 -2.566 785 3HG2 THR 100 3HG2 THR 100 10.037 -3.860 -4.170 786 H ASP 101 H ASP 101 12.568 -1.304 -6.645 787 HA ASP 101 HA ASP 101 15.515 -1.391 -6.627 788 1HB ASP 101 2HB ASP 101 13.683 -0.461 -8.845 789 2HB ASP 101 1HB ASP 101 15.439 -0.357 -8.876 790 H LYS 102 H LYS 102 16.300 0.953 -7.491 791 HA LYS 102 HA LYS 102 15.487 2.767 -5.418 792 1HB LYS 102 2HB LYS 102 17.217 4.267 -6.304 793 2HB LYS 102 1HB LYS 102 17.838 2.645 -6.047 794 1HG LYS 102 2HG LYS 102 17.892 2.186 -8.361 795 2HG LYS 102 1HG LYS 102 16.903 3.595 -8.740 796 1HD LYS 102 2HD LYS 102 19.653 3.783 -7.521 797 2HD LYS 102 1HD LYS 102 19.359 3.818 -9.259 798 1HE LYS 102 2HE LYS 102 17.934 5.804 -8.968 799 2HE LYS 102 1HE LYS 102 18.251 5.768 -7.233 800 1HZ LYS 102 1HZ LYS 102 20.546 6.217 -7.621 801 2HZ LYS 102 2HZ LYS 102 19.649 7.361 -8.486 802 3HZ LYS 102 3HZ LYS 102 20.365 6.060 -9.296 803 H TRP 103 H TRP 103 14.770 2.358 -8.795 804 HA TRP 103 HA TRP 103 13.763 4.998 -9.247 805 1HB TRP 103 2HB TRP 103 13.243 2.457 -10.809 806 2HB TRP 103 1HB TRP 103 12.877 4.088 -11.353 807 HD1 TRP 103 HD1 TRP 103 15.811 1.694 -10.839 808 HE1 TRP 103 HE1 TRP 103 17.865 2.616 -12.083 809 HE3 TRP 103 HE3 TRP 103 13.957 6.265 -12.201 810 HZ2 TRP 103 HZ2 TRP 103 18.606 4.965 -13.453 811 HZ3 TRP 103 HZ3 TRP 103 15.408 7.790 -13.478 812 HH2 TRP 103 HH2 TRP 103 17.684 7.152 -14.090 813 H ASP 104 H ASP 104 12.535 2.231 -7.701 814 HA ASP 104 HA ASP 104 9.746 2.737 -8.154 815 1HB ASP 104 2HB ASP 104 11.270 0.887 -6.330 816 2HB ASP 104 1HB ASP 104 9.517 1.015 -6.253 817 H PHE 105 H PHE 105 12.133 3.902 -5.960 818 HA PHE 105 HA PHE 105 10.039 5.307 -4.439 819 1HB PHE 105 2HB PHE 105 12.534 3.994 -3.345 820 2HB PHE 105 1HB PHE 105 11.592 5.167 -2.436 821 HD1 PHE 105 HD1 PHE 105 9.567 4.574 -1.378 822 HD2 PHE 105 HD2 PHE 105 11.548 1.772 -3.896 823 HE1 PHE 105 HE1 PHE 105 8.130 2.780 -0.511 824 HE2 PHE 105 HE2 PHE 105 10.101 -0.025 -3.033 825 HZ PHE 105 HZ PHE 105 8.393 0.480 -1.339 826 H TYR 106 H TYR 106 11.147 6.496 -6.632 827 HA TYR 106 HA TYR 106 12.545 8.743 -5.431 828 1HB TYR 106 2HB TYR 106 14.395 7.302 -6.104 829 2HB TYR 106 1HB TYR 106 13.737 7.160 -7.724 830 HD1 TYR 106 HD1 TYR 106 15.342 8.050 -9.117 831 HD2 TYR 106 HD2 TYR 106 14.271 10.243 -5.619 832 HE1 TYR 106 HE1 TYR 106 16.734 9.930 -9.868 833 HE2 TYR 106 HE2 TYR 106 15.661 12.124 -6.375 834 HH TYR 106 HH TYR 106 17.465 12.614 -7.826 835 H CYS 107 H CYS 107 11.489 10.478 -6.037 836 HA CYS 107 HA CYS 107 10.263 10.584 -8.718 837 1HB CYS 107 2HB CYS 107 9.385 11.836 -6.113 838 2HB CYS 107 1HB CYS 107 8.741 12.334 -7.673 839 H GLN 108 HN GLN 108 10.218 12.676 -9.761 840 HA GLN 108 HA GLN 108 12.249 14.572 -8.802 841 1HB GLN 108 2HB GLN 108 11.983 13.520 -11.626 842 2HB GLN 108 1HB GLN 108 12.977 14.897 -11.177 843 1HG GLN 108 2HG GLN 108 14.313 13.448 -9.722 844 2HG GLN 108 1HG GLN 108 13.325 12.072 -10.197 845 1HE2 GLN 108 1HE2 GLN 108 13.599 13.939 -12.924 846 2HE2 GLN 108 2HE2 GLN 108 14.986 13.197 -13.627 Start of MODEL 15 1 1H MET 1 1HT MET 1 7.562 17.378 -4.481 2 2H MET 1 2HT MET 1 7.560 16.147 -3.323 3 3H MET 1 3HT MET 1 6.564 16.026 -4.684 4 HA MET 1 HA MET 1 8.293 14.625 -5.220 5 1HB MET 1 2HB MET 1 8.963 17.375 -6.291 6 2HB MET 1 1HB MET 1 9.592 15.872 -6.949 7 1HG MET 1 2HG MET 1 7.323 15.163 -7.505 8 2HG MET 1 1HG MET 1 6.692 16.672 -6.846 9 1HE MET 1 1HE MET 1 5.458 16.435 -8.968 10 2HE MET 1 2HE MET 1 6.298 15.829 -10.395 11 3HE MET 1 3HE MET 1 5.875 17.536 -10.281 12 H GLY 2 H GLY 2 10.208 13.756 -4.666 13 1HA GLY 2 2HA GLY 2 12.640 14.732 -4.183 14 2HA GLY 2 1HA GLY 2 11.826 15.176 -2.690 15 HA PRO 3 HA PRO 3 13.154 10.695 -2.437 16 1HB PRO 3 2HB PRO 3 15.685 10.932 -1.400 17 2HB PRO 3 1HB PRO 3 15.316 10.751 -3.111 18 1HG PRO 3 1HG PRO 3 16.386 13.027 -1.727 19 2HG PRO 3 2HG PRO 3 16.134 12.824 -3.453 20 1HD PRO 3 1HD PRO 3 14.509 14.243 -1.492 21 2HD PRO 3 2HD PRO 3 14.496 14.371 -3.260 22 H MET 4 H MET 4 12.448 9.652 -0.714 23 HA MET 4 HA MET 4 13.120 10.597 1.974 24 1HB MET 4 2HB MET 4 10.883 10.611 2.739 25 2HB MET 4 1HB MET 4 10.822 11.441 1.195 26 1HG MET 4 1HG MET 4 9.902 9.511 0.121 27 2HG MET 4 2HG MET 4 10.109 8.548 1.584 28 1HE MET 4 1HE MET 4 6.368 8.615 1.950 29 2HE MET 4 2HE MET 4 7.879 7.707 2.005 30 3HE MET 4 3HE MET 4 7.269 8.313 0.464 31 HA PRO 5 HA PRO 5 13.823 6.357 3.271 32 1HB PRO 5 2HB PRO 5 11.197 6.314 4.714 33 2HB PRO 5 1HB PRO 5 12.781 5.739 5.250 34 1HG PRO 5 2HG PRO 5 11.864 8.057 6.122 35 2HG PRO 5 1HG PRO 5 13.565 7.901 5.644 36 1HD PRO 5 1HD PRO 5 11.300 9.205 4.205 37 2HD PRO 5 2HD PRO 5 13.015 9.662 4.268 38 H LYS 6 H LYS 6 13.580 4.438 2.329 39 HA LYS 6 HA LYS 6 11.790 4.033 0.208 40 1HB LYS 6 2HB LYS 6 13.446 1.992 1.697 41 2HB LYS 6 1HB LYS 6 12.705 1.755 0.124 42 1HG LYS 6 1HG LYS 6 14.113 3.483 -0.832 43 2HG LYS 6 2HG LYS 6 14.824 3.800 0.750 44 1HD LYS 6 2HD LYS 6 16.384 2.433 -0.369 45 2HD LYS 6 1HD LYS 6 15.543 1.361 0.753 46 1HE LYS 6 2HE LYS 6 15.795 0.256 -1.376 47 2HE LYS 6 1HE LYS 6 14.091 0.610 -1.095 48 1HZ LYS 6 1HZ LYS 6 14.793 1.113 -3.369 49 2HZ LYS 6 2HZ LYS 6 15.907 2.242 -2.785 50 3HZ LYS 6 3HZ LYS 6 14.250 2.497 -2.563 51 H LEU 7 H LEU 7 11.530 3.291 3.581 52 HA LEU 7 HA LEU 7 9.789 2.615 4.875 53 1HB LEU 7 2HB LEU 7 8.231 2.211 2.314 54 2HB LEU 7 1HB LEU 7 7.572 2.083 3.932 55 HG LEU 7 HG LEU 7 8.792 4.633 2.887 56 1HD1 LEU 7 1HD2 LEU 7 6.706 3.579 1.644 57 2HD1 LEU 7 2HD2 LEU 7 6.831 5.311 1.958 58 3HD1 LEU 7 3HD2 LEU 7 5.850 4.292 3.012 59 1HD2 LEU 7 1HD1 LEU 7 6.870 5.295 4.692 60 2HD2 LEU 7 2HD1 LEU 7 8.587 5.131 5.062 61 3HD2 LEU 7 3HD1 LEU 7 7.486 3.788 5.369 62 H ALA 8 H ALA 8 10.257 0.598 1.980 63 HA ALA 8 HA ALA 8 10.638 -1.722 3.706 64 1HB ALA 8 1HB ALA 8 9.235 -2.809 1.595 65 2HB ALA 8 2HB ALA 8 8.354 -1.322 1.949 66 3HB ALA 8 3HB ALA 8 8.610 -2.520 3.218 67 H ASP 9 H ASP 9 11.445 -3.634 2.344 68 HA ASP 9 HA ASP 9 13.344 -2.603 0.345 69 1HB ASP 9 1HB ASP 9 13.538 -5.005 2.174 70 2HB ASP 9 2HB ASP 9 14.702 -4.636 0.908 71 H ARG 10 H ARG 10 11.172 -5.316 1.071 72 HA ARG 10 HA ARG 10 11.136 -5.948 -1.806 73 1HB ARG 10 2HB ARG 10 11.216 -7.825 0.524 74 2HB ARG 10 1HB ARG 10 10.551 -8.339 -1.011 75 1HG ARG 10 1HG ARG 10 12.703 -9.077 -1.158 76 2HG ARG 10 2HG ARG 10 12.844 -7.494 -1.919 77 1HD ARG 10 1HD ARG 10 14.659 -7.818 -0.381 78 2HD ARG 10 2HD ARG 10 13.605 -6.551 0.215 79 HE ARG 10 HE ARG 10 13.215 -7.818 2.067 80 1HH1 ARG 10 1HH1 ARG 10 14.469 -9.969 -0.410 81 2HH1 ARG 10 2HH1 ARG 10 14.510 -11.340 0.644 82 1HH2 ARG 10 1HH2 ARG 10 13.282 -9.630 3.428 83 2HH2 ARG 10 2HH2 ARG 10 13.840 -11.149 2.813 84 H LYS 11 H LYS 11 9.180 -6.837 -2.631 85 HA LYS 11 HA LYS 11 6.775 -6.344 -1.015 86 1HB LYS 11 2HB LYS 11 5.699 -5.439 -3.076 87 2HB LYS 11 1HB LYS 11 7.023 -4.443 -2.484 88 1HG LYS 11 1HG LYS 11 8.491 -5.625 -4.175 89 2HG LYS 11 2HG LYS 11 7.004 -6.278 -4.864 90 1HD LYS 11 2HD LYS 11 6.177 -4.037 -5.264 91 2HD LYS 11 1HD LYS 11 7.613 -3.355 -4.499 92 1HE LYS 11 2HE LYS 11 7.835 -3.251 -6.908 93 2HE LYS 11 1HE LYS 11 9.008 -4.385 -6.243 94 1HZ LYS 11 1HZ LYS 11 6.407 -5.171 -7.440 95 2HZ LYS 11 2HZ LYS 11 7.635 -6.212 -6.921 96 3HZ LYS 11 3HZ LYS 11 7.887 -5.206 -8.258 97 H LEU 12 H LEU 12 4.831 -7.462 -1.912 98 HA LEU 12 HA LEU 12 5.595 -9.987 -3.218 99 1HB LEU 12 2HB LEU 12 3.328 -9.508 -1.275 100 2HB LEU 12 1HB LEU 12 3.606 -11.007 -2.126 101 HG LEU 12 HG LEU 12 4.376 -11.379 0.061 102 1HD1 LEU 12 1HD2 LEU 12 6.277 -11.335 -2.051 103 2HD1 LEU 12 2HD2 LEU 12 6.209 -12.393 -0.643 104 3HD1 LEU 12 3HD2 LEU 12 7.093 -10.867 -0.556 105 1HD2 LEU 12 1HD1 LEU 12 6.327 -9.632 0.783 106 2HD2 LEU 12 2HD1 LEU 12 4.644 -9.553 1.305 107 3HD2 LEU 12 3HD1 LEU 12 5.191 -8.580 -0.060 108 H CYS 13 H CYS 13 4.874 -10.218 -5.193 109 HA CYS 13 HA CYS 13 2.375 -8.874 -5.986 110 1HB CYS 13 2HB CYS 13 4.791 -9.444 -7.721 111 2HB CYS 13 1HB CYS 13 3.315 -8.635 -8.235 112 H ALA 14 H ALA 14 1.556 -9.961 -8.147 113 HA ALA 14 HA ALA 14 1.161 -12.767 -7.507 114 1HB ALA 14 1HB ALA 14 -0.223 -10.766 -9.201 115 2HB ALA 14 2HB ALA 14 -0.881 -11.926 -8.047 116 3HB ALA 14 3HB ALA 14 -0.376 -12.465 -9.650 117 H ASP 15 H ASP 15 2.992 -10.852 -9.700 118 HA ASP 15 HA ASP 15 4.053 -13.273 -10.941 119 1HB ASP 15 2HB ASP 15 2.274 -12.360 -12.440 120 2HB ASP 15 1HB ASP 15 3.203 -10.883 -12.594 121 H GLN 16 H GLN 16 5.988 -12.687 -12.318 122 HA GLN 16 HA GLN 16 7.894 -11.332 -10.706 123 1HB GLN 16 2HB GLN 16 8.368 -13.275 -12.218 124 2HB GLN 16 1HB GLN 16 8.197 -12.191 -13.590 125 1HG GLN 16 2HG GLN 16 10.082 -10.865 -12.783 126 2HG GLN 16 1HG GLN 16 10.252 -11.948 -11.403 127 1HE2 GLN 16 1HE2 GLN 16 11.806 -13.379 -11.620 128 2HE2 GLN 16 2HE2 GLN 16 12.357 -14.076 -13.102 129 H GLU 17 H GLU 17 5.815 -10.312 -13.260 130 HA GLU 17 HA GLU 17 7.318 -7.885 -13.835 131 1HB GLU 17 2HB GLU 17 4.596 -8.778 -14.814 132 2HB GLU 17 1HB GLU 17 5.490 -7.390 -15.410 133 1HG GLU 17 2HG GLU 17 7.260 -8.916 -16.194 134 2HG GLU 17 1HG GLU 17 6.274 -10.278 -15.667 135 H CYS 18 H CYS 18 4.880 -8.994 -11.721 136 HA CYS 18 HA CYS 18 3.507 -8.048 -10.194 137 1HB CYS 18 1HB CYS 18 5.749 -6.949 -9.582 138 2HB CYS 18 2HB CYS 18 5.138 -5.515 -10.399 139 H SER 19 H SER 19 3.056 -7.776 -13.052 140 HA SER 19 HA SER 19 1.577 -5.295 -13.344 141 1HB SER 19 2HB SER 19 2.935 -5.828 -15.212 142 2HB SER 19 1HB SER 19 2.360 -7.486 -15.243 143 HG SER 19 HG SER 19 1.315 -6.334 -16.853 144 H HIS 20 H HIS 20 1.028 -8.291 -12.113 145 HA HIS 20 HA HIS 20 -1.744 -8.506 -13.020 146 1HB HIS 20 2HB HIS 20 0.212 -10.360 -11.755 147 2HB HIS 20 1HB HIS 20 -1.491 -10.624 -11.419 148 HD1 HIS 20 HD1 HIS 20 -0.745 -12.923 -12.681 149 HD2 HIS 20 HD2 HIS 20 -1.201 -9.537 -15.043 150 HE1 HIS 20 HE1 HIS 20 -1.117 -13.778 -14.999 151 HE2 HIS 20 HE2 HIS 20 -1.451 -11.718 -16.416 152 HA PRO 21 HA PRO 21 -3.100 -6.998 -9.026 153 1HB PRO 21 1HB PRO 21 -5.772 -7.330 -9.393 154 2HB PRO 21 2HB PRO 21 -4.835 -6.069 -10.193 155 1HG PRO 21 1HG PRO 21 -6.090 -8.420 -11.349 156 2HG PRO 21 2HG PRO 21 -5.377 -7.021 -12.167 157 1HD PRO 21 1HD PRO 21 -4.222 -9.661 -11.666 158 2HD PRO 21 2HD PRO 21 -3.667 -8.377 -12.765 159 H ILE 22 H ILE 22 -2.882 -8.057 -7.156 160 HA ILE 22 HA ILE 22 -3.397 -10.831 -6.880 161 HB ILE 22 HB ILE 22 -2.931 -8.831 -4.657 162 1HG1 ILE 22 2HG1 ILE 22 -0.874 -10.604 -5.990 163 2HG1 ILE 22 1HG1 ILE 22 -1.158 -8.938 -6.491 164 1HG2 ILE 22 1HG2 ILE 22 -1.981 -11.573 -4.304 165 2HG2 ILE 22 2HG2 ILE 22 -3.734 -11.462 -4.470 166 3HG2 ILE 22 3HG2 ILE 22 -2.907 -10.546 -3.209 167 1HD1 ILE 22 1HD1 ILE 22 0.680 -8.837 -5.060 168 2HD1 ILE 22 2HD1 ILE 22 -0.049 -9.946 -3.899 169 3HD1 ILE 22 3HD1 ILE 22 -0.683 -8.309 -4.071 170 H SER 23 H SER 23 -4.872 -8.139 -5.020 171 HA SER 23 HA SER 23 -7.404 -9.633 -5.106 172 1HB SER 23 2HB SER 23 -7.802 -9.032 -2.734 173 2HB SER 23 1HB SER 23 -6.394 -10.072 -2.940 174 HG SER 23 HG SER 23 -6.390 -7.900 -1.630 175 H MET 24 H MET 24 -9.228 -8.500 -5.277 176 HA MET 24 HA MET 24 -9.020 -5.657 -5.893 177 1HB MET 24 1HB MET 24 -10.258 -7.437 -7.318 178 2HB MET 24 2HB MET 24 -11.506 -7.352 -6.083 179 1HG MET 24 2HG MET 24 -11.544 -4.846 -6.520 180 2HG MET 24 1HG MET 24 -10.590 -5.207 -7.956 181 1HE MET 24 1HE MET 24 -14.249 -7.441 -6.939 182 2HE MET 24 2HE MET 24 -14.805 -5.768 -6.877 183 3HE MET 24 3HE MET 24 -13.433 -6.280 -5.893 184 H ALA 25 H ALA 25 -9.298 -4.284 -4.219 185 HA ALA 25 HA ALA 25 -11.216 -5.062 -2.114 186 1HB ALA 25 1HB ALA 25 -8.916 -5.090 -1.308 187 2HB ALA 25 2HB ALA 25 -9.850 -3.819 -0.520 188 3HB ALA 25 3HB ALA 25 -8.712 -3.410 -1.803 189 H VAL 26 H VAL 26 -12.658 -3.589 -1.364 190 HA VAL 26 HA VAL 26 -13.034 -1.184 -3.004 191 HB VAL 26 HB VAL 26 -14.901 -2.373 -0.930 192 1HG1 VAL 26 1HG2 VAL 26 -15.448 -0.359 -3.112 193 2HG1 VAL 26 2HG2 VAL 26 -15.276 0.018 -1.398 194 3HG1 VAL 26 3HG2 VAL 26 -16.615 -0.989 -1.948 195 1HG2 VAL 26 1HG1 VAL 26 -14.661 -2.828 -3.886 196 2HG2 VAL 26 2HG1 VAL 26 -16.187 -3.068 -3.037 197 3HG2 VAL 26 3HG1 VAL 26 -14.769 -4.017 -2.588 198 H ALA 27 H ALA 27 -12.785 0.861 -2.241 199 HA ALA 27 HA ALA 27 -11.404 1.296 0.209 200 1HB ALA 27 1HB ALA 27 -11.181 2.668 -1.893 201 2HB ALA 27 2HB ALA 27 -11.321 3.580 -0.387 202 3HB ALA 27 3HB ALA 27 -12.715 3.426 -1.462 203 H LEU 28 H LEU 28 -12.115 1.740 2.160 204 HA LEU 28 HA LEU 28 -14.972 1.895 2.650 205 1HB LEU 28 2HB LEU 28 -12.595 1.547 4.465 206 2HB LEU 28 1HB LEU 28 -14.238 1.699 5.060 207 HG LEU 28 HG LEU 28 -13.331 -0.490 3.188 208 1HD1 LEU 28 1HD2 LEU 28 -13.168 -0.224 6.127 209 2HD1 LEU 28 2HD2 LEU 28 -12.163 -1.148 5.011 210 3HD1 LEU 28 3HD2 LEU 28 -13.741 -1.767 5.496 211 1HD2 LEU 28 1HD1 LEU 28 -15.897 0.374 4.052 212 2HD2 LEU 28 2HD1 LEU 28 -15.562 -1.192 4.792 213 3HD2 LEU 28 3HD1 LEU 28 -15.481 -1.011 3.040 214 H GLN 29 H GLN 29 -12.225 4.024 2.638 215 HA GLN 29 HA GLN 29 -13.962 6.233 3.388 216 1HB GLN 29 1HB GLN 29 -12.405 7.100 5.095 217 2HB GLN 29 2HB GLN 29 -13.095 5.549 5.549 218 1HG GLN 29 2HG GLN 29 -11.053 4.414 4.979 219 2HG GLN 29 1HG GLN 29 -10.358 5.907 4.347 220 1HE2 GLN 29 1HE2 GLN 29 -9.044 6.931 5.659 221 2HE2 GLN 29 2HE2 GLN 29 -9.049 6.846 7.383 222 H ASP 30 H ASP 30 -12.330 8.311 3.567 223 HA ASP 30 HA ASP 30 -11.180 8.516 0.898 224 1HB ASP 30 2HB ASP 30 -11.708 10.623 3.009 225 2HB ASP 30 1HB ASP 30 -11.106 10.947 1.386 226 H TYR 31 H TYR 31 -9.101 9.438 0.521 227 HA TYR 31 HA TYR 31 -7.227 9.648 2.721 228 1HB TYR 31 2HB TYR 31 -7.319 7.186 1.917 229 2HB TYR 31 1HB TYR 31 -6.520 7.778 0.465 230 HD1 TYR 31 HD1 TYR 31 -4.199 7.933 0.404 231 HD2 TYR 31 HD2 TYR 31 -6.149 7.747 4.182 232 HE1 TYR 31 HE1 TYR 31 -2.014 7.777 1.518 233 HE2 TYR 31 HE2 TYR 31 -3.970 7.589 5.306 234 HH TYR 31 HH TYR 31 -1.411 8.440 4.483 235 H MET 32 H MET 32 -5.689 11.142 2.316 236 HA MET 32 HA MET 32 -5.527 12.226 -0.419 237 1HB MET 32 2HB MET 32 -4.954 13.585 2.223 238 2HB MET 32 1HB MET 32 -4.749 14.324 0.642 239 1HG MET 32 2HG MET 32 -7.112 14.140 0.212 240 2HG MET 32 1HG MET 32 -7.357 13.333 1.757 241 1HE MET 32 1HE MET 32 -6.027 17.737 1.331 242 2HE MET 32 2HE MET 32 -6.706 16.841 -0.027 243 3HE MET 32 3HE MET 32 -5.158 16.356 0.663 244 H ALA 33 H ALA 33 -3.644 12.141 -1.482 245 HA ALA 33 HA ALA 33 -1.351 10.937 -0.134 246 1HB ALA 33 1HB ALA 33 -1.888 9.854 -2.141 247 2HB ALA 33 2HB ALA 33 -0.459 10.822 -2.506 248 3HB ALA 33 3HB ALA 33 -2.054 11.376 -3.017 249 HA PRO 34 HA PRO 34 0.573 15.034 0.017 250 1HB PRO 34 2HB PRO 34 2.812 13.780 1.371 251 2HB PRO 34 1HB PRO 34 1.625 14.911 2.019 252 1HG PRO 34 2HG PRO 34 1.761 12.308 2.774 253 2HG PRO 34 1HG PRO 34 0.247 13.237 2.768 254 1HD PRO 34 2HD PRO 34 1.282 11.280 0.741 255 2HD PRO 34 1HD PRO 34 -0.357 11.456 1.403 256 H ASP 35 H ASP 35 2.956 12.377 -0.220 257 HA ASP 35 HA ASP 35 4.358 13.818 -2.334 258 1HB ASP 35 2HB ASP 35 6.099 12.036 -2.023 259 2HB ASP 35 1HB ASP 35 5.775 12.997 -0.585 260 H CYS 36 H CYS 36 5.260 12.443 -4.182 261 HA CYS 36 HA CYS 36 3.080 11.407 -5.653 262 1HB CYS 36 1HB CYS 36 4.626 11.019 -7.424 263 2HB CYS 36 2HB CYS 36 5.127 12.499 -6.611 264 H ARG 37 H ARG 37 5.082 9.817 -3.360 265 HA ARG 37 HA ARG 37 4.955 7.208 -4.554 266 1HB ARG 37 1HB ARG 37 5.596 8.034 -1.721 267 2HB ARG 37 2HB ARG 37 5.722 6.392 -2.331 268 1HG ARG 37 2HG ARG 37 7.421 7.115 -3.929 269 2HG ARG 37 1HG ARG 37 7.300 8.763 -3.304 270 1HD ARG 37 1HD ARG 37 7.919 7.891 -1.057 271 2HD ARG 37 2HD ARG 37 8.177 6.308 -1.785 272 HE ARG 37 HE ARG 37 10.223 7.026 -2.448 273 1HH1 ARG 37 1HH1 ARG 37 8.251 9.893 -1.947 274 2HH1 ARG 37 2HH1 ARG 37 9.546 10.980 -2.309 275 1HH2 ARG 37 1HH2 ARG 37 11.896 8.474 -2.904 276 2HH2 ARG 37 2HH2 ARG 37 11.605 10.177 -2.855 277 H PHE 38 H PHE 38 2.894 9.074 -2.433 278 HA PHE 38 HA PHE 38 1.325 6.714 -1.747 279 1HB PHE 38 2HB PHE 38 1.283 9.574 -0.848 280 2HB PHE 38 1HB PHE 38 -0.121 8.552 -0.575 281 HD1 PHE 38 HD1 PHE 38 -0.270 7.613 1.491 282 HD2 PHE 38 HD2 PHE 38 3.609 8.285 -0.128 283 HE1 PHE 38 HE1 PHE 38 0.742 6.736 3.552 284 HE2 PHE 38 HE2 PHE 38 4.624 7.405 1.929 285 HZ PHE 38 HZ PHE 38 3.191 6.629 3.773 286 H LEU 39 H LEU 39 -1.047 6.758 -2.014 287 HA LEU 39 HA LEU 39 -1.799 7.986 -4.591 288 1HB LEU 39 1HB LEU 39 -1.483 5.574 -4.763 289 2HB LEU 39 2HB LEU 39 -2.580 5.308 -3.428 290 HG LEU 39 HG LEU 39 -4.450 6.155 -4.818 291 1HD1 LEU 39 1HD2 LEU 39 -3.152 7.603 -6.325 292 2HD1 LEU 39 2HD2 LEU 39 -4.160 6.454 -7.206 293 3HD1 LEU 39 3HD2 LEU 39 -2.427 6.169 -7.054 294 1HD2 LEU 39 1HD1 LEU 39 -4.027 3.779 -4.690 295 2HD2 LEU 39 2HD1 LEU 39 -2.840 3.894 -5.992 296 3HD2 LEU 39 3HD1 LEU 39 -4.544 4.208 -6.322 297 H THR 40 H THR 40 -3.701 9.059 -4.741 298 HA THR 40 HA THR 40 -5.182 9.557 -2.280 299 HB THR 40 HB THR 40 -5.433 10.813 -5.031 300 HG1 THR 40 HG1 THR 40 -4.201 12.418 -4.242 301 1HG2 THR 40 1HG2 THR 40 -6.591 11.801 -2.436 302 2HG2 THR 40 2HG2 THR 40 -7.515 11.028 -3.725 303 3HG2 THR 40 3HG2 THR 40 -6.714 12.573 -4.017 304 H ILE 41 H ILE 41 -6.995 8.512 -1.794 305 HA ILE 41 HA ILE 41 -8.543 7.253 -3.977 306 HB ILE 41 HB ILE 41 -8.042 6.042 -1.240 307 1HG1 ILE 41 1HG1 ILE 41 -6.954 5.123 -3.916 308 2HG1 ILE 41 2HG1 ILE 41 -6.036 6.105 -2.782 309 1HG2 ILE 41 1HG2 ILE 41 -9.102 4.040 -2.174 310 2HG2 ILE 41 2HG2 ILE 41 -9.395 4.894 -3.689 311 3HG2 ILE 41 3HG2 ILE 41 -10.204 5.418 -2.212 312 1HD1 ILE 41 1HD1 ILE 41 -6.498 4.206 -1.106 313 2HD1 ILE 41 2HD1 ILE 41 -5.283 3.967 -2.363 314 3HD1 ILE 41 3HD1 ILE 41 -6.889 3.256 -2.540 315 H HIS 42 H HIS 42 -10.770 7.235 -3.782 316 HA HIS 42 HA HIS 42 -11.889 8.884 -1.613 317 1HB HIS 42 2HB HIS 42 -12.835 8.438 -4.450 318 2HB HIS 42 1HB HIS 42 -13.846 9.179 -3.220 319 HD1 HIS 42 HD1 HIS 42 -13.509 10.967 -5.440 320 HD2 HIS 42 HD2 HIS 42 -10.547 10.722 -2.535 321 HE1 HIS 42 HE1 HIS 42 -12.217 13.117 -5.610 322 HE2 HIS 42 HE2 HIS 42 -10.496 12.987 -3.777 323 H ARG 43 H ARG 43 -13.864 8.262 -0.669 324 HA ARG 43 HA ARG 43 -14.097 5.530 -0.059 325 1HB ARG 43 2HB ARG 43 -14.771 7.404 1.430 326 2HB ARG 43 1HB ARG 43 -16.134 7.725 0.370 327 1HG ARG 43 1HG ARG 43 -17.021 5.486 0.864 328 2HG ARG 43 2HG ARG 43 -15.669 5.211 1.963 329 1HD ARG 43 2HD ARG 43 -17.630 5.880 3.215 330 2HD ARG 43 1HD ARG 43 -16.394 7.134 3.311 331 HE ARG 43 HE ARG 43 -18.108 7.738 1.181 332 1HH1 ARG 43 1HH1 ARG 43 -18.203 7.593 4.685 333 2HH1 ARG 43 2HH1 ARG 43 -19.437 8.800 4.816 334 1HH2 ARG 43 1HH2 ARG 43 -19.727 9.319 1.374 335 2HH2 ARG 43 2HH2 ARG 43 -20.299 9.776 2.944 336 H GLY 44 H GLY 44 -15.005 3.921 -1.154 337 1HA GLY 44 2HA GLY 44 -16.940 2.928 -2.164 338 2HA GLY 44 1HA GLY 44 -17.350 4.494 -2.840 339 H GLN 45 H GLN 45 -14.220 4.504 -3.479 340 HA GLN 45 HA GLN 45 -14.606 3.648 -6.200 341 1HB GLN 45 1HB GLN 45 -12.220 4.766 -4.739 342 2HB GLN 45 2HB GLN 45 -12.162 4.289 -6.428 343 1HG GLN 45 2HG GLN 45 -14.089 5.886 -6.803 344 2HG GLN 45 1HG GLN 45 -13.778 6.485 -5.174 345 1HE2 GLN 45 1HE2 GLN 45 -13.241 7.118 -8.300 346 2HE2 GLN 45 2HE2 GLN 45 -11.750 7.984 -8.196 347 H VAL 46 H VAL 46 -13.476 2.057 -7.328 348 HA VAL 46 HA VAL 46 -12.814 -0.302 -5.753 349 HB VAL 46 HB VAL 46 -12.598 -0.143 -8.753 350 1HG1 VAL 46 1HG1 VAL 46 -11.777 -2.161 -7.746 351 2HG1 VAL 46 2HG1 VAL 46 -13.284 -2.515 -8.592 352 3HG1 VAL 46 3HG1 VAL 46 -13.272 -2.365 -6.834 353 1HG2 VAL 46 1HG2 VAL 46 -14.974 0.421 -7.323 354 2HG2 VAL 46 2HG2 VAL 46 -15.148 -1.186 -8.030 355 3HG2 VAL 46 3HG2 VAL 46 -14.765 0.195 -9.062 356 H VAL 47 H VAL 47 -10.767 -0.797 -5.190 357 HA VAL 47 HA VAL 47 -8.577 0.385 -6.776 358 HB VAL 47 HB VAL 47 -8.349 -0.255 -3.837 359 1HG1 VAL 47 1HG1 VAL 47 -6.707 1.804 -5.206 360 2HG1 VAL 47 2HG1 VAL 47 -6.370 0.110 -5.568 361 3HG1 VAL 47 3HG1 VAL 47 -6.281 0.690 -3.906 362 1HG2 VAL 47 1HG2 VAL 47 -10.061 1.633 -4.649 363 2HG2 VAL 47 2HG2 VAL 47 -8.568 2.572 -4.687 364 3HG2 VAL 47 3HG2 VAL 47 -9.083 1.792 -3.190 365 H TYR 48 H TYR 48 -7.330 -1.023 -7.760 366 HA TYR 48 HA TYR 48 -7.396 -3.838 -7.004 367 1HB TYR 48 2HB TYR 48 -6.309 -2.370 -9.409 368 2HB TYR 48 1HB TYR 48 -5.932 -4.054 -9.112 369 HD1 TYR 48 HD1 TYR 48 -9.285 -2.454 -8.575 370 HD2 TYR 48 HD2 TYR 48 -6.902 -5.025 -10.997 371 HE1 TYR 48 HE1 TYR 48 -11.285 -3.127 -9.830 372 HE2 TYR 48 HE2 TYR 48 -8.903 -5.706 -12.245 373 HH TYR 48 HH TYR 48 -11.750 -5.583 -11.374 374 H VAL 49 H VAL 49 -5.841 -4.743 -5.794 375 HA VAL 49 HA VAL 49 -3.464 -3.193 -5.132 376 HB VAL 49 HB VAL 49 -4.271 -5.911 -4.068 377 1HG1 VAL 49 1HG1 VAL 49 -2.370 -5.873 -2.924 378 2HG1 VAL 49 2HG1 VAL 49 -2.796 -4.313 -2.220 379 3HG1 VAL 49 3HG1 VAL 49 -1.917 -4.380 -3.747 380 1HG2 VAL 49 1HG2 VAL 49 -4.690 -3.906 -2.127 381 2HG2 VAL 49 2HG2 VAL 49 -5.895 -4.922 -2.920 382 3HG2 VAL 49 3HG2 VAL 49 -5.469 -3.356 -3.611 383 H PHE 50 H PHE 50 -1.460 -3.588 -5.894 384 HA PHE 50 HA PHE 50 -1.110 -5.936 -7.632 385 1HB PHE 50 2HB PHE 50 0.115 -3.184 -7.770 386 2HB PHE 50 1HB PHE 50 0.774 -4.549 -8.661 387 HD1 PHE 50 HD1 PHE 50 -2.310 -2.511 -8.236 388 HD2 PHE 50 HD2 PHE 50 -0.097 -5.160 -10.728 389 HE1 PHE 50 HE1 PHE 50 -3.883 -2.088 -10.079 390 HE2 PHE 50 HE2 PHE 50 -1.668 -4.740 -12.573 391 HZ PHE 50 HZ PHE 50 -3.563 -3.202 -12.250 392 H SER 51 H SER 51 0.412 -4.010 -5.077 393 HA SER 51 HA SER 51 2.174 -6.290 -4.521 394 1HB SER 51 2HB SER 51 4.090 -4.748 -4.143 395 2HB SER 51 1HB SER 51 3.560 -4.784 -5.822 396 HG SER 51 HG SER 51 2.348 -2.853 -5.338 397 H LYS 52 H LYS 52 2.821 -6.555 -2.413 398 HA LYS 52 HA LYS 52 1.621 -4.744 -0.410 399 1HB LYS 52 2HB LYS 52 2.072 -7.671 0.136 400 2HB LYS 52 1HB LYS 52 1.033 -6.548 0.984 401 1HG LYS 52 1HG LYS 52 -0.520 -6.528 -0.882 402 2HG LYS 52 2HG LYS 52 0.540 -7.600 -1.792 403 1HD LYS 52 1HD LYS 52 0.229 -9.328 -0.102 404 2HD LYS 52 2HD LYS 52 -0.808 -8.240 0.824 405 1HE LYS 52 1HE LYS 52 -1.324 -9.363 -1.925 406 2HE LYS 52 2HE LYS 52 -2.189 -9.723 -0.435 407 1HZ LYS 52 1HZ LYS 52 -2.481 -7.481 -2.220 408 2HZ LYS 52 2HZ LYS 52 -2.473 -7.072 -0.580 409 3HZ LYS 52 3HZ LYS 52 -3.606 -8.182 -1.168 410 H LEU 53 H LEU 53 3.211 -3.703 0.649 411 HA LEU 53 HA LEU 53 5.935 -4.538 0.484 412 1HB LEU 53 1HB LEU 53 4.766 -2.451 2.322 413 2HB LEU 53 2HB LEU 53 6.442 -2.596 1.821 414 HG LEU 53 HG LEU 53 4.175 -1.972 -0.074 415 1HD1 LEU 53 1HD2 LEU 53 4.472 0.262 0.239 416 2HD1 LEU 53 2HD2 LEU 53 6.146 0.081 0.762 417 3HD1 LEU 53 3HD2 LEU 53 4.828 -0.308 1.871 418 1HD2 LEU 53 1HD1 LEU 53 5.727 -2.488 -1.598 419 2HD2 LEU 53 2HD1 LEU 53 7.026 -2.496 -0.403 420 3HD2 LEU 53 3HD1 LEU 53 6.506 -0.975 -1.127 421 H LYS 54 H LYS 54 7.308 -5.377 2.020 422 HA LYS 54 HA LYS 54 6.118 -6.188 4.585 423 1HB LYS 54 1HB LYS 54 7.408 -8.332 4.447 424 2HB LYS 54 2HB LYS 54 6.081 -8.201 3.305 425 1HG LYS 54 1HG LYS 54 7.436 -8.475 1.570 426 2HG LYS 54 2HG LYS 54 8.559 -7.253 2.158 427 1HD LYS 54 1HD LYS 54 9.629 -9.442 1.915 428 2HD LYS 54 2HD LYS 54 9.645 -8.891 3.588 429 1HE LYS 54 1HE LYS 54 9.131 -11.231 3.561 430 2HE LYS 54 2HE LYS 54 7.673 -10.354 4.018 431 1HZ LYS 54 1HZ LYS 54 7.800 -10.701 1.207 432 2HZ LYS 54 2HZ LYS 54 6.601 -11.196 2.292 433 3HZ LYS 54 3HZ LYS 54 7.933 -12.194 1.991 434 H GLY 55 H GLY 55 7.670 -6.637 6.286 435 1HA GLY 55 2HA GLY 55 9.984 -6.550 7.058 436 2HA GLY 55 1HA GLY 55 10.257 -5.268 5.887 437 H ARG 56 H ARG 56 9.909 -3.191 6.461 438 HA ARG 56 HA ARG 56 9.259 -2.679 9.253 439 1HB ARG 56 2HB ARG 56 10.336 -0.892 7.064 440 2HB ARG 56 1HB ARG 56 9.931 -0.311 8.671 441 1HG ARG 56 1HG ARG 56 12.208 -0.634 8.814 442 2HG ARG 56 2HG ARG 56 11.573 -2.133 9.491 443 1HD ARG 56 2HD ARG 56 11.910 -3.250 7.339 444 2HD ARG 56 1HD ARG 56 12.533 -1.750 6.654 445 HE ARG 56 HE ARG 56 13.959 -3.629 8.250 446 1HH1 ARG 56 1HH1 ARG 56 13.789 -0.205 7.485 447 2HH1 ARG 56 2HH1 ARG 56 15.429 0.095 7.951 448 1HH2 ARG 56 1HH2 ARG 56 16.104 -3.210 8.850 449 2HH2 ARG 56 2HH2 ARG 56 16.738 -1.604 8.722 450 H GLY 57 H GLY 57 7.756 -2.611 6.205 451 1HA GLY 57 1HA GLY 57 5.477 -1.114 7.335 452 2HA GLY 57 2HA GLY 57 6.016 -0.847 5.683 453 H ARG 58 H ARG 58 5.244 -3.625 7.766 454 HA ARG 58 HA ARG 58 4.336 -5.273 5.643 455 1HB ARG 58 2HB ARG 58 5.225 -6.082 7.833 456 2HB ARG 58 1HB ARG 58 3.752 -5.531 8.602 457 1HG ARG 58 1HG ARG 58 3.545 -7.858 8.300 458 2HG ARG 58 2HG ARG 58 2.518 -7.097 7.093 459 1HD ARG 58 2HD ARG 58 4.240 -7.432 5.392 460 2HD ARG 58 1HD ARG 58 5.284 -8.182 6.596 461 HE ARG 58 HE ARG 58 4.135 -10.126 6.304 462 1HH1 ARG 58 1HH1 ARG 58 2.107 -7.536 5.072 463 2HH1 ARG 58 2HH1 ARG 58 0.881 -8.617 4.502 464 1HH2 ARG 58 1HH2 ARG 58 2.516 -11.519 5.546 465 2HH2 ARG 58 2HH2 ARG 58 1.112 -10.867 4.769 466 H LEU 59 H LEU 59 2.810 -2.823 7.535 467 HA LEU 59 HA LEU 59 0.116 -3.720 6.881 468 1HB LEU 59 2HB LEU 59 1.077 -1.302 8.418 469 2HB LEU 59 1HB LEU 59 -0.602 -1.755 8.209 470 HG LEU 59 HG LEU 59 1.433 -3.492 9.615 471 1HD1 LEU 59 1HD1 LEU 59 1.304 -2.064 11.315 472 2HD1 LEU 59 2HD1 LEU 59 -0.389 -2.531 11.477 473 3HD1 LEU 59 3HD1 LEU 59 0.048 -1.120 10.514 474 1HD2 LEU 59 1HD2 LEU 59 -1.310 -3.871 8.777 475 2HD2 LEU 59 2HD2 LEU 59 -1.137 -4.042 10.524 476 3HD2 LEU 59 3HD2 LEU 59 -0.163 -5.035 9.439 477 H PHE 60 H PHE 60 2.464 -2.104 5.257 478 HA PHE 60 HA PHE 60 0.635 -0.212 3.971 479 1HB PHE 60 2HB PHE 60 3.643 -0.434 3.958 480 2HB PHE 60 1HB PHE 60 2.774 0.616 2.848 481 HD1 PHE 60 HD1 PHE 60 2.200 2.767 3.479 482 HD2 PHE 60 HD2 PHE 60 3.254 -0.057 6.487 483 HE1 PHE 60 HE1 PHE 60 2.189 4.559 5.164 484 HE2 PHE 60 HE2 PHE 60 3.239 1.732 8.175 485 HZ PHE 60 HZ PHE 60 2.707 4.043 7.514 486 H TRP 61 H TRP 61 -0.213 -0.596 2.081 487 HA TRP 61 HA TRP 61 0.871 -2.762 0.407 488 1HB TRP 61 2HB TRP 61 -1.934 -1.823 0.946 489 2HB TRP 61 1HB TRP 61 -1.564 -2.644 -0.563 490 HD1 TRP 61 HD1 TRP 61 0.452 -4.168 2.177 491 HE1 TRP 61 HE1 TRP 61 -0.613 -6.375 2.938 492 HE3 TRP 61 HE3 TRP 61 -4.103 -3.716 -0.113 493 HZ2 TRP 61 HZ2 TRP 61 -3.058 -7.743 2.634 494 HZ3 TRP 61 HZ3 TRP 61 -5.746 -5.520 0.179 495 HH2 TRP 61 HH2 TRP 61 -5.238 -7.492 1.523 496 H GLY 62 H GLY 62 -0.291 -2.309 -1.985 497 1HA GLY 62 2HA GLY 62 -0.152 0.455 -2.789 498 2HA GLY 62 1HA GLY 62 1.293 -0.481 -3.270 499 H GLY 63 H GLY 63 -0.637 0.806 -4.991 500 1HA GLY 63 2HA GLY 63 -0.913 -1.060 -7.008 501 2HA GLY 63 1HA GLY 63 -2.420 -1.117 -6.106 502 H SER 64 H SER 64 -3.617 -0.344 -7.855 503 HA SER 64 HA SER 64 -3.475 2.555 -8.207 504 1HB SER 64 2HB SER 64 -2.232 1.629 -10.117 505 2HB SER 64 1HB SER 64 -3.612 0.609 -10.526 506 HG SER 64 HG SER 64 -4.720 2.338 -11.200 507 H VAL 65 H VAL 65 -5.442 3.536 -8.683 508 HA VAL 65 HA VAL 65 -7.792 1.964 -7.991 509 HB VAL 65 HB VAL 65 -7.501 4.941 -8.477 510 1HG1 VAL 65 1HG2 VAL 65 -9.841 3.293 -7.550 511 2HG1 VAL 65 2HG2 VAL 65 -9.774 4.454 -8.879 512 3HG1 VAL 65 3HG2 VAL 65 -9.709 5.018 -7.206 513 1HG2 VAL 65 1HG1 VAL 65 -7.400 3.261 -6.005 514 2HG2 VAL 65 2HG1 VAL 65 -7.907 4.948 -5.934 515 3HG2 VAL 65 3HG1 VAL 65 -6.303 4.535 -6.535 516 H GLN 66 H GLN 66 -9.379 1.371 -9.369 517 HA GLN 66 HA GLN 66 -9.032 2.054 -12.181 518 1HB GLN 66 1HB GLN 66 -9.338 -0.314 -11.700 519 2HB GLN 66 2HB GLN 66 -10.847 0.017 -10.861 520 1HG GLN 66 2HG GLN 66 -11.834 0.812 -12.947 521 2HG GLN 66 1HG GLN 66 -10.320 0.477 -13.792 522 1HE2 GLN 66 1HE2 GLN 66 -13.323 -0.644 -13.166 523 2HE2 GLN 66 2HE2 GLN 66 -13.081 -2.334 -13.452 524 H GLY 67 H GLY 67 -12.145 1.473 -10.535 525 1HA GLY 67 1HA GLY 67 -13.967 2.846 -10.201 526 2HA GLY 67 2HA GLY 67 -12.957 4.222 -10.618 527 H ASP 68 H ASP 68 -12.448 4.466 -12.934 528 HA ASP 68 HA ASP 68 -14.613 3.554 -14.696 529 1HB ASP 68 2HB ASP 68 -14.777 5.985 -13.859 530 2HB ASP 68 1HB ASP 68 -13.370 6.298 -14.867 531 H TYR 69 H TYR 69 -11.339 4.202 -14.099 532 HA TYR 69 HA TYR 69 -9.385 3.696 -15.071 533 1HB TYR 69 2HB TYR 69 -10.610 1.516 -15.526 534 2HB TYR 69 1HB TYR 69 -10.878 2.110 -17.159 535 HD1 TYR 69 HD1 TYR 69 -9.474 1.127 -18.702 536 HD2 TYR 69 HD2 TYR 69 -7.946 1.988 -14.825 537 HE1 TYR 69 HE1 TYR 69 -7.279 0.241 -19.373 538 HE2 TYR 69 HE2 TYR 69 -5.753 1.117 -15.481 539 HH TYR 69 HH TYR 69 -4.667 0.805 -18.319 540 H TYR 70 H TYR 70 -11.266 3.692 -18.081 541 HA TYR 70 HA TYR 70 -10.914 4.670 -20.069 542 1HB TYR 70 2HB TYR 70 -11.169 7.133 -20.109 543 2HB TYR 70 1HB TYR 70 -12.369 6.309 -19.132 544 HD1 TYR 70 HD1 TYR 70 -9.265 8.363 -18.898 545 HD2 TYR 70 HD2 TYR 70 -12.741 6.921 -16.909 546 HE1 TYR 70 HE1 TYR 70 -8.830 9.900 -17.029 547 HE2 TYR 70 HE2 TYR 70 -12.310 8.453 -15.037 548 HH TYR 70 HH TYR 70 -9.485 9.877 -14.435 549 H GLY 71 H GLY 71 -8.408 3.840 -18.806 550 1HA GLY 71 2HA GLY 71 -6.283 3.770 -19.792 551 2HA GLY 71 1HA GLY 71 -6.646 5.269 -20.624 552 H ASP 72 H ASP 72 -6.965 7.166 -19.039 553 HA ASP 72 HA ASP 72 -4.457 7.656 -17.855 554 1HB ASP 72 1HB ASP 72 -6.057 9.343 -18.873 555 2HB ASP 72 2HB ASP 72 -6.992 9.234 -17.387 556 H LEU 73 H LEU 73 -4.217 8.523 -15.639 557 HA LEU 73 HA LEU 73 -4.358 8.511 -13.370 558 1HB LEU 73 1HB LEU 73 -6.852 8.306 -13.583 559 2HB LEU 73 2HB LEU 73 -6.670 6.569 -13.571 560 HG LEU 73 HG LEU 73 -7.430 7.663 -11.415 561 1HD1 LEU 73 1HD2 LEU 73 -5.987 5.390 -11.855 562 2HD1 LEU 73 2HD2 LEU 73 -6.755 5.844 -10.331 563 3HD1 LEU 73 3HD2 LEU 73 -5.048 6.198 -10.596 564 1HD2 LEU 73 1HD1 LEU 73 -4.588 8.258 -10.790 565 2HD2 LEU 73 2HD1 LEU 73 -6.067 8.916 -10.092 566 3HD2 LEU 73 3HD1 LEU 73 -5.531 9.451 -11.684 567 H ALA 74 H ALA 74 -4.789 5.318 -14.898 568 HA ALA 74 HA ALA 74 -3.080 4.102 -12.887 569 1HB ALA 74 1HB ALA 74 -4.359 2.834 -15.303 570 2HB ALA 74 2HB ALA 74 -5.084 2.920 -13.697 571 3HB ALA 74 3HB ALA 74 -3.601 1.998 -13.948 572 H ALA 75 H ALA 75 -1.776 6.072 -14.371 573 HA ALA 75 HA ALA 75 -0.089 4.719 -16.324 574 1HB ALA 75 1HB ALA 75 0.686 6.838 -16.949 575 2HB ALA 75 2HB ALA 75 0.227 7.560 -15.406 576 3HB ALA 75 3HB ALA 75 -1.018 7.100 -16.570 577 H ARG 76 H ARG 76 -0.164 5.370 -13.013 578 HA ARG 76 HA ARG 76 2.606 4.508 -12.717 579 1HB ARG 76 2HB ARG 76 3.139 6.222 -11.081 580 2HB ARG 76 1HB ARG 76 2.663 6.981 -12.589 581 1HG ARG 76 2HG ARG 76 0.674 6.609 -10.382 582 2HG ARG 76 1HG ARG 76 1.808 7.954 -10.358 583 1HD ARG 76 2HD ARG 76 -0.162 7.347 -12.563 584 2HD ARG 76 1HD ARG 76 -0.356 8.585 -11.327 585 HE ARG 76 HE ARG 76 1.175 8.778 -13.722 586 1HH1 ARG 76 1HH1 ARG 76 1.057 9.930 -10.406 587 2HH1 ARG 76 2HH1 ARG 76 1.992 11.347 -10.747 588 1HH2 ARG 76 1HH2 ARG 76 2.394 10.641 -14.143 589 2HH2 ARG 76 2HH2 ARG 76 2.746 11.750 -12.859 590 H LEU 77 H LEU 77 3.076 3.989 -10.358 591 HA LEU 77 HA LEU 77 0.682 2.781 -9.139 592 1HB LEU 77 2HB LEU 77 3.513 1.794 -9.335 593 2HB LEU 77 1HB LEU 77 2.418 1.177 -8.112 594 HG LEU 77 HG LEU 77 1.697 1.097 -11.033 595 1HD1 LEU 77 1HD1 LEU 77 3.833 -0.040 -10.821 596 2HD1 LEU 77 2HD1 LEU 77 2.534 -1.204 -11.079 597 3HD1 LEU 77 3HD1 LEU 77 3.213 -0.984 -9.466 598 1HD2 LEU 77 1HD2 LEU 77 -0.142 0.715 -9.553 599 2HD2 LEU 77 2HD2 LEU 77 0.805 -0.411 -8.580 600 3HD2 LEU 77 3HD2 LEU 77 0.340 -0.841 -10.228 601 H GLY 78 H GLY 78 0.162 3.334 -7.139 602 1HA GLY 78 1HA GLY 78 2.121 4.913 -5.585 603 2HA GLY 78 2HA GLY 78 0.381 5.161 -5.521 604 H TYR 79 H TYR 79 1.158 4.951 -3.141 605 HA TYR 79 HA TYR 79 0.710 2.157 -2.350 606 1HB TYR 79 2HB TYR 79 2.664 4.064 -1.035 607 2HB TYR 79 1HB TYR 79 2.248 2.461 -0.430 608 HD1 TYR 79 HD1 TYR 79 4.432 4.328 -2.542 609 HD2 TYR 79 HD2 TYR 79 2.754 0.457 -1.990 610 HE1 TYR 79 HE1 TYR 79 6.214 3.363 -3.932 611 HE2 TYR 79 HE2 TYR 79 4.531 -0.517 -3.382 612 HH TYR 79 HH TYR 79 6.510 1.277 -5.362 613 H PHE 80 H PHE 80 -0.541 1.816 -0.547 614 HA PHE 80 HA PHE 80 -1.620 4.087 0.919 615 1HB PHE 80 2HB PHE 80 -3.978 3.304 0.476 616 2HB PHE 80 1HB PHE 80 -3.164 3.996 -0.924 617 HD1 PHE 80 HD1 PHE 80 -4.348 0.845 0.613 618 HD2 PHE 80 HD2 PHE 80 -2.750 2.696 -2.874 619 HE1 PHE 80 HE1 PHE 80 -4.863 -1.174 -0.690 620 HE2 PHE 80 HE2 PHE 80 -3.266 0.678 -4.180 621 HZ PHE 80 HZ PHE 80 -4.323 -1.259 -3.091 622 HA PRO 81 HA PRO 81 -1.557 1.081 4.224 623 1HB PRO 81 2HB PRO 81 -3.809 2.392 5.553 624 2HB PRO 81 1HB PRO 81 -2.118 2.314 6.049 625 1HG PRO 81 2HG PRO 81 -3.266 4.605 5.204 626 2HG PRO 81 1HG PRO 81 -1.556 4.234 4.912 627 1HD PRO 81 2HD PRO 81 -3.893 3.986 3.047 628 2HD PRO 81 1HD PRO 81 -2.265 4.626 2.733 629 H SER 82 H SER 82 -2.475 -0.875 4.587 630 HA SER 82 HA SER 82 -4.689 -1.736 3.061 631 1HB SER 82 2HB SER 82 -4.435 -3.866 4.256 632 2HB SER 82 1HB SER 82 -2.864 -3.233 3.770 633 HG SER 82 HG SER 82 -3.882 -3.664 6.278 634 H SER 83 H SER 83 -4.504 -0.217 6.120 635 HA SER 83 HA SER 83 -6.819 -1.239 7.360 636 1HB SER 83 2HB SER 83 -6.641 0.740 8.830 637 2HB SER 83 1HB SER 83 -5.096 -0.086 8.627 638 HG SER 83 HG SER 83 -4.414 1.828 8.089 639 H ILE 84 H ILE 84 -6.507 1.051 4.756 640 HA ILE 84 HA ILE 84 -9.175 2.119 5.303 641 HB ILE 84 HB ILE 84 -8.842 3.687 3.490 642 1HG1 ILE 84 1HG1 ILE 84 -6.015 2.681 3.215 643 2HG1 ILE 84 2HG1 ILE 84 -7.318 2.108 2.172 644 1HG2 ILE 84 1HG2 ILE 84 -7.498 5.118 4.669 645 2HG2 ILE 84 2HG2 ILE 84 -6.343 3.858 5.102 646 3HG2 ILE 84 3HG2 ILE 84 -7.911 3.931 5.906 647 1HD1 ILE 84 1HD1 ILE 84 -6.879 3.819 0.849 648 2HD1 ILE 84 2HD1 ILE 84 -5.790 4.537 2.038 649 3HD1 ILE 84 3HD1 ILE 84 -7.522 4.868 2.113 650 H VAL 85 H VAL 85 -8.040 -0.567 3.746 651 HA VAL 85 HA VAL 85 -10.275 -0.440 1.820 652 HB VAL 85 HB VAL 85 -9.083 -1.997 0.350 653 1HG1 VAL 85 1HG1 VAL 85 -7.199 0.270 0.875 654 2HG1 VAL 85 2HG1 VAL 85 -8.832 0.563 0.279 655 3HG1 VAL 85 3HG1 VAL 85 -7.712 -0.422 -0.664 656 1HG2 VAL 85 1HG2 VAL 85 -7.557 -3.295 1.388 657 2HG2 VAL 85 2HG2 VAL 85 -7.163 -2.057 2.584 658 3HG2 VAL 85 3HG2 VAL 85 -6.455 -1.980 0.971 659 H ARG 86 H ARG 86 -11.286 -2.445 1.254 660 HA ARG 86 HA ARG 86 -11.210 -4.466 3.392 661 1HB ARG 86 1HB ARG 86 -13.206 -3.009 3.597 662 2HB ARG 86 2HB ARG 86 -13.671 -3.434 1.958 663 1HG ARG 86 1HG ARG 86 -13.934 -5.770 2.639 664 2HG ARG 86 2HG ARG 86 -13.471 -5.337 4.285 665 1HD ARG 86 1HD ARG 86 -15.403 -3.846 4.441 666 2HD ARG 86 2HD ARG 86 -15.863 -4.266 2.792 667 HE ARG 86 HE ARG 86 -16.829 -6.162 3.598 668 1HH1 ARG 86 1HH1 ARG 86 -14.582 -5.029 6.049 669 2HH1 ARG 86 2HH1 ARG 86 -15.031 -6.253 7.186 670 1HH2 ARG 86 1HH2 ARG 86 -17.401 -7.753 5.107 671 2HH2 ARG 86 2HH2 ARG 86 -16.625 -7.792 6.655 672 H GLU 87 H GLU 87 -10.369 -6.227 2.511 673 HA GLU 87 HA GLU 87 -10.569 -6.796 -0.303 674 1HB GLU 87 1HB GLU 87 -9.450 -8.536 1.905 675 2HB GLU 87 2HB GLU 87 -9.189 -8.745 0.182 676 1HG GLU 87 1HG GLU 87 -7.239 -7.752 0.815 677 2HG GLU 87 2HG GLU 87 -8.191 -6.352 0.324 678 H ASP 88 H ASP 88 -11.974 -8.104 -1.304 679 HA ASP 88 HA ASP 88 -13.647 -9.857 0.353 680 1HB ASP 88 2HB ASP 88 -15.579 -9.272 -1.163 681 2HB ASP 88 1HB ASP 88 -15.047 -7.989 -0.083 682 H GLN 89 H GLN 89 -12.126 -9.289 -2.778 683 HA GLN 89 HA GLN 89 -12.431 -12.164 -3.325 684 1HB GLN 89 2HB GLN 89 -14.145 -10.501 -4.503 685 2HB GLN 89 1HB GLN 89 -12.805 -10.300 -5.621 686 1HG GLN 89 1HG GLN 89 -13.934 -12.984 -4.888 687 2HG GLN 89 2HG GLN 89 -14.537 -12.021 -6.234 688 1HE2 GLN 89 1HE2 GLN 89 -12.549 -14.484 -5.450 689 2HE2 GLN 89 2HE2 GLN 89 -11.437 -14.410 -6.773 690 H THR 90 H THR 90 -10.728 -13.119 -4.342 691 HA THR 90 HA THR 90 -8.359 -11.454 -4.856 692 HB THR 90 HB THR 90 -8.565 -14.458 -4.535 693 HG1 THR 90 HG1 THR 90 -8.486 -14.116 -2.485 694 1HG2 THR 90 1HG2 THR 90 -6.012 -13.198 -3.928 695 2HG2 THR 90 2HG2 THR 90 -6.465 -13.101 -5.630 696 3HG2 THR 90 3HG2 THR 90 -6.367 -14.671 -4.832 697 H LEU 91 H LEU 91 -7.750 -11.081 -6.906 698 HA LEU 91 HA LEU 91 -9.184 -12.374 -9.070 699 1HB LEU 91 1HB LEU 91 -7.017 -10.294 -9.301 700 2HB LEU 91 2HB LEU 91 -8.246 -10.697 -10.485 701 HG LEU 91 HG LEU 91 -8.805 -9.402 -7.810 702 1HD1 LEU 91 1HD2 LEU 91 -7.666 -7.763 -8.988 703 2HD1 LEU 91 2HD2 LEU 91 -9.356 -7.430 -9.361 704 3HD1 LEU 91 3HD2 LEU 91 -8.342 -8.266 -10.537 705 1HD2 LEU 91 1HD1 LEU 91 -10.988 -8.842 -9.015 706 2HD2 LEU 91 2HD1 LEU 91 -10.770 -10.498 -8.437 707 3HD2 LEU 91 3HD1 LEU 91 -10.543 -10.122 -10.147 708 H LYS 92 H LYS 92 -6.075 -12.540 -7.585 709 HA LYS 92 HA LYS 92 -5.344 -14.904 -8.945 710 1HB LYS 92 2HB LYS 92 -4.871 -13.112 -10.720 711 2HB LYS 92 1HB LYS 92 -3.568 -12.565 -9.677 712 1HG LYS 92 2HG LYS 92 -2.278 -14.413 -10.067 713 2HG LYS 92 1HG LYS 92 -3.664 -15.452 -10.382 714 1HD LYS 92 1HD LYS 92 -2.850 -13.272 -12.295 715 2HD LYS 92 2HD LYS 92 -2.136 -14.880 -12.353 716 1HE LYS 92 2HE LYS 92 -3.886 -14.892 -13.932 717 2HE LYS 92 1HE LYS 92 -4.480 -15.794 -12.541 718 1HZ LYS 92 1HZ LYS 92 -6.056 -14.268 -12.120 719 2HZ LYS 92 2HZ LYS 92 -5.851 -13.858 -13.747 720 3HZ LYS 92 3HZ LYS 92 -5.078 -12.954 -12.545 721 HA PRO 93 HA PRO 93 -3.239 -15.235 -4.989 722 1HB PRO 93 2HB PRO 93 -1.563 -17.147 -6.556 723 2HB PRO 93 1HB PRO 93 -2.298 -17.354 -4.974 724 1HG PRO 93 1HG PRO 93 -3.424 -18.513 -7.019 725 2HG PRO 93 2HG PRO 93 -4.455 -17.609 -5.886 726 1HD PRO 93 2HD PRO 93 -3.392 -16.769 -8.557 727 2HD PRO 93 1HD PRO 93 -5.035 -16.604 -7.915 728 H GLY 94 H GLY 94 -1.668 -14.099 -4.077 729 1HA GLY 94 1HA GLY 94 0.552 -13.118 -5.751 730 2HA GLY 94 2HA GLY 94 -0.033 -12.343 -4.284 731 H LYS 95 H LYS 95 1.785 -15.005 -5.591 732 HA LYS 95 HA LYS 95 3.001 -15.447 -2.957 733 1HB LYS 95 2HB LYS 95 3.366 -17.836 -3.824 734 2HB LYS 95 1HB LYS 95 1.752 -17.377 -3.298 735 1HG LYS 95 2HG LYS 95 1.117 -16.981 -5.627 736 2HG LYS 95 1HG LYS 95 2.727 -17.489 -6.141 737 1HD LYS 95 2HD LYS 95 2.321 -19.694 -5.113 738 2HD LYS 95 1HD LYS 95 0.692 -19.169 -4.683 739 1HE LYS 95 2HE LYS 95 0.633 -20.505 -6.706 740 2HE LYS 95 1HE LYS 95 0.185 -18.839 -7.062 741 1HZ LYS 95 1HZ LYS 95 2.990 -19.646 -7.374 742 2HZ LYS 95 2HZ LYS 95 2.111 -18.470 -8.213 743 3HZ LYS 95 3HZ LYS 95 1.876 -20.109 -8.561 744 H VAL 96 H VAL 96 3.894 -13.686 -5.158 745 HA VAL 96 HA VAL 96 6.507 -14.945 -5.717 746 HB VAL 96 HB VAL 96 5.179 -12.768 -7.354 747 1HG1 VAL 96 1HG1 VAL 96 7.508 -12.582 -7.651 748 2HG1 VAL 96 2HG1 VAL 96 6.933 -13.499 -9.044 749 3HG1 VAL 96 3HG1 VAL 96 7.723 -14.332 -7.705 750 1HG2 VAL 96 1HG2 VAL 96 4.082 -14.301 -8.538 751 2HG2 VAL 96 2HG2 VAL 96 4.515 -15.477 -7.297 752 3HG2 VAL 96 3HG2 VAL 96 5.534 -15.284 -8.725 753 H ASP 97 H ASP 97 8.351 -13.811 -5.182 754 HA ASP 97 HA ASP 97 7.943 -11.273 -3.731 755 1HB ASP 97 2HB ASP 97 8.756 -13.254 -2.404 756 2HB ASP 97 1HB ASP 97 10.217 -13.241 -3.380 757 H VAL 98 H VAL 98 8.712 -9.516 -4.664 758 HA VAL 98 HA VAL 98 11.048 -9.720 -6.456 759 HB VAL 98 HB VAL 98 8.788 -7.731 -6.791 760 1HG1 VAL 98 1HG1 VAL 98 11.359 -7.647 -7.754 761 2HG1 VAL 98 2HG1 VAL 98 9.976 -6.795 -8.438 762 3HG1 VAL 98 3HG1 VAL 98 10.462 -8.358 -9.096 763 1HG2 VAL 98 1HG2 VAL 98 8.752 -10.479 -7.443 764 2HG2 VAL 98 2HG2 VAL 98 8.921 -9.587 -8.956 765 3HG2 VAL 98 3HG2 VAL 98 7.572 -9.238 -7.873 766 H LYS 99 H LYS 99 12.722 -8.421 -5.950 767 HA LYS 99 HA LYS 99 12.575 -6.728 -3.610 768 1HB LYS 99 1HB LYS 99 14.871 -7.118 -5.550 769 2HB LYS 99 2HB LYS 99 14.968 -6.414 -3.945 770 1HG LYS 99 2HG LYS 99 14.424 -8.517 -2.931 771 2HG LYS 99 1HG LYS 99 14.190 -9.258 -4.512 772 1HD LYS 99 2HD LYS 99 16.329 -9.952 -3.958 773 2HD LYS 99 1HD LYS 99 16.648 -8.518 -4.932 774 1HE LYS 99 2HE LYS 99 16.512 -8.508 -1.918 775 2HE LYS 99 1HE LYS 99 18.006 -8.708 -2.828 776 1HZ LYS 99 1HZ LYS 99 18.010 -6.469 -2.459 777 2HZ LYS 99 2HZ LYS 99 16.326 -6.324 -2.516 778 3HZ LYS 99 3HZ LYS 99 17.208 -6.507 -3.948 779 H THR 100 H THR 100 13.297 -4.448 -3.622 780 HA THR 100 HA THR 100 12.498 -3.082 -6.115 781 HB THR 100 HB THR 100 11.864 -1.160 -4.752 782 HG1 THR 100 HG1 THR 100 13.266 -2.512 -2.840 783 1HG2 THR 100 1HG2 THR 100 10.667 -3.565 -3.418 784 2HG2 THR 100 2HG2 THR 100 10.220 -3.037 -5.040 785 3HG2 THR 100 3HG2 THR 100 9.948 -1.974 -3.658 786 H ASP 101 H ASP 101 13.564 -1.041 -6.602 787 HA ASP 101 HA ASP 101 16.330 -0.913 -5.604 788 1HB ASP 101 1HB ASP 101 16.920 -0.048 -7.932 789 2HB ASP 101 2HB ASP 101 16.555 -1.764 -7.797 790 H LYS 102 H LYS 102 17.252 1.385 -6.626 791 HA LYS 102 HA LYS 102 15.890 3.323 -5.048 792 1HB LYS 102 2HB LYS 102 17.670 4.877 -5.778 793 2HB LYS 102 1HB LYS 102 18.281 3.376 -5.109 794 1HG LYS 102 1HG LYS 102 19.671 3.580 -6.887 795 2HG LYS 102 2HG LYS 102 18.366 2.681 -7.658 796 1HD LYS 102 2HD LYS 102 18.965 4.442 -9.138 797 2HD LYS 102 1HD LYS 102 17.420 4.881 -8.417 798 1HE LYS 102 2HE LYS 102 18.913 6.802 -8.534 799 2HE LYS 102 1HE LYS 102 18.567 6.375 -6.859 800 1HZ LYS 102 1HZ LYS 102 20.980 5.324 -8.187 801 2HZ LYS 102 2HZ LYS 102 20.692 5.564 -6.538 802 3HZ LYS 102 3HZ LYS 102 20.979 6.891 -7.547 803 H TRP 103 H TRP 103 15.483 2.413 -8.310 804 HA TRP 103 HA TRP 103 14.562 5.014 -9.195 805 1HB TRP 103 2HB TRP 103 14.427 2.315 -10.557 806 2HB TRP 103 1HB TRP 103 13.928 3.832 -11.293 807 HD1 TRP 103 HD1 TRP 103 17.052 1.880 -10.289 808 HE1 TRP 103 HE1 TRP 103 19.104 2.962 -11.403 809 HE3 TRP 103 HE3 TRP 103 14.825 6.064 -12.211 810 HZ2 TRP 103 HZ2 TRP 103 19.701 5.283 -12.890 811 HZ3 TRP 103 HZ3 TRP 103 16.209 7.665 -13.466 812 HH2 TRP 103 HH2 TRP 103 18.597 7.280 -13.798 813 H ASP 104 H ASP 104 13.273 2.730 -7.230 814 HA ASP 104 HA ASP 104 10.522 3.023 -8.170 815 1HB ASP 104 2HB ASP 104 11.822 1.243 -6.116 816 2HB ASP 104 1HB ASP 104 10.074 1.391 -6.238 817 H PHE 105 H PHE 105 12.673 4.138 -5.669 818 HA PHE 105 HA PHE 105 10.434 5.645 -4.490 819 1HB PHE 105 2HB PHE 105 12.819 4.538 -2.985 820 2HB PHE 105 1HB PHE 105 11.523 5.504 -2.290 821 HD1 PHE 105 HD1 PHE 105 12.550 2.208 -3.381 822 HD2 PHE 105 HD2 PHE 105 9.243 4.554 -2.079 823 HE1 PHE 105 HE1 PHE 105 11.277 0.155 -2.925 824 HE2 PHE 105 HE2 PHE 105 7.967 2.497 -1.619 825 HZ PHE 105 HZ PHE 105 8.985 0.299 -2.042 826 H TYR 106 H TYR 106 11.383 6.976 -6.392 827 HA TYR 106 HA TYR 106 12.890 9.150 -5.209 828 1HB TYR 106 2HB TYR 106 14.564 7.513 -6.271 829 2HB TYR 106 1HB TYR 106 13.871 7.965 -7.818 830 HD1 TYR 106 HD1 TYR 106 15.886 8.812 -8.744 831 HD2 TYR 106 HD2 TYR 106 14.442 10.424 -5.063 832 HE1 TYR 106 HE1 TYR 106 17.486 10.667 -8.923 833 HE2 TYR 106 HE2 TYR 106 16.025 12.273 -5.251 834 HH TYR 106 HH TYR 106 18.635 12.300 -6.996 835 H CYS 107 H CYS 107 12.045 11.071 -5.919 836 HA CYS 107 HA CYS 107 10.327 10.954 -8.313 837 1HB CYS 107 2HB CYS 107 9.395 11.137 -5.807 838 2HB CYS 107 1HB CYS 107 9.619 12.844 -6.158 839 H GLN 108 HN GLN 108 13.082 11.935 -8.077 840 HA GLN 108 HA GLN 108 12.612 14.739 -8.818 841 1HB GLN 108 1HB GLN 108 15.056 13.458 -7.612 842 2HB GLN 108 2HB GLN 108 15.069 15.059 -8.327 843 1HG GLN 108 2HG GLN 108 13.287 15.717 -6.718 844 2HG GLN 108 1HG GLN 108 13.483 14.145 -5.945 845 1HE2 GLN 108 1HE2 GLN 108 14.271 17.275 -5.673 846 2HE2 GLN 108 2HE2 GLN 108 15.764 17.148 -4.813 Start of MODEL 16 1 1H MET 1 1HT MET 1 7.113 15.376 -3.033 2 2H MET 1 2HT MET 1 6.765 13.908 -3.797 3 3H MET 1 3HT MET 1 5.970 15.320 -4.280 4 HA MET 1 HA MET 1 7.924 14.416 -5.684 5 1HB MET 1 2HB MET 1 6.624 16.576 -5.901 6 2HB MET 1 1HB MET 1 7.841 17.333 -4.885 7 1HG MET 1 2HG MET 1 8.316 17.834 -7.172 8 2HG MET 1 1HG MET 1 9.556 16.740 -6.563 9 1HE MET 1 1HE MET 1 8.966 15.955 -10.423 10 2HE MET 1 2HE MET 1 10.281 16.028 -9.251 11 3HE MET 1 3HE MET 1 9.212 17.415 -9.463 12 H GLY 2 H GLY 2 9.978 13.779 -5.510 13 1HA GLY 2 2HA GLY 2 12.287 14.408 -4.975 14 2HA GLY 2 1HA GLY 2 11.680 15.060 -3.462 15 HA PRO 3 HA PRO 3 13.012 10.618 -2.815 16 1HB PRO 3 2HB PRO 3 15.194 11.241 -1.176 17 2HB PRO 3 1HB PRO 3 15.259 10.707 -2.847 18 1HG PRO 3 1HG PRO 3 15.929 13.249 -1.800 19 2HG PRO 3 2HG PRO 3 15.955 12.735 -3.483 20 1HD PRO 3 1HD PRO 3 14.002 14.379 -2.076 21 2HD PRO 3 2HD PRO 3 14.259 14.178 -3.814 22 H MET 4 H MET 4 12.032 9.578 -1.244 23 HA MET 4 HA MET 4 11.863 10.731 1.443 24 1HB MET 4 2HB MET 4 9.390 9.938 1.416 25 2HB MET 4 1HB MET 4 9.795 11.451 0.624 26 1HG MET 4 2HG MET 4 8.312 10.361 -0.821 27 2HG MET 4 1HG MET 4 9.907 10.146 -1.537 28 1HE MET 4 1HE MET 4 7.123 8.774 0.531 29 2HE MET 4 2HE MET 4 8.214 7.760 1.475 30 3HE MET 4 3HE MET 4 7.145 7.028 0.276 31 HA PRO 5 HA PRO 5 12.616 6.740 3.311 32 1HB PRO 5 1HB PRO 5 10.080 6.078 4.392 33 2HB PRO 5 2HB PRO 5 11.433 6.842 5.224 34 1HG PRO 5 1HG PRO 5 9.042 8.083 3.972 35 2HG PRO 5 2HG PRO 5 9.946 8.575 5.418 36 1HD PRO 5 1HD PRO 5 10.214 9.919 3.159 37 2HD PRO 5 2HD PRO 5 11.637 9.581 4.161 38 H LYS 6 H LYS 6 12.553 4.596 2.826 39 HA LYS 6 HA LYS 6 11.289 3.843 0.379 40 1HB LYS 6 2HB LYS 6 12.839 2.157 2.350 41 2HB LYS 6 1HB LYS 6 12.429 1.699 0.704 42 1HG LYS 6 2HG LYS 6 13.792 3.565 -0.137 43 2HG LYS 6 1HG LYS 6 14.233 3.966 1.523 44 1HD LYS 6 1HD LYS 6 14.718 1.205 0.478 45 2HD LYS 6 2HD LYS 6 15.831 2.508 0.063 46 1HE LYS 6 1HE LYS 6 16.711 1.406 1.982 47 2HE LYS 6 2HE LYS 6 16.082 2.965 2.512 48 1HZ LYS 6 1HZ LYS 6 15.557 0.816 3.844 49 2HZ LYS 6 2HZ LYS 6 14.352 0.599 2.679 50 3HZ LYS 6 3HZ LYS 6 14.360 1.994 3.636 51 H LEU 7 H LEU 7 10.512 3.411 3.728 52 HA LEU 7 HA LEU 7 8.651 2.650 4.793 53 1HB LEU 7 2HB LEU 7 7.689 2.007 2.014 54 2HB LEU 7 1HB LEU 7 6.844 1.389 3.410 55 HG LEU 7 HG LEU 7 5.659 3.293 2.667 56 1HD1 LEU 7 1HD1 LEU 7 5.805 3.169 5.069 57 2HD1 LEU 7 2HD1 LEU 7 5.784 4.853 4.544 58 3HD1 LEU 7 3HD1 LEU 7 7.300 4.107 5.054 59 1HD2 LEU 7 1HD2 LEU 7 8.212 4.291 1.934 60 2HD2 LEU 7 2HD2 LEU 7 7.391 5.481 2.945 61 3HD2 LEU 7 3HD2 LEU 7 6.605 4.871 1.485 62 H ALA 8 H ALA 8 9.745 0.423 2.246 63 HA ALA 8 HA ALA 8 10.357 -1.590 4.250 64 1HB ALA 8 1HB ALA 8 9.117 -3.342 3.091 65 2HB ALA 8 2HB ALA 8 8.515 -2.161 1.927 66 3HB ALA 8 3HB ALA 8 8.033 -2.056 3.620 67 H ASP 9 H ASP 9 10.929 -3.712 2.532 68 HA ASP 9 HA ASP 9 12.998 -2.574 0.767 69 1HB ASP 9 2HB ASP 9 13.956 -3.586 2.808 70 2HB ASP 9 1HB ASP 9 13.181 -5.114 2.405 71 H ARG 10 H ARG 10 10.822 -5.332 1.318 72 HA ARG 10 HA ARG 10 10.895 -5.862 -1.582 73 1HB ARG 10 2HB ARG 10 10.710 -7.913 0.620 74 2HB ARG 10 1HB ARG 10 10.572 -8.259 -1.095 75 1HG ARG 10 2HG ARG 10 12.857 -7.517 -1.448 76 2HG ARG 10 1HG ARG 10 13.000 -7.106 0.264 77 1HD ARG 10 1HD ARG 10 12.546 -9.471 0.817 78 2HD ARG 10 2HD ARG 10 12.549 -9.845 -0.904 79 HE ARG 10 HE ARG 10 14.946 -8.548 -0.296 80 1HH1 ARG 10 1HH1 ARG 10 13.359 -11.595 0.418 81 2HH1 ARG 10 2HH1 ARG 10 14.848 -12.454 0.616 82 1HH2 ARG 10 1HH2 ARG 10 16.887 -9.694 -0.031 83 2HH2 ARG 10 2HH2 ARG 10 16.844 -11.380 0.364 84 H LYS 11 H LYS 11 8.986 -6.967 -2.421 85 HA LYS 11 HA LYS 11 6.519 -6.362 -0.939 86 1HB LYS 11 2HB LYS 11 5.531 -5.687 -3.138 87 2HB LYS 11 1HB LYS 11 6.815 -4.622 -2.577 88 1HG LYS 11 2HG LYS 11 8.387 -5.930 -4.053 89 2HG LYS 11 1HG LYS 11 6.958 -6.704 -4.740 90 1HD LYS 11 2HD LYS 11 6.125 -4.615 -5.531 91 2HD LYS 11 1HD LYS 11 7.383 -3.731 -4.664 92 1HE LYS 11 2HE LYS 11 9.085 -4.811 -6.062 93 2HE LYS 11 1HE LYS 11 7.814 -5.659 -6.943 94 1HZ LYS 11 1HZ LYS 11 6.916 -3.349 -7.443 95 2HZ LYS 11 2HZ LYS 11 8.323 -3.819 -8.255 96 3HZ LYS 11 3HZ LYS 11 8.420 -2.766 -6.934 97 H LEU 12 H LEU 12 4.589 -7.393 -2.140 98 HA LEU 12 HA LEU 12 5.290 -10.128 -2.983 99 1HB LEU 12 2HB LEU 12 2.899 -9.206 -1.377 100 2HB LEU 12 1HB LEU 12 3.097 -10.824 -2.016 101 HG LEU 12 HG LEU 12 4.958 -9.566 0.004 102 1HD1 LEU 12 1HD1 LEU 12 3.759 -10.505 1.710 103 2HD1 LEU 12 2HD1 LEU 12 3.059 -11.754 0.678 104 3HD1 LEU 12 3HD1 LEU 12 2.448 -10.100 0.601 105 1HD2 LEU 12 1HD2 LEU 12 4.738 -12.308 -1.203 106 2HD2 LEU 12 2HD2 LEU 12 5.520 -12.037 0.354 107 3HD2 LEU 12 3HD2 LEU 12 6.152 -11.259 -1.097 108 H CYS 13 H CYS 13 4.873 -10.375 -5.064 109 HA CYS 13 HA CYS 13 2.505 -9.057 -6.220 110 1HB CYS 13 2HB CYS 13 5.120 -9.662 -7.620 111 2HB CYS 13 1HB CYS 13 3.722 -8.864 -8.331 112 H ALA 14 H ALA 14 1.855 -10.192 -8.354 113 HA ALA 14 HA ALA 14 1.373 -12.962 -7.726 114 1HB ALA 14 1HB ALA 14 0.056 -12.900 -9.880 115 2HB ALA 14 2HB ALA 14 0.469 -11.188 -9.976 116 3HB ALA 14 3HB ALA 14 -0.476 -11.792 -8.614 117 H ASP 15 H ASP 15 3.142 -11.165 -10.211 118 HA ASP 15 HA ASP 15 4.549 -13.655 -10.907 119 1HB ASP 15 2HB ASP 15 3.476 -11.528 -12.747 120 2HB ASP 15 1HB ASP 15 4.825 -12.547 -13.233 121 H GLN 16 H GLN 16 6.638 -13.066 -12.192 122 HA GLN 16 HA GLN 16 8.327 -11.625 -10.436 123 1HB GLN 16 2HB GLN 16 8.981 -13.582 -11.868 124 2HB GLN 16 1HB GLN 16 8.936 -12.512 -13.261 125 1HG GLN 16 2HG GLN 16 10.706 -11.147 -12.270 126 2HG GLN 16 1HG GLN 16 10.750 -12.223 -10.875 127 1HE2 GLN 16 1HE2 GLN 16 12.254 -11.497 -13.671 128 2HE2 GLN 16 2HE2 GLN 16 13.000 -13.016 -14.020 129 H GLU 17 H GLU 17 6.419 -10.638 -13.119 130 HA GLU 17 HA GLU 17 7.966 -8.228 -13.651 131 1HB GLU 17 2HB GLU 17 5.268 -9.055 -14.745 132 2HB GLU 17 1HB GLU 17 6.265 -7.736 -15.334 133 1HG GLU 17 1HG GLU 17 7.988 -9.376 -15.981 134 2HG GLU 17 2HG GLU 17 6.905 -10.667 -15.468 135 H CYS 18 H CYS 18 5.383 -9.280 -11.671 136 HA CYS 18 HA CYS 18 3.949 -8.294 -10.228 137 1HB CYS 18 1HB CYS 18 6.163 -7.234 -9.483 138 2HB CYS 18 2HB CYS 18 5.648 -5.799 -10.363 139 H SER 19 H SER 19 3.649 -8.060 -13.098 140 HA SER 19 HA SER 19 2.119 -5.591 -13.417 141 1HB SER 19 2HB SER 19 3.813 -5.987 -15.110 142 2HB SER 19 1HB SER 19 3.150 -7.581 -15.433 143 HG SER 19 HG SER 19 2.437 -6.056 -16.971 144 H HIS 20 H HIS 20 1.078 -7.509 -11.742 145 HA HIS 20 HA HIS 20 -1.360 -8.301 -13.154 146 1HB HIS 20 2HB HIS 20 0.588 -10.089 -11.801 147 2HB HIS 20 1HB HIS 20 -1.117 -10.427 -11.541 148 HD1 HIS 20 HD1 HIS 20 -2.521 -11.031 -13.682 149 HD2 HIS 20 HD2 HIS 20 1.591 -10.888 -14.237 150 HE1 HIS 20 HE1 HIS 20 -2.089 -12.315 -15.789 151 HE2 HIS 20 HE2 HIS 20 0.412 -12.253 -16.093 152 HA PRO 21 HA PRO 21 -3.024 -6.839 -9.251 153 1HB PRO 21 1HB PRO 21 -5.670 -7.205 -9.831 154 2HB PRO 21 2HB PRO 21 -4.700 -5.874 -10.465 155 1HG PRO 21 1HG PRO 21 -5.813 -8.151 -11.875 156 2HG PRO 21 2HG PRO 21 -5.050 -6.698 -12.536 157 1HD PRO 21 1HD PRO 21 -3.918 -9.360 -12.137 158 2HD PRO 21 2HD PRO 21 -3.277 -7.994 -13.072 159 H ILE 22 H ILE 22 -2.812 -8.030 -7.453 160 HA ILE 22 HA ILE 22 -3.354 -10.792 -7.303 161 HB ILE 22 HB ILE 22 -3.034 -8.865 -4.991 162 1HG1 ILE 22 2HG1 ILE 22 -0.929 -10.618 -6.286 163 2HG1 ILE 22 1HG1 ILE 22 -1.145 -8.912 -6.676 164 1HG2 ILE 22 1HG2 ILE 22 -2.134 -11.625 -4.640 165 2HG2 ILE 22 2HG2 ILE 22 -3.872 -11.493 -4.918 166 3HG2 ILE 22 3HG2 ILE 22 -3.121 -10.614 -3.584 167 1HD1 ILE 22 1HD1 ILE 22 -0.817 -8.513 -4.159 168 2HD1 ILE 22 2HD1 ILE 22 0.591 -8.914 -5.144 169 3HD1 ILE 22 3HD1 ILE 22 -0.164 -10.152 -4.139 170 H SER 23 H SER 23 -4.993 -8.183 -5.464 171 HA SER 23 HA SER 23 -7.515 -9.634 -5.844 172 1HB SER 23 2HB SER 23 -6.519 -8.639 -3.166 173 2HB SER 23 1HB SER 23 -8.090 -9.376 -3.474 174 HG SER 23 HG SER 23 -6.612 -10.904 -2.673 175 H MET 24 H MET 24 -9.346 -8.428 -5.863 176 HA MET 24 HA MET 24 -9.018 -5.553 -6.214 177 1HB MET 24 1HB MET 24 -10.268 -6.993 -7.866 178 2HB MET 24 2HB MET 24 -11.488 -7.245 -6.627 179 1HG MET 24 2HG MET 24 -10.755 -4.458 -7.328 180 2HG MET 24 1HG MET 24 -11.723 -5.383 -8.466 181 1HE MET 24 1HE MET 24 -13.732 -6.591 -7.951 182 2HE MET 24 2HE MET 24 -15.032 -5.900 -6.980 183 3HE MET 24 3HE MET 24 -13.921 -7.068 -6.263 184 H ALA 25 H ALA 25 -9.213 -4.328 -4.438 185 HA ALA 25 HA ALA 25 -11.044 -5.241 -2.317 186 1HB ALA 25 1HB ALA 25 -8.340 -4.619 -2.173 187 2HB ALA 25 2HB ALA 25 -9.450 -4.849 -0.823 188 3HB ALA 25 3HB ALA 25 -9.158 -3.230 -1.458 189 H VAL 26 H VAL 26 -12.388 -3.819 -1.292 190 HA VAL 26 HA VAL 26 -13.069 -1.409 -2.820 191 HB VAL 26 HB VAL 26 -14.606 -2.698 -0.545 192 1HG1 VAL 26 1HG2 VAL 26 -15.747 -0.773 -0.616 193 2HG1 VAL 26 2HG2 VAL 26 -16.399 -1.363 -2.146 194 3HG1 VAL 26 3HG2 VAL 26 -15.002 -0.286 -2.139 195 1HG2 VAL 26 1HG1 VAL 26 -15.928 -3.046 -3.020 196 2HG2 VAL 26 2HG1 VAL 26 -15.261 -4.283 -1.955 197 3HG2 VAL 26 3HG1 VAL 26 -14.262 -3.587 -3.231 198 H ALA 27 H ALA 27 -12.990 0.647 -1.971 199 HA ALA 27 HA ALA 27 -11.394 1.001 0.435 200 1HB ALA 27 1HB ALA 27 -10.894 2.277 -1.623 201 2HB ALA 27 2HB ALA 27 -11.200 3.305 -0.223 202 3HB ALA 27 3HB ALA 27 -12.446 3.097 -1.455 203 H LEU 28 H LEU 28 -12.101 1.751 2.337 204 HA LEU 28 HA LEU 28 -14.969 2.337 2.579 205 1HB LEU 28 2HB LEU 28 -13.005 1.014 4.409 206 2HB LEU 28 1HB LEU 28 -14.441 1.770 5.071 207 HG LEU 28 HG LEU 28 -15.771 0.272 3.469 208 1HD1 LEU 28 1HD1 LEU 28 -13.082 -1.077 3.326 209 2HD1 LEU 28 2HD1 LEU 28 -14.054 -0.468 1.986 210 3HD1 LEU 28 3HD1 LEU 28 -14.605 -1.863 2.911 211 1HD2 LEU 28 1HD2 LEU 28 -15.393 -1.732 5.028 212 2HD2 LEU 28 2HD2 LEU 28 -15.941 -0.213 5.736 213 3HD2 LEU 28 3HD2 LEU 28 -14.246 -0.684 5.861 214 H GLN 29 H GLN 29 -12.102 4.032 2.531 215 HA GLN 29 HA GLN 29 -13.307 6.153 4.169 216 1HB GLN 29 2HB GLN 29 -10.434 5.256 4.478 217 2HB GLN 29 1HB GLN 29 -11.134 6.679 5.230 218 1HG GLN 29 2HG GLN 29 -12.823 4.809 6.138 219 2HG GLN 29 1HG GLN 29 -11.353 3.848 5.950 220 1HE2 GLN 29 1HE2 GLN 29 -13.031 5.981 7.909 221 2HE2 GLN 29 2HE2 GLN 29 -11.772 6.364 9.023 222 H ASP 30 H ASP 30 -12.046 8.201 4.065 223 HA ASP 30 HA ASP 30 -11.334 8.819 1.289 224 1HB ASP 30 1HB ASP 30 -11.966 10.617 3.650 225 2HB ASP 30 2HB ASP 30 -11.558 11.192 2.037 226 H TYR 31 H TYR 31 -9.299 9.514 0.736 227 HA TYR 31 HA TYR 31 -7.360 10.206 2.783 228 1HB TYR 31 2HB TYR 31 -7.371 7.644 2.385 229 2HB TYR 31 1HB TYR 31 -6.639 8.026 0.834 230 HD1 TYR 31 HD1 TYR 31 -4.336 8.208 0.669 231 HD2 TYR 31 HD2 TYR 31 -6.156 8.625 4.492 232 HE1 TYR 31 HE1 TYR 31 -2.115 8.280 1.713 233 HE2 TYR 31 HE2 TYR 31 -3.937 8.699 5.548 234 HH TYR 31 HH TYR 31 -1.620 9.244 4.927 235 H MET 32 H MET 32 -5.689 11.474 2.045 236 HA MET 32 HA MET 32 -5.769 12.223 -0.808 237 1HB MET 32 2HB MET 32 -4.934 13.902 1.569 238 2HB MET 32 1HB MET 32 -4.883 14.423 -0.109 239 1HG MET 32 1HG MET 32 -7.375 13.666 1.404 240 2HG MET 32 2HG MET 32 -6.818 15.307 1.104 241 1HE MET 32 1HE MET 32 -5.857 15.196 -2.048 242 2HE MET 32 2HE MET 32 -6.692 16.450 -1.131 243 3HE MET 32 3HE MET 32 -7.379 15.859 -2.644 244 H ALA 33 H ALA 33 -3.846 12.338 -1.947 245 HA ALA 33 HA ALA 33 -1.646 10.824 -0.839 246 1HB ALA 33 1HB ALA 33 -2.418 11.795 -3.529 247 2HB ALA 33 2HB ALA 33 -1.913 10.190 -3.002 248 3HB ALA 33 3HB ALA 33 -0.712 11.460 -3.233 249 HA PRO 34 HA PRO 34 0.448 14.695 0.288 250 1HB PRO 34 2HB PRO 34 2.391 13.055 1.682 251 2HB PRO 34 1HB PRO 34 1.206 14.173 2.355 252 1HG PRO 34 2HG PRO 34 1.060 11.486 2.687 253 2HG PRO 34 1HG PRO 34 -0.375 12.532 2.634 254 1HD PRO 34 2HD PRO 34 0.818 10.836 0.461 255 2HD PRO 34 1HD PRO 34 -0.883 11.030 0.932 256 H ASP 35 H ASP 35 2.549 11.836 -0.241 257 HA ASP 35 HA ASP 35 4.429 13.505 -1.700 258 1HB ASP 35 2HB ASP 35 5.915 11.520 -1.619 259 2HB ASP 35 1HB ASP 35 5.385 12.059 -0.031 260 H CYS 36 H CYS 36 5.532 12.501 -3.589 261 HA CYS 36 HA CYS 36 3.802 12.319 -5.766 262 1HB CYS 36 1HB CYS 36 6.034 13.168 -5.989 263 2HB CYS 36 2HB CYS 36 6.726 11.642 -5.458 264 H ARG 37 H ARG 37 5.040 9.713 -3.750 265 HA ARG 37 HA ARG 37 4.182 7.783 -5.784 266 1HB ARG 37 2HB ARG 37 5.402 6.086 -4.418 267 2HB ARG 37 1HB ARG 37 6.413 7.367 -5.070 268 1HG ARG 37 2HG ARG 37 7.256 7.389 -2.995 269 2HG ARG 37 1HG ARG 37 5.857 8.407 -2.657 270 1HD ARG 37 2HD ARG 37 5.717 6.864 -0.957 271 2HD ARG 37 1HD ARG 37 4.668 6.142 -2.174 272 HE ARG 37 HE ARG 37 7.241 5.144 -2.564 273 1HH1 ARG 37 1HH1 ARG 37 4.677 4.960 -0.184 274 2HH1 ARG 37 2HH1 ARG 37 5.176 3.412 0.407 275 1HH2 ARG 37 1HH2 ARG 37 7.876 3.107 -1.782 276 2HH2 ARG 37 2HH2 ARG 37 6.987 2.363 -0.496 277 H PHE 38 H PHE 38 2.427 9.306 -3.707 278 HA PHE 38 HA PHE 38 1.136 6.890 -2.606 279 1HB PHE 38 2HB PHE 38 1.608 9.533 -1.481 280 2HB PHE 38 1HB PHE 38 -0.084 9.067 -1.376 281 HD1 PHE 38 HD1 PHE 38 3.220 7.329 -0.868 282 HD2 PHE 38 HD2 PHE 38 -0.672 8.179 0.633 283 HE1 PHE 38 HE1 PHE 38 3.690 5.963 1.118 284 HE2 PHE 38 HE2 PHE 38 -0.202 6.815 2.623 285 HZ PHE 38 HZ PHE 38 1.980 5.704 2.869 286 H LEU 39 H LEU 39 -1.272 6.950 -2.488 287 HA LEU 39 HA LEU 39 -2.368 8.165 -4.946 288 1HB LEU 39 1HB LEU 39 -2.991 5.593 -3.532 289 2HB LEU 39 2HB LEU 39 -4.126 6.305 -4.660 290 HG LEU 39 HG LEU 39 -1.295 5.650 -5.446 291 1HD1 LEU 39 1HD1 LEU 39 -2.088 3.550 -4.813 292 2HD1 LEU 39 2HD1 LEU 39 -2.441 3.631 -6.539 293 3HD1 LEU 39 3HD1 LEU 39 -3.727 3.900 -5.362 294 1HD2 LEU 39 1HD2 LEU 39 -2.570 7.216 -6.869 295 2HD2 LEU 39 2HD2 LEU 39 -3.816 5.982 -7.063 296 3HD2 LEU 39 3HD2 LEU 39 -2.191 5.702 -7.691 297 H THR 40 H THR 40 -4.414 9.046 -4.982 298 HA THR 40 HA THR 40 -5.476 9.892 -2.376 299 HB THR 40 HB THR 40 -6.070 10.986 -5.146 300 HG1 THR 40 HG1 THR 40 -4.780 12.736 -4.449 301 1HG2 THR 40 1HG2 THR 40 -6.598 12.469 -2.610 302 2HG2 THR 40 2HG2 THR 40 -7.785 11.317 -3.224 303 3HG2 THR 40 3HG2 THR 40 -7.299 12.693 -4.214 304 H ILE 41 H ILE 41 -7.006 8.601 -1.638 305 HA ILE 41 HA ILE 41 -8.814 7.266 -3.536 306 HB ILE 41 HB ILE 41 -7.783 6.469 -0.814 307 1HG1 ILE 41 1HG1 ILE 41 -7.861 4.897 -3.391 308 2HG1 ILE 41 2HG1 ILE 41 -6.541 6.000 -2.994 309 1HG2 ILE 41 1HG2 ILE 41 -10.088 5.908 -0.644 310 2HG2 ILE 41 2HG2 ILE 41 -9.226 4.420 -1.032 311 3HG2 ILE 41 3HG2 ILE 41 -10.122 5.271 -2.289 312 1HD1 ILE 41 1HD1 ILE 41 -6.750 4.417 -0.743 313 2HD1 ILE 41 2HD1 ILE 41 -5.558 4.258 -2.038 314 3HD1 ILE 41 3HD1 ILE 41 -7.039 3.300 -2.080 315 H HIS 42 H HIS 42 -11.019 7.058 -3.039 316 HA HIS 42 HA HIS 42 -12.077 9.027 -1.125 317 1HB HIS 42 2HB HIS 42 -13.125 8.239 -3.854 318 2HB HIS 42 1HB HIS 42 -14.084 9.134 -2.680 319 HD1 HIS 42 HD1 HIS 42 -12.560 11.392 -1.779 320 HD2 HIS 42 HD2 HIS 42 -12.002 9.925 -5.627 321 HE1 HIS 42 HE1 HIS 42 -11.535 13.285 -3.079 322 HE2 HIS 42 HE2 HIS 42 -11.258 12.392 -5.419 323 H ARG 43 H ARG 43 -13.971 8.414 -0.007 324 HA ARG 43 HA ARG 43 -14.047 5.732 0.820 325 1HB ARG 43 2HB ARG 43 -14.735 7.759 2.151 326 2HB ARG 43 1HB ARG 43 -16.212 7.805 1.207 327 1HG ARG 43 1HG ARG 43 -16.792 5.580 2.047 328 2HG ARG 43 2HG ARG 43 -15.316 5.571 3.004 329 1HD ARG 43 2HD ARG 43 -16.110 7.625 4.149 330 2HD ARG 43 1HD ARG 43 -17.630 7.481 3.268 331 HE ARG 43 HE ARG 43 -16.832 6.013 5.575 332 1HH1 ARG 43 1HH1 ARG 43 -18.821 5.803 2.689 333 2HH1 ARG 43 2HH1 ARG 43 -19.850 4.579 3.351 334 1HH2 ARG 43 1HH2 ARG 43 -18.199 4.411 6.422 335 2HH2 ARG 43 2HH2 ARG 43 -19.500 3.792 5.462 336 H GLY 44 H GLY 44 -14.538 4.176 -0.631 337 1HA GLY 44 2HA GLY 44 -16.418 2.864 -1.451 338 2HA GLY 44 1HA GLY 44 -17.165 4.367 -1.970 339 H GLN 45 H GLN 45 -13.778 4.137 -2.566 340 HA GLN 45 HA GLN 45 -14.300 3.947 -5.425 341 1HB GLN 45 2HB GLN 45 -12.213 5.120 -3.741 342 2HB GLN 45 1HB GLN 45 -11.581 4.300 -5.156 343 1HG GLN 45 2HG GLN 45 -13.324 5.651 -6.469 344 2HG GLN 45 1HG GLN 45 -13.455 6.633 -5.011 345 1HE2 GLN 45 1HE2 GLN 45 -12.036 6.487 -7.924 346 2HE2 GLN 45 2HE2 GLN 45 -10.612 7.417 -7.625 347 H VAL 46 H VAL 46 -13.433 2.431 -6.793 348 HA VAL 46 HA VAL 46 -12.779 -0.138 -5.611 349 HB VAL 46 HB VAL 46 -12.821 0.545 -8.559 350 1HG1 VAL 46 1HG1 VAL 46 -12.611 -1.927 -6.981 351 2HG1 VAL 46 2HG1 VAL 46 -12.032 -1.558 -8.605 352 3HG1 VAL 46 3HG1 VAL 46 -13.721 -1.993 -8.349 353 1HG2 VAL 46 1HG2 VAL 46 -15.214 -0.781 -7.707 354 2HG2 VAL 46 2HG2 VAL 46 -15.030 0.752 -8.561 355 3HG2 VAL 46 3HG2 VAL 46 -15.006 0.716 -6.797 356 H VAL 47 H VAL 47 -10.735 -0.613 -5.059 357 HA VAL 47 HA VAL 47 -8.550 0.524 -6.687 358 HB VAL 47 HB VAL 47 -8.273 -0.233 -3.781 359 1HG1 VAL 47 1HG1 VAL 47 -6.274 1.154 -3.875 360 2HG1 VAL 47 2HG1 VAL 47 -6.598 1.523 -5.569 361 3HG1 VAL 47 3HG1 VAL 47 -6.209 -0.127 -5.085 362 1HG2 VAL 47 1HG2 VAL 47 -8.195 2.451 -3.687 363 2HG2 VAL 47 2HG2 VAL 47 -9.657 1.513 -3.384 364 3HG2 VAL 47 3HG2 VAL 47 -9.384 2.231 -4.971 365 H TYR 48 H TYR 48 -7.093 -0.831 -7.539 366 HA TYR 48 HA TYR 48 -7.361 -3.687 -6.926 367 1HB TYR 48 2HB TYR 48 -6.158 -2.281 -9.321 368 2HB TYR 48 1HB TYR 48 -6.054 -4.013 -9.061 369 HD1 TYR 48 HD1 TYR 48 -8.617 -1.287 -9.353 370 HD2 TYR 48 HD2 TYR 48 -7.666 -5.388 -9.976 371 HE1 TYR 48 HE1 TYR 48 -10.764 -1.607 -10.504 372 HE2 TYR 48 HE2 TYR 48 -9.811 -5.714 -11.129 373 HH TYR 48 HH TYR 48 -12.330 -3.515 -10.987 374 H VAL 49 H VAL 49 -5.844 -4.686 -5.780 375 HA VAL 49 HA VAL 49 -3.413 -3.268 -5.053 376 HB VAL 49 HB VAL 49 -4.314 -6.015 -4.151 377 1HG1 VAL 49 1HG1 VAL 49 -2.826 -5.636 -2.251 378 2HG1 VAL 49 2HG1 VAL 49 -2.350 -4.079 -2.925 379 3HG1 VAL 49 3HG1 VAL 49 -1.941 -5.569 -3.774 380 1HG2 VAL 49 1HG2 VAL 49 -5.319 -3.382 -3.461 381 2HG2 VAL 49 2HG2 VAL 49 -4.718 -4.256 -2.053 382 3HG2 VAL 49 3HG2 VAL 49 -5.964 -4.976 -3.071 383 H PHE 50 H PHE 50 -1.442 -3.648 -5.865 384 HA PHE 50 HA PHE 50 -1.107 -5.928 -7.696 385 1HB PHE 50 2HB PHE 50 0.007 -3.140 -7.747 386 2HB PHE 50 1HB PHE 50 0.855 -4.444 -8.568 387 HD1 PHE 50 HD1 PHE 50 -2.593 -2.986 -8.354 388 HD2 PHE 50 HD2 PHE 50 0.395 -4.820 -10.770 389 HE1 PHE 50 HE1 PHE 50 -4.025 -2.705 -10.333 390 HE2 PHE 50 HE2 PHE 50 -1.034 -4.541 -12.752 391 HZ PHE 50 HZ PHE 50 -3.246 -3.482 -12.535 392 H SER 51 H SER 51 0.505 -4.034 -5.157 393 HA SER 51 HA SER 51 2.204 -6.364 -4.603 394 1HB SER 51 2HB SER 51 4.146 -4.852 -4.218 395 2HB SER 51 1HB SER 51 3.618 -4.885 -5.897 396 HG SER 51 HG SER 51 4.038 -2.756 -4.755 397 H LYS 52 H LYS 52 2.760 -6.707 -2.490 398 HA LYS 52 HA LYS 52 1.633 -4.842 -0.489 399 1HB LYS 52 2HB LYS 52 1.845 -7.830 -0.103 400 2HB LYS 52 1HB LYS 52 0.999 -6.678 0.907 401 1HG LYS 52 1HG LYS 52 -0.653 -6.313 -0.816 402 2HG LYS 52 2HG LYS 52 0.219 -7.386 -1.912 403 1HD LYS 52 1HD LYS 52 -0.145 -9.252 -0.363 404 2HD LYS 52 2HD LYS 52 -1.035 -8.175 0.717 405 1HE LYS 52 2HE LYS 52 -2.688 -7.776 -1.041 406 2HE LYS 52 1HE LYS 52 -1.798 -8.853 -2.122 407 1HZ LYS 52 1HZ LYS 52 -3.453 -10.196 -1.262 408 2HZ LYS 52 2HZ LYS 52 -3.352 -9.531 0.290 409 3HZ LYS 52 3HZ LYS 52 -2.137 -10.569 -0.265 410 H LEU 53 H LEU 53 3.279 -3.875 0.569 411 HA LEU 53 HA LEU 53 5.924 -4.957 0.556 412 1HB LEU 53 1HB LEU 53 4.835 -2.661 2.185 413 2HB LEU 53 2HB LEU 53 6.530 -3.015 1.902 414 HG LEU 53 HG LEU 53 4.548 -2.195 -0.232 415 1HD1 LEU 53 1HD2 LEU 53 5.026 -0.067 0.195 416 2HD1 LEU 53 2HD2 LEU 53 6.759 -0.399 0.273 417 3HD1 LEU 53 3HD2 LEU 53 5.751 -0.619 1.706 418 1HD2 LEU 53 1HD1 LEU 53 6.039 -3.015 -1.667 419 2HD2 LEU 53 2HD1 LEU 53 7.195 -3.348 -0.375 420 3HD2 LEU 53 3HD1 LEU 53 7.143 -1.751 -1.122 421 H LYS 54 H LYS 54 7.200 -5.678 2.267 422 HA LYS 54 HA LYS 54 5.737 -6.575 4.675 423 1HB LYS 54 2HB LYS 54 7.880 -8.041 3.128 424 2HB LYS 54 1HB LYS 54 7.300 -8.538 4.707 425 1HG LYS 54 2HG LYS 54 5.047 -8.820 3.772 426 2HG LYS 54 1HG LYS 54 5.679 -8.395 2.181 427 1HD LYS 54 1HD LYS 54 5.580 -10.776 2.311 428 2HD LYS 54 2HD LYS 54 7.276 -10.310 2.389 429 1HE LYS 54 1HE LYS 54 7.232 -10.577 4.824 430 2HE LYS 54 2HE LYS 54 5.534 -11.046 4.741 431 1HZ LYS 54 1HZ LYS 54 6.297 -12.899 3.241 432 2HZ LYS 54 2HZ LYS 54 6.758 -13.031 4.863 433 3HZ LYS 54 3HZ LYS 54 7.880 -12.523 3.704 434 H GLY 55 H GLY 55 7.264 -7.131 6.515 435 1HA GLY 55 2HA GLY 55 9.195 -6.722 7.785 436 2HA GLY 55 1HA GLY 55 9.765 -5.632 6.532 437 H ARG 56 H ARG 56 9.819 -3.574 7.079 438 HA ARG 56 HA ARG 56 8.652 -2.607 9.494 439 1HB ARG 56 2HB ARG 56 9.975 -1.127 7.217 440 2HB ARG 56 1HB ARG 56 9.532 -0.405 8.758 441 1HG ARG 56 1HG ARG 56 11.041 -1.997 9.895 442 2HG ARG 56 2HG ARG 56 11.536 -2.609 8.316 443 1HD ARG 56 2HD ARG 56 11.826 0.240 9.250 444 2HD ARG 56 1HD ARG 56 13.117 -0.959 9.238 445 HE ARG 56 HE ARG 56 12.184 0.579 7.028 446 1HH1 ARG 56 1HH1 ARG 56 13.598 -2.534 7.837 447 2HH1 ARG 56 2HH1 ARG 56 14.246 -2.777 6.251 448 1HH2 ARG 56 1HH2 ARG 56 13.045 0.237 4.960 449 2HH2 ARG 56 2HH2 ARG 56 13.935 -1.210 4.625 450 H GLY 57 H GLY 57 7.766 -2.534 6.122 451 1HA GLY 57 1HA GLY 57 5.389 -0.909 6.768 452 2HA GLY 57 2HA GLY 57 6.115 -1.022 5.171 453 H ARG 58 H ARG 58 5.163 -3.447 7.584 454 HA ARG 58 HA ARG 58 4.183 -5.266 5.646 455 1HB ARG 58 1HB ARG 58 3.346 -6.554 7.594 456 2HB ARG 58 2HB ARG 58 5.031 -6.097 7.733 457 1HG ARG 58 1HG ARG 58 4.416 -4.261 9.221 458 2HG ARG 58 2HG ARG 58 2.736 -4.770 9.107 459 1HD ARG 58 2HD ARG 58 4.980 -6.491 10.128 460 2HD ARG 58 1HD ARG 58 3.868 -5.585 11.153 461 HE ARG 58 HE ARG 58 2.371 -7.210 9.433 462 1HH1 ARG 58 1HH1 ARG 58 4.556 -7.555 12.155 463 2HH1 ARG 58 2HH1 ARG 58 3.837 -9.036 12.691 464 1HH2 ARG 58 1HH2 ARG 58 1.442 -9.153 10.152 465 2HH2 ARG 58 2HH2 ARG 58 2.076 -9.940 11.557 466 H LEU 59 H LEU 59 2.736 -2.552 7.153 467 HA LEU 59 HA LEU 59 0.050 -3.510 6.457 468 1HB LEU 59 1HB LEU 59 -0.807 -1.699 7.871 469 2HB LEU 59 2HB LEU 59 0.242 -2.787 8.754 470 HG LEU 59 HG LEU 59 1.979 -0.799 7.963 471 1HD1 LEU 59 1HD1 LEU 59 -0.663 0.461 8.689 472 2HD1 LEU 59 2HD1 LEU 59 0.181 0.605 7.147 473 3HD1 LEU 59 3HD1 LEU 59 0.883 1.306 8.605 474 1HD2 LEU 59 1HD2 LEU 59 2.373 -0.732 10.159 475 2HD2 LEU 59 2HD2 LEU 59 1.135 -1.980 10.289 476 3HD2 LEU 59 3HD2 LEU 59 0.709 -0.287 10.535 477 H PHE 60 H PHE 60 2.420 -2.043 4.915 478 HA PHE 60 HA PHE 60 0.743 0.006 3.644 479 1HB PHE 60 2HB PHE 60 3.733 -0.369 3.711 480 2HB PHE 60 1HB PHE 60 2.956 0.704 2.556 481 HD1 PHE 60 HD1 PHE 60 2.141 2.835 3.205 482 HD2 PHE 60 HD2 PHE 60 3.618 0.128 6.141 483 HE1 PHE 60 HE1 PHE 60 2.178 4.654 4.858 484 HE2 PHE 60 HE2 PHE 60 3.649 1.943 7.801 485 HZ PHE 60 HZ PHE 60 2.930 4.209 7.160 486 H TRP 61 H TRP 61 -0.231 -0.515 1.851 487 HA TRP 61 HA TRP 61 0.899 -2.626 0.141 488 1HB TRP 61 1HB TRP 61 -1.933 -1.740 0.667 489 2HB TRP 61 2HB TRP 61 -1.529 -2.649 -0.782 490 HD1 TRP 61 HD1 TRP 61 0.609 -4.078 1.826 491 HE1 TRP 61 HE1 TRP 61 -0.434 -6.190 2.842 492 HE3 TRP 61 HE3 TRP 61 -4.176 -3.568 0.065 493 HZ2 TRP 61 HZ2 TRP 61 -2.940 -7.468 2.914 494 HZ3 TRP 61 HZ3 TRP 61 -5.831 -5.286 0.664 495 HH2 TRP 61 HH2 TRP 61 -5.224 -7.194 2.057 496 H GLY 62 H GLY 62 -0.090 -2.273 -2.242 497 1HA GLY 62 1HA GLY 62 -0.134 0.505 -3.065 498 2HA GLY 62 2HA GLY 62 1.354 -0.372 -3.524 499 H GLY 63 H GLY 63 -0.540 0.788 -5.317 500 1HA GLY 63 2HA GLY 63 -0.755 -1.148 -7.269 501 2HA GLY 63 1HA GLY 63 -2.277 -1.200 -6.392 502 H SER 64 H SER 64 -3.520 -0.467 -8.092 503 HA SER 64 HA SER 64 -3.259 2.401 -8.657 504 1HB SER 64 1HB SER 64 -3.780 2.039 -11.032 505 2HB SER 64 2HB SER 64 -2.291 1.204 -10.584 506 HG SER 64 HG SER 64 -4.070 -0.575 -10.167 507 H VAL 65 H VAL 65 -5.111 3.466 -8.391 508 HA VAL 65 HA VAL 65 -7.510 1.947 -7.793 509 HB VAL 65 HB VAL 65 -7.015 3.680 -6.214 510 1HG1 VAL 65 1HG1 VAL 65 -5.917 5.505 -6.833 511 2HG1 VAL 65 2HG1 VAL 65 -7.415 6.117 -7.535 512 3HG1 VAL 65 3HG1 VAL 65 -6.282 5.206 -8.533 513 1HG2 VAL 65 1HG2 VAL 65 -9.412 3.304 -6.809 514 2HG2 VAL 65 2HG2 VAL 65 -9.318 4.703 -7.881 515 3HG2 VAL 65 3HG2 VAL 65 -9.077 4.903 -6.144 516 H GLN 66 H GLN 66 -9.153 1.642 -9.095 517 HA GLN 66 HA GLN 66 -9.163 2.828 -11.737 518 1HB GLN 66 1HB GLN 66 -9.713 0.452 -11.499 519 2HB GLN 66 2HB GLN 66 -11.041 0.845 -10.418 520 1HG GLN 66 2HG GLN 66 -12.236 1.932 -12.208 521 2HG GLN 66 1HG GLN 66 -10.879 1.676 -13.308 522 1HE2 GLN 66 1HE2 GLN 66 -13.834 0.568 -12.451 523 2HE2 GLN 66 2HE2 GLN 66 -13.716 -1.064 -13.010 524 H GLY 67 H GLY 67 -11.728 2.423 -9.291 525 1HA GLY 67 2HA GLY 67 -13.223 3.919 -8.395 526 2HA GLY 67 1HA GLY 67 -12.316 5.215 -9.155 527 H ASP 68 H ASP 68 -12.642 5.484 -11.498 528 HA ASP 68 HA ASP 68 -15.303 4.675 -12.413 529 1HB ASP 68 2HB ASP 68 -15.282 6.988 -11.359 530 2HB ASP 68 1HB ASP 68 -14.247 7.487 -12.689 531 H TYR 69 H TYR 69 -12.108 5.814 -13.099 532 HA TYR 69 HA TYR 69 -10.730 5.782 -14.897 533 1HB TYR 69 2HB TYR 69 -11.158 3.333 -14.635 534 2HB TYR 69 1HB TYR 69 -12.448 3.462 -15.822 535 HD1 TYR 69 HD1 TYR 69 -8.831 4.463 -15.564 536 HD2 TYR 69 HD2 TYR 69 -11.914 2.728 -17.934 537 HE1 TYR 69 HE1 TYR 69 -7.211 4.059 -17.369 538 HE2 TYR 69 HE2 TYR 69 -10.300 2.319 -19.741 539 HH TYR 69 HH TYR 69 -7.672 3.725 -20.217 540 H TYR 70 H TYR 70 -11.323 7.793 -15.701 541 HA TYR 70 HA TYR 70 -13.105 7.736 -18.042 542 1HB TYR 70 1HB TYR 70 -13.394 10.230 -17.602 543 2HB TYR 70 2HB TYR 70 -14.163 9.137 -16.461 544 HD1 TYR 70 HD1 TYR 70 -13.778 9.355 -14.176 545 HD2 TYR 70 HD2 TYR 70 -11.114 11.260 -16.898 546 HE1 TYR 70 HE1 TYR 70 -12.701 10.522 -12.300 547 HE2 TYR 70 HE2 TYR 70 -10.028 12.425 -15.025 548 HH TYR 70 HH TYR 70 -10.355 11.551 -11.874 549 H GLY 71 H GLY 71 -9.933 8.019 -17.086 550 1HA GLY 71 1HA GLY 71 -9.152 8.968 -19.727 551 2HA GLY 71 2HA GLY 71 -8.604 9.934 -18.366 552 H ASP 72 H ASP 72 -6.724 9.416 -17.468 553 HA ASP 72 HA ASP 72 -5.748 6.668 -17.581 554 1HB ASP 72 2HB ASP 72 -4.850 7.767 -19.604 555 2HB ASP 72 1HB ASP 72 -4.132 9.019 -18.596 556 H LEU 73 H LEU 73 -5.426 6.215 -15.507 557 HA LEU 73 HA LEU 73 -3.726 7.979 -13.925 558 1HB LEU 73 1HB LEU 73 -5.159 8.063 -12.031 559 2HB LEU 73 2HB LEU 73 -6.097 8.581 -13.413 560 HG LEU 73 HG LEU 73 -6.271 5.786 -12.278 561 1HD1 LEU 73 1HD1 LEU 73 -7.664 8.309 -11.496 562 2HD1 LEU 73 2HD1 LEU 73 -7.023 7.017 -10.479 563 3HD1 LEU 73 3HD1 LEU 73 -8.509 6.765 -11.392 564 1HD2 LEU 73 1HD2 LEU 73 -7.508 5.415 -14.087 565 2HD2 LEU 73 2HD2 LEU 73 -7.415 7.109 -14.567 566 3HD2 LEU 73 3HD2 LEU 73 -8.677 6.575 -13.456 567 H ALA 74 H ALA 74 -4.786 4.878 -14.820 568 HA ALA 74 HA ALA 74 -3.596 3.502 -12.561 569 1HB ALA 74 1HB ALA 74 -4.726 2.354 -15.109 570 2HB ALA 74 2HB ALA 74 -5.636 2.628 -13.622 571 3HB ALA 74 3HB ALA 74 -4.312 1.462 -13.643 572 H ALA 75 H ALA 75 -2.356 4.981 -15.234 573 HA ALA 75 HA ALA 75 -0.468 3.086 -16.186 574 1HB ALA 75 1HB ALA 75 0.113 4.691 -17.645 575 2HB ALA 75 2HB ALA 75 0.304 5.907 -16.383 576 3HB ALA 75 3HB ALA 75 -1.299 5.542 -17.020 577 H ARG 76 H ARG 76 -0.448 5.489 -13.632 578 HA ARG 76 HA ARG 76 2.313 4.805 -12.934 579 1HB ARG 76 1HB ARG 76 2.170 6.744 -11.380 580 2HB ARG 76 2HB ARG 76 1.908 7.181 -13.061 581 1HG ARG 76 2HG ARG 76 -0.504 7.253 -12.669 582 2HG ARG 76 1HG ARG 76 -0.242 6.814 -10.983 583 1HD ARG 76 2HD ARG 76 -0.565 9.170 -11.061 584 2HD ARG 76 1HD ARG 76 1.144 8.887 -10.747 585 HE ARG 76 HE ARG 76 -0.035 9.966 -13.192 586 1HH1 ARG 76 1HH1 ARG 76 2.869 9.012 -11.467 587 2HH1 ARG 76 2HH1 ARG 76 3.929 9.793 -12.590 588 1HH2 ARG 76 1HH2 ARG 76 1.372 10.983 -14.649 589 2HH2 ARG 76 2HH2 ARG 76 3.083 10.909 -14.390 590 H LEU 77 H LEU 77 2.869 4.029 -10.892 591 HA LEU 77 HA LEU 77 0.646 2.775 -9.442 592 1HB LEU 77 2HB LEU 77 3.509 1.997 -9.848 593 2HB LEU 77 1HB LEU 77 2.610 1.365 -8.482 594 HG LEU 77 HG LEU 77 1.614 1.078 -11.314 595 1HD1 LEU 77 1HD1 LEU 77 3.952 -0.074 -10.317 596 2HD1 LEU 77 2HD1 LEU 77 3.047 -0.556 -11.753 597 3HD1 LEU 77 3HD1 LEU 77 2.721 -1.333 -10.203 598 1HD2 LEU 77 1HD2 LEU 77 0.787 0.180 -8.640 599 2HD2 LEU 77 2HD2 LEU 77 0.748 -1.062 -9.895 600 3HD2 LEU 77 3HD2 LEU 77 -0.171 0.430 -10.104 601 H GLY 78 H GLY 78 0.168 3.338 -7.454 602 1HA GLY 78 1HA GLY 78 2.112 4.988 -5.955 603 2HA GLY 78 2HA GLY 78 0.378 5.271 -5.917 604 H TYR 79 H TYR 79 1.080 5.116 -3.526 605 HA TYR 79 HA TYR 79 0.647 2.341 -2.653 606 1HB TYR 79 2HB TYR 79 2.627 4.334 -1.531 607 2HB TYR 79 1HB TYR 79 2.164 2.868 -0.668 608 HD1 TYR 79 HD1 TYR 79 3.963 4.213 -3.580 609 HD2 TYR 79 HD2 TYR 79 2.951 0.690 -1.421 610 HE1 TYR 79 HE1 TYR 79 5.665 2.969 -4.830 611 HE2 TYR 79 HE2 TYR 79 4.653 -0.567 -2.673 612 HH TYR 79 HH TYR 79 5.834 0.081 -5.340 613 H PHE 80 H PHE 80 -0.568 2.038 -0.784 614 HA PHE 80 HA PHE 80 -1.796 4.351 0.505 615 1HB PHE 80 2HB PHE 80 -4.090 3.368 0.129 616 2HB PHE 80 1HB PHE 80 -3.316 3.995 -1.322 617 HD1 PHE 80 HD1 PHE 80 -4.280 0.907 0.475 618 HD2 PHE 80 HD2 PHE 80 -2.804 2.572 -3.155 619 HE1 PHE 80 HE1 PHE 80 -4.642 -1.247 -0.659 620 HE2 PHE 80 HE2 PHE 80 -3.167 0.423 -4.291 621 HZ PHE 80 HZ PHE 80 -4.086 -1.490 -3.044 622 HA PRO 81 HA PRO 81 -1.678 1.626 4.048 623 1HB PRO 81 2HB PRO 81 -3.962 2.896 5.309 624 2HB PRO 81 1HB PRO 81 -2.250 3.065 5.704 625 1HG PRO 81 2HG PRO 81 -3.729 5.084 4.648 626 2HG PRO 81 1HG PRO 81 -1.988 4.908 4.362 627 1HD PRO 81 2HD PRO 81 -4.285 4.113 2.597 628 2HD PRO 81 1HD PRO 81 -2.773 4.948 2.169 629 H SER 82 H SER 82 -2.370 -0.399 4.254 630 HA SER 82 HA SER 82 -4.675 -1.425 3.006 631 1HB SER 82 2HB SER 82 -4.119 -3.531 4.115 632 2HB SER 82 1HB SER 82 -2.661 -2.766 3.484 633 HG SER 82 HG SER 82 -2.707 -1.823 5.810 634 H SER 83 H SER 83 -4.275 0.081 6.048 635 HA SER 83 HA SER 83 -6.268 -1.161 7.574 636 1HB SER 83 1HB SER 83 -5.235 1.676 7.713 637 2HB SER 83 2HB SER 83 -6.192 0.881 8.963 638 HG SER 83 HG SER 83 -4.495 -0.672 9.127 639 H ILE 84 H ILE 84 -6.632 0.958 4.860 640 HA ILE 84 HA ILE 84 -9.389 1.550 5.707 641 HB ILE 84 HB ILE 84 -9.483 3.327 4.093 642 1HG1 ILE 84 1HG1 ILE 84 -6.566 2.957 3.462 643 2HG1 ILE 84 2HG1 ILE 84 -7.812 2.160 2.496 644 1HG2 ILE 84 1HG2 ILE 84 -7.939 4.865 5.120 645 2HG2 ILE 84 2HG2 ILE 84 -6.957 3.528 5.720 646 3HG2 ILE 84 3HG2 ILE 84 -8.591 3.770 6.342 647 1HD1 ILE 84 1HD1 ILE 84 -6.964 4.939 2.531 648 2HD1 ILE 84 2HD1 ILE 84 -8.716 4.731 2.633 649 3HD1 ILE 84 3HD1 ILE 84 -7.815 4.023 1.286 650 H VAL 85 H VAL 85 -7.754 -0.599 3.717 651 HA VAL 85 HA VAL 85 -10.035 -0.738 1.859 652 HB VAL 85 HB VAL 85 -8.668 -2.057 0.354 653 1HG1 VAL 85 1HG1 VAL 85 -8.362 0.616 0.860 654 2HG1 VAL 85 2HG1 VAL 85 -7.746 -0.242 -0.552 655 3HG1 VAL 85 3HG1 VAL 85 -6.698 0.033 0.840 656 1HG2 VAL 85 1HG2 VAL 85 -6.120 -2.114 0.964 657 2HG2 VAL 85 2HG2 VAL 85 -7.212 -3.370 1.555 658 3HG2 VAL 85 3HG2 VAL 85 -6.726 -2.048 2.619 659 H ARG 86 H ARG 86 -10.769 -2.872 1.178 660 HA ARG 86 HA ARG 86 -10.400 -4.988 3.165 661 1HB ARG 86 2HB ARG 86 -12.379 -3.604 3.802 662 2HB ARG 86 1HB ARG 86 -13.127 -4.057 2.275 663 1HG ARG 86 1HG ARG 86 -13.511 -6.212 2.936 664 2HG ARG 86 2HG ARG 86 -12.169 -6.215 4.083 665 1HD ARG 86 2HD ARG 86 -13.416 -4.716 5.544 666 2HD ARG 86 1HD ARG 86 -14.764 -4.717 4.408 667 HE ARG 86 HE ARG 86 -14.165 -6.707 6.359 668 1HH1 ARG 86 1HH1 ARG 86 -15.625 -6.268 3.196 669 2HH1 ARG 86 2HH1 ARG 86 -16.585 -7.704 3.316 670 1HH2 ARG 86 1HH2 ARG 86 -15.432 -8.581 6.493 671 2HH2 ARG 86 2HH2 ARG 86 -16.476 -9.011 5.179 672 H GLU 87 H GLU 87 -9.639 -6.604 1.977 673 HA GLU 87 HA GLU 87 -10.234 -6.964 -0.794 674 1HB GLU 87 1HB GLU 87 -8.665 -8.463 1.260 675 2HB GLU 87 2HB GLU 87 -9.075 -9.269 -0.249 676 1HG GLU 87 2HG GLU 87 -7.974 -7.465 -1.492 677 2HG GLU 87 1HG GLU 87 -7.538 -6.697 0.032 678 H ASP 88 H ASP 88 -11.726 -8.216 -1.757 679 HA ASP 88 HA ASP 88 -13.352 -9.975 -0.045 680 1HB ASP 88 1HB ASP 88 -14.342 -8.138 -2.233 681 2HB ASP 88 2HB ASP 88 -15.335 -9.316 -1.381 682 H GLN 89 H GLN 89 -12.031 -9.372 -3.271 683 HA GLN 89 HA GLN 89 -12.389 -12.237 -3.841 684 1HB GLN 89 2HB GLN 89 -14.291 -10.926 -4.818 685 2HB GLN 89 1HB GLN 89 -13.128 -10.080 -5.824 686 1HG GLN 89 1HG GLN 89 -12.976 -12.997 -6.008 687 2HG GLN 89 2HG GLN 89 -14.510 -12.309 -6.541 688 1HE2 GLN 89 1HE2 GLN 89 -11.701 -13.353 -7.660 689 2HE2 GLN 89 2HE2 GLN 89 -11.481 -12.322 -9.029 690 H THR 90 H THR 90 -10.573 -13.144 -4.524 691 HA THR 90 HA THR 90 -8.323 -11.490 -5.363 692 HB THR 90 HB THR 90 -8.483 -14.474 -4.880 693 HG1 THR 90 HG1 THR 90 -7.516 -13.969 -2.895 694 1HG2 THR 90 1HG2 THR 90 -6.555 -13.976 -6.253 695 2HG2 THR 90 2HG2 THR 90 -6.052 -14.401 -4.616 696 3HG2 THR 90 3HG2 THR 90 -6.059 -12.712 -5.127 697 H LEU 91 H LEU 91 -7.747 -11.204 -7.410 698 HA LEU 91 HA LEU 91 -9.189 -12.558 -9.536 699 1HB LEU 91 1HB LEU 91 -7.000 -10.513 -9.854 700 2HB LEU 91 2HB LEU 91 -8.269 -10.915 -10.991 701 HG LEU 91 HG LEU 91 -8.818 -9.599 -8.334 702 1HD1 LEU 91 1HD2 LEU 91 -8.452 -8.278 -11.014 703 2HD1 LEU 91 2HD2 LEU 91 -7.315 -8.198 -9.668 704 3HD1 LEU 91 3HD2 LEU 91 -8.922 -7.486 -9.510 705 1HD2 LEU 91 1HD1 LEU 91 -10.830 -8.817 -9.809 706 2HD2 LEU 91 2HD1 LEU 91 -10.842 -10.405 -9.039 707 3HD2 LEU 91 3HD1 LEU 91 -10.431 -10.257 -10.748 708 H LYS 92 H LYS 92 -5.872 -12.184 -8.404 709 HA LYS 92 HA LYS 92 -5.109 -14.661 -9.747 710 1HB LYS 92 2HB LYS 92 -4.623 -12.619 -11.213 711 2HB LYS 92 1HB LYS 92 -3.420 -12.168 -10.018 712 1HG LYS 92 2HG LYS 92 -1.932 -13.597 -10.847 713 2HG LYS 92 1HG LYS 92 -3.103 -14.918 -10.876 714 1HD LYS 92 2HD LYS 92 -3.134 -12.735 -12.945 715 2HD LYS 92 1HD LYS 92 -2.103 -14.152 -13.122 716 1HE LYS 92 2HE LYS 92 -4.080 -15.599 -12.983 717 2HE LYS 92 1HE LYS 92 -5.106 -14.177 -12.804 718 1HZ LYS 92 1HZ LYS 92 -5.151 -14.903 -15.070 719 2HZ LYS 92 2HZ LYS 92 -3.463 -14.889 -15.172 720 3HZ LYS 92 3HZ LYS 92 -4.310 -13.435 -15.002 721 HA PRO 93 HA PRO 93 -3.295 -15.268 -5.679 722 1HB PRO 93 2HB PRO 93 -1.480 -17.140 -7.094 723 2HB PRO 93 1HB PRO 93 -2.507 -17.422 -5.698 724 1HG PRO 93 1HG PRO 93 -3.216 -18.405 -8.028 725 2HG PRO 93 2HG PRO 93 -4.438 -17.632 -6.995 726 1HD PRO 93 2HD PRO 93 -2.969 -16.505 -9.349 727 2HD PRO 93 1HD PRO 93 -4.703 -16.441 -8.991 728 H GLY 94 H GLY 94 -1.822 -14.149 -4.613 729 1HA GLY 94 1HA GLY 94 0.583 -13.212 -6.044 730 2HA GLY 94 2HA GLY 94 -0.157 -12.396 -4.673 731 H LYS 95 H LYS 95 1.935 -14.948 -5.710 732 HA LYS 95 HA LYS 95 2.866 -15.269 -2.960 733 1HB LYS 95 1HB LYS 95 3.172 -17.801 -3.701 734 2HB LYS 95 2HB LYS 95 1.695 -17.211 -2.953 735 1HG LYS 95 2HG LYS 95 0.681 -16.954 -5.174 736 2HG LYS 95 1HG LYS 95 2.160 -17.568 -5.907 737 1HD LYS 95 2HD LYS 95 0.478 -19.321 -5.779 738 2HD LYS 95 1HD LYS 95 1.847 -19.708 -4.736 739 1HE LYS 95 2HE LYS 95 -0.244 -20.241 -3.620 740 2HE LYS 95 1HE LYS 95 0.563 -18.912 -2.790 741 1HZ LYS 95 1HZ LYS 95 -1.782 -18.469 -3.004 742 2HZ LYS 95 2HZ LYS 95 -1.715 -18.673 -4.681 743 3HZ LYS 95 3HZ LYS 95 -0.919 -17.370 -3.957 744 H VAL 96 H VAL 96 4.048 -13.741 -5.049 745 HA VAL 96 HA VAL 96 6.603 -15.186 -5.339 746 HB VAL 96 HB VAL 96 5.391 -13.339 -7.418 747 1HG1 VAL 96 1HG1 VAL 96 7.398 -14.204 -8.775 748 2HG1 VAL 96 2HG1 VAL 96 8.089 -14.638 -7.211 749 3HG1 VAL 96 3HG1 VAL 96 7.694 -12.956 -7.563 750 1HG2 VAL 96 1HG2 VAL 96 4.479 -15.708 -7.226 751 2HG2 VAL 96 2HG2 VAL 96 6.069 -16.247 -7.763 752 3HG2 VAL 96 3HG2 VAL 96 5.090 -15.216 -8.805 753 H ASP 97 H ASP 97 8.043 -14.217 -4.080 754 HA ASP 97 HA ASP 97 7.742 -11.473 -3.234 755 1HB ASP 97 2HB ASP 97 8.501 -13.205 -1.663 756 2HB ASP 97 1HB ASP 97 9.929 -13.484 -2.651 757 H VAL 98 H VAL 98 8.553 -9.763 -4.201 758 HA VAL 98 HA VAL 98 10.945 -10.044 -5.915 759 HB VAL 98 HB VAL 98 8.647 -8.139 -6.458 760 1HG1 VAL 98 1HG1 VAL 98 10.709 -7.313 -7.352 761 2HG1 VAL 98 2HG1 VAL 98 9.744 -7.940 -8.688 762 3HG1 VAL 98 3HG1 VAL 98 11.093 -8.884 -8.056 763 1HG2 VAL 98 1HG2 VAL 98 8.991 -10.951 -7.204 764 2HG2 VAL 98 2HG2 VAL 98 8.636 -9.876 -8.556 765 3HG2 VAL 98 3HG2 VAL 98 7.540 -9.951 -7.177 766 H LYS 99 H LYS 99 12.516 -8.479 -5.645 767 HA LYS 99 HA LYS 99 12.302 -6.789 -3.309 768 1HB LYS 99 1HB LYS 99 14.533 -7.092 -5.336 769 2HB LYS 99 2HB LYS 99 14.637 -6.107 -3.891 770 1HG LYS 99 2HG LYS 99 15.719 -8.020 -3.239 771 2HG LYS 99 1HG LYS 99 14.086 -8.320 -2.652 772 1HD LYS 99 2HD LYS 99 13.622 -9.684 -4.631 773 2HD LYS 99 1HD LYS 99 15.249 -9.364 -5.237 774 1HE LYS 99 2HE LYS 99 14.582 -10.783 -2.658 775 2HE LYS 99 1HE LYS 99 15.070 -11.567 -4.159 776 1HZ LYS 99 1HZ LYS 99 16.679 -9.925 -2.320 777 2HZ LYS 99 2HZ LYS 99 17.124 -10.041 -3.948 778 3HZ LYS 99 3HZ LYS 99 17.036 -11.436 -2.995 779 H THR 100 H THR 100 12.617 -4.460 -3.330 780 HA THR 100 HA THR 100 11.467 -3.236 -5.741 781 HB THR 100 HB THR 100 10.905 -1.317 -4.351 782 HG1 THR 100 HG1 THR 100 12.507 -1.155 -2.890 783 1HG2 THR 100 1HG2 THR 100 9.632 -3.659 -4.147 784 2HG2 THR 100 2HG2 THR 100 9.151 -2.208 -3.266 785 3HG2 THR 100 3HG2 THR 100 10.124 -3.444 -2.468 786 H ASP 101 H ASP 101 12.501 -1.770 -6.950 787 HA ASP 101 HA ASP 101 15.337 -1.374 -6.490 788 1HB ASP 101 2HB ASP 101 13.546 -0.587 -8.794 789 2HB ASP 101 1HB ASP 101 15.282 -0.306 -8.749 790 H LYS 102 H LYS 102 15.952 1.045 -7.466 791 HA LYS 102 HA LYS 102 14.966 2.819 -5.402 792 1HB LYS 102 2HB LYS 102 16.723 4.357 -6.157 793 2HB LYS 102 1HB LYS 102 17.363 2.753 -5.839 794 1HG LYS 102 1HG LYS 102 17.441 2.275 -8.210 795 2HG LYS 102 2HG LYS 102 16.697 3.830 -8.573 796 1HD LYS 102 2HD LYS 102 19.294 3.643 -7.074 797 2HD LYS 102 1HD LYS 102 19.243 3.617 -8.835 798 1HE LYS 102 2HE LYS 102 19.638 5.866 -8.237 799 2HE LYS 102 1HE LYS 102 17.939 5.787 -8.697 800 1HZ LYS 102 1HZ LYS 102 17.253 6.158 -6.577 801 2HZ LYS 102 2HZ LYS 102 18.725 6.990 -6.513 802 3HZ LYS 102 3HZ LYS 102 18.608 5.430 -5.870 803 H TRP 103 H TRP 103 13.835 2.048 -8.390 804 HA TRP 103 HA TRP 103 12.957 4.778 -9.030 805 1HB TRP 103 2HB TRP 103 12.774 2.274 -10.724 806 2HB TRP 103 1HB TRP 103 12.331 3.897 -11.233 807 HD1 TRP 103 HD1 TRP 103 15.365 1.666 -10.649 808 HE1 TRP 103 HE1 TRP 103 17.445 2.802 -11.655 809 HE3 TRP 103 HE3 TRP 103 13.339 6.223 -11.783 810 HZ2 TRP 103 HZ2 TRP 103 18.137 5.296 -12.773 811 HZ3 TRP 103 HZ3 TRP 103 14.779 7.930 -12.818 812 HH2 TRP 103 HH2 TRP 103 17.129 7.474 -13.302 813 H ASP 104 H ASP 104 11.894 2.919 -6.898 814 HA ASP 104 HA ASP 104 9.101 2.726 -7.799 815 1HB ASP 104 2HB ASP 104 10.659 1.217 -5.711 816 2HB ASP 104 1HB ASP 104 8.900 1.198 -5.731 817 H PHE 105 H PHE 105 11.193 4.473 -5.762 818 HA PHE 105 HA PHE 105 8.967 5.983 -4.694 819 1HB PHE 105 2HB PHE 105 10.239 5.822 -2.343 820 2HB PHE 105 1HB PHE 105 8.949 4.720 -2.796 821 HD1 PHE 105 HD1 PHE 105 12.683 4.912 -3.256 822 HD2 PHE 105 HD2 PHE 105 9.278 2.546 -2.281 823 HE1 PHE 105 HE1 PHE 105 14.143 2.970 -2.869 824 HE2 PHE 105 HE2 PHE 105 10.729 0.605 -1.889 825 HZ PHE 105 HZ PHE 105 13.168 0.814 -2.185 826 H TYR 106 H TYR 106 10.669 6.867 -6.562 827 HA TYR 106 HA TYR 106 11.970 9.087 -5.218 828 1HB TYR 106 2HB TYR 106 13.759 7.401 -5.342 829 2HB TYR 106 1HB TYR 106 13.505 7.242 -7.072 830 HD1 TYR 106 HD1 TYR 106 15.294 8.060 -8.232 831 HD2 TYR 106 HD2 TYR 106 14.003 10.218 -4.783 832 HE1 TYR 106 HE1 TYR 106 17.012 9.765 -8.652 833 HE2 TYR 106 HE2 TYR 106 15.705 11.919 -5.213 834 HH TYR 106 HH TYR 106 17.144 12.737 -6.813 835 H CYS 107 H CYS 107 10.910 10.712 -6.173 836 HA CYS 107 HA CYS 107 10.425 10.611 -9.072 837 1HB CYS 107 2HB CYS 107 9.127 12.266 -6.902 838 2HB CYS 107 1HB CYS 107 8.800 12.472 -8.618 839 H GLN 108 HN GLN 108 11.128 12.171 -10.440 840 HA GLN 108 HA GLN 108 12.563 14.492 -9.386 841 1HB GLN 108 2HB GLN 108 13.730 12.386 -11.190 842 2HB GLN 108 1HB GLN 108 14.334 14.036 -11.215 843 1HG GLN 108 2HG GLN 108 14.221 12.327 -8.739 844 2HG GLN 108 1HG GLN 108 15.633 12.463 -9.786 845 1HE2 GLN 108 1HE2 GLN 108 14.220 13.602 -7.046 846 2HE2 GLN 108 2HE2 GLN 108 15.043 15.114 -6.901 Start of MODEL 17 1 1H MET 1 1HT MET 1 6.961 14.058 -4.657 2 2H MET 1 2HT MET 1 5.836 14.014 -5.919 3 3H MET 1 3HT MET 1 6.496 15.492 -5.427 4 HA MET 1 HA MET 1 7.796 13.291 -6.906 5 1HB MET 1 2HB MET 1 7.531 16.275 -7.359 6 2HB MET 1 1HB MET 1 8.394 15.171 -8.419 7 1HG MET 1 1HG MET 1 6.316 13.981 -8.882 8 2HG MET 1 2HG MET 1 5.447 15.077 -7.808 9 1HE MET 1 1HE MET 1 3.911 15.055 -9.724 10 2HE MET 1 2HE MET 1 4.646 14.849 -11.314 11 3HE MET 1 3HE MET 1 3.894 16.385 -10.883 12 H GLY 2 H GLY 2 9.860 12.842 -6.541 13 1HA GLY 2 2HA GLY 2 12.105 14.051 -6.275 14 2HA GLY 2 1HA GLY 2 11.401 14.624 -4.771 15 HA PRO 3 HA PRO 3 13.380 10.414 -4.109 16 1HB PRO 3 2HB PRO 3 15.727 11.348 -2.878 17 2HB PRO 3 1HB PRO 3 15.577 10.689 -4.504 18 1HG PRO 3 1HG PRO 3 16.196 13.348 -3.794 19 2HG PRO 3 2HG PRO 3 15.898 12.708 -5.415 20 1HD PRO 3 1HD PRO 3 14.123 14.254 -3.651 21 2HD PRO 3 2HD PRO 3 14.090 14.063 -5.411 22 H MET 4 H MET 4 12.165 9.729 -2.485 23 HA MET 4 HA MET 4 12.475 10.990 0.158 24 1HB MET 4 2HB MET 4 10.150 10.047 0.607 25 2HB MET 4 1HB MET 4 10.244 11.389 -0.520 26 1HG MET 4 1HG MET 4 8.764 9.992 -1.573 27 2HG MET 4 2HG MET 4 10.285 9.540 -2.336 28 1HE MET 4 1HE MET 4 8.811 8.237 1.322 29 2HE MET 4 2HE MET 4 7.733 7.080 0.541 30 3HE MET 4 3HE MET 4 7.596 8.800 0.175 31 HA PRO 5 HA PRO 5 14.090 7.256 1.938 32 1HB PRO 5 1HB PRO 5 12.472 6.920 4.169 33 2HB PRO 5 2HB PRO 5 13.905 7.946 4.091 34 1HG PRO 5 2HG PRO 5 11.028 8.685 3.801 35 2HG PRO 5 1HG PRO 5 12.329 9.540 4.652 36 1HD PRO 5 1HD PRO 5 11.498 10.360 2.268 37 2HD PRO 5 2HD PRO 5 13.223 10.394 2.680 38 H LYS 6 H LYS 6 13.806 5.073 1.909 39 HA LYS 6 HA LYS 6 11.738 3.983 0.377 40 1HB LYS 6 1HB LYS 6 13.635 2.560 2.248 41 2HB LYS 6 2HB LYS 6 12.679 1.797 0.987 42 1HG LYS 6 2HG LYS 6 13.888 3.071 -0.710 43 2HG LYS 6 1HG LYS 6 14.844 3.846 0.551 44 1HD LYS 6 1HD LYS 6 14.770 0.863 0.140 45 2HD LYS 6 2HD LYS 6 15.954 1.914 -0.635 46 1HE LYS 6 2HE LYS 6 16.731 2.659 1.566 47 2HE LYS 6 1HE LYS 6 15.549 1.604 2.340 48 1HZ LYS 6 1HZ LYS 6 16.653 -0.299 1.313 49 2HZ LYS 6 2HZ LYS 6 17.715 0.569 2.303 50 3HZ LYS 6 3HZ LYS 6 17.807 0.727 0.622 51 H LEU 7 H LEU 7 9.878 2.989 0.810 52 HA LEU 7 HA LEU 7 8.695 3.293 3.426 53 1HB LEU 7 1HB LEU 7 7.727 3.312 0.851 54 2HB LEU 7 2HB LEU 7 7.268 1.711 1.383 55 HG LEU 7 HG LEU 7 5.433 3.278 1.665 56 1HD1 LEU 7 1HD1 LEU 7 5.552 1.465 3.259 57 2HD1 LEU 7 2HD1 LEU 7 4.916 2.919 4.028 58 3HD1 LEU 7 3HD1 LEU 7 6.587 2.430 4.314 59 1HD2 LEU 7 1HD2 LEU 7 7.318 5.142 2.281 60 2HD2 LEU 7 2HD2 LEU 7 6.602 4.809 3.858 61 3HD2 LEU 7 3HD2 LEU 7 5.580 5.330 2.517 62 H ALA 8 H ALA 8 9.833 0.727 1.318 63 HA ALA 8 HA ALA 8 10.172 -1.089 3.536 64 1HB ALA 8 1HB ALA 8 8.295 -2.255 3.267 65 2HB ALA 8 2HB ALA 8 8.856 -2.710 1.657 66 3HB ALA 8 3HB ALA 8 7.843 -1.282 1.865 67 H ASP 9 H ASP 9 10.918 -3.345 2.482 68 HA ASP 9 HA ASP 9 13.029 -2.620 0.576 69 1HB ASP 9 2HB ASP 9 12.806 -4.999 2.434 70 2HB ASP 9 1HB ASP 9 14.158 -4.684 1.351 71 H ARG 10 H ARG 10 10.998 -5.486 1.268 72 HA ARG 10 HA ARG 10 10.836 -5.953 -1.638 73 1HB ARG 10 2HB ARG 10 11.027 -7.929 0.621 74 2HB ARG 10 1HB ARG 10 10.415 -8.393 -0.953 75 1HG ARG 10 1HG ARG 10 12.629 -9.026 -1.053 76 2HG ARG 10 2HG ARG 10 12.650 -7.449 -1.839 77 1HD ARG 10 2HD ARG 10 13.422 -6.416 0.228 78 2HD ARG 10 1HD ARG 10 13.374 -7.981 1.040 79 HE ARG 10 HE ARG 10 15.008 -8.205 -1.221 80 1HH1 ARG 10 1HH1 ARG 10 15.029 -6.603 1.899 81 2HH1 ARG 10 2HH1 ARG 10 16.756 -6.599 2.014 82 1HH2 ARG 10 1HH2 ARG 10 17.271 -8.190 -1.052 83 2HH2 ARG 10 2HH2 ARG 10 18.025 -7.496 0.344 84 H LYS 11 H LYS 11 8.904 -6.745 -2.485 85 HA LYS 11 HA LYS 11 6.527 -6.452 -0.776 86 1HB LYS 11 2HB LYS 11 5.360 -5.512 -2.750 87 2HB LYS 11 1HB LYS 11 6.705 -4.511 -2.221 88 1HG LYS 11 1HG LYS 11 8.088 -5.635 -4.011 89 2HG LYS 11 2HG LYS 11 6.579 -6.321 -4.618 90 1HD LYS 11 2HD LYS 11 5.673 -4.066 -4.897 91 2HD LYS 11 1HD LYS 11 7.190 -3.390 -4.300 92 1HE LYS 11 2HE LYS 11 8.381 -4.409 -6.178 93 2HE LYS 11 1HE LYS 11 6.865 -5.085 -6.774 94 1HZ LYS 11 1HZ LYS 11 7.800 -2.835 -7.694 95 2HZ LYS 11 2HZ LYS 11 7.018 -2.193 -6.338 96 3HZ LYS 11 3HZ LYS 11 6.136 -3.064 -7.489 97 H LEU 12 H LEU 12 4.548 -7.456 -1.937 98 HA LEU 12 HA LEU 12 5.344 -10.046 -3.096 99 1HB LEU 12 2HB LEU 12 2.985 -9.407 -1.319 100 2HB LEU 12 1HB LEU 12 3.235 -10.947 -2.113 101 HG LEU 12 HG LEU 12 5.127 -9.773 -0.071 102 1HD1 LEU 12 1HD1 LEU 12 2.711 -11.489 0.185 103 2HD1 LEU 12 2HD1 LEU 12 3.323 -10.231 1.257 104 3HD1 LEU 12 3HD1 LEU 12 4.094 -11.817 1.230 105 1HD2 LEU 12 1HD2 LEU 12 5.759 -12.287 0.015 106 2HD2 LEU 12 2HD2 LEU 12 6.391 -11.286 -1.293 107 3HD2 LEU 12 3HD2 LEU 12 5.018 -12.354 -1.584 108 H CYS 13 H CYS 13 4.880 -10.123 -5.170 109 HA CYS 13 HA CYS 13 2.426 -8.825 -6.156 110 1HB CYS 13 2HB CYS 13 5.001 -9.343 -7.663 111 2HB CYS 13 1HB CYS 13 3.567 -8.554 -8.311 112 H ALA 14 H ALA 14 1.847 -9.876 -8.424 113 HA ALA 14 HA ALA 14 1.289 -12.654 -7.868 114 1HB ALA 14 1HB ALA 14 0.002 -12.528 -10.018 115 2HB ALA 14 2HB ALA 14 0.486 -10.835 -10.128 116 3HB ALA 14 3HB ALA 14 -0.505 -11.384 -8.775 117 H ASP 15 H ASP 15 3.455 -10.832 -9.900 118 HA ASP 15 HA ASP 15 4.871 -13.254 -10.589 119 1HB ASP 15 1HB ASP 15 4.947 -12.587 -13.052 120 2HB ASP 15 2HB ASP 15 3.448 -13.299 -12.468 121 H GLN 16 H GLN 16 6.802 -12.573 -12.141 122 HA GLN 16 HA GLN 16 8.476 -10.901 -10.625 123 1HB GLN 16 2HB GLN 16 9.166 -12.816 -12.097 124 2HB GLN 16 1HB GLN 16 8.902 -11.772 -13.485 125 1HG GLN 16 2HG GLN 16 10.623 -10.243 -12.663 126 2HG GLN 16 1HG GLN 16 10.887 -11.293 -11.272 127 1HE2 GLN 16 1HE2 GLN 16 12.589 -12.547 -11.457 128 2HE2 GLN 16 2HE2 GLN 16 13.230 -13.195 -12.924 129 H GLU 17 H GLU 17 6.269 -10.126 -13.166 130 HA GLU 17 HA GLU 17 7.572 -7.605 -13.810 131 1HB GLU 17 2HB GLU 17 4.987 -8.835 -14.790 132 2HB GLU 17 1HB GLU 17 5.574 -7.266 -15.309 133 1HG GLU 17 2HG GLU 17 6.273 -8.631 -17.019 134 2HG GLU 17 1HG GLU 17 7.708 -8.562 -16.001 135 H CYS 18 H CYS 18 5.147 -8.819 -11.699 136 HA CYS 18 HA CYS 18 3.680 -7.899 -10.234 137 1HB CYS 18 1HB CYS 18 5.912 -6.886 -9.483 138 2HB CYS 18 2HB CYS 18 5.394 -5.411 -10.291 139 H SER 19 H SER 19 3.209 -7.599 -13.027 140 HA SER 19 HA SER 19 1.880 -5.024 -13.320 141 1HB SER 19 2HB SER 19 3.354 -5.780 -15.123 142 2HB SER 19 1HB SER 19 2.378 -7.223 -15.305 143 HG SER 19 HG SER 19 1.865 -5.531 -16.816 144 H HIS 20 H HIS 20 1.155 -8.048 -12.205 145 HA HIS 20 HA HIS 20 -1.620 -8.024 -13.152 146 1HB HIS 20 2HB HIS 20 0.225 -10.115 -12.130 147 2HB HIS 20 1HB HIS 20 -1.481 -10.310 -11.763 148 HD1 HIS 20 HD1 HIS 20 -0.883 -12.508 -13.273 149 HD2 HIS 20 HD2 HIS 20 -1.241 -8.884 -15.264 150 HE1 HIS 20 HE1 HIS 20 -1.367 -13.107 -15.648 151 HE2 HIS 20 HE2 HIS 20 -1.432 -10.900 -16.878 152 HA PRO 21 HA PRO 21 -2.911 -6.888 -9.020 153 1HB PRO 21 1HB PRO 21 -5.595 -7.135 -9.376 154 2HB PRO 21 2HB PRO 21 -4.645 -5.824 -10.076 155 1HG PRO 21 1HG PRO 21 -5.957 -8.048 -11.413 156 2HG PRO 21 2HG PRO 21 -5.239 -6.590 -12.116 157 1HD PRO 21 1HD PRO 21 -4.118 -9.280 -11.886 158 2HD PRO 21 2HD PRO 21 -3.554 -7.903 -12.859 159 H ILE 22 H ILE 22 -2.930 -8.009 -7.153 160 HA ILE 22 HA ILE 22 -3.368 -10.824 -7.121 161 HB ILE 22 HB ILE 22 -3.131 -8.986 -4.729 162 1HG1 ILE 22 1HG1 ILE 22 -0.930 -10.624 -6.000 163 2HG1 ILE 22 2HG1 ILE 22 -1.205 -8.929 -6.403 164 1HG2 ILE 22 1HG2 ILE 22 -2.679 -10.916 -3.433 165 2HG2 ILE 22 2HG2 ILE 22 -2.486 -11.928 -4.864 166 3HG2 ILE 22 3HG2 ILE 22 -4.087 -11.335 -4.415 167 1HD1 ILE 22 1HD1 ILE 22 -0.962 -8.477 -3.908 168 2HD1 ILE 22 2HD1 ILE 22 0.493 -8.898 -4.810 169 3HD1 ILE 22 3HD1 ILE 22 -0.301 -10.108 -3.803 170 H SER 23 H SER 23 -5.060 -8.219 -5.333 171 HA SER 23 HA SER 23 -7.555 -9.721 -5.689 172 1HB SER 23 2HB SER 23 -6.561 -8.662 -3.037 173 2HB SER 23 1HB SER 23 -8.132 -9.410 -3.319 174 HG SER 23 HG SER 23 -5.943 -10.628 -2.651 175 H MET 24 H MET 24 -9.423 -8.544 -5.650 176 HA MET 24 HA MET 24 -9.153 -5.690 -6.155 177 1HB MET 24 1HB MET 24 -10.538 -7.373 -7.557 178 2HB MET 24 2HB MET 24 -11.703 -7.298 -6.244 179 1HG MET 24 2HG MET 24 -11.643 -4.757 -6.603 180 2HG MET 24 1HG MET 24 -10.861 -5.143 -8.131 181 1HE MET 24 1HE MET 24 -13.649 -6.978 -6.119 182 2HE MET 24 2HE MET 24 -15.107 -6.586 -7.033 183 3HE MET 24 3HE MET 24 -14.288 -5.334 -6.101 184 H ALA 25 H ALA 25 -9.214 -4.401 -4.391 185 HA ALA 25 HA ALA 25 -10.978 -5.186 -2.165 186 1HB ALA 25 1HB ALA 25 -8.297 -3.967 -2.272 187 2HB ALA 25 2HB ALA 25 -9.008 -5.052 -1.078 188 3HB ALA 25 3HB ALA 25 -9.388 -3.330 -1.041 189 H VAL 26 H VAL 26 -12.350 -3.721 -1.223 190 HA VAL 26 HA VAL 26 -12.994 -1.360 -2.864 191 HB VAL 26 HB VAL 26 -14.662 -2.642 -0.678 192 1HG1 VAL 26 1HG2 VAL 26 -15.139 -0.408 -2.606 193 2HG1 VAL 26 2HG2 VAL 26 -15.521 -0.507 -0.888 194 3HG1 VAL 26 3HG2 VAL 26 -16.490 -1.400 -2.059 195 1HG2 VAL 26 1HG1 VAL 26 -15.992 -3.620 -2.491 196 2HG2 VAL 26 2HG1 VAL 26 -14.329 -4.209 -2.513 197 3HG2 VAL 26 3HG1 VAL 26 -14.846 -2.982 -3.671 198 H ALA 27 H ALA 27 -12.975 0.712 -2.046 199 HA ALA 27 HA ALA 27 -11.520 1.128 0.436 200 1HB ALA 27 1HB ALA 27 -10.889 3.092 -0.431 201 2HB ALA 27 2HB ALA 27 -12.521 3.494 -0.968 202 3HB ALA 27 3HB ALA 27 -11.507 2.434 -1.948 203 H LEU 28 H LEU 28 -12.320 1.840 2.310 204 HA LEU 28 HA LEU 28 -15.214 2.203 2.525 205 1HB LEU 28 2HB LEU 28 -13.075 1.488 4.511 206 2HB LEU 28 1HB LEU 28 -14.651 2.034 5.044 207 HG LEU 28 HG LEU 28 -14.586 -0.357 5.164 208 1HD1 LEU 28 1HD1 LEU 28 -16.595 0.956 4.018 209 2HD1 LEU 28 2HD1 LEU 28 -16.606 -0.793 4.246 210 3HD1 LEU 28 3HD1 LEU 28 -16.170 -0.111 2.680 211 1HD2 LEU 28 1HD2 LEU 28 -12.851 -0.275 3.067 212 2HD2 LEU 28 2HD2 LEU 28 -14.306 -0.936 2.321 213 3HD2 LEU 28 3HD2 LEU 28 -13.596 -1.733 3.724 214 H GLN 29 H GLN 29 -12.353 4.081 2.568 215 HA GLN 29 HA GLN 29 -13.898 6.417 3.333 216 1HB GLN 29 1HB GLN 29 -12.283 7.164 5.040 217 2HB GLN 29 2HB GLN 29 -13.093 5.672 5.496 218 1HG GLN 29 2HG GLN 29 -11.142 4.380 4.934 219 2HG GLN 29 1HG GLN 29 -10.330 5.816 4.307 220 1HE2 GLN 29 1HE2 GLN 29 -9.004 6.814 5.637 221 2HE2 GLN 29 2HE2 GLN 29 -9.012 6.702 7.359 222 H ASP 30 H ASP 30 -12.122 8.372 3.488 223 HA ASP 30 HA ASP 30 -10.871 8.368 0.844 224 1HB ASP 30 2HB ASP 30 -11.657 10.604 2.712 225 2HB ASP 30 1HB ASP 30 -10.721 10.868 1.246 226 H TYR 31 H TYR 31 -8.830 9.274 0.493 227 HA TYR 31 HA TYR 31 -6.990 9.692 2.687 228 1HB TYR 31 2HB TYR 31 -7.007 7.176 2.127 229 2HB TYR 31 1HB TYR 31 -6.312 7.629 0.579 230 HD1 TYR 31 HD1 TYR 31 -4.009 7.768 0.350 231 HD2 TYR 31 HD2 TYR 31 -5.695 8.008 4.252 232 HE1 TYR 31 HE1 TYR 31 -1.751 7.749 1.324 233 HE2 TYR 31 HE2 TYR 31 -3.443 7.995 5.233 234 HH TYR 31 HH TYR 31 -1.085 8.637 4.441 235 H MET 32 H MET 32 -5.111 10.858 1.998 236 HA MET 32 HA MET 32 -5.168 11.736 -0.808 237 1HB MET 32 2HB MET 32 -4.924 13.406 1.665 238 2HB MET 32 1HB MET 32 -4.236 13.961 0.145 239 1HG MET 32 1HG MET 32 -6.440 13.784 -0.901 240 2HG MET 32 2HG MET 32 -7.108 13.243 0.636 241 1HE MET 32 1HE MET 32 -7.604 15.942 2.800 242 2HE MET 32 2HE MET 32 -5.850 15.771 2.894 243 3HE MET 32 3HE MET 32 -6.865 14.344 2.677 244 H ALA 33 H ALA 33 -3.274 11.942 -1.859 245 HA ALA 33 HA ALA 33 -0.967 10.712 -0.578 246 1HB ALA 33 1HB ALA 33 -1.346 9.677 -2.592 247 2HB ALA 33 2HB ALA 33 -0.113 10.861 -3.029 248 3HB ALA 33 3HB ALA 33 -1.809 11.175 -3.398 249 HA PRO 34 HA PRO 34 0.858 14.852 -0.228 250 1HB PRO 34 2HB PRO 34 3.111 13.488 1.040 251 2HB PRO 34 1HB PRO 34 2.006 14.676 1.732 252 1HG PRO 34 2HG PRO 34 1.998 12.093 2.490 253 2HG PRO 34 1HG PRO 34 0.509 13.062 2.423 254 1HD PRO 34 2HD PRO 34 1.574 11.084 0.427 255 2HD PRO 34 1HD PRO 34 -0.073 11.266 1.061 256 H ASP 35 H ASP 35 3.248 12.224 -0.588 257 HA ASP 35 HA ASP 35 4.576 13.721 -2.706 258 1HB ASP 35 2HB ASP 35 6.350 11.944 -2.459 259 2HB ASP 35 1HB ASP 35 6.072 12.930 -1.028 260 H CYS 36 H CYS 36 5.524 12.339 -4.507 261 HA CYS 36 HA CYS 36 3.431 11.299 -6.089 262 1HB CYS 36 2HB CYS 36 5.383 12.456 -7.005 263 2HB CYS 36 1HB CYS 36 6.430 11.158 -6.450 264 H ARG 37 H ARG 37 5.286 9.741 -3.680 265 HA ARG 37 HA ARG 37 5.257 7.137 -4.893 266 1HB ARG 37 2HB ARG 37 7.121 7.814 -3.498 267 2HB ARG 37 1HB ARG 37 6.046 8.106 -2.143 268 1HG ARG 37 1HG ARG 37 7.100 6.084 -1.671 269 2HG ARG 37 2HG ARG 37 5.485 5.663 -2.228 270 1HD ARG 37 1HD ARG 37 7.847 5.679 -4.083 271 2HD ARG 37 2HD ARG 37 7.442 4.269 -3.106 272 HE ARG 37 HE ARG 37 5.215 5.211 -4.629 273 1HH1 ARG 37 1HH1 ARG 37 8.096 3.222 -4.789 274 2HH1 ARG 37 2HH1 ARG 37 7.524 2.302 -6.140 275 1HH2 ARG 37 1HH2 ARG 37 4.481 3.994 -6.395 276 2HH2 ARG 37 2HH2 ARG 37 5.479 2.739 -7.049 277 H PHE 38 H PHE 38 3.055 8.982 -2.953 278 HA PHE 38 HA PHE 38 1.656 6.544 -2.099 279 1HB PHE 38 2HB PHE 38 1.554 9.394 -1.196 280 2HB PHE 38 1HB PHE 38 0.160 8.360 -0.917 281 HD1 PHE 38 HD1 PHE 38 3.890 8.146 -0.496 282 HD2 PHE 38 HD2 PHE 38 0.035 7.384 1.138 283 HE1 PHE 38 HE1 PHE 38 4.933 7.256 1.542 284 HE2 PHE 38 HE2 PHE 38 1.074 6.493 3.179 285 HZ PHE 38 HZ PHE 38 3.526 6.428 3.384 286 H LEU 39 H LEU 39 -0.850 6.785 -2.118 287 HA LEU 39 HA LEU 39 -1.703 7.820 -4.751 288 1HB LEU 39 1HB LEU 39 -1.442 5.377 -4.794 289 2HB LEU 39 2HB LEU 39 -2.519 5.229 -3.423 290 HG LEU 39 HG LEU 39 -4.338 6.227 -4.880 291 1HD1 LEU 39 1HD2 LEU 39 -3.070 7.277 -6.604 292 2HD1 LEU 39 2HD2 LEU 39 -3.963 5.946 -7.341 293 3HD1 LEU 39 3HD2 LEU 39 -2.242 5.769 -6.994 294 1HD2 LEU 39 1HD1 LEU 39 -3.100 3.568 -5.089 295 2HD2 LEU 39 2HD1 LEU 39 -4.230 3.982 -6.379 296 3HD2 LEU 39 3HD1 LEU 39 -4.758 4.024 -4.697 297 H THR 40 H THR 40 -3.649 8.860 -4.865 298 HA THR 40 HA THR 40 -4.992 9.469 -2.337 299 HB THR 40 HB THR 40 -5.489 10.674 -5.074 300 HG1 THR 40 HG1 THR 40 -3.775 11.816 -4.769 301 1HG2 THR 40 1HG2 THR 40 -7.188 10.973 -3.128 302 2HG2 THR 40 2HG2 THR 40 -6.683 12.369 -4.079 303 3HG2 THR 40 3HG2 THR 40 -5.976 12.084 -2.487 304 H ILE 41 H ILE 41 -6.835 8.517 -1.770 305 HA ILE 41 HA ILE 41 -8.461 7.182 -3.837 306 HB ILE 41 HB ILE 41 -7.615 6.173 -1.114 307 1HG1 ILE 41 1HG1 ILE 41 -7.570 4.742 -3.766 308 2HG1 ILE 41 2HG1 ILE 41 -6.263 5.824 -3.277 309 1HG2 ILE 41 1HG2 ILE 41 -9.879 5.158 -2.826 310 2HG2 ILE 41 2HG2 ILE 41 -9.938 5.662 -1.137 311 3HG2 ILE 41 3HG2 ILE 41 -9.091 4.181 -1.587 312 1HD1 ILE 41 1HD1 ILE 41 -6.459 4.216 -1.100 313 2HD1 ILE 41 2HD1 ILE 41 -5.347 3.964 -2.446 314 3HD1 ILE 41 3HD1 ILE 41 -6.886 3.104 -2.401 315 H HIS 42 H HIS 42 -10.717 7.062 -3.468 316 HA HIS 42 HA HIS 42 -11.764 8.949 -1.461 317 1HB HIS 42 2HB HIS 42 -12.838 8.376 -4.236 318 2HB HIS 42 1HB HIS 42 -13.639 9.390 -3.040 319 HD1 HIS 42 HD1 HIS 42 -11.804 11.399 -2.151 320 HD2 HIS 42 HD2 HIS 42 -11.491 9.888 -6.009 321 HE1 HIS 42 HE1 HIS 42 -10.528 13.133 -3.450 322 HE2 HIS 42 HE2 HIS 42 -10.371 12.209 -5.789 323 H ARG 43 H ARG 43 -13.829 8.402 -0.537 324 HA ARG 43 HA ARG 43 -14.081 5.693 0.169 325 1HB ARG 43 2HB ARG 43 -14.847 7.544 1.588 326 2HB ARG 43 1HB ARG 43 -16.105 7.926 0.428 327 1HG ARG 43 2HG ARG 43 -17.143 5.752 0.857 328 2HG ARG 43 1HG ARG 43 -15.876 5.388 2.029 329 1HD ARG 43 2HD ARG 43 -16.559 7.376 3.328 330 2HD ARG 43 1HD ARG 43 -17.879 7.636 2.186 331 HE ARG 43 HE ARG 43 -18.038 5.023 3.172 332 1HH1 ARG 43 1HH1 ARG 43 -18.476 8.311 4.306 333 2HH1 ARG 43 2HH1 ARG 43 -19.627 7.863 5.518 334 1HH2 ARG 43 1HH2 ARG 43 -19.550 4.452 4.768 335 2HH2 ARG 43 2HH2 ARG 43 -20.234 5.679 5.780 336 H GLY 44 H GLY 44 -14.777 4.054 -1.024 337 1HA GLY 44 2HA GLY 44 -16.620 2.930 -2.065 338 2HA GLY 44 1HA GLY 44 -17.136 4.466 -2.734 339 H GLN 45 H GLN 45 -13.823 4.299 -3.166 340 HA GLN 45 HA GLN 45 -14.190 3.710 -5.972 341 1HB GLN 45 1HB GLN 45 -11.715 4.508 -4.420 342 2HB GLN 45 2HB GLN 45 -11.742 4.212 -6.154 343 1HG GLN 45 2HG GLN 45 -13.575 5.989 -6.250 344 2HG GLN 45 1HG GLN 45 -13.056 6.416 -4.620 345 1HE2 GLN 45 1HE2 GLN 45 -12.743 7.270 -7.715 346 2HE2 GLN 45 2HE2 GLN 45 -11.159 7.958 -7.699 347 H VAL 46 H VAL 46 -13.203 2.112 -7.158 348 HA VAL 46 HA VAL 46 -12.717 -0.376 -5.731 349 HB VAL 46 HB VAL 46 -12.582 0.065 -8.722 350 1HG1 VAL 46 1HG1 VAL 46 -12.765 -2.328 -6.948 351 2HG1 VAL 46 2HG1 VAL 46 -11.704 -2.024 -8.324 352 3HG1 VAL 46 3HG1 VAL 46 -13.407 -2.394 -8.590 353 1HG2 VAL 46 1HG2 VAL 46 -14.825 -0.070 -8.983 354 2HG2 VAL 46 2HG2 VAL 46 -14.808 0.680 -7.386 355 3HG2 VAL 46 3HG2 VAL 46 -15.048 -1.060 -7.539 356 H VAL 47 H VAL 47 -10.705 -0.488 -4.865 357 HA VAL 47 HA VAL 47 -8.452 0.475 -6.481 358 HB VAL 47 HB VAL 47 -8.351 -0.225 -3.549 359 1HG1 VAL 47 1HG1 VAL 47 -6.313 0.975 -3.504 360 2HG1 VAL 47 2HG1 VAL 47 -6.581 1.635 -5.118 361 3HG1 VAL 47 3HG1 VAL 47 -6.231 -0.082 -4.914 362 1HG2 VAL 47 1HG2 VAL 47 -9.344 2.224 -4.892 363 2HG2 VAL 47 2HG2 VAL 47 -8.309 2.441 -3.481 364 3HG2 VAL 47 3HG2 VAL 47 -9.803 1.513 -3.345 365 H TYR 48 H TYR 48 -7.315 -0.959 -7.550 366 HA TYR 48 HA TYR 48 -7.407 -3.778 -6.872 367 1HB TYR 48 2HB TYR 48 -6.270 -2.212 -9.176 368 2HB TYR 48 1HB TYR 48 -5.788 -3.876 -8.917 369 HD1 TYR 48 HD1 TYR 48 -6.661 -4.994 -10.729 370 HD2 TYR 48 HD2 TYR 48 -9.225 -2.375 -8.561 371 HE1 TYR 48 HE1 TYR 48 -8.576 -5.778 -12.052 372 HE2 TYR 48 HE2 TYR 48 -11.139 -3.157 -9.884 373 HH TYR 48 HH TYR 48 -10.782 -5.056 -12.704 374 H VAL 49 H VAL 49 -5.960 -4.714 -5.573 375 HA VAL 49 HA VAL 49 -3.571 -3.266 -4.764 376 HB VAL 49 HB VAL 49 -4.492 -5.987 -3.808 377 1HG1 VAL 49 1HG1 VAL 49 -2.439 -5.916 -2.892 378 2HG1 VAL 49 2HG1 VAL 49 -3.207 -4.842 -1.721 379 3HG1 VAL 49 3HG1 VAL 49 -2.301 -4.166 -3.077 380 1HG2 VAL 49 1HG2 VAL 49 -5.645 -4.940 -2.009 381 2HG2 VAL 49 2HG2 VAL 49 -6.207 -4.175 -3.494 382 3HG2 VAL 49 3HG2 VAL 49 -5.039 -3.348 -2.464 383 H PHE 50 H PHE 50 -1.764 -3.467 -5.911 384 HA PHE 50 HA PHE 50 -1.324 -5.845 -7.539 385 1HB PHE 50 2HB PHE 50 -0.043 -3.121 -7.488 386 2HB PHE 50 1HB PHE 50 0.675 -4.457 -8.377 387 HD1 PHE 50 HD1 PHE 50 -2.505 -2.524 -8.081 388 HD2 PHE 50 HD2 PHE 50 0.039 -4.882 -10.550 389 HE1 PHE 50 HE1 PHE 50 -3.929 -2.023 -10.023 390 HE2 PHE 50 HE2 PHE 50 -1.383 -4.384 -12.495 391 HZ PHE 50 HZ PHE 50 -3.368 -2.952 -12.233 392 H SER 51 H SER 51 0.213 -4.090 -4.857 393 HA SER 51 HA SER 51 1.829 -6.483 -4.346 394 1HB SER 51 2HB SER 51 3.832 -5.080 -3.917 395 2HB SER 51 1HB SER 51 3.313 -5.036 -5.598 396 HG SER 51 HG SER 51 3.835 -2.959 -4.532 397 H LYS 52 H LYS 52 2.499 -6.819 -2.248 398 HA LYS 52 HA LYS 52 1.365 -5.015 -0.199 399 1HB LYS 52 1HB LYS 52 1.706 -7.996 0.172 400 2HB LYS 52 2HB LYS 52 0.847 -6.878 1.208 401 1HG LYS 52 1HG LYS 52 -0.835 -6.550 -0.544 402 2HG LYS 52 2HG LYS 52 0.016 -7.716 -1.560 403 1HD LYS 52 1HD LYS 52 -0.326 -9.436 0.171 404 2HD LYS 52 2HD LYS 52 -1.232 -8.265 1.131 405 1HE LYS 52 2HE LYS 52 -2.871 -8.050 -0.669 406 2HE LYS 52 1HE LYS 52 -1.963 -9.218 -1.636 407 1HZ LYS 52 1HZ LYS 52 -3.766 -10.341 -0.588 408 2HZ LYS 52 2HZ LYS 52 -3.355 -9.729 0.935 409 3HZ LYS 52 3HZ LYS 52 -2.342 -10.847 0.173 410 H LEU 53 H LEU 53 2.977 -4.020 0.863 411 HA LEU 53 HA LEU 53 5.683 -4.882 0.657 412 1HB LEU 53 1HB LEU 53 4.515 -2.826 2.530 413 2HB LEU 53 2HB LEU 53 6.205 -2.990 2.086 414 HG LEU 53 HG LEU 53 3.989 -2.264 0.158 415 1HD1 LEU 53 1HD2 LEU 53 5.297 -0.678 2.117 416 2HD1 LEU 53 2HD2 LEU 53 4.124 -0.183 0.897 417 3HD1 LEU 53 3HD2 LEU 53 5.847 -0.162 0.523 418 1HD2 LEU 53 1HD1 LEU 53 6.780 -2.996 -0.194 419 2HD2 LEU 53 2HD1 LEU 53 6.399 -1.415 -0.878 420 3HD2 LEU 53 3HD1 LEU 53 5.490 -2.839 -1.389 421 H LYS 54 H LYS 54 7.142 -5.500 2.319 422 HA LYS 54 HA LYS 54 5.872 -6.744 4.682 423 1HB LYS 54 1HB LYS 54 8.060 -7.893 2.944 424 2HB LYS 54 2HB LYS 54 7.610 -8.545 4.511 425 1HG LYS 54 2HG LYS 54 5.369 -9.014 3.670 426 2HG LYS 54 1HG LYS 54 5.824 -8.351 2.098 427 1HD LYS 54 1HD LYS 54 6.069 -10.665 1.851 428 2HD LYS 54 2HD LYS 54 7.706 -10.078 2.110 429 1HE LYS 54 2HE LYS 54 7.564 -10.718 4.469 430 2HE LYS 54 1HE LYS 54 5.923 -11.308 4.211 431 1HZ LYS 54 1HZ LYS 54 7.410 -13.151 4.148 432 2HZ LYS 54 2HZ LYS 54 8.415 -12.392 3.019 433 3HZ LYS 54 3HZ LYS 54 6.861 -12.886 2.569 434 H GLY 55 H GLY 55 8.845 -5.371 3.318 435 1HA GLY 55 1HA GLY 55 10.453 -5.469 5.613 436 2HA GLY 55 2HA GLY 55 10.646 -4.330 4.289 437 H ARG 56 H ARG 56 9.730 -4.781 7.515 438 HA ARG 56 HA ARG 56 8.748 -3.554 9.136 439 1HB ARG 56 2HB ARG 56 9.786 -1.269 9.432 440 2HB ARG 56 1HB ARG 56 10.890 -2.624 9.334 441 1HG ARG 56 2HG ARG 56 11.990 -1.115 8.046 442 2HG ARG 56 1HG ARG 56 11.031 -1.924 6.808 443 1HD ARG 56 2HD ARG 56 9.369 -0.140 6.910 444 2HD ARG 56 1HD ARG 56 10.299 0.664 8.173 445 HE ARG 56 HE ARG 56 10.765 0.780 5.366 446 1HH1 ARG 56 1HH1 ARG 56 12.420 0.914 8.461 447 2HH1 ARG 56 2HH1 ARG 56 13.780 1.774 7.824 448 1HH2 ARG 56 1HH2 ARG 56 12.559 1.906 4.556 449 2HH2 ARG 56 2HH2 ARG 56 13.859 2.335 5.618 450 H GLY 57 H GLY 57 7.153 -3.610 6.725 451 1HA GLY 57 1HA GLY 57 5.256 -1.574 7.479 452 2HA GLY 57 2HA GLY 57 5.940 -1.341 5.875 453 H ARG 58 H ARG 58 4.864 -4.200 7.708 454 HA ARG 58 HA ARG 58 3.723 -5.415 5.394 455 1HB ARG 58 2HB ARG 58 2.802 -7.098 7.057 456 2HB ARG 58 1HB ARG 58 4.550 -6.940 6.985 457 1HG ARG 58 1HG ARG 58 3.250 -5.233 8.986 458 2HG ARG 58 2HG ARG 58 3.094 -6.969 9.266 459 1HD ARG 58 2HD ARG 58 5.710 -5.570 8.721 460 2HD ARG 58 1HD ARG 58 5.098 -5.922 10.338 461 HE ARG 58 HE ARG 58 6.391 -7.731 8.557 462 1HH1 ARG 58 1HH1 ARG 58 3.977 -7.608 11.106 463 2HH1 ARG 58 2HH1 ARG 58 4.168 -9.278 11.520 464 1HH2 ARG 58 1HH2 ARG 58 6.623 -9.912 9.121 465 2HH2 ARG 58 2HH2 ARG 58 5.664 -10.580 10.400 466 H LEU 59 H LEU 59 2.586 -3.068 7.526 467 HA LEU 59 HA LEU 59 -0.229 -3.723 7.150 468 1HB LEU 59 1HB LEU 59 1.092 -1.422 8.601 469 2HB LEU 59 2HB LEU 59 -0.633 -1.726 8.562 470 HG LEU 59 HG LEU 59 1.376 -3.650 9.742 471 1HD1 LEU 59 1HD1 LEU 59 -0.383 -2.268 11.596 472 2HD1 LEU 59 2HD1 LEU 59 0.721 -1.175 10.760 473 3HD1 LEU 59 3HD1 LEU 59 1.358 -2.541 11.675 474 1HD2 LEU 59 1HD2 LEU 59 -0.787 -4.614 9.002 475 2HD2 LEU 59 2HD2 LEU 59 -1.618 -3.487 10.075 476 3HD2 LEU 59 3HD2 LEU 59 -0.540 -4.712 10.746 477 H PHE 60 H PHE 60 2.074 -2.373 5.288 478 HA PHE 60 HA PHE 60 0.259 -0.387 4.098 479 1HB PHE 60 2HB PHE 60 3.269 -0.521 4.163 480 2HB PHE 60 1HB PHE 60 2.414 0.480 2.999 481 HD1 PHE 60 HD1 PHE 60 2.651 -0.120 6.685 482 HD2 PHE 60 HD2 PHE 60 1.889 2.651 3.544 483 HE1 PHE 60 HE1 PHE 60 2.521 1.704 8.330 484 HE2 PHE 60 HE2 PHE 60 1.758 4.478 5.185 485 HZ PHE 60 HZ PHE 60 2.074 4.006 7.580 486 H TRP 61 H TRP 61 -0.573 -0.802 2.204 487 HA TRP 61 HA TRP 61 0.625 -2.905 0.529 488 1HB TRP 61 2HB TRP 61 -2.242 -2.012 0.875 489 2HB TRP 61 1HB TRP 61 -1.731 -3.005 -0.482 490 HD1 TRP 61 HD1 TRP 61 0.319 -4.505 1.976 491 HE1 TRP 61 HE1 TRP 61 -0.809 -6.463 3.188 492 HE3 TRP 61 HE3 TRP 61 -4.559 -3.533 0.752 493 HZ2 TRP 61 HZ2 TRP 61 -3.409 -7.461 3.600 494 HZ3 TRP 61 HZ3 TRP 61 -6.302 -5.043 1.604 495 HH2 TRP 61 HH2 TRP 61 -5.739 -6.965 3.000 496 H GLY 62 H GLY 62 -0.475 -2.462 -1.889 497 1HA GLY 62 2HA GLY 62 -0.324 0.337 -2.618 498 2HA GLY 62 1HA GLY 62 1.083 -0.631 -3.141 499 H GLY 63 H GLY 63 -0.911 0.776 -4.736 500 1HA GLY 63 1HA GLY 63 -1.253 -1.044 -6.810 501 2HA GLY 63 2HA GLY 63 -2.751 -1.028 -5.893 502 H SER 64 H SER 64 -3.887 -0.194 -7.654 503 HA SER 64 HA SER 64 -3.573 2.704 -8.002 504 1HB SER 64 2HB SER 64 -2.485 1.571 -9.939 505 2HB SER 64 1HB SER 64 -4.023 0.793 -10.309 506 HG SER 64 HG SER 64 -3.181 3.236 -10.987 507 H VAL 65 H VAL 65 -5.562 3.634 -9.144 508 HA VAL 65 HA VAL 65 -7.941 2.319 -8.031 509 HB VAL 65 HB VAL 65 -8.999 4.650 -8.437 510 1HG1 VAL 65 1HG2 VAL 65 -8.884 4.879 -6.236 511 2HG1 VAL 65 2HG2 VAL 65 -7.126 5.028 -6.252 512 3HG1 VAL 65 3HG2 VAL 65 -7.876 3.432 -6.255 513 1HG2 VAL 65 1HG1 VAL 65 -6.186 5.628 -8.121 514 2HG2 VAL 65 2HG1 VAL 65 -7.635 6.528 -8.565 515 3HG2 VAL 65 3HG1 VAL 65 -6.905 5.409 -9.715 516 H GLN 66 H GLN 66 -9.338 1.397 -9.326 517 HA GLN 66 HA GLN 66 -9.317 2.008 -12.185 518 1HB GLN 66 2HB GLN 66 -9.270 -0.370 -11.558 519 2HB GLN 66 1HB GLN 66 -10.755 -0.171 -10.640 520 1HG GLN 66 2HG GLN 66 -12.023 0.222 -12.611 521 2HG GLN 66 1HG GLN 66 -10.565 0.330 -13.599 522 1HE2 GLN 66 1HE2 GLN 66 -13.066 -1.608 -12.671 523 2HE2 GLN 66 2HE2 GLN 66 -12.410 -3.147 -13.104 524 H GLY 67 H GLY 67 -11.155 2.436 -9.307 525 1HA GLY 67 1HA GLY 67 -13.704 2.979 -10.239 526 2HA GLY 67 2HA GLY 67 -13.004 3.621 -8.760 527 H ASP 68 H ASP 68 -13.959 4.186 -11.880 528 HA ASP 68 HA ASP 68 -14.406 6.074 -13.074 529 1HB ASP 68 2HB ASP 68 -13.051 7.563 -10.809 530 2HB ASP 68 1HB ASP 68 -13.799 8.340 -12.203 531 H TYR 69 H TYR 69 -13.013 4.994 -14.526 532 HA TYR 69 HA TYR 69 -10.270 5.966 -14.744 533 1HB TYR 69 2HB TYR 69 -10.833 3.517 -14.907 534 2HB TYR 69 1HB TYR 69 -11.718 3.864 -16.382 535 HD1 TYR 69 HD1 TYR 69 -10.641 3.429 -18.355 536 HD2 TYR 69 HD2 TYR 69 -8.300 4.459 -14.956 537 HE1 TYR 69 HE1 TYR 69 -8.596 3.062 -19.659 538 HE2 TYR 69 HE2 TYR 69 -6.249 4.101 -16.255 539 HH TYR 69 HH TYR 69 -6.200 2.509 -19.219 540 H TYR 70 H TYR 70 -12.467 5.120 -17.385 541 HA TYR 70 HA TYR 70 -12.912 6.112 -19.379 542 1HB TYR 70 1HB TYR 70 -14.424 7.184 -17.564 543 2HB TYR 70 2HB TYR 70 -13.436 8.619 -17.804 544 HD1 TYR 70 HD1 TYR 70 -14.407 10.216 -19.134 545 HD2 TYR 70 HD2 TYR 70 -15.147 6.121 -20.027 546 HE1 TYR 70 HE1 TYR 70 -15.834 10.889 -21.019 547 HE2 TYR 70 HE2 TYR 70 -16.570 6.785 -21.918 548 HH TYR 70 HH TYR 70 -16.593 9.168 -23.459 549 H GLY 71 H GLY 71 -10.193 6.096 -19.177 550 1HA GLY 71 2HA GLY 71 -9.289 7.821 -21.063 551 2HA GLY 71 1HA GLY 71 -9.110 8.737 -19.576 552 H ASP 72 H ASP 72 -7.411 8.391 -18.308 553 HA ASP 72 HA ASP 72 -5.846 5.994 -18.297 554 1HB ASP 72 1HB ASP 72 -5.121 7.146 -20.441 555 2HB ASP 72 2HB ASP 72 -4.509 8.454 -19.436 556 H LEU 73 H LEU 73 -5.422 5.857 -16.188 557 HA LEU 73 HA LEU 73 -3.983 7.927 -14.829 558 1HB LEU 73 2HB LEU 73 -5.663 8.122 -12.965 559 2HB LEU 73 1HB LEU 73 -6.080 8.920 -14.466 560 HG LEU 73 HG LEU 73 -7.342 6.580 -14.865 561 1HD1 LEU 73 1HD2 LEU 73 -6.482 6.064 -12.416 562 2HD1 LEU 73 2HD2 LEU 73 -8.061 5.518 -12.983 563 3HD1 LEU 73 3HD2 LEU 73 -7.936 6.966 -11.983 564 1HD2 LEU 73 1HD1 LEU 73 -8.345 8.773 -15.054 565 2HD2 LEU 73 2HD1 LEU 73 -8.373 8.939 -13.297 566 3HD2 LEU 73 3HD1 LEU 73 -9.377 7.721 -14.083 567 H ALA 74 H ALA 74 -4.413 4.814 -15.430 568 HA ALA 74 HA ALA 74 -3.946 3.784 -12.746 569 1HB ALA 74 1HB ALA 74 -4.342 2.461 -15.414 570 2HB ALA 74 2HB ALA 74 -5.367 2.383 -13.979 571 3HB ALA 74 3HB ALA 74 -3.801 1.564 -13.993 572 H ALA 75 H ALA 75 -2.091 5.239 -15.019 573 HA ALA 75 HA ALA 75 0.216 3.565 -15.085 574 1HB ALA 75 1HB ALA 75 1.134 6.091 -15.627 575 2HB ALA 75 2HB ALA 75 -0.560 6.185 -16.108 576 3HB ALA 75 3HB ALA 75 0.490 4.957 -16.815 577 H ARG 76 H ARG 76 -0.856 6.250 -13.078 578 HA ARG 76 HA ARG 76 1.628 6.414 -11.636 579 1HB ARG 76 1HB ARG 76 0.325 7.989 -10.134 580 2HB ARG 76 2HB ARG 76 0.481 8.472 -11.814 581 1HG ARG 76 2HG ARG 76 -1.801 7.685 -12.248 582 2HG ARG 76 1HG ARG 76 -1.954 7.225 -10.552 583 1HD ARG 76 2HD ARG 76 -3.005 9.373 -10.926 584 2HD ARG 76 1HD ARG 76 -1.582 9.569 -9.905 585 HE ARG 76 HE ARG 76 -0.823 9.983 -12.565 586 1HH1 ARG 76 1HH1 ARG 76 -2.793 11.537 -10.114 587 2HH1 ARG 76 2HH1 ARG 76 -2.548 13.124 -10.760 588 1HH2 ARG 76 1HH2 ARG 76 -0.513 12.073 -13.397 589 2HH2 ARG 76 2HH2 ARG 76 -1.259 13.428 -12.618 590 H LEU 77 H LEU 77 2.131 4.617 -10.599 591 HA LEU 77 HA LEU 77 0.180 3.198 -8.968 592 1HB LEU 77 1HB LEU 77 1.907 2.130 -10.539 593 2HB LEU 77 2HB LEU 77 3.102 2.550 -9.331 594 HG LEU 77 HG LEU 77 1.860 1.130 -7.687 595 1HD1 LEU 77 1HD2 LEU 77 -0.093 0.154 -8.150 596 2HD1 LEU 77 2HD2 LEU 77 0.465 -0.398 -9.729 597 3HD1 LEU 77 3HD2 LEU 77 -0.185 1.231 -9.545 598 1HD2 LEU 77 1HD1 LEU 77 3.776 0.422 -9.311 599 2HD2 LEU 77 2HD1 LEU 77 2.510 -0.549 -10.065 600 3HD2 LEU 77 3HD1 LEU 77 2.920 -0.798 -8.367 601 H GLY 78 H GLY 78 0.080 3.327 -6.759 602 1HA GLY 78 1HA GLY 78 2.357 4.548 -5.342 603 2HA GLY 78 2HA GLY 78 0.776 5.292 -5.180 604 H TYR 79 H TYR 79 1.655 4.760 -2.874 605 HA TYR 79 HA TYR 79 0.693 2.089 -2.091 606 1HB TYR 79 2HB TYR 79 2.646 3.925 -0.686 607 2HB TYR 79 1HB TYR 79 2.041 2.419 -0.004 608 HD1 TYR 79 HD1 TYR 79 4.860 3.705 -1.266 609 HD2 TYR 79 HD2 TYR 79 2.226 0.475 -2.108 610 HE1 TYR 79 HE1 TYR 79 6.696 2.495 -2.364 611 HE2 TYR 79 HE2 TYR 79 4.051 -0.740 -3.211 612 HH TYR 79 HH TYR 79 6.690 -0.689 -2.988 613 H PHE 80 H PHE 80 -0.485 1.894 -0.103 614 HA PHE 80 HA PHE 80 -1.663 4.251 1.090 615 1HB PHE 80 2HB PHE 80 -4.007 3.504 0.608 616 2HB PHE 80 1HB PHE 80 -3.128 4.019 -0.826 617 HD1 PHE 80 HD1 PHE 80 -4.436 1.072 0.996 618 HD2 PHE 80 HD2 PHE 80 -2.735 2.530 -2.625 619 HE1 PHE 80 HE1 PHE 80 -4.993 -1.048 -0.117 620 HE2 PHE 80 HE2 PHE 80 -3.291 0.411 -3.738 621 HZ PHE 80 HZ PHE 80 -4.421 -1.381 -2.486 622 HA PRO 81 HA PRO 81 -1.819 1.500 4.608 623 1HB PRO 81 2HB PRO 81 -4.258 2.726 5.647 624 2HB PRO 81 1HB PRO 81 -2.612 2.822 6.275 625 1HG PRO 81 2HG PRO 81 -3.872 4.943 5.158 626 2HG PRO 81 1HG PRO 81 -2.116 4.706 5.056 627 1HD PRO 81 2HD PRO 81 -4.230 4.133 3.009 628 2HD PRO 81 1HD PRO 81 -2.628 4.876 2.799 629 H SER 82 H SER 82 -2.612 -0.502 4.980 630 HA SER 82 HA SER 82 -4.658 -1.595 3.368 631 1HB SER 82 2HB SER 82 -4.332 -3.641 4.667 632 2HB SER 82 1HB SER 82 -2.774 -2.909 4.290 633 HG SER 82 HG SER 82 -2.709 -3.423 6.428 634 H SER 83 H SER 83 -4.720 -0.043 6.447 635 HA SER 83 HA SER 83 -7.086 -1.140 7.509 636 1HB SER 83 1HB SER 83 -5.789 1.538 8.032 637 2HB SER 83 2HB SER 83 -7.058 0.814 9.021 638 HG SER 83 HG SER 83 -4.865 0.455 9.775 639 H ILE 84 H ILE 84 -6.684 1.150 4.932 640 HA ILE 84 HA ILE 84 -9.376 2.208 5.355 641 HB ILE 84 HB ILE 84 -8.993 3.799 3.627 642 1HG1 ILE 84 1HG1 ILE 84 -6.245 2.654 3.152 643 2HG1 ILE 84 2HG1 ILE 84 -7.638 2.184 2.178 644 1HG2 ILE 84 1HG2 ILE 84 -7.366 5.116 4.669 645 2HG2 ILE 84 2HG2 ILE 84 -6.428 3.713 5.180 646 3HG2 ILE 84 3HG2 ILE 84 -7.978 4.064 5.944 647 1HD1 ILE 84 1HD1 ILE 84 -7.145 3.892 0.867 648 2HD1 ILE 84 2HD1 ILE 84 -5.998 4.549 2.035 649 3HD1 ILE 84 3HD1 ILE 84 -7.713 4.937 2.169 650 H VAL 85 H VAL 85 -8.052 -0.435 3.798 651 HA VAL 85 HA VAL 85 -10.338 -0.509 1.932 652 HB VAL 85 HB VAL 85 -9.031 -1.901 0.395 653 1HG1 VAL 85 1HG1 VAL 85 -8.954 0.767 0.577 654 2HG1 VAL 85 2HG1 VAL 85 -8.121 -0.140 -0.686 655 3HG1 VAL 85 3HG1 VAL 85 -7.232 0.416 0.733 656 1HG2 VAL 85 1HG2 VAL 85 -6.483 -1.869 0.760 657 2HG2 VAL 85 2HG2 VAL 85 -7.445 -3.029 1.677 658 3HG2 VAL 85 3HG2 VAL 85 -6.875 -1.548 2.449 659 H ARG 86 H ARG 86 -10.937 -2.749 1.253 660 HA ARG 86 HA ARG 86 -10.483 -4.762 3.326 661 1HB ARG 86 2HB ARG 86 -12.555 -3.480 3.889 662 2HB ARG 86 1HB ARG 86 -13.245 -4.009 2.361 663 1HG ARG 86 2HG ARG 86 -13.157 -6.316 3.069 664 2HG ARG 86 1HG ARG 86 -12.349 -5.851 4.569 665 1HD ARG 86 2HD ARG 86 -14.309 -4.547 5.218 666 2HD ARG 86 1HD ARG 86 -15.120 -5.014 3.723 667 HE ARG 86 HE ARG 86 -14.345 -7.339 5.074 668 1HH1 ARG 86 1HH1 ARG 86 -16.617 -4.696 5.464 669 2HH1 ARG 86 2HH1 ARG 86 -17.746 -5.646 6.368 670 1HH2 ARG 86 1HH2 ARG 86 -15.837 -8.570 6.262 671 2HH2 ARG 86 2HH2 ARG 86 -17.305 -7.838 6.820 672 H GLU 87 H GLU 87 -9.801 -6.516 2.332 673 HA GLU 87 HA GLU 87 -10.234 -6.966 -0.473 674 1HB GLU 87 1HB GLU 87 -8.617 -8.180 1.679 675 2HB GLU 87 2HB GLU 87 -9.121 -9.280 0.403 676 1HG GLU 87 2HG GLU 87 -8.144 -7.696 -1.251 677 2HG GLU 87 1HG GLU 87 -7.520 -6.752 0.101 678 H ASP 88 H ASP 88 -11.777 -8.148 -1.400 679 HA ASP 88 HA ASP 88 -13.396 -9.915 0.313 680 1HB ASP 88 1HB ASP 88 -14.350 -8.161 -1.959 681 2HB ASP 88 2HB ASP 88 -15.352 -9.312 -1.082 682 H GLN 89 H GLN 89 -12.056 -9.358 -2.914 683 HA GLN 89 HA GLN 89 -12.354 -12.248 -3.430 684 1HB GLN 89 2HB GLN 89 -14.193 -10.976 -4.546 685 2HB GLN 89 1HB GLN 89 -12.980 -10.101 -5.466 686 1HG GLN 89 2HG GLN 89 -12.562 -12.921 -5.751 687 2HG GLN 89 1HG GLN 89 -14.238 -12.519 -6.122 688 1HE2 GLN 89 1HE2 GLN 89 -11.344 -12.958 -7.478 689 2HE2 GLN 89 2HE2 GLN 89 -11.465 -11.918 -8.850 690 H THR 90 H THR 90 -10.649 -13.221 -4.413 691 HA THR 90 HA THR 90 -8.313 -11.548 -5.031 692 HB THR 90 HB THR 90 -8.438 -14.550 -4.668 693 HG1 THR 90 HG1 THR 90 -7.700 -14.172 -2.597 694 1HG2 THR 90 1HG2 THR 90 -6.242 -14.682 -4.960 695 2HG2 THR 90 2HG2 THR 90 -5.943 -13.194 -4.060 696 3HG2 THR 90 3HG2 THR 90 -6.396 -13.119 -5.763 697 H LEU 91 H LEU 91 -7.751 -11.202 -7.067 698 HA LEU 91 HA LEU 91 -9.211 -12.461 -9.225 699 1HB LEU 91 1HB LEU 91 -6.992 -10.433 -9.443 700 2HB LEU 91 2HB LEU 91 -8.239 -10.783 -10.622 701 HG LEU 91 HG LEU 91 -8.921 -9.648 -7.922 702 1HD1 LEU 91 1HD2 LEU 91 -7.347 -8.095 -8.786 703 2HD1 LEU 91 2HD2 LEU 91 -8.954 -7.424 -9.060 704 3HD1 LEU 91 3HD2 LEU 91 -8.068 -8.165 -10.393 705 1HD2 LEU 91 1HD1 LEU 91 -10.940 -10.132 -8.784 706 2HD2 LEU 91 2HD1 LEU 91 -10.341 -10.179 -10.442 707 3HD2 LEU 91 3HD1 LEU 91 -10.693 -8.629 -9.674 708 H LYS 92 H LYS 92 -5.862 -12.298 -8.103 709 HA LYS 92 HA LYS 92 -5.248 -14.766 -9.482 710 1HB LYS 92 2HB LYS 92 -4.879 -12.830 -11.123 711 2HB LYS 92 1HB LYS 92 -3.529 -12.361 -10.102 712 1HG LYS 92 1HG LYS 92 -2.243 -14.143 -10.723 713 2HG LYS 92 2HG LYS 92 -3.633 -15.177 -11.048 714 1HD LYS 92 1HD LYS 92 -2.867 -12.833 -12.790 715 2HD LYS 92 2HD LYS 92 -2.304 -14.477 -13.071 716 1HE LYS 92 2HE LYS 92 -4.623 -15.236 -13.290 717 2HE LYS 92 1HE LYS 92 -5.188 -13.590 -13.008 718 1HZ LYS 92 1HZ LYS 92 -3.311 -14.158 -15.207 719 2HZ LYS 92 2HZ LYS 92 -4.412 -12.883 -15.049 720 3HZ LYS 92 3HZ LYS 92 -4.968 -14.439 -15.410 721 HA PRO 93 HA PRO 93 -2.982 -15.474 -5.680 722 1HB PRO 93 1HB PRO 93 -1.126 -16.977 -7.471 723 2HB PRO 93 2HB PRO 93 -1.864 -17.467 -5.944 724 1HG PRO 93 1HG PRO 93 -2.799 -18.385 -8.253 725 2HG PRO 93 2HG PRO 93 -3.902 -17.955 -6.931 726 1HD PRO 93 2HD PRO 93 -3.312 -16.494 -9.460 727 2HD PRO 93 1HD PRO 93 -4.820 -16.602 -8.538 728 H GLY 94 H GLY 94 -1.530 -14.332 -4.627 729 1HA GLY 94 1HA GLY 94 0.656 -13.029 -6.132 730 2HA GLY 94 2HA GLY 94 -0.101 -12.350 -4.696 731 H LYS 95 H LYS 95 1.924 -14.934 -5.900 732 HA LYS 95 HA LYS 95 3.080 -15.226 -3.220 733 1HB LYS 95 1HB LYS 95 3.494 -17.688 -4.062 734 2HB LYS 95 2HB LYS 95 1.967 -17.218 -3.327 735 1HG LYS 95 2HG LYS 95 0.958 -16.958 -5.515 736 2HG LYS 95 1HG LYS 95 2.494 -17.343 -6.288 737 1HD LYS 95 2HD LYS 95 1.267 -19.333 -6.402 738 2HD LYS 95 1HD LYS 95 2.355 -19.577 -5.036 739 1HE LYS 95 2HE LYS 95 -0.487 -18.617 -4.739 740 2HE LYS 95 1HE LYS 95 -0.039 -20.320 -4.703 741 1HZ LYS 95 1HZ LYS 95 0.032 -19.853 -2.498 742 2HZ LYS 95 2HZ LYS 95 0.440 -18.227 -2.720 743 3HZ LYS 95 3HZ LYS 95 1.622 -19.425 -2.884 744 H VAL 96 H VAL 96 4.111 -13.516 -5.255 745 HA VAL 96 HA VAL 96 6.709 -14.830 -5.748 746 HB VAL 96 HB VAL 96 5.384 -12.820 -7.594 747 1HG1 VAL 96 1HG1 VAL 96 8.016 -14.283 -7.827 748 2HG1 VAL 96 2HG1 VAL 96 7.787 -12.548 -7.612 749 3HG1 VAL 96 3HG1 VAL 96 7.276 -13.325 -9.110 750 1HG2 VAL 96 1HG2 VAL 96 5.818 -15.789 -7.878 751 2HG2 VAL 96 2HG2 VAL 96 5.378 -14.727 -9.214 752 3HG2 VAL 96 3HG2 VAL 96 4.282 -14.924 -7.848 753 H ASP 97 H ASP 97 8.205 -13.909 -4.505 754 HA ASP 97 HA ASP 97 7.828 -11.232 -3.452 755 1HB ASP 97 2HB ASP 97 8.628 -13.146 -2.043 756 2HB ASP 97 1HB ASP 97 10.120 -13.152 -2.975 757 H VAL 98 H VAL 98 8.564 -9.474 -4.401 758 HA VAL 98 HA VAL 98 11.026 -9.605 -6.026 759 HB VAL 98 HB VAL 98 8.628 -7.877 -6.702 760 1HG1 VAL 98 1HG1 VAL 98 11.217 -7.478 -7.401 761 2HG1 VAL 98 2HG1 VAL 98 9.834 -6.954 -8.360 762 3HG1 VAL 98 3HG1 VAL 98 10.652 -8.467 -8.748 763 1HG2 VAL 98 1HG2 VAL 98 9.068 -10.656 -7.267 764 2HG2 VAL 98 2HG2 VAL 98 9.060 -9.727 -8.765 765 3HG2 VAL 98 3HG2 VAL 98 7.683 -9.639 -7.665 766 H LYS 99 H LYS 99 12.511 -8.054 -5.553 767 HA LYS 99 HA LYS 99 11.964 -6.247 -3.357 768 1HB LYS 99 2HB LYS 99 14.359 -5.655 -3.513 769 2HB LYS 99 1HB LYS 99 14.110 -7.386 -3.382 770 1HG LYS 99 2HG LYS 99 14.313 -6.382 -6.124 771 2HG LYS 99 1HG LYS 99 15.767 -6.203 -5.146 772 1HD LYS 99 2HD LYS 99 15.711 -8.593 -4.621 773 2HD LYS 99 1HD LYS 99 14.250 -8.775 -5.590 774 1HE LYS 99 2HE LYS 99 15.481 -8.053 -7.578 775 2HE LYS 99 1HE LYS 99 16.942 -7.876 -6.607 776 1HZ LYS 99 1HZ LYS 99 15.521 -10.456 -6.703 777 2HZ LYS 99 2HZ LYS 99 17.146 -10.149 -6.349 778 3HZ LYS 99 3HZ LYS 99 16.590 -10.026 -7.941 779 H THR 100 H THR 100 12.557 -3.916 -3.478 780 HA THR 100 HA THR 100 11.698 -2.788 -6.058 781 HB THR 100 HB THR 100 11.120 -0.749 -4.800 782 HG1 THR 100 HG1 THR 100 12.301 -2.192 -2.701 783 1HG2 THR 100 1HG2 THR 100 9.599 -2.901 -4.878 784 2HG2 THR 100 2HG2 THR 100 9.154 -1.475 -3.940 785 3HG2 THR 100 3HG2 THR 100 9.882 -2.867 -3.138 786 H ASP 101 H ASP 101 12.882 -1.305 -7.148 787 HA ASP 101 HA ASP 101 15.679 -1.032 -6.389 788 1HB ASP 101 2HB ASP 101 14.221 -0.238 -8.915 789 2HB ASP 101 1HB ASP 101 15.959 -0.113 -8.674 790 H LYS 102 H LYS 102 16.519 1.300 -7.370 791 HA LYS 102 HA LYS 102 15.472 3.214 -5.490 792 1HB LYS 102 2HB LYS 102 17.303 4.661 -6.248 793 2HB LYS 102 1HB LYS 102 17.884 3.054 -5.844 794 1HG LYS 102 2HG LYS 102 18.102 2.470 -8.150 795 2HG LYS 102 1HG LYS 102 17.285 3.947 -8.657 796 1HD LYS 102 2HD LYS 102 19.846 4.041 -7.092 797 2HD LYS 102 1HD LYS 102 19.847 3.845 -8.844 798 1HE LYS 102 2HE LYS 102 20.104 6.162 -8.440 799 2HE LYS 102 1HE LYS 102 18.436 5.940 -8.960 800 1HZ LYS 102 1HZ LYS 102 17.632 6.447 -6.905 801 2HZ LYS 102 2HZ LYS 102 19.032 7.395 -6.882 802 3HZ LYS 102 3HZ LYS 102 19.010 5.903 -6.086 803 H TRP 103 H TRP 103 14.922 2.493 -8.793 804 HA TRP 103 HA TRP 103 14.119 5.140 -9.588 805 1HB TRP 103 2HB TRP 103 13.664 2.493 -10.983 806 2HB TRP 103 1HB TRP 103 13.435 4.085 -11.694 807 HD1 TRP 103 HD1 TRP 103 16.194 1.663 -10.609 808 HE1 TRP 103 HE1 TRP 103 18.411 2.392 -11.691 809 HE3 TRP 103 HE3 TRP 103 14.686 6.106 -12.653 810 HZ2 TRP 103 HZ2 TRP 103 19.393 4.557 -13.200 811 HZ3 TRP 103 HZ3 TRP 103 16.331 7.445 -13.901 812 HH2 TRP 103 HH2 TRP 103 18.635 6.685 -14.168 813 H ASP 104 H ASP 104 12.683 2.887 -7.648 814 HA ASP 104 HA ASP 104 9.963 3.231 -8.564 815 1HB ASP 104 2HB ASP 104 11.241 1.744 -6.282 816 2HB ASP 104 1HB ASP 104 9.494 1.926 -6.378 817 H PHE 105 H PHE 105 12.005 4.428 -5.943 818 HA PHE 105 HA PHE 105 9.794 5.983 -4.836 819 1HB PHE 105 1HB PHE 105 12.654 5.929 -3.861 820 2HB PHE 105 2HB PHE 105 11.234 6.478 -2.982 821 HD1 PHE 105 HD1 PHE 105 13.187 3.594 -4.038 822 HD2 PHE 105 HD2 PHE 105 9.667 4.879 -2.019 823 HE1 PHE 105 HE1 PHE 105 12.939 1.354 -3.050 824 HE2 PHE 105 HE2 PHE 105 9.416 2.642 -1.030 825 HZ PHE 105 HZ PHE 105 11.054 0.879 -1.539 826 H TYR 106 H TYR 106 12.339 6.380 -7.048 827 HA TYR 106 HA TYR 106 12.611 9.241 -6.625 828 1HB TYR 106 2HB TYR 106 14.561 7.764 -7.171 829 2HB TYR 106 1HB TYR 106 13.859 7.485 -8.753 830 HD1 TYR 106 HD1 TYR 106 15.421 8.384 -10.207 831 HD2 TYR 106 HD2 TYR 106 14.155 10.733 -6.886 832 HE1 TYR 106 HE1 TYR 106 16.666 10.309 -11.092 833 HE2 TYR 106 HE2 TYR 106 15.394 12.656 -7.767 834 HH TYR 106 HH TYR 106 17.510 12.366 -10.549 835 H CYS 107 H CYS 107 10.681 10.169 -7.181 836 HA CYS 107 HA CYS 107 9.621 9.684 -9.877 837 1HB CYS 107 1HB CYS 107 8.029 9.403 -8.048 838 2HB CYS 107 2HB CYS 107 8.340 11.040 -7.502 839 H GLN 108 HN GLN 108 10.494 10.972 -11.298 840 HA GLN 108 HA GLN 108 10.367 13.862 -10.890 841 1HB GLN 108 2HB GLN 108 12.866 12.352 -11.638 842 2HB GLN 108 1HB GLN 108 12.656 14.054 -12.021 843 1HG GLN 108 2HG GLN 108 12.494 12.937 -9.229 844 2HG GLN 108 1HG GLN 108 13.968 13.576 -9.951 845 1HE2 GLN 108 1HE2 GLN 108 14.402 15.599 -9.495 846 2HE2 GLN 108 2HE2 GLN 108 13.263 16.821 -9.054 Start of MODEL 18 1 1H MET 1 1HT MET 1 7.474 13.802 -2.859 2 2H MET 1 2HT MET 1 6.302 14.759 -3.616 3 3H MET 1 3HT MET 1 7.366 15.452 -2.498 4 HA MET 1 HA MET 1 8.273 14.196 -5.016 5 1HB MET 1 2HB MET 1 6.694 16.079 -5.425 6 2HB MET 1 1HB MET 1 7.730 17.125 -4.465 7 1HG MET 1 1HG MET 1 9.545 16.802 -6.074 8 2HG MET 1 2HG MET 1 8.500 15.759 -7.037 9 1HE MET 1 1HE MET 1 7.544 19.272 -5.233 10 2HE MET 1 2HE MET 1 8.080 20.321 -6.546 11 3HE MET 1 3HE MET 1 9.240 19.283 -5.717 12 H GLY 2 H GLY 2 10.333 13.674 -4.716 13 1HA GLY 2 2HA GLY 2 12.577 14.823 -4.511 14 2HA GLY 2 1HA GLY 2 11.985 15.377 -2.954 15 HA PRO 3 HA PRO 3 14.077 11.197 -2.475 16 1HB PRO 3 2HB PRO 3 16.329 12.203 -1.114 17 2HB PRO 3 1HB PRO 3 16.273 11.579 -2.757 18 1HG PRO 3 1HG PRO 3 16.731 14.242 -1.960 19 2HG PRO 3 2HG PRO 3 16.523 13.632 -3.606 20 1HD PRO 3 1HD PRO 3 14.627 15.069 -1.889 21 2HD PRO 3 2HD PRO 3 14.644 14.880 -3.648 22 H MET 4 H MET 4 13.169 10.178 -0.853 23 HA MET 4 HA MET 4 13.422 11.222 1.872 24 1HB MET 4 2HB MET 4 11.020 10.579 2.292 25 2HB MET 4 1HB MET 4 11.241 11.983 1.255 26 1HG MET 4 1HG MET 4 10.799 10.638 -0.711 27 2HG MET 4 2HG MET 4 10.659 9.192 0.285 28 1HE MET 4 1HE MET 4 7.553 9.947 2.442 29 2HE MET 4 2HE MET 4 9.236 9.421 2.498 30 3HE MET 4 3HE MET 4 8.071 8.545 1.503 31 HA PRO 5 HA PRO 5 14.454 7.082 3.135 32 1HB PRO 5 2HB PRO 5 12.284 7.228 5.173 33 2HB PRO 5 1HB PRO 5 13.992 6.825 5.377 34 1HG PRO 5 2HG PRO 5 13.073 9.194 6.135 35 2HG PRO 5 1HG PRO 5 14.650 9.056 5.332 36 1HD PRO 5 1HD PRO 5 12.028 9.979 4.222 37 2HD PRO 5 2HD PRO 5 13.664 10.596 3.921 38 H LYS 6 H LYS 6 13.888 5.019 2.682 39 HA LYS 6 HA LYS 6 11.566 4.547 1.117 40 1HB LYS 6 1HB LYS 6 13.502 2.540 2.282 41 2HB LYS 6 2HB LYS 6 12.373 2.250 0.966 42 1HG LYS 6 2HG LYS 6 13.566 3.931 -0.389 43 2HG LYS 6 1HG LYS 6 14.727 4.129 0.923 44 1HD LYS 6 1HD LYS 6 14.193 1.487 -0.424 45 2HD LYS 6 2HD LYS 6 15.450 2.605 -0.952 46 1HE LYS 6 2HE LYS 6 15.246 1.357 1.789 47 2HE LYS 6 1HE LYS 6 16.339 0.840 0.505 48 1HZ LYS 6 1HZ LYS 6 17.072 3.328 0.612 49 2HZ LYS 6 2HZ LYS 6 17.695 2.203 1.710 50 3HZ LYS 6 3HZ LYS 6 16.447 3.244 2.181 51 H LEU 7 H LEU 7 9.694 3.509 1.571 52 HA LEU 7 HA LEU 7 8.849 3.369 4.305 53 1HB LEU 7 2HB LEU 7 7.377 4.028 2.380 54 2HB LEU 7 1HB LEU 7 7.437 2.366 1.826 55 HG LEU 7 HG LEU 7 6.384 1.691 4.020 56 1HD1 LEU 7 1HD1 LEU 7 5.037 4.000 4.732 57 2HD1 LEU 7 2HD1 LEU 7 6.703 4.533 4.506 58 3HD1 LEU 7 3HD1 LEU 7 6.340 3.226 5.634 59 1HD2 LEU 7 1HD2 LEU 7 4.658 3.599 2.478 60 2HD2 LEU 7 2HD2 LEU 7 4.208 2.079 3.250 61 3HD2 LEU 7 3HD2 LEU 7 5.205 2.067 1.796 62 H ALA 8 H ALA 8 9.538 1.033 1.748 63 HA ALA 8 HA ALA 8 10.040 -1.028 3.751 64 1HB ALA 8 1HB ALA 8 8.712 -2.387 1.690 65 2HB ALA 8 2HB ALA 8 7.709 -0.987 2.072 66 3HB ALA 8 3HB ALA 8 8.152 -2.129 3.344 67 H ASP 9 H ASP 9 10.898 -3.088 2.519 68 HA ASP 9 HA ASP 9 12.812 -2.101 0.516 69 1HB ASP 9 1HB ASP 9 13.679 -2.989 2.743 70 2HB ASP 9 2HB ASP 9 13.166 -4.582 2.193 71 H ARG 10 H ARG 10 10.794 -4.939 1.340 72 HA ARG 10 HA ARG 10 10.831 -5.621 -1.528 73 1HB ARG 10 2HB ARG 10 10.597 -7.612 0.716 74 2HB ARG 10 1HB ARG 10 10.620 -7.978 -0.992 75 1HG ARG 10 2HG ARG 10 12.778 -8.435 -0.579 76 2HG ARG 10 1HG ARG 10 12.967 -6.689 -0.765 77 1HD ARG 10 1HD ARG 10 12.882 -6.365 1.608 78 2HD ARG 10 2HD ARG 10 12.469 -8.058 1.872 79 HE ARG 10 HE ARG 10 14.918 -7.924 0.510 80 1HH1 ARG 10 1HH1 ARG 10 13.601 -7.200 3.679 81 2HH1 ARG 10 2HH1 ARG 10 15.107 -7.460 4.490 82 1HH2 ARG 10 1HH2 ARG 10 16.884 -8.261 1.592 83 2HH2 ARG 10 2HH2 ARG 10 16.965 -8.059 3.310 84 H LYS 11 H LYS 11 8.992 -6.648 -2.378 85 HA LYS 11 HA LYS 11 6.479 -6.271 -0.904 86 1HB LYS 11 2HB LYS 11 5.493 -5.469 -3.069 87 2HB LYS 11 1HB LYS 11 6.692 -4.378 -2.387 88 1HG LYS 11 1HG LYS 11 8.372 -5.525 -3.924 89 2HG LYS 11 2HG LYS 11 6.970 -6.215 -4.743 90 1HD LYS 11 2HD LYS 11 6.133 -4.022 -5.258 91 2HD LYS 11 1HD LYS 11 7.424 -3.273 -4.315 92 1HE LYS 11 2HE LYS 11 9.081 -4.229 -5.853 93 2HE LYS 11 1HE LYS 11 7.775 -4.936 -6.807 94 1HZ LYS 11 1HZ LYS 11 6.971 -2.459 -6.858 95 2HZ LYS 11 2HZ LYS 11 8.135 -3.017 -7.952 96 3HZ LYS 11 3HZ LYS 11 8.609 -2.137 -6.588 97 H LEU 12 H LEU 12 4.648 -7.454 -2.103 98 HA LEU 12 HA LEU 12 5.672 -9.890 -3.380 99 1HB LEU 12 2HB LEU 12 3.721 -9.646 -1.124 100 2HB LEU 12 1HB LEU 12 3.616 -10.999 -2.230 101 HG LEU 12 HG LEU 12 6.136 -11.341 -1.654 102 1HD1 LEU 12 1HD1 LEU 12 5.235 -9.423 0.432 103 2HD1 LEU 12 2HD1 LEU 12 6.799 -9.571 -0.371 104 3HD1 LEU 12 3HD1 LEU 12 6.341 -10.720 0.886 105 1HD2 LEU 12 1HD2 LEU 12 3.793 -12.472 -0.787 106 2HD2 LEU 12 2HD2 LEU 12 4.634 -12.096 0.718 107 3HD2 LEU 12 3HD2 LEU 12 5.418 -13.100 -0.503 108 H CYS 13 H CYS 13 4.973 -10.037 -5.353 109 HA CYS 13 HA CYS 13 2.323 -8.960 -6.055 110 1HB CYS 13 2HB CYS 13 4.692 -9.374 -7.893 111 2HB CYS 13 1HB CYS 13 3.178 -8.568 -8.288 112 H ALA 14 H ALA 14 1.629 -10.084 -8.280 113 HA ALA 14 HA ALA 14 1.283 -12.879 -7.647 114 1HB ALA 14 1HB ALA 14 0.159 -11.022 -9.701 115 2HB ALA 14 2HB ALA 14 -0.675 -11.970 -8.470 116 3HB ALA 14 3HB ALA 14 -0.018 -12.766 -9.899 117 H ASP 15 H ASP 15 2.878 -10.952 -10.128 118 HA ASP 15 HA ASP 15 4.361 -13.348 -10.995 119 1HB ASP 15 2HB ASP 15 3.310 -11.067 -12.684 120 2HB ASP 15 1HB ASP 15 4.515 -12.211 -13.258 121 H GLN 16 H GLN 16 6.451 -12.654 -12.183 122 HA GLN 16 HA GLN 16 8.003 -11.080 -10.380 123 1HB GLN 16 2HB GLN 16 8.837 -13.067 -11.675 124 2HB GLN 16 1HB GLN 16 8.797 -12.075 -13.125 125 1HG GLN 16 2HG GLN 16 10.441 -10.564 -12.156 126 2HG GLN 16 1HG GLN 16 10.458 -11.513 -10.676 127 1HE2 GLN 16 1HE2 GLN 16 10.159 -13.785 -13.012 128 2HE2 GLN 16 2HE2 GLN 16 11.821 -14.117 -13.318 129 H GLU 17 H GLU 17 6.092 -10.336 -13.087 130 HA GLU 17 HA GLU 17 7.497 -7.886 -13.786 131 1HB GLU 17 2HB GLU 17 4.912 -9.104 -14.790 132 2HB GLU 17 1HB GLU 17 5.572 -7.593 -15.387 133 1HG GLU 17 2HG GLU 17 7.051 -10.212 -15.513 134 2HG GLU 17 1HG GLU 17 6.008 -9.621 -16.802 135 H CYS 18 H CYS 18 5.032 -8.983 -11.692 136 HA CYS 18 HA CYS 18 3.549 -8.015 -10.283 137 1HB CYS 18 1HB CYS 18 5.773 -6.895 -9.609 138 2HB CYS 18 2HB CYS 18 5.170 -5.476 -10.460 139 H SER 19 H SER 19 3.101 -7.892 -13.088 140 HA SER 19 HA SER 19 1.712 -5.377 -13.549 141 1HB SER 19 2HB SER 19 3.179 -6.142 -15.313 142 2HB SER 19 1HB SER 19 2.352 -7.686 -15.363 143 HG SER 19 HG SER 19 1.785 -5.829 -16.916 144 H HIS 20 H HIS 20 1.063 -8.391 -12.299 145 HA HIS 20 HA HIS 20 -1.705 -8.488 -13.241 146 1HB HIS 20 2HB HIS 20 0.166 -10.444 -12.016 147 2HB HIS 20 1HB HIS 20 -1.539 -10.637 -11.648 148 HD1 HIS 20 HD1 HIS 20 -0.943 -12.955 -12.950 149 HD2 HIS 20 HD2 HIS 20 -1.249 -9.523 -15.269 150 HE1 HIS 20 HE1 HIS 20 -1.382 -13.765 -15.277 151 HE2 HIS 20 HE2 HIS 20 -1.432 -11.675 -16.694 152 HA PRO 21 HA PRO 21 -3.085 -6.972 -9.262 153 1HB PRO 21 1HB PRO 21 -5.769 -7.308 -9.651 154 2HB PRO 21 2HB PRO 21 -4.825 -6.010 -10.385 155 1HG PRO 21 1HG PRO 21 -6.068 -8.302 -11.655 156 2HG PRO 21 2HG PRO 21 -5.329 -6.879 -12.403 157 1HD PRO 21 1HD PRO 21 -4.215 -9.549 -12.009 158 2HD PRO 21 2HD PRO 21 -3.620 -8.220 -13.027 159 H ILE 22 H ILE 22 -2.857 -8.065 -7.418 160 HA ILE 22 HA ILE 22 -3.385 -10.832 -7.155 161 HB ILE 22 HB ILE 22 -2.931 -8.843 -4.922 162 1HG1 ILE 22 2HG1 ILE 22 -0.866 -10.599 -6.265 163 2HG1 ILE 22 1HG1 ILE 22 -1.153 -8.926 -6.745 164 1HG2 ILE 22 1HG2 ILE 22 -1.960 -11.572 -4.563 165 2HG2 ILE 22 2HG2 ILE 22 -3.712 -11.489 -4.761 166 3HG2 ILE 22 3HG2 ILE 22 -2.923 -10.563 -3.484 167 1HD1 ILE 22 1HD1 ILE 22 0.122 -10.009 -4.298 168 2HD1 ILE 22 2HD1 ILE 22 -0.768 -8.492 -4.175 169 3HD1 ILE 22 3HD1 ILE 22 0.578 -8.635 -5.305 170 H SER 23 H SER 23 -4.857 -8.155 -5.283 171 HA SER 23 HA SER 23 -7.404 -9.623 -5.369 172 1HB SER 23 2HB SER 23 -7.721 -9.009 -2.938 173 2HB SER 23 1HB SER 23 -6.450 -10.196 -3.247 174 HG SER 23 HG SER 23 -5.143 -8.863 -2.309 175 H MET 24 H MET 24 -9.194 -8.445 -5.537 176 HA MET 24 HA MET 24 -8.939 -5.580 -5.987 177 1HB MET 24 1HB MET 24 -10.154 -7.096 -7.581 178 2HB MET 24 2HB MET 24 -11.351 -7.367 -6.324 179 1HG MET 24 2HG MET 24 -10.750 -4.568 -7.088 180 2HG MET 24 1HG MET 24 -11.669 -5.561 -8.213 181 1HE MET 24 1HE MET 24 -13.333 -7.387 -6.777 182 2HE MET 24 2HE MET 24 -14.347 -6.283 -7.705 183 3HE MET 24 3HE MET 24 -14.730 -6.623 -6.017 184 H ALA 25 H ALA 25 -9.087 -4.342 -4.219 185 HA ALA 25 HA ALA 25 -10.962 -5.147 -2.094 186 1HB ALA 25 1HB ALA 25 -9.024 -5.139 -0.933 187 2HB ALA 25 2HB ALA 25 -9.372 -3.414 -0.817 188 3HB ALA 25 3HB ALA 25 -8.240 -4.004 -2.033 189 H VAL 26 H VAL 26 -12.318 -3.673 -1.168 190 HA VAL 26 HA VAL 26 -12.842 -1.263 -2.771 191 HB VAL 26 HB VAL 26 -14.552 -2.502 -0.593 192 1HG1 VAL 26 1HG2 VAL 26 -15.219 -0.255 -0.800 193 2HG1 VAL 26 2HG2 VAL 26 -16.360 -1.161 -1.793 194 3HG1 VAL 26 3HG2 VAL 26 -15.039 -0.276 -2.555 195 1HG2 VAL 26 1HG1 VAL 26 -14.041 -3.468 -3.175 196 2HG2 VAL 26 2HG1 VAL 26 -15.639 -2.724 -3.243 197 3HG2 VAL 26 3HG1 VAL 26 -15.304 -3.990 -2.062 198 H ALA 27 H ALA 27 -12.841 0.820 -1.927 199 HA ALA 27 HA ALA 27 -11.292 1.212 0.498 200 1HB ALA 27 1HB ALA 27 -10.901 2.521 -1.601 201 2HB ALA 27 2HB ALA 27 -11.105 3.491 -0.141 202 3HB ALA 27 3HB ALA 27 -12.433 3.343 -1.297 203 H LEU 28 H LEU 28 -12.023 1.823 2.408 204 HA LEU 28 HA LEU 28 -14.886 2.066 2.806 205 1HB LEU 28 2HB LEU 28 -12.565 1.613 4.658 206 2HB LEU 28 1HB LEU 28 -14.146 2.031 5.278 207 HG LEU 28 HG LEU 28 -13.823 -0.346 5.450 208 1HD1 LEU 28 1HD1 LEU 28 -15.882 -0.959 4.767 209 2HD1 LEU 28 2HD1 LEU 28 -15.646 -0.344 3.131 210 3HD1 LEU 28 3HD1 LEU 28 -16.037 0.768 4.443 211 1HD2 LEU 28 1HD2 LEU 28 -12.373 -0.126 3.107 212 2HD2 LEU 28 2HD2 LEU 28 -13.792 -1.073 2.659 213 3HD2 LEU 28 3HD2 LEU 28 -12.756 -1.607 3.983 214 H GLN 29 H GLN 29 -12.377 4.275 2.352 215 HA GLN 29 HA GLN 29 -14.049 6.457 3.141 216 1HB GLN 29 1HB GLN 29 -12.518 7.421 4.861 217 2HB GLN 29 2HB GLN 29 -13.285 5.926 5.373 218 1HG GLN 29 2HG GLN 29 -11.237 4.691 4.900 219 2HG GLN 29 1HG GLN 29 -10.466 6.168 4.335 220 1HE2 GLN 29 1HE2 GLN 29 -12.313 7.188 6.852 221 2HE2 GLN 29 2HE2 GLN 29 -11.173 7.022 8.133 222 H ASP 30 H ASP 30 -12.483 8.560 3.323 223 HA ASP 30 HA ASP 30 -11.242 8.737 0.702 224 1HB ASP 30 2HB ASP 30 -11.853 10.850 2.780 225 2HB ASP 30 1HB ASP 30 -11.182 11.177 1.187 226 H TYR 31 H TYR 31 -9.173 9.488 0.312 227 HA TYR 31 HA TYR 31 -7.303 9.922 2.476 228 1HB TYR 31 2HB TYR 31 -7.427 7.372 1.917 229 2HB TYR 31 1HB TYR 31 -6.569 7.821 0.450 230 HD1 TYR 31 HD1 TYR 31 -4.235 8.146 0.467 231 HD2 TYR 31 HD2 TYR 31 -6.343 7.943 4.160 232 HE1 TYR 31 HE1 TYR 31 -2.095 8.078 1.678 233 HE2 TYR 31 HE2 TYR 31 -4.211 7.873 5.379 234 HH TYR 31 HH TYR 31 -1.645 8.798 4.654 235 H MET 32 H MET 32 -5.703 11.326 1.866 236 HA MET 32 HA MET 32 -5.569 12.044 -0.977 237 1HB MET 32 2HB MET 32 -6.449 13.846 0.403 238 2HB MET 32 1HB MET 32 -5.088 13.706 1.503 239 1HG MET 32 1HG MET 32 -4.841 15.620 0.077 240 2HG MET 32 2HG MET 32 -3.589 14.427 -0.230 241 1HE MET 32 1HE MET 32 -4.455 16.918 -2.487 242 2HE MET 32 2HE MET 32 -3.862 15.843 -3.754 243 3HE MET 32 3HE MET 32 -3.044 15.901 -2.192 244 H ALA 33 H ALA 33 -3.571 12.113 -1.969 245 HA ALA 33 HA ALA 33 -1.389 10.827 -0.529 246 1HB ALA 33 1HB ALA 33 -1.907 11.380 -3.425 247 2HB ALA 33 2HB ALA 33 -1.756 9.828 -2.602 248 3HB ALA 33 3HB ALA 33 -0.332 10.836 -2.852 249 HA PRO 34 HA PRO 34 0.427 14.980 -0.107 250 1HB PRO 34 2HB PRO 34 2.251 13.845 1.814 251 2HB PRO 34 1HB PRO 34 0.941 14.991 2.087 252 1HG PRO 34 2HG PRO 34 0.927 12.426 2.994 253 2HG PRO 34 1HG PRO 34 -0.545 13.351 2.646 254 1HD PRO 34 2HD PRO 34 0.830 11.264 0.995 255 2HD PRO 34 1HD PRO 34 -0.903 11.535 1.263 256 H ASP 35 H ASP 35 2.361 11.999 -0.090 257 HA ASP 35 HA ASP 35 4.594 13.352 -1.360 258 1HB ASP 35 2HB ASP 35 5.597 12.014 0.130 259 2HB ASP 35 1HB ASP 35 4.195 10.968 0.283 260 H CYS 36 H CYS 36 5.662 12.452 -3.215 261 HA CYS 36 HA CYS 36 3.995 12.185 -5.429 262 1HB CYS 36 1HB CYS 36 6.016 11.730 -6.709 263 2HB CYS 36 2HB CYS 36 6.290 13.026 -5.552 264 H ARG 37 H ARG 37 5.628 9.597 -3.583 265 HA ARG 37 HA ARG 37 4.583 7.672 -5.489 266 1HB ARG 37 2HB ARG 37 5.861 5.961 -4.138 267 2HB ARG 37 1HB ARG 37 6.805 7.170 -4.986 268 1HG ARG 37 1HG ARG 37 7.920 7.244 -3.045 269 2HG ARG 37 2HG ARG 37 6.629 8.355 -2.592 270 1HD ARG 37 2HD ARG 37 5.433 6.610 -1.463 271 2HD ARG 37 1HD ARG 37 6.560 5.395 -2.062 272 HE ARG 37 HE ARG 37 8.103 7.168 -0.653 273 1HH1 ARG 37 1HH1 ARG 37 5.301 5.209 0.109 274 2HH1 ARG 37 2HH1 ARG 37 5.791 4.939 1.746 275 1HH2 ARG 37 1HH2 ARG 37 8.737 6.793 1.498 276 2HH2 ARG 37 2HH2 ARG 37 7.734 5.832 2.533 277 H PHE 38 H PHE 38 2.906 9.167 -3.390 278 HA PHE 38 HA PHE 38 1.685 6.809 -2.120 279 1HB PHE 38 2HB PHE 38 1.911 9.615 -1.358 280 2HB PHE 38 1HB PHE 38 0.250 9.046 -1.277 281 HD1 PHE 38 HD1 PHE 38 -0.426 8.341 0.779 282 HD2 PHE 38 HD2 PHE 38 3.635 7.720 -0.334 283 HE1 PHE 38 HE1 PHE 38 0.019 7.321 2.972 284 HE2 PHE 38 HE2 PHE 38 4.082 6.696 1.855 285 HZ PHE 38 HZ PHE 38 2.274 6.495 3.513 286 H LEU 39 H LEU 39 -0.834 6.881 -2.121 287 HA LEU 39 HA LEU 39 -1.744 7.774 -4.786 288 1HB LEU 39 1HB LEU 39 -1.373 5.339 -4.680 289 2HB LEU 39 2HB LEU 39 -2.510 5.228 -3.356 290 HG LEU 39 HG LEU 39 -4.337 5.912 -4.850 291 1HD1 LEU 39 1HD2 LEU 39 -2.185 6.705 -6.565 292 2HD1 LEU 39 2HD2 LEU 39 -3.915 7.004 -6.735 293 3HD1 LEU 39 3HD2 LEU 39 -3.207 5.531 -7.396 294 1HD2 LEU 39 1HD1 LEU 39 -4.634 3.772 -5.360 295 2HD2 LEU 39 2HD1 LEU 39 -2.978 3.482 -4.827 296 3HD2 LEU 39 3HD1 LEU 39 -3.314 3.807 -6.529 297 H THR 40 H THR 40 -3.602 8.861 -4.940 298 HA THR 40 HA THR 40 -5.055 9.518 -2.494 299 HB THR 40 HB THR 40 -5.441 10.621 -5.293 300 HG1 THR 40 HG1 THR 40 -3.732 11.749 -4.944 301 1HG2 THR 40 1HG2 THR 40 -7.124 10.958 -3.200 302 2HG2 THR 40 2HG2 THR 40 -6.887 12.131 -4.494 303 3HG2 THR 40 3HG2 THR 40 -6.017 12.313 -2.968 304 H ILE 41 H ILE 41 -6.786 8.386 -1.931 305 HA ILE 41 HA ILE 41 -8.409 7.086 -4.033 306 HB ILE 41 HB ILE 41 -7.933 6.050 -1.219 307 1HG1 ILE 41 1HG1 ILE 41 -6.792 5.015 -3.832 308 2HG1 ILE 41 2HG1 ILE 41 -5.895 5.998 -2.683 309 1HG2 ILE 41 1HG2 ILE 41 -10.084 5.374 -2.188 310 2HG2 ILE 41 2HG2 ILE 41 -8.993 3.999 -2.029 311 3HG2 ILE 41 3HG2 ILE 41 -9.249 4.741 -3.607 312 1HD1 ILE 41 1HD1 ILE 41 -6.373 4.164 -0.989 313 2HD1 ILE 41 2HD1 ILE 41 -5.217 3.809 -2.276 314 3HD1 ILE 41 3HD1 ILE 41 -6.865 3.185 -2.373 315 H HIS 42 H HIS 42 -10.699 6.922 -3.620 316 HA HIS 42 HA HIS 42 -11.678 8.821 -1.592 317 1HB HIS 42 2HB HIS 42 -12.746 8.292 -4.365 318 2HB HIS 42 1HB HIS 42 -13.649 9.171 -3.137 319 HD1 HIS 42 HD1 HIS 42 -10.132 9.445 -4.606 320 HD2 HIS 42 HD2 HIS 42 -13.349 11.822 -3.476 321 HE1 HIS 42 HE1 HIS 42 -9.440 11.806 -5.125 322 HE2 HIS 42 HE2 HIS 42 -11.396 13.230 -4.420 323 H ARG 43 H ARG 43 -13.767 8.404 -0.713 324 HA ARG 43 HA ARG 43 -14.128 5.766 0.182 325 1HB ARG 43 2HB ARG 43 -14.825 7.417 1.667 326 2HB ARG 43 1HB ARG 43 -15.630 8.349 0.423 327 1HG ARG 43 1HG ARG 43 -17.281 7.497 1.889 328 2HG ARG 43 2HG ARG 43 -17.400 6.613 0.382 329 1HD ARG 43 2HD ARG 43 -16.284 4.711 1.334 330 2HD ARG 43 1HD ARG 43 -16.013 5.595 2.837 331 HE ARG 43 HE ARG 43 -18.729 5.656 2.409 332 1HH1 ARG 43 1HH1 ARG 43 -16.348 3.127 2.849 333 2HH1 ARG 43 2HH1 ARG 43 -17.464 2.049 3.614 334 1HH2 ARG 43 1HH2 ARG 43 -20.180 4.231 3.409 335 2HH2 ARG 43 2HH2 ARG 43 -19.633 2.672 3.930 336 H GLY 44 H GLY 44 -15.005 4.082 -0.811 337 1HA GLY 44 2HA GLY 44 -16.806 2.948 -1.835 338 2HA GLY 44 1HA GLY 44 -17.364 4.472 -2.499 339 H GLN 45 H GLN 45 -14.086 4.336 -3.103 340 HA GLN 45 HA GLN 45 -14.597 3.636 -5.873 341 1HB GLN 45 1HB GLN 45 -12.189 4.748 -4.455 342 2HB GLN 45 2HB GLN 45 -12.117 4.217 -6.129 343 1HG GLN 45 1HG GLN 45 -14.061 5.804 -6.544 344 2HG GLN 45 2HG GLN 45 -13.699 6.475 -4.954 345 1HE2 GLN 45 1HE2 GLN 45 -13.255 7.002 -8.096 346 2HE2 GLN 45 2HE2 GLN 45 -11.732 7.818 -8.077 347 H VAL 46 H VAL 46 -13.270 2.190 -7.081 348 HA VAL 46 HA VAL 46 -12.684 -0.275 -5.615 349 HB VAL 46 HB VAL 46 -12.625 0.117 -8.612 350 1HG1 VAL 46 1HG1 VAL 46 -12.887 -2.303 -6.845 351 2HG1 VAL 46 2HG1 VAL 46 -11.578 -1.911 -7.960 352 3HG1 VAL 46 3HG1 VAL 46 -13.174 -2.327 -8.586 353 1HG2 VAL 46 1HG2 VAL 46 -15.015 -1.194 -7.675 354 2HG2 VAL 46 2HG2 VAL 46 -14.838 0.186 -8.760 355 3HG2 VAL 46 3HG2 VAL 46 -14.887 0.437 -7.013 356 H VAL 47 H VAL 47 -10.636 -0.880 -5.172 357 HA VAL 47 HA VAL 47 -8.456 0.358 -6.722 358 HB VAL 47 HB VAL 47 -8.258 -0.318 -3.784 359 1HG1 VAL 47 1HG1 VAL 47 -6.193 0.873 -3.818 360 2HG1 VAL 47 2HG1 VAL 47 -6.475 1.436 -5.466 361 3HG1 VAL 47 3HG1 VAL 47 -6.161 -0.272 -5.158 362 1HG2 VAL 47 1HG2 VAL 47 -9.892 1.494 -4.147 363 2HG2 VAL 47 2HG2 VAL 47 -8.656 2.408 -5.011 364 3HG2 VAL 47 3HG2 VAL 47 -8.448 2.045 -3.299 365 H TYR 48 H TYR 48 -7.187 -1.026 -7.715 366 HA TYR 48 HA TYR 48 -7.290 -3.863 -7.029 367 1HB TYR 48 2HB TYR 48 -6.225 -2.348 -9.415 368 2HB TYR 48 1HB TYR 48 -5.845 -4.040 -9.159 369 HD1 TYR 48 HD1 TYR 48 -6.913 -5.197 -10.833 370 HD2 TYR 48 HD2 TYR 48 -9.119 -2.219 -8.738 371 HE1 TYR 48 HE1 TYR 48 -8.946 -5.852 -12.046 372 HE2 TYR 48 HE2 TYR 48 -11.154 -2.874 -9.945 373 HH TYR 48 HH TYR 48 -12.072 -4.675 -11.169 374 H VAL 49 H VAL 49 -5.779 -4.734 -5.764 375 HA VAL 49 HA VAL 49 -3.360 -3.246 -5.138 376 HB VAL 49 HB VAL 49 -4.239 -5.929 -4.043 377 1HG1 VAL 49 1HG1 VAL 49 -2.771 -4.693 -2.100 378 2HG1 VAL 49 2HG1 VAL 49 -1.937 -4.185 -3.568 379 3HG1 VAL 49 3HG1 VAL 49 -2.151 -5.901 -3.225 380 1HG2 VAL 49 1HG2 VAL 49 -4.553 -3.370 -2.537 381 2HG2 VAL 49 2HG2 VAL 49 -5.413 -4.898 -2.349 382 3HG2 VAL 49 3HG2 VAL 49 -5.779 -3.843 -3.715 383 H PHE 50 H PHE 50 -1.463 -3.585 -6.097 384 HA PHE 50 HA PHE 50 -1.141 -5.978 -7.765 385 1HB PHE 50 2HB PHE 50 0.160 -3.261 -7.855 386 2HB PHE 50 1HB PHE 50 0.808 -4.631 -8.747 387 HD1 PHE 50 HD1 PHE 50 -2.278 -2.580 -8.344 388 HD2 PHE 50 HD2 PHE 50 0.004 -5.154 -10.853 389 HE1 PHE 50 HE1 PHE 50 -3.802 -2.105 -10.216 390 HE2 PHE 50 HE2 PHE 50 -1.518 -4.681 -12.726 391 HZ PHE 50 HZ PHE 50 -3.423 -3.155 -12.409 392 H SER 51 H SER 51 0.301 -4.235 -5.079 393 HA SER 51 HA SER 51 2.046 -6.532 -4.587 394 1HB SER 51 2HB SER 51 3.979 -5.045 -4.130 395 2HB SER 51 1HB SER 51 3.473 -4.998 -5.818 396 HG SER 51 HG SER 51 2.340 -3.055 -5.319 397 H LYS 52 H LYS 52 2.715 -6.811 -2.460 398 HA LYS 52 HA LYS 52 1.463 -5.048 -0.454 399 1HB LYS 52 1HB LYS 52 1.778 -8.037 -0.126 400 2HB LYS 52 2HB LYS 52 0.941 -6.936 0.943 401 1HG LYS 52 1HG LYS 52 -0.735 -6.526 -0.799 402 2HG LYS 52 2HG LYS 52 0.095 -7.679 -1.847 403 1HD LYS 52 1HD LYS 52 -0.281 -9.441 -0.164 404 2HD LYS 52 2HD LYS 52 -1.163 -8.280 0.830 405 1HE LYS 52 2HE LYS 52 -2.805 -7.987 -0.950 406 2HE LYS 52 1HE LYS 52 -1.918 -9.129 -1.965 407 1HZ LYS 52 1HZ LYS 52 -3.723 -10.275 -0.955 408 2HZ LYS 52 2HZ LYS 52 -3.315 -9.714 0.587 409 3HZ LYS 52 3HZ LYS 52 -2.306 -10.816 -0.204 410 H LEU 53 H LEU 53 3.037 -4.034 0.634 411 HA LEU 53 HA LEU 53 5.746 -4.957 0.614 412 1HB LEU 53 1HB LEU 53 4.505 -2.797 2.324 413 2HB LEU 53 2HB LEU 53 6.216 -3.014 1.996 414 HG LEU 53 HG LEU 53 4.203 -2.394 -0.165 415 1HD1 LEU 53 1HD2 LEU 53 5.994 -0.253 0.728 416 2HD1 LEU 53 2HD2 LEU 53 4.734 -0.698 1.881 417 3HD1 LEU 53 3HD2 LEU 53 4.298 -0.194 0.247 418 1HD2 LEU 53 1HD1 LEU 53 5.929 -2.814 -1.498 419 2HD2 LEU 53 2HD1 LEU 53 7.023 -2.993 -0.125 420 3HD2 LEU 53 3HD1 LEU 53 6.720 -1.396 -0.809 421 H LYS 54 H LYS 54 7.038 -5.633 2.394 422 HA LYS 54 HA LYS 54 5.531 -6.527 4.769 423 1HB LYS 54 2HB LYS 54 7.253 -8.184 2.984 424 2HB LYS 54 1HB LYS 54 7.224 -8.539 4.700 425 1HG LYS 54 2HG LYS 54 4.726 -8.681 4.533 426 2HG LYS 54 1HG LYS 54 4.915 -8.583 2.782 427 1HD LYS 54 1HD LYS 54 4.723 -10.893 3.417 428 2HD LYS 54 2HD LYS 54 6.369 -10.593 2.872 429 1HE LYS 54 1HE LYS 54 7.107 -10.436 5.199 430 2HE LYS 54 2HE LYS 54 5.457 -10.739 5.745 431 1HZ LYS 54 1HZ LYS 54 7.407 -12.616 5.189 432 2HZ LYS 54 2HZ LYS 54 6.281 -12.753 3.935 433 3HZ LYS 54 3HZ LYS 54 5.778 -12.908 5.542 434 H GLY 55 H GLY 55 8.736 -5.840 3.418 435 1HA GLY 55 1HA GLY 55 10.200 -5.977 5.815 436 2HA GLY 55 2HA GLY 55 10.672 -5.072 4.387 437 H ARG 56 H ARG 56 9.437 -4.926 7.567 438 HA ARG 56 HA ARG 56 8.952 -3.277 9.030 439 1HB ARG 56 1HB ARG 56 10.591 -1.625 7.108 440 2HB ARG 56 2HB ARG 56 10.099 -1.095 8.712 441 1HG ARG 56 2HG ARG 56 11.375 -2.864 9.737 442 2HG ARG 56 1HG ARG 56 11.787 -3.525 8.153 443 1HD ARG 56 2HD ARG 56 12.986 -1.479 7.604 444 2HD ARG 56 1HD ARG 56 12.557 -0.795 9.169 445 HE ARG 56 HE ARG 56 14.286 -1.958 10.093 446 1HH1 ARG 56 1HH1 ARG 56 13.555 -3.467 7.006 447 2HH1 ARG 56 2HH1 ARG 56 14.872 -4.586 7.114 448 1HH2 ARG 56 1HH2 ARG 56 16.004 -3.430 10.208 449 2HH2 ARG 56 2HH2 ARG 56 16.257 -4.565 8.923 450 H GLY 57 H GLY 57 7.217 -3.671 6.548 451 1HA GLY 57 1HA GLY 57 5.357 -1.555 7.165 452 2HA GLY 57 2HA GLY 57 6.027 -1.448 5.544 453 H ARG 58 H ARG 58 4.996 -4.197 7.551 454 HA ARG 58 HA ARG 58 3.825 -5.575 5.370 455 1HB ARG 58 1HB ARG 58 2.984 -7.145 7.087 456 2HB ARG 58 2HB ARG 58 4.699 -6.817 7.223 457 1HG ARG 58 1HG ARG 58 4.288 -5.287 9.058 458 2HG ARG 58 2HG ARG 58 2.562 -5.603 8.917 459 1HD ARG 58 2HD ARG 58 2.923 -7.945 9.415 460 2HD ARG 58 1HD ARG 58 4.662 -7.666 9.507 461 HE ARG 58 HE ARG 58 3.393 -5.955 11.322 462 1HH1 ARG 58 1HH1 ARG 58 3.979 -9.389 10.907 463 2HH1 ARG 58 2HH1 ARG 58 3.944 -9.716 12.605 464 1HH2 ARG 58 1HH2 ARG 58 3.350 -6.406 13.547 465 2HH2 ARG 58 2HH2 ARG 58 3.588 -8.031 14.099 466 H LEU 59 H LEU 59 2.612 -3.154 7.476 467 HA LEU 59 HA LEU 59 -0.175 -3.816 6.915 468 1HB LEU 59 2HB LEU 59 1.033 -1.596 8.574 469 2HB LEU 59 1HB LEU 59 -0.683 -1.910 8.415 470 HG LEU 59 HG LEU 59 1.262 -3.904 9.577 471 1HD1 LEU 59 1HD2 LEU 59 0.257 -3.196 11.770 472 2HD1 LEU 59 2HD2 LEU 59 -0.390 -1.787 10.930 473 3HD1 LEU 59 3HD2 LEU 59 1.353 -2.033 11.024 474 1HD2 LEU 59 1HD1 LEU 59 -1.242 -4.343 10.632 475 2HD2 LEU 59 2HD1 LEU 59 -0.491 -5.264 9.329 476 3HD2 LEU 59 3HD1 LEU 59 -1.581 -3.929 8.951 477 H PHE 60 H PHE 60 2.044 -2.625 5.052 478 HA PHE 60 HA PHE 60 0.346 -0.481 3.955 479 1HB PHE 60 2HB PHE 60 3.365 -0.652 3.972 480 2HB PHE 60 1HB PHE 60 2.460 0.502 3.001 481 HD1 PHE 60 HD1 PHE 60 1.545 2.468 3.958 482 HD2 PHE 60 HD2 PHE 60 3.318 -0.490 6.456 483 HE1 PHE 60 HE1 PHE 60 1.530 4.051 5.840 484 HE2 PHE 60 HE2 PHE 60 3.298 1.088 8.343 485 HZ PHE 60 HZ PHE 60 2.405 3.362 8.036 486 H TRP 61 H TRP 61 -0.413 -0.808 2.007 487 HA TRP 61 HA TRP 61 0.830 -2.874 0.317 488 1HB TRP 61 2HB TRP 61 -2.061 -2.037 0.610 489 2HB TRP 61 1HB TRP 61 -1.490 -3.035 -0.717 490 HD1 TRP 61 HD1 TRP 61 0.521 -4.525 1.736 491 HE1 TRP 61 HE1 TRP 61 -0.609 -6.471 2.964 492 HE3 TRP 61 HE3 TRP 61 -4.360 -3.528 0.542 493 HZ2 TRP 61 HZ2 TRP 61 -3.210 -7.451 3.397 494 HZ3 TRP 61 HZ3 TRP 61 -6.104 -5.027 1.415 495 HH2 TRP 61 HH2 TRP 61 -5.540 -6.944 2.814 496 H GLY 62 H GLY 62 -0.190 -2.443 -2.100 497 1HA GLY 62 2HA GLY 62 -0.151 0.363 -2.824 498 2HA GLY 62 1HA GLY 62 1.312 -0.541 -3.313 499 H GLY 63 H GLY 63 -0.726 0.767 -4.962 500 1HA GLY 63 1HA GLY 63 -0.933 -1.072 -7.040 501 2HA GLY 63 2HA GLY 63 -2.448 -1.134 -6.153 502 H SER 64 H SER 64 -3.634 -0.322 -7.886 503 HA SER 64 HA SER 64 -3.427 2.580 -8.225 504 1HB SER 64 2HB SER 64 -2.268 1.596 -10.165 505 2HB SER 64 1HB SER 64 -3.705 0.642 -10.537 506 HG SER 64 HG SER 64 -3.520 3.474 -10.521 507 H VAL 65 H VAL 65 -5.373 3.622 -8.619 508 HA VAL 65 HA VAL 65 -7.741 2.138 -7.846 509 HB VAL 65 HB VAL 65 -7.395 5.084 -8.463 510 1HG1 VAL 65 1HG2 VAL 65 -9.761 3.472 -7.631 511 2HG1 VAL 65 2HG2 VAL 65 -9.665 4.844 -8.739 512 3HG1 VAL 65 3HG2 VAL 65 -9.581 5.107 -6.994 513 1HG2 VAL 65 1HG1 VAL 65 -7.790 5.139 -5.885 514 2HG2 VAL 65 2HG1 VAL 65 -6.184 4.799 -6.530 515 3HG2 VAL 65 3HG1 VAL 65 -7.204 3.478 -5.958 516 H GLN 66 H GLN 66 -9.241 1.375 -9.187 517 HA GLN 66 HA GLN 66 -8.969 1.700 -12.020 518 1HB GLN 66 2HB GLN 66 -9.722 -0.439 -11.105 519 2HB GLN 66 1HB GLN 66 -11.126 0.332 -10.386 520 1HG GLN 66 2HG GLN 66 -11.993 0.858 -12.592 521 2HG GLN 66 1HG GLN 66 -10.566 0.138 -13.339 522 1HE2 GLN 66 1HE2 GLN 66 -10.947 -1.784 -14.141 523 2HE2 GLN 66 2HE2 GLN 66 -12.030 -2.969 -13.504 524 H GLY 67 H GLY 67 -11.978 2.107 -10.136 525 1HA GLY 67 1HA GLY 67 -13.794 3.493 -10.591 526 2HA GLY 67 2HA GLY 67 -12.593 4.683 -10.122 527 H ASP 68 H ASP 68 -14.009 3.002 -12.892 528 HA ASP 68 HA ASP 68 -14.452 3.638 -15.023 529 1HB ASP 68 2HB ASP 68 -13.822 6.402 -13.963 530 2HB ASP 68 1HB ASP 68 -14.397 6.095 -15.599 531 H TYR 69 H TYR 69 -12.859 2.487 -15.978 532 HA TYR 69 HA TYR 69 -10.154 3.435 -16.121 533 1HB TYR 69 2HB TYR 69 -10.743 1.021 -15.895 534 2HB TYR 69 1HB TYR 69 -11.431 1.068 -17.512 535 HD1 TYR 69 HD1 TYR 69 -8.195 2.075 -15.881 536 HD2 TYR 69 HD2 TYR 69 -10.119 0.146 -19.152 537 HE1 TYR 69 HE1 TYR 69 -6.002 1.517 -16.837 538 HE2 TYR 69 HE2 TYR 69 -7.930 -0.416 -20.113 539 HH TYR 69 HH TYR 69 -5.361 0.865 -19.721 540 H TYR 70 H TYR 70 -10.144 5.305 -17.262 541 HA TYR 70 HA TYR 70 -10.990 5.183 -20.077 542 1HB TYR 70 2HB TYR 70 -10.802 7.475 -18.144 543 2HB TYR 70 1HB TYR 70 -10.722 7.771 -19.876 544 HD1 TYR 70 HD1 TYR 70 -12.893 5.930 -17.421 545 HD2 TYR 70 HD2 TYR 70 -12.674 8.275 -20.966 546 HE1 TYR 70 HE1 TYR 70 -15.349 5.950 -17.555 547 HE2 TYR 70 HE2 TYR 70 -15.128 8.300 -21.106 548 HH TYR 70 HH TYR 70 -17.110 6.332 -19.034 549 H GLY 71 H GLY 71 -8.316 5.148 -18.060 550 1HA GLY 71 1HA GLY 71 -6.104 4.804 -18.761 551 2HA GLY 71 2HA GLY 71 -6.522 5.463 -20.334 552 H ASP 72 H ASP 72 -6.869 6.835 -17.064 553 HA ASP 72 HA ASP 72 -4.822 8.816 -17.633 554 1HB ASP 72 1HB ASP 72 -6.366 10.687 -17.044 555 2HB ASP 72 2HB ASP 72 -6.761 9.892 -18.559 556 H LEU 73 H LEU 73 -5.819 6.602 -15.615 557 HA LEU 73 HA LEU 73 -4.892 8.060 -13.255 558 1HB LEU 73 1HB LEU 73 -6.679 6.534 -12.018 559 2HB LEU 73 2HB LEU 73 -7.051 8.142 -12.601 560 HG LEU 73 HG LEU 73 -7.967 7.035 -14.702 561 1HD1 LEU 73 1HD2 LEU 73 -7.739 4.850 -14.984 562 2HD1 LEU 73 2HD2 LEU 73 -8.686 4.564 -13.524 563 3HD1 LEU 73 3HD2 LEU 73 -6.932 4.717 -13.420 564 1HD2 LEU 73 1HD1 LEU 73 -9.228 7.866 -12.596 565 2HD2 LEU 73 2HD1 LEU 73 -9.487 6.148 -12.289 566 3HD2 LEU 73 3HD1 LEU 73 -10.076 6.876 -13.784 567 H ALA 74 H ALA 74 -4.969 5.163 -15.095 568 HA ALA 74 HA ALA 74 -3.538 3.692 -12.992 569 1HB ALA 74 1HB ALA 74 -5.573 2.735 -14.304 570 2HB ALA 74 2HB ALA 74 -4.175 1.704 -13.986 571 3HB ALA 74 3HB ALA 74 -4.384 2.442 -15.574 572 H ALA 75 H ALA 75 -2.262 5.829 -14.311 573 HA ALA 75 HA ALA 75 -0.387 4.616 -16.197 574 1HB ALA 75 1HB ALA 75 0.258 6.795 -16.786 575 2HB ALA 75 2HB ALA 75 -0.399 7.480 -15.298 576 3HB ALA 75 3HB ALA 75 -1.488 6.886 -16.553 577 H ARG 76 H ARG 76 -0.645 5.310 -12.885 578 HA ARG 76 HA ARG 76 2.185 4.715 -12.510 579 1HB ARG 76 1HB ARG 76 2.556 6.506 -10.943 580 2HB ARG 76 2HB ARG 76 1.978 7.190 -12.450 581 1HG ARG 76 2HG ARG 76 0.131 6.681 -10.141 582 2HG ARG 76 1HG ARG 76 1.073 8.161 -10.276 583 1HD ARG 76 2HD ARG 76 0.024 8.512 -12.527 584 2HD ARG 76 1HD ARG 76 -1.024 7.139 -12.182 585 HE ARG 76 HE ARG 76 -1.305 9.795 -11.195 586 1HH1 ARG 76 1HH1 ARG 76 -1.937 6.440 -10.368 587 2HH1 ARG 76 2HH1 ARG 76 -3.204 6.836 -9.258 588 1HH2 ARG 76 1HH2 ARG 76 -2.968 10.287 -9.737 589 2HH2 ARG 76 2HH2 ARG 76 -3.788 9.009 -8.900 590 H LEU 77 H LEU 77 2.705 4.172 -10.238 591 HA LEU 77 HA LEU 77 0.409 2.900 -8.899 592 1HB LEU 77 1HB LEU 77 3.251 1.930 -9.188 593 2HB LEU 77 2HB LEU 77 2.098 1.213 -8.079 594 HG LEU 77 HG LEU 77 1.547 1.389 -11.038 595 1HD1 LEU 77 1HD1 LEU 77 2.835 -0.372 -11.512 596 2HD1 LEU 77 2HD1 LEU 77 2.401 -1.207 -10.021 597 3HD1 LEU 77 3HD1 LEU 77 3.679 0.008 -10.011 598 1HD2 LEU 77 1HD2 LEU 77 0.238 -0.743 -10.310 599 2HD2 LEU 77 2HD2 LEU 77 -0.433 0.855 -9.980 600 3HD2 LEU 77 3HD2 LEU 77 0.374 -0.046 -8.694 601 H GLY 78 H GLY 78 0.035 3.457 -6.863 602 1HA GLY 78 1HA GLY 78 2.192 4.818 -5.359 603 2HA GLY 78 2HA GLY 78 0.523 5.371 -5.319 604 H TYR 79 H TYR 79 1.673 4.890 -2.938 605 HA TYR 79 HA TYR 79 0.764 2.206 -2.151 606 1HB TYR 79 2HB TYR 79 2.569 4.100 -0.630 607 2HB TYR 79 1HB TYR 79 2.134 2.465 -0.138 608 HD1 TYR 79 HD1 TYR 79 4.848 4.054 -0.959 609 HD2 TYR 79 HD2 TYR 79 2.497 0.952 -2.678 610 HE1 TYR 79 HE1 TYR 79 6.831 3.216 -2.134 611 HE2 TYR 79 HE2 TYR 79 4.473 0.103 -3.867 612 HH TYR 79 HH TYR 79 6.681 1.027 -4.667 613 H PHE 80 H PHE 80 -0.415 1.939 -0.197 614 HA PHE 80 HA PHE 80 -1.672 4.233 1.035 615 1HB PHE 80 2HB PHE 80 -3.989 3.373 0.554 616 2HB PHE 80 1HB PHE 80 -3.142 3.993 -0.859 617 HD1 PHE 80 HD1 PHE 80 -4.316 0.919 0.832 618 HD2 PHE 80 HD2 PHE 80 -2.652 2.592 -2.714 619 HE1 PHE 80 HE1 PHE 80 -4.777 -1.176 -0.370 620 HE2 PHE 80 HE2 PHE 80 -3.111 0.499 -3.917 621 HZ PHE 80 HZ PHE 80 -4.174 -1.388 -2.748 622 HA PRO 81 HA PRO 81 -1.674 1.411 4.489 623 1HB PRO 81 2HB PRO 81 -4.058 2.622 5.654 624 2HB PRO 81 1HB PRO 81 -2.384 2.717 6.203 625 1HG PRO 81 2HG PRO 81 -3.704 4.843 5.174 626 2HG PRO 81 1HG PRO 81 -1.954 4.619 4.988 627 1HD PRO 81 2HD PRO 81 -4.157 4.049 3.032 628 2HD PRO 81 1HD PRO 81 -2.576 4.817 2.756 629 H SER 82 H SER 82 -2.438 -0.595 4.831 630 HA SER 82 HA SER 82 -4.564 -1.652 3.301 631 1HB SER 82 2HB SER 82 -4.163 -3.729 4.532 632 2HB SER 82 1HB SER 82 -2.631 -2.984 4.082 633 HG SER 82 HG SER 82 -2.839 -1.991 6.309 634 H SER 83 H SER 83 -4.470 -0.149 6.393 635 HA SER 83 HA SER 83 -6.759 -1.278 7.581 636 1HB SER 83 1HB SER 83 -5.059 -0.068 8.860 637 2HB SER 83 2HB SER 83 -5.497 1.431 8.041 638 HG SER 83 HG SER 83 -6.502 1.217 10.096 639 H ILE 84 H ILE 84 -6.487 1.117 5.055 640 HA ILE 84 HA ILE 84 -9.188 2.083 5.586 641 HB ILE 84 HB ILE 84 -8.905 3.744 3.927 642 1HG1 ILE 84 1HG1 ILE 84 -6.216 2.570 3.202 643 2HG1 ILE 84 2HG1 ILE 84 -7.690 2.262 2.285 644 1HG2 ILE 84 1HG2 ILE 84 -7.012 4.971 4.792 645 2HG2 ILE 84 2HG2 ILE 84 -6.330 3.491 5.467 646 3HG2 ILE 84 3HG2 ILE 84 -7.847 4.133 6.099 647 1HD1 ILE 84 1HD1 ILE 84 -5.927 4.534 2.221 648 2HD1 ILE 84 2HD1 ILE 84 -7.601 5.005 2.515 649 3HD1 ILE 84 3HD1 ILE 84 -7.192 4.048 1.092 650 H VAL 85 H VAL 85 -7.881 -0.507 3.918 651 HA VAL 85 HA VAL 85 -10.197 -0.522 2.084 652 HB VAL 85 HB VAL 85 -8.957 -1.879 0.503 653 1HG1 VAL 85 1HG1 VAL 85 -8.680 0.751 0.785 654 2HG1 VAL 85 2HG1 VAL 85 -7.859 -0.162 -0.482 655 3HG1 VAL 85 3HG1 VAL 85 -6.993 0.280 0.989 656 1HG2 VAL 85 1HG2 VAL 85 -6.821 -1.835 2.602 657 2HG2 VAL 85 2HG2 VAL 85 -6.405 -2.052 0.901 658 3HG2 VAL 85 3HG2 VAL 85 -7.476 -3.206 1.701 659 H ARG 86 H ARG 86 -10.830 -2.750 1.366 660 HA ARG 86 HA ARG 86 -10.431 -4.804 3.407 661 1HB ARG 86 2HB ARG 86 -12.481 -3.528 4.008 662 2HB ARG 86 1HB ARG 86 -13.176 -3.985 2.459 663 1HG ARG 86 2HG ARG 86 -13.299 -6.251 3.058 664 2HG ARG 86 1HG ARG 86 -12.226 -6.026 4.442 665 1HD ARG 86 1HD ARG 86 -14.493 -6.243 5.220 666 2HD ARG 86 2HD ARG 86 -13.923 -4.595 5.485 667 HE ARG 86 HE ARG 86 -15.240 -4.677 3.022 668 1HH1 ARG 86 1HH1 ARG 86 -16.018 -4.985 6.428 669 2HH1 ARG 86 2HH1 ARG 86 -17.634 -4.397 6.230 670 1HH2 ARG 86 1HH2 ARG 86 -17.362 -3.907 2.783 671 2HH2 ARG 86 2HH2 ARG 86 -18.395 -3.788 4.168 672 H GLU 87 H GLU 87 -9.775 -6.546 2.387 673 HA GLU 87 HA GLU 87 -10.073 -6.943 -0.421 674 1HB GLU 87 1HB GLU 87 -8.749 -8.297 1.827 675 2HB GLU 87 2HB GLU 87 -9.288 -9.377 0.546 676 1HG GLU 87 2HG GLU 87 -8.042 -7.966 -1.072 677 2HG GLU 87 1HG GLU 87 -7.398 -7.060 0.295 678 H ASP 88 H ASP 88 -11.587 -8.042 -1.518 679 HA ASP 88 HA ASP 88 -13.552 -9.591 0.037 680 1HB ASP 88 1HB ASP 88 -14.031 -7.858 -2.393 681 2HB ASP 88 2HB ASP 88 -15.240 -8.906 -1.660 682 H GLN 89 H GLN 89 -11.837 -9.292 -3.054 683 HA GLN 89 HA GLN 89 -12.134 -12.196 -3.402 684 1HB GLN 89 2HB GLN 89 -13.988 -10.988 -4.629 685 2HB GLN 89 1HB GLN 89 -12.751 -10.279 -5.653 686 1HG GLN 89 2HG GLN 89 -12.366 -13.097 -5.599 687 2HG GLN 89 1HG GLN 89 -14.065 -12.763 -5.934 688 1HE2 GLN 89 1HE2 GLN 89 -11.253 -13.369 -7.372 689 2HE2 GLN 89 2HE2 GLN 89 -11.445 -12.508 -8.856 690 H THR 90 H THR 90 -10.480 -13.199 -4.499 691 HA THR 90 HA THR 90 -8.133 -11.536 -5.132 692 HB THR 90 HB THR 90 -8.295 -14.511 -4.586 693 HG1 THR 90 HG1 THR 90 -7.224 -12.505 -2.912 694 1HG2 THR 90 1HG2 THR 90 -6.151 -14.738 -5.093 695 2HG2 THR 90 2HG2 THR 90 -5.717 -13.328 -4.126 696 3HG2 THR 90 3HG2 THR 90 -6.216 -13.127 -5.805 697 H LEU 91 H LEU 91 -7.675 -11.217 -7.207 698 HA LEU 91 HA LEU 91 -9.069 -12.696 -9.275 699 1HB LEU 91 1HB LEU 91 -7.001 -10.550 -9.695 700 2HB LEU 91 2HB LEU 91 -8.296 -11.026 -10.774 701 HG LEU 91 HG LEU 91 -8.804 -9.714 -8.106 702 1HD1 LEU 91 1HD2 LEU 91 -7.974 -8.547 -10.684 703 2HD1 LEU 91 2HD2 LEU 91 -7.760 -7.948 -9.039 704 3HD1 LEU 91 3HD2 LEU 91 -9.312 -7.754 -9.853 705 1HD2 LEU 91 1HD1 LEU 91 -10.887 -9.023 -9.568 706 2HD2 LEU 91 2HD1 LEU 91 -10.828 -10.564 -8.708 707 3HD2 LEU 91 3HD1 LEU 91 -10.468 -10.502 -10.434 708 H LYS 92 H LYS 92 -5.833 -12.390 -8.005 709 HA LYS 92 HA LYS 92 -4.995 -14.775 -9.417 710 1HB LYS 92 2HB LYS 92 -4.500 -12.906 -11.001 711 2HB LYS 92 1HB LYS 92 -3.455 -12.188 -9.789 712 1HG LYS 92 2HG LYS 92 -1.791 -13.320 -10.735 713 2HG LYS 92 1HG LYS 92 -2.488 -14.766 -10.010 714 1HD LYS 92 2HD LYS 92 -3.197 -13.731 -12.760 715 2HD LYS 92 1HD LYS 92 -1.993 -14.976 -12.448 716 1HE LYS 92 2HE LYS 92 -3.710 -16.405 -11.452 717 2HE LYS 92 1HE LYS 92 -4.923 -15.161 -11.751 718 1HZ LYS 92 1HZ LYS 92 -3.556 -16.921 -13.663 719 2HZ LYS 92 2HZ LYS 92 -4.083 -15.403 -14.187 720 3HZ LYS 92 3HZ LYS 92 -5.195 -16.513 -13.561 721 HA PRO 93 HA PRO 93 -3.120 -15.350 -5.367 722 1HB PRO 93 2HB PRO 93 -1.347 -17.201 -6.876 723 2HB PRO 93 1HB PRO 93 -2.273 -17.492 -5.410 724 1HG PRO 93 2HG PRO 93 -3.140 -18.496 -7.665 725 2HG PRO 93 1HG PRO 93 -4.296 -17.677 -6.591 726 1HD PRO 93 2HD PRO 93 -2.910 -16.617 -9.030 727 2HD PRO 93 1HD PRO 93 -4.631 -16.532 -8.613 728 H GLY 94 H GLY 94 -1.733 -14.029 -4.427 729 1HA GLY 94 1HA GLY 94 0.655 -13.120 -5.884 730 2HA GLY 94 2HA GLY 94 -0.047 -12.340 -4.470 731 H LYS 95 H LYS 95 1.985 -14.894 -5.630 732 HA LYS 95 HA LYS 95 2.928 -15.354 -2.892 733 1HB LYS 95 1HB LYS 95 3.372 -17.764 -3.733 734 2HB LYS 95 2HB LYS 95 1.742 -17.301 -3.260 735 1HG LYS 95 2HG LYS 95 1.169 -16.928 -5.605 736 2HG LYS 95 1HG LYS 95 2.799 -17.417 -6.074 737 1HD LYS 95 2HD LYS 95 2.389 -19.631 -5.054 738 2HD LYS 95 1HD LYS 95 0.740 -19.125 -4.677 739 1HE LYS 95 2HE LYS 95 0.294 -18.807 -7.061 740 2HE LYS 95 1HE LYS 95 1.941 -19.310 -7.439 741 1HZ LYS 95 1HZ LYS 95 1.332 -21.446 -6.229 742 2HZ LYS 95 2HZ LYS 95 0.652 -21.206 -7.759 743 3HZ LYS 95 3HZ LYS 95 -0.278 -20.943 -6.372 744 H VAL 96 H VAL 96 3.998 -13.662 -5.121 745 HA VAL 96 HA VAL 96 6.667 -14.916 -5.323 746 HB VAL 96 HB VAL 96 5.449 -12.936 -7.268 747 1HG1 VAL 96 1HG1 VAL 96 7.733 -14.327 -8.284 748 2HG1 VAL 96 2HG1 VAL 96 8.155 -13.561 -6.752 749 3HG1 VAL 96 3HG1 VAL 96 7.495 -12.592 -8.071 750 1HG2 VAL 96 1HG2 VAL 96 4.862 -14.637 -8.643 751 2HG2 VAL 96 2HG2 VAL 96 4.770 -15.529 -7.124 752 3HG2 VAL 96 3HG2 VAL 96 6.208 -15.658 -8.137 753 H ASP 97 H ASP 97 8.189 -13.929 -4.175 754 HA ASP 97 HA ASP 97 7.693 -11.257 -3.094 755 1HB ASP 97 2HB ASP 97 8.393 -13.162 -1.625 756 2HB ASP 97 1HB ASP 97 9.935 -13.191 -2.465 757 H VAL 98 H VAL 98 8.231 -9.683 -4.421 758 HA VAL 98 HA VAL 98 10.808 -9.764 -5.848 759 HB VAL 98 HB VAL 98 8.761 -7.631 -6.388 760 1HG1 VAL 98 1HG1 VAL 98 11.200 -8.390 -7.514 761 2HG1 VAL 98 2HG1 VAL 98 10.056 -7.205 -8.145 762 3HG1 VAL 98 3HG1 VAL 98 9.976 -8.883 -8.684 763 1HG2 VAL 98 1HG2 VAL 98 8.262 -10.471 -6.771 764 2HG2 VAL 98 2HG2 VAL 98 8.151 -9.552 -8.273 765 3HG2 VAL 98 3HG2 VAL 98 7.158 -9.100 -6.886 766 H LYS 99 H LYS 99 11.617 -7.240 -6.057 767 HA LYS 99 HA LYS 99 11.351 -5.994 -3.404 768 1HB LYS 99 2HB LYS 99 13.753 -5.549 -3.309 769 2HB LYS 99 1HB LYS 99 13.443 -7.274 -3.398 770 1HG LYS 99 2HG LYS 99 14.060 -5.744 -5.882 771 2HG LYS 99 1HG LYS 99 15.355 -6.231 -4.792 772 1HD LYS 99 2HD LYS 99 14.643 -8.571 -5.004 773 2HD LYS 99 1HD LYS 99 13.353 -8.076 -6.100 774 1HE LYS 99 2HE LYS 99 16.307 -7.696 -6.581 775 2HE LYS 99 1HE LYS 99 15.310 -8.959 -7.300 776 1HZ LYS 99 1HZ LYS 99 15.326 -6.071 -7.850 777 2HZ LYS 99 2HZ LYS 99 13.908 -6.954 -8.112 778 3HZ LYS 99 3HZ LYS 99 15.326 -7.369 -8.935 779 H THR 100 H THR 100 12.234 -3.705 -3.398 780 HA THR 100 HA THR 100 11.319 -2.342 -5.818 781 HB THR 100 HB THR 100 11.348 -0.295 -4.417 782 HG1 THR 100 HG1 THR 100 12.785 -0.503 -2.864 783 1HG2 THR 100 1HG2 THR 100 9.538 -0.793 -2.949 784 2HG2 THR 100 2HG2 THR 100 9.928 -2.514 -2.969 785 3HG2 THR 100 3HG2 THR 100 9.325 -1.729 -4.429 786 H ASP 101 H ASP 101 12.547 -0.259 -6.366 787 HA ASP 101 HA ASP 101 15.445 -0.726 -6.181 788 1HB ASP 101 2HB ASP 101 15.617 0.217 -8.506 789 2HB ASP 101 1HB ASP 101 14.807 -1.340 -8.405 790 H LYS 102 H LYS 102 16.496 1.480 -7.259 791 HA LYS 102 HA LYS 102 16.165 3.438 -5.262 792 1HB LYS 102 1HB LYS 102 18.290 2.955 -6.423 793 2HB LYS 102 2HB LYS 102 17.604 3.633 -7.887 794 1HG LYS 102 1HG LYS 102 17.297 5.774 -6.632 795 2HG LYS 102 2HG LYS 102 18.286 5.069 -5.354 796 1HD LYS 102 2HD LYS 102 20.167 5.461 -6.489 797 2HD LYS 102 1HD LYS 102 19.504 4.742 -7.960 798 1HE LYS 102 2HE LYS 102 18.351 6.820 -8.467 799 2HE LYS 102 1HE LYS 102 18.987 7.549 -6.992 800 1HZ LYS 102 1HZ LYS 102 21.095 7.680 -7.860 801 2HZ LYS 102 2HZ LYS 102 20.168 7.952 -9.249 802 3HZ LYS 102 3HZ LYS 102 20.851 6.428 -8.974 803 H TRP 103 H TRP 103 15.070 3.233 -8.610 804 HA TRP 103 HA TRP 103 13.978 5.921 -8.533 805 1HB TRP 103 2HB TRP 103 13.806 3.872 -10.754 806 2HB TRP 103 1HB TRP 103 13.454 5.590 -10.884 807 HD1 TRP 103 HD1 TRP 103 16.387 3.147 -10.639 808 HE1 TRP 103 HE1 TRP 103 18.551 4.371 -11.296 809 HE3 TRP 103 HE3 TRP 103 14.558 7.913 -10.982 810 HZ2 TRP 103 HZ2 TRP 103 19.378 6.999 -11.875 811 HZ3 TRP 103 HZ3 TRP 103 16.108 9.726 -11.594 812 HH2 TRP 103 HH2 TRP 103 18.467 9.277 -12.032 813 H ASP 104 H ASP 104 12.745 4.514 -6.606 814 HA ASP 104 HA ASP 104 10.025 4.137 -7.663 815 1HB ASP 104 2HB ASP 104 11.532 2.457 -5.681 816 2HB ASP 104 1HB ASP 104 9.778 2.540 -5.607 817 H PHE 105 H PHE 105 12.109 5.618 -5.387 818 HA PHE 105 HA PHE 105 9.796 6.819 -4.002 819 1HB PHE 105 2HB PHE 105 12.530 6.364 -2.780 820 2HB PHE 105 1HB PHE 105 11.096 6.969 -1.964 821 HD1 PHE 105 HD1 PHE 105 12.743 3.992 -3.337 822 HD2 PHE 105 HD2 PHE 105 9.365 5.473 -1.209 823 HE1 PHE 105 HE1 PHE 105 12.164 1.699 -2.668 824 HE2 PHE 105 HE2 PHE 105 8.783 3.177 -0.537 825 HZ PHE 105 HZ PHE 105 10.184 1.291 -1.264 826 H TYR 106 H TYR 106 12.612 7.294 -5.837 827 HA TYR 106 HA TYR 106 13.027 10.066 -5.053 828 1HB TYR 106 2HB TYR 106 14.919 8.500 -5.532 829 2HB TYR 106 1HB TYR 106 14.379 8.401 -7.198 830 HD1 TYR 106 HD1 TYR 106 16.035 9.333 -8.482 831 HD2 TYR 106 HD2 TYR 106 14.827 11.393 -4.954 832 HE1 TYR 106 HE1 TYR 106 17.515 11.204 -9.071 833 HE2 TYR 106 HE2 TYR 106 16.292 13.273 -5.549 834 HH TYR 106 HH TYR 106 18.690 13.252 -7.290 835 H CYS 107 H CYS 107 11.702 11.578 -5.875 836 HA CYS 107 HA CYS 107 10.760 11.271 -8.655 837 1HB CYS 107 1HB CYS 107 9.340 12.724 -6.423 838 2HB CYS 107 2HB CYS 107 8.737 12.432 -8.046 839 H GLN 108 HN GLN 108 13.174 12.603 -7.821 840 HA GLN 108 HA GLN 108 12.548 15.355 -8.634 841 1HB GLN 108 2HB GLN 108 13.313 15.360 -6.352 842 2HB GLN 108 1HB GLN 108 14.681 14.337 -6.752 843 1HG GLN 108 2HG GLN 108 15.700 16.097 -8.005 844 2HG GLN 108 1HG GLN 108 14.289 17.130 -7.777 845 1HE2 GLN 108 1HE2 GLN 108 17.339 16.609 -6.762 846 2HE2 GLN 108 2HE2 GLN 108 17.249 17.264 -5.166 Start of MODEL 19 1 1H MET 1 1HT MET 1 6.582 16.621 -3.561 2 2H MET 1 2HT MET 1 8.022 17.203 -2.893 3 3H MET 1 3HT MET 1 7.270 15.843 -2.226 4 HA MET 1 HA MET 1 7.887 14.455 -3.916 5 1HB MET 1 2HB MET 1 8.642 15.324 -6.127 6 2HB MET 1 1HB MET 1 6.991 15.767 -5.727 7 1HG MET 1 1HG MET 1 7.754 18.003 -5.078 8 2HG MET 1 2HG MET 1 9.405 17.554 -5.505 9 1HE MET 1 1HE MET 1 7.907 20.132 -6.670 10 2HE MET 1 2HE MET 1 8.396 20.050 -8.362 11 3HE MET 1 3HE MET 1 9.562 19.692 -7.089 12 H GLY 2 H GLY 2 9.938 13.606 -4.358 13 1HA GLY 2 2HA GLY 2 12.393 14.371 -4.595 14 2HA GLY 2 1HA GLY 2 12.126 15.031 -2.989 15 HA PRO 3 HA PRO 3 13.622 10.525 -2.804 16 1HB PRO 3 2HB PRO 3 15.858 11.536 -1.227 17 2HB PRO 3 1HB PRO 3 15.865 10.536 -2.674 18 1HG PRO 3 1HG PRO 3 16.698 13.105 -2.651 19 2HG PRO 3 2HG PRO 3 16.046 12.291 -4.078 20 1HD PRO 3 1HD PRO 3 14.759 14.260 -2.266 21 2HD PRO 3 2HD PRO 3 14.559 14.007 -4.006 22 H MET 4 H MET 4 13.402 9.208 -1.035 23 HA MET 4 HA MET 4 13.151 10.277 1.643 24 1HB MET 4 2HB MET 4 10.800 9.409 1.871 25 2HB MET 4 1HB MET 4 10.954 10.808 0.819 26 1HG MET 4 2HG MET 4 11.224 8.652 -0.898 27 2HG MET 4 1HG MET 4 9.974 8.145 0.238 28 1HE MET 4 1HE MET 4 7.155 9.988 0.021 29 2HE MET 4 2HE MET 4 8.063 11.456 0.384 30 3HE MET 4 3HE MET 4 8.484 9.939 1.179 31 HA PRO 5 HA PRO 5 14.422 6.222 3.049 32 1HB PRO 5 2HB PRO 5 11.813 5.897 4.469 33 2HB PRO 5 1HB PRO 5 13.455 5.644 5.068 34 1HG PRO 5 1HG PRO 5 12.128 7.826 5.747 35 2HG PRO 5 2HG PRO 5 13.847 7.930 5.315 36 1HD PRO 5 1HD PRO 5 11.438 8.683 3.714 37 2HD PRO 5 2HD PRO 5 13.017 9.482 3.820 38 H LYS 6 H LYS 6 14.087 3.958 2.749 39 HA LYS 6 HA LYS 6 12.750 3.318 0.366 40 1HB LYS 6 2HB LYS 6 14.053 1.612 2.469 41 2HB LYS 6 1HB LYS 6 13.283 0.911 1.054 42 1HG LYS 6 1HG LYS 6 15.472 1.049 0.367 43 2HG LYS 6 2HG LYS 6 14.808 2.546 -0.271 44 1HD LYS 6 1HD LYS 6 16.910 3.077 0.699 45 2HD LYS 6 2HD LYS 6 15.668 3.708 1.777 46 1HE LYS 6 2HE LYS 6 17.433 2.661 3.066 47 2HE LYS 6 1HE LYS 6 15.941 1.735 3.222 48 1HZ LYS 6 1HZ LYS 6 17.904 0.983 1.165 49 2HZ LYS 6 2HZ LYS 6 16.771 0.017 1.969 50 3HZ LYS 6 3HZ LYS 6 18.168 0.525 2.773 51 H LEU 7 H LEU 7 11.719 3.091 3.693 52 HA LEU 7 HA LEU 7 9.676 2.765 4.637 53 1HB LEU 7 2HB LEU 7 8.728 3.883 2.618 54 2HB LEU 7 1HB LEU 7 8.596 2.318 1.847 55 HG LEU 7 HG LEU 7 7.079 1.678 3.830 56 1HD1 LEU 7 1HD1 LEU 7 6.051 4.307 4.188 57 2HD1 LEU 7 2HD1 LEU 7 7.765 4.311 4.605 58 3HD1 LEU 7 3HD1 LEU 7 6.666 3.185 5.402 59 1HD2 LEU 7 1HD2 LEU 7 5.680 3.750 2.290 60 2HD2 LEU 7 2HD2 LEU 7 5.333 2.030 2.463 61 3HD2 LEU 7 3HD2 LEU 7 6.572 2.571 1.330 62 H ALA 8 H ALA 8 10.728 0.430 2.224 63 HA ALA 8 HA ALA 8 10.289 -1.754 4.050 64 1HB ALA 8 1HB ALA 8 8.493 -2.719 3.119 65 2HB ALA 8 2HB ALA 8 9.099 -2.454 1.484 66 3HB ALA 8 3HB ALA 8 8.216 -1.174 2.315 67 H ASP 9 H ASP 9 10.632 -3.880 2.270 68 HA ASP 9 HA ASP 9 13.132 -3.222 0.859 69 1HB ASP 9 2HB ASP 9 13.509 -4.314 3.117 70 2HB ASP 9 1HB ASP 9 12.726 -5.750 2.468 71 H ARG 10 H ARG 10 10.709 -5.808 1.320 72 HA ARG 10 HA ARG 10 10.807 -6.307 -1.587 73 1HB ARG 10 2HB ARG 10 10.465 -8.332 0.624 74 2HB ARG 10 1HB ARG 10 10.306 -8.688 -1.085 75 1HG ARG 10 2HG ARG 10 12.554 -8.565 -1.451 76 2HG ARG 10 1HG ARG 10 12.823 -7.446 -0.112 77 1HD ARG 10 1HD ARG 10 13.747 -9.552 0.503 78 2HD ARG 10 2HD ARG 10 12.294 -9.304 1.457 79 HE ARG 10 HE ARG 10 11.351 -11.128 0.450 80 1HH1 ARG 10 1HH1 ARG 10 14.211 -10.239 -1.378 81 2HH1 ARG 10 2HH1 ARG 10 14.132 -11.638 -2.396 82 1HH2 ARG 10 1HH2 ARG 10 11.270 -12.954 -0.891 83 2HH2 ARG 10 2HH2 ARG 10 12.471 -13.172 -2.121 84 H LYS 11 H LYS 11 8.834 -7.329 -2.442 85 HA LYS 11 HA LYS 11 6.384 -6.611 -0.988 86 1HB LYS 11 2HB LYS 11 5.454 -5.781 -3.152 87 2HB LYS 11 1HB LYS 11 6.803 -4.821 -2.557 88 1HG LYS 11 1HG LYS 11 8.256 -6.295 -4.076 89 2HG LYS 11 2HG LYS 11 6.736 -6.751 -4.844 90 1HD LYS 11 2HD LYS 11 6.319 -4.558 -5.557 91 2HD LYS 11 1HD LYS 11 7.537 -3.888 -4.467 92 1HE LYS 11 2HE LYS 11 9.289 -5.051 -5.751 93 2HE LYS 11 1HE LYS 11 8.053 -5.634 -6.871 94 1HZ LYS 11 1HZ LYS 11 8.129 -2.761 -6.423 95 2HZ LYS 11 2HZ LYS 11 7.860 -3.627 -7.850 96 3HZ LYS 11 3HZ LYS 11 9.436 -3.414 -7.276 97 H LEU 12 H LEU 12 4.415 -7.602 -2.039 98 HA LEU 12 HA LEU 12 5.046 -10.307 -3.017 99 1HB LEU 12 2HB LEU 12 2.654 -9.338 -1.450 100 2HB LEU 12 1HB LEU 12 2.797 -10.943 -2.134 101 HG LEU 12 HG LEU 12 4.707 -9.842 -0.071 102 1HD1 LEU 12 1HD1 LEU 12 2.087 -11.234 0.195 103 2HD1 LEU 12 2HD1 LEU 12 2.786 -9.949 1.178 104 3HD1 LEU 12 3HD1 LEU 12 3.373 -11.603 1.343 105 1HD2 LEU 12 1HD2 LEU 12 4.302 -12.515 -1.367 106 2HD2 LEU 12 2HD2 LEU 12 5.020 -12.387 0.239 107 3HD2 LEU 12 3HD2 LEU 12 5.794 -11.602 -1.138 108 H CYS 13 H CYS 13 4.592 -10.658 -5.050 109 HA CYS 13 HA CYS 13 2.388 -9.177 -6.331 110 1HB CYS 13 2HB CYS 13 4.995 -10.081 -7.574 111 2HB CYS 13 1HB CYS 13 3.673 -9.311 -8.440 112 H ALA 14 H ALA 14 1.682 -10.328 -8.414 113 HA ALA 14 HA ALA 14 1.054 -13.084 -7.733 114 1HB ALA 14 1HB ALA 14 -0.864 -12.056 -8.481 115 2HB ALA 14 2HB ALA 14 -0.293 -12.806 -9.972 116 3HB ALA 14 3HB ALA 14 -0.008 -11.089 -9.681 117 H ASP 15 H ASP 15 2.899 -11.239 -10.051 118 HA ASP 15 HA ASP 15 4.115 -13.718 -11.051 119 1HB ASP 15 2HB ASP 15 3.137 -11.387 -12.707 120 2HB ASP 15 1HB ASP 15 4.300 -12.560 -13.312 121 H GLN 16 H GLN 16 6.202 -13.159 -12.294 122 HA GLN 16 HA GLN 16 7.947 -11.785 -10.527 123 1HB GLN 16 2HB GLN 16 8.525 -13.754 -11.999 124 2HB GLN 16 1HB GLN 16 8.531 -12.649 -13.365 125 1HG GLN 16 2HG GLN 16 10.342 -11.375 -12.330 126 2HG GLN 16 1HG GLN 16 10.336 -12.484 -10.959 127 1HE2 GLN 16 1HE2 GLN 16 11.884 -11.749 -13.730 128 2HE2 GLN 16 2HE2 GLN 16 12.578 -13.285 -14.108 129 H GLU 17 H GLU 17 6.023 -10.733 -13.151 130 HA GLU 17 HA GLU 17 7.633 -8.383 -13.730 131 1HB GLU 17 2HB GLU 17 5.003 -9.377 -14.834 132 2HB GLU 17 1HB GLU 17 5.710 -7.842 -15.300 133 1HG GLU 17 1HG GLU 17 6.395 -9.227 -17.001 134 2HG GLU 17 2HG GLU 17 7.786 -9.258 -15.924 135 H CYS 18 H CYS 18 5.117 -9.271 -11.594 136 HA CYS 18 HA CYS 18 3.753 -8.150 -10.164 137 1HB CYS 18 1HB CYS 18 5.860 -6.008 -10.543 138 2HB CYS 18 2HB CYS 18 4.546 -5.874 -9.381 139 H SER 19 H SER 19 3.304 -8.043 -13.027 140 HA SER 19 HA SER 19 2.006 -5.476 -13.468 141 1HB SER 19 2HB SER 19 3.444 -6.312 -15.237 142 2HB SER 19 1HB SER 19 2.513 -7.796 -15.307 143 HG SER 19 HG SER 19 1.404 -6.758 -16.763 144 H HIS 20 H HIS 20 1.232 -8.480 -12.248 145 HA HIS 20 HA HIS 20 -1.542 -8.425 -13.183 146 1HB HIS 20 2HB HIS 20 0.240 -10.503 -12.030 147 2HB HIS 20 1HB HIS 20 -1.469 -10.622 -11.643 148 HD1 HIS 20 HD1 HIS 20 -1.083 -12.923 -12.996 149 HD2 HIS 20 HD2 HIS 20 -1.086 -9.437 -15.255 150 HE1 HIS 20 HE1 HIS 20 -1.564 -13.655 -15.338 151 HE2 HIS 20 HE2 HIS 20 -1.426 -11.544 -16.720 152 HA PRO 21 HA PRO 21 -2.847 -6.994 -9.145 153 1HB PRO 21 1HB PRO 21 -5.540 -7.223 -9.519 154 2HB PRO 21 2HB PRO 21 -4.562 -5.951 -10.257 155 1HG PRO 21 1HG PRO 21 -5.892 -8.203 -11.523 156 2HG PRO 21 2HG PRO 21 -5.126 -6.797 -12.275 157 1HD PRO 21 1HD PRO 21 -4.074 -9.502 -11.908 158 2HD PRO 21 2HD PRO 21 -3.463 -8.182 -12.930 159 H ILE 22 H ILE 22 -2.611 -8.181 -7.337 160 HA ILE 22 HA ILE 22 -3.265 -10.930 -7.177 161 HB ILE 22 HB ILE 22 -2.623 -9.024 -4.912 162 1HG1 ILE 22 2HG1 ILE 22 -0.431 -10.526 -5.083 163 2HG1 ILE 22 1HG1 ILE 22 -0.952 -10.669 -6.761 164 1HG2 ILE 22 1HG2 ILE 22 -3.067 -10.666 -3.484 165 2HG2 ILE 22 2HG2 ILE 22 -1.917 -11.713 -4.312 166 3HG2 ILE 22 3HG2 ILE 22 -3.607 -11.687 -4.818 167 1HD1 ILE 22 1HD1 ILE 22 0.424 -8.532 -5.473 168 2HD1 ILE 22 2HD1 ILE 22 -1.113 -7.944 -6.107 169 3HD1 ILE 22 3HD1 ILE 22 0.036 -8.744 -7.181 170 H SER 23 H SER 23 -4.620 -8.246 -5.233 171 HA SER 23 HA SER 23 -7.204 -9.635 -5.337 172 1HB SER 23 2HB SER 23 -7.496 -8.975 -2.905 173 2HB SER 23 1HB SER 23 -6.303 -10.236 -3.220 174 HG SER 23 HG SER 23 -5.618 -7.498 -3.014 175 H MET 24 H MET 24 -9.016 -8.432 -5.321 176 HA MET 24 HA MET 24 -8.734 -5.569 -5.878 177 1HB MET 24 1HB MET 24 -9.950 -7.230 -7.426 178 2HB MET 24 2HB MET 24 -11.210 -7.266 -6.203 179 1HG MET 24 2HG MET 24 -11.221 -4.696 -6.475 180 2HG MET 24 1HG MET 24 -10.369 -5.025 -7.981 181 1HE MET 24 1HE MET 24 -13.124 -6.972 -6.076 182 2HE MET 24 2HE MET 24 -14.563 -6.718 -7.064 183 3HE MET 24 3HE MET 24 -13.906 -5.391 -6.106 184 H ALA 25 H ALA 25 -9.265 -4.144 -4.300 185 HA ALA 25 HA ALA 25 -11.052 -5.078 -2.146 186 1HB ALA 25 1HB ALA 25 -9.177 -4.827 -0.927 187 2HB ALA 25 2HB ALA 25 -9.691 -3.140 -0.909 188 3HB ALA 25 3HB ALA 25 -8.463 -3.673 -2.055 189 H VAL 26 H VAL 26 -12.275 -3.486 -1.021 190 HA VAL 26 HA VAL 26 -13.083 -1.229 -2.750 191 HB VAL 26 HB VAL 26 -14.722 -2.576 -0.580 192 1HG1 VAL 26 1HG2 VAL 26 -15.456 -0.516 -2.661 193 2HG1 VAL 26 2HG2 VAL 26 -15.398 -0.281 -0.914 194 3HG1 VAL 26 3HG2 VAL 26 -16.610 -1.350 -1.620 195 1HG2 VAL 26 1HG1 VAL 26 -14.986 -2.857 -3.572 196 2HG2 VAL 26 2HG1 VAL 26 -15.991 -3.631 -2.348 197 3HG2 VAL 26 3HG1 VAL 26 -14.290 -4.071 -2.499 198 H ALA 27 H ALA 27 -13.005 0.826 -1.955 199 HA ALA 27 HA ALA 27 -11.554 1.287 0.491 200 1HB ALA 27 1HB ALA 27 -11.535 2.594 -1.788 201 2HB ALA 27 2HB ALA 27 -11.236 3.419 -0.258 202 3HB ALA 27 3HB ALA 27 -12.828 3.510 -1.014 203 H LEU 28 H LEU 28 -12.261 2.119 2.399 204 HA LEU 28 HA LEU 28 -15.166 2.205 2.785 205 1HB LEU 28 2HB LEU 28 -12.881 1.851 4.714 206 2HB LEU 28 1HB LEU 28 -14.507 2.190 5.259 207 HG LEU 28 HG LEU 28 -14.127 -0.148 5.494 208 1HD1 LEU 28 1HD1 LEU 28 -16.306 0.753 4.358 209 2HD1 LEU 28 2HD1 LEU 28 -16.018 -0.978 4.520 210 3HD1 LEU 28 3HD1 LEU 28 -15.715 -0.175 2.980 211 1HD2 LEU 28 1HD2 LEU 28 -13.760 -0.935 2.741 212 2HD2 LEU 28 2HD2 LEU 28 -12.851 -1.391 4.182 213 3HD2 LEU 28 3HD2 LEU 28 -12.446 0.092 3.316 214 H GLN 29 H GLN 29 -12.389 4.283 2.787 215 HA GLN 29 HA GLN 29 -14.117 6.552 3.359 216 1HB GLN 29 1HB GLN 29 -12.541 7.484 5.048 217 2HB GLN 29 2HB GLN 29 -13.380 6.034 5.581 218 1HG GLN 29 2HG GLN 29 -11.420 4.697 5.189 219 2HG GLN 29 1HG GLN 29 -10.574 6.073 4.493 220 1HE2 GLN 29 1HE2 GLN 29 -12.194 7.492 6.913 221 2HE2 GLN 29 2HE2 GLN 29 -11.060 7.310 8.196 222 H ASP 30 H ASP 30 -12.645 8.644 3.382 223 HA ASP 30 HA ASP 30 -11.370 8.718 0.790 224 1HB ASP 30 1HB ASP 30 -11.869 10.903 2.823 225 2HB ASP 30 2HB ASP 30 -11.250 11.159 1.194 226 H TYR 31 H TYR 31 -9.280 9.552 0.388 227 HA TYR 31 HA TYR 31 -7.389 9.806 2.571 228 1HB TYR 31 2HB TYR 31 -7.495 7.329 1.976 229 2HB TYR 31 1HB TYR 31 -6.873 7.768 0.393 230 HD1 TYR 31 HD1 TYR 31 -4.590 7.743 0.035 231 HD2 TYR 31 HD2 TYR 31 -6.024 8.173 4.020 232 HE1 TYR 31 HE1 TYR 31 -2.283 7.625 0.872 233 HE2 TYR 31 HE2 TYR 31 -3.719 8.054 4.868 234 HH TYR 31 HH TYR 31 -1.059 8.492 3.031 235 H MET 32 H MET 32 -6.532 11.753 2.030 236 HA MET 32 HA MET 32 -6.046 12.368 -0.782 237 1HB MET 32 2HB MET 32 -6.100 14.011 1.728 238 2HB MET 32 1HB MET 32 -5.312 14.628 0.284 239 1HG MET 32 2HG MET 32 -7.567 15.461 0.435 240 2HG MET 32 1HG MET 32 -7.402 14.405 -0.959 241 1HE MET 32 1HE MET 32 -9.745 13.556 2.893 242 2HE MET 32 2HE MET 32 -8.503 14.784 2.649 243 3HE MET 32 3HE MET 32 -8.042 13.101 2.905 244 H ALA 33 H ALA 33 -4.163 11.966 -1.680 245 HA ALA 33 HA ALA 33 -1.908 11.090 -0.175 246 1HB ALA 33 1HB ALA 33 -0.813 11.257 -2.528 247 2HB ALA 33 2HB ALA 33 -2.467 11.531 -3.070 248 3HB ALA 33 3HB ALA 33 -2.054 10.044 -2.216 249 HA PRO 34 HA PRO 34 -0.242 15.271 0.321 250 1HB PRO 34 2HB PRO 34 1.860 14.083 1.931 251 2HB PRO 34 1HB PRO 34 0.545 15.143 2.441 252 1HG PRO 34 2HG PRO 34 0.707 12.530 3.156 253 2HG PRO 34 1HG PRO 34 -0.836 13.386 2.963 254 1HD PRO 34 2HD PRO 34 0.559 11.540 1.054 255 2HD PRO 34 1HD PRO 34 -1.159 11.614 1.498 256 H ASP 35 H ASP 35 2.220 12.681 0.291 257 HA ASP 35 HA ASP 35 3.883 14.264 -1.496 258 1HB ASP 35 2HB ASP 35 4.767 13.112 0.584 259 2HB ASP 35 1HB ASP 35 4.536 11.588 -0.260 260 H CYS 36 H CYS 36 5.026 13.134 -3.244 261 HA CYS 36 HA CYS 36 3.321 12.226 -5.236 262 1HB CYS 36 2HB CYS 36 5.392 13.296 -5.768 263 2HB CYS 36 1HB CYS 36 6.315 12.065 -4.917 264 H ARG 37 H ARG 37 5.314 10.321 -2.975 265 HA ARG 37 HA ARG 37 5.029 7.876 -4.370 266 1HB ARG 37 2HB ARG 37 6.079 6.822 -2.552 267 2HB ARG 37 1HB ARG 37 6.776 8.431 -2.624 268 1HG ARG 37 2HG ARG 37 6.285 8.710 -0.489 269 2HG ARG 37 1HG ARG 37 4.568 8.578 -0.874 270 1HD ARG 37 2HD ARG 37 5.094 6.951 0.813 271 2HD ARG 37 1HD ARG 37 4.786 6.106 -0.703 272 HE ARG 37 HE ARG 37 6.934 5.352 -0.687 273 1HH1 ARG 37 1HH1 ARG 37 6.707 7.969 1.636 274 2HH1 ARG 37 2HH1 ARG 37 8.325 7.749 2.210 275 1HH2 ARG 37 1HH2 ARG 37 9.043 5.077 0.086 276 2HH2 ARG 37 2HH2 ARG 37 9.643 6.114 1.336 277 H PHE 38 H PHE 38 2.746 9.536 -2.378 278 HA PHE 38 HA PHE 38 1.279 7.065 -1.817 279 1HB PHE 38 2HB PHE 38 0.637 9.904 -0.997 280 2HB PHE 38 1HB PHE 38 -0.246 8.472 -0.491 281 HD1 PHE 38 HD1 PHE 38 2.588 10.600 0.124 282 HD2 PHE 38 HD2 PHE 38 0.910 6.778 0.974 283 HE1 PHE 38 HE1 PHE 38 4.085 10.374 2.062 284 HE2 PHE 38 HE2 PHE 38 2.403 6.552 2.913 285 HZ PHE 38 HZ PHE 38 3.992 8.350 3.461 286 H LEU 39 H LEU 39 -1.097 7.032 -2.200 287 HA LEU 39 HA LEU 39 -1.800 8.351 -4.748 288 1HB LEU 39 1HB LEU 39 -1.549 5.604 -4.226 289 2HB LEU 39 2HB LEU 39 -3.273 5.905 -4.253 290 HG LEU 39 HG LEU 39 -1.366 6.605 -6.494 291 1HD1 LEU 39 1HD1 LEU 39 -1.780 4.139 -5.990 292 2HD1 LEU 39 2HD1 LEU 39 -2.103 4.696 -7.632 293 3HD1 LEU 39 3HD1 LEU 39 -3.438 4.435 -6.510 294 1HD2 LEU 39 1HD2 LEU 39 -3.333 8.063 -6.412 295 2HD2 LEU 39 2HD2 LEU 39 -4.381 6.643 -6.404 296 3HD2 LEU 39 3HD2 LEU 39 -3.374 6.990 -7.811 297 H THR 40 H THR 40 -3.874 9.187 -4.952 298 HA THR 40 HA THR 40 -5.329 9.558 -2.455 299 HB THR 40 HB THR 40 -5.844 10.799 -5.171 300 HG1 THR 40 HG1 THR 40 -4.640 12.489 -4.470 301 1HG2 THR 40 1HG2 THR 40 -7.755 10.879 -3.544 302 2HG2 THR 40 2HG2 THR 40 -7.151 12.446 -4.083 303 3HG2 THR 40 3HG2 THR 40 -6.717 11.835 -2.485 304 H ILE 41 H ILE 41 -7.091 8.499 -1.920 305 HA ILE 41 HA ILE 41 -8.637 7.078 -3.988 306 HB ILE 41 HB ILE 41 -7.804 6.101 -1.241 307 1HG1 ILE 41 1HG1 ILE 41 -7.555 4.694 -3.900 308 2HG1 ILE 41 2HG1 ILE 41 -6.324 5.824 -3.330 309 1HG2 ILE 41 1HG2 ILE 41 -9.895 5.216 -1.162 310 2HG2 ILE 41 2HG2 ILE 41 -9.160 3.995 -2.202 311 3HG2 ILE 41 3HG2 ILE 41 -10.117 5.297 -2.910 312 1HD1 ILE 41 1HD1 ILE 41 -6.991 3.104 -2.370 313 2HD1 ILE 41 2HD1 ILE 41 -6.421 4.277 -1.184 314 3HD1 ILE 41 3HD1 ILE 41 -5.422 3.880 -2.584 315 H HIS 42 H HIS 42 -10.868 7.089 -3.761 316 HA HIS 42 HA HIS 42 -11.941 8.944 -1.752 317 1HB HIS 42 2HB HIS 42 -13.000 8.076 -4.446 318 2HB HIS 42 1HB HIS 42 -13.960 8.992 -3.289 319 HD1 HIS 42 HD1 HIS 42 -12.493 11.291 -2.458 320 HD2 HIS 42 HD2 HIS 42 -11.855 9.713 -6.250 321 HE1 HIS 42 HE1 HIS 42 -11.491 13.163 -3.805 322 HE2 HIS 42 HE2 HIS 42 -11.119 12.188 -6.100 323 H ARG 43 H ARG 43 -14.105 8.419 -0.891 324 HA ARG 43 HA ARG 43 -14.150 5.833 0.248 325 1HB ARG 43 2HB ARG 43 -15.082 7.888 1.311 326 2HB ARG 43 1HB ARG 43 -16.387 7.869 0.136 327 1HG ARG 43 1HG ARG 43 -17.133 5.714 1.001 328 2HG ARG 43 2HG ARG 43 -15.810 5.729 2.173 329 1HD ARG 43 2HD ARG 43 -16.723 7.831 3.106 330 2HD ARG 43 1HD ARG 43 -18.088 7.698 1.996 331 HE ARG 43 HE ARG 43 -17.871 5.320 3.456 332 1HH1 ARG 43 1HH1 ARG 43 -18.743 8.676 3.973 333 2HH1 ARG 43 2HH1 ARG 43 -19.798 8.317 5.297 334 1HH2 ARG 43 1HH2 ARG 43 -19.259 4.868 5.195 335 2HH2 ARG 43 2HH2 ARG 43 -20.091 6.163 5.989 336 H GLY 44 H GLY 44 -14.707 4.001 -0.729 337 1HA GLY 44 1HA GLY 44 -16.278 2.553 -1.717 338 2HA GLY 44 2HA GLY 44 -17.114 3.943 -2.386 339 H GLN 45 H GLN 45 -13.768 4.159 -2.922 340 HA GLN 45 HA GLN 45 -14.151 3.653 -5.736 341 1HB GLN 45 2HB GLN 45 -12.180 5.032 -4.080 342 2HB GLN 45 1HB GLN 45 -11.447 4.127 -5.394 343 1HG GLN 45 1HG GLN 45 -13.268 5.288 -6.842 344 2HG GLN 45 2HG GLN 45 -13.353 6.423 -5.497 345 1HE2 GLN 45 1HE2 GLN 45 -12.051 5.994 -8.419 346 2HE2 GLN 45 2HE2 GLN 45 -10.607 6.927 -8.265 347 H VAL 46 H VAL 46 -13.199 2.094 -6.976 348 HA VAL 46 HA VAL 46 -12.468 -0.359 -5.613 349 HB VAL 46 HB VAL 46 -12.392 0.088 -8.598 350 1HG1 VAL 46 1HG1 VAL 46 -13.254 -2.421 -8.287 351 2HG1 VAL 46 2HG1 VAL 46 -12.350 -2.246 -6.782 352 3HG1 VAL 46 3HG1 VAL 46 -11.543 -1.991 -8.331 353 1HG2 VAL 46 1HG2 VAL 46 -14.835 -1.163 -7.696 354 2HG2 VAL 46 2HG2 VAL 46 -14.604 0.205 -8.787 355 3HG2 VAL 46 3HG2 VAL 46 -14.671 0.467 -7.044 356 H VAL 47 H VAL 47 -10.408 -0.894 -5.145 357 HA VAL 47 HA VAL 47 -8.269 0.391 -6.716 358 HB VAL 47 HB VAL 47 -7.978 -0.335 -3.801 359 1HG1 VAL 47 1HG1 VAL 47 -6.389 1.734 -5.251 360 2HG1 VAL 47 2HG1 VAL 47 -6.006 0.027 -5.471 361 3HG1 VAL 47 3HG1 VAL 47 -5.946 0.744 -3.861 362 1HG2 VAL 47 1HG2 VAL 47 -8.233 2.074 -3.304 363 2HG2 VAL 47 2HG2 VAL 47 -9.719 1.337 -3.904 364 3HG2 VAL 47 3HG2 VAL 47 -8.738 2.340 -4.974 365 H TYR 48 H TYR 48 -6.994 -0.962 -7.747 366 HA TYR 48 HA TYR 48 -7.027 -3.807 -7.109 367 1HB TYR 48 2HB TYR 48 -5.950 -2.227 -9.447 368 2HB TYR 48 1HB TYR 48 -5.567 -3.921 -9.225 369 HD1 TYR 48 HD1 TYR 48 -6.519 -4.784 -11.175 370 HD2 TYR 48 HD2 TYR 48 -8.932 -2.386 -8.609 371 HE1 TYR 48 HE1 TYR 48 -8.513 -5.413 -12.464 372 HE2 TYR 48 HE2 TYR 48 -10.925 -3.013 -9.897 373 HH TYR 48 HH TYR 48 -11.315 -5.425 -11.634 374 H VAL 49 H VAL 49 -5.440 -4.768 -5.976 375 HA VAL 49 HA VAL 49 -3.077 -3.209 -5.265 376 HB VAL 49 HB VAL 49 -3.906 -5.944 -4.261 377 1HG1 VAL 49 1HG1 VAL 49 -1.879 -5.977 -3.340 378 2HG1 VAL 49 2HG1 VAL 49 -2.393 -4.628 -2.328 379 3HG1 VAL 49 3HG1 VAL 49 -1.551 -4.320 -3.846 380 1HG2 VAL 49 1HG2 VAL 49 -5.595 -4.765 -3.337 381 2HG2 VAL 49 2HG2 VAL 49 -4.760 -3.222 -3.514 382 3HG2 VAL 49 3HG2 VAL 49 -4.352 -4.297 -2.178 383 H PHE 50 H PHE 50 -1.183 -3.441 -6.255 384 HA PHE 50 HA PHE 50 -0.764 -5.795 -7.960 385 1HB PHE 50 1HB PHE 50 0.346 -2.998 -8.097 386 2HB PHE 50 2HB PHE 50 1.066 -4.328 -8.997 387 HD1 PHE 50 HD1 PHE 50 -2.114 -2.448 -8.544 388 HD2 PHE 50 HD2 PHE 50 0.211 -4.981 -11.056 389 HE1 PHE 50 HE1 PHE 50 -3.723 -2.108 -10.372 390 HE2 PHE 50 HE2 PHE 50 -1.397 -4.642 -12.888 391 HZ PHE 50 HZ PHE 50 -3.365 -3.203 -12.547 392 H SER 51 H SER 51 0.421 -4.216 -5.128 393 HA SER 51 HA SER 51 2.322 -6.344 -4.699 394 1HB SER 51 2HB SER 51 4.259 -4.839 -4.334 395 2HB SER 51 1HB SER 51 3.725 -4.859 -6.013 396 HG SER 51 HG SER 51 2.530 -2.908 -5.485 397 H LYS 52 H LYS 52 2.723 -6.734 -2.584 398 HA LYS 52 HA LYS 52 1.600 -4.822 -0.623 399 1HB LYS 52 2HB LYS 52 1.862 -7.801 -0.199 400 2HB LYS 52 1HB LYS 52 0.982 -6.653 0.789 401 1HG LYS 52 1HG LYS 52 -0.650 -6.326 -0.950 402 2HG LYS 52 2HG LYS 52 0.266 -7.365 -2.046 403 1HD LYS 52 1HD LYS 52 -0.086 -9.258 -0.520 404 2HD LYS 52 2HD LYS 52 -1.025 -8.212 0.549 405 1HE LYS 52 2HE LYS 52 -2.646 -7.834 -1.241 406 2HE LYS 52 1HE LYS 52 -1.705 -8.872 -2.317 407 1HZ LYS 52 1HZ LYS 52 -3.711 -9.866 -1.098 408 2HZ LYS 52 2HZ LYS 52 -2.707 -9.895 0.263 409 3HZ LYS 52 3HZ LYS 52 -2.273 -10.757 -1.126 410 H LEU 53 H LEU 53 3.231 -3.772 0.362 411 HA LEU 53 HA LEU 53 5.892 -4.808 0.442 412 1HB LEU 53 1HB LEU 53 4.764 -2.460 1.963 413 2HB LEU 53 2HB LEU 53 6.459 -2.786 1.647 414 HG LEU 53 HG LEU 53 4.431 -2.201 -0.516 415 1HD1 LEU 53 1HD2 LEU 53 6.467 -0.189 0.128 416 2HD1 LEU 53 2HD2 LEU 53 5.216 -0.408 1.353 417 3HD1 LEU 53 3HD2 LEU 53 4.767 0.006 -0.302 418 1HD2 LEU 53 1HD1 LEU 53 7.159 -3.107 -0.551 419 2HD2 LEU 53 2HD1 LEU 53 7.027 -1.522 -1.314 420 3HD2 LEU 53 3HD1 LEU 53 6.041 -2.865 -1.894 421 H LYS 54 H LYS 54 7.129 -5.497 2.148 422 HA LYS 54 HA LYS 54 5.782 -6.024 4.711 423 1HB LYS 54 2HB LYS 54 7.471 -8.003 3.165 424 2HB LYS 54 1HB LYS 54 6.932 -8.234 4.819 425 1HG LYS 54 2HG LYS 54 4.575 -8.066 3.967 426 2HG LYS 54 1HG LYS 54 5.248 -8.136 2.337 427 1HD LYS 54 2HD LYS 54 5.743 -10.222 4.460 428 2HD LYS 54 1HD LYS 54 4.478 -10.338 3.241 429 1HE LYS 54 2HE LYS 54 6.173 -10.269 1.473 430 2HE LYS 54 1HE LYS 54 7.439 -10.156 2.695 431 1HZ LYS 54 1HZ LYS 54 7.159 -12.419 1.866 432 2HZ LYS 54 2HZ LYS 54 5.553 -12.431 2.396 433 3HZ LYS 54 3HZ LYS 54 6.813 -12.324 3.519 434 H GLY 55 H GLY 55 7.535 -6.851 6.350 435 1HA GLY 55 2HA GLY 55 9.699 -6.676 7.253 436 2HA GLY 55 1HA GLY 55 10.151 -5.630 5.916 437 H ARG 56 H ARG 56 10.157 -3.486 6.200 438 HA ARG 56 HA ARG 56 9.816 -2.441 8.845 439 1HB ARG 56 1HB ARG 56 10.372 -0.985 6.252 440 2HB ARG 56 2HB ARG 56 10.530 -0.304 7.863 441 1HG ARG 56 2HG ARG 56 12.135 -2.648 6.865 442 2HG ARG 56 1HG ARG 56 12.679 -0.973 6.800 443 1HD ARG 56 2HD ARG 56 11.956 -2.486 9.308 444 2HD ARG 56 1HD ARG 56 13.593 -2.174 8.740 445 HE ARG 56 HE ARG 56 11.908 -0.384 10.178 446 1HH1 ARG 56 1HH1 ARG 56 14.472 -0.447 7.778 447 2HH1 ARG 56 2HH1 ARG 56 14.983 1.170 8.119 448 1HH2 ARG 56 1HH2 ARG 56 12.599 1.732 10.607 449 2HH2 ARG 56 2HH2 ARG 56 13.925 2.402 9.718 450 H GLY 57 H GLY 57 7.803 -2.745 6.090 451 1HA GLY 57 1HA GLY 57 5.683 -1.269 7.464 452 2HA GLY 57 2HA GLY 57 6.089 -0.780 5.824 453 H ARG 58 H ARG 58 5.276 -3.690 7.699 454 HA ARG 58 HA ARG 58 4.338 -5.123 5.421 455 1HB ARG 58 1HB ARG 58 3.570 -6.803 7.065 456 2HB ARG 58 2HB ARG 58 5.249 -6.350 7.287 457 1HG ARG 58 1HG ARG 58 4.700 -6.181 9.440 458 2HG ARG 58 2HG ARG 58 3.982 -4.641 8.975 459 1HD ARG 58 2HD ARG 58 2.401 -5.913 10.288 460 2HD ARG 58 1HD ARG 58 1.824 -5.761 8.629 461 HE ARG 58 HE ARG 58 3.253 -8.156 8.851 462 1HH1 ARG 58 1HH1 ARG 58 0.256 -6.759 10.020 463 2HH1 ARG 58 2HH1 ARG 58 -0.539 -8.290 10.157 464 1HH2 ARG 58 1HH2 ARG 58 2.193 -10.155 9.036 465 2HH2 ARG 58 2HH2 ARG 58 0.557 -10.212 9.601 466 H LEU 59 H LEU 59 2.977 -2.588 7.054 467 HA LEU 59 HA LEU 59 0.217 -3.493 6.642 468 1HB LEU 59 1HB LEU 59 1.238 -1.003 8.025 469 2HB LEU 59 2HB LEU 59 -0.441 -1.487 7.908 470 HG LEU 59 HG LEU 59 0.496 -3.668 9.134 471 1HD1 LEU 59 1HD2 LEU 59 2.814 -2.372 9.049 472 2HD1 LEU 59 2HD2 LEU 59 2.365 -3.400 10.411 473 3HD1 LEU 59 3HD2 LEU 59 2.171 -1.650 10.525 474 1HD2 LEU 59 1HD1 LEU 59 -0.209 -2.658 11.242 475 2HD2 LEU 59 2HD1 LEU 59 -1.301 -2.210 9.931 476 3HD2 LEU 59 3HD1 LEU 59 -0.105 -1.054 10.516 477 H PHE 60 H PHE 60 2.637 -1.870 5.033 478 HA PHE 60 HA PHE 60 0.836 -0.027 3.656 479 1HB PHE 60 2HB PHE 60 3.840 -0.307 3.646 480 2HB PHE 60 1HB PHE 60 2.983 0.751 2.534 481 HD1 PHE 60 HD1 PHE 60 2.329 2.894 3.181 482 HD2 PHE 60 HD2 PHE 60 3.589 0.110 6.147 483 HE1 PHE 60 HE1 PHE 60 2.352 4.693 4.857 484 HE2 PHE 60 HE2 PHE 60 3.609 1.906 7.828 485 HZ PHE 60 HZ PHE 60 2.990 4.201 7.185 486 H TRP 61 H TRP 61 0.043 -0.368 1.736 487 HA TRP 61 HA TRP 61 1.088 -2.590 0.111 488 1HB TRP 61 2HB TRP 61 -1.722 -1.607 0.574 489 2HB TRP 61 1HB TRP 61 -1.319 -2.535 -0.863 490 HD1 TRP 61 HD1 TRP 61 0.727 -4.056 1.745 491 HE1 TRP 61 HE1 TRP 61 -0.414 -6.119 2.755 492 HE3 TRP 61 HE3 TRP 61 -4.031 -3.308 0.003 493 HZ2 TRP 61 HZ2 TRP 61 -2.975 -7.276 2.832 494 HZ3 TRP 61 HZ3 TRP 61 -5.764 -4.946 0.603 495 HH2 TRP 61 HH2 TRP 61 -5.246 -6.887 1.987 496 H GLY 62 H GLY 62 0.124 -2.216 -2.295 497 1HA GLY 62 1HA GLY 62 0.195 0.550 -3.140 498 2HA GLY 62 2HA GLY 62 1.668 -0.373 -3.560 499 H GLY 63 H GLY 63 -0.142 0.840 -5.390 500 1HA GLY 63 2HA GLY 63 -0.334 -0.984 -7.402 501 2HA GLY 63 1HA GLY 63 -1.845 -1.176 -6.527 502 H SER 64 H SER 64 -3.174 -0.414 -8.119 503 HA SER 64 HA SER 64 -3.008 2.478 -8.637 504 1HB SER 64 2HB SER 64 -2.215 1.308 -10.650 505 2HB SER 64 1HB SER 64 -3.700 0.357 -10.688 506 HG SER 64 HG SER 64 -4.817 2.081 -11.330 507 H VAL 65 H VAL 65 -5.038 3.518 -8.997 508 HA VAL 65 HA VAL 65 -7.279 2.010 -7.850 509 HB VAL 65 HB VAL 65 -6.652 3.948 -6.528 510 1HG1 VAL 65 1HG1 VAL 65 -7.408 5.759 -8.802 511 2HG1 VAL 65 2HG1 VAL 65 -5.744 5.253 -8.509 512 3HG1 VAL 65 3HG1 VAL 65 -6.616 6.171 -7.281 513 1HG2 VAL 65 1HG2 VAL 65 -9.223 3.379 -7.440 514 2HG2 VAL 65 2HG2 VAL 65 -9.096 5.138 -7.480 515 3HG2 VAL 65 3HG2 VAL 65 -8.779 4.264 -5.981 516 H GLN 66 H GLN 66 -9.014 1.561 -8.980 517 HA GLN 66 HA GLN 66 -9.276 2.623 -11.699 518 1HB GLN 66 2HB GLN 66 -9.213 0.134 -11.295 519 2HB GLN 66 1HB GLN 66 -10.738 0.294 -10.437 520 1HG GLN 66 2HG GLN 66 -11.808 1.121 -12.459 521 2HG GLN 66 1HG GLN 66 -10.278 0.990 -13.329 522 1HE2 GLN 66 1HE2 GLN 66 -10.104 -0.747 -14.532 523 2HE2 GLN 66 2HE2 GLN 66 -10.866 -2.272 -14.251 524 H GLY 67 H GLY 67 -11.234 3.493 -12.451 525 1HA GLY 67 2HA GLY 67 -13.687 3.662 -11.297 526 2HA GLY 67 1HA GLY 67 -12.769 4.903 -10.455 527 H ASP 68 H ASP 68 -11.222 5.981 -12.362 528 HA ASP 68 HA ASP 68 -13.095 6.912 -14.438 529 1HB ASP 68 2HB ASP 68 -11.130 8.576 -12.846 530 2HB ASP 68 1HB ASP 68 -12.039 9.163 -14.234 531 H TYR 69 H TYR 69 -12.348 6.787 -16.464 532 HA TYR 69 HA TYR 69 -9.449 6.690 -16.914 533 1HB TYR 69 2HB TYR 69 -10.366 4.363 -16.860 534 2HB TYR 69 1HB TYR 69 -11.419 4.782 -18.205 535 HD1 TYR 69 HD1 TYR 69 -10.730 4.055 -20.276 536 HD2 TYR 69 HD2 TYR 69 -7.758 5.002 -17.379 537 HE1 TYR 69 HE1 TYR 69 -8.976 3.376 -21.859 538 HE2 TYR 69 HE2 TYR 69 -5.998 4.330 -18.958 539 HH TYR 69 HH TYR 69 -6.181 4.172 -21.962 540 H TYR 70 H TYR 70 -9.472 8.766 -17.728 541 HA TYR 70 HA TYR 70 -10.884 9.126 -20.285 542 1HB TYR 70 2HB TYR 70 -10.307 11.168 -18.138 543 2HB TYR 70 1HB TYR 70 -10.797 11.608 -19.767 544 HD1 TYR 70 HD1 TYR 70 -13.062 11.644 -20.376 545 HD2 TYR 70 HD2 TYR 70 -11.921 9.774 -16.726 546 HE1 TYR 70 HE1 TYR 70 -15.427 11.474 -19.728 547 HE2 TYR 70 HE2 TYR 70 -14.283 9.594 -16.074 548 HH TYR 70 HH TYR 70 -16.716 9.663 -17.929 549 H GLY 71 H GLY 71 -7.915 8.992 -18.691 550 1HA GLY 71 2HA GLY 71 -6.479 9.537 -21.133 551 2HA GLY 71 1HA GLY 71 -6.197 10.725 -19.869 552 H ASP 72 H ASP 72 -4.562 10.349 -18.542 553 HA ASP 72 HA ASP 72 -3.613 7.577 -18.219 554 1HB ASP 72 2HB ASP 72 -1.962 10.110 -18.390 555 2HB ASP 72 1HB ASP 72 -1.317 8.527 -17.967 556 H LEU 73 H LEU 73 -3.987 6.892 -16.230 557 HA LEU 73 HA LEU 73 -3.182 8.502 -13.970 558 1HB LEU 73 2HB LEU 73 -5.265 8.417 -12.764 559 2HB LEU 73 1HB LEU 73 -5.500 9.228 -14.289 560 HG LEU 73 HG LEU 73 -7.455 8.000 -13.935 561 1HD1 LEU 73 1HD1 LEU 73 -6.079 6.003 -15.665 562 2HD1 LEU 73 2HD1 LEU 73 -6.281 7.669 -16.208 563 3HD1 LEU 73 3HD1 LEU 73 -7.695 6.696 -15.804 564 1HD2 LEU 73 1HD2 LEU 73 -6.546 5.285 -13.674 565 2HD2 LEU 73 2HD2 LEU 73 -7.650 6.215 -12.660 566 3HD2 LEU 73 3HD2 LEU 73 -5.910 6.304 -12.383 567 H ALA 74 H ALA 74 -4.034 5.477 -15.384 568 HA ALA 74 HA ALA 74 -3.426 4.016 -12.926 569 1HB ALA 74 1HB ALA 74 -5.390 3.419 -14.427 570 2HB ALA 74 2HB ALA 74 -4.327 2.096 -13.938 571 3HB ALA 74 3HB ALA 74 -4.193 2.785 -15.558 572 H ALA 75 H ALA 75 -1.727 5.312 -15.442 573 HA ALA 75 HA ALA 75 0.094 3.206 -16.058 574 1HB ALA 75 1HB ALA 75 1.519 5.213 -16.859 575 2HB ALA 75 2HB ALA 75 0.071 6.163 -16.524 576 3HB ALA 75 3HB ALA 75 0.011 4.847 -17.696 577 H ARG 76 H ARG 76 0.044 5.854 -13.740 578 HA ARG 76 HA ARG 76 2.672 5.148 -12.710 579 1HB ARG 76 2HB ARG 76 2.343 7.078 -11.186 580 2HB ARG 76 1HB ARG 76 2.197 7.512 -12.882 581 1HG ARG 76 2HG ARG 76 -0.244 7.500 -12.671 582 2HG ARG 76 1HG ARG 76 -0.087 7.080 -10.965 583 1HD ARG 76 2HD ARG 76 0.997 9.580 -12.258 584 2HD ARG 76 1HD ARG 76 -0.488 9.486 -11.313 585 HE ARG 76 HE ARG 76 1.610 8.493 -9.753 586 1HH1 ARG 76 1HH1 ARG 76 0.570 11.550 -11.120 587 2HH1 ARG 76 2HH1 ARG 76 1.311 12.491 -9.872 588 1HH2 ARG 76 1HH2 ARG 76 2.575 9.745 -8.125 589 2HH2 ARG 76 2HH2 ARG 76 2.446 11.471 -8.177 590 H LEU 77 H LEU 77 3.040 4.522 -10.534 591 HA LEU 77 HA LEU 77 0.715 3.221 -9.277 592 1HB LEU 77 2HB LEU 77 3.607 2.368 -9.341 593 2HB LEU 77 1HB LEU 77 2.405 1.629 -8.302 594 HG LEU 77 HG LEU 77 2.139 1.701 -11.309 595 1HD1 LEU 77 1HD1 LEU 77 4.120 0.356 -9.985 596 2HD1 LEU 77 2HD1 LEU 77 3.445 -0.093 -11.552 597 3HD1 LEU 77 3HD1 LEU 77 2.837 -0.850 -10.080 598 1HD2 LEU 77 1HD2 LEU 77 0.747 -0.414 -10.603 599 2HD2 LEU 77 2HD2 LEU 77 0.042 1.199 -10.524 600 3HD2 LEU 77 3HD2 LEU 77 0.657 0.432 -9.057 601 H GLY 78 H GLY 78 0.258 3.614 -7.210 602 1HA GLY 78 1HA GLY 78 2.153 5.283 -5.666 603 2HA GLY 78 2HA GLY 78 0.417 5.551 -5.643 604 H TYR 79 H TYR 79 1.351 5.297 -3.232 605 HA TYR 79 HA TYR 79 0.854 2.492 -2.480 606 1HB TYR 79 2HB TYR 79 2.592 4.496 -1.020 607 2HB TYR 79 1HB TYR 79 2.261 2.849 -0.489 608 HD1 TYR 79 HD1 TYR 79 4.762 4.723 -1.729 609 HD2 TYR 79 HD2 TYR 79 2.682 1.154 -2.741 610 HE1 TYR 79 HE1 TYR 79 6.717 3.955 -2.999 611 HE2 TYR 79 HE2 TYR 79 4.626 0.372 -4.023 612 HH TYR 79 HH TYR 79 6.971 0.726 -4.201 613 H PHE 80 H PHE 80 -0.422 2.071 -0.690 614 HA PHE 80 HA PHE 80 -1.765 4.280 0.653 615 1HB PHE 80 2HB PHE 80 -4.018 3.280 0.143 616 2HB PHE 80 1HB PHE 80 -3.203 3.973 -1.256 617 HD1 PHE 80 HD1 PHE 80 -4.280 0.842 0.359 618 HD2 PHE 80 HD2 PHE 80 -2.495 2.595 -3.088 619 HE1 PHE 80 HE1 PHE 80 -4.564 -1.274 -0.861 620 HE2 PHE 80 HE2 PHE 80 -2.778 0.481 -4.310 621 HZ PHE 80 HZ PHE 80 -3.812 -1.455 -3.198 622 HA PRO 81 HA PRO 81 -1.596 1.366 4.030 623 1HB PRO 81 2HB PRO 81 -3.859 2.579 5.380 624 2HB PRO 81 1HB PRO 81 -2.143 2.711 5.768 625 1HG PRO 81 2HG PRO 81 -3.623 4.796 4.837 626 2HG PRO 81 1HG PRO 81 -1.881 4.633 4.546 627 1HD PRO 81 2HD PRO 81 -4.177 3.971 2.729 628 2HD PRO 81 1HD PRO 81 -2.647 4.799 2.356 629 H SER 82 H SER 82 -2.409 -0.608 4.467 630 HA SER 82 HA SER 82 -4.612 -1.633 3.027 631 1HB SER 82 2HB SER 82 -4.219 -3.702 4.285 632 2HB SER 82 1HB SER 82 -2.692 -3.006 3.750 633 HG SER 82 HG SER 82 -2.828 -3.735 6.013 634 H SER 83 H SER 83 -4.414 -0.004 6.030 635 HA SER 83 HA SER 83 -6.645 -1.078 7.371 636 1HB SER 83 1HB SER 83 -4.909 0.215 8.512 637 2HB SER 83 2HB SER 83 -5.389 1.660 7.624 638 HG SER 83 HG SER 83 -6.383 1.712 9.615 639 H ILE 84 H ILE 84 -6.476 1.201 4.724 640 HA ILE 84 HA ILE 84 -9.203 2.109 5.273 641 HB ILE 84 HB ILE 84 -8.952 3.698 3.457 642 1HG1 ILE 84 2HG1 ILE 84 -6.059 2.931 3.194 643 2HG1 ILE 84 1HG1 ILE 84 -7.285 2.155 2.190 644 1HG2 ILE 84 1HG2 ILE 84 -7.043 5.019 4.471 645 2HG2 ILE 84 2HG2 ILE 84 -6.792 3.642 5.543 646 3HG2 ILE 84 3HG2 ILE 84 -8.325 4.513 5.572 647 1HD1 ILE 84 1HD1 ILE 84 -6.064 4.753 1.942 648 2HD1 ILE 84 2HD1 ILE 84 -7.825 4.855 1.972 649 3HD1 ILE 84 3HD1 ILE 84 -7.022 3.835 0.779 650 H VAL 85 H VAL 85 -7.919 -0.516 3.750 651 HA VAL 85 HA VAL 85 -10.159 -0.582 1.828 652 HB VAL 85 HB VAL 85 -8.852 -2.018 0.352 653 1HG1 VAL 85 1HG1 VAL 85 -8.568 0.695 0.667 654 2HG1 VAL 85 2HG1 VAL 85 -8.031 -0.250 -0.722 655 3HG1 VAL 85 3HG1 VAL 85 -6.901 0.125 0.579 656 1HG2 VAL 85 1HG2 VAL 85 -6.294 -2.024 0.818 657 2HG2 VAL 85 2HG2 VAL 85 -7.329 -3.207 1.622 658 3HG2 VAL 85 3HG2 VAL 85 -6.782 -1.774 2.494 659 H ARG 86 H ARG 86 -11.095 -2.635 1.361 660 HA ARG 86 HA ARG 86 -10.695 -4.676 3.451 661 1HB ARG 86 2HB ARG 86 -12.770 -3.342 3.830 662 2HB ARG 86 1HB ARG 86 -13.361 -3.896 2.270 663 1HG ARG 86 1HG ARG 86 -13.728 -6.033 3.008 664 2HG ARG 86 2HG ARG 86 -12.507 -5.917 4.280 665 1HD ARG 86 2HD ARG 86 -13.948 -4.390 5.517 666 2HD ARG 86 1HD ARG 86 -15.177 -4.518 4.260 667 HE ARG 86 HE ARG 86 -15.853 -6.486 5.190 668 1HH1 ARG 86 1HH1 ARG 86 -12.616 -5.836 6.388 669 2HH1 ARG 86 2HH1 ARG 86 -12.611 -7.206 7.443 670 1HH2 ARG 86 1HH2 ARG 86 -15.822 -8.273 6.584 671 2HH2 ARG 86 2HH2 ARG 86 -14.421 -8.584 7.555 672 H GLU 87 H GLU 87 -10.018 -6.503 2.568 673 HA GLU 87 HA GLU 87 -10.379 -6.987 -0.269 674 1HB GLU 87 1HB GLU 87 -8.787 -8.405 1.858 675 2HB GLU 87 2HB GLU 87 -8.908 -8.992 0.207 676 1HG GLU 87 2HG GLU 87 -7.829 -6.298 0.995 677 2HG GLU 87 1HG GLU 87 -6.848 -7.725 0.673 678 H ASP 88 H ASP 88 -11.753 -8.325 -1.166 679 HA ASP 88 HA ASP 88 -12.986 -10.471 0.405 680 1HB ASP 88 1HB ASP 88 -14.510 -8.438 -1.246 681 2HB ASP 88 2HB ASP 88 -15.206 -9.932 -0.629 682 H GLN 89 H GLN 89 -11.883 -9.152 -2.595 683 HA GLN 89 HA GLN 89 -12.412 -11.728 -3.940 684 1HB GLN 89 2HB GLN 89 -13.856 -10.086 -4.891 685 2HB GLN 89 1HB GLN 89 -12.559 -8.915 -5.007 686 1HG GLN 89 1HG GLN 89 -13.225 -9.847 -7.175 687 2HG GLN 89 2HG GLN 89 -11.536 -10.142 -6.786 688 1HE2 GLN 89 1HE2 GLN 89 -10.976 -11.942 -7.671 689 2HE2 GLN 89 2HE2 GLN 89 -11.813 -13.444 -7.584 690 H THR 90 H THR 90 -10.794 -12.670 -5.089 691 HA THR 90 HA THR 90 -8.162 -11.328 -5.174 692 HB THR 90 HB THR 90 -8.635 -14.299 -4.829 693 HG1 THR 90 HG1 THR 90 -7.949 -12.340 -2.899 694 1HG2 THR 90 1HG2 THR 90 -6.479 -13.891 -5.790 695 2HG2 THR 90 2HG2 THR 90 -6.282 -14.339 -4.095 696 3HG2 THR 90 3HG2 THR 90 -6.134 -12.651 -4.583 697 H LEU 91 H LEU 91 -7.698 -10.877 -7.237 698 HA LEU 91 HA LEU 91 -9.028 -12.268 -9.400 699 1HB LEU 91 1HB LEU 91 -6.932 -10.142 -9.720 700 2HB LEU 91 2HB LEU 91 -8.254 -10.539 -10.798 701 HG LEU 91 HG LEU 91 -8.660 -9.314 -8.068 702 1HD1 LEU 91 1HD2 LEU 91 -7.398 -7.721 -9.272 703 2HD1 LEU 91 2HD2 LEU 91 -9.083 -7.209 -9.377 704 3HD1 LEU 91 3HD2 LEU 91 -8.315 -8.005 -10.751 705 1HD2 LEU 91 1HD1 LEU 91 -10.813 -8.578 -9.317 706 2HD2 LEU 91 2HD1 LEU 91 -10.696 -10.213 -8.663 707 3HD2 LEU 91 3HD1 LEU 91 -10.439 -9.933 -10.386 708 H LYS 92 H LYS 92 -6.054 -12.607 -7.802 709 HA LYS 92 HA LYS 92 -5.176 -14.739 -9.458 710 1HB LYS 92 2HB LYS 92 -4.584 -12.787 -10.933 711 2HB LYS 92 1HB LYS 92 -3.489 -12.230 -9.683 712 1HG LYS 92 2HG LYS 92 -1.906 -13.404 -10.701 713 2HG LYS 92 1HG LYS 92 -2.714 -14.853 -10.110 714 1HD LYS 92 1HD LYS 92 -3.390 -13.522 -12.726 715 2HD LYS 92 2HD LYS 92 -2.213 -14.822 -12.579 716 1HE LYS 92 2HE LYS 92 -3.953 -16.300 -11.687 717 2HE LYS 92 1HE LYS 92 -5.134 -15.000 -11.840 718 1HZ LYS 92 1HZ LYS 92 -3.736 -16.456 -14.003 719 2HZ LYS 92 2HZ LYS 92 -4.533 -14.990 -14.276 720 3HZ LYS 92 3HZ LYS 92 -5.401 -16.335 -13.730 721 HA PRO 93 HA PRO 93 -3.240 -15.699 -5.504 722 1HB PRO 93 1HB PRO 93 -1.406 -17.274 -7.256 723 2HB PRO 93 2HB PRO 93 -2.252 -17.776 -5.794 724 1HG PRO 93 2HG PRO 93 -3.153 -18.569 -8.123 725 2HG PRO 93 1HG PRO 93 -4.310 -17.937 -6.930 726 1HD PRO 93 1HD PRO 93 -3.097 -16.551 -9.306 727 2HD PRO 93 2HD PRO 93 -4.784 -16.584 -8.773 728 H GLY 94 H GLY 94 -1.832 -14.505 -4.396 729 1HA GLY 94 1HA GLY 94 0.466 -13.314 -5.801 730 2HA GLY 94 2HA GLY 94 -0.237 -12.719 -4.302 731 H LYS 95 H LYS 95 1.551 -15.384 -5.715 732 HA LYS 95 HA LYS 95 2.809 -15.862 -3.108 733 1HB LYS 95 2HB LYS 95 3.116 -18.266 -4.077 734 2HB LYS 95 1HB LYS 95 1.591 -17.793 -3.341 735 1HG LYS 95 2HG LYS 95 0.611 -17.414 -5.510 736 2HG LYS 95 1HG LYS 95 2.154 -17.752 -6.296 737 1HD LYS 95 2HD LYS 95 0.974 -19.745 -6.546 738 2HD LYS 95 1HD LYS 95 1.989 -20.053 -5.139 739 1HE LYS 95 2HE LYS 95 -0.871 -19.115 -4.956 740 2HE LYS 95 1HE LYS 95 -0.408 -20.814 -4.951 741 1HZ LYS 95 1HZ LYS 95 -0.027 -18.776 -2.884 742 2HZ LYS 95 2HZ LYS 95 1.135 -19.997 -3.013 743 3HZ LYS 95 3HZ LYS 95 -0.483 -20.399 -2.730 744 H VAL 96 H VAL 96 3.693 -14.126 -5.337 745 HA VAL 96 HA VAL 96 6.331 -15.375 -5.784 746 HB VAL 96 HB VAL 96 4.913 -13.558 -7.756 747 1HG1 VAL 96 1HG1 VAL 96 7.575 -14.968 -7.889 748 2HG1 VAL 96 2HG1 VAL 96 7.285 -13.229 -7.889 749 3HG1 VAL 96 3HG1 VAL 96 6.787 -14.205 -9.270 750 1HG2 VAL 96 1HG2 VAL 96 3.920 -15.817 -7.650 751 2HG2 VAL 96 2HG2 VAL 96 5.504 -16.507 -8.000 752 3HG2 VAL 96 3HG2 VAL 96 4.702 -15.490 -9.197 753 H ASP 97 H ASP 97 7.542 -14.338 -4.303 754 HA ASP 97 HA ASP 97 7.158 -11.531 -3.722 755 1HB ASP 97 2HB ASP 97 7.714 -13.306 -1.998 756 2HB ASP 97 1HB ASP 97 9.339 -13.338 -2.671 757 H VAL 98 H VAL 98 8.233 -9.881 -4.537 758 HA VAL 98 HA VAL 98 10.779 -10.334 -5.963 759 HB VAL 98 HB VAL 98 8.647 -8.356 -6.844 760 1HG1 VAL 98 1HG1 VAL 98 10.925 -7.708 -7.442 761 2HG1 VAL 98 2HG1 VAL 98 9.995 -8.149 -8.874 762 3HG1 VAL 98 3HG1 VAL 98 11.178 -9.275 -8.209 763 1HG2 VAL 98 1HG2 VAL 98 8.868 -11.193 -7.371 764 2HG2 VAL 98 2HG2 VAL 98 8.947 -10.246 -8.857 765 3HG2 VAL 98 3HG2 VAL 98 7.569 -10.068 -7.770 766 H LYS 99 H LYS 99 12.331 -8.650 -5.720 767 HA LYS 99 HA LYS 99 11.994 -7.047 -3.335 768 1HB LYS 99 1HB LYS 99 14.303 -7.170 -5.292 769 2HB LYS 99 2HB LYS 99 14.328 -6.368 -3.731 770 1HG LYS 99 2HG LYS 99 14.055 -8.464 -2.594 771 2HG LYS 99 1HG LYS 99 13.914 -9.316 -4.131 772 1HD LYS 99 2HD LYS 99 16.139 -9.655 -3.382 773 2HD LYS 99 1HD LYS 99 16.232 -8.457 -4.673 774 1HE LYS 99 2HE LYS 99 16.352 -6.669 -2.999 775 2HE LYS 99 1HE LYS 99 16.255 -7.868 -1.711 776 1HZ LYS 99 1HZ LYS 99 18.395 -8.451 -1.976 777 2HZ LYS 99 2HZ LYS 99 18.545 -6.921 -2.682 778 3HZ LYS 99 3HZ LYS 99 18.362 -8.289 -3.660 779 H THR 100 H THR 100 12.516 -4.710 -3.295 780 HA THR 100 HA THR 100 11.285 -3.350 -5.593 781 HB THR 100 HB THR 100 10.843 -1.487 -4.095 782 HG1 THR 100 HG1 THR 100 11.500 -1.592 -1.928 783 1HG2 THR 100 1HG2 THR 100 9.767 -4.067 -3.648 784 2HG2 THR 100 2HG2 THR 100 9.031 -2.493 -3.345 785 3HG2 THR 100 3HG2 THR 100 9.978 -3.281 -2.082 786 H ASP 101 H ASP 101 12.271 -1.688 -6.668 787 HA ASP 101 HA ASP 101 15.151 -1.412 -6.247 788 1HB ASP 101 2HB ASP 101 15.068 -0.262 -8.512 789 2HB ASP 101 1HB ASP 101 14.646 -1.970 -8.502 790 H LYS 102 H LYS 102 15.867 0.983 -7.065 791 HA LYS 102 HA LYS 102 14.910 2.717 -4.994 792 1HB LYS 102 2HB LYS 102 16.596 4.298 -5.790 793 2HB LYS 102 1HB LYS 102 17.276 2.691 -5.590 794 1HG LYS 102 1HG LYS 102 17.286 2.323 -7.951 795 2HG LYS 102 2HG LYS 102 16.372 3.803 -8.238 796 1HD LYS 102 2HD LYS 102 19.081 3.840 -6.935 797 2HD LYS 102 1HD LYS 102 18.891 3.853 -8.687 798 1HE LYS 102 2HE LYS 102 19.111 6.114 -8.070 799 2HE LYS 102 1HE LYS 102 17.388 5.882 -8.361 800 1HZ LYS 102 1HZ LYS 102 16.890 6.159 -6.181 801 2HZ LYS 102 2HZ LYS 102 18.296 7.098 -6.221 802 3HZ LYS 102 3HZ LYS 102 18.354 5.514 -5.627 803 H TRP 103 H TRP 103 14.048 2.244 -8.280 804 HA TRP 103 HA TRP 103 13.052 4.915 -8.718 805 1HB TRP 103 2HB TRP 103 12.597 2.405 -10.349 806 2HB TRP 103 1HB TRP 103 12.221 4.046 -10.855 807 HD1 TRP 103 HD1 TRP 103 15.189 1.691 -10.313 808 HE1 TRP 103 HE1 TRP 103 17.250 2.662 -11.508 809 HE3 TRP 103 HE3 TRP 103 13.271 6.231 -11.691 810 HZ2 TRP 103 HZ2 TRP 103 17.971 5.033 -12.849 811 HZ3 TRP 103 HZ3 TRP 103 14.717 7.792 -12.928 812 HH2 TRP 103 HH2 TRP 103 17.017 7.203 -13.495 813 H ASP 104 H ASP 104 11.924 2.392 -6.904 814 HA ASP 104 HA ASP 104 9.120 2.608 -7.540 815 1HB ASP 104 2HB ASP 104 10.727 1.062 -5.544 816 2HB ASP 104 1HB ASP 104 8.991 1.212 -5.313 817 H PHE 105 H PHE 105 11.323 4.118 -5.304 818 HA PHE 105 HA PHE 105 9.118 5.776 -4.333 819 1HB PHE 105 2HB PHE 105 10.571 5.600 -2.030 820 2HB PHE 105 1HB PHE 105 9.122 4.660 -2.369 821 HD1 PHE 105 HD1 PHE 105 12.858 4.511 -2.600 822 HD2 PHE 105 HD2 PHE 105 9.192 2.348 -2.370 823 HE1 PHE 105 HE1 PHE 105 14.109 2.415 -2.346 824 HE2 PHE 105 HE2 PHE 105 10.446 0.252 -2.104 825 HZ PHE 105 HZ PHE 105 12.907 0.283 -2.094 826 H TYR 106 H TYR 106 10.486 6.842 -6.181 827 HA TYR 106 HA TYR 106 12.017 8.936 -4.894 828 1HB TYR 106 2HB TYR 106 13.818 7.415 -5.391 829 2HB TYR 106 1HB TYR 106 13.225 7.148 -7.020 830 HD1 TYR 106 HD1 TYR 106 14.774 7.904 -8.522 831 HD2 TYR 106 HD2 TYR 106 14.000 10.310 -5.087 832 HE1 TYR 106 HE1 TYR 106 16.291 9.630 -9.390 833 HE2 TYR 106 HE2 TYR 106 15.510 12.038 -5.962 834 HH TYR 106 HH TYR 106 17.741 11.702 -7.954 835 H CYS 107 H CYS 107 10.742 10.570 -5.499 836 HA CYS 107 HA CYS 107 9.901 10.775 -8.310 837 1HB CYS 107 2HB CYS 107 8.786 12.020 -5.792 838 2HB CYS 107 1HB CYS 107 8.278 12.504 -7.407 839 H GLN 108 HN GLN 108 10.146 12.746 -9.434 840 HA GLN 108 HA GLN 108 12.179 14.547 -8.290 841 1HB GLN 108 2HB GLN 108 11.819 13.673 -11.159 842 2HB GLN 108 1HB GLN 108 12.904 14.961 -10.652 843 1HG GLN 108 2HG GLN 108 14.084 13.314 -9.209 844 2HG GLN 108 1HG GLN 108 13.068 12.052 -9.895 845 1HE2 GLN 108 1HE2 GLN 108 13.456 13.999 -12.459 846 2HE2 GLN 108 2HE2 GLN 108 14.911 13.353 -13.122 Start of MODEL 20 1 1H MET 1 1HT MET 1 6.394 15.845 -4.800 2 2H MET 1 2HT MET 1 7.034 14.475 -4.044 3 3H MET 1 3HT MET 1 5.703 14.324 -5.077 4 HA MET 1 HA MET 1 7.423 13.598 -6.401 5 1HB MET 1 2HB MET 1 7.130 16.579 -6.849 6 2HB MET 1 1HB MET 1 7.798 15.453 -8.021 7 1HG MET 1 1HG MET 1 5.660 14.276 -8.115 8 2HG MET 1 2HG MET 1 4.991 15.402 -6.935 9 1HE MET 1 1HE MET 1 3.643 14.983 -10.114 10 2HE MET 1 2HE MET 1 3.025 16.624 -9.926 11 3HE MET 1 3HE MET 1 3.090 15.541 -8.535 12 H GLY 2 H GLY 2 9.508 13.109 -6.411 13 1HA GLY 2 2HA GLY 2 11.777 14.387 -6.520 14 2HA GLY 2 1HA GLY 2 11.363 14.779 -4.860 15 HA PRO 3 HA PRO 3 13.361 10.551 -4.972 16 1HB PRO 3 2HB PRO 3 16.028 11.248 -4.694 17 2HB PRO 3 1HB PRO 3 15.229 10.856 -6.213 18 1HG PRO 3 1HG PRO 3 16.276 13.372 -5.385 19 2HG PRO 3 2HG PRO 3 15.451 12.983 -6.898 20 1HD PRO 3 1HD PRO 3 14.405 14.273 -4.463 21 2HD PRO 3 2HD PRO 3 13.820 14.357 -6.134 22 H MET 4 H MET 4 12.105 11.420 -2.829 23 HA MET 4 HA MET 4 13.914 11.817 -0.612 24 1HB MET 4 2HB MET 4 11.996 12.227 0.732 25 2HB MET 4 1HB MET 4 11.664 12.960 -0.819 26 1HG MET 4 2HG MET 4 10.607 10.259 -0.080 27 2HG MET 4 1HG MET 4 9.770 11.754 0.331 28 1HE MET 4 1HE MET 4 10.630 9.769 -3.527 29 2HE MET 4 2HE MET 4 9.285 9.074 -2.620 30 3HE MET 4 3HE MET 4 10.865 9.272 -1.845 31 HA PRO 5 HA PRO 5 14.513 7.680 0.875 32 1HB PRO 5 1HB PRO 5 13.273 7.435 3.326 33 2HB PRO 5 2HB PRO 5 14.854 8.169 3.053 34 1HG PRO 5 2HG PRO 5 12.187 9.473 3.360 35 2HG PRO 5 1HG PRO 5 13.758 9.957 4.028 36 1HD PRO 5 1HD PRO 5 12.723 11.166 1.886 37 2HD PRO 5 2HD PRO 5 14.468 10.874 2.015 38 H LYS 6 H LYS 6 13.752 5.596 1.142 39 HA LYS 6 HA LYS 6 11.082 5.111 0.084 40 1HB LYS 6 1HB LYS 6 13.311 3.156 0.683 41 2HB LYS 6 2HB LYS 6 11.862 2.831 -0.255 42 1HG LYS 6 2HG LYS 6 12.599 4.384 -1.971 43 2HG LYS 6 1HG LYS 6 14.032 4.773 -1.022 44 1HD LYS 6 1HD LYS 6 13.398 1.982 -1.964 45 2HD LYS 6 2HD LYS 6 14.365 3.118 -2.907 46 1HE LYS 6 1HE LYS 6 15.970 3.282 -1.063 47 2HE LYS 6 2HE LYS 6 15.003 2.146 -0.121 48 1HZ LYS 6 1HZ LYS 6 15.970 1.366 -2.786 49 2HZ LYS 6 2HZ LYS 6 15.599 0.392 -1.455 50 3HZ LYS 6 3HZ LYS 6 17.026 1.301 -1.466 51 H LEU 7 H LEU 7 10.173 2.877 1.015 52 HA LEU 7 HA LEU 7 9.982 3.223 3.936 53 1HB LEU 7 2HB LEU 7 7.985 1.982 2.029 54 2HB LEU 7 1HB LEU 7 7.807 2.022 3.767 55 HG LEU 7 HG LEU 7 6.382 3.693 2.945 56 1HD1 LEU 7 1HD1 LEU 7 8.833 5.268 3.676 57 2HD1 LEU 7 2HD1 LEU 7 7.869 4.374 4.851 58 3HD1 LEU 7 3HD1 LEU 7 7.142 5.695 3.936 59 1HD2 LEU 7 1HD2 LEU 7 7.932 5.531 1.521 60 2HD2 LEU 7 2HD2 LEU 7 6.647 4.491 0.908 61 3HD2 LEU 7 3HD2 LEU 7 8.322 3.943 0.861 62 H ALA 8 H ALA 8 10.076 0.828 1.336 63 HA ALA 8 HA ALA 8 11.350 -1.067 3.193 64 1HB ALA 8 1HB ALA 8 9.878 -2.763 2.807 65 2HB ALA 8 2HB ALA 8 9.469 -2.193 1.190 66 3HB ALA 8 3HB ALA 8 8.776 -1.402 2.606 67 H ASP 9 H ASP 9 11.819 -3.176 1.549 68 HA ASP 9 HA ASP 9 13.283 -2.031 -0.729 69 1HB ASP 9 2HB ASP 9 15.074 -3.723 -0.321 70 2HB ASP 9 1HB ASP 9 14.926 -2.515 0.944 71 H ARG 10 H ARG 10 11.307 -4.641 0.463 72 HA ARG 10 HA ARG 10 11.112 -5.672 -2.282 73 1HB ARG 10 2HB ARG 10 11.429 -7.380 0.182 74 2HB ARG 10 1HB ARG 10 10.968 -7.996 -1.390 75 1HG ARG 10 2HG ARG 10 13.108 -7.251 -2.306 76 2HG ARG 10 1HG ARG 10 13.570 -6.641 -0.713 77 1HD ARG 10 1HD ARG 10 13.339 -8.920 0.194 78 2HD ARG 10 2HD ARG 10 12.957 -9.508 -1.422 79 HE ARG 10 HE ARG 10 15.183 -9.507 -1.896 80 1HH1 ARG 10 1HH1 ARG 10 14.722 -7.430 0.899 81 2HH1 ARG 10 2HH1 ARG 10 16.417 -7.153 1.111 82 1HH2 ARG 10 1HH2 ARG 10 17.397 -9.131 -1.593 83 2HH2 ARG 10 2HH2 ARG 10 17.930 -8.114 -0.296 84 H LYS 11 H LYS 11 9.162 -6.830 -2.743 85 HA LYS 11 HA LYS 11 6.923 -6.361 -0.901 86 1HB LYS 11 2HB LYS 11 5.586 -5.568 -2.868 87 2HB LYS 11 1HB LYS 11 6.899 -4.488 -2.411 88 1HG LYS 11 1HG LYS 11 8.258 -5.756 -4.206 89 2HG LYS 11 2HG LYS 11 6.681 -6.287 -4.790 90 1HD LYS 11 2HD LYS 11 5.980 -4.008 -5.109 91 2HD LYS 11 1HD LYS 11 7.477 -3.415 -4.386 92 1HE LYS 11 2HE LYS 11 8.761 -4.423 -6.196 93 2HE LYS 11 1HE LYS 11 7.275 -5.041 -6.917 94 1HZ LYS 11 1HZ LYS 11 7.502 -2.160 -6.412 95 2HZ LYS 11 2HZ LYS 11 6.649 -2.975 -7.624 96 3HZ LYS 11 3HZ LYS 11 8.330 -2.814 -7.735 97 H LEU 12 H LEU 12 4.843 -7.386 -1.983 98 HA LEU 12 HA LEU 12 5.563 -10.045 -3.032 99 1HB LEU 12 2HB LEU 12 3.452 -9.263 -1.032 100 2HB LEU 12 1HB LEU 12 3.291 -10.725 -1.975 101 HG LEU 12 HG LEU 12 4.122 -11.332 0.168 102 1HD1 LEU 12 1HD2 LEU 12 6.719 -11.460 -1.215 103 2HD1 LEU 12 2HD2 LEU 12 5.338 -12.122 -2.088 104 3HD1 LEU 12 3HD2 LEU 12 5.748 -12.741 -0.488 105 1HD2 LEU 12 1HD1 LEU 12 6.642 -9.834 0.045 106 2HD2 LEU 12 2HD1 LEU 12 5.602 -10.213 1.418 107 3HD2 LEU 12 3HD1 LEU 12 5.193 -8.874 0.345 108 H CYS 13 H CYS 13 4.996 -10.198 -5.079 109 HA CYS 13 HA CYS 13 2.491 -8.938 -5.990 110 1HB CYS 13 2HB CYS 13 4.991 -9.532 -7.592 111 2HB CYS 13 1HB CYS 13 3.510 -8.836 -8.237 112 H ALA 14 H ALA 14 1.770 -10.101 -8.149 113 HA ALA 14 HA ALA 14 1.340 -12.880 -7.454 114 1HB ALA 14 1HB ALA 14 -0.608 -11.848 -8.224 115 2HB ALA 14 2HB ALA 14 -0.062 -12.800 -9.606 116 3HB ALA 14 3HB ALA 14 0.228 -11.061 -9.563 117 H ASP 15 H ASP 15 3.336 -11.018 -9.536 118 HA ASP 15 HA ASP 15 4.718 -13.396 -10.434 119 1HB ASP 15 1HB ASP 15 4.698 -12.740 -12.812 120 2HB ASP 15 2HB ASP 15 3.089 -13.120 -12.222 121 H GLN 16 H GLN 16 6.683 -12.690 -11.811 122 HA GLN 16 HA GLN 16 8.242 -10.970 -10.216 123 1HB GLN 16 1HB GLN 16 10.025 -11.336 -11.853 124 2HB GLN 16 2HB GLN 16 9.238 -12.836 -11.376 125 1HG GLN 16 2HG GLN 16 7.953 -12.836 -13.422 126 2HG GLN 16 1HG GLN 16 8.681 -11.304 -13.897 127 1HE2 GLN 16 1HE2 GLN 16 10.340 -11.427 -15.214 128 2HE2 GLN 16 2HE2 GLN 16 11.377 -12.792 -15.430 129 H GLU 17 H GLU 17 6.183 -10.248 -12.847 130 HA GLU 17 HA GLU 17 7.564 -7.766 -13.507 131 1HB GLU 17 2HB GLU 17 5.074 -9.055 -14.629 132 2HB GLU 17 1HB GLU 17 5.670 -7.495 -15.159 133 1HG GLU 17 1HG GLU 17 7.197 -10.087 -15.339 134 2HG GLU 17 2HG GLU 17 6.305 -9.336 -16.662 135 H CYS 18 H CYS 18 5.117 -8.842 -11.387 136 HA CYS 18 HA CYS 18 3.600 -7.828 -10.032 137 1HB CYS 18 1HB CYS 18 5.433 -5.451 -10.452 138 2HB CYS 18 2HB CYS 18 4.124 -5.492 -9.276 139 H SER 19 H SER 19 3.199 -7.878 -12.894 140 HA SER 19 HA SER 19 1.683 -5.470 -13.483 141 1HB SER 19 2HB SER 19 3.164 -6.234 -15.213 142 2HB SER 19 1HB SER 19 2.464 -7.839 -15.156 143 HG SER 19 HG SER 19 0.905 -7.187 -16.412 144 H HIS 20 H HIS 20 1.142 -8.439 -12.072 145 HA HIS 20 HA HIS 20 -1.636 -8.638 -12.989 146 1HB HIS 20 2HB HIS 20 0.298 -10.533 -11.761 147 2HB HIS 20 1HB HIS 20 -1.401 -10.765 -11.389 148 HD1 HIS 20 HD1 HIS 20 -0.782 -13.076 -12.657 149 HD2 HIS 20 HD2 HIS 20 -1.101 -9.680 -15.025 150 HE1 HIS 20 HE1 HIS 20 -1.199 -13.921 -14.970 151 HE2 HIS 20 HE2 HIS 20 -1.451 -11.852 -16.391 152 HA PRO 21 HA PRO 21 -2.939 -7.131 -8.981 153 1HB PRO 21 1HB PRO 21 -5.617 -7.436 -9.313 154 2HB PRO 21 2HB PRO 21 -4.677 -6.193 -10.139 155 1HG PRO 21 1HG PRO 21 -5.964 -8.554 -11.249 156 2HG PRO 21 2HG PRO 21 -5.271 -7.160 -12.093 157 1HD PRO 21 1HD PRO 21 -4.105 -9.798 -11.608 158 2HD PRO 21 2HD PRO 21 -3.563 -8.509 -12.710 159 H ILE 22 H ILE 22 -2.985 -8.049 -7.014 160 HA ILE 22 HA ILE 22 -3.396 -10.861 -6.731 161 HB ILE 22 HB ILE 22 -3.067 -8.807 -4.531 162 1HG1 ILE 22 2HG1 ILE 22 -0.946 -10.588 -5.754 163 2HG1 ILE 22 1HG1 ILE 22 -1.202 -8.916 -6.251 164 1HG2 ILE 22 1HG2 ILE 22 -2.166 -11.586 -4.134 165 2HG2 ILE 22 2HG2 ILE 22 -3.914 -11.378 -4.255 166 3HG2 ILE 22 3HG2 ILE 22 -3.002 -10.496 -3.028 167 1HD1 ILE 22 1HD1 ILE 22 0.589 -8.877 -4.738 168 2HD1 ILE 22 2HD1 ILE 22 -0.243 -9.936 -3.599 169 3HD1 ILE 22 3HD1 ILE 22 -0.805 -8.281 -3.837 170 H SER 23 H SER 23 -5.052 -8.107 -5.128 171 HA SER 23 HA SER 23 -7.557 -9.612 -5.349 172 1HB SER 23 2HB SER 23 -6.659 -10.133 -3.134 173 2HB SER 23 1HB SER 23 -6.512 -8.414 -2.774 174 HG SER 23 HG SER 23 -8.706 -8.234 -2.734 175 H MET 24 H MET 24 -9.415 -8.416 -5.408 176 HA MET 24 HA MET 24 -9.094 -5.573 -6.008 177 1HB MET 24 1HB MET 24 -10.311 -7.132 -7.568 178 2HB MET 24 2HB MET 24 -11.540 -7.319 -6.326 179 1HG MET 24 2HG MET 24 -10.845 -4.571 -7.193 180 2HG MET 24 1HG MET 24 -11.772 -5.582 -8.292 181 1HE MET 24 1HE MET 24 -13.757 -6.804 -7.737 182 2HE MET 24 2HE MET 24 -15.098 -6.076 -6.849 183 3HE MET 24 3HE MET 24 -13.985 -7.172 -6.027 184 H ALA 25 H ALA 25 -9.654 -4.054 -4.547 185 HA ALA 25 HA ALA 25 -11.405 -4.884 -2.324 186 1HB ALA 25 1HB ALA 25 -9.660 -4.639 -0.987 187 2HB ALA 25 2HB ALA 25 -9.767 -2.905 -1.295 188 3HB ALA 25 3HB ALA 25 -8.691 -3.909 -2.267 189 H VAL 26 H VAL 26 -12.684 -3.367 -1.341 190 HA VAL 26 HA VAL 26 -13.307 -0.992 -2.988 191 HB VAL 26 HB VAL 26 -15.018 -2.295 -0.849 192 1HG1 VAL 26 1HG2 VAL 26 -15.557 -0.090 -2.829 193 2HG1 VAL 26 2HG2 VAL 26 -15.677 -0.029 -1.070 194 3HG1 VAL 26 3HG2 VAL 26 -16.840 -0.972 -2.001 195 1HG2 VAL 26 1HG1 VAL 26 -16.396 -2.991 -2.888 196 2HG2 VAL 26 2HG1 VAL 26 -14.911 -3.885 -2.569 197 3HG2 VAL 26 3HG1 VAL 26 -14.945 -2.653 -3.830 198 H ALA 27 H ALA 27 -13.131 1.055 -2.163 199 HA ALA 27 HA ALA 27 -11.665 1.432 0.280 200 1HB ALA 27 1HB ALA 27 -11.118 3.415 -0.580 201 2HB ALA 27 2HB ALA 27 -12.799 3.837 -0.912 202 3HB ALA 27 3HB ALA 27 -11.896 2.842 -2.055 203 H LEU 28 H LEU 28 -12.373 1.945 2.245 204 HA LEU 28 HA LEU 28 -15.241 2.159 2.688 205 1HB LEU 28 2HB LEU 28 -12.952 1.904 4.639 206 2HB LEU 28 1HB LEU 28 -14.632 2.011 5.109 207 HG LEU 28 HG LEU 28 -14.038 -0.261 5.288 208 1HD1 LEU 28 1HD1 LEU 28 -15.409 -0.092 2.615 209 2HD1 LEU 28 2HD1 LEU 28 -16.210 0.185 4.162 210 3HD1 LEU 28 3HD1 LEU 28 -15.513 -1.394 3.802 211 1HD2 LEU 28 1HD2 LEU 28 -13.228 -0.857 2.570 212 2HD2 LEU 28 2HD2 LEU 28 -12.485 -1.306 4.105 213 3HD2 LEU 28 3HD2 LEU 28 -12.134 0.263 3.382 214 H GLN 29 H GLN 29 -12.416 4.231 2.829 215 HA GLN 29 HA GLN 29 -14.173 6.482 3.426 216 1HB GLN 29 2HB GLN 29 -12.638 7.349 5.180 217 2HB GLN 29 1HB GLN 29 -13.466 5.868 5.633 218 1HG GLN 29 2HG GLN 29 -11.490 4.571 5.235 219 2HG GLN 29 1HG GLN 29 -10.649 5.970 4.578 220 1HE2 GLN 29 1HE2 GLN 29 -12.291 7.325 7.017 221 2HE2 GLN 29 2HE2 GLN 29 -11.166 7.118 8.305 222 H ASP 30 H ASP 30 -12.776 8.580 3.531 223 HA ASP 30 HA ASP 30 -11.473 8.827 0.978 224 1HB ASP 30 2HB ASP 30 -11.924 10.855 3.181 225 2HB ASP 30 1HB ASP 30 -11.319 11.230 1.572 226 H TYR 31 H TYR 31 -9.367 9.589 0.600 227 HA TYR 31 HA TYR 31 -7.457 9.736 2.776 228 1HB TYR 31 2HB TYR 31 -7.659 7.269 2.011 229 2HB TYR 31 1HB TYR 31 -6.878 7.807 0.531 230 HD1 TYR 31 HD1 TYR 31 -4.552 7.904 0.403 231 HD2 TYR 31 HD2 TYR 31 -6.405 7.776 4.234 232 HE1 TYR 31 HE1 TYR 31 -2.343 7.679 1.459 233 HE2 TYR 31 HE2 TYR 31 -4.201 7.549 5.298 234 HH TYR 31 HH TYR 31 -1.580 6.580 3.914 235 H MET 32 H MET 32 -5.807 11.116 2.306 236 HA MET 32 HA MET 32 -5.619 12.096 -0.468 237 1HB MET 32 2HB MET 32 -5.128 13.590 2.113 238 2HB MET 32 1HB MET 32 -4.824 14.241 0.508 239 1HG MET 32 1HG MET 32 -7.511 13.348 1.533 240 2HG MET 32 2HG MET 32 -6.942 15.009 1.486 241 1HE MET 32 1HE MET 32 -7.006 16.065 -2.107 242 2HE MET 32 2HE MET 32 -5.550 15.174 -1.663 243 3HE MET 32 3HE MET 32 -6.301 16.270 -0.503 244 H ALA 33 H ALA 33 -3.663 12.177 -1.437 245 HA ALA 33 HA ALA 33 -1.443 10.861 -0.065 246 1HB ALA 33 1HB ALA 33 -1.861 9.887 -2.138 247 2HB ALA 33 2HB ALA 33 -0.461 10.922 -2.425 248 3HB ALA 33 3HB ALA 33 -2.065 11.447 -2.935 249 HA PRO 34 HA PRO 34 0.488 14.926 0.399 250 1HB PRO 34 2HB PRO 34 2.654 13.560 1.775 251 2HB PRO 34 1HB PRO 34 1.470 14.691 2.430 252 1HG PRO 34 2HG PRO 34 1.506 12.062 3.076 253 2HG PRO 34 1HG PRO 34 0.010 13.017 3.022 254 1HD PRO 34 2HD PRO 34 1.134 11.138 0.968 255 2HD PRO 34 1HD PRO 34 -0.535 11.297 1.554 256 H ASP 35 H ASP 35 2.915 12.307 0.171 257 HA ASP 35 HA ASP 35 4.316 13.829 -1.894 258 1HB ASP 35 2HB ASP 35 6.248 12.832 -1.234 259 2HB ASP 35 1HB ASP 35 5.343 12.655 0.262 260 H CYS 36 H CYS 36 5.382 12.437 -3.651 261 HA CYS 36 HA CYS 36 3.353 11.381 -5.283 262 1HB CYS 36 2HB CYS 36 5.474 12.496 -6.029 263 2HB CYS 36 1HB CYS 36 6.326 11.006 -5.642 264 H ARG 37 H ARG 37 4.988 9.793 -2.748 265 HA ARG 37 HA ARG 37 5.025 7.182 -3.975 266 1HB ARG 37 1HB ARG 37 5.525 8.125 -1.165 267 2HB ARG 37 2HB ARG 37 5.447 6.418 -1.568 268 1HG ARG 37 1HG ARG 37 7.283 6.745 -3.172 269 2HG ARG 37 2HG ARG 37 7.385 8.433 -2.671 270 1HD ARG 37 2HD ARG 37 7.615 6.187 -0.693 271 2HD ARG 37 1HD ARG 37 9.007 6.752 -1.608 272 HE ARG 37 HE ARG 37 9.018 8.710 -0.375 273 1HH1 ARG 37 1HH1 ARG 37 6.237 6.781 0.561 274 2HH1 ARG 37 2HH1 ARG 37 5.888 7.761 1.944 275 1HH2 ARG 37 1HH2 ARG 37 8.540 9.969 1.439 276 2HH2 ARG 37 2HH2 ARG 37 7.187 9.560 2.441 277 H PHE 38 H PHE 38 2.730 9.042 -2.117 278 HA PHE 38 HA PHE 38 1.130 6.641 -1.625 279 1HB PHE 38 2HB PHE 38 0.969 9.454 -0.588 280 2HB PHE 38 1HB PHE 38 -0.395 8.357 -0.428 281 HD1 PHE 38 HD1 PHE 38 -0.518 6.917 1.374 282 HD2 PHE 38 HD2 PHE 38 3.239 8.644 0.371 283 HE1 PHE 38 HE1 PHE 38 0.454 5.991 3.434 284 HE2 PHE 38 HE2 PHE 38 4.218 7.716 2.428 285 HZ PHE 38 HZ PHE 38 2.825 6.387 3.962 286 H LEU 39 H LEU 39 -1.228 6.763 -1.982 287 HA LEU 39 HA LEU 39 -1.862 8.139 -4.515 288 1HB LEU 39 1HB LEU 39 -1.603 5.757 -4.882 289 2HB LEU 39 2HB LEU 39 -2.679 5.394 -3.552 290 HG LEU 39 HG LEU 39 -4.572 6.339 -4.838 291 1HD1 LEU 39 1HD2 LEU 39 -2.470 7.332 -6.515 292 2HD1 LEU 39 2HD2 LEU 39 -4.198 7.684 -6.561 293 3HD1 LEU 39 3HD2 LEU 39 -3.556 6.306 -7.456 294 1HD2 LEU 39 1HD1 LEU 39 -4.928 4.422 -6.041 295 2HD2 LEU 39 2HD1 LEU 39 -3.618 3.900 -4.981 296 3HD2 LEU 39 3HD1 LEU 39 -3.272 4.366 -6.647 297 H THR 40 H THR 40 -3.789 9.211 -4.665 298 HA THR 40 HA THR 40 -5.257 9.641 -2.185 299 HB THR 40 HB THR 40 -5.601 10.969 -4.892 300 HG1 THR 40 HG1 THR 40 -4.089 12.319 -4.316 301 1HG2 THR 40 1HG2 THR 40 -6.340 12.294 -2.334 302 2HG2 THR 40 2HG2 THR 40 -7.455 11.119 -3.034 303 3HG2 THR 40 3HG2 THR 40 -6.971 12.536 -3.965 304 H ILE 41 H ILE 41 -7.039 8.562 -1.706 305 HA ILE 41 HA ILE 41 -8.652 7.396 -3.890 306 HB ILE 41 HB ILE 41 -7.953 6.123 -1.228 307 1HG1 ILE 41 1HG1 ILE 41 -7.458 4.980 -3.969 308 2HG1 ILE 41 2HG1 ILE 41 -6.302 6.090 -3.232 309 1HG2 ILE 41 1HG2 ILE 41 -9.213 4.173 -2.638 310 2HG2 ILE 41 2HG2 ILE 41 -10.131 5.592 -3.138 311 3HG2 ILE 41 3HG2 ILE 41 -9.997 5.187 -1.427 312 1HD1 ILE 41 1HD1 ILE 41 -6.644 4.305 -1.225 313 2HD1 ILE 41 2HD1 ILE 41 -5.374 4.209 -2.447 314 3HD1 ILE 41 3HD1 ILE 41 -6.857 3.274 -2.642 315 H HIS 42 H HIS 42 -10.743 7.938 -3.865 316 HA HIS 42 HA HIS 42 -11.827 9.344 -1.557 317 1HB HIS 42 2HB HIS 42 -12.852 8.902 -4.363 318 2HB HIS 42 1HB HIS 42 -13.845 9.623 -3.102 319 HD1 HIS 42 HD1 HIS 42 -12.336 11.735 -1.860 320 HD2 HIS 42 HD2 HIS 42 -11.739 10.836 -5.872 321 HE1 HIS 42 HE1 HIS 42 -11.311 13.798 -2.867 322 HE2 HIS 42 HE2 HIS 42 -11.046 13.263 -5.314 323 H ARG 43 H ARG 43 -13.947 8.767 -0.728 324 HA ARG 43 HA ARG 43 -14.072 6.092 0.099 325 1HB ARG 43 2HB ARG 43 -14.960 8.151 1.277 326 2HB ARG 43 1HB ARG 43 -16.333 8.088 0.184 327 1HG ARG 43 1HG ARG 43 -17.009 5.962 1.055 328 2HG ARG 43 2HG ARG 43 -15.542 5.851 2.034 329 1HD ARG 43 2HD ARG 43 -17.725 7.912 2.336 330 2HD ARG 43 1HD ARG 43 -17.459 6.522 3.386 331 HE ARG 43 HE ARG 43 -15.106 8.032 3.303 332 1HH1 ARG 43 1HH1 ARG 43 -18.379 8.311 4.529 333 2HH1 ARG 43 2HH1 ARG 43 -17.927 9.369 5.822 334 1HH2 ARG 43 1HH2 ARG 43 -14.532 9.420 5.005 335 2HH2 ARG 43 2HH2 ARG 43 -15.751 9.997 6.092 336 H GLY 44 H GLY 44 -14.694 4.352 -1.009 337 1HA GLY 44 2HA GLY 44 -16.429 3.090 -2.051 338 2HA GLY 44 1HA GLY 44 -17.045 4.570 -2.760 339 H GLN 45 H GLN 45 -13.709 4.577 -3.182 340 HA GLN 45 HA GLN 45 -14.007 4.031 -5.990 341 1HB GLN 45 1HB GLN 45 -11.571 4.686 -4.323 342 2HB GLN 45 2HB GLN 45 -11.504 4.373 -6.052 343 1HG GLN 45 1HG GLN 45 -13.115 6.239 -6.389 344 2HG GLN 45 2HG GLN 45 -12.961 6.608 -4.674 345 1HE2 GLN 45 1HE2 GLN 45 -9.965 5.532 -5.591 346 2HE2 GLN 45 2HE2 GLN 45 -9.244 7.044 -5.993 347 H VAL 46 H VAL 46 -13.131 2.406 -7.213 348 HA VAL 46 HA VAL 46 -12.702 -0.129 -5.834 349 HB VAL 46 HB VAL 46 -12.599 0.252 -8.825 350 1HG1 VAL 46 1HG1 VAL 46 -13.448 -2.050 -8.851 351 2HG1 VAL 46 2HG1 VAL 46 -13.436 -2.063 -7.087 352 3HG1 VAL 46 3HG1 VAL 46 -11.922 -1.910 -7.978 353 1HG2 VAL 46 1HG2 VAL 46 -14.777 0.628 -9.064 354 2HG2 VAL 46 2HG2 VAL 46 -14.799 1.040 -7.347 355 3HG2 VAL 46 3HG2 VAL 46 -15.204 -0.596 -7.867 356 H VAL 47 H VAL 47 -10.636 -0.257 -5.038 357 HA VAL 47 HA VAL 47 -8.447 0.524 -6.853 358 HB VAL 47 HB VAL 47 -8.119 0.103 -3.889 359 1HG1 VAL 47 1HG1 VAL 47 -6.534 2.074 -5.423 360 2HG1 VAL 47 2HG1 VAL 47 -6.243 0.371 -5.779 361 3HG1 VAL 47 3HG1 VAL 47 -6.043 0.973 -4.135 362 1HG2 VAL 47 1HG2 VAL 47 -8.520 2.394 -3.448 363 2HG2 VAL 47 2HG2 VAL 47 -9.898 1.829 -4.393 364 3HG2 VAL 47 3HG2 VAL 47 -8.628 2.781 -5.165 365 H TYR 48 H TYR 48 -7.154 -0.967 -7.653 366 HA TYR 48 HA TYR 48 -7.377 -3.720 -6.699 367 1HB TYR 48 2HB TYR 48 -6.199 -2.561 -9.235 368 2HB TYR 48 1HB TYR 48 -6.087 -4.258 -8.807 369 HD1 TYR 48 HD1 TYR 48 -7.587 -5.667 -9.805 370 HD2 TYR 48 HD2 TYR 48 -8.775 -1.637 -9.134 371 HE1 TYR 48 HE1 TYR 48 -9.717 -6.109 -10.945 372 HE2 TYR 48 HE2 TYR 48 -10.911 -2.075 -10.265 373 HH TYR 48 HH TYR 48 -11.839 -3.640 -11.906 374 H VAL 49 H VAL 49 -5.809 -4.679 -5.563 375 HA VAL 49 HA VAL 49 -3.376 -3.198 -4.964 376 HB VAL 49 HB VAL 49 -4.289 -5.876 -3.877 377 1HG1 VAL 49 1HG1 VAL 49 -2.648 -4.446 -2.059 378 2HG1 VAL 49 2HG1 VAL 49 -1.828 -4.470 -3.621 379 3HG1 VAL 49 3HG1 VAL 49 -2.318 -5.983 -2.860 380 1HG2 VAL 49 1HG2 VAL 49 -5.710 -4.823 -2.534 381 2HG2 VAL 49 2HG2 VAL 49 -5.393 -3.333 -3.424 382 3HG2 VAL 49 3HG2 VAL 49 -4.443 -3.723 -1.988 383 H PHE 50 H PHE 50 -1.350 -3.742 -5.621 384 HA PHE 50 HA PHE 50 -1.089 -6.079 -7.386 385 1HB PHE 50 2HB PHE 50 0.081 -3.319 -7.622 386 2HB PHE 50 1HB PHE 50 0.834 -4.691 -8.425 387 HD1 PHE 50 HD1 PHE 50 -2.480 -2.977 -8.131 388 HD2 PHE 50 HD2 PHE 50 0.178 -5.259 -10.549 389 HE1 PHE 50 HE1 PHE 50 -4.009 -2.731 -10.040 390 HE2 PHE 50 HE2 PHE 50 -1.349 -5.016 -12.461 391 HZ PHE 50 HZ PHE 50 -3.445 -3.750 -12.209 392 H SER 51 H SER 51 0.404 -4.230 -4.773 393 HA SER 51 HA SER 51 2.155 -6.507 -4.253 394 1HB SER 51 2HB SER 51 4.138 -4.994 -3.966 395 2HB SER 51 1HB SER 51 3.598 -5.183 -5.631 396 HG SER 51 HG SER 51 3.142 -2.994 -3.890 397 H LYS 52 H LYS 52 2.917 -6.725 -2.177 398 HA LYS 52 HA LYS 52 1.885 -4.811 -0.163 399 1HB LYS 52 2HB LYS 52 2.300 -7.712 0.503 400 2HB LYS 52 1HB LYS 52 1.287 -6.535 1.302 401 1HG LYS 52 1HG LYS 52 -0.365 -6.659 -0.384 402 2HG LYS 52 2HG LYS 52 0.691 -7.596 -1.438 403 1HD LYS 52 1HD LYS 52 0.660 -9.442 0.173 404 2HD LYS 52 2HD LYS 52 -0.409 -8.505 1.217 405 1HE LYS 52 2HE LYS 52 -2.104 -8.470 -0.547 406 2HE LYS 52 1HE LYS 52 -1.033 -9.410 -1.592 407 1HZ LYS 52 1HZ LYS 52 -2.180 -10.308 0.998 408 2HZ LYS 52 2HZ LYS 52 -1.107 -11.205 0.047 409 3HZ LYS 52 3HZ LYS 52 -2.650 -10.836 -0.540 410 H LEU 53 H LEU 53 3.519 -3.852 0.947 411 HA LEU 53 HA LEU 53 6.225 -4.593 0.559 412 1HB LEU 53 1HB LEU 53 5.112 -2.813 2.727 413 2HB LEU 53 2HB LEU 53 6.772 -2.854 2.156 414 HG LEU 53 HG LEU 53 4.398 -1.996 0.488 415 1HD1 LEU 53 1HD2 LEU 53 6.547 -0.206 1.567 416 2HD1 LEU 53 2HD2 LEU 53 5.068 -0.535 2.472 417 3HD1 LEU 53 3HD2 LEU 53 4.979 0.230 0.885 418 1HD2 LEU 53 1HD1 LEU 53 7.242 -2.464 -0.115 419 2HD2 LEU 53 2HD1 LEU 53 6.575 -0.948 -0.720 420 3HD2 LEU 53 3HD1 LEU 53 5.834 -2.482 -1.180 421 H LYS 54 H LYS 54 7.793 -5.395 2.014 422 HA LYS 54 HA LYS 54 6.716 -7.376 3.859 423 1HB LYS 54 1HB LYS 54 9.544 -6.902 2.899 424 2HB LYS 54 2HB LYS 54 9.063 -8.204 3.976 425 1HG LYS 54 2HG LYS 54 7.590 -9.078 2.221 426 2HG LYS 54 1HG LYS 54 8.148 -7.798 1.143 427 1HD LYS 54 1HD LYS 54 9.475 -9.601 0.538 428 2HD LYS 54 2HD LYS 54 10.510 -8.707 1.646 429 1HE LYS 54 2HE LYS 54 8.790 -11.011 2.530 430 2HE LYS 54 1HE LYS 54 10.437 -11.227 1.942 431 1HZ LYS 54 1HZ LYS 54 10.825 -11.044 4.158 432 2HZ LYS 54 2HZ LYS 54 9.494 -10.041 4.443 433 3HZ LYS 54 3HZ LYS 54 10.901 -9.402 3.757 434 H GLY 55 H GLY 55 9.874 -6.010 4.538 435 1HA GLY 55 2HA GLY 55 9.139 -5.547 7.267 436 2HA GLY 55 1HA GLY 55 10.709 -5.238 6.541 437 H ARG 56 H ARG 56 9.317 -3.620 8.432 438 HA ARG 56 HA ARG 56 9.098 -1.426 8.933 439 1HB ARG 56 1HB ARG 56 9.712 -0.877 6.023 440 2HB ARG 56 2HB ARG 56 9.598 0.339 7.284 441 1HG ARG 56 1HG ARG 56 11.542 -1.906 7.580 442 2HG ARG 56 2HG ARG 56 11.919 -0.553 6.514 443 1HD ARG 56 2HD ARG 56 12.878 -0.068 8.628 444 2HD ARG 56 1HD ARG 56 11.475 0.979 8.439 445 HE ARG 56 HE ARG 56 10.692 -1.342 9.806 446 1HH1 ARG 56 1HH1 ARG 56 12.657 1.513 10.338 447 2HH1 ARG 56 2HH1 ARG 56 12.409 1.505 12.050 448 1HH2 ARG 56 1HH2 ARG 56 10.377 -1.336 12.053 449 2HH2 ARG 56 2HH2 ARG 56 11.120 -0.107 13.021 450 H GLY 57 H GLY 57 7.651 -1.916 5.695 451 1HA GLY 57 1HA GLY 57 5.414 -0.241 6.229 452 2HA GLY 57 2HA GLY 57 5.587 -1.342 4.870 453 H ARG 58 H ARG 58 5.657 -3.767 5.851 454 HA ARG 58 HA ARG 58 4.433 -5.522 6.544 455 1HB ARG 58 1HB ARG 58 3.811 -3.669 8.848 456 2HB ARG 58 2HB ARG 58 3.400 -5.377 8.818 457 1HG ARG 58 1HG ARG 58 6.213 -4.346 8.547 458 2HG ARG 58 2HG ARG 58 5.473 -4.787 10.086 459 1HD ARG 58 2HD ARG 58 5.103 -7.065 9.247 460 2HD ARG 58 1HD ARG 58 5.864 -6.620 7.719 461 HE ARG 58 HE ARG 58 7.650 -6.048 9.795 462 1HH1 ARG 58 1HH1 ARG 58 6.205 -8.853 8.262 463 2HH1 ARG 58 2HH1 ARG 58 7.543 -9.886 8.630 464 1HH2 ARG 58 1HH2 ARG 58 9.396 -7.420 10.267 465 2HH2 ARG 58 2HH2 ARG 58 9.349 -9.077 9.764 466 H LEU 59 H LEU 59 2.260 -3.016 7.769 467 HA LEU 59 HA LEU 59 0.034 -4.275 6.408 468 1HB LEU 59 1HB LEU 59 -1.365 -2.681 7.670 469 2HB LEU 59 2HB LEU 59 -0.331 -3.652 8.696 470 HG LEU 59 HG LEU 59 1.215 -1.438 8.395 471 1HD1 LEU 59 1HD1 LEU 59 -0.224 -0.046 7.213 472 2HD1 LEU 59 2HD1 LEU 59 -0.468 0.450 8.887 473 3HD1 LEU 59 3HD1 LEU 59 -1.645 -0.599 8.099 474 1HD2 LEU 59 1HD2 LEU 59 -0.904 -2.058 10.438 475 2HD2 LEU 59 2HD2 LEU 59 0.271 -0.755 10.625 476 3HD2 LEU 59 3HD2 LEU 59 0.819 -2.427 10.510 477 H PHE 60 H PHE 60 2.305 -2.125 5.449 478 HA PHE 60 HA PHE 60 0.523 -0.326 4.007 479 1HB PHE 60 2HB PHE 60 3.499 -0.478 4.363 480 2HB PHE 60 1HB PHE 60 2.829 0.460 3.036 481 HD1 PHE 60 HD1 PHE 60 2.436 0.071 6.743 482 HD2 PHE 60 HD2 PHE 60 2.396 2.678 3.378 483 HE1 PHE 60 HE1 PHE 60 2.123 1.996 8.242 484 HE2 PHE 60 HE2 PHE 60 2.081 4.606 4.873 485 HZ PHE 60 HZ PHE 60 1.945 4.267 7.307 486 H TRP 61 H TRP 61 -0.362 -0.919 2.181 487 HA TRP 61 HA TRP 61 1.025 -2.853 0.447 488 1HB TRP 61 2HB TRP 61 -1.908 -2.202 0.806 489 2HB TRP 61 1HB TRP 61 -1.319 -3.125 -0.568 490 HD1 TRP 61 HD1 TRP 61 0.596 -4.147 2.462 491 HE1 TRP 61 HE1 TRP 61 -0.313 -6.358 3.384 492 HE3 TRP 61 HE3 TRP 61 -3.777 -4.428 -0.181 493 HZ2 TRP 61 HZ2 TRP 61 -2.574 -8.002 3.074 494 HZ3 TRP 61 HZ3 TRP 61 -5.246 -6.355 0.198 495 HH2 TRP 61 HH2 TRP 61 -4.669 -8.105 1.787 496 H GLY 62 H GLY 62 -0.206 -2.435 -1.958 497 1HA GLY 62 2HA GLY 62 -0.367 0.332 -2.681 498 2HA GLY 62 1HA GLY 62 1.218 -0.368 -3.114 499 H GLY 63 H GLY 63 -0.440 0.663 -5.044 500 1HA GLY 63 2HA GLY 63 -0.477 -1.211 -7.030 501 2HA GLY 63 1HA GLY 63 -2.052 -1.374 -6.268 502 H SER 64 H SER 64 -3.260 -0.626 -7.973 503 HA SER 64 HA SER 64 -3.047 2.260 -8.491 504 1HB SER 64 1HB SER 64 -3.513 1.922 -10.872 505 2HB SER 64 2HB SER 64 -2.035 1.076 -10.413 506 HG SER 64 HG SER 64 -3.937 -0.653 -10.044 507 H VAL 65 H VAL 65 -5.052 3.255 -9.160 508 HA VAL 65 HA VAL 65 -7.376 1.734 -8.208 509 HB VAL 65 HB VAL 65 -6.967 3.670 -6.835 510 1HG1 VAL 65 1HG1 VAL 65 -6.100 5.549 -7.620 511 2HG1 VAL 65 2HG1 VAL 65 -7.563 5.847 -8.558 512 3HG1 VAL 65 3HG1 VAL 65 -6.236 4.925 -9.265 513 1HG2 VAL 65 1HG2 VAL 65 -9.385 3.124 -8.082 514 2HG2 VAL 65 2HG2 VAL 65 -9.229 4.879 -8.169 515 3HG2 VAL 65 3HG2 VAL 65 -9.142 4.062 -6.607 516 H GLN 66 H GLN 66 -9.074 1.362 -9.435 517 HA GLN 66 HA GLN 66 -9.078 2.395 -12.186 518 1HB GLN 66 1HB GLN 66 -8.952 -0.033 -12.028 519 2HB GLN 66 2HB GLN 66 -10.367 -0.068 -10.987 520 1HG GLN 66 2HG GLN 66 -11.751 0.749 -12.810 521 2HG GLN 66 1HG GLN 66 -10.334 0.818 -13.864 522 1HE2 GLN 66 1HE2 GLN 66 -12.978 -0.931 -13.159 523 2HE2 GLN 66 2HE2 GLN 66 -12.458 -2.500 -13.666 524 H GLY 67 H GLY 67 -10.784 3.539 -12.957 525 1HA GLY 67 2HA GLY 67 -13.402 3.572 -12.332 526 2HA GLY 67 1HA GLY 67 -12.710 4.530 -11.031 527 H ASP 68 H ASP 68 -10.600 5.620 -12.743 528 HA ASP 68 HA ASP 68 -12.069 7.187 -14.710 529 1HB ASP 68 2HB ASP 68 -10.978 9.302 -13.747 530 2HB ASP 68 1HB ASP 68 -12.366 8.642 -12.891 531 H TYR 69 H TYR 69 -10.955 7.372 -16.516 532 HA TYR 69 HA TYR 69 -8.015 7.224 -16.403 533 1HB TYR 69 2HB TYR 69 -9.842 5.911 -18.431 534 2HB TYR 69 1HB TYR 69 -8.100 6.037 -18.614 535 HD1 TYR 69 HD1 TYR 69 -10.766 4.534 -16.496 536 HD2 TYR 69 HD2 TYR 69 -6.662 4.469 -17.622 537 HE1 TYR 69 HE1 TYR 69 -10.473 2.411 -15.290 538 HE2 TYR 69 HE2 TYR 69 -6.361 2.348 -16.418 539 HH TYR 69 HH TYR 69 -7.577 1.179 -14.414 540 H TYR 70 H TYR 70 -7.439 9.278 -16.766 541 HA TYR 70 HA TYR 70 -8.641 10.690 -19.053 542 1HB TYR 70 2HB TYR 70 -7.358 11.751 -16.535 543 2HB TYR 70 1HB TYR 70 -7.677 12.767 -17.934 544 HD1 TYR 70 HD1 TYR 70 -9.409 10.524 -15.491 545 HD2 TYR 70 HD2 TYR 70 -9.733 13.820 -18.167 546 HE1 TYR 70 HE1 TYR 70 -11.691 10.952 -14.682 547 HE2 TYR 70 HE2 TYR 70 -12.015 14.254 -17.362 548 HH TYR 70 HH TYR 70 -13.847 13.033 -16.270 549 H GLY 71 H GLY 71 -5.948 8.999 -18.150 550 1HA GLY 71 1HA GLY 71 -4.447 9.136 -20.352 551 2HA GLY 71 2HA GLY 71 -3.984 10.628 -19.548 552 H ASP 72 H ASP 72 -2.903 10.529 -17.536 553 HA ASP 72 HA ASP 72 -1.512 7.975 -17.094 554 1HB ASP 72 2HB ASP 72 -0.697 10.805 -16.386 555 2HB ASP 72 1HB ASP 72 0.216 9.371 -15.938 556 H LEU 73 H LEU 73 -3.002 6.987 -15.753 557 HA LEU 73 HA LEU 73 -3.198 8.130 -13.052 558 1HB LEU 73 1HB LEU 73 -5.313 8.280 -14.640 559 2HB LEU 73 2HB LEU 73 -5.506 6.600 -14.195 560 HG LEU 73 HG LEU 73 -6.912 8.152 -12.870 561 1HD1 LEU 73 1HD2 LEU 73 -4.871 6.727 -11.180 562 2HD1 LEU 73 2HD2 LEU 73 -6.242 5.957 -11.978 563 3HD1 LEU 73 3HD2 LEU 73 -6.517 7.162 -10.720 564 1HD2 LEU 73 1HD1 LEU 73 -6.157 9.907 -11.710 565 2HD2 LEU 73 2HD1 LEU 73 -4.758 9.792 -12.778 566 3HD2 LEU 73 3HD1 LEU 73 -4.705 9.063 -11.173 567 H ALA 74 H ALA 74 -3.948 5.183 -14.937 568 HA ALA 74 HA ALA 74 -3.250 3.511 -12.666 569 1HB ALA 74 1HB ALA 74 -4.623 3.088 -15.258 570 2HB ALA 74 2HB ALA 74 -5.052 2.532 -13.638 571 3HB ALA 74 3HB ALA 74 -3.782 1.709 -14.546 572 H ALA 75 H ALA 75 -1.598 4.936 -15.198 573 HA ALA 75 HA ALA 75 0.210 2.864 -15.926 574 1HB ALA 75 1HB ALA 75 1.634 4.917 -16.636 575 2HB ALA 75 2HB ALA 75 0.178 5.837 -16.255 576 3HB ALA 75 3HB ALA 75 0.127 4.573 -17.484 577 H ARG 76 H ARG 76 0.165 5.328 -13.434 578 HA ARG 76 HA ARG 76 2.809 4.531 -12.477 579 1HB ARG 76 2HB ARG 76 2.539 6.430 -10.876 580 2HB ARG 76 1HB ARG 76 2.486 6.910 -12.565 581 1HG ARG 76 2HG ARG 76 0.091 7.138 -12.480 582 2HG ARG 76 1HG ARG 76 0.056 6.506 -10.833 583 1HD ARG 76 2HD ARG 76 1.274 8.411 -10.019 584 2HD ARG 76 1HD ARG 76 1.508 9.016 -11.658 585 HE ARG 76 HE ARG 76 -0.567 9.953 -11.551 586 1HH1 ARG 76 1HH1 ARG 76 -0.393 7.516 -9.031 587 2HH1 ARG 76 2HH1 ARG 76 -1.951 7.910 -8.390 588 1HH2 ARG 76 1HH2 ARG 76 -2.604 10.451 -10.690 589 2HH2 ARG 76 2HH2 ARG 76 -3.202 9.567 -9.327 590 H LEU 77 H LEU 77 3.157 3.858 -10.314 591 HA LEU 77 HA LEU 77 0.786 2.630 -9.072 592 1HB LEU 77 1HB LEU 77 3.643 1.677 -9.180 593 2HB LEU 77 2HB LEU 77 2.449 0.988 -8.096 594 HG LEU 77 HG LEU 77 2.079 1.047 -11.091 595 1HD1 LEU 77 1HD1 LEU 77 3.430 -0.693 -11.360 596 2HD1 LEU 77 2HD1 LEU 77 2.706 -1.544 -9.996 597 3HD1 LEU 77 3HD1 LEU 77 4.025 -0.404 -9.726 598 1HD2 LEU 77 1HD2 LEU 77 0.002 0.630 -10.178 599 2HD2 LEU 77 2HD2 LEU 77 0.671 -0.213 -8.776 600 3HD2 LEU 77 3HD2 LEU 77 0.642 -1.005 -10.353 601 H GLY 78 H GLY 78 0.238 3.299 -7.132 602 1HA GLY 78 1HA GLY 78 2.216 4.823 -5.552 603 2HA GLY 78 2HA GLY 78 0.481 5.110 -5.515 604 H TYR 79 H TYR 79 1.170 4.895 -3.120 605 HA TYR 79 HA TYR 79 0.695 2.102 -2.341 606 1HB TYR 79 2HB TYR 79 2.605 4.007 -0.958 607 2HB TYR 79 1HB TYR 79 2.182 2.394 -0.385 608 HD1 TYR 79 HD1 TYR 79 4.560 4.242 -2.171 609 HD2 TYR 79 HD2 TYR 79 2.597 0.468 -2.203 610 HE1 TYR 79 HE1 TYR 79 6.383 3.310 -3.530 611 HE2 TYR 79 HE2 TYR 79 4.412 -0.474 -3.566 612 HH TYR 79 HH TYR 79 6.816 0.003 -4.008 613 H PHE 80 H PHE 80 -0.531 1.765 -0.493 614 HA PHE 80 HA PHE 80 -1.696 4.024 0.907 615 1HB PHE 80 2HB PHE 80 -4.040 3.180 0.406 616 2HB PHE 80 1HB PHE 80 -3.208 3.944 -0.944 617 HD1 PHE 80 HD1 PHE 80 -4.282 0.685 0.459 618 HD2 PHE 80 HD2 PHE 80 -2.758 2.754 -2.938 619 HE1 PHE 80 HE1 PHE 80 -4.702 -1.297 -0.934 620 HE2 PHE 80 HE2 PHE 80 -3.179 0.775 -4.333 621 HZ PHE 80 HZ PHE 80 -4.152 -1.253 -3.334 622 HA PRO 81 HA PRO 81 -1.756 1.025 4.210 623 1HB PRO 81 2HB PRO 81 -4.063 2.258 5.485 624 2HB PRO 81 1HB PRO 81 -2.372 2.290 5.988 625 1HG PRO 81 2HG PRO 81 -3.679 4.487 5.080 626 2HG PRO 81 1HG PRO 81 -1.936 4.240 4.862 627 1HD PRO 81 2HD PRO 81 -4.171 3.802 2.911 628 2HD PRO 81 1HD PRO 81 -2.577 4.543 2.650 629 H SER 82 H SER 82 -2.628 -0.945 4.530 630 HA SER 82 HA SER 82 -4.766 -1.877 2.949 631 1HB SER 82 2HB SER 82 -4.455 -4.000 4.104 632 2HB SER 82 1HB SER 82 -2.881 -3.277 3.791 633 HG SER 82 HG SER 82 -2.890 -3.965 5.898 634 H SER 83 H SER 83 -4.702 -0.365 6.028 635 HA SER 83 HA SER 83 -7.046 -1.412 7.184 636 1HB SER 83 2HB SER 83 -6.941 0.566 8.663 637 2HB SER 83 1HB SER 83 -5.382 -0.243 8.510 638 HG SER 83 HG SER 83 -6.232 2.199 7.390 639 H ILE 84 H ILE 84 -6.640 1.046 4.701 640 HA ILE 84 HA ILE 84 -9.373 1.988 5.125 641 HB ILE 84 HB ILE 84 -8.983 3.630 3.376 642 1HG1 ILE 84 2HG1 ILE 84 -6.099 2.790 3.266 643 2HG1 ILE 84 1HG1 ILE 84 -7.284 2.103 2.153 644 1HG2 ILE 84 1HG2 ILE 84 -7.062 4.836 4.555 645 2HG2 ILE 84 2HG2 ILE 84 -7.020 3.438 5.630 646 3HG2 ILE 84 3HG2 ILE 84 -8.484 4.414 5.509 647 1HD1 ILE 84 1HD1 ILE 84 -6.924 3.840 0.839 648 2HD1 ILE 84 2HD1 ILE 84 -5.946 4.639 2.071 649 3HD1 ILE 84 3HD1 ILE 84 -7.698 4.847 2.062 650 H VAL 85 H VAL 85 -8.073 -0.597 3.554 651 HA VAL 85 HA VAL 85 -10.241 -0.544 1.554 652 HB VAL 85 HB VAL 85 -8.823 -2.016 0.105 653 1HG1 VAL 85 1HG1 VAL 85 -7.611 0.688 0.649 654 2HG1 VAL 85 2HG1 VAL 85 -9.106 0.429 -0.249 655 3HG1 VAL 85 3HG1 VAL 85 -7.584 -0.211 -0.869 656 1HG2 VAL 85 1HG2 VAL 85 -6.307 -1.727 0.533 657 2HG2 VAL 85 2HG2 VAL 85 -7.180 -2.919 1.496 658 3HG2 VAL 85 3HG2 VAL 85 -6.773 -1.349 2.192 659 H ARG 86 H ARG 86 -11.377 -2.409 1.158 660 HA ARG 86 HA ARG 86 -10.960 -4.602 3.081 661 1HB ARG 86 2HB ARG 86 -13.023 -3.258 3.490 662 2HB ARG 86 1HB ARG 86 -13.590 -3.696 1.886 663 1HG ARG 86 2HG ARG 86 -13.642 -6.044 2.528 664 2HG ARG 86 1HG ARG 86 -13.031 -5.627 4.131 665 1HD ARG 86 2HD ARG 86 -15.023 -4.271 4.536 666 2HD ARG 86 1HD ARG 86 -15.635 -4.688 2.936 667 HE ARG 86 HE ARG 86 -15.122 -7.057 4.332 668 1HH1 ARG 86 1HH1 ARG 86 -17.344 -4.348 4.468 669 2HH1 ARG 86 2HH1 ARG 86 -18.612 -5.277 5.192 670 1HH2 ARG 86 1HH2 ARG 86 -16.796 -8.259 5.282 671 2HH2 ARG 86 2HH2 ARG 86 -18.302 -7.490 5.653 672 H GLU 87 H GLU 87 -10.051 -6.216 2.029 673 HA GLU 87 HA GLU 87 -10.507 -6.683 -0.775 674 1HB GLU 87 1HB GLU 87 -8.757 -7.947 1.318 675 2HB GLU 87 2HB GLU 87 -8.998 -8.741 -0.233 676 1HG GLU 87 1HG GLU 87 -7.011 -7.502 -0.421 677 2HG GLU 87 2HG GLU 87 -8.233 -6.609 -1.319 678 H ASP 88 H ASP 88 -12.435 -7.444 -1.282 679 HA ASP 88 HA ASP 88 -13.672 -9.502 0.361 680 1HB ASP 88 2HB ASP 88 -15.663 -9.109 -1.125 681 2HB ASP 88 1HB ASP 88 -15.142 -7.711 -0.193 682 H GLN 89 H GLN 89 -12.139 -9.154 -2.788 683 HA GLN 89 HA GLN 89 -12.399 -12.068 -3.095 684 1HB GLN 89 2HB GLN 89 -14.285 -11.025 -4.346 685 2HB GLN 89 1HB GLN 89 -13.112 -10.178 -5.342 686 1HG GLN 89 1HG GLN 89 -12.474 -12.953 -5.349 687 2HG GLN 89 2HG GLN 89 -14.189 -12.763 -5.704 688 1HE2 GLN 89 1HE2 GLN 89 -11.186 -12.903 -7.037 689 2HE2 GLN 89 2HE2 GLN 89 -11.500 -12.119 -8.539 690 H THR 90 H THR 90 -10.604 -13.024 -3.751 691 HA THR 90 HA THR 90 -8.335 -11.394 -4.608 692 HB THR 90 HB THR 90 -8.425 -14.357 -3.991 693 HG1 THR 90 HG1 THR 90 -8.795 -13.581 -2.055 694 1HG2 THR 90 1HG2 THR 90 -6.144 -12.438 -4.275 695 2HG2 THR 90 2HG2 THR 90 -6.421 -13.949 -5.141 696 3HG2 THR 90 3HG2 THR 90 -6.004 -13.978 -3.428 697 H LEU 91 H LEU 91 -7.793 -11.224 -6.688 698 HA LEU 91 HA LEU 91 -9.253 -12.697 -8.706 699 1HB LEU 91 1HB LEU 91 -7.049 -10.683 -9.119 700 2HB LEU 91 2HB LEU 91 -8.279 -11.167 -10.269 701 HG LEU 91 HG LEU 91 -9.055 -9.809 -7.709 702 1HD1 LEU 91 1HD2 LEU 91 -7.886 -8.570 -10.167 703 2HD1 LEU 91 2HD2 LEU 91 -7.526 -8.244 -8.472 704 3HD1 LEU 91 3HD2 LEU 91 -9.050 -7.695 -9.170 705 1HD2 LEU 91 1HD1 LEU 91 -10.609 -8.962 -9.869 706 2HD2 LEU 91 2HD1 LEU 91 -11.071 -10.079 -8.584 707 3HD2 LEU 91 3HD1 LEU 91 -10.394 -10.700 -10.092 708 H LYS 92 H LYS 92 -5.922 -12.434 -7.596 709 HA LYS 92 HA LYS 92 -5.283 -15.001 -8.761 710 1HB LYS 92 2HB LYS 92 -4.932 -13.179 -10.556 711 2HB LYS 92 1HB LYS 92 -3.551 -12.676 -9.597 712 1HG LYS 92 2HG LYS 92 -2.345 -14.578 -10.062 713 2HG LYS 92 1HG LYS 92 -3.783 -15.542 -10.384 714 1HD LYS 92 1HD LYS 92 -2.800 -13.332 -12.195 715 2HD LYS 92 2HD LYS 92 -2.394 -15.032 -12.402 716 1HE LYS 92 2HE LYS 92 -4.768 -15.577 -12.647 717 2HE LYS 92 1HE LYS 92 -5.181 -13.876 -12.437 718 1HZ LYS 92 1HZ LYS 92 -3.524 -14.984 -14.640 719 2HZ LYS 92 2HZ LYS 92 -3.952 -13.360 -14.445 720 3HZ LYS 92 3HZ LYS 92 -5.144 -14.514 -14.771 721 HA PRO 93 HA PRO 93 -2.974 -15.332 -4.932 722 1HB PRO 93 1HB PRO 93 -1.228 -17.048 -6.649 723 2HB PRO 93 2HB PRO 93 -1.853 -17.365 -5.031 724 1HG PRO 93 2HG PRO 93 -2.999 -18.532 -7.070 725 2HG PRO 93 1HG PRO 93 -4.035 -17.748 -5.856 726 1HD PRO 93 1HD PRO 93 -3.185 -16.741 -8.554 727 2HD PRO 93 2HD PRO 93 -4.787 -16.708 -7.804 728 H GLY 94 H GLY 94 -1.492 -14.101 -4.023 729 1HA GLY 94 1HA GLY 94 0.712 -13.030 -5.679 730 2HA GLY 94 2HA GLY 94 -0.025 -12.166 -4.335 731 H LYS 95 H LYS 95 1.803 -15.043 -5.163 732 HA LYS 95 HA LYS 95 3.031 -14.994 -2.497 733 1HB LYS 95 2HB LYS 95 3.343 -17.516 -2.898 734 2HB LYS 95 1HB LYS 95 1.743 -16.930 -2.462 735 1HG LYS 95 2HG LYS 95 1.020 -17.040 -4.754 736 2HG LYS 95 1HG LYS 95 2.647 -17.480 -5.278 737 1HD LYS 95 2HD LYS 95 1.007 -19.141 -3.372 738 2HD LYS 95 1HD LYS 95 0.990 -19.375 -5.119 739 1HE LYS 95 2HE LYS 95 3.402 -19.813 -5.079 740 2HE LYS 95 1HE LYS 95 3.417 -19.576 -3.332 741 1HZ LYS 95 1HZ LYS 95 3.263 -21.953 -4.308 742 2HZ LYS 95 2HZ LYS 95 1.623 -21.587 -4.509 743 3HZ LYS 95 3HZ LYS 95 2.316 -21.542 -2.967 744 H VAL 96 H VAL 96 4.002 -13.652 -4.899 745 HA VAL 96 HA VAL 96 6.561 -15.088 -5.245 746 HB VAL 96 HB VAL 96 5.275 -13.217 -7.254 747 1HG1 VAL 96 1HG1 VAL 96 7.739 -13.220 -7.305 748 2HG1 VAL 96 2HG1 VAL 96 7.039 -13.915 -8.769 749 3HG1 VAL 96 3HG1 VAL 96 7.718 -14.969 -7.529 750 1HG2 VAL 96 1HG2 VAL 96 4.406 -15.718 -6.765 751 2HG2 VAL 96 2HG2 VAL 96 5.693 -16.063 -7.921 752 3HG2 VAL 96 3HG2 VAL 96 4.379 -14.972 -8.363 753 H ASP 97 H ASP 97 8.176 -14.102 -4.229 754 HA ASP 97 HA ASP 97 7.967 -11.371 -3.324 755 1HB ASP 97 2HB ASP 97 9.004 -13.228 -1.983 756 2HB ASP 97 1HB ASP 97 10.337 -13.246 -3.129 757 H VAL 98 H VAL 98 8.508 -9.664 -4.484 758 HA VAL 98 HA VAL 98 10.624 -9.912 -6.531 759 HB VAL 98 HB VAL 98 8.375 -7.904 -6.706 760 1HG1 VAL 98 1HG1 VAL 98 10.741 -8.209 -8.118 761 2HG1 VAL 98 2HG1 VAL 98 9.348 -7.240 -8.596 762 3HG1 VAL 98 3HG1 VAL 98 9.512 -8.895 -9.182 763 1HG2 VAL 98 1HG2 VAL 98 8.093 -10.715 -7.012 764 2HG2 VAL 98 2HG2 VAL 98 7.968 -9.970 -8.605 765 3HG2 VAL 98 3HG2 VAL 98 6.901 -9.445 -7.300 766 H LYS 99 H LYS 99 12.307 -8.552 -6.320 767 HA LYS 99 HA LYS 99 12.399 -6.708 -4.097 768 1HB LYS 99 1HB LYS 99 14.438 -7.187 -6.287 769 2HB LYS 99 2HB LYS 99 14.718 -6.341 -4.774 770 1HG LYS 99 2HG LYS 99 14.405 -8.353 -3.521 771 2HG LYS 99 1HG LYS 99 13.972 -9.241 -4.983 772 1HD LYS 99 2HD LYS 99 16.219 -8.802 -5.888 773 2HD LYS 99 1HD LYS 99 16.641 -7.961 -4.395 774 1HE LYS 99 2HE LYS 99 16.265 -10.022 -3.130 775 2HE LYS 99 1HE LYS 99 15.840 -10.859 -4.622 776 1HZ LYS 99 1HZ LYS 99 18.001 -10.855 -5.346 777 2HZ LYS 99 2HZ LYS 99 18.236 -11.017 -3.679 778 3HZ LYS 99 3HZ LYS 99 18.443 -9.510 -4.420 779 H THR 100 H THR 100 13.069 -4.416 -4.378 780 HA THR 100 HA THR 100 11.696 -3.224 -6.682 781 HB THR 100 HB THR 100 11.688 -1.137 -5.392 782 HG1 THR 100 HG1 THR 100 12.934 -0.889 -3.736 783 1HG2 THR 100 1HG2 THR 100 10.690 -3.536 -3.886 784 2HG2 THR 100 2HG2 THR 100 9.783 -2.464 -4.953 785 3HG2 THR 100 3HG2 THR 100 10.365 -1.873 -3.397 786 H ASP 101 H ASP 101 12.642 -1.403 -7.790 787 HA ASP 101 HA ASP 101 15.582 -1.545 -7.869 788 1HB ASP 101 2HB ASP 101 13.643 -0.814 -10.069 789 2HB ASP 101 1HB ASP 101 15.395 -0.803 -10.223 790 H LYS 102 H LYS 102 16.240 0.665 -9.266 791 HA LYS 102 HA LYS 102 16.029 2.743 -7.347 792 1HB LYS 102 1HB LYS 102 17.966 2.204 -8.940 793 2HB LYS 102 2HB LYS 102 17.030 3.073 -10.141 794 1HG LYS 102 1HG LYS 102 17.058 4.760 -7.952 795 2HG LYS 102 2HG LYS 102 18.682 4.086 -8.017 796 1HD LYS 102 2HD LYS 102 18.911 5.924 -9.387 797 2HD LYS 102 1HD LYS 102 18.513 4.670 -10.562 798 1HE LYS 102 2HE LYS 102 17.223 6.670 -11.021 799 2HE LYS 102 1HE LYS 102 16.153 5.376 -10.483 800 1HZ LYS 102 1HZ LYS 102 17.126 7.027 -8.339 801 2HZ LYS 102 2HZ LYS 102 15.547 6.536 -8.694 802 3HZ LYS 102 3HZ LYS 102 16.208 7.883 -9.473 803 H TRP 103 H TRP 103 14.700 2.235 -10.572 804 HA TRP 103 HA TRP 103 13.286 4.763 -10.540 805 1HB TRP 103 2HB TRP 103 13.235 2.544 -12.601 806 2HB TRP 103 1HB TRP 103 12.554 4.152 -12.804 807 HD1 TRP 103 HD1 TRP 103 15.961 2.387 -12.518 808 HE1 TRP 103 HE1 TRP 103 17.751 3.885 -13.599 809 HE3 TRP 103 HE3 TRP 103 13.096 6.517 -13.487 810 HZ2 TRP 103 HZ2 TRP 103 17.931 6.466 -14.709 811 HZ3 TRP 103 HZ3 TRP 103 14.161 8.458 -14.562 812 HH2 TRP 103 HH2 TRP 103 16.528 8.432 -15.160 813 H ASP 104 H ASP 104 12.393 3.328 -8.426 814 HA ASP 104 HA ASP 104 9.674 2.546 -9.241 815 1HB ASP 104 2HB ASP 104 11.474 1.269 -7.188 816 2HB ASP 104 1HB ASP 104 9.727 1.060 -7.142 817 H PHE 105 H PHE 105 11.738 4.169 -6.938 818 HA PHE 105 HA PHE 105 9.357 5.302 -5.621 819 1HB PHE 105 2HB PHE 105 12.142 4.847 -4.538 820 2HB PHE 105 1HB PHE 105 10.937 5.826 -3.713 821 HD1 PHE 105 HD1 PHE 105 11.576 2.380 -4.976 822 HD2 PHE 105 HD2 PHE 105 9.381 4.851 -2.292 823 HE1 PHE 105 HE1 PHE 105 10.689 0.376 -3.860 824 HE2 PHE 105 HE2 PHE 105 8.490 2.850 -1.175 825 HZ PHE 105 HZ PHE 105 9.144 0.609 -1.958 826 H TYR 106 H TYR 106 11.594 6.022 -7.892 827 HA TYR 106 HA TYR 106 12.112 8.770 -7.080 828 1HB TYR 106 2HB TYR 106 13.919 7.488 -8.143 829 2HB TYR 106 1HB TYR 106 12.922 7.229 -9.563 830 HD1 TYR 106 HD1 TYR 106 13.945 8.295 -11.323 831 HD2 TYR 106 HD2 TYR 106 13.661 10.370 -7.611 832 HE1 TYR 106 HE1 TYR 106 14.893 10.304 -12.374 833 HE2 TYR 106 HE2 TYR 106 14.602 12.382 -8.661 834 HH TYR 106 HH TYR 106 14.959 13.371 -10.760 835 H CYS 107 H CYS 107 10.706 10.314 -7.480 836 HA CYS 107 HA CYS 107 8.939 10.094 -9.831 837 1HB CYS 107 1HB CYS 107 7.760 9.785 -7.663 838 2HB CYS 107 2HB CYS 107 8.303 11.381 -7.167 839 H GLN 108 HN GLN 108 8.592 11.921 -11.057 840 HA GLN 108 HA GLN 108 10.159 14.314 -10.343 841 1HB GLN 108 2HB GLN 108 9.804 13.052 -13.066 842 2HB GLN 108 1HB GLN 108 10.467 14.661 -12.817 843 1HG GLN 108 2HG GLN 108 12.290 13.694 -11.493 844 2HG GLN 108 1HG GLN 108 11.632 12.085 -11.779 845 1HE2 GLN 108 1HE2 GLN 108 13.919 14.199 -12.746 846 2HE2 GLN 108 2HE2 GLN 108 14.184 13.642 -14.360
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