NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16494 | 2a7y | 7000 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 8.773 2.048 0.146 2 HA MET 1 HA MET 1 6.630 1.075 -0.247 3 1HB MET 1 1HB MET 1 6.650 1.596 -2.705 4 2HB MET 1 2HB MET 1 7.766 0.260 -2.937 5 1HG MET 1 1HG MET 1 5.098 -0.168 -1.655 6 2HG MET 1 2HG MET 1 5.264 -0.094 -3.405 7 1HE MET 1 1HE MET 1 4.204 -2.501 -3.634 8 2HE MET 1 2HE MET 1 4.015 -2.588 -1.882 9 3HE MET 1 3HE MET 1 4.780 -3.917 -2.754 10 H HIS 2 H HIS 2 6.471 -0.836 0.774 11 HA HIS 2 HA HIS 2 8.677 -2.768 0.474 12 1HB HIS 2 1HB HIS 2 8.856 -1.524 2.643 13 2HB HIS 2 2HB HIS 2 7.262 -2.129 3.078 14 HD1 HIS 2 HD1 HIS 2 10.851 -3.141 2.823 15 HD2 HIS 2 HD2 HIS 2 7.189 -4.864 3.811 16 HE1 HIS 2 HE1 HIS 2 11.401 -5.331 3.927 17 HE2 HIS 2 HE2 HIS 2 9.179 -6.428 4.367 18 H ALA 3 H ALA 3 8.025 -4.801 0.067 19 HA ALA 3 HA ALA 3 5.127 -5.165 -0.183 20 1HB ALA 3 1HB ALA 3 7.366 -6.736 -1.450 21 2HB ALA 3 2HB ALA 3 6.482 -5.413 -2.210 22 3HB ALA 3 3HB ALA 3 5.643 -6.906 -1.789 23 H LYS 4 H LYS 4 4.238 -7.309 0.202 24 HA LYS 4 HA LYS 4 5.688 -9.041 2.027 25 1HB LYS 4 1HB LYS 4 4.570 -7.359 3.482 26 2HB LYS 4 2HB LYS 4 3.024 -7.806 2.777 27 1HG LYS 4 1HG LYS 4 3.217 -10.040 3.694 28 2HG LYS 4 2HG LYS 4 4.813 -9.656 4.341 29 1HD LYS 4 1HD LYS 4 2.236 -8.286 5.109 30 2HD LYS 4 2HD LYS 4 3.062 -9.519 6.064 31 1HE LYS 4 1HE LYS 4 4.987 -8.076 6.317 32 2HE LYS 4 2HE LYS 4 4.251 -6.865 5.267 33 1HZ LYS 4 1HZ LYS 4 4.072 -6.450 7.720 34 2HZ LYS 4 2HZ LYS 4 3.002 -7.758 7.803 35 3HZ LYS 4 3HZ LYS 4 2.608 -6.400 6.872 36 H VAL 5 H VAL 5 4.826 -11.153 2.071 37 HA VAL 5 HA VAL 5 3.196 -11.771 -0.254 38 HB VAL 5 HB VAL 5 5.182 -13.135 0.094 39 1HG1 VAL 5 1HG1 VAL 5 3.946 -13.951 2.719 40 2HG1 VAL 5 2HG1 VAL 5 5.376 -12.940 2.512 41 3HG1 VAL 5 3HG1 VAL 5 5.413 -14.632 2.016 42 1HG2 VAL 5 1HG2 VAL 5 2.664 -14.706 0.625 43 2HG2 VAL 5 2HG2 VAL 5 4.185 -15.377 0.035 44 3HG2 VAL 5 3HG2 VAL 5 3.283 -14.227 -0.955 45 H GLY 6 H GLY 6 1.213 -12.768 -0.217 46 1HA GLY 6 1HA GLY 6 -0.723 -13.669 0.789 47 2HA GLY 6 2HA GLY 6 -0.078 -13.235 2.370 48 H ASP 7 H ASP 7 0.402 -10.752 0.257 49 HA ASP 7 HA ASP 7 -2.095 -9.371 1.141 50 1HB ASP 7 1HB ASP 7 0.761 -8.399 1.147 51 2HB ASP 7 2HB ASP 7 -0.579 -7.265 1.013 52 H TYR 8 H TYR 8 -2.357 -7.308 -0.255 53 HA TYR 8 HA TYR 8 -2.071 -8.266 -3.014 54 1HB TYR 8 1HB TYR 8 -4.235 -6.577 -1.758 55 2HB TYR 8 2HB TYR 8 -4.130 -6.932 -3.482 56 HD1 TYR 8 HD1 TYR 8 -4.389 -9.270 -4.268 57 HD2 TYR 8 HD2 TYR 8 -5.105 -8.188 -0.223 58 HE1 TYR 8 HE1 TYR 8 -5.626 -11.369 -3.940 59 HE2 TYR 8 HE2 TYR 8 -6.348 -10.287 0.116 60 HH TYR 8 HH TYR 8 -6.177 -12.864 -1.974 61 H LEU 9 H LEU 9 -1.599 -6.875 -4.645 62 HA LEU 9 HA LEU 9 -0.084 -4.522 -3.809 63 1HB LEU 9 1HB LEU 9 1.068 -6.308 -5.082 64 2HB LEU 9 2HB LEU 9 -0.043 -6.061 -6.411 65 HG LEU 9 HG LEU 9 1.605 -3.744 -5.492 66 1HD1 LEU 9 1HD1 LEU 9 3.195 -5.597 -5.632 67 2HD1 LEU 9 2HD1 LEU 9 3.431 -4.454 -6.955 68 3HD1 LEU 9 3HD1 LEU 9 2.605 -5.985 -7.250 69 1HD2 LEU 9 1HD2 LEU 9 -0.101 -3.441 -7.225 70 2HD2 LEU 9 2HD2 LEU 9 0.664 -4.697 -8.197 71 3HD2 LEU 9 3HD2 LEU 9 1.521 -3.191 -7.870 72 H VAL 10 H VAL 10 -0.496 -2.559 -4.538 73 HA VAL 10 HA VAL 10 -2.654 -2.108 -6.490 74 HB VAL 10 HB VAL 10 -2.195 -0.682 -3.855 75 1HG1 VAL 10 1HG1 VAL 10 -4.057 0.123 -6.088 76 2HG1 VAL 10 2HG1 VAL 10 -2.612 0.996 -5.574 77 3HG1 VAL 10 3HG1 VAL 10 -3.990 0.852 -4.483 78 1HG2 VAL 10 1HG2 VAL 10 -3.525 -2.685 -3.706 79 2HG2 VAL 10 2HG2 VAL 10 -4.569 -2.116 -5.007 80 3HG2 VAL 10 3HG2 VAL 10 -4.540 -1.263 -3.464 81 H VAL 11 H VAL 11 -2.350 -0.258 -7.797 82 HA VAL 11 HA VAL 11 0.114 1.287 -7.382 83 HB VAL 11 HB VAL 11 -0.857 0.143 -10.015 84 1HG1 VAL 11 1HG1 VAL 11 1.431 2.043 -9.518 85 2HG1 VAL 11 2HG1 VAL 11 -0.075 2.422 -10.355 86 3HG1 VAL 11 3HG1 VAL 11 1.053 1.260 -11.053 87 1HG2 VAL 11 1HG2 VAL 11 1.707 -0.274 -8.488 88 2HG2 VAL 11 2HG2 VAL 11 1.325 -0.957 -10.068 89 3HG2 VAL 11 3HG2 VAL 11 0.391 -1.436 -8.651 90 H LYS 12 H LYS 12 -0.045 3.464 -8.046 91 HA LYS 12 HA LYS 12 -0.942 5.392 -8.856 92 1HB LYS 12 1HB LYS 12 -3.252 3.656 -9.731 93 2HB LYS 12 2HB LYS 12 -3.117 5.375 -10.072 94 1HG LYS 12 1HG LYS 12 -1.219 5.036 -11.453 95 2HG LYS 12 2HG LYS 12 -1.069 3.356 -10.939 96 1HD LYS 12 1HD LYS 12 -2.048 3.298 -13.088 97 2HD LYS 12 2HD LYS 12 -3.351 2.972 -11.950 98 1HE LYS 12 1HE LYS 12 -2.801 5.716 -13.052 99 2HE LYS 12 2HE LYS 12 -3.859 4.565 -13.859 100 1HZ LYS 12 1HZ LYS 12 -5.169 6.027 -12.531 101 2HZ LYS 12 2HZ LYS 12 -4.231 5.734 -11.153 102 3HZ LYS 12 3HZ LYS 12 -5.204 4.495 -11.793 103 H GLY 13 H GLY 13 -1.827 7.010 -7.781 104 1HA GLY 13 1HA GLY 13 -3.408 8.231 -6.661 105 2HA GLY 13 2HA GLY 13 -4.454 6.827 -6.688 106 H THR 14 H THR 14 -1.333 7.649 -5.102 107 HA THR 14 HA THR 14 -2.026 6.212 -2.745 108 HB THR 14 HB THR 14 -0.096 7.505 -1.710 109 HG1 THR 14 HG1 THR 14 0.624 8.255 -4.330 110 1HG2 THR 14 1HG2 THR 14 0.437 5.971 -4.254 111 2HG2 THR 14 2HG2 THR 14 0.171 5.267 -2.659 112 3HG2 THR 14 3HG2 THR 14 1.597 6.260 -2.958 113 H THR 15 H THR 15 -2.821 9.332 -3.904 114 HA THR 15 HA THR 15 -3.335 10.654 -1.458 115 HB THR 15 HB THR 15 -4.900 11.120 -3.991 116 HG1 THR 15 HG1 THR 15 -2.237 12.002 -3.396 117 1HG2 THR 15 1HG2 THR 15 -4.796 13.461 -3.269 118 2HG2 THR 15 2HG2 THR 15 -3.841 12.989 -1.862 119 3HG2 THR 15 3HG2 THR 15 -5.513 12.446 -2.016 120 H THR 16 H THR 16 -4.826 8.061 -3.014 121 HA THR 16 HA THR 16 -6.536 6.710 -2.441 122 HB THR 16 HB THR 16 -7.145 8.616 -0.176 123 HG1 THR 16 HG1 THR 16 -4.991 7.585 -0.212 124 1HG2 THR 16 1HG2 THR 16 -8.282 6.678 0.817 125 2HG2 THR 16 2HG2 THR 16 -7.926 5.730 -0.627 126 3HG2 THR 16 3HG2 THR 16 -9.009 7.118 -0.729 127 H GLU 17 H GLU 17 -7.356 7.331 -4.441 128 HA GLU 17 HA GLU 17 -10.083 8.259 -4.182 129 1HB GLU 17 1HB GLU 17 -8.650 10.270 -4.847 130 2HB GLU 17 2HB GLU 17 -8.307 9.422 -6.345 131 1HG GLU 17 1HG GLU 17 -11.101 10.080 -5.451 132 2HG GLU 17 2HG GLU 17 -10.120 11.178 -6.414 133 H ARG 18 H ARG 18 -7.638 7.465 -6.632 134 HA ARG 18 HA ARG 18 -9.340 5.218 -7.460 135 1HB ARG 18 1HB ARG 18 -8.522 5.555 -9.770 136 2HB ARG 18 2HB ARG 18 -9.430 6.935 -9.171 137 1HG ARG 18 1HG ARG 18 -7.213 8.004 -8.624 138 2HG ARG 18 2HG ARG 18 -6.457 6.692 -9.527 139 1HD ARG 18 1HD ARG 18 -6.666 8.475 -11.051 140 2HD ARG 18 2HD ARG 18 -7.957 7.346 -11.461 141 HE ARG 18 HE ARG 18 -9.061 9.151 -9.680 142 1HH1 ARG 18 1HH1 ARG 18 -7.611 9.257 -12.874 143 2HH1 ARG 18 2HH1 ARG 18 -8.469 10.691 -13.346 144 1HH2 ARG 18 1HH2 ARG 18 -10.171 11.018 -10.299 145 2HH2 ARG 18 2HH2 ARG 18 -9.918 11.702 -11.876 146 H HIS 19 H HIS 19 -8.386 3.489 -6.625 147 HA HIS 19 HA HIS 19 -5.465 3.224 -6.824 148 1HB HIS 19 1HB HIS 19 -7.521 1.897 -5.074 149 2HB HIS 19 2HB HIS 19 -5.952 1.149 -5.337 150 HD1 HIS 19 HD1 HIS 19 -3.891 3.065 -4.826 151 HD2 HIS 19 HD2 HIS 19 -7.523 3.369 -2.827 152 HE1 HIS 19 HE1 HIS 19 -3.394 4.320 -2.708 153 HE2 HIS 19 HE2 HIS 19 -5.550 4.262 -1.405 154 H ASP 20 H ASP 20 -4.774 2.173 -8.567 155 HA ASP 20 HA ASP 20 -6.540 0.141 -9.749 156 1HB ASP 20 1HB ASP 20 -4.433 1.897 -11.019 157 2HB ASP 20 2HB ASP 20 -5.164 0.530 -11.847 158 H GLN 21 H GLN 21 -4.783 -1.044 -11.435 159 HA GLN 21 HA GLN 21 -3.582 -2.966 -11.479 160 1HB GLN 21 1HB GLN 21 -1.569 -1.147 -10.162 161 2HB GLN 21 2HB GLN 21 -1.211 -2.584 -11.115 162 1HG GLN 21 1HG GLN 21 -2.392 -1.474 -13.035 163 2HG GLN 21 2HG GLN 21 -2.434 -0.008 -12.063 164 1HE2 GLN 21 1HE2 GLN 21 0.230 -2.282 -12.066 165 2HE2 GLN 21 2HE2 GLN 21 1.364 -1.238 -12.857 166 H HIS 22 H HIS 22 -4.690 -4.341 -10.159 167 HA HIS 22 HA HIS 22 -3.765 -4.587 -7.366 168 1HB HIS 22 1HB HIS 22 -6.459 -4.669 -8.601 169 2HB HIS 22 2HB HIS 22 -6.149 -5.825 -7.320 170 HD1 HIS 22 HD1 HIS 22 -6.169 -2.081 -7.899 171 HD2 HIS 22 HD2 HIS 22 -6.472 -4.855 -4.824 172 HE1 HIS 22 HE1 HIS 22 -6.906 -0.772 -5.888 173 HE2 HIS 22 HE2 HIS 22 -7.270 -2.508 -4.096 174 H ALA 23 H ALA 23 -3.273 -6.604 -6.605 175 HA ALA 23 HA ALA 23 -4.388 -9.026 -7.616 176 1HB ALA 23 1HB ALA 23 -2.425 -10.085 -8.556 177 2HB ALA 23 2HB ALA 23 -1.503 -8.595 -8.361 178 3HB ALA 23 3HB ALA 23 -2.859 -8.653 -9.488 179 H GLU 24 H GLU 24 -3.049 -10.975 -6.742 180 HA GLU 24 HA GLU 24 -2.305 -10.259 -3.995 181 1HB GLU 24 1HB GLU 24 -3.979 -12.028 -4.178 182 2HB GLU 24 2HB GLU 24 -2.892 -12.979 -5.184 183 1HG GLU 24 1HG GLU 24 -1.354 -13.252 -3.352 184 2HG GLU 24 2HG GLU 24 -2.305 -12.170 -2.341 185 H ILE 25 H ILE 25 -0.323 -10.252 -3.321 186 HA ILE 25 HA ILE 25 1.819 -11.224 -5.028 187 HB ILE 25 HB ILE 25 2.113 -9.964 -2.299 188 1HG1 ILE 25 1HG1 ILE 25 2.041 -8.535 -4.969 189 2HG1 ILE 25 2HG1 ILE 25 0.751 -8.489 -3.772 190 1HG2 ILE 25 1HG2 ILE 25 4.076 -11.079 -3.219 191 2HG2 ILE 25 2HG2 ILE 25 4.314 -9.333 -3.146 192 3HG2 ILE 25 3HG2 ILE 25 3.950 -10.109 -4.687 193 1HD1 ILE 25 1HD1 ILE 25 3.555 -7.469 -3.373 194 2HD1 ILE 25 2HD1 ILE 25 2.251 -7.408 -2.187 195 3HD1 ILE 25 3HD1 ILE 25 2.124 -6.484 -3.684 196 H ILE 26 H ILE 26 1.954 -13.390 -4.919 197 HA ILE 26 HA ILE 26 2.031 -14.664 -2.272 198 HB ILE 26 HB ILE 26 1.558 -16.762 -3.266 199 1HG1 ILE 26 1HG1 ILE 26 3.022 -16.519 -5.284 200 2HG1 ILE 26 2HG1 ILE 26 1.443 -17.195 -5.656 201 1HG2 ILE 26 1HG2 ILE 26 -0.573 -16.345 -4.460 202 2HG2 ILE 26 2HG2 ILE 26 -0.131 -14.646 -4.623 203 3HG2 ILE 26 3HG2 ILE 26 -0.397 -15.337 -3.023 204 1HD1 ILE 26 1HD1 ILE 26 2.164 -15.609 -7.344 205 2HD1 ILE 26 2HD1 ILE 26 2.290 -14.348 -6.117 206 3HD1 ILE 26 3HD1 ILE 26 0.717 -15.040 -6.513 207 H GLU 27 H GLU 27 3.912 -13.758 -4.956 208 HA GLU 27 HA GLU 27 6.258 -15.047 -3.764 209 1HB GLU 27 1HB GLU 27 5.457 -15.032 -6.669 210 2HB GLU 27 2HB GLU 27 7.124 -15.272 -6.168 211 1HG GLU 27 1HG GLU 27 4.821 -17.001 -5.297 212 2HG GLU 27 2HG GLU 27 5.892 -17.365 -6.649 213 H VAL 28 H VAL 28 7.458 -13.435 -3.046 214 HA VAL 28 HA VAL 28 7.386 -10.878 -4.472 215 HB VAL 28 HB VAL 28 8.601 -11.477 -1.769 216 1HG1 VAL 28 1HG1 VAL 28 7.914 -8.865 -3.111 217 2HG1 VAL 28 2HG1 VAL 28 9.535 -9.504 -2.843 218 3HG1 VAL 28 3HG1 VAL 28 8.529 -9.046 -1.469 219 1HG2 VAL 28 1HG2 VAL 28 6.601 -10.440 -0.818 220 2HG2 VAL 28 2HG2 VAL 28 6.201 -11.893 -1.732 221 3HG2 VAL 28 3HG2 VAL 28 5.904 -10.301 -2.431 222 H ARG 29 H ARG 29 8.958 -10.528 -5.909 223 HA ARG 29 HA ARG 29 11.442 -12.031 -5.759 224 1HB ARG 29 1HB ARG 29 9.981 -10.555 -7.847 225 2HB ARG 29 2HB ARG 29 11.730 -10.413 -7.933 226 1HG ARG 29 1HG ARG 29 10.274 -13.046 -7.805 227 2HG ARG 29 2HG ARG 29 10.736 -12.250 -9.309 228 1HD ARG 29 1HD ARG 29 12.457 -13.793 -8.893 229 2HD ARG 29 2HD ARG 29 13.110 -12.238 -8.392 230 HE ARG 29 HE ARG 29 12.131 -14.327 -6.550 231 1HH1 ARG 29 1HH1 ARG 29 14.228 -11.607 -7.263 232 2HH1 ARG 29 2HH1 ARG 29 15.019 -11.653 -5.714 233 1HH2 ARG 29 1HH2 ARG 29 13.198 -14.419 -4.545 234 2HH2 ARG 29 2HH2 ARG 29 14.442 -13.262 -4.175 235 H SER 30 H SER 30 10.909 -10.023 -3.762 236 HA SER 30 HA SER 30 13.405 -8.573 -4.025 237 1HB SER 30 1HB SER 30 11.703 -7.005 -4.923 238 2HB SER 30 2HB SER 30 10.798 -7.144 -3.418 239 HG SER 30 HG SER 30 12.974 -5.614 -4.005 240 H ALA 31 H ALA 31 14.296 -8.027 -2.008 241 HA ALA 31 HA ALA 31 13.208 -9.547 0.214 242 1HB ALA 31 1HB ALA 31 15.272 -8.946 1.364 243 2HB ALA 31 2HB ALA 31 15.702 -7.853 0.049 244 3HB ALA 31 3HB ALA 31 15.615 -9.591 -0.240 245 H ASP 32 H ASP 32 12.941 -6.429 -1.017 246 HA ASP 32 HA ASP 32 11.956 -5.431 1.562 247 1HB ASP 32 1HB ASP 32 14.072 -4.372 1.331 248 2HB ASP 32 2HB ASP 32 13.792 -4.019 -0.370 249 H GLY 33 H GLY 33 12.127 -4.170 -1.786 250 1HA GLY 33 1HA GLY 33 9.395 -4.411 -2.346 251 2HA GLY 33 2HA GLY 33 9.649 -2.849 -1.585 252 H SER 34 H SER 34 10.757 -4.885 -4.244 253 HA SER 34 HA SER 34 10.771 -2.550 -5.966 254 1HB SER 34 1HB SER 34 13.021 -3.212 -6.894 255 2HB SER 34 2HB SER 34 13.067 -2.567 -5.254 256 HG SER 34 HG SER 34 13.723 -5.066 -6.188 257 HA PRO 35 HA PRO 35 8.831 -5.555 -8.647 258 1HB PRO 35 1HB PRO 35 9.632 -3.663 -10.780 259 2HB PRO 35 2HB PRO 35 8.025 -4.261 -10.353 260 1HG PRO 35 1HG PRO 35 8.756 -1.754 -9.790 261 2HG PRO 35 2HG PRO 35 7.741 -2.688 -8.677 262 1HD PRO 35 1HD PRO 35 10.670 -2.085 -8.520 263 2HD PRO 35 2HD PRO 35 9.452 -2.110 -7.227 264 HA PRO 36 HA PRO 36 8.333 -6.336 -10.725 265 1HB PRO 36 1HB PRO 36 8.343 -8.721 -11.914 266 2HB PRO 36 2HB PRO 36 8.973 -7.289 -12.735 267 1HG PRO 36 1HG PRO 36 10.452 -9.509 -11.396 268 2HG PRO 36 2HG PRO 36 10.841 -8.641 -12.891 269 1HD PRO 36 1HD PRO 36 11.956 -8.129 -10.392 270 2HD PRO 36 2HD PRO 36 11.968 -7.015 -11.772 271 H TYR 37 H TYR 37 6.733 -8.208 -10.368 272 HA TYR 37 HA TYR 37 7.412 -9.779 -7.968 273 1HB TYR 37 1HB TYR 37 4.905 -8.135 -8.397 274 2HB TYR 37 2HB TYR 37 5.117 -9.310 -7.103 275 HD1 TYR 37 HD1 TYR 37 5.719 -5.931 -8.185 276 HD2 TYR 37 HD2 TYR 37 6.895 -8.896 -5.370 277 HE1 TYR 37 HE1 TYR 37 6.701 -4.183 -6.760 278 HE2 TYR 37 HE2 TYR 37 7.878 -7.159 -3.940 279 HH TYR 37 HH TYR 37 7.307 -3.839 -4.420 280 H VAL 38 H VAL 38 6.228 -11.746 -7.773 281 HA VAL 38 HA VAL 38 4.880 -12.553 -10.249 282 HB VAL 38 HB VAL 38 5.748 -14.289 -7.920 283 1HG1 VAL 38 1HG1 VAL 38 4.574 -15.018 -10.607 284 2HG1 VAL 38 2HG1 VAL 38 3.791 -15.198 -9.038 285 3HG1 VAL 38 3HG1 VAL 38 5.210 -16.167 -9.429 286 1HG2 VAL 38 1HG2 VAL 38 7.453 -15.144 -9.452 287 2HG2 VAL 38 2HG2 VAL 38 7.647 -13.410 -9.188 288 3HG2 VAL 38 3HG2 VAL 38 6.923 -14.000 -10.684 289 H VAL 39 H VAL 39 2.774 -12.580 -10.304 290 HA VAL 39 HA VAL 39 1.381 -12.044 -7.779 291 HB VAL 39 HB VAL 39 1.995 -10.232 -9.844 292 1HG1 VAL 39 1HG1 VAL 39 -0.965 -10.775 -9.771 293 2HG1 VAL 39 2HG1 VAL 39 0.114 -11.039 -11.141 294 3HG1 VAL 39 3HG1 VAL 39 -0.186 -9.402 -10.557 295 1HG2 VAL 39 1HG2 VAL 39 1.851 -9.682 -7.503 296 2HG2 VAL 39 2HG2 VAL 39 0.113 -9.978 -7.510 297 3HG2 VAL 39 3HG2 VAL 39 0.782 -8.635 -8.437 298 H ARG 40 H ARG 40 -0.750 -12.694 -7.660 299 HA ARG 40 HA ARG 40 -1.709 -14.341 -9.906 300 1HB ARG 40 1HB ARG 40 -2.187 -14.612 -6.946 301 2HB ARG 40 2HB ARG 40 -3.158 -15.446 -8.145 302 1HG ARG 40 1HG ARG 40 -1.113 -16.565 -8.960 303 2HG ARG 40 2HG ARG 40 -0.213 -15.791 -7.650 304 1HD ARG 40 1HD ARG 40 -1.732 -16.839 -6.024 305 2HD ARG 40 2HD ARG 40 -2.563 -17.654 -7.345 306 HE ARG 40 HE ARG 40 0.059 -18.397 -7.616 307 1HH1 ARG 40 1HH1 ARG 40 -2.350 -18.547 -5.075 308 2HH1 ARG 40 2HH1 ARG 40 -1.694 -19.993 -4.360 309 1HH2 ARG 40 1HH2 ARG 40 0.923 -20.295 -6.692 310 2HH2 ARG 40 2HH2 ARG 40 0.176 -20.995 -5.285 311 H TRP 41 H TRP 41 -3.512 -13.705 -10.873 312 HA TRP 41 HA TRP 41 -5.213 -11.674 -9.681 313 1HB TRP 41 1HB TRP 41 -5.963 -13.271 -12.113 314 2HB TRP 41 2HB TRP 41 -6.354 -11.602 -11.729 315 HD1 TRP 41 HD1 TRP 41 -4.271 -13.547 -13.973 316 HE1 TRP 41 HE1 TRP 41 -2.412 -12.109 -15.020 317 HE3 TRP 41 HE3 TRP 41 -4.493 -9.507 -10.846 318 HZ2 TRP 41 HZ2 TRP 41 -1.200 -9.609 -14.580 319 HZ3 TRP 41 HZ3 TRP 41 -2.946 -7.637 -11.231 320 HH2 TRP 41 HH2 TRP 41 -1.332 -7.689 -13.061 321 H LEU 42 H LEU 42 -6.390 -12.475 -7.974 322 HA LEU 42 HA LEU 42 -7.083 -15.301 -7.931 323 1HB LEU 42 1HB LEU 42 -7.963 -13.242 -5.931 324 2HB LEU 42 2HB LEU 42 -7.796 -14.969 -5.702 325 HG LEU 42 HG LEU 42 -5.620 -12.909 -5.884 326 1HD1 LEU 42 1HD1 LEU 42 -6.697 -13.185 -3.733 327 2HD1 LEU 42 2HD1 LEU 42 -5.049 -13.812 -3.690 328 3HD1 LEU 42 3HD1 LEU 42 -6.411 -14.925 -3.795 329 1HD2 LEU 42 1HD2 LEU 42 -5.326 -15.911 -5.899 330 2HD2 LEU 42 2HD2 LEU 42 -4.015 -14.745 -5.710 331 3HD2 LEU 42 3HD2 LEU 42 -4.923 -14.817 -7.221 332 H VAL 43 H VAL 43 -8.845 -12.245 -7.646 333 HA VAL 43 HA VAL 43 -11.386 -13.520 -7.929 334 HB VAL 43 HB VAL 43 -12.112 -11.044 -8.158 335 1HG1 VAL 43 1HG1 VAL 43 -11.963 -10.765 -5.729 336 2HG1 VAL 43 2HG1 VAL 43 -10.775 -12.065 -5.666 337 3HG1 VAL 43 3HG1 VAL 43 -12.430 -12.411 -6.165 338 1HG2 VAL 43 1HG2 VAL 43 -10.529 -9.444 -7.204 339 2HG2 VAL 43 2HG2 VAL 43 -9.909 -10.138 -8.701 340 3HG2 VAL 43 3HG2 VAL 43 -9.297 -10.704 -7.147 341 H ASN 44 H ASN 44 -8.988 -12.692 -10.043 342 HA ASN 44 HA ASN 44 -10.845 -12.435 -12.274 343 1HB ASN 44 1HB ASN 44 -7.836 -12.115 -12.188 344 2HB ASN 44 2HB ASN 44 -8.810 -11.968 -13.646 345 1HD2 ASN 44 1HD2 ASN 44 -7.906 -10.491 -10.642 346 2HD2 ASN 44 2HD2 ASN 44 -8.602 -8.943 -10.965 347 H GLY 45 H GLY 45 -7.783 -14.217 -11.697 348 1HA GLY 45 1HA GLY 45 -8.079 -16.664 -11.403 349 2HA GLY 45 2HA GLY 45 -9.149 -16.596 -12.788 350 H HIS 46 H HIS 46 -5.766 -15.736 -11.931 351 HA HIS 46 HA HIS 46 -4.646 -17.646 -13.634 352 1HB HIS 46 1HB HIS 46 -5.618 -15.954 -15.331 353 2HB HIS 46 2HB HIS 46 -4.278 -14.922 -14.857 354 HD1 HIS 46 HD1 HIS 46 -4.776 -18.496 -16.093 355 HD2 HIS 46 HD2 HIS 46 -2.084 -15.335 -16.404 356 HE1 HIS 46 HE1 HIS 46 -2.999 -19.269 -17.693 357 HE2 HIS 46 HE2 HIS 46 -1.463 -17.294 -17.983 358 H GLU 47 H GLU 47 -2.323 -17.561 -13.693 359 HA GLU 47 HA GLU 47 -1.181 -15.781 -11.633 360 1HB GLU 47 1HB GLU 47 -0.190 -18.477 -12.594 361 2HB GLU 47 2HB GLU 47 0.621 -17.470 -11.406 362 1HG GLU 47 1HG GLU 47 -0.510 -19.153 -10.212 363 2HG GLU 47 2HG GLU 47 -1.434 -17.671 -9.981 364 H THR 48 H THR 48 0.876 -14.796 -12.044 365 HA THR 48 HA THR 48 2.334 -15.160 -14.433 366 HB THR 48 HB THR 48 0.330 -14.137 -15.422 367 HG1 THR 48 HG1 THR 48 1.626 -13.298 -16.836 368 1HG2 THR 48 1HG2 THR 48 1.084 -11.714 -13.798 369 2HG2 THR 48 2HG2 THR 48 -0.369 -12.692 -13.592 370 3HG2 THR 48 3HG2 THR 48 -0.142 -11.751 -15.067 371 H THR 49 H THR 49 3.637 -13.062 -14.890 372 HA THR 49 HA THR 49 4.544 -11.931 -12.313 373 HB THR 49 HB THR 49 6.278 -12.537 -14.726 374 HG1 THR 49 HG1 THR 49 5.358 -14.198 -12.921 375 1HG2 THR 49 1HG2 THR 49 7.079 -10.640 -13.395 376 2HG2 THR 49 2HG2 THR 49 8.148 -12.033 -13.227 377 3HG2 THR 49 3HG2 THR 49 7.013 -11.631 -11.937 378 H VAL 50 H VAL 50 4.450 -9.732 -12.224 379 HA VAL 50 HA VAL 50 4.034 -8.321 -14.780 380 HB VAL 50 HB VAL 50 2.341 -6.892 -13.677 381 1HG1 VAL 50 1HG1 VAL 50 0.523 -8.528 -13.733 382 2HG1 VAL 50 2HG1 VAL 50 1.702 -9.839 -13.672 383 3HG1 VAL 50 3HG1 VAL 50 1.649 -8.766 -15.070 384 1HG2 VAL 50 1HG2 VAL 50 3.020 -7.210 -11.359 385 2HG2 VAL 50 2HG2 VAL 50 2.542 -8.906 -11.437 386 3HG2 VAL 50 3HG2 VAL 50 1.322 -7.638 -11.573 387 H TYR 51 H TYR 51 4.401 -6.050 -14.754 388 HA TYR 51 HA TYR 51 6.225 -5.128 -12.635 389 1HB TYR 51 1HB TYR 51 5.934 -4.095 -15.469 390 2HB TYR 51 2HB TYR 51 7.062 -3.485 -14.265 391 HD1 TYR 51 HD1 TYR 51 9.061 -4.747 -13.685 392 HD2 TYR 51 HD2 TYR 51 6.333 -6.187 -16.609 393 HE1 TYR 51 HE1 TYR 51 10.754 -6.349 -14.469 394 HE2 TYR 51 HE2 TYR 51 8.013 -7.794 -17.397 395 HH TYR 51 HH TYR 51 10.399 -8.105 -17.391 396 HA PRO 52 HA PRO 52 2.610 -2.471 -11.790 397 1HB PRO 52 1HB PRO 52 4.072 -1.898 -9.314 398 2HB PRO 52 2HB PRO 52 2.492 -2.653 -9.525 399 1HG PRO 52 1HG PRO 52 4.651 -4.026 -8.653 400 2HG PRO 52 2HG PRO 52 3.372 -4.776 -9.626 401 1HD PRO 52 1HD PRO 52 6.072 -3.792 -10.478 402 2HD PRO 52 2HD PRO 52 5.212 -5.276 -10.946 403 H GLY 53 H GLY 53 2.733 -0.108 -10.708 404 1HA GLY 53 1HA GLY 53 5.010 1.267 -11.991 405 2HA GLY 53 2HA GLY 53 3.359 1.842 -12.154 406 H SER 54 H SER 54 3.993 3.849 -11.317 407 HA SER 54 HA SER 54 5.219 4.139 -8.764 408 1HB SER 54 1HB SER 54 5.426 5.884 -10.460 409 2HB SER 54 2HB SER 54 3.681 6.122 -10.464 410 HG SER 54 HG SER 54 3.772 7.091 -8.528 411 H ASP 55 H ASP 55 4.260 5.080 -6.868 412 HA ASP 55 HA ASP 55 2.706 5.343 -5.240 413 1HB ASP 55 1HB ASP 55 0.817 5.449 -7.602 414 2HB ASP 55 2HB ASP 55 0.312 5.733 -5.939 415 H ALA 56 H ALA 56 3.608 2.773 -5.841 416 HA ALA 56 HA ALA 56 1.406 0.940 -5.865 417 1HB ALA 56 1HB ALA 56 3.584 0.337 -6.815 418 2HB ALA 56 2HB ALA 56 3.081 -0.791 -5.554 419 3HB ALA 56 3HB ALA 56 4.304 0.432 -5.207 420 H VAL 57 H VAL 57 0.319 0.115 -4.217 421 HA VAL 57 HA VAL 57 1.229 0.664 -1.465 422 HB VAL 57 HB VAL 57 -1.669 0.749 -2.328 423 1HG1 VAL 57 1HG1 VAL 57 -1.294 0.323 0.043 424 2HG1 VAL 57 2HG1 VAL 57 -2.007 1.917 -0.204 425 3HG1 VAL 57 3HG1 VAL 57 -0.287 1.767 0.152 426 1HG2 VAL 57 1HG2 VAL 57 -0.506 2.528 -3.508 427 2HG2 VAL 57 2HG2 VAL 57 0.209 3.086 -1.995 428 3HG2 VAL 57 3HG2 VAL 57 -1.534 3.197 -2.239 429 H VAL 58 H VAL 58 0.134 -0.819 0.144 430 HA VAL 58 HA VAL 58 -0.351 -3.467 -1.064 431 HB VAL 58 HB VAL 58 0.792 -2.866 1.673 432 1HG1 VAL 58 1HG1 VAL 58 0.444 -5.484 0.217 433 2HG1 VAL 58 2HG1 VAL 58 -0.471 -4.943 1.625 434 3HG1 VAL 58 3HG1 VAL 58 1.257 -5.268 1.768 435 1HG2 VAL 58 1HG2 VAL 58 2.164 -3.888 -0.810 436 2HG2 VAL 58 2HG2 VAL 58 2.903 -3.725 0.782 437 3HG2 VAL 58 3HG2 VAL 58 2.368 -2.291 -0.094 438 H VAL 59 H VAL 59 -2.395 -4.166 -0.852 439 HA VAL 59 HA VAL 59 -4.040 -3.158 1.342 440 HB VAL 59 HB VAL 59 -5.884 -3.938 -0.235 441 1HG1 VAL 59 1HG1 VAL 59 -5.883 -1.803 -1.450 442 2HG1 VAL 59 2HG1 VAL 59 -4.216 -1.545 -0.931 443 3HG1 VAL 59 3HG1 VAL 59 -5.512 -1.609 0.263 444 1HG2 VAL 59 1HG2 VAL 59 -4.536 -5.185 -1.789 445 2HG2 VAL 59 2HG2 VAL 59 -3.641 -3.724 -2.201 446 3HG2 VAL 59 3HG2 VAL 59 -5.350 -3.856 -2.616 447 H THR 60 H THR 60 -5.990 -4.713 1.624 448 HA THR 60 HA THR 60 -4.965 -7.465 1.917 449 HB THR 60 HB THR 60 -6.566 -7.560 3.911 450 HG1 THR 60 HG1 THR 60 -7.784 -5.839 4.094 451 1HG2 THR 60 1HG2 THR 60 -4.977 -6.452 5.418 452 2HG2 THR 60 2HG2 THR 60 -4.224 -5.658 4.034 453 3HG2 THR 60 3HG2 THR 60 -4.151 -7.413 4.192 454 H ALA 61 H ALA 61 -7.294 -8.689 2.726 455 HA ALA 61 HA ALA 61 -8.237 -9.678 0.387 456 1HB ALA 61 1HB ALA 61 -9.976 -10.765 1.660 457 2HB ALA 61 2HB ALA 61 -9.747 -9.625 2.986 458 3HB ALA 61 3HB ALA 61 -8.461 -10.756 2.562 459 H THR 62 H THR 62 -9.962 -7.127 2.271 460 HA THR 62 HA THR 62 -12.266 -7.343 0.600 461 HB THR 62 HB THR 62 -12.673 -4.965 1.676 462 HG1 THR 62 HG1 THR 62 -10.922 -4.509 2.811 463 1HG2 THR 62 1HG2 THR 62 -13.743 -6.107 3.562 464 2HG2 THR 62 2HG2 THR 62 -12.855 -7.574 3.152 465 3HG2 THR 62 3HG2 THR 62 -14.047 -6.922 2.028 466 H GLU 63 H GLU 63 -9.521 -5.195 0.718 467 HA GLU 63 HA GLU 63 -10.418 -3.367 -1.247 468 1HB GLU 63 1HB GLU 63 -7.507 -3.911 -0.886 469 2HB GLU 63 2HB GLU 63 -8.344 -2.375 -1.037 470 1HG GLU 63 1HG GLU 63 -8.237 -4.137 1.401 471 2HG GLU 63 2HG GLU 63 -7.413 -2.600 1.169 472 H HIS 64 H HIS 64 -9.310 -6.533 -1.326 473 HA HIS 64 HA HIS 64 -8.136 -6.475 -3.936 474 1HB HIS 64 1HB HIS 64 -7.082 -8.210 -3.048 475 2HB HIS 64 2HB HIS 64 -8.200 -8.264 -1.699 476 HD1 HIS 64 HD1 HIS 64 -7.469 -9.873 -5.013 477 HD2 HIS 64 HD2 HIS 64 -10.144 -10.266 -1.837 478 HE1 HIS 64 HE1 HIS 64 -8.598 -12.098 -5.331 479 HE2 HIS 64 HE2 HIS 64 -10.138 -12.364 -3.353 480 H ALA 65 H ALA 65 -11.375 -7.480 -2.717 481 HA ALA 65 HA ALA 65 -11.854 -9.336 -4.767 482 1HB ALA 65 1HB ALA 65 -13.901 -7.688 -3.291 483 2HB ALA 65 2HB ALA 65 -13.183 -9.188 -2.703 484 3HB ALA 65 3HB ALA 65 -14.190 -9.200 -4.150 485 H GLU 66 H GLU 66 -13.499 -6.261 -4.483 486 HA GLU 66 HA GLU 66 -14.393 -6.227 -7.171 487 1HB GLU 66 1HB GLU 66 -14.847 -3.731 -6.456 488 2HB GLU 66 2HB GLU 66 -15.774 -5.050 -5.752 489 1HG GLU 66 1HG GLU 66 -14.222 -5.059 -3.818 490 2HG GLU 66 2HG GLU 66 -13.405 -3.658 -4.508 491 H ALA 67 H ALA 67 -11.880 -4.422 -5.473 492 HA ALA 67 HA ALA 67 -11.243 -2.755 -7.653 493 1HB ALA 67 1HB ALA 67 -9.599 -3.381 -5.213 494 2HB ALA 67 2HB ALA 67 -10.823 -2.118 -5.340 495 3HB ALA 67 3HB ALA 67 -9.357 -2.026 -6.315 496 H GLU 68 H GLU 68 -10.009 -5.921 -6.655 497 HA GLU 68 HA GLU 68 -7.717 -5.731 -8.383 498 1HB GLU 68 1HB GLU 68 -7.650 -7.195 -6.421 499 2HB GLU 68 2HB GLU 68 -8.931 -8.181 -7.106 500 1HG GLU 68 1HG GLU 68 -7.389 -8.649 -9.036 501 2HG GLU 68 2HG GLU 68 -6.115 -7.864 -8.099 502 H LYS 69 H LYS 69 -10.988 -7.092 -8.653 503 HA LYS 69 HA LYS 69 -10.678 -8.316 -11.133 504 1HB LYS 69 1HB LYS 69 -13.006 -6.673 -10.122 505 2HB LYS 69 2HB LYS 69 -13.059 -7.695 -11.555 506 1HG LYS 69 1HG LYS 69 -12.595 -9.655 -10.193 507 2HG LYS 69 2HG LYS 69 -12.504 -8.641 -8.751 508 1HD LYS 69 1HD LYS 69 -14.839 -7.981 -9.081 509 2HD LYS 69 2HD LYS 69 -14.923 -9.013 -10.510 510 1HE LYS 69 1HE LYS 69 -14.431 -10.969 -9.120 511 2HE LYS 69 2HE LYS 69 -14.356 -9.934 -7.694 512 1HZ LYS 69 1HZ LYS 69 -16.667 -9.374 -7.994 513 2HZ LYS 69 2HZ LYS 69 -16.498 -11.061 -7.925 514 3HZ LYS 69 3HZ LYS 69 -16.748 -10.292 -9.417 515 H ARG 70 H ARG 70 -11.700 -4.931 -10.596 516 HA ARG 70 HA ARG 70 -11.521 -4.260 -13.355 517 1HB ARG 70 1HB ARG 70 -11.349 -2.325 -11.045 518 2HB ARG 70 2HB ARG 70 -11.899 -1.988 -12.680 519 1HG ARG 70 1HG ARG 70 -13.801 -3.550 -12.283 520 2HG ARG 70 2HG ARG 70 -13.281 -3.664 -10.599 521 1HD ARG 70 1HD ARG 70 -14.219 -1.210 -12.073 522 2HD ARG 70 2HD ARG 70 -15.026 -2.032 -10.740 523 HE ARG 70 HE ARG 70 -12.378 -1.011 -10.139 524 1HH1 ARG 70 1HH1 ARG 70 -15.836 -0.396 -10.113 525 2HH1 ARG 70 2HH1 ARG 70 -15.729 0.868 -8.918 526 1HH2 ARG 70 1HH2 ARG 70 -12.232 0.655 -8.583 527 2HH2 ARG 70 2HH2 ARG 70 -13.670 1.496 -8.073 528 H ALA 71 H ALA 71 -9.288 -3.799 -10.654 529 HA ALA 71 HA ALA 71 -7.507 -2.181 -12.210 530 1HB ALA 71 1HB ALA 71 -7.834 -1.781 -9.828 531 2HB ALA 71 2HB ALA 71 -6.140 -2.067 -10.230 532 3HB ALA 71 3HB ALA 71 -7.094 -3.341 -9.470 533 H ALA 72 H ALA 72 -7.766 -5.600 -11.661 534 HA ALA 72 HA ALA 72 -5.040 -6.124 -12.441 535 1HB ALA 72 1HB ALA 72 -7.412 -7.989 -12.510 536 2HB ALA 72 2HB ALA 72 -6.272 -7.817 -11.174 537 3HB ALA 72 3HB ALA 72 -5.723 -8.446 -12.728 538 H ALA 73 H ALA 73 -8.209 -5.967 -14.022 539 HA ALA 73 HA ALA 73 -7.345 -6.446 -16.640 540 1HB ALA 73 1HB ALA 73 -9.701 -6.211 -16.030 541 2HB ALA 73 2HB ALA 73 -9.273 -5.131 -17.357 542 3HB ALA 73 3HB ALA 73 -9.451 -4.494 -15.722 543 H ARG 74 H ARG 74 -7.005 -3.627 -14.587 544 HA ARG 74 HA ARG 74 -5.863 -1.917 -16.585 545 1HB ARG 74 1HB ARG 74 -5.598 -1.819 -13.573 546 2HB ARG 74 2HB ARG 74 -5.173 -0.520 -14.677 547 1HG ARG 74 1HG ARG 74 -7.954 -1.626 -14.604 548 2HG ARG 74 2HG ARG 74 -7.422 -0.416 -13.437 549 1HD ARG 74 1HD ARG 74 -6.700 0.316 -16.145 550 2HD ARG 74 2HD ARG 74 -8.436 0.052 -15.982 551 HE ARG 74 HE ARG 74 -7.668 1.616 -13.817 552 1HH1 ARG 74 1HH1 ARG 74 -7.669 1.899 -17.312 553 2HH1 ARG 74 2HH1 ARG 74 -7.896 3.616 -17.302 554 1HH2 ARG 74 1HH2 ARG 74 -8.007 3.878 -13.803 555 2HH2 ARG 74 2HH2 ARG 74 -8.086 4.749 -15.309 556 H ALA 75 H ALA 75 -4.364 -3.651 -13.847 557 HA ALA 75 HA ALA 75 -1.664 -3.049 -14.385 558 1HB ALA 75 1HB ALA 75 -2.525 -3.892 -12.244 559 2HB ALA 75 2HB ALA 75 -1.148 -4.822 -12.833 560 3HB ALA 75 3HB ALA 75 -2.780 -5.474 -12.978 561 H GLY 76 H GLY 76 -3.317 -6.189 -14.915 562 1HA GLY 76 1HA GLY 76 -0.973 -7.137 -16.336 563 2HA GLY 76 2HA GLY 76 -2.371 -8.091 -15.881 564 H HIS 77 H HIS 77 -2.698 -5.079 -17.572 565 HA HIS 77 HA HIS 77 -3.879 -6.439 -19.842 566 1HB HIS 77 1HB HIS 77 -4.538 -4.130 -18.703 567 2HB HIS 77 2HB HIS 77 -3.334 -3.497 -19.817 568 HD1 HIS 77 HD1 HIS 77 -6.807 -3.998 -19.593 569 HD2 HIS 77 HD2 HIS 77 -4.010 -4.528 -22.624 570 HE1 HIS 77 HE1 HIS 77 -8.126 -4.020 -21.734 571 HE2 HIS 77 HE2 HIS 77 -6.400 -4.191 -23.564 572 H ALA 78 H ALA 78 -0.912 -5.045 -18.860 573 HA ALA 78 HA ALA 78 0.405 -5.908 -21.283 574 1HB ALA 78 1HB ALA 78 1.496 -3.745 -21.690 575 2HB ALA 78 2HB ALA 78 0.514 -3.013 -20.420 576 3HB ALA 78 3HB ALA 78 -0.253 -3.631 -21.883 577 H ALA 79 H ALA 79 2.892 -5.044 -20.930 578 HA ALA 79 HA ALA 79 4.812 -5.228 -19.733 579 1HB ALA 79 1HB ALA 79 4.841 -4.607 -17.389 580 2HB ALA 79 2HB ALA 79 3.085 -4.756 -17.305 581 3HB ALA 79 3HB ALA 79 3.817 -3.497 -18.301 582 H THR 80 H THR 80 2.638 -7.493 -19.908 583 HA THR 80 HA THR 80 3.803 -9.312 -17.944 584 HB THR 80 HB THR 80 2.041 -10.906 -18.825 585 HG1 THR 80 HG1 THR 80 1.829 -9.441 -20.809 586 1HG2 THR 80 1HG2 THR 80 0.190 -9.801 -17.646 587 2HG2 THR 80 2HG2 THR 80 1.082 -8.280 -17.680 588 3HG2 THR 80 3HG2 THR 80 1.705 -9.647 -16.756 Start of MODEL 2 1 H MET 1 H MET 1 9.136 0.328 -2.728 2 HA MET 1 HA MET 1 6.792 0.283 -0.927 3 1HB MET 1 1HB MET 1 6.318 0.130 -3.367 4 2HB MET 1 2HB MET 1 7.387 -1.261 -3.467 5 1HG MET 1 1HG MET 1 5.905 -2.429 -1.845 6 2HG MET 1 2HG MET 1 4.795 -1.066 -1.953 7 1HE MET 1 1HE MET 1 4.083 -4.172 -2.523 8 2HE MET 1 2HE MET 1 3.008 -3.980 -3.907 9 3HE MET 1 3HE MET 1 2.899 -2.865 -2.545 10 H HIS 2 H HIS 2 6.343 -1.851 -0.065 11 HA HIS 2 HA HIS 2 8.576 -3.724 0.087 12 1HB HIS 2 1HB HIS 2 7.306 -2.315 2.400 13 2HB HIS 2 2HB HIS 2 7.781 -4.000 2.604 14 HD1 HIS 2 HD1 HIS 2 10.222 -4.465 2.996 15 HD2 HIS 2 HD2 HIS 2 9.516 -0.549 1.795 16 HE1 HIS 2 HE1 HIS 2 12.429 -3.284 3.216 17 HE2 HIS 2 HE2 HIS 2 12.026 -0.976 2.284 18 H ALA 3 H ALA 3 7.869 -5.918 0.390 19 HA ALA 3 HA ALA 3 4.996 -6.254 -0.089 20 1HB ALA 3 1HB ALA 3 6.043 -5.885 -2.275 21 2HB ALA 3 2HB ALA 3 5.370 -7.509 -2.128 22 3HB ALA 3 3HB ALA 3 7.110 -7.261 -1.987 23 H LYS 4 H LYS 4 4.173 -8.172 0.381 24 HA LYS 4 HA LYS 4 5.849 -10.258 1.530 25 1HB LYS 4 1HB LYS 4 4.127 -10.303 3.474 26 2HB LYS 4 2HB LYS 4 5.431 -9.129 3.520 27 1HG LYS 4 1HG LYS 4 2.863 -8.288 2.294 28 2HG LYS 4 2HG LYS 4 2.925 -8.480 4.046 29 1HD LYS 4 1HD LYS 4 4.697 -6.888 4.233 30 2HD LYS 4 2HD LYS 4 4.902 -6.829 2.482 31 1HE LYS 4 1HE LYS 4 3.688 -4.873 3.450 32 2HE LYS 4 2HE LYS 4 2.798 -5.740 2.201 33 1HZ LYS 4 1HZ LYS 4 1.436 -6.772 3.832 34 2HZ LYS 4 2HZ LYS 4 1.463 -5.119 4.186 35 3HZ LYS 4 3HZ LYS 4 2.397 -6.194 5.108 36 H VAL 5 H VAL 5 4.955 -12.304 1.335 37 HA VAL 5 HA VAL 5 2.878 -12.656 -0.578 38 HB VAL 5 HB VAL 5 4.625 -14.335 -0.280 39 1HG1 VAL 5 1HG1 VAL 5 4.701 -15.793 1.697 40 2HG1 VAL 5 2HG1 VAL 5 3.466 -14.794 2.464 41 3HG1 VAL 5 3HG1 VAL 5 5.045 -14.107 2.085 42 1HG2 VAL 5 1HG2 VAL 5 3.288 -16.378 -0.190 43 2HG2 VAL 5 2HG2 VAL 5 2.499 -15.131 -1.154 44 3HG2 VAL 5 3HG2 VAL 5 1.937 -15.466 0.484 45 H GLY 6 H GLY 6 0.725 -13.541 -0.268 46 1HA GLY 6 1HA GLY 6 -1.322 -13.790 0.840 47 2HA GLY 6 2HA GLY 6 -0.480 -13.603 2.376 48 H ASP 7 H ASP 7 0.145 -11.422 -0.064 49 HA ASP 7 HA ASP 7 -1.417 -9.199 1.185 50 1HB ASP 7 1HB ASP 7 1.073 -9.601 2.128 51 2HB ASP 7 2HB ASP 7 1.498 -8.704 0.672 52 H TYR 8 H TYR 8 -1.257 -7.250 -0.272 53 HA TYR 8 HA TYR 8 -1.967 -8.442 -2.874 54 1HB TYR 8 1HB TYR 8 -3.661 -7.392 -0.587 55 2HB TYR 8 2HB TYR 8 -4.166 -6.964 -2.199 56 HD1 TYR 8 HD1 TYR 8 -4.934 -8.780 -3.739 57 HD2 TYR 8 HD2 TYR 8 -4.240 -9.447 0.404 58 HE1 TYR 8 HE1 TYR 8 -6.447 -10.728 -3.810 59 HE2 TYR 8 HE2 TYR 8 -5.736 -11.410 0.328 60 HH TYR 8 HH TYR 8 -6.675 -12.922 -2.375 61 H LEU 9 H LEU 9 -2.402 -6.560 -4.416 62 HA LEU 9 HA LEU 9 -0.832 -4.226 -3.514 63 1HB LEU 9 1HB LEU 9 0.563 -6.163 -4.358 64 2HB LEU 9 2HB LEU 9 -0.241 -6.005 -5.896 65 HG LEU 9 HG LEU 9 1.664 -3.998 -4.666 66 1HD1 LEU 9 1HD1 LEU 9 2.744 -6.014 -5.471 67 2HD1 LEU 9 2HD1 LEU 9 3.106 -4.654 -6.534 68 3HD1 LEU 9 3HD1 LEU 9 1.915 -5.861 -7.019 69 1HD2 LEU 9 1HD2 LEU 9 1.581 -2.840 -6.810 70 2HD2 LEU 9 2HD2 LEU 9 0.000 -2.836 -6.031 71 3HD2 LEU 9 3HD2 LEU 9 0.320 -3.941 -7.367 72 H VAL 10 H VAL 10 -1.059 -2.451 -4.695 73 HA VAL 10 HA VAL 10 -3.241 -2.233 -6.646 74 HB VAL 10 HB VAL 10 -3.235 -1.170 -3.841 75 1HG1 VAL 10 1HG1 VAL 10 -4.546 0.279 -6.143 76 2HG1 VAL 10 2HG1 VAL 10 -3.197 0.876 -5.176 77 3HG1 VAL 10 3HG1 VAL 10 -4.777 0.635 -4.430 78 1HG2 VAL 10 1HG2 VAL 10 -5.412 -2.056 -5.716 79 2HG2 VAL 10 2HG2 VAL 10 -5.627 -1.594 -4.027 80 3HG2 VAL 10 3HG2 VAL 10 -4.676 -3.021 -4.438 81 H VAL 11 H VAL 11 -2.914 -0.452 -8.087 82 HA VAL 11 HA VAL 11 -0.861 1.456 -7.093 83 HB VAL 11 HB VAL 11 0.107 -0.282 -8.726 84 1HG1 VAL 11 1HG1 VAL 11 -0.152 0.212 -11.100 85 2HG1 VAL 11 2HG1 VAL 11 -1.374 1.425 -10.715 86 3HG1 VAL 11 3HG1 VAL 11 -1.681 -0.277 -10.368 87 1HG2 VAL 11 1HG2 VAL 11 1.545 1.392 -9.772 88 2HG2 VAL 11 2HG2 VAL 11 1.264 1.743 -8.065 89 3HG2 VAL 11 3HG2 VAL 11 0.405 2.655 -9.308 90 H LYS 12 H LYS 12 -1.159 3.586 -7.804 91 HA LYS 12 HA LYS 12 -3.954 3.974 -8.543 92 1HB LYS 12 1HB LYS 12 -2.017 5.801 -7.126 93 2HB LYS 12 2HB LYS 12 -3.644 6.275 -7.595 94 1HG LYS 12 1HG LYS 12 -4.438 4.278 -6.216 95 2HG LYS 12 2HG LYS 12 -2.802 4.243 -5.555 96 1HD LYS 12 1HD LYS 12 -4.240 5.520 -4.087 97 2HD LYS 12 2HD LYS 12 -3.074 6.603 -4.852 98 1HE LYS 12 1HE LYS 12 -4.756 7.299 -6.466 99 2HE LYS 12 2HE LYS 12 -5.918 6.179 -5.761 100 1HZ LYS 12 1HZ LYS 12 -6.301 8.416 -4.979 101 2HZ LYS 12 2HZ LYS 12 -4.716 8.533 -4.400 102 3HZ LYS 12 3HZ LYS 12 -5.801 7.440 -3.687 103 H GLY 13 H GLY 13 -4.324 4.373 -10.585 104 1HA GLY 13 1HA GLY 13 -2.581 5.909 -12.259 105 2HA GLY 13 2HA GLY 13 -4.257 5.478 -12.604 106 H THR 14 H THR 14 -2.136 7.926 -11.553 107 HA THR 14 HA THR 14 -3.952 9.457 -10.003 108 HB THR 14 HB THR 14 -1.531 9.709 -9.750 109 HG1 THR 14 HG1 THR 14 -3.034 11.993 -10.525 110 1HG2 THR 14 1HG2 THR 14 -0.201 10.907 -11.407 111 2HG2 THR 14 2HG2 THR 14 -1.596 10.991 -12.482 112 3HG2 THR 14 3HG2 THR 14 -0.876 9.428 -12.092 113 H THR 15 H THR 15 -4.196 8.747 -13.147 114 HA THR 15 HA THR 15 -4.878 11.104 -14.462 115 HB THR 15 HB THR 15 -6.562 8.676 -14.870 116 HG1 THR 15 HG1 THR 15 -3.763 8.786 -15.493 117 1HG2 THR 15 1HG2 THR 15 -6.732 10.578 -16.394 118 2HG2 THR 15 2HG2 THR 15 -6.084 9.164 -17.226 119 3HG2 THR 15 3HG2 THR 15 -5.004 10.469 -16.735 120 H THR 16 H THR 16 -7.105 8.790 -12.909 121 HA THR 16 HA THR 16 -8.997 10.974 -12.418 122 HB THR 16 HB THR 16 -9.549 8.041 -11.971 123 HG1 THR 16 HG1 THR 16 -9.610 9.544 -14.398 124 1HG2 THR 16 1HG2 THR 16 -11.181 9.656 -11.092 125 2HG2 THR 16 2HG2 THR 16 -11.859 8.714 -12.420 126 3HG2 THR 16 3HG2 THR 16 -11.334 10.373 -12.699 127 H GLU 17 H GLU 17 -6.514 9.444 -10.902 128 HA GLU 17 HA GLU 17 -5.693 9.543 -8.792 129 1HB GLU 17 1HB GLU 17 -8.155 11.194 -8.192 130 2HB GLU 17 2HB GLU 17 -6.755 11.023 -7.140 131 1HG GLU 17 1HG GLU 17 -5.369 12.216 -8.598 132 2HG GLU 17 2HG GLU 17 -6.508 12.073 -9.935 133 H ARG 18 H ARG 18 -7.614 7.487 -9.700 134 HA ARG 18 HA ARG 18 -8.694 6.570 -7.128 135 1HB ARG 18 1HB ARG 18 -9.785 4.813 -8.726 136 2HB ARG 18 2HB ARG 18 -10.444 6.442 -8.643 137 1HG ARG 18 1HG ARG 18 -9.419 7.059 -10.689 138 2HG ARG 18 2HG ARG 18 -8.441 5.591 -10.716 139 1HD ARG 18 1HD ARG 18 -11.431 5.450 -10.711 140 2HD ARG 18 2HD ARG 18 -10.539 5.724 -12.208 141 HE ARG 18 HE ARG 18 -9.346 3.594 -11.686 142 1HH1 ARG 18 1HH1 ARG 18 -12.489 4.205 -10.252 143 2HH1 ARG 18 2HH1 ARG 18 -12.946 2.528 -10.244 144 1HH2 ARG 18 1HH2 ARG 18 -9.916 1.412 -11.662 145 2HH2 ARG 18 2HH2 ARG 18 -11.460 0.930 -11.011 146 H HIS 19 H HIS 19 -8.673 3.949 -7.155 147 HA HIS 19 HA HIS 19 -5.833 3.319 -7.502 148 1HB HIS 19 1HB HIS 19 -6.185 1.441 -5.933 149 2HB HIS 19 2HB HIS 19 -6.546 3.002 -5.224 150 HD1 HIS 19 HD1 HIS 19 -8.804 3.268 -4.148 151 HD2 HIS 19 HD2 HIS 19 -8.535 -0.176 -6.467 152 HE1 HIS 19 HE1 HIS 19 -10.859 1.922 -3.613 153 HE2 HIS 19 HE2 HIS 19 -10.616 -0.218 -4.918 154 H ASP 20 H ASP 20 -5.237 2.220 -9.178 155 HA ASP 20 HA ASP 20 -7.133 0.343 -10.400 156 1HB ASP 20 1HB ASP 20 -5.431 2.440 -11.690 157 2HB ASP 20 2HB ASP 20 -5.810 0.968 -12.578 158 H GLN 21 H GLN 21 -6.284 -1.372 -9.398 159 HA GLN 21 HA GLN 21 -4.986 -3.174 -10.795 160 1HB GLN 21 1HB GLN 21 -2.894 -1.944 -10.953 161 2HB GLN 21 2HB GLN 21 -2.865 -1.688 -9.213 162 1HG GLN 21 1HG GLN 21 -2.614 -4.104 -8.867 163 2HG GLN 21 2HG GLN 21 -2.614 -4.346 -10.611 164 1HE2 GLN 21 1HE2 GLN 21 -0.577 -5.235 -10.664 165 2HE2 GLN 21 2HE2 GLN 21 0.854 -4.316 -10.375 166 H HIS 22 H HIS 22 -5.755 -4.985 -9.596 167 HA HIS 22 HA HIS 22 -4.214 -5.055 -7.098 168 1HB HIS 22 1HB HIS 22 -6.939 -4.932 -7.074 169 2HB HIS 22 2HB HIS 22 -6.670 -6.672 -7.076 170 HD1 HIS 22 HD1 HIS 22 -7.136 -4.009 -4.835 171 HD2 HIS 22 HD2 HIS 22 -4.623 -7.309 -4.915 172 HE1 HIS 22 HE1 HIS 22 -6.367 -4.322 -2.468 173 HE2 HIS 22 HE2 HIS 22 -4.996 -6.424 -2.514 174 H ALA 23 H ALA 23 -3.154 -6.681 -6.792 175 HA ALA 23 HA ALA 23 -3.416 -9.208 -8.142 176 1HB ALA 23 1HB ALA 23 -0.841 -7.681 -8.246 177 2HB ALA 23 2HB ALA 23 -1.955 -7.925 -9.593 178 3HB ALA 23 3HB ALA 23 -1.148 -9.307 -8.855 179 H GLU 24 H GLU 24 -2.481 -10.993 -6.841 180 HA GLU 24 HA GLU 24 -1.493 -9.904 -4.289 181 1HB GLU 24 1HB GLU 24 -3.885 -10.499 -4.014 182 2HB GLU 24 2HB GLU 24 -3.490 -12.154 -4.461 183 1HG GLU 24 1HG GLU 24 -1.764 -11.196 -2.344 184 2HG GLU 24 2HG GLU 24 -3.459 -11.047 -1.908 185 H ILE 25 H ILE 25 -0.340 -11.184 -3.080 186 HA ILE 25 HA ILE 25 1.564 -12.149 -5.034 187 HB ILE 25 HB ILE 25 2.059 -10.885 -2.338 188 1HG1 ILE 25 1HG1 ILE 25 1.830 -9.510 -5.029 189 2HG1 ILE 25 2HG1 ILE 25 0.650 -9.391 -3.729 190 1HG2 ILE 25 1HG2 ILE 25 4.176 -10.277 -3.312 191 2HG2 ILE 25 2HG2 ILE 25 3.718 -11.073 -4.819 192 3HG2 ILE 25 3HG2 ILE 25 3.930 -12.022 -3.346 193 1HD1 ILE 25 1HD1 ILE 25 3.504 -8.440 -3.606 194 2HD1 ILE 25 2HD1 ILE 25 2.309 -8.302 -2.316 195 3HD1 ILE 25 3HD1 ILE 25 2.079 -7.426 -3.829 196 H ILE 26 H ILE 26 2.044 -14.160 -4.986 197 HA ILE 26 HA ILE 26 2.142 -15.608 -2.435 198 HB ILE 26 HB ILE 26 2.021 -17.672 -3.997 199 1HG1 ILE 26 1HG1 ILE 26 0.493 -17.118 -6.004 200 2HG1 ILE 26 2HG1 ILE 26 1.072 -15.467 -5.823 201 1HG2 ILE 26 1HG2 ILE 26 0.293 -17.065 -2.413 202 2HG2 ILE 26 2HG2 ILE 26 -0.429 -17.630 -3.919 203 3HG2 ILE 26 3HG2 ILE 26 -0.378 -15.904 -3.560 204 1HD1 ILE 26 1HD1 ILE 26 2.770 -17.889 -6.369 205 2HD1 ILE 26 2HD1 ILE 26 3.361 -16.238 -6.180 206 3HD1 ILE 26 3HD1 ILE 26 2.309 -16.650 -7.536 207 H GLU 27 H GLU 27 3.955 -14.251 -4.866 208 HA GLU 27 HA GLU 27 6.339 -15.627 -3.898 209 1HB GLU 27 1HB GLU 27 5.564 -15.245 -6.783 210 2HB GLU 27 2HB GLU 27 7.246 -15.407 -6.303 211 1HG GLU 27 1HG GLU 27 5.078 -17.438 -5.819 212 2HG GLU 27 2HG GLU 27 6.310 -17.518 -7.078 213 H VAL 28 H VAL 28 8.031 -14.298 -3.550 214 HA VAL 28 HA VAL 28 7.632 -11.443 -4.111 215 HB VAL 28 HB VAL 28 8.165 -12.591 -1.365 216 1HG1 VAL 28 1HG1 VAL 28 8.031 -10.259 -0.602 217 2HG1 VAL 28 2HG1 VAL 28 7.905 -9.725 -2.278 218 3HG1 VAL 28 3HG1 VAL 28 9.376 -10.516 -1.710 219 1HG2 VAL 28 1HG2 VAL 28 5.839 -12.837 -2.021 220 2HG2 VAL 28 2HG2 VAL 28 5.762 -11.129 -2.446 221 3HG2 VAL 28 3HG2 VAL 28 6.004 -11.609 -0.766 222 H ARG 29 H ARG 29 9.475 -11.170 -5.304 223 HA ARG 29 HA ARG 29 12.031 -12.193 -4.247 224 1HB ARG 29 1HB ARG 29 11.194 -11.467 -7.058 225 2HB ARG 29 2HB ARG 29 12.847 -11.846 -6.601 226 1HG ARG 29 1HG ARG 29 12.212 -14.096 -6.012 227 2HG ARG 29 2HG ARG 29 10.512 -13.723 -6.327 228 1HD ARG 29 1HD ARG 29 10.926 -13.400 -8.644 229 2HD ARG 29 2HD ARG 29 12.669 -13.432 -8.402 230 HE ARG 29 HE ARG 29 11.265 -15.869 -7.697 231 1HH1 ARG 29 1HH1 ARG 29 12.986 -14.058 -10.154 232 2HH1 ARG 29 2HH1 ARG 29 13.465 -15.474 -11.051 233 1HH2 ARG 29 1HH2 ARG 29 11.885 -17.745 -8.884 234 2HH2 ARG 29 2HH2 ARG 29 12.803 -17.561 -10.348 235 H SER 30 H SER 30 11.409 -10.037 -2.912 236 HA SER 30 HA SER 30 12.803 -7.834 -4.252 237 1HB SER 30 1HB SER 30 10.279 -7.514 -2.617 238 2HB SER 30 2HB SER 30 11.143 -6.248 -3.491 239 HG SER 30 HG SER 30 10.387 -6.979 -5.363 240 H ALA 31 H ALA 31 14.583 -7.484 -3.085 241 HA ALA 31 HA ALA 31 14.639 -7.912 -0.223 242 1HB ALA 31 1HB ALA 31 16.586 -8.474 -1.617 243 2HB ALA 31 2HB ALA 31 16.988 -7.285 -0.377 244 3HB ALA 31 3HB ALA 31 16.757 -6.772 -2.049 245 H ASP 32 H ASP 32 14.826 -5.197 -2.470 246 HA ASP 32 HA ASP 32 14.676 -3.245 -0.309 247 1HB ASP 32 1HB ASP 32 14.694 -2.896 -3.320 248 2HB ASP 32 2HB ASP 32 14.706 -1.576 -2.156 249 H GLY 33 H GLY 33 12.565 -5.169 -1.945 250 1HA GLY 33 1HA GLY 33 10.231 -5.167 -1.896 251 2HA GLY 33 2HA GLY 33 10.274 -3.514 -1.291 252 H SER 34 H SER 34 12.225 -4.189 -4.009 253 HA SER 34 HA SER 34 10.570 -2.446 -5.637 254 1HB SER 34 1HB SER 34 12.624 -2.698 -7.196 255 2HB SER 34 2HB SER 34 12.833 -1.814 -5.683 256 HG SER 34 HG SER 34 13.908 -4.226 -6.493 257 HA PRO 35 HA PRO 35 8.889 -5.628 -8.271 258 1HB PRO 35 1HB PRO 35 9.381 -3.780 -10.528 259 2HB PRO 35 2HB PRO 35 7.861 -4.472 -9.954 260 1HG PRO 35 1HG PRO 35 8.436 -1.892 -9.568 261 2HG PRO 35 2HG PRO 35 7.570 -2.838 -8.343 262 1HD PRO 35 1HD PRO 35 10.455 -2.032 -8.423 263 2HD PRO 35 2HD PRO 35 9.330 -2.056 -7.048 264 HA PRO 36 HA PRO 36 8.368 -6.423 -10.537 265 1HB PRO 36 1HB PRO 36 8.539 -8.914 -11.507 266 2HB PRO 36 2HB PRO 36 9.038 -7.510 -12.458 267 1HG PRO 36 1HG PRO 36 10.714 -9.459 -10.929 268 2HG PRO 36 2HG PRO 36 10.998 -8.750 -12.530 269 1HD PRO 36 1HD PRO 36 12.184 -7.853 -10.220 270 2HD PRO 36 2HD PRO 36 11.919 -6.846 -11.654 271 H TYR 37 H TYR 37 6.948 -8.463 -10.201 272 HA TYR 37 HA TYR 37 7.599 -9.908 -7.703 273 1HB TYR 37 1HB TYR 37 4.894 -8.678 -8.264 274 2HB TYR 37 2HB TYR 37 5.402 -9.511 -6.800 275 HD1 TYR 37 HD1 TYR 37 5.335 -6.371 -8.591 276 HD2 TYR 37 HD2 TYR 37 7.012 -8.400 -5.250 277 HE1 TYR 37 HE1 TYR 37 5.984 -4.214 -7.617 278 HE2 TYR 37 HE2 TYR 37 7.668 -6.244 -4.263 279 HH TYR 37 HH TYR 37 8.067 -3.967 -4.885 280 H VAL 38 H VAL 38 5.928 -11.759 -7.438 281 HA VAL 38 HA VAL 38 4.889 -12.567 -10.070 282 HB VAL 38 HB VAL 38 6.499 -14.438 -8.307 283 1HG1 VAL 38 1HG1 VAL 38 4.543 -15.535 -9.290 284 2HG1 VAL 38 2HG1 VAL 38 6.021 -16.106 -10.064 285 3HG1 VAL 38 3HG1 VAL 38 4.992 -14.932 -10.885 286 1HG2 VAL 38 1HG2 VAL 38 6.995 -13.410 -11.101 287 2HG2 VAL 38 2HG2 VAL 38 7.975 -14.612 -10.260 288 3HG2 VAL 38 3HG2 VAL 38 7.899 -12.956 -9.656 289 H VAL 39 H VAL 39 2.950 -13.239 -9.938 290 HA VAL 39 HA VAL 39 1.790 -13.133 -7.271 291 HB VAL 39 HB VAL 39 2.419 -10.909 -8.791 292 1HG1 VAL 39 1HG1 VAL 39 0.699 -11.285 -10.407 293 2HG1 VAL 39 2HG1 VAL 39 0.317 -9.862 -9.440 294 3HG1 VAL 39 3HG1 VAL 39 -0.521 -11.384 -9.138 295 1HG2 VAL 39 1HG2 VAL 39 1.107 -9.639 -7.186 296 2HG2 VAL 39 2HG2 VAL 39 2.088 -10.895 -6.428 297 3HG2 VAL 39 3HG2 VAL 39 0.354 -11.136 -6.637 298 H ARG 40 H ARG 40 -0.690 -13.049 -7.615 299 HA ARG 40 HA ARG 40 -1.477 -14.339 -10.112 300 1HB ARG 40 1HB ARG 40 -2.363 -15.268 -7.366 301 2HB ARG 40 2HB ARG 40 -3.017 -15.843 -8.888 302 1HG ARG 40 1HG ARG 40 -0.389 -16.355 -9.249 303 2HG ARG 40 2HG ARG 40 -0.538 -16.563 -7.503 304 1HD ARG 40 1HD ARG 40 -2.150 -17.952 -9.640 305 2HD ARG 40 2HD ARG 40 -0.917 -18.675 -8.610 306 HE ARG 40 HE ARG 40 -2.606 -17.889 -6.753 307 1HH1 ARG 40 1HH1 ARG 40 -3.352 -19.273 -9.878 308 2HH1 ARG 40 2HH1 ARG 40 -4.763 -20.116 -9.325 309 1HH2 ARG 40 1HH2 ARG 40 -4.473 -19.009 -6.009 310 2HH2 ARG 40 2HH2 ARG 40 -5.413 -19.956 -7.128 311 H TRP 41 H TRP 41 -3.508 -13.799 -10.741 312 HA TRP 41 HA TRP 41 -4.611 -11.518 -9.289 313 1HB TRP 41 1HB TRP 41 -4.944 -12.356 -12.190 314 2HB TRP 41 2HB TRP 41 -5.717 -10.949 -11.454 315 HD1 TRP 41 HD1 TRP 41 -2.105 -11.845 -10.593 316 HE1 TRP 41 HE1 TRP 41 -0.543 -10.005 -11.442 317 HE3 TRP 41 HE3 TRP 41 -5.458 -9.108 -13.287 318 HZ2 TRP 41 HZ2 TRP 41 -0.682 -7.723 -13.029 319 HZ3 TRP 41 HZ3 TRP 41 -4.631 -7.106 -14.408 320 HH2 TRP 41 HH2 TRP 41 -2.310 -6.425 -14.310 321 H LEU 42 H LEU 42 -5.767 -12.442 -7.801 322 HA LEU 42 HA LEU 42 -6.257 -15.188 -7.953 323 1HB LEU 42 1HB LEU 42 -7.590 -13.484 -5.909 324 2HB LEU 42 2HB LEU 42 -6.860 -15.065 -5.734 325 HG LEU 42 HG LEU 42 -5.440 -12.399 -5.933 326 1HD1 LEU 42 1HD1 LEU 42 -5.587 -14.532 -3.804 327 2HD1 LEU 42 2HD1 LEU 42 -6.424 -12.979 -3.782 328 3HD1 LEU 42 3HD1 LEU 42 -4.662 -13.033 -3.709 329 1HD2 LEU 42 1HD2 LEU 42 -4.220 -15.160 -5.840 330 2HD2 LEU 42 2HD2 LEU 42 -3.355 -13.630 -5.692 331 3HD2 LEU 42 3HD2 LEU 42 -4.167 -14.040 -7.202 332 H VAL 43 H VAL 43 -8.700 -12.679 -7.318 333 HA VAL 43 HA VAL 43 -10.835 -14.444 -7.626 334 HB VAL 43 HB VAL 43 -12.123 -12.195 -7.980 335 1HG1 VAL 43 1HG1 VAL 43 -12.194 -13.599 -5.990 336 2HG1 VAL 43 2HG1 VAL 43 -12.113 -11.893 -5.549 337 3HG1 VAL 43 3HG1 VAL 43 -10.671 -12.900 -5.441 338 1HG2 VAL 43 1HG2 VAL 43 -9.484 -11.246 -6.876 339 2HG2 VAL 43 2HG2 VAL 43 -10.962 -10.287 -6.969 340 3HG2 VAL 43 3HG2 VAL 43 -10.154 -10.811 -8.449 341 H ASN 44 H ASN 44 -9.174 -12.398 -9.910 342 HA ASN 44 HA ASN 44 -10.828 -12.828 -12.122 343 1HB ASN 44 1HB ASN 44 -7.821 -12.465 -12.025 344 2HB ASN 44 2HB ASN 44 -8.791 -12.399 -13.495 345 1HD2 ASN 44 1HD2 ASN 44 -7.951 -10.783 -10.538 346 2HD2 ASN 44 2HD2 ASN 44 -8.674 -9.266 -10.929 347 H GLY 45 H GLY 45 -7.763 -14.510 -11.392 348 1HA GLY 45 1HA GLY 45 -7.891 -16.963 -11.105 349 2HA GLY 45 2HA GLY 45 -8.955 -16.980 -12.501 350 H HIS 46 H HIS 46 -5.756 -15.458 -11.865 351 HA HIS 46 HA HIS 46 -4.654 -17.068 -14.056 352 1HB HIS 46 1HB HIS 46 -5.464 -14.837 -14.932 353 2HB HIS 46 2HB HIS 46 -4.239 -14.075 -13.924 354 HD1 HIS 46 HD1 HIS 46 -4.156 -16.953 -16.448 355 HD2 HIS 46 HD2 HIS 46 -2.112 -13.463 -15.451 356 HE1 HIS 46 HE1 HIS 46 -2.238 -16.798 -18.067 357 HE2 HIS 46 HE2 HIS 46 -0.903 -14.800 -17.310 358 H GLU 47 H GLU 47 -2.186 -16.667 -14.230 359 HA GLU 47 HA GLU 47 -0.939 -16.297 -11.584 360 1HB GLU 47 1HB GLU 47 -0.372 -18.628 -13.440 361 2HB GLU 47 2HB GLU 47 0.369 -18.342 -11.878 362 1HG GLU 47 1HG GLU 47 -1.169 -20.054 -11.524 363 2HG GLU 47 2HG GLU 47 -1.954 -18.610 -10.891 364 H THR 48 H THR 48 0.566 -14.727 -11.914 365 HA THR 48 HA THR 48 1.953 -14.616 -14.475 366 HB THR 48 HB THR 48 -0.119 -13.401 -14.754 367 HG1 THR 48 HG1 THR 48 0.943 -12.147 -16.061 368 1HG2 THR 48 1HG2 THR 48 0.942 -11.550 -12.644 369 2HG2 THR 48 2HG2 THR 48 -0.480 -12.585 -12.514 370 3HG2 THR 48 3HG2 THR 48 -0.470 -11.244 -13.653 371 H THR 49 H THR 49 3.239 -12.464 -14.544 372 HA THR 49 HA THR 49 4.591 -11.857 -12.010 373 HB THR 49 HB THR 49 5.983 -12.525 -14.630 374 HG1 THR 49 HG1 THR 49 5.200 -14.111 -12.655 375 1HG2 THR 49 1HG2 THR 49 8.074 -12.206 -13.412 376 2HG2 THR 49 2HG2 THR 49 7.177 -11.744 -11.965 377 3HG2 THR 49 3HG2 THR 49 7.117 -10.726 -13.407 378 H VAL 50 H VAL 50 4.662 -9.645 -11.814 379 HA VAL 50 HA VAL 50 4.033 -8.048 -14.216 380 HB VAL 50 HB VAL 50 2.152 -6.949 -12.983 381 1HG1 VAL 50 1HG1 VAL 50 1.768 -8.558 -14.775 382 2HG1 VAL 50 2HG1 VAL 50 0.527 -8.682 -13.526 383 3HG1 VAL 50 3HG1 VAL 50 1.823 -9.877 -13.605 384 1HG2 VAL 50 1HG2 VAL 50 1.075 -8.217 -11.171 385 2HG2 VAL 50 2HG2 VAL 50 2.687 -7.656 -10.724 386 3HG2 VAL 50 3HG2 VAL 50 2.435 -9.343 -11.171 387 H TYR 51 H TYR 51 3.579 -5.724 -13.504 388 HA TYR 51 HA TYR 51 5.311 -4.773 -11.337 389 1HB TYR 51 1HB TYR 51 5.283 -3.396 -14.023 390 2HB TYR 51 2HB TYR 51 6.429 -3.197 -12.708 391 HD1 TYR 51 HD1 TYR 51 8.361 -4.619 -12.531 392 HD2 TYR 51 HD2 TYR 51 5.421 -5.344 -15.517 393 HE1 TYR 51 HE1 TYR 51 9.905 -6.158 -13.674 394 HE2 TYR 51 HE2 TYR 51 6.950 -6.890 -16.663 395 HH TYR 51 HH TYR 51 9.448 -7.224 -16.814 396 HA PRO 52 HA PRO 52 1.642 -2.179 -10.912 397 1HB PRO 52 1HB PRO 52 3.110 -0.444 -9.108 398 2HB PRO 52 2HB PRO 52 1.848 -1.618 -8.729 399 1HG PRO 52 1HG PRO 52 4.460 -1.912 -7.985 400 2HG PRO 52 2HG PRO 52 3.357 -3.272 -8.250 401 1HD PRO 52 1HD PRO 52 5.465 -2.159 -10.060 402 2HD PRO 52 2HD PRO 52 5.025 -3.852 -9.745 403 H GLY 53 H GLY 53 4.769 -0.416 -11.021 404 1HA GLY 53 1HA GLY 53 5.239 0.991 -12.948 405 2HA GLY 53 2HA GLY 53 3.527 1.382 -13.002 406 H SER 54 H SER 54 2.746 2.361 -10.797 407 HA SER 54 HA SER 54 4.296 4.752 -10.428 408 1HB SER 54 1HB SER 54 1.743 3.896 -9.075 409 2HB SER 54 2HB SER 54 2.427 5.521 -9.071 410 HG SER 54 HG SER 54 2.181 4.579 -11.597 411 H ASP 55 H ASP 55 3.884 5.465 -7.832 412 HA ASP 55 HA ASP 55 6.051 4.210 -6.530 413 1HB ASP 55 1HB ASP 55 5.363 6.571 -6.167 414 2HB ASP 55 2HB ASP 55 3.930 6.002 -5.320 415 H ALA 56 H ALA 56 2.976 3.117 -6.990 416 HA ALA 56 HA ALA 56 2.053 1.126 -6.387 417 1HB ALA 56 1HB ALA 56 4.454 0.738 -4.608 418 2HB ALA 56 2HB ALA 56 4.360 0.279 -6.308 419 3HB ALA 56 3HB ALA 56 3.312 -0.500 -5.122 420 H VAL 57 H VAL 57 0.852 0.093 -4.711 421 HA VAL 57 HA VAL 57 0.710 1.470 -2.122 422 HB VAL 57 HB VAL 57 -1.766 0.656 -3.670 423 1HG1 VAL 57 1HG1 VAL 57 -2.055 0.705 -1.267 424 2HG1 VAL 57 2HG1 VAL 57 -2.943 2.033 -2.015 425 3HG1 VAL 57 3HG1 VAL 57 -1.410 2.346 -1.199 426 1HG2 VAL 57 1HG2 VAL 57 -2.185 3.026 -4.104 427 2HG2 VAL 57 2HG2 VAL 57 -0.698 2.478 -4.879 428 3HG2 VAL 57 3HG2 VAL 57 -0.621 3.431 -3.397 429 H VAL 58 H VAL 58 -0.629 0.026 -0.581 430 HA VAL 58 HA VAL 58 -0.063 -2.804 -1.131 431 HB VAL 58 HB VAL 58 0.915 -1.366 1.350 432 1HG1 VAL 58 1HG1 VAL 58 1.338 -4.197 0.411 433 2HG1 VAL 58 2HG1 VAL 58 0.314 -3.684 1.753 434 3HG1 VAL 58 3HG1 VAL 58 2.063 -3.470 1.845 435 1HG2 VAL 58 1HG2 VAL 58 2.529 -2.416 -0.970 436 2HG2 VAL 58 2HG2 VAL 58 3.180 -1.727 0.517 437 3HG2 VAL 58 3HG2 VAL 58 2.251 -0.717 -0.592 438 H VAL 59 H VAL 59 -1.655 -4.025 -0.465 439 HA VAL 59 HA VAL 59 -3.668 -2.977 1.375 440 HB VAL 59 HB VAL 59 -5.168 -4.025 -0.650 441 1HG1 VAL 59 1HG1 VAL 59 -5.768 -1.703 -1.162 442 2HG1 VAL 59 2HG1 VAL 59 -4.353 -1.152 -0.265 443 3HG1 VAL 59 3HG1 VAL 59 -5.661 -1.985 0.575 444 1HG2 VAL 59 1HG2 VAL 59 -3.271 -4.184 -2.143 445 2HG2 VAL 59 2HG2 VAL 59 -2.907 -2.477 -1.893 446 3HG2 VAL 59 3HG2 VAL 59 -4.394 -2.950 -2.714 447 H THR 60 H THR 60 -5.555 -4.631 1.303 448 HA THR 60 HA THR 60 -4.435 -7.354 1.775 449 HB THR 60 HB THR 60 -6.266 -7.332 3.624 450 HG1 THR 60 HG1 THR 60 -6.022 -4.573 3.782 451 1HG2 THR 60 1HG2 THR 60 -3.929 -5.446 3.880 452 2HG2 THR 60 2HG2 THR 60 -3.869 -7.194 4.108 453 3HG2 THR 60 3HG2 THR 60 -4.808 -6.192 5.216 454 H ALA 61 H ALA 61 -6.881 -8.546 2.479 455 HA ALA 61 HA ALA 61 -7.901 -9.391 0.060 456 1HB ALA 61 1HB ALA 61 -7.991 -10.648 2.160 457 2HB ALA 61 2HB ALA 61 -9.549 -10.589 1.336 458 3HB ALA 61 3HB ALA 61 -9.253 -9.561 2.737 459 H THR 62 H THR 62 -9.425 -6.992 2.274 460 HA THR 62 HA THR 62 -11.904 -6.959 0.903 461 HB THR 62 HB THR 62 -11.723 -4.400 1.771 462 HG1 THR 62 HG1 THR 62 -10.632 -4.504 3.792 463 1HG2 THR 62 1HG2 THR 62 -12.485 -6.843 3.364 464 2HG2 THR 62 2HG2 THR 62 -13.523 -5.953 2.250 465 3HG2 THR 62 3HG2 THR 62 -12.963 -5.188 3.739 466 H GLU 63 H GLU 63 -9.271 -4.611 0.675 467 HA GLU 63 HA GLU 63 -10.340 -3.135 -1.443 468 1HB GLU 63 1HB GLU 63 -7.418 -3.651 -0.874 469 2HB GLU 63 2HB GLU 63 -8.086 -2.288 -1.763 470 1HG GLU 63 1HG GLU 63 -8.640 -2.863 1.139 471 2HG GLU 63 2HG GLU 63 -7.403 -1.751 0.560 472 H HIS 64 H HIS 64 -8.835 -6.195 -1.327 473 HA HIS 64 HA HIS 64 -7.773 -6.440 -3.871 474 1HB HIS 64 1HB HIS 64 -7.077 -8.312 -2.932 475 2HB HIS 64 2HB HIS 64 -8.210 -8.102 -1.611 476 HD1 HIS 64 HD1 HIS 64 -7.848 -9.863 -4.932 477 HD2 HIS 64 HD2 HIS 64 -10.282 -9.925 -1.557 478 HE1 HIS 64 HE1 HIS 64 -9.189 -11.978 -5.092 479 HE2 HIS 64 HE2 HIS 64 -10.402 -12.129 -2.893 480 H ALA 65 H ALA 65 -11.107 -7.043 -2.813 481 HA ALA 65 HA ALA 65 -11.820 -8.801 -4.850 482 1HB ALA 65 1HB ALA 65 -14.123 -8.296 -4.177 483 2HB ALA 65 2HB ALA 65 -13.550 -6.882 -3.290 484 3HB ALA 65 3HB ALA 65 -13.071 -8.499 -2.776 485 H GLU 66 H GLU 66 -13.071 -5.557 -4.546 486 HA GLU 66 HA GLU 66 -14.157 -5.317 -7.096 487 1HB GLU 66 1HB GLU 66 -13.898 -2.773 -6.447 488 2HB GLU 66 2HB GLU 66 -15.003 -3.821 -5.564 489 1HG GLU 66 1HG GLU 66 -13.874 -3.573 -3.644 490 2HG GLU 66 2HG GLU 66 -12.319 -3.860 -4.425 491 H ALA 67 H ALA 67 -11.211 -3.853 -5.819 492 HA ALA 67 HA ALA 67 -10.331 -2.580 -8.117 493 1HB ALA 67 1HB ALA 67 -9.440 -2.122 -5.884 494 2HB ALA 67 2HB ALA 67 -8.154 -2.468 -7.040 495 3HB ALA 67 3HB ALA 67 -8.649 -3.698 -5.879 496 H GLU 68 H GLU 68 -9.683 -5.888 -6.986 497 HA GLU 68 HA GLU 68 -7.675 -6.473 -8.831 498 1HB GLU 68 1HB GLU 68 -8.710 -7.867 -6.814 499 2HB GLU 68 2HB GLU 68 -9.599 -8.628 -8.128 500 1HG GLU 68 1HG GLU 68 -7.730 -9.574 -9.031 501 2HG GLU 68 2HG GLU 68 -6.656 -8.329 -8.390 502 H LYS 69 H LYS 69 -11.196 -7.028 -9.058 503 HA LYS 69 HA LYS 69 -11.143 -8.145 -11.626 504 1HB LYS 69 1HB LYS 69 -13.095 -7.675 -9.868 505 2HB LYS 69 2HB LYS 69 -13.359 -6.281 -10.904 506 1HG LYS 69 1HG LYS 69 -14.778 -7.830 -11.825 507 2HG LYS 69 2HG LYS 69 -13.333 -8.045 -12.816 508 1HD LYS 69 1HD LYS 69 -12.655 -9.932 -11.425 509 2HD LYS 69 2HD LYS 69 -14.085 -9.710 -10.416 510 1HE LYS 69 1HE LYS 69 -14.587 -11.465 -11.918 511 2HE LYS 69 2HE LYS 69 -15.471 -10.045 -12.480 512 1HZ LYS 69 1HZ LYS 69 -13.457 -9.696 -14.003 513 2HZ LYS 69 2HZ LYS 69 -14.546 -10.931 -14.395 514 3HZ LYS 69 3HZ LYS 69 -13.073 -11.314 -13.655 515 H ARG 70 H ARG 70 -12.341 -4.848 -10.995 516 HA ARG 70 HA ARG 70 -12.153 -3.991 -13.644 517 1HB ARG 70 1HB ARG 70 -13.655 -3.073 -12.077 518 2HB ARG 70 2HB ARG 70 -12.367 -2.698 -10.950 519 1HG ARG 70 1HG ARG 70 -11.578 -0.945 -12.377 520 2HG ARG 70 2HG ARG 70 -12.794 -1.365 -13.596 521 1HD ARG 70 1HD ARG 70 -13.367 0.511 -12.049 522 2HD ARG 70 2HD ARG 70 -14.571 -0.747 -12.184 523 HE ARG 70 HE ARG 70 -12.662 -0.631 -9.932 524 1HH1 ARG 70 1HH1 ARG 70 -15.954 -0.808 -11.158 525 2HH1 ARG 70 2HH1 ARG 70 -16.655 -0.998 -9.575 526 1HH2 ARG 70 1HH2 ARG 70 -13.613 -0.868 -7.856 527 2HH2 ARG 70 2HH2 ARG 70 -15.340 -1.068 -7.720 528 H ALA 71 H ALA 71 -10.288 -2.897 -10.896 529 HA ALA 71 HA ALA 71 -8.558 -1.270 -12.324 530 1HB ALA 71 1HB ALA 71 -8.175 -2.453 -9.594 531 2HB ALA 71 2HB ALA 71 -9.107 -1.002 -9.970 532 3HB ALA 71 3HB ALA 71 -7.365 -1.031 -10.252 533 H ALA 72 H ALA 72 -7.954 -4.673 -11.113 534 HA ALA 72 HA ALA 72 -5.264 -4.672 -11.977 535 1HB ALA 72 1HB ALA 72 -7.061 -7.079 -11.864 536 2HB ALA 72 2HB ALA 72 -6.091 -6.448 -10.532 537 3HB ALA 72 3HB ALA 72 -5.302 -7.083 -11.975 538 H ALA 73 H ALA 73 -8.281 -5.346 -13.759 539 HA ALA 73 HA ALA 73 -7.083 -6.287 -16.104 540 1HB ALA 73 1HB ALA 73 -9.514 -6.232 -15.786 541 2HB ALA 73 2HB ALA 73 -9.054 -5.444 -17.295 542 3HB ALA 73 3HB ALA 73 -9.493 -4.472 -15.890 543 H ARG 74 H ARG 74 -7.611 -2.964 -14.994 544 HA ARG 74 HA ARG 74 -6.227 -1.645 -17.066 545 1HB ARG 74 1HB ARG 74 -6.591 -0.937 -14.174 546 2HB ARG 74 2HB ARG 74 -5.628 0.068 -15.247 547 1HG ARG 74 1HG ARG 74 -7.847 -0.166 -16.730 548 2HG ARG 74 2HG ARG 74 -8.544 -0.314 -15.114 549 1HD ARG 74 1HD ARG 74 -8.527 2.014 -15.824 550 2HD ARG 74 2HD ARG 74 -7.443 1.773 -14.454 551 HE ARG 74 HE ARG 74 -6.268 1.677 -17.127 552 1HH1 ARG 74 1HH1 ARG 74 -6.818 3.509 -14.189 553 2HH1 ARG 74 2HH1 ARG 74 -5.546 4.640 -14.517 554 1HH2 ARG 74 1HH2 ARG 74 -4.589 3.160 -17.550 555 2HH2 ARG 74 2HH2 ARG 74 -4.267 4.445 -16.417 556 H ALA 75 H ALA 75 -4.897 -2.808 -13.958 557 HA ALA 75 HA ALA 75 -2.294 -2.002 -14.025 558 1HB ALA 75 1HB ALA 75 -3.238 -3.303 -12.187 559 2HB ALA 75 2HB ALA 75 -1.702 -3.983 -12.725 560 3HB ALA 75 3HB ALA 75 -3.219 -4.752 -13.190 561 H GLY 76 H GLY 76 -3.565 -4.891 -15.667 562 1HA GLY 76 1HA GLY 76 -0.861 -5.161 -16.863 563 2HA GLY 76 2HA GLY 76 -1.888 -6.544 -16.515 564 H HIS 77 H HIS 77 -2.928 -3.490 -17.900 565 HA HIS 77 HA HIS 77 -4.236 -4.696 -20.103 566 1HB HIS 77 1HB HIS 77 -4.892 -2.516 -19.128 567 2HB HIS 77 2HB HIS 77 -3.400 -1.808 -19.732 568 HD1 HIS 77 HD1 HIS 77 -6.716 -3.148 -20.907 569 HD2 HIS 77 HD2 HIS 77 -3.441 -1.060 -22.398 570 HE1 HIS 77 HE1 HIS 77 -7.407 -2.331 -23.184 571 HE2 HIS 77 HE2 HIS 77 -5.337 -1.268 -24.150 572 H ALA 78 H ALA 78 -1.002 -3.612 -19.592 573 HA ALA 78 HA ALA 78 -0.404 -3.990 -22.455 574 1HB ALA 78 1HB ALA 78 0.039 -1.707 -21.679 575 2HB ALA 78 2HB ALA 78 1.529 -2.532 -22.137 576 3HB ALA 78 3HB ALA 78 1.115 -2.341 -20.433 577 H ALA 79 H ALA 79 -0.498 -5.845 -19.977 578 HA ALA 79 HA ALA 79 2.197 -6.971 -20.347 579 1HB ALA 79 1HB ALA 79 2.207 -7.692 -18.025 580 2HB ALA 79 2HB ALA 79 0.623 -6.958 -17.777 581 3HB ALA 79 3HB ALA 79 2.021 -5.940 -18.130 582 H THR 80 H THR 80 1.686 -8.561 -21.775 583 HA THR 80 HA THR 80 0.110 -10.765 -20.702 584 HB THR 80 HB THR 80 -0.352 -9.749 -23.515 585 HG1 THR 80 HG1 THR 80 -1.462 -9.016 -21.103 586 1HG2 THR 80 1HG2 THR 80 -0.721 -12.154 -23.221 587 2HG2 THR 80 2HG2 THR 80 -2.247 -11.311 -23.480 588 3HG2 THR 80 3HG2 THR 80 -1.792 -11.828 -21.857 Start of MODEL 3 1 H MET 1 H MET 1 9.772 1.600 2.313 2 HA MET 1 HA MET 1 7.866 1.237 0.953 3 1HB MET 1 1HB MET 1 9.290 1.595 -1.180 4 2HB MET 1 2HB MET 1 9.675 -0.114 -1.052 5 1HG MET 1 1HG MET 1 6.858 0.924 -1.201 6 2HG MET 1 2HG MET 1 7.809 0.509 -2.624 7 1HE MET 1 1HE MET 1 5.246 -2.446 -2.396 8 2HE MET 1 2HE MET 1 5.921 -1.178 -3.422 9 3HE MET 1 3HE MET 1 4.954 -0.749 -2.011 10 H HIS 2 H HIS 2 6.737 -0.691 1.313 11 HA HIS 2 HA HIS 2 8.328 -3.017 2.073 12 1HB HIS 2 1HB HIS 2 7.211 -3.298 4.197 13 2HB HIS 2 2HB HIS 2 7.939 -1.698 4.149 14 HD1 HIS 2 HD1 HIS 2 4.966 -3.301 5.181 15 HD2 HIS 2 HD2 HIS 2 5.782 0.299 3.272 16 HE1 HIS 2 HE1 HIS 2 2.927 -1.871 5.535 17 HE2 HIS 2 HE2 HIS 2 3.356 0.212 4.178 18 H ALA 3 H ALA 3 7.545 -4.743 1.126 19 HA ALA 3 HA ALA 3 4.646 -5.068 0.839 20 1HB ALA 3 1HB ALA 3 5.455 -4.224 -1.318 21 2HB ALA 3 2HB ALA 3 4.902 -5.892 -1.450 22 3HB ALA 3 3HB ALA 3 6.628 -5.538 -1.393 23 H LYS 4 H LYS 4 3.965 -7.203 1.050 24 HA LYS 4 HA LYS 4 6.044 -9.236 1.299 25 1HB LYS 4 1HB LYS 4 5.165 -10.077 3.398 26 2HB LYS 4 2HB LYS 4 5.643 -8.396 3.575 27 1HG LYS 4 1HG LYS 4 3.288 -7.722 3.403 28 2HG LYS 4 2HG LYS 4 2.825 -9.421 3.262 29 1HD LYS 4 1HD LYS 4 3.880 -9.843 5.468 30 2HD LYS 4 2HD LYS 4 4.210 -8.116 5.606 31 1HE LYS 4 1HE LYS 4 1.479 -9.381 5.378 32 2HE LYS 4 2HE LYS 4 2.207 -8.768 6.861 33 1HZ LYS 4 1HZ LYS 4 2.315 -6.554 5.717 34 2HZ LYS 4 2HZ LYS 4 0.758 -7.106 6.072 35 3HZ LYS 4 3HZ LYS 4 1.346 -7.211 4.485 36 H VAL 5 H VAL 5 5.217 -11.410 1.301 37 HA VAL 5 HA VAL 5 3.129 -11.822 -0.610 38 HB VAL 5 HB VAL 5 5.003 -13.342 -0.588 39 1HG1 VAL 5 1HG1 VAL 5 5.540 -14.778 1.327 40 2HG1 VAL 5 2HG1 VAL 5 4.286 -13.977 2.273 41 3HG1 VAL 5 3HG1 VAL 5 5.693 -13.067 1.725 42 1HG2 VAL 5 1HG2 VAL 5 2.889 -14.386 -1.183 43 2HG2 VAL 5 2HG2 VAL 5 2.587 -14.777 0.510 44 3HG2 VAL 5 3HG2 VAL 5 3.931 -15.535 -0.344 45 H GLY 6 H GLY 6 1.130 -13.008 -0.202 46 1HA GLY 6 1HA GLY 6 -0.710 -13.641 1.109 47 2HA GLY 6 2HA GLY 6 0.203 -13.216 2.556 48 H ASP 7 H ASP 7 0.257 -11.040 0.013 49 HA ASP 7 HA ASP 7 -1.794 -9.185 1.179 50 1HB ASP 7 1HB ASP 7 1.185 -8.754 0.915 51 2HB ASP 7 2HB ASP 7 0.085 -7.401 0.699 52 H TYR 8 H TYR 8 -1.532 -7.157 -0.324 53 HA TYR 8 HA TYR 8 -1.702 -8.164 -3.092 54 1HB TYR 8 1HB TYR 8 -3.807 -6.568 -1.595 55 2HB TYR 8 2HB TYR 8 -3.824 -6.829 -3.326 56 HD1 TYR 8 HD1 TYR 8 -4.180 -8.531 -0.045 57 HD2 TYR 8 HD2 TYR 8 -4.783 -8.747 -4.248 58 HE1 TYR 8 HE1 TYR 8 -5.651 -10.489 0.255 59 HE2 TYR 8 HE2 TYR 8 -6.241 -10.708 -3.955 60 HH TYR 8 HH TYR 8 -6.425 -12.571 -2.073 61 H LEU 9 H LEU 9 -2.185 -6.204 -4.562 62 HA LEU 9 HA LEU 9 -0.554 -3.942 -3.671 63 1HB LEU 9 1HB LEU 9 1.000 -5.549 -4.601 64 2HB LEU 9 2HB LEU 9 0.006 -5.748 -6.026 65 HG LEU 9 HG LEU 9 1.171 -3.050 -5.448 66 1HD1 LEU 9 1HD1 LEU 9 2.645 -5.349 -6.722 67 2HD1 LEU 9 2HD1 LEU 9 3.038 -4.597 -5.177 68 3HD1 LEU 9 3HD1 LEU 9 3.192 -3.674 -6.671 69 1HD2 LEU 9 1HD2 LEU 9 1.216 -2.936 -7.893 70 2HD2 LEU 9 2HD2 LEU 9 -0.402 -3.299 -7.299 71 3HD2 LEU 9 3HD2 LEU 9 0.592 -4.584 -7.984 72 H VAL 10 H VAL 10 -1.092 -2.065 -4.539 73 HA VAL 10 HA VAL 10 -2.703 -1.963 -6.982 74 HB VAL 10 HB VAL 10 -3.354 -0.210 -4.597 75 1HG1 VAL 10 1HG1 VAL 10 -4.855 -0.787 -7.146 76 2HG1 VAL 10 2HG1 VAL 10 -3.987 0.700 -6.761 77 3HG1 VAL 10 3HG1 VAL 10 -5.419 0.248 -5.834 78 1HG2 VAL 10 1HG2 VAL 10 -5.357 -1.564 -4.247 79 2HG2 VAL 10 2HG2 VAL 10 -3.887 -2.502 -3.986 80 3HG2 VAL 10 3HG2 VAL 10 -4.804 -2.698 -5.479 81 H VAL 11 H VAL 11 -2.704 0.359 -7.806 82 HA VAL 11 HA VAL 11 -0.310 1.857 -6.967 83 HB VAL 11 HB VAL 11 -1.012 1.163 -9.834 84 1HG1 VAL 11 1HG1 VAL 11 -0.139 3.421 -9.676 85 2HG1 VAL 11 2HG1 VAL 11 1.042 2.355 -10.437 86 3HG1 VAL 11 3HG1 VAL 11 1.246 2.840 -8.753 87 1HG2 VAL 11 1HG2 VAL 11 0.033 -0.706 -8.675 88 2HG2 VAL 11 2HG2 VAL 11 1.354 0.340 -8.151 89 3HG2 VAL 11 3HG2 VAL 11 1.138 -0.018 -9.865 90 H LYS 12 H LYS 12 -0.486 4.069 -7.193 91 HA LYS 12 HA LYS 12 -3.115 5.102 -7.033 92 1HB LYS 12 1HB LYS 12 -1.150 6.032 -5.836 93 2HB LYS 12 2HB LYS 12 -0.520 6.614 -7.370 94 1HG LYS 12 1HG LYS 12 -2.558 8.001 -7.619 95 2HG LYS 12 2HG LYS 12 -3.056 7.481 -6.010 96 1HD LYS 12 1HD LYS 12 -0.487 8.933 -6.636 97 2HD LYS 12 2HD LYS 12 -1.954 9.700 -6.028 98 1HE LYS 12 1HE LYS 12 -0.993 9.376 -4.020 99 2HE LYS 12 2HE LYS 12 -1.622 7.739 -4.196 100 1HZ LYS 12 1HZ LYS 12 0.536 7.062 -5.109 101 2HZ LYS 12 2HZ LYS 12 0.694 7.709 -3.549 102 3HZ LYS 12 3HZ LYS 12 1.125 8.636 -4.896 103 H GLY 13 H GLY 13 -0.562 6.097 -9.328 104 1HA GLY 13 1HA GLY 13 -0.692 6.534 -11.594 105 2HA GLY 13 2HA GLY 13 -2.303 5.833 -11.595 106 H THR 14 H THR 14 -3.771 7.380 -10.025 107 HA THR 14 HA THR 14 -3.523 10.075 -11.196 108 HB THR 14 HB THR 14 -6.094 8.810 -10.234 109 HG1 THR 14 HG1 THR 14 -4.701 7.928 -12.226 110 1HG2 THR 14 1HG2 THR 14 -7.123 10.483 -11.697 111 2HG2 THR 14 2HG2 THR 14 -5.528 11.071 -12.162 112 3HG2 THR 14 3HG2 THR 14 -6.085 11.254 -10.500 113 H THR 15 H THR 15 -3.619 11.813 -9.827 114 HA THR 15 HA THR 15 -2.758 11.418 -7.194 115 HB THR 15 HB THR 15 -3.904 13.955 -8.377 116 HG1 THR 15 HG1 THR 15 -2.220 13.766 -9.654 117 1HG2 THR 15 1HG2 THR 15 -3.601 14.073 -5.949 118 2HG2 THR 15 2HG2 THR 15 -2.417 15.082 -6.779 119 3HG2 THR 15 3HG2 THR 15 -1.936 13.518 -6.122 120 H THR 16 H THR 16 -5.968 11.665 -8.461 121 HA THR 16 HA THR 16 -7.220 12.369 -5.974 122 HB THR 16 HB THR 16 -8.212 12.890 -8.210 123 HG1 THR 16 HG1 THR 16 -9.447 12.394 -6.069 124 1HG2 THR 16 1HG2 THR 16 -9.423 11.132 -9.412 125 2HG2 THR 16 2HG2 THR 16 -8.785 9.928 -8.289 126 3HG2 THR 16 3HG2 THR 16 -7.689 10.804 -9.360 127 H GLU 17 H GLU 17 -9.315 10.567 -5.703 128 HA GLU 17 HA GLU 17 -7.959 8.475 -4.281 129 1HB GLU 17 1HB GLU 17 -10.893 9.082 -4.657 130 2HB GLU 17 2HB GLU 17 -10.289 7.776 -3.651 131 1HG GLU 17 1HG GLU 17 -10.809 9.587 -2.223 132 2HG GLU 17 2HG GLU 17 -9.053 9.484 -2.313 133 H ARG 18 H ARG 18 -7.684 8.309 -7.178 134 HA ARG 18 HA ARG 18 -9.240 5.915 -7.822 135 1HB ARG 18 1HB ARG 18 -9.193 7.628 -9.555 136 2HB ARG 18 2HB ARG 18 -7.435 7.616 -9.554 137 1HG ARG 18 1HG ARG 18 -7.358 5.436 -10.484 138 2HG ARG 18 2HG ARG 18 -9.088 5.199 -10.233 139 1HD ARG 18 1HD ARG 18 -7.858 7.235 -12.089 140 2HD ARG 18 2HD ARG 18 -8.533 5.682 -12.583 141 HE ARG 18 HE ARG 18 -10.340 7.385 -11.092 142 1HH1 ARG 18 1HH1 ARG 18 -9.189 6.430 -14.257 143 2HH1 ARG 18 2HH1 ARG 18 -10.617 6.974 -15.082 144 1HH2 ARG 18 1HH2 ARG 18 -12.202 8.104 -12.155 145 2HH2 ARG 18 2HH2 ARG 18 -12.329 7.969 -13.885 146 H HIS 19 H HIS 19 -8.354 3.935 -7.935 147 HA HIS 19 HA HIS 19 -5.444 3.675 -7.845 148 1HB HIS 19 1HB HIS 19 -7.351 2.353 -5.900 149 2HB HIS 19 2HB HIS 19 -5.661 1.906 -6.087 150 HD1 HIS 19 HD1 HIS 19 -3.884 3.669 -5.267 151 HD2 HIS 19 HD2 HIS 19 -7.831 4.573 -4.342 152 HE1 HIS 19 HE1 HIS 19 -3.771 5.460 -3.506 153 HE2 HIS 19 HE2 HIS 19 -6.171 5.840 -2.820 154 H ASP 20 H ASP 20 -4.881 2.393 -9.452 155 HA ASP 20 HA ASP 20 -6.619 0.107 -10.085 156 1HB ASP 20 1HB ASP 20 -5.309 2.041 -11.971 157 2HB ASP 20 2HB ASP 20 -5.645 0.390 -12.484 158 H GLN 21 H GLN 21 -5.131 -1.334 -11.744 159 HA GLN 21 HA GLN 21 -3.577 -2.982 -11.718 160 1HB GLN 21 1HB GLN 21 -1.830 -1.027 -10.208 161 2HB GLN 21 2HB GLN 21 -1.296 -2.494 -11.013 162 1HG GLN 21 1HG GLN 21 -2.158 -1.468 -13.159 163 2HG GLN 21 2HG GLN 21 -2.308 0.041 -12.258 164 1HE2 GLN 21 1HE2 GLN 21 -0.755 1.112 -13.447 165 2HE2 GLN 21 2HE2 GLN 21 0.925 0.730 -13.341 166 H HIS 22 H HIS 22 -4.556 -4.539 -10.434 167 HA HIS 22 HA HIS 22 -3.720 -4.542 -7.631 168 1HB HIS 22 1HB HIS 22 -6.025 -3.548 -7.808 169 2HB HIS 22 2HB HIS 22 -6.585 -5.106 -8.401 170 HD1 HIS 22 HD1 HIS 22 -7.246 -3.516 -5.609 171 HD2 HIS 22 HD2 HIS 22 -4.999 -6.969 -6.136 172 HE1 HIS 22 HE1 HIS 22 -7.329 -4.720 -3.407 173 HE2 HIS 22 HE2 HIS 22 -6.103 -6.885 -3.810 174 H ALA 23 H ALA 23 -2.872 -6.325 -7.123 175 HA ALA 23 HA ALA 23 -3.758 -8.951 -8.122 176 1HB ALA 23 1HB ALA 23 -1.465 -9.618 -8.543 177 2HB ALA 23 2HB ALA 23 -0.892 -8.002 -8.131 178 3HB ALA 23 3HB ALA 23 -1.900 -8.244 -9.558 179 H GLU 24 H GLU 24 -2.323 -10.630 -6.898 180 HA GLU 24 HA GLU 24 -1.822 -9.724 -4.134 181 1HB GLU 24 1HB GLU 24 -3.993 -10.923 -4.117 182 2HB GLU 24 2HB GLU 24 -3.210 -12.322 -4.846 183 1HG GLU 24 1HG GLU 24 -1.603 -12.134 -2.795 184 2HG GLU 24 2HG GLU 24 -2.927 -11.220 -2.086 185 H ILE 25 H ILE 25 -0.173 -10.532 -3.198 186 HA ILE 25 HA ILE 25 1.816 -11.628 -4.993 187 HB ILE 25 HB ILE 25 2.077 -10.395 -2.247 188 1HG1 ILE 25 1HG1 ILE 25 2.503 -9.132 -4.965 189 2HG1 ILE 25 2HG1 ILE 25 1.107 -8.847 -3.930 190 1HG2 ILE 25 1HG2 ILE 25 3.964 -11.792 -2.825 191 2HG2 ILE 25 2HG2 ILE 25 4.421 -10.090 -2.851 192 3HG2 ILE 25 3HG2 ILE 25 4.138 -10.950 -4.364 193 1HD1 ILE 25 1HD1 ILE 25 2.584 -7.894 -2.225 194 2HD1 ILE 25 2HD1 ILE 25 2.694 -7.030 -3.758 195 3HD1 ILE 25 3HD1 ILE 25 3.965 -8.157 -3.288 196 H ILE 26 H ILE 26 2.036 -13.766 -4.977 197 HA ILE 26 HA ILE 26 2.139 -15.142 -2.385 198 HB ILE 26 HB ILE 26 2.030 -17.272 -3.575 199 1HG1 ILE 26 1HG1 ILE 26 3.084 -16.360 -5.731 200 2HG1 ILE 26 2HG1 ILE 26 1.751 -17.486 -5.934 201 1HG2 ILE 26 1HG2 ILE 26 -0.313 -17.099 -4.359 202 2HG2 ILE 26 2HG2 ILE 26 -0.172 -15.342 -4.377 203 3HG2 ILE 26 3HG2 ILE 26 -0.058 -16.220 -2.851 204 1HD1 ILE 26 1HD1 ILE 26 1.615 -15.648 -7.509 205 2HD1 ILE 26 2HD1 ILE 26 1.582 -14.493 -6.177 206 3HD1 ILE 26 3HD1 ILE 26 0.249 -15.626 -6.394 207 H GLU 27 H GLU 27 3.994 -13.942 -4.971 208 HA GLU 27 HA GLU 27 6.388 -14.837 -3.563 209 1HB GLU 27 1HB GLU 27 5.910 -15.086 -6.526 210 2HB GLU 27 2HB GLU 27 7.534 -14.971 -5.860 211 1HG GLU 27 1HG GLU 27 6.923 -16.944 -4.402 212 2HG GLU 27 2HG GLU 27 5.500 -17.128 -5.427 213 H VAL 28 H VAL 28 8.228 -13.456 -3.917 214 HA VAL 28 HA VAL 28 7.481 -10.705 -4.650 215 HB VAL 28 HB VAL 28 8.924 -11.378 -2.076 216 1HG1 VAL 28 1HG1 VAL 28 8.421 -9.046 -1.506 217 2HG1 VAL 28 2HG1 VAL 28 7.671 -8.831 -3.089 218 3HG1 VAL 28 3HG1 VAL 28 9.397 -9.180 -2.969 219 1HG2 VAL 28 1HG2 VAL 28 6.663 -12.247 -1.892 220 2HG2 VAL 28 2HG2 VAL 28 6.007 -10.695 -2.413 221 3HG2 VAL 28 3HG2 VAL 28 6.863 -10.818 -0.876 222 H ARG 29 H ARG 29 9.046 -10.384 -6.254 223 HA ARG 29 HA ARG 29 11.503 -11.960 -6.028 224 1HB ARG 29 1HB ARG 29 10.121 -10.736 -8.408 225 2HB ARG 29 2HB ARG 29 11.672 -11.554 -8.497 226 1HG ARG 29 1HG ARG 29 9.111 -12.827 -7.556 227 2HG ARG 29 2HG ARG 29 9.776 -12.970 -9.182 228 1HD ARG 29 1HD ARG 29 10.498 -14.918 -8.139 229 2HD ARG 29 2HD ARG 29 11.892 -13.850 -8.007 230 HE ARG 29 HE ARG 29 10.009 -14.082 -5.763 231 1HH1 ARG 29 1HH1 ARG 29 13.230 -14.485 -7.074 232 2HH1 ARG 29 2HH1 ARG 29 13.943 -14.883 -5.541 233 1HH2 ARG 29 1HH2 ARG 29 10.940 -14.618 -3.743 234 2HH2 ARG 29 2HH2 ARG 29 12.642 -14.966 -3.655 235 H SER 30 H SER 30 11.273 -9.356 -4.682 236 HA SER 30 HA SER 30 13.587 -8.143 -6.022 237 1HB SER 30 1HB SER 30 12.829 -6.002 -4.767 238 2HB SER 30 2HB SER 30 11.979 -6.470 -6.240 239 HG SER 30 HG SER 30 10.236 -6.668 -5.114 240 H ALA 31 H ALA 31 12.333 -7.219 -2.894 241 HA ALA 31 HA ALA 31 13.791 -8.856 -1.192 242 1HB ALA 31 1HB ALA 31 15.803 -7.952 -2.269 243 2HB ALA 31 2HB ALA 31 15.709 -7.473 -0.575 244 3HB ALA 31 3HB ALA 31 15.297 -6.317 -1.843 245 H ASP 32 H ASP 32 13.561 -5.329 -1.474 246 HA ASP 32 HA ASP 32 12.338 -5.184 1.172 247 1HB ASP 32 1HB ASP 32 13.299 -3.010 -0.708 248 2HB ASP 32 2HB ASP 32 12.636 -2.727 0.897 249 H GLY 33 H GLY 33 11.778 -3.796 -2.049 250 1HA GLY 33 1HA GLY 33 9.097 -4.490 -2.282 251 2HA GLY 33 2HA GLY 33 9.141 -2.934 -1.464 252 H SER 34 H SER 34 10.180 -4.642 -4.361 253 HA SER 34 HA SER 34 9.516 -2.337 -5.972 254 1HB SER 34 1HB SER 34 12.336 -3.463 -5.949 255 2HB SER 34 2HB SER 34 11.725 -2.282 -7.109 256 HG SER 34 HG SER 34 11.266 -1.531 -4.532 257 HA PRO 35 HA PRO 35 8.621 -5.556 -8.958 258 1HB PRO 35 1HB PRO 35 9.502 -4.459 -11.305 259 2HB PRO 35 2HB PRO 35 7.982 -4.010 -10.525 260 1HG PRO 35 1HG PRO 35 10.629 -2.617 -10.464 261 2HG PRO 35 2HG PRO 35 9.003 -1.925 -10.623 262 1HD PRO 35 1HD PRO 35 10.350 -1.906 -8.285 263 2HD PRO 35 2HD PRO 35 8.584 -2.068 -8.357 264 HA PRO 36 HA PRO 36 8.588 -6.738 -10.723 265 1HB PRO 36 1HB PRO 36 8.928 -9.269 -11.490 266 2HB PRO 36 2HB PRO 36 9.618 -7.935 -12.422 267 1HG PRO 36 1HG PRO 36 10.949 -9.822 -10.537 268 2HG PRO 36 2HG PRO 36 11.561 -9.121 -12.044 269 1HD PRO 36 1HD PRO 36 12.128 -8.216 -9.458 270 2HD PRO 36 2HD PRO 36 12.410 -7.317 -10.960 271 H TYR 37 H TYR 37 7.105 -8.707 -10.371 272 HA TYR 37 HA TYR 37 7.477 -9.967 -7.752 273 1HB TYR 37 1HB TYR 37 4.945 -8.568 -8.655 274 2HB TYR 37 2HB TYR 37 5.084 -9.570 -7.219 275 HD1 TYR 37 HD1 TYR 37 6.490 -8.774 -5.304 276 HD2 TYR 37 HD2 TYR 37 5.598 -6.296 -8.643 277 HE1 TYR 37 HE1 TYR 37 7.071 -6.787 -3.976 278 HE2 TYR 37 HE2 TYR 37 6.181 -4.304 -7.328 279 HH TYR 37 HH TYR 37 7.812 -4.462 -4.377 280 H VAL 38 H VAL 38 5.683 -11.680 -7.501 281 HA VAL 38 HA VAL 38 4.761 -12.684 -10.097 282 HB VAL 38 HB VAL 38 6.127 -14.437 -8.033 283 1HG1 VAL 38 1HG1 VAL 38 4.667 -15.178 -10.580 284 2HG1 VAL 38 2HG1 VAL 38 4.110 -15.506 -8.939 285 3HG1 VAL 38 3HG1 VAL 38 5.564 -16.295 -9.551 286 1HG2 VAL 38 1HG2 VAL 38 7.632 -14.996 -9.887 287 2HG2 VAL 38 2HG2 VAL 38 7.681 -13.272 -9.514 288 3HG2 VAL 38 3HG2 VAL 38 6.781 -13.846 -10.918 289 H VAL 39 H VAL 39 2.737 -13.114 -9.995 290 HA VAL 39 HA VAL 39 1.481 -12.669 -7.402 291 HB VAL 39 HB VAL 39 2.337 -10.644 -9.070 292 1HG1 VAL 39 1HG1 VAL 39 0.340 -9.566 -9.982 293 2HG1 VAL 39 2HG1 VAL 39 -0.603 -11.000 -9.575 294 3HG1 VAL 39 3HG1 VAL 39 0.700 -11.108 -10.759 295 1HG2 VAL 39 1HG2 VAL 39 1.014 -9.150 -7.664 296 2HG2 VAL 39 2HG2 VAL 39 1.851 -10.393 -6.734 297 3HG2 VAL 39 3HG2 VAL 39 0.120 -10.539 -7.044 298 H ARG 40 H ARG 40 -0.975 -12.578 -7.776 299 HA ARG 40 HA ARG 40 -1.740 -14.045 -10.182 300 1HB ARG 40 1HB ARG 40 -1.442 -15.744 -8.461 301 2HB ARG 40 2HB ARG 40 -2.454 -14.838 -7.347 302 1HG ARG 40 1HG ARG 40 -4.369 -15.172 -8.858 303 2HG ARG 40 2HG ARG 40 -3.339 -16.138 -9.911 304 1HD ARG 40 1HD ARG 40 -3.914 -16.770 -7.021 305 2HD ARG 40 2HD ARG 40 -4.756 -17.491 -8.390 306 HE ARG 40 HE ARG 40 -1.878 -17.783 -8.421 307 1HH1 ARG 40 1HH1 ARG 40 -4.953 -19.169 -7.486 308 2HH1 ARG 40 2HH1 ARG 40 -4.338 -20.800 -7.409 309 1HH2 ARG 40 1HH2 ARG 40 -1.058 -19.899 -8.312 310 2HH2 ARG 40 2HH2 ARG 40 -2.114 -21.212 -7.850 311 H TRP 41 H TRP 41 -3.479 -13.186 -11.100 312 HA TRP 41 HA TRP 41 -5.091 -11.227 -9.726 313 1HB TRP 41 1HB TRP 41 -5.993 -12.579 -12.248 314 2HB TRP 41 2HB TRP 41 -6.207 -10.907 -11.752 315 HD1 TRP 41 HD1 TRP 41 -4.238 -13.002 -14.033 316 HE1 TRP 41 HE1 TRP 41 -2.294 -11.675 -15.077 317 HE3 TRP 41 HE3 TRP 41 -4.307 -8.932 -10.935 318 HZ2 TRP 41 HZ2 TRP 41 -0.976 -9.209 -14.631 319 HZ3 TRP 41 HZ3 TRP 41 -2.673 -7.136 -11.314 320 HH2 TRP 41 HH2 TRP 41 -1.041 -7.271 -13.125 321 H LEU 42 H LEU 42 -5.869 -12.374 -7.945 322 HA LEU 42 HA LEU 42 -6.524 -15.127 -8.030 323 1HB LEU 42 1HB LEU 42 -7.836 -13.346 -6.038 324 2HB LEU 42 2HB LEU 42 -7.188 -14.957 -5.829 325 HG LEU 42 HG LEU 42 -5.598 -12.412 -6.049 326 1HD1 LEU 42 1HD1 LEU 42 -6.835 -12.689 -3.978 327 2HD1 LEU 42 2HD1 LEU 42 -5.100 -12.860 -3.718 328 3HD1 LEU 42 3HD1 LEU 42 -6.131 -14.291 -3.767 329 1HD2 LEU 42 1HD2 LEU 42 -4.392 -14.295 -7.036 330 2HD2 LEU 42 2HD2 LEU 42 -4.672 -15.242 -5.574 331 3HD2 LEU 42 3HD2 LEU 42 -3.668 -13.794 -5.510 332 H VAL 43 H VAL 43 -8.714 -12.431 -7.440 333 HA VAL 43 HA VAL 43 -11.057 -13.924 -7.680 334 HB VAL 43 HB VAL 43 -12.037 -11.509 -8.099 335 1HG1 VAL 43 1HG1 VAL 43 -10.634 -12.308 -5.551 336 2HG1 VAL 43 2HG1 VAL 43 -12.258 -12.800 -6.032 337 3HG1 VAL 43 3HG1 VAL 43 -11.917 -11.106 -5.680 338 1HG2 VAL 43 1HG2 VAL 43 -10.576 -9.755 -7.215 339 2HG2 VAL 43 2HG2 VAL 43 -9.879 -10.476 -8.666 340 3HG2 VAL 43 3HG2 VAL 43 -9.258 -10.919 -7.076 341 H ASN 44 H ASN 44 -9.233 -12.061 -10.030 342 HA ASN 44 HA ASN 44 -10.941 -12.346 -12.222 343 1HB ASN 44 1HB ASN 44 -7.930 -12.147 -12.100 344 2HB ASN 44 2HB ASN 44 -8.856 -12.074 -13.597 345 1HD2 ASN 44 1HD2 ASN 44 -8.112 -10.449 -10.604 346 2HD2 ASN 44 2HD2 ASN 44 -8.716 -8.898 -11.068 347 H GLY 45 H GLY 45 -7.967 -14.278 -11.656 348 1HA GLY 45 1HA GLY 45 -8.497 -16.736 -11.387 349 2HA GLY 45 2HA GLY 45 -9.388 -16.557 -12.884 350 H HIS 46 H HIS 46 -6.245 -14.984 -12.393 351 HA HIS 46 HA HIS 46 -4.954 -17.150 -13.897 352 1HB HIS 46 1HB HIS 46 -5.761 -15.201 -15.427 353 2HB HIS 46 2HB HIS 46 -4.401 -14.317 -14.738 354 HD1 HIS 46 HD1 HIS 46 -2.387 -14.455 -16.201 355 HD2 HIS 46 HD2 HIS 46 -4.719 -17.904 -16.393 356 HE1 HIS 46 HE1 HIS 46 -1.184 -16.012 -17.768 357 HE2 HIS 46 HE2 HIS 46 -2.529 -18.146 -17.742 358 H GLU 47 H GLU 47 -2.489 -16.732 -14.021 359 HA GLU 47 HA GLU 47 -1.522 -15.428 -11.576 360 1HB GLU 47 1HB GLU 47 -1.956 -17.760 -10.993 361 2HB GLU 47 2HB GLU 47 -1.000 -18.301 -12.362 362 1HG GLU 47 1HG GLU 47 1.002 -17.357 -11.347 363 2HG GLU 47 2HG GLU 47 0.042 -16.794 -9.976 364 H THR 48 H THR 48 0.399 -14.439 -11.834 365 HA THR 48 HA THR 48 1.710 -14.650 -14.439 366 HB THR 48 HB THR 48 -0.188 -13.112 -14.624 367 HG1 THR 48 HG1 THR 48 0.948 -11.524 -15.721 368 1HG2 THR 48 1HG2 THR 48 1.331 -11.452 -12.645 369 2HG2 THR 48 2HG2 THR 48 -0.231 -12.227 -12.380 370 3HG2 THR 48 3HG2 THR 48 -0.084 -10.915 -13.549 371 H THR 49 H THR 49 3.308 -12.766 -14.606 372 HA THR 49 HA THR 49 4.692 -12.123 -12.098 373 HB THR 49 HB THR 49 6.074 -13.131 -14.615 374 HG1 THR 49 HG1 THR 49 6.699 -14.529 -12.423 375 1HG2 THR 49 1HG2 THR 49 8.142 -12.969 -13.305 376 2HG2 THR 49 2HG2 THR 49 7.234 -12.274 -11.962 377 3HG2 THR 49 3HG2 THR 49 7.370 -11.393 -13.486 378 H VAL 50 H VAL 50 4.939 -9.912 -12.075 379 HA VAL 50 HA VAL 50 4.549 -8.503 -14.644 380 HB VAL 50 HB VAL 50 2.754 -7.104 -13.560 381 1HG1 VAL 50 1HG1 VAL 50 0.977 -8.722 -14.065 382 2HG1 VAL 50 2HG1 VAL 50 2.176 -10.015 -14.087 383 3HG1 VAL 50 3HG1 VAL 50 2.247 -8.725 -15.286 384 1HG2 VAL 50 1HG2 VAL 50 1.485 -8.113 -11.729 385 2HG2 VAL 50 2HG2 VAL 50 3.144 -7.766 -11.242 386 3HG2 VAL 50 3HG2 VAL 50 2.667 -9.420 -11.627 387 H TYR 51 H TYR 51 4.332 -6.081 -14.213 388 HA TYR 51 HA TYR 51 6.162 -5.170 -12.107 389 1HB TYR 51 1HB TYR 51 6.176 -4.084 -14.932 390 2HB TYR 51 2HB TYR 51 7.314 -3.721 -13.641 391 HD1 TYR 51 HD1 TYR 51 9.103 -5.282 -13.087 392 HD2 TYR 51 HD2 TYR 51 6.337 -6.152 -16.201 393 HE1 TYR 51 HE1 TYR 51 10.592 -7.058 -13.911 394 HE2 TYR 51 HE2 TYR 51 7.814 -7.932 -17.030 395 HH TYR 51 HH TYR 51 10.215 -8.515 -16.946 396 HA PRO 52 HA PRO 52 2.465 -2.534 -11.802 397 1HB PRO 52 1HB PRO 52 2.855 -1.762 -9.266 398 2HB PRO 52 2HB PRO 52 2.288 -3.389 -9.658 399 1HG PRO 52 1HG PRO 52 5.054 -2.468 -8.961 400 2HG PRO 52 2HG PRO 52 4.173 -3.895 -8.383 401 1HD PRO 52 1HD PRO 52 6.033 -3.986 -10.379 402 2HD PRO 52 2HD PRO 52 4.669 -5.116 -10.260 403 H GLY 53 H GLY 53 5.616 -1.769 -12.236 404 1HA GLY 53 1HA GLY 53 6.605 0.227 -12.869 405 2HA GLY 53 2HA GLY 53 5.108 1.055 -12.470 406 H SER 54 H SER 54 4.770 1.822 -10.394 407 HA SER 54 HA SER 54 6.523 1.361 -8.225 408 1HB SER 54 1HB SER 54 7.999 2.762 -9.742 409 2HB SER 54 2HB SER 54 6.850 4.080 -9.523 410 HG SER 54 HG SER 54 8.861 3.426 -7.959 411 H ASP 55 H ASP 55 6.152 3.342 -6.577 412 HA ASP 55 HA ASP 55 4.644 4.285 -5.153 413 1HB ASP 55 1HB ASP 55 4.419 5.838 -7.127 414 2HB ASP 55 2HB ASP 55 3.031 4.888 -7.646 415 H ALA 56 H ALA 56 4.513 1.625 -5.329 416 HA ALA 56 HA ALA 56 1.798 0.731 -5.771 417 1HB ALA 56 1HB ALA 56 2.673 -1.499 -5.338 418 2HB ALA 56 2HB ALA 56 4.224 -0.811 -4.864 419 3HB ALA 56 3HB ALA 56 3.663 -0.656 -6.528 420 H VAL 57 H VAL 57 0.317 0.534 -4.251 421 HA VAL 57 HA VAL 57 1.147 0.702 -1.435 422 HB VAL 57 HB VAL 57 -1.216 1.269 -0.938 423 1HG1 VAL 57 1HG1 VAL 57 0.410 3.052 -1.231 424 2HG1 VAL 57 2HG1 VAL 57 -1.166 3.546 -1.853 425 3HG1 VAL 57 3HG1 VAL 57 0.110 3.060 -2.970 426 1HG2 VAL 57 1HG2 VAL 57 -1.533 1.343 -3.939 427 2HG2 VAL 57 2HG2 VAL 57 -2.725 1.903 -2.764 428 3HG2 VAL 57 3HG2 VAL 57 -2.296 0.193 -2.839 429 H VAL 58 H VAL 58 0.406 -0.835 0.047 430 HA VAL 58 HA VAL 58 -0.239 -3.381 -1.245 431 HB VAL 58 HB VAL 58 0.811 -2.941 1.552 432 1HG1 VAL 58 1HG1 VAL 58 0.723 -5.401 -0.190 433 2HG1 VAL 58 2HG1 VAL 58 -0.308 -5.085 1.203 434 3HG1 VAL 58 3HG1 VAL 58 1.428 -5.301 1.422 435 1HG2 VAL 58 1HG2 VAL 58 2.413 -2.069 -0.054 436 2HG2 VAL 58 2HG2 VAL 58 2.325 -3.564 -0.983 437 3HG2 VAL 58 3HG2 VAL 58 3.010 -3.575 0.642 438 H VAL 59 H VAL 59 -2.226 -4.115 -1.122 439 HA VAL 59 HA VAL 59 -4.031 -3.128 0.961 440 HB VAL 59 HB VAL 59 -5.722 -4.251 -0.716 441 1HG1 VAL 59 1HG1 VAL 59 -6.011 -2.086 -1.824 442 2HG1 VAL 59 2HG1 VAL 59 -4.434 -1.577 -1.217 443 3HG1 VAL 59 3HG1 VAL 59 -5.752 -1.901 -0.090 444 1HG2 VAL 59 1HG2 VAL 59 -3.410 -3.530 -2.488 445 2HG2 VAL 59 2HG2 VAL 59 -5.030 -3.964 -3.037 446 3HG2 VAL 59 3HG2 VAL 59 -4.033 -5.152 -2.199 447 H THR 60 H THR 60 -5.926 -4.767 1.147 448 HA THR 60 HA THR 60 -4.769 -7.388 1.893 449 HB THR 60 HB THR 60 -6.513 -7.250 3.780 450 HG1 THR 60 HG1 THR 60 -7.557 -5.388 4.097 451 1HG2 THR 60 1HG2 THR 60 -4.301 -5.196 3.754 452 2HG2 THR 60 2HG2 THR 60 -4.124 -6.896 4.187 453 3HG2 THR 60 3HG2 THR 60 -5.103 -5.828 5.193 454 H ALA 61 H ALA 61 -7.228 -8.527 2.756 455 HA ALA 61 HA ALA 61 -8.060 -9.672 0.354 456 1HB ALA 61 1HB ALA 61 -8.075 -10.809 2.519 457 2HB ALA 61 2HB ALA 61 -9.624 -10.934 1.685 458 3HB ALA 61 3HB ALA 61 -9.432 -9.805 3.026 459 H THR 62 H THR 62 -9.757 -7.212 2.346 460 HA THR 62 HA THR 62 -12.247 -7.533 1.027 461 HB THR 62 HB THR 62 -12.369 -4.959 1.804 462 HG1 THR 62 HG1 THR 62 -10.878 -4.496 3.243 463 1HG2 THR 62 1HG2 THR 62 -13.357 -5.799 3.884 464 2HG2 THR 62 2HG2 THR 62 -12.658 -7.385 3.565 465 3HG2 THR 62 3HG2 THR 62 -13.885 -6.728 2.483 466 H GLU 63 H GLU 63 -9.723 -5.095 0.599 467 HA GLU 63 HA GLU 63 -10.975 -3.733 -1.520 468 1HB GLU 63 1HB GLU 63 -8.002 -3.967 -1.024 469 2HB GLU 63 2HB GLU 63 -8.834 -2.676 -1.882 470 1HG GLU 63 1HG GLU 63 -8.877 -3.277 1.061 471 2HG GLU 63 2HG GLU 63 -8.269 -1.834 0.253 472 H HIS 64 H HIS 64 -9.504 -6.758 -1.364 473 HA HIS 64 HA HIS 64 -8.364 -6.872 -3.947 474 1HB HIS 64 1HB HIS 64 -7.420 -8.655 -3.035 475 2HB HIS 64 2HB HIS 64 -8.458 -8.490 -1.634 476 HD1 HIS 64 HD1 HIS 64 -10.400 -10.150 -1.394 477 HD2 HIS 64 HD2 HIS 64 -8.138 -10.697 -4.840 478 HE1 HIS 64 HE1 HIS 64 -11.001 -12.433 -2.242 479 HE2 HIS 64 HE2 HIS 64 -9.450 -12.830 -4.182 480 H ALA 65 H ALA 65 -11.620 -7.566 -2.767 481 HA ALA 65 HA ALA 65 -12.363 -9.302 -4.862 482 1HB ALA 65 1HB ALA 65 -14.659 -8.826 -4.188 483 2HB ALA 65 2HB ALA 65 -14.107 -7.435 -3.253 484 3HB ALA 65 3HB ALA 65 -13.631 -9.065 -2.775 485 H GLU 66 H GLU 66 -13.648 -6.088 -4.428 486 HA GLU 66 HA GLU 66 -14.507 -5.743 -7.073 487 1HB GLU 66 1HB GLU 66 -14.442 -3.219 -6.110 488 2HB GLU 66 2HB GLU 66 -15.699 -4.383 -5.713 489 1HG GLU 66 1HG GLU 66 -14.546 -4.966 -3.641 490 2HG GLU 66 2HG GLU 66 -13.236 -3.855 -4.041 491 H ALA 67 H ALA 67 -11.799 -4.216 -5.348 492 HA ALA 67 HA ALA 67 -11.012 -2.640 -7.533 493 1HB ALA 67 1HB ALA 67 -9.036 -2.097 -6.253 494 2HB ALA 67 2HB ALA 67 -9.366 -3.431 -5.145 495 3HB ALA 67 3HB ALA 67 -10.471 -2.058 -5.226 496 H GLU 68 H GLU 68 -10.015 -5.927 -6.547 497 HA GLU 68 HA GLU 68 -7.747 -5.866 -8.300 498 1HB GLU 68 1HB GLU 68 -7.877 -7.378 -6.355 499 2HB GLU 68 2HB GLU 68 -9.153 -8.272 -7.162 500 1HG GLU 68 1HG GLU 68 -7.651 -8.986 -8.877 501 2HG GLU 68 2HG GLU 68 -6.372 -7.943 -8.247 502 H LYS 69 H LYS 69 -11.121 -6.983 -8.614 503 HA LYS 69 HA LYS 69 -10.921 -8.109 -11.145 504 1HB LYS 69 1HB LYS 69 -13.089 -6.448 -9.884 505 2HB LYS 69 2HB LYS 69 -13.254 -7.071 -11.519 506 1HG LYS 69 1HG LYS 69 -13.019 -9.344 -10.705 507 2HG LYS 69 2HG LYS 69 -12.781 -8.746 -9.062 508 1HD LYS 69 1HD LYS 69 -15.006 -7.907 -8.960 509 2HD LYS 69 2HD LYS 69 -15.251 -8.180 -10.686 510 1HE LYS 69 1HE LYS 69 -14.718 -10.381 -8.696 511 2HE LYS 69 2HE LYS 69 -16.334 -9.867 -9.180 512 1HZ LYS 69 1HZ LYS 69 -15.567 -11.800 -10.438 513 2HZ LYS 69 2HZ LYS 69 -14.247 -10.911 -11.027 514 3HZ LYS 69 3HZ LYS 69 -15.828 -10.466 -11.455 515 H ARG 70 H ARG 70 -11.767 -4.673 -10.537 516 HA ARG 70 HA ARG 70 -11.510 -3.936 -13.267 517 1HB ARG 70 1HB ARG 70 -11.439 -1.579 -12.424 518 2HB ARG 70 2HB ARG 70 -12.792 -2.519 -11.818 519 1HG ARG 70 1HG ARG 70 -11.816 -2.727 -9.676 520 2HG ARG 70 2HG ARG 70 -10.254 -2.142 -10.253 521 1HD ARG 70 1HD ARG 70 -12.746 -0.458 -10.302 522 2HD ARG 70 2HD ARG 70 -11.657 -0.509 -8.919 523 HE ARG 70 HE ARG 70 -10.078 0.055 -11.121 524 1HH1 ARG 70 1HH1 ARG 70 -12.784 1.532 -9.472 525 2HH1 ARG 70 2HH1 ARG 70 -12.313 3.156 -9.870 526 1HH2 ARG 70 1HH2 ARG 70 -9.430 2.205 -11.629 527 2HH2 ARG 70 2HH2 ARG 70 -10.426 3.528 -11.097 528 H ALA 71 H ALA 71 -9.231 -3.691 -10.582 529 HA ALA 71 HA ALA 71 -7.385 -2.144 -12.115 530 1HB ALA 71 1HB ALA 71 -6.006 -2.181 -10.133 531 2HB ALA 71 2HB ALA 71 -7.045 -3.411 -9.415 532 3HB ALA 71 3HB ALA 71 -7.677 -1.795 -9.725 533 H ALA 72 H ALA 72 -7.853 -5.556 -11.655 534 HA ALA 72 HA ALA 72 -5.174 -6.245 -12.446 535 1HB ALA 72 1HB ALA 72 -7.676 -7.917 -12.616 536 2HB ALA 72 2HB ALA 72 -6.550 -7.878 -11.260 537 3HB ALA 72 3HB ALA 72 -6.024 -8.495 -12.826 538 H ALA 73 H ALA 73 -8.317 -5.907 -14.062 539 HA ALA 73 HA ALA 73 -7.498 -6.446 -16.680 540 1HB ALA 73 1HB ALA 73 -9.367 -5.052 -17.396 541 2HB ALA 73 2HB ALA 73 -9.486 -4.359 -15.778 542 3HB ALA 73 3HB ALA 73 -9.834 -6.070 -16.033 543 H ARG 74 H ARG 74 -6.991 -3.641 -14.668 544 HA ARG 74 HA ARG 74 -5.945 -1.988 -16.790 545 1HB ARG 74 1HB ARG 74 -6.498 -1.707 -13.915 546 2HB ARG 74 2HB ARG 74 -5.112 -0.787 -14.483 547 1HG ARG 74 1HG ARG 74 -7.788 -0.648 -15.835 548 2HG ARG 74 2HG ARG 74 -7.352 0.392 -14.477 549 1HD ARG 74 1HD ARG 74 -5.424 1.220 -15.733 550 2HD ARG 74 2HD ARG 74 -5.856 0.181 -17.089 551 HE ARG 74 HE ARG 74 -7.903 1.516 -17.310 552 1HH1 ARG 74 1HH1 ARG 74 -5.257 2.891 -15.466 553 2HH1 ARG 74 2HH1 ARG 74 -5.735 4.525 -15.765 554 1HH2 ARG 74 1HH2 ARG 74 -8.530 3.644 -17.702 555 2HH2 ARG 74 2HH2 ARG 74 -7.612 4.967 -17.034 556 H ALA 75 H ALA 75 -4.507 -3.647 -13.991 557 HA ALA 75 HA ALA 75 -1.868 -2.779 -14.309 558 1HB ALA 75 1HB ALA 75 -1.251 -4.646 -12.888 559 2HB ALA 75 2HB ALA 75 -2.826 -5.392 -13.154 560 3HB ALA 75 3HB ALA 75 -2.709 -3.862 -12.285 561 H GLY 76 H GLY 76 -3.168 -5.990 -15.198 562 1HA GLY 76 1HA GLY 76 -0.631 -6.428 -16.609 563 2HA GLY 76 2HA GLY 76 -1.750 -7.688 -16.120 564 H HIS 77 H HIS 77 -1.929 -4.719 -18.072 565 HA HIS 77 HA HIS 77 -3.509 -6.101 -20.078 566 1HB HIS 77 1HB HIS 77 -3.724 -3.945 -21.178 567 2HB HIS 77 2HB HIS 77 -4.058 -3.761 -19.463 568 HD1 HIS 77 HD1 HIS 77 -2.486 -2.260 -18.101 569 HD2 HIS 77 HD2 HIS 77 -1.387 -2.671 -22.096 570 HE1 HIS 77 HE1 HIS 77 -0.720 -0.515 -18.507 571 HE2 HIS 77 HE2 HIS 77 -0.213 -0.658 -20.977 572 H ALA 78 H ALA 78 -0.370 -5.996 -19.341 573 HA ALA 78 HA ALA 78 0.477 -6.382 -22.133 574 1HB ALA 78 1HB ALA 78 2.187 -5.676 -19.744 575 2HB ALA 78 2HB ALA 78 1.673 -4.553 -21.004 576 3HB ALA 78 3HB ALA 78 2.756 -5.890 -21.401 577 H ALA 79 H ALA 79 1.530 -7.416 -18.885 578 HA ALA 79 HA ALA 79 1.722 -10.169 -19.872 579 1HB ALA 79 1HB ALA 79 3.059 -10.625 -17.882 580 2HB ALA 79 2HB ALA 79 2.796 -8.977 -17.311 581 3HB ALA 79 3HB ALA 79 3.729 -9.263 -18.780 582 H THR 80 H THR 80 -0.226 -11.101 -19.706 583 HA THR 80 HA THR 80 -1.912 -10.513 -17.384 584 HB THR 80 HB THR 80 -2.680 -11.986 -19.910 585 HG1 THR 80 HG1 THR 80 -2.850 -9.215 -19.233 586 1HG2 THR 80 1HG2 THR 80 -4.164 -12.369 -17.996 587 2HG2 THR 80 2HG2 THR 80 -4.966 -11.405 -19.235 588 3HG2 THR 80 3HG2 THR 80 -4.342 -10.628 -17.780 Start of MODEL 4 1 H MET 1 H MET 1 6.972 2.496 1.124 2 HA MET 1 HA MET 1 5.787 1.373 -0.566 3 1HB MET 1 1HB MET 1 6.776 2.580 -2.470 4 2HB MET 1 2HB MET 1 8.287 1.709 -2.230 5 1HG MET 1 1HG MET 1 7.030 -0.411 -2.616 6 2HG MET 1 2HG MET 1 5.631 0.568 -3.054 7 1HE MET 1 1HE MET 1 6.839 -1.662 -4.940 8 2HE MET 1 2HE MET 1 6.796 -0.832 -6.496 9 3HE MET 1 3HE MET 1 5.455 -0.656 -5.364 10 H HIS 2 H HIS 2 5.745 -0.437 0.638 11 HA HIS 2 HA HIS 2 7.990 -2.285 0.284 12 1HB HIS 2 1HB HIS 2 6.751 -1.538 2.934 13 2HB HIS 2 2HB HIS 2 7.599 -3.063 2.694 14 HD1 HIS 2 HD1 HIS 2 10.183 -2.851 2.032 15 HD2 HIS 2 HD2 HIS 2 8.373 0.622 3.437 16 HE1 HIS 2 HE1 HIS 2 12.068 -1.308 2.658 17 HE2 HIS 2 HE2 HIS 2 10.958 0.810 3.453 18 H ALA 3 H ALA 3 7.370 -4.505 0.311 19 HA ALA 3 HA ALA 3 4.481 -5.000 0.317 20 1HB ALA 3 1HB ALA 3 6.292 -5.796 -1.958 21 2HB ALA 3 2HB ALA 3 5.121 -4.477 -1.998 22 3HB ALA 3 3HB ALA 3 4.568 -6.142 -1.819 23 H LYS 4 H LYS 4 3.882 -7.195 0.575 24 HA LYS 4 HA LYS 4 6.013 -9.073 1.254 25 1HB LYS 4 1HB LYS 4 3.970 -7.982 3.100 26 2HB LYS 4 2HB LYS 4 4.284 -9.707 3.207 27 1HG LYS 4 1HG LYS 4 6.638 -9.275 3.615 28 2HG LYS 4 2HG LYS 4 6.360 -7.540 3.453 29 1HD LYS 4 1HD LYS 4 5.131 -7.432 5.433 30 2HD LYS 4 2HD LYS 4 4.843 -9.174 5.457 31 1HE LYS 4 1HE LYS 4 7.523 -7.844 5.849 32 2HE LYS 4 2HE LYS 4 6.493 -8.447 7.146 33 1HZ LYS 4 1HZ LYS 4 7.809 -10.042 5.015 34 2HZ LYS 4 2HZ LYS 4 6.649 -10.673 6.078 35 3HZ LYS 4 3HZ LYS 4 8.121 -10.096 6.684 36 H VAL 5 H VAL 5 4.999 -11.278 1.764 37 HA VAL 5 HA VAL 5 3.163 -11.915 -0.418 38 HB VAL 5 HB VAL 5 5.182 -13.249 -0.314 39 1HG1 VAL 5 1HG1 VAL 5 4.385 -13.968 2.503 40 2HG1 VAL 5 2HG1 VAL 5 5.732 -12.931 2.033 41 3HG1 VAL 5 3HG1 VAL 5 5.750 -14.645 1.615 42 1HG2 VAL 5 1HG2 VAL 5 3.164 -14.438 -1.002 43 2HG2 VAL 5 2HG2 VAL 5 2.849 -14.889 0.673 44 3HG2 VAL 5 3HG2 VAL 5 4.274 -15.515 -0.155 45 H GLY 6 H GLY 6 1.218 -13.073 -0.090 46 1HA GLY 6 1HA GLY 6 -0.629 -13.842 1.150 47 2HA GLY 6 2HA GLY 6 0.231 -13.440 2.636 48 H ASP 7 H ASP 7 0.281 -11.180 0.165 49 HA ASP 7 HA ASP 7 -1.866 -9.428 1.329 50 1HB ASP 7 1HB ASP 7 1.088 -8.747 1.014 51 2HB ASP 7 2HB ASP 7 -0.178 -7.537 1.187 52 H TYR 8 H TYR 8 -1.576 -7.352 -0.105 53 HA TYR 8 HA TYR 8 -1.739 -8.308 -2.894 54 1HB TYR 8 1HB TYR 8 -3.857 -6.807 -1.320 55 2HB TYR 8 2HB TYR 8 -3.910 -7.050 -3.053 56 HD1 TYR 8 HD1 TYR 8 -4.726 -9.082 -3.984 57 HD2 TYR 8 HD2 TYR 8 -4.229 -8.738 0.228 58 HE1 TYR 8 HE1 TYR 8 -6.106 -11.097 -3.671 59 HE2 TYR 8 HE2 TYR 8 -5.600 -10.763 0.544 60 HH TYR 8 HH TYR 8 -6.241 -12.927 -1.774 61 H LEU 9 H LEU 9 -2.371 -6.305 -4.269 62 HA LEU 9 HA LEU 9 -0.727 -4.025 -3.417 63 1HB LEU 9 1HB LEU 9 0.756 -5.612 -4.540 64 2HB LEU 9 2HB LEU 9 -0.329 -5.703 -5.906 65 HG LEU 9 HG LEU 9 0.956 -3.081 -5.191 66 1HD1 LEU 9 1HD1 LEU 9 2.777 -4.701 -5.296 67 2HD1 LEU 9 2HD1 LEU 9 2.800 -3.639 -6.704 68 3HD1 LEU 9 3HD1 LEU 9 2.180 -5.284 -6.852 69 1HD2 LEU 9 1HD2 LEU 9 0.068 -4.314 -7.806 70 2HD2 LEU 9 2HD2 LEU 9 0.741 -2.697 -7.600 71 3HD2 LEU 9 3HD2 LEU 9 -0.821 -3.099 -6.886 72 H VAL 10 H VAL 10 -1.227 -2.130 -4.347 73 HA VAL 10 HA VAL 10 -3.325 -1.977 -6.388 74 HB VAL 10 HB VAL 10 -3.457 -0.810 -3.612 75 1HG1 VAL 10 1HG1 VAL 10 -5.204 0.744 -4.318 76 2HG1 VAL 10 2HG1 VAL 10 -4.919 0.301 -6.001 77 3HG1 VAL 10 3HG1 VAL 10 -3.661 1.126 -5.081 78 1HG2 VAL 10 1HG2 VAL 10 -5.782 -1.525 -3.745 79 2HG2 VAL 10 2HG2 VAL 10 -4.674 -2.861 -4.064 80 3HG2 VAL 10 3HG2 VAL 10 -5.518 -2.076 -5.398 81 H VAL 11 H VAL 11 -3.319 0.056 -7.521 82 HA VAL 11 HA VAL 11 -1.117 1.895 -6.921 83 HB VAL 11 HB VAL 11 -1.697 0.793 -9.682 84 1HG1 VAL 11 1HG1 VAL 11 0.206 2.167 -10.409 85 2HG1 VAL 11 2HG1 VAL 11 0.307 2.862 -8.791 86 3HG1 VAL 11 3HG1 VAL 11 -1.122 3.146 -9.784 87 1HG2 VAL 11 1HG2 VAL 11 0.575 -0.110 -9.587 88 2HG2 VAL 11 2HG2 VAL 11 -0.438 -0.777 -8.307 89 3HG2 VAL 11 3HG2 VAL 11 0.742 0.479 -7.932 90 H LYS 12 H LYS 12 -1.659 3.990 -7.177 91 HA LYS 12 HA LYS 12 -4.443 4.563 -7.797 92 1HB LYS 12 1HB LYS 12 -2.254 6.336 -6.704 93 2HB LYS 12 2HB LYS 12 -3.928 6.823 -6.926 94 1HG LYS 12 1HG LYS 12 -4.636 5.167 -5.284 95 2HG LYS 12 2HG LYS 12 -2.957 4.658 -5.073 96 1HD LYS 12 1HD LYS 12 -2.365 6.908 -4.326 97 2HD LYS 12 2HD LYS 12 -4.036 7.425 -4.543 98 1HE LYS 12 1HE LYS 12 -4.752 5.832 -2.835 99 2HE LYS 12 2HE LYS 12 -3.081 5.303 -2.624 100 1HZ LYS 12 1HZ LYS 12 -2.510 7.571 -1.952 101 2HZ LYS 12 2HZ LYS 12 -3.684 6.901 -0.926 102 3HZ LYS 12 3HZ LYS 12 -4.134 8.036 -2.102 103 H GLY 13 H GLY 13 -5.125 5.843 -9.461 104 1HA GLY 13 1HA GLY 13 -3.160 6.596 -11.484 105 2HA GLY 13 2HA GLY 13 -4.914 6.681 -11.647 106 H THR 14 H THR 14 -2.319 8.596 -11.600 107 HA THR 14 HA THR 14 -2.785 10.467 -9.567 108 HB THR 14 HB THR 14 -1.426 12.019 -11.088 109 HG1 THR 14 HG1 THR 14 -0.700 11.220 -12.959 110 1HG2 THR 14 1HG2 THR 14 -0.428 10.732 -9.270 111 2HG2 THR 14 2HG2 THR 14 0.648 10.765 -10.667 112 3HG2 THR 14 3HG2 THR 14 -0.302 9.320 -10.320 113 H THR 15 H THR 15 -4.425 10.007 -12.552 114 HA THR 15 HA THR 15 -5.711 12.635 -12.295 115 HB THR 15 HB THR 15 -6.457 12.107 -14.707 116 HG1 THR 15 HG1 THR 15 -5.183 10.596 -15.784 117 1HG2 THR 15 1HG2 THR 15 -3.542 12.616 -14.086 118 2HG2 THR 15 2HG2 THR 15 -4.817 13.832 -14.154 119 3HG2 THR 15 3HG2 THR 15 -4.340 12.971 -15.618 120 H THR 16 H THR 16 -6.210 9.504 -11.487 121 HA THR 16 HA THR 16 -9.126 9.749 -11.754 122 HB THR 16 HB THR 16 -9.222 7.258 -12.135 123 HG1 THR 16 HG1 THR 16 -6.872 7.084 -11.480 124 1HG2 THR 16 1HG2 THR 16 -7.831 8.895 -14.257 125 2HG2 THR 16 2HG2 THR 16 -9.571 8.815 -13.979 126 3HG2 THR 16 3HG2 THR 16 -8.700 7.384 -14.531 127 H GLU 17 H GLU 17 -9.887 9.860 -9.724 128 HA GLU 17 HA GLU 17 -8.367 8.843 -7.516 129 1HB GLU 17 1HB GLU 17 -11.109 10.092 -7.638 130 2HB GLU 17 2HB GLU 17 -10.328 9.597 -6.141 131 1HG GLU 17 1HG GLU 17 -8.438 11.119 -6.719 132 2HG GLU 17 2HG GLU 17 -9.399 11.699 -8.077 133 H ARG 18 H ARG 18 -8.293 6.691 -8.324 134 HA ARG 18 HA ARG 18 -10.368 5.036 -7.112 135 1HB ARG 18 1HB ARG 18 -10.391 5.407 -9.830 136 2HB ARG 18 2HB ARG 18 -9.314 4.027 -9.685 137 1HG ARG 18 1HG ARG 18 -11.307 2.956 -9.913 138 2HG ARG 18 2HG ARG 18 -11.241 3.102 -8.154 139 1HD ARG 18 1HD ARG 18 -13.428 3.761 -8.866 140 2HD ARG 18 2HD ARG 18 -12.563 5.213 -8.358 141 HE ARG 18 HE ARG 18 -12.931 4.422 -11.183 142 1HH1 ARG 18 1HH1 ARG 18 -12.703 6.887 -8.690 143 2HH1 ARG 18 2HH1 ARG 18 -12.987 8.198 -9.794 144 1HH2 ARG 18 1HH2 ARG 18 -13.282 6.140 -12.615 145 2HH2 ARG 18 2HH2 ARG 18 -13.276 7.782 -12.025 146 H HIS 19 H HIS 19 -9.471 2.985 -6.427 147 HA HIS 19 HA HIS 19 -6.554 2.930 -6.674 148 1HB HIS 19 1HB HIS 19 -6.501 1.373 -4.776 149 2HB HIS 19 2HB HIS 19 -7.275 2.889 -4.361 150 HD1 HIS 19 HD1 HIS 19 -9.735 2.789 -3.599 151 HD2 HIS 19 HD2 HIS 19 -8.152 -0.892 -4.713 152 HE1 HIS 19 HE1 HIS 19 -11.351 1.063 -2.743 153 HE2 HIS 19 HE2 HIS 19 -10.494 -1.128 -3.651 154 H ASP 20 H ASP 20 -6.187 2.101 -8.578 155 HA ASP 20 HA ASP 20 -7.635 -0.268 -9.488 156 1HB ASP 20 1HB ASP 20 -5.792 1.684 -10.874 157 2HB ASP 20 2HB ASP 20 -6.343 0.201 -11.640 158 H GLN 21 H GLN 21 -5.993 -1.562 -11.047 159 HA GLN 21 HA GLN 21 -4.313 -3.070 -11.203 160 1HB GLN 21 1HB GLN 21 -2.797 -0.786 -9.922 161 2HB GLN 21 2HB GLN 21 -2.036 -2.199 -10.646 162 1HG GLN 21 1HG GLN 21 -3.008 -1.638 -12.801 163 2HG GLN 21 2HG GLN 21 -3.817 -0.245 -12.091 164 1HE2 GLN 21 1HE2 GLN 21 -0.756 -1.604 -13.065 165 2HE2 GLN 21 2HE2 GLN 21 0.112 -0.111 -13.094 166 H HIS 22 H HIS 22 -5.004 -4.741 -9.862 167 HA HIS 22 HA HIS 22 -3.866 -4.732 -7.176 168 1HB HIS 22 1HB HIS 22 -6.176 -3.874 -7.016 169 2HB HIS 22 2HB HIS 22 -6.756 -5.388 -7.704 170 HD1 HIS 22 HD1 HIS 22 -6.051 -3.810 -4.565 171 HD2 HIS 22 HD2 HIS 22 -5.959 -7.692 -6.011 172 HE1 HIS 22 HE1 HIS 22 -5.962 -5.276 -2.537 173 HE2 HIS 22 HE2 HIS 22 -5.769 -7.614 -3.447 174 H ALA 23 H ALA 23 -2.983 -6.459 -6.636 175 HA ALA 23 HA ALA 23 -3.754 -9.121 -7.714 176 1HB ALA 23 1HB ALA 23 -1.424 -9.632 -8.190 177 2HB ALA 23 2HB ALA 23 -0.938 -8.001 -7.729 178 3HB ALA 23 3HB ALA 23 -1.949 -8.252 -9.153 179 H GLU 24 H GLU 24 -2.184 -10.721 -6.569 180 HA GLU 24 HA GLU 24 -1.764 -9.907 -3.769 181 1HB GLU 24 1HB GLU 24 -3.893 -11.175 -3.877 182 2HB GLU 24 2HB GLU 24 -3.040 -12.512 -4.641 183 1HG GLU 24 1HG GLU 24 -1.534 -12.397 -2.514 184 2HG GLU 24 2HG GLU 24 -2.909 -11.542 -1.823 185 H ILE 25 H ILE 25 0.081 -10.466 -3.059 186 HA ILE 25 HA ILE 25 1.886 -11.667 -4.975 187 HB ILE 25 HB ILE 25 2.911 -10.603 -2.401 188 1HG1 ILE 25 1HG1 ILE 25 1.760 -8.793 -4.544 189 2HG1 ILE 25 2HG1 ILE 25 1.080 -9.021 -2.936 190 1HG2 ILE 25 1HG2 ILE 25 4.591 -9.638 -3.905 191 2HG2 ILE 25 2HG2 ILE 25 3.676 -10.230 -5.293 192 3HG2 ILE 25 3HG2 ILE 25 4.399 -11.373 -4.161 193 1HD1 ILE 25 1HD1 ILE 25 3.771 -7.832 -3.568 194 2HD1 ILE 25 2HD1 ILE 25 3.104 -8.074 -1.953 195 3HD1 ILE 25 3HD1 ILE 25 2.327 -6.950 -3.069 196 H ILE 26 H ILE 26 2.148 -13.741 -4.872 197 HA ILE 26 HA ILE 26 2.399 -15.048 -2.258 198 HB ILE 26 HB ILE 26 2.254 -17.163 -3.881 199 1HG1 ILE 26 1HG1 ILE 26 0.329 -16.636 -5.507 200 2HG1 ILE 26 2HG1 ILE 26 0.803 -14.953 -5.335 201 1HG2 ILE 26 1HG2 ILE 26 -0.127 -17.296 -3.325 202 2HG2 ILE 26 2HG2 ILE 26 -0.104 -15.592 -2.869 203 3HG2 ILE 26 3HG2 ILE 26 0.849 -16.762 -1.955 204 1HD1 ILE 26 1HD1 ILE 26 2.566 -17.165 -6.355 205 2HD1 ILE 26 2HD1 ILE 26 2.996 -15.457 -6.234 206 3HD1 ILE 26 3HD1 ILE 26 1.725 -15.974 -7.344 207 H GLU 27 H GLU 27 4.114 -13.859 -4.849 208 HA GLU 27 HA GLU 27 6.518 -15.166 -3.819 209 1HB GLU 27 1HB GLU 27 5.578 -16.073 -6.126 210 2HB GLU 27 2HB GLU 27 6.330 -14.618 -6.756 211 1HG GLU 27 1HG GLU 27 7.795 -16.672 -5.123 212 2HG GLU 27 2HG GLU 27 7.714 -16.698 -6.880 213 H VAL 28 H VAL 28 8.117 -13.756 -3.468 214 HA VAL 28 HA VAL 28 7.728 -10.957 -4.241 215 HB VAL 28 HB VAL 28 8.200 -11.811 -1.385 216 1HG1 VAL 28 1HG1 VAL 28 7.600 -9.114 -2.594 217 2HG1 VAL 28 2HG1 VAL 28 9.148 -9.646 -1.940 218 3HG1 VAL 28 3HG1 VAL 28 7.760 -9.448 -0.870 219 1HG2 VAL 28 1HG2 VAL 28 5.942 -12.431 -1.994 220 2HG2 VAL 28 2HG2 VAL 28 5.651 -10.816 -2.642 221 3HG2 VAL 28 3HG2 VAL 28 5.920 -11.037 -0.913 222 H ARG 29 H ARG 29 9.665 -10.458 -5.131 223 HA ARG 29 HA ARG 29 11.950 -12.071 -4.778 224 1HB ARG 29 1HB ARG 29 11.624 -9.378 -6.088 225 2HB ARG 29 2HB ARG 29 13.095 -10.345 -6.173 226 1HG ARG 29 1HG ARG 29 10.380 -11.175 -7.182 227 2HG ARG 29 2HG ARG 29 11.736 -10.624 -8.169 228 1HD ARG 29 1HD ARG 29 13.053 -12.521 -7.538 229 2HD ARG 29 2HD ARG 29 11.853 -13.019 -6.347 230 HE ARG 29 HE ARG 29 10.442 -13.755 -8.084 231 1HH1 ARG 29 1HH1 ARG 29 13.529 -12.543 -9.221 232 2HH1 ARG 29 2HH1 ARG 29 13.411 -13.317 -10.775 233 1HH2 ARG 29 1HH2 ARG 29 10.266 -14.751 -10.136 234 2HH2 ARG 29 2HH2 ARG 29 11.528 -14.542 -11.306 235 H SER 30 H SER 30 11.187 -8.831 -3.644 236 HA SER 30 HA SER 30 12.920 -9.220 -1.376 237 1HB SER 30 1HB SER 30 13.479 -7.012 -3.372 238 2HB SER 30 2HB SER 30 14.219 -7.139 -1.777 239 HG SER 30 HG SER 30 14.443 -9.463 -3.161 240 H ALA 31 H ALA 31 12.433 -7.881 0.349 241 HA ALA 31 HA ALA 31 9.760 -6.807 0.265 242 1HB ALA 31 1HB ALA 31 11.745 -6.876 2.535 243 2HB ALA 31 2HB ALA 31 10.555 -8.125 2.173 244 3HB ALA 31 3HB ALA 31 10.024 -6.516 2.666 245 H ASP 32 H ASP 32 12.620 -5.499 -0.650 246 HA ASP 32 HA ASP 32 12.464 -2.911 0.538 247 1HB ASP 32 1HB ASP 32 14.246 -2.297 -0.865 248 2HB ASP 32 2HB ASP 32 14.509 -4.017 -0.603 249 H GLY 33 H GLY 33 11.032 -4.477 -2.207 250 1HA GLY 33 1HA GLY 33 8.806 -3.682 -2.781 251 2HA GLY 33 2HA GLY 33 9.410 -2.045 -2.598 252 H SER 34 H SER 34 11.918 -3.327 -4.111 253 HA SER 34 HA SER 34 11.168 -2.279 -6.641 254 1HB SER 34 1HB SER 34 13.551 -3.988 -5.889 255 2HB SER 34 2HB SER 34 13.357 -3.131 -7.418 256 HG SER 34 HG SER 34 13.700 -2.079 -4.812 257 HA PRO 35 HA PRO 35 9.180 -5.872 -8.413 258 1HB PRO 35 1HB PRO 35 9.789 -4.453 -10.942 259 2HB PRO 35 2HB PRO 35 8.235 -4.993 -10.301 260 1HG PRO 35 1HG PRO 35 8.872 -2.407 -10.337 261 2HG PRO 35 2HG PRO 35 7.970 -3.111 -8.981 262 1HD PRO 35 1HD PRO 35 10.883 -2.421 -9.163 263 2HD PRO 35 2HD PRO 35 9.744 -2.157 -7.823 264 HA PRO 36 HA PRO 36 8.765 -6.803 -10.878 265 1HB PRO 36 1HB PRO 36 8.788 -9.394 -11.551 266 2HB PRO 36 2HB PRO 36 9.576 -8.172 -12.556 267 1HG PRO 36 1HG PRO 36 10.786 -10.036 -10.550 268 2HG PRO 36 2HG PRO 36 11.352 -9.638 -12.182 269 1HD PRO 36 1HD PRO 36 12.379 -8.499 -9.938 270 2HD PRO 36 2HD PRO 36 12.314 -7.662 -11.502 271 H TYR 37 H TYR 37 7.130 -8.679 -10.523 272 HA TYR 37 HA TYR 37 7.367 -9.866 -7.837 273 1HB TYR 37 1HB TYR 37 4.884 -8.522 -8.933 274 2HB TYR 37 2HB TYR 37 4.993 -9.395 -7.414 275 HD1 TYR 37 HD1 TYR 37 5.056 -6.241 -8.923 276 HD2 TYR 37 HD2 TYR 37 6.772 -8.441 -5.718 277 HE1 TYR 37 HE1 TYR 37 5.547 -4.139 -7.755 278 HE2 TYR 37 HE2 TYR 37 7.280 -6.341 -4.541 279 HH TYR 37 HH TYR 37 7.650 -3.846 -5.279 280 H VAL 38 H VAL 38 5.680 -11.588 -7.570 281 HA VAL 38 HA VAL 38 4.802 -12.749 -10.126 282 HB VAL 38 HB VAL 38 6.167 -14.334 -7.926 283 1HG1 VAL 38 1HG1 VAL 38 5.021 -15.220 -10.571 284 2HG1 VAL 38 2HG1 VAL 38 4.371 -15.584 -8.973 285 3HG1 VAL 38 3HG1 VAL 38 5.934 -16.242 -9.460 286 1HG2 VAL 38 1HG2 VAL 38 7.911 -14.802 -9.586 287 2HG2 VAL 38 2HG2 VAL 38 7.795 -13.079 -9.228 288 3HG2 VAL 38 3HG2 VAL 38 7.112 -13.717 -10.723 289 H VAL 39 H VAL 39 2.721 -12.991 -9.960 290 HA VAL 39 HA VAL 39 1.527 -12.651 -7.308 291 HB VAL 39 HB VAL 39 2.445 -10.545 -8.745 292 1HG1 VAL 39 1HG1 VAL 39 0.975 -10.867 -10.620 293 2HG1 VAL 39 2HG1 VAL 39 0.564 -9.374 -9.775 294 3HG1 VAL 39 3HG1 VAL 39 -0.437 -10.810 -9.563 295 1HG2 VAL 39 1HG2 VAL 39 0.062 -10.586 -6.929 296 2HG2 VAL 39 2HG2 VAL 39 0.950 -9.136 -7.399 297 3HG2 VAL 39 3HG2 VAL 39 1.754 -10.404 -6.474 298 H ARG 40 H ARG 40 -0.924 -12.223 -7.710 299 HA ARG 40 HA ARG 40 -1.836 -13.783 -10.022 300 1HB ARG 40 1HB ARG 40 -2.764 -14.228 -7.181 301 2HB ARG 40 2HB ARG 40 -3.400 -15.034 -8.605 302 1HG ARG 40 1HG ARG 40 -1.208 -16.064 -8.984 303 2HG ARG 40 2HG ARG 40 -0.600 -15.280 -7.525 304 1HD ARG 40 1HD ARG 40 -2.904 -17.221 -7.624 305 2HD ARG 40 2HD ARG 40 -1.255 -17.631 -7.161 306 HE ARG 40 HE ARG 40 -2.018 -15.562 -5.493 307 1HH1 ARG 40 1HH1 ARG 40 -3.220 -18.755 -6.240 308 2HH1 ARG 40 2HH1 ARG 40 -3.747 -19.088 -4.616 309 1HH2 ARG 40 1HH2 ARG 40 -2.750 -15.966 -3.330 310 2HH2 ARG 40 2HH2 ARG 40 -3.496 -17.501 -2.972 311 H TRP 41 H TRP 41 -3.493 -12.856 -11.051 312 HA TRP 41 HA TRP 41 -5.219 -10.936 -9.688 313 1HB TRP 41 1HB TRP 41 -5.864 -12.150 -12.367 314 2HB TRP 41 2HB TRP 41 -6.284 -10.560 -11.752 315 HD1 TRP 41 HD1 TRP 41 -4.227 -12.062 -14.259 316 HE1 TRP 41 HE1 TRP 41 -2.327 -10.517 -15.016 317 HE3 TRP 41 HE3 TRP 41 -4.314 -8.713 -10.398 318 HZ2 TRP 41 HZ2 TRP 41 -1.019 -8.203 -14.098 319 HZ3 TRP 41 HZ3 TRP 41 -2.694 -6.863 -10.419 320 HH2 TRP 41 HH2 TRP 41 -1.084 -6.617 -12.231 321 H LEU 42 H LEU 42 -5.561 -12.719 -8.078 322 HA LEU 42 HA LEU 42 -6.151 -15.310 -9.035 323 1HB LEU 42 1HB LEU 42 -6.853 -15.655 -6.527 324 2HB LEU 42 2HB LEU 42 -5.183 -15.529 -7.041 325 HG LEU 42 HG LEU 42 -5.822 -12.922 -6.528 326 1HD1 LEU 42 1HD1 LEU 42 -7.971 -13.525 -5.577 327 2HD1 LEU 42 2HD1 LEU 42 -6.885 -12.919 -4.327 328 3HD1 LEU 42 3HD1 LEU 42 -7.181 -14.651 -4.475 329 1HD2 LEU 42 1HD2 LEU 42 -3.787 -14.099 -5.946 330 2HD2 LEU 42 2HD2 LEU 42 -4.647 -14.992 -4.692 331 3HD2 LEU 42 3HD2 LEU 42 -4.440 -13.247 -4.548 332 H VAL 43 H VAL 43 -8.438 -13.024 -7.435 333 HA VAL 43 HA VAL 43 -10.587 -14.797 -7.624 334 HB VAL 43 HB VAL 43 -11.944 -12.581 -7.608 335 1HG1 VAL 43 1HG1 VAL 43 -11.661 -12.481 -5.179 336 2HG1 VAL 43 2HG1 VAL 43 -10.186 -13.436 -5.324 337 3HG1 VAL 43 3HG1 VAL 43 -11.743 -14.145 -5.751 338 1HG2 VAL 43 1HG2 VAL 43 -9.215 -11.616 -6.820 339 2HG2 VAL 43 2HG2 VAL 43 -10.716 -10.730 -6.561 340 3HG2 VAL 43 3HG2 VAL 43 -10.162 -11.063 -8.202 341 H ASN 44 H ASN 44 -9.290 -12.484 -9.923 342 HA ASN 44 HA ASN 44 -11.281 -12.696 -11.887 343 1HB ASN 44 1HB ASN 44 -8.305 -12.328 -12.296 344 2HB ASN 44 2HB ASN 44 -9.553 -12.010 -13.495 345 1HD2 ASN 44 1HD2 ASN 44 -7.974 -10.886 -10.640 346 2HD2 ASN 44 2HD2 ASN 44 -8.711 -9.322 -10.600 347 H GLY 45 H GLY 45 -8.382 -14.660 -11.296 348 1HA GLY 45 1HA GLY 45 -9.053 -17.099 -11.392 349 2HA GLY 45 2HA GLY 45 -9.588 -16.729 -13.019 350 H HIS 46 H HIS 46 -6.692 -15.038 -12.325 351 HA HIS 46 HA HIS 46 -5.102 -17.270 -13.363 352 1HB HIS 46 1HB HIS 46 -6.071 -15.693 -15.208 353 2HB HIS 46 2HB HIS 46 -4.778 -14.612 -14.694 354 HD1 HIS 46 HD1 HIS 46 -3.737 -18.103 -14.401 355 HD2 HIS 46 HD2 HIS 46 -3.834 -15.214 -17.409 356 HE1 HIS 46 HE1 HIS 46 -2.199 -18.940 -16.207 357 HE2 HIS 46 HE2 HIS 46 -2.401 -17.266 -18.074 358 H GLU 47 H GLU 47 -2.764 -16.434 -13.744 359 HA GLU 47 HA GLU 47 -1.827 -14.930 -11.401 360 1HB GLU 47 1HB GLU 47 -0.546 -17.544 -12.176 361 2HB GLU 47 2HB GLU 47 -0.421 -16.663 -10.661 362 1HG GLU 47 1HG GLU 47 -1.791 -18.296 -9.950 363 2HG GLU 47 2HG GLU 47 -3.027 -17.224 -10.602 364 H THR 48 H THR 48 0.154 -13.921 -11.748 365 HA THR 48 HA THR 48 1.236 -14.046 -14.462 366 HB THR 48 HB THR 48 1.144 -11.493 -14.495 367 HG1 THR 48 HG1 THR 48 -1.118 -11.269 -13.108 368 1HG2 THR 48 1HG2 THR 48 -1.136 -11.461 -15.400 369 2HG2 THR 48 2HG2 THR 48 -1.447 -13.036 -14.673 370 3HG2 THR 48 3HG2 THR 48 -0.249 -12.879 -15.958 371 H THR 49 H THR 49 2.987 -12.262 -14.641 372 HA THR 49 HA THR 49 4.525 -11.879 -12.167 373 HB THR 49 HB THR 49 5.763 -12.722 -14.810 374 HG1 THR 49 HG1 THR 49 4.616 -14.234 -12.910 375 1HG2 THR 49 1HG2 THR 49 7.231 -11.334 -13.449 376 2HG2 THR 49 2HG2 THR 49 7.817 -12.996 -13.488 377 3HG2 THR 49 3HG2 THR 49 6.972 -12.393 -12.063 378 H VAL 50 H VAL 50 4.737 -9.682 -11.996 379 HA VAL 50 HA VAL 50 4.385 -8.135 -14.476 380 HB VAL 50 HB VAL 50 2.485 -6.886 -13.501 381 1HG1 VAL 50 1HG1 VAL 50 2.070 -8.665 -15.100 382 2HG1 VAL 50 2HG1 VAL 50 0.788 -8.606 -13.890 383 3HG1 VAL 50 3HG1 VAL 50 2.034 -9.851 -13.795 384 1HG2 VAL 50 1HG2 VAL 50 2.544 -9.047 -11.395 385 2HG2 VAL 50 2HG2 VAL 50 1.261 -7.854 -11.601 386 3HG2 VAL 50 3HG2 VAL 50 2.884 -7.334 -11.146 387 H TYR 51 H TYR 51 3.959 -5.774 -13.840 388 HA TYR 51 HA TYR 51 5.678 -4.829 -11.667 389 1HB TYR 51 1HB TYR 51 5.800 -3.660 -14.462 390 2HB TYR 51 2HB TYR 51 6.878 -3.329 -13.109 391 HD1 TYR 51 HD1 TYR 51 5.969 -5.807 -15.693 392 HD2 TYR 51 HD2 TYR 51 8.758 -4.750 -12.660 393 HE1 TYR 51 HE1 TYR 51 7.505 -7.551 -16.510 394 HE2 TYR 51 HE2 TYR 51 10.296 -6.488 -13.468 395 HH TYR 51 HH TYR 51 9.877 -8.089 -16.451 396 HA PRO 52 HA PRO 52 1.985 -2.317 -11.448 397 1HB PRO 52 1HB PRO 52 2.512 -1.035 -9.161 398 2HB PRO 52 2HB PRO 52 2.220 -2.778 -9.180 399 1HG PRO 52 1HG PRO 52 4.799 -1.287 -8.981 400 2HG PRO 52 2HG PRO 52 4.294 -2.768 -8.151 401 1HD PRO 52 1HD PRO 52 5.909 -2.656 -10.416 402 2HD PRO 52 2HD PRO 52 5.021 -4.087 -9.855 403 H GLY 53 H GLY 53 1.659 0.166 -10.584 404 1HA GLY 53 1HA GLY 53 3.133 1.736 -12.572 405 2HA GLY 53 2HA GLY 53 1.583 2.162 -11.867 406 H SER 54 H SER 54 1.842 4.031 -10.847 407 HA SER 54 HA SER 54 4.368 4.591 -9.500 408 1HB SER 54 1HB SER 54 2.065 6.450 -10.119 409 2HB SER 54 2HB SER 54 3.652 6.921 -9.514 410 HG SER 54 HG SER 54 4.134 5.504 -11.645 411 H ASP 55 H ASP 55 4.415 5.618 -7.461 412 HA ASP 55 HA ASP 55 3.986 5.813 -5.245 413 1HB ASP 55 1HB ASP 55 1.832 6.834 -5.823 414 2HB ASP 55 2HB ASP 55 1.108 5.239 -6.001 415 H ALA 56 H ALA 56 1.974 3.260 -6.561 416 HA ALA 56 HA ALA 56 1.470 1.146 -5.917 417 1HB ALA 56 1HB ALA 56 4.396 1.047 -5.244 418 2HB ALA 56 2HB ALA 56 3.705 0.857 -6.855 419 3HB ALA 56 3HB ALA 56 3.349 -0.326 -5.597 420 H VAL 57 H VAL 57 0.538 0.125 -4.304 421 HA VAL 57 HA VAL 57 1.503 0.513 -1.567 422 HB VAL 57 HB VAL 57 -0.335 2.163 -2.123 423 1HG1 VAL 57 1HG1 VAL 57 -2.642 1.343 -2.021 424 2HG1 VAL 57 2HG1 VAL 57 -2.025 -0.307 -2.093 425 3HG1 VAL 57 3HG1 VAL 57 -1.775 0.788 -3.453 426 1HG2 VAL 57 1HG2 VAL 57 -0.796 0.288 0.168 427 2HG2 VAL 57 2HG2 VAL 57 -1.475 1.908 0.017 428 3HG2 VAL 57 3HG2 VAL 57 0.270 1.695 0.162 429 H VAL 58 H VAL 58 -0.163 -0.780 -0.176 430 HA VAL 58 HA VAL 58 -0.390 -3.488 -1.300 431 HB VAL 58 HB VAL 58 1.221 -2.739 1.150 432 1HG1 VAL 58 1HG1 VAL 58 1.544 -5.135 1.534 433 2HG1 VAL 58 2HG1 VAL 58 0.425 -5.498 0.220 434 3HG1 VAL 58 3HG1 VAL 58 -0.157 -4.691 1.674 435 1HG2 VAL 58 1HG2 VAL 58 3.025 -3.919 -0.012 436 2HG2 VAL 58 2HG2 VAL 58 2.410 -2.570 -0.967 437 3HG2 VAL 58 3HG2 VAL 58 1.946 -4.223 -1.374 438 H VAL 59 H VAL 59 -1.976 -4.698 -0.436 439 HA VAL 59 HA VAL 59 -3.751 -3.444 1.514 440 HB VAL 59 HB VAL 59 -5.480 -4.299 -0.378 441 1HG1 VAL 59 1HG1 VAL 59 -5.737 -1.919 -0.988 442 2HG1 VAL 59 2HG1 VAL 59 -4.231 -1.570 -0.138 443 3HG1 VAL 59 3HG1 VAL 59 -5.630 -2.171 0.752 444 1HG2 VAL 59 1HG2 VAL 59 -4.717 -3.461 -2.543 445 2HG2 VAL 59 2HG2 VAL 59 -3.723 -4.800 -1.968 446 3HG2 VAL 59 3HG2 VAL 59 -3.127 -3.145 -1.848 447 H THR 60 H THR 60 -5.804 -4.893 1.554 448 HA THR 60 HA THR 60 -4.890 -7.676 2.037 449 HB THR 60 HB THR 60 -6.742 -7.525 3.852 450 HG1 THR 60 HG1 THR 60 -7.727 -5.682 4.071 451 1HG2 THR 60 1HG2 THR 60 -5.252 -6.422 5.448 452 2HG2 THR 60 2HG2 THR 60 -4.292 -5.793 4.108 453 3HG2 THR 60 3HG2 THR 60 -4.368 -7.531 4.401 454 H ALA 61 H ALA 61 -7.434 -8.703 2.716 455 HA ALA 61 HA ALA 61 -8.363 -9.594 0.281 456 1HB ALA 61 1HB ALA 61 -10.127 -10.675 1.513 457 2HB ALA 61 2HB ALA 61 -9.832 -9.629 2.902 458 3HB ALA 61 3HB ALA 61 -8.604 -10.789 2.397 459 H THR 62 H THR 62 -9.866 -7.064 2.353 460 HA THR 62 HA THR 62 -12.254 -6.919 0.874 461 HB THR 62 HB THR 62 -12.081 -4.415 1.665 462 HG1 THR 62 HG1 THR 62 -10.560 -4.032 3.078 463 1HG2 THR 62 1HG2 THR 62 -12.600 -6.753 3.475 464 2HG2 THR 62 2HG2 THR 62 -13.756 -6.004 2.375 465 3HG2 THR 62 3HG2 THR 62 -13.146 -5.100 3.759 466 H GLU 63 H GLU 63 -9.479 -4.722 0.720 467 HA GLU 63 HA GLU 63 -10.333 -3.298 -1.542 468 1HB GLU 63 1HB GLU 63 -7.460 -3.871 -0.813 469 2HB GLU 63 2HB GLU 63 -8.083 -2.482 -1.693 470 1HG GLU 63 1HG GLU 63 -8.584 -3.123 1.204 471 2HG GLU 63 2HG GLU 63 -7.502 -1.879 0.577 472 H HIS 64 H HIS 64 -8.970 -6.394 -1.163 473 HA HIS 64 HA HIS 64 -7.735 -6.776 -3.603 474 1HB HIS 64 1HB HIS 64 -7.140 -8.599 -2.509 475 2HB HIS 64 2HB HIS 64 -8.397 -8.337 -1.315 476 HD1 HIS 64 HD1 HIS 64 -7.832 -10.112 -4.621 477 HD2 HIS 64 HD2 HIS 64 -10.378 -10.203 -1.326 478 HE1 HIS 64 HE1 HIS 64 -9.180 -12.212 -4.844 479 HE2 HIS 64 HE2 HIS 64 -10.615 -12.323 -2.780 480 H ALA 65 H ALA 65 -11.146 -7.226 -2.779 481 HA ALA 65 HA ALA 65 -11.817 -8.835 -4.976 482 1HB ALA 65 1HB ALA 65 -13.180 -8.599 -2.955 483 2HB ALA 65 2HB ALA 65 -14.123 -8.283 -4.412 484 3HB ALA 65 3HB ALA 65 -13.567 -6.942 -3.410 485 H GLU 66 H GLU 66 -12.866 -5.494 -4.532 486 HA GLU 66 HA GLU 66 -13.778 -5.262 -7.177 487 1HB GLU 66 1HB GLU 66 -13.822 -2.732 -6.444 488 2HB GLU 66 2HB GLU 66 -14.943 -3.902 -5.765 489 1HG GLU 66 1HG GLU 66 -14.270 -2.910 -3.833 490 2HG GLU 66 2HG GLU 66 -13.007 -4.137 -3.951 491 H ALA 67 H ALA 67 -10.832 -4.060 -5.609 492 HA ALA 67 HA ALA 67 -9.898 -2.655 -7.868 493 1HB ALA 67 1HB ALA 67 -8.282 -3.809 -5.604 494 2HB ALA 67 2HB ALA 67 -9.080 -2.234 -5.601 495 3HB ALA 67 3HB ALA 67 -7.765 -2.555 -6.731 496 H GLU 68 H GLU 68 -9.722 -6.064 -7.010 497 HA GLU 68 HA GLU 68 -7.568 -6.651 -8.796 498 1HB GLU 68 1HB GLU 68 -8.786 -8.084 -6.833 499 2HB GLU 68 2HB GLU 68 -9.495 -8.821 -8.265 500 1HG GLU 68 1HG GLU 68 -7.484 -9.633 -9.019 501 2HG GLU 68 2HG GLU 68 -6.545 -8.420 -8.149 502 H LYS 69 H LYS 69 -11.105 -6.585 -9.090 503 HA LYS 69 HA LYS 69 -11.276 -7.290 -11.806 504 1HB LYS 69 1HB LYS 69 -12.771 -5.284 -10.151 505 2HB LYS 69 2HB LYS 69 -13.065 -5.383 -11.880 506 1HG LYS 69 1HG LYS 69 -13.582 -7.798 -11.582 507 2HG LYS 69 2HG LYS 69 -13.461 -7.549 -9.839 508 1HD LYS 69 1HD LYS 69 -15.280 -5.999 -9.863 509 2HD LYS 69 2HD LYS 69 -15.307 -5.980 -11.628 510 1HE LYS 69 1HE LYS 69 -17.112 -7.348 -10.771 511 2HE LYS 69 2HE LYS 69 -15.944 -8.346 -11.634 512 1HZ LYS 69 1HZ LYS 69 -16.073 -8.033 -8.681 513 2HZ LYS 69 2HZ LYS 69 -15.016 -9.050 -9.537 514 3HZ LYS 69 3HZ LYS 69 -16.681 -9.352 -9.551 515 H ARG 70 H ARG 70 -10.621 -4.083 -10.413 516 HA ARG 70 HA ARG 70 -10.083 -2.684 -12.782 517 1HB ARG 70 1HB ARG 70 -9.090 -2.330 -9.962 518 2HB ARG 70 2HB ARG 70 -8.527 -1.281 -11.250 519 1HG ARG 70 1HG ARG 70 -10.314 -0.230 -10.010 520 2HG ARG 70 2HG ARG 70 -10.826 -0.554 -11.665 521 1HD ARG 70 1HD ARG 70 -12.341 -2.128 -11.035 522 2HD ARG 70 2HD ARG 70 -11.414 -2.616 -9.619 523 HE ARG 70 HE ARG 70 -12.208 -0.462 -8.605 524 1HH1 ARG 70 1HH1 ARG 70 -14.010 -1.982 -11.196 525 2HH1 ARG 70 2HH1 ARG 70 -15.559 -1.431 -10.618 526 1HH2 ARG 70 1HH2 ARG 70 -14.237 0.255 -7.823 527 2HH2 ARG 70 2HH2 ARG 70 -15.689 -0.192 -8.679 528 H ALA 71 H ALA 71 -8.241 -5.113 -11.235 529 HA ALA 71 HA ALA 71 -5.652 -4.327 -12.164 530 1HB ALA 71 1HB ALA 71 -4.925 -6.475 -11.351 531 2HB ALA 71 2HB ALA 71 -6.602 -6.996 -11.179 532 3HB ALA 71 3HB ALA 71 -5.974 -5.692 -10.170 533 H ALA 72 H ALA 72 -7.711 -7.130 -13.019 534 HA ALA 72 HA ALA 72 -6.072 -7.907 -15.173 535 1HB ALA 72 1HB ALA 72 -7.672 -9.427 -14.126 536 2HB ALA 72 2HB ALA 72 -7.917 -9.334 -15.871 537 3HB ALA 72 3HB ALA 72 -9.005 -8.476 -14.779 538 H ALA 73 H ALA 73 -8.562 -5.503 -14.868 539 HA ALA 73 HA ALA 73 -8.713 -4.942 -17.674 540 1HB ALA 73 1HB ALA 73 -9.348 -3.148 -15.335 541 2HB ALA 73 2HB ALA 73 -10.477 -4.252 -16.123 542 3HB ALA 73 3HB ALA 73 -9.819 -2.878 -17.013 543 H ARG 74 H ARG 74 -7.311 -2.888 -15.091 544 HA ARG 74 HA ARG 74 -5.871 -1.426 -17.124 545 1HB ARG 74 1HB ARG 74 -6.059 -0.963 -14.145 546 2HB ARG 74 2HB ARG 74 -5.321 0.142 -15.301 547 1HG ARG 74 1HG ARG 74 -7.890 -0.422 -16.291 548 2HG ARG 74 2HG ARG 74 -8.077 -0.143 -14.560 549 1HD ARG 74 1HD ARG 74 -6.383 1.741 -16.112 550 2HD ARG 74 2HD ARG 74 -8.130 1.838 -16.320 551 HE ARG 74 HE ARG 74 -7.703 1.816 -13.591 552 1HH1 ARG 74 1HH1 ARG 74 -6.761 3.827 -16.305 553 2HH1 ARG 74 2HH1 ARG 74 -6.732 5.299 -15.381 554 1HH2 ARG 74 1HH2 ARG 74 -7.653 3.743 -12.340 555 2HH2 ARG 74 2HH2 ARG 74 -7.227 5.249 -13.113 556 H ALA 75 H ALA 75 -4.906 -3.183 -14.164 557 HA ALA 75 HA ALA 75 -2.168 -2.562 -14.253 558 1HB ALA 75 1HB ALA 75 -3.270 -3.439 -12.263 559 2HB ALA 75 2HB ALA 75 -1.864 -4.411 -12.695 560 3HB ALA 75 3HB ALA 75 -3.487 -4.999 -13.058 561 H GLY 76 H GLY 76 -3.739 -5.633 -15.220 562 1HA GLY 76 1HA GLY 76 -1.334 -6.148 -16.847 563 2HA GLY 76 2HA GLY 76 -1.951 -7.376 -15.757 564 H HIS 77 H HIS 77 -2.845 -5.372 -18.531 565 HA HIS 77 HA HIS 77 -4.579 -7.560 -19.463 566 1HB HIS 77 1HB HIS 77 -5.474 -5.927 -21.109 567 2HB HIS 77 2HB HIS 77 -5.733 -5.426 -19.445 568 HD1 HIS 77 HD1 HIS 77 -4.960 -3.145 -18.827 569 HD2 HIS 77 HD2 HIS 77 -3.310 -4.443 -22.420 570 HE1 HIS 77 HE1 HIS 77 -3.733 -1.157 -19.772 571 HE2 HIS 77 HE2 HIS 77 -2.737 -1.963 -21.947 572 H ALA 78 H ALA 78 -1.560 -6.136 -19.859 573 HA ALA 78 HA ALA 78 -1.058 -7.810 -22.222 574 1HB ALA 78 1HB ALA 78 -1.317 -5.499 -23.017 575 2HB ALA 78 2HB ALA 78 0.340 -6.067 -23.215 576 3HB ALA 78 3HB ALA 78 -0.064 -4.973 -21.892 577 H ALA 79 H ALA 79 -0.609 -8.047 -19.322 578 HA ALA 79 HA ALA 79 2.334 -8.210 -19.313 579 1HB ALA 79 1HB ALA 79 0.539 -7.546 -16.979 580 2HB ALA 79 2HB ALA 79 1.553 -6.402 -17.857 581 3HB ALA 79 3HB ALA 79 2.295 -7.701 -16.924 582 H THR 80 H THR 80 0.561 -10.262 -20.159 583 HA THR 80 HA THR 80 0.913 -12.228 -17.989 584 HB THR 80 HB THR 80 -1.168 -12.293 -20.189 585 HG1 THR 80 HG1 THR 80 -1.162 -10.884 -17.997 586 1HG2 THR 80 1HG2 THR 80 -0.781 -14.080 -17.780 587 2HG2 THR 80 2HG2 THR 80 -0.458 -14.524 -19.457 588 3HG2 THR 80 3HG2 THR 80 -2.107 -14.176 -18.940 Start of MODEL 5 1 H MET 1 H MET 1 8.075 3.288 0.932 2 HA MET 1 HA MET 1 6.607 1.458 0.547 3 1HB MET 1 1HB MET 1 7.601 2.668 -1.385 4 2HB MET 1 2HB MET 1 8.907 1.496 -1.429 5 1HG MET 1 1HG MET 1 6.041 0.681 -1.744 6 2HG MET 1 2HG MET 1 7.008 1.243 -3.104 7 1HE MET 1 1HE MET 1 5.569 -1.563 -3.098 8 2HE MET 1 2HE MET 1 6.840 -2.601 -3.741 9 3HE MET 1 3HE MET 1 6.582 -0.995 -4.424 10 H HIS 2 H HIS 2 6.195 -0.686 0.730 11 HA HIS 2 HA HIS 2 8.261 -2.670 0.561 12 1HB HIS 2 1HB HIS 2 8.619 -1.734 2.859 13 2HB HIS 2 2HB HIS 2 6.983 -2.229 3.270 14 HD1 HIS 2 HD1 HIS 2 10.446 -3.498 2.924 15 HD2 HIS 2 HD2 HIS 2 6.630 -5.069 3.483 16 HE1 HIS 2 HE1 HIS 2 10.788 -5.863 3.695 17 HE2 HIS 2 HE2 HIS 2 8.482 -6.748 4.177 18 H ALA 3 H ALA 3 7.033 -3.812 -0.835 19 HA ALA 3 HA ALA 3 4.343 -4.630 0.021 20 1HB ALA 3 1HB ALA 3 3.996 -5.297 -2.317 21 2HB ALA 3 2HB ALA 3 5.641 -4.787 -2.701 22 3HB ALA 3 3HB ALA 3 4.446 -3.597 -2.186 23 H LYS 4 H LYS 4 4.136 -6.617 0.868 24 HA LYS 4 HA LYS 4 6.179 -8.617 0.175 25 1HB LYS 4 1HB LYS 4 6.386 -7.475 2.493 26 2HB LYS 4 2HB LYS 4 4.983 -8.440 2.930 27 1HG LYS 4 1HG LYS 4 6.972 -9.570 3.642 28 2HG LYS 4 2HG LYS 4 6.246 -10.479 2.315 29 1HD LYS 4 1HD LYS 4 7.836 -9.173 0.793 30 2HD LYS 4 2HD LYS 4 8.685 -8.723 2.272 31 1HE LYS 4 1HE LYS 4 8.213 -11.506 1.219 32 2HE LYS 4 2HE LYS 4 9.748 -10.647 1.283 33 1HZ LYS 4 1HZ LYS 4 8.144 -11.497 3.638 34 2HZ LYS 4 2HZ LYS 4 9.634 -10.687 3.699 35 3HZ LYS 4 3HZ LYS 4 9.547 -12.259 3.065 36 H VAL 5 H VAL 5 5.502 -10.843 0.723 37 HA VAL 5 HA VAL 5 3.056 -11.478 -0.524 38 HB VAL 5 HB VAL 5 4.905 -12.992 -0.726 39 1HG1 VAL 5 1HG1 VAL 5 4.849 -13.245 2.278 40 2HG1 VAL 5 2HG1 VAL 5 6.099 -12.464 1.308 41 3HG1 VAL 5 3HG1 VAL 5 5.854 -14.206 1.192 42 1HG2 VAL 5 1HG2 VAL 5 2.730 -14.080 -0.715 43 2HG2 VAL 5 2HG2 VAL 5 2.816 -14.266 1.038 44 3HG2 VAL 5 3HG2 VAL 5 3.953 -15.130 0.001 45 H GLY 6 H GLY 6 1.213 -12.502 0.320 46 1HA GLY 6 1HA GLY 6 -0.125 -13.312 2.141 47 2HA GLY 6 2HA GLY 6 0.844 -12.333 3.238 48 H ASP 7 H ASP 7 0.352 -10.594 0.516 49 HA ASP 7 HA ASP 7 -2.240 -9.379 1.370 50 1HB ASP 7 1HB ASP 7 0.424 -7.921 1.287 51 2HB ASP 7 2HB ASP 7 -1.119 -7.090 1.148 52 H TYR 8 H TYR 8 -2.618 -7.493 -0.229 53 HA TYR 8 HA TYR 8 -2.103 -8.619 -2.887 54 1HB TYR 8 1HB TYR 8 -4.307 -6.827 -1.863 55 2HB TYR 8 2HB TYR 8 -4.108 -7.273 -3.552 56 HD1 TYR 8 HD1 TYR 8 -4.998 -8.532 -0.193 57 HD2 TYR 8 HD2 TYR 8 -4.772 -9.435 -4.346 58 HE1 TYR 8 HE1 TYR 8 -6.392 -10.535 0.159 59 HE2 TYR 8 HE2 TYR 8 -6.162 -11.439 -3.995 60 HH TYR 8 HH TYR 8 -6.647 -12.996 -2.029 61 H LEU 9 H LEU 9 -1.685 -7.188 -4.616 62 HA LEU 9 HA LEU 9 -0.130 -4.842 -3.828 63 1HB LEU 9 1HB LEU 9 0.956 -6.612 -5.181 64 2HB LEU 9 2HB LEU 9 -0.242 -6.375 -6.434 65 HG LEU 9 HG LEU 9 1.517 -4.085 -5.614 66 1HD1 LEU 9 1HD1 LEU 9 3.025 -5.966 -6.014 67 2HD1 LEU 9 2HD1 LEU 9 3.141 -4.764 -7.300 68 3HD1 LEU 9 3HD1 LEU 9 2.248 -6.262 -7.569 69 1HD2 LEU 9 1HD2 LEU 9 0.246 -4.888 -8.234 70 2HD2 LEU 9 2HD2 LEU 9 1.189 -3.426 -7.945 71 3HD2 LEU 9 3HD2 LEU 9 -0.359 -3.651 -7.132 72 H VAL 10 H VAL 10 -0.777 -2.894 -4.269 73 HA VAL 10 HA VAL 10 -2.647 -2.369 -6.460 74 HB VAL 10 HB VAL 10 -2.950 -1.488 -3.593 75 1HG1 VAL 10 1HG1 VAL 10 -2.944 0.563 -4.898 76 2HG1 VAL 10 2HG1 VAL 10 -4.571 0.196 -4.323 77 3HG1 VAL 10 3HG1 VAL 10 -4.135 -0.121 -6.002 78 1HG2 VAL 10 1HG2 VAL 10 -4.918 -2.492 -5.644 79 2HG2 VAL 10 2HG2 VAL 10 -5.279 -2.101 -3.962 80 3HG2 VAL 10 3HG2 VAL 10 -4.203 -3.446 -4.343 81 H VAL 11 H VAL 11 -2.252 -0.445 -7.523 82 HA VAL 11 HA VAL 11 0.288 0.851 -6.872 83 HB VAL 11 HB VAL 11 -1.372 0.784 -9.392 84 1HG1 VAL 11 1HG1 VAL 11 0.380 2.110 -10.466 85 2HG1 VAL 11 2HG1 VAL 11 1.182 2.314 -8.909 86 3HG1 VAL 11 3HG1 VAL 11 -0.413 3.018 -9.178 87 1HG2 VAL 11 1HG2 VAL 11 1.391 -0.226 -8.740 88 2HG2 VAL 11 2HG2 VAL 11 0.606 -0.325 -10.317 89 3HG2 VAL 11 3HG2 VAL 11 -0.060 -1.209 -8.944 90 H LYS 12 H LYS 12 0.432 2.837 -6.177 91 HA LYS 12 HA LYS 12 0.147 5.071 -6.009 92 1HB LYS 12 1HB LYS 12 -0.950 4.892 -8.289 93 2HB LYS 12 2HB LYS 12 -2.492 4.854 -7.443 94 1HG LYS 12 1HG LYS 12 -1.906 7.095 -8.274 95 2HG LYS 12 2HG LYS 12 -2.090 7.044 -6.518 96 1HD LYS 12 1HD LYS 12 0.284 7.026 -6.204 97 2HD LYS 12 2HD LYS 12 0.563 6.828 -7.934 98 1HE LYS 12 1HE LYS 12 -0.794 9.223 -6.712 99 2HE LYS 12 2HE LYS 12 0.933 9.145 -7.056 100 1HZ LYS 12 1HZ LYS 12 0.363 8.718 -9.399 101 2HZ LYS 12 2HZ LYS 12 -0.177 10.228 -8.853 102 3HZ LYS 12 3HZ LYS 12 -1.280 8.953 -9.034 103 H GLY 13 H GLY 13 -2.943 3.360 -5.560 104 1HA GLY 13 1HA GLY 13 -4.095 3.174 -3.509 105 2HA GLY 13 2HA GLY 13 -3.049 4.420 -2.837 106 H THR 14 H THR 14 -3.578 6.595 -3.125 107 HA THR 14 HA THR 14 -5.790 7.315 -4.826 108 HB THR 14 HB THR 14 -6.674 8.635 -2.628 109 HG1 THR 14 HG1 THR 14 -6.303 6.037 -1.602 110 1HG2 THR 14 1HG2 THR 14 -8.513 7.018 -2.582 111 2HG2 THR 14 2HG2 THR 14 -7.547 5.894 -3.540 112 3HG2 THR 14 3HG2 THR 14 -8.061 7.433 -4.234 113 H THR 15 H THR 15 -5.200 9.069 -5.814 114 HA THR 15 HA THR 15 -4.317 11.375 -4.300 115 HB THR 15 HB THR 15 -2.667 10.441 -6.669 116 HG1 THR 15 HG1 THR 15 -2.521 9.790 -4.026 117 1HG2 THR 15 1HG2 THR 15 -2.262 12.708 -4.711 118 2HG2 THR 15 2HG2 THR 15 -2.762 12.874 -6.393 119 3HG2 THR 15 3HG2 THR 15 -1.155 12.258 -6.007 120 H THR 16 H THR 16 -4.005 10.727 -7.751 121 HA THR 16 HA THR 16 -6.388 12.382 -8.253 122 HB THR 16 HB THR 16 -4.087 11.760 -10.131 123 HG1 THR 16 HG1 THR 16 -4.696 14.306 -9.045 124 1HG2 THR 16 1HG2 THR 16 -6.407 13.676 -10.426 125 2HG2 THR 16 2HG2 THR 16 -6.210 12.156 -11.299 126 3HG2 THR 16 3HG2 THR 16 -5.076 13.479 -11.566 127 H GLU 17 H GLU 17 -4.684 9.416 -8.914 128 HA GLU 17 HA GLU 17 -6.911 8.313 -10.429 129 1HB GLU 17 1HB GLU 17 -4.395 6.868 -9.602 130 2HB GLU 17 2HB GLU 17 -5.468 6.494 -10.942 131 1HG GLU 17 1HG GLU 17 -3.779 7.451 -12.099 132 2HG GLU 17 2HG GLU 17 -4.710 8.901 -11.739 133 H ARG 18 H ARG 18 -7.685 6.116 -9.788 134 HA ARG 18 HA ARG 18 -8.169 5.929 -6.942 135 1HB ARG 18 1HB ARG 18 -9.516 3.929 -7.551 136 2HB ARG 18 2HB ARG 18 -10.013 5.381 -8.405 137 1HG ARG 18 1HG ARG 18 -9.293 4.605 -10.436 138 2HG ARG 18 2HG ARG 18 -8.071 3.551 -9.721 139 1HD ARG 18 1HD ARG 18 -11.019 3.056 -9.379 140 2HD ARG 18 2HD ARG 18 -10.111 2.421 -10.752 141 HE ARG 18 HE ARG 18 -8.626 1.421 -8.911 142 1HH1 ARG 18 1HH1 ARG 18 -12.117 1.772 -8.676 143 2HH1 ARG 18 2HH1 ARG 18 -12.277 0.468 -7.534 144 1HH2 ARG 18 1HH2 ARG 18 -8.870 -0.303 -7.471 145 2HH2 ARG 18 2HH2 ARG 18 -10.452 -0.723 -6.858 146 H HIS 19 H HIS 19 -7.970 3.533 -6.023 147 HA HIS 19 HA HIS 19 -5.207 2.823 -6.331 148 1HB HIS 19 1HB HIS 19 -5.783 0.888 -4.766 149 2HB HIS 19 2HB HIS 19 -5.917 2.514 -4.127 150 HD1 HIS 19 HD1 HIS 19 -8.079 -0.376 -5.255 151 HD2 HIS 19 HD2 HIS 19 -8.358 3.147 -3.075 152 HE1 HIS 19 HE1 HIS 19 -10.303 -0.476 -4.095 153 HE2 HIS 19 HE2 HIS 19 -10.376 1.581 -2.651 154 H ASP 20 H ASP 20 -4.562 1.936 -8.119 155 HA ASP 20 HA ASP 20 -6.400 0.087 -9.521 156 1HB ASP 20 1HB ASP 20 -6.486 2.280 -10.559 157 2HB ASP 20 2HB ASP 20 -4.731 2.352 -10.640 158 H GLN 21 H GLN 21 -5.199 -1.190 -11.284 159 HA GLN 21 HA GLN 21 -3.713 -2.850 -11.733 160 1HB GLN 21 1HB GLN 21 -1.791 -0.880 -10.494 161 2HB GLN 21 2HB GLN 21 -1.287 -2.380 -11.261 162 1HG GLN 21 1HG GLN 21 -1.540 -1.557 -13.322 163 2HG GLN 21 2HG GLN 21 -3.042 -0.730 -12.913 164 1HE2 GLN 21 1HE2 GLN 21 -2.999 1.379 -12.268 165 2HE2 GLN 21 2HE2 GLN 21 -1.574 2.359 -12.346 166 H HIS 22 H HIS 22 -4.205 -4.655 -10.577 167 HA HIS 22 HA HIS 22 -3.230 -4.852 -7.846 168 1HB HIS 22 1HB HIS 22 -5.257 -3.705 -7.437 169 2HB HIS 22 2HB HIS 22 -6.147 -4.709 -8.574 170 HD1 HIS 22 HD1 HIS 22 -4.795 -4.694 -5.090 171 HD2 HIS 22 HD2 HIS 22 -6.990 -7.157 -7.593 172 HE1 HIS 22 HE1 HIS 22 -5.711 -6.511 -3.621 173 HE2 HIS 22 HE2 HIS 22 -6.781 -8.134 -5.231 174 H ALA 23 H ALA 23 -3.198 -6.848 -6.940 175 HA ALA 23 HA ALA 23 -4.528 -9.239 -7.725 176 1HB ALA 23 1HB ALA 23 -3.149 -9.108 -9.764 177 2HB ALA 23 2HB ALA 23 -2.740 -10.501 -8.763 178 3HB ALA 23 3HB ALA 23 -1.696 -9.080 -8.763 179 H GLU 24 H GLU 24 -3.153 -11.152 -6.738 180 HA GLU 24 HA GLU 24 -2.451 -10.110 -4.076 181 1HB GLU 24 1HB GLU 24 -4.137 -11.912 -4.173 182 2HB GLU 24 2HB GLU 24 -2.926 -12.987 -4.867 183 1HG GLU 24 1HG GLU 24 -1.554 -12.716 -2.839 184 2HG GLU 24 2HG GLU 24 -2.811 -11.700 -2.143 185 H ILE 25 H ILE 25 -0.517 -10.148 -3.211 186 HA ILE 25 HA ILE 25 1.724 -11.049 -4.816 187 HB ILE 25 HB ILE 25 1.771 -9.712 -2.106 188 1HG1 ILE 25 1HG1 ILE 25 2.039 -8.456 -4.847 189 2HG1 ILE 25 2HG1 ILE 25 0.635 -8.303 -3.794 190 1HG2 ILE 25 1HG2 ILE 25 4.073 -9.137 -2.714 191 2HG2 ILE 25 2HG2 ILE 25 3.896 -10.039 -4.220 192 3HG2 ILE 25 3HG2 ILE 25 3.822 -10.882 -2.673 193 1HD1 ILE 25 1HD1 ILE 25 2.017 -6.327 -3.670 194 2HD1 ILE 25 2HD1 ILE 25 3.413 -7.304 -3.213 195 3HD1 ILE 25 3HD1 ILE 25 2.031 -7.176 -2.125 196 H ILE 26 H ILE 26 2.216 -13.108 -4.689 197 HA ILE 26 HA ILE 26 2.401 -14.340 -2.031 198 HB ILE 26 HB ILE 26 2.271 -16.535 -3.500 199 1HG1 ILE 26 1HG1 ILE 26 0.401 -16.155 -5.213 200 2HG1 ILE 26 2HG1 ILE 26 0.829 -14.451 -5.144 201 1HG2 ILE 26 1HG2 ILE 26 -0.099 -14.891 -2.630 202 2HG2 ILE 26 2HG2 ILE 26 0.831 -16.014 -1.638 203 3HG2 ILE 26 3HG2 ILE 26 -0.134 -16.618 -2.984 204 1HD1 ILE 26 1HD1 ILE 26 1.851 -15.533 -7.049 205 2HD1 ILE 26 2HD1 ILE 26 2.638 -16.703 -5.990 206 3HD1 ILE 26 3HD1 ILE 26 3.086 -15.000 -5.907 207 H GLU 27 H GLU 27 4.076 -13.471 -4.880 208 HA GLU 27 HA GLU 27 6.478 -14.710 -3.738 209 1HB GLU 27 1HB GLU 27 5.640 -14.647 -6.624 210 2HB GLU 27 2HB GLU 27 7.330 -14.806 -6.164 211 1HG GLU 27 1HG GLU 27 6.787 -16.832 -4.902 212 2HG GLU 27 2HG GLU 27 5.101 -16.680 -5.399 213 H VAL 28 H VAL 28 7.569 -13.091 -2.906 214 HA VAL 28 HA VAL 28 7.650 -10.531 -4.309 215 HB VAL 28 HB VAL 28 8.652 -11.226 -1.543 216 1HG1 VAL 28 1HG1 VAL 28 9.884 -9.366 -2.538 217 2HG1 VAL 28 2HG1 VAL 28 8.846 -8.808 -1.227 218 3HG1 VAL 28 3HG1 VAL 28 8.366 -8.547 -2.903 219 1HG2 VAL 28 1HG2 VAL 28 6.712 -9.958 -0.758 220 2HG2 VAL 28 2HG2 VAL 28 6.228 -11.362 -1.710 221 3HG2 VAL 28 3HG2 VAL 28 6.176 -9.752 -2.425 222 H ARG 29 H ARG 29 9.340 -10.263 -5.681 223 HA ARG 29 HA ARG 29 11.686 -11.967 -5.330 224 1HB ARG 29 1HB ARG 29 10.706 -10.340 -7.676 225 2HB ARG 29 2HB ARG 29 12.242 -11.199 -7.665 226 1HG ARG 29 1HG ARG 29 9.512 -12.437 -7.352 227 2HG ARG 29 2HG ARG 29 10.540 -12.513 -8.787 228 1HD ARG 29 1HD ARG 29 12.159 -13.836 -7.668 229 2HD ARG 29 2HD ARG 29 11.431 -13.522 -6.095 230 HE ARG 29 HE ARG 29 9.563 -14.829 -7.750 231 1HH1 ARG 29 1HH1 ARG 29 12.547 -15.452 -6.025 232 2HH1 ARG 29 2HH1 ARG 29 12.198 -17.134 -5.773 233 1HH2 ARG 29 1HH2 ARG 29 9.087 -17.036 -7.402 234 2HH2 ARG 29 2HH2 ARG 29 10.248 -18.030 -6.570 235 H SER 30 H SER 30 11.401 -9.855 -3.541 236 HA SER 30 HA SER 30 13.940 -8.531 -3.975 237 1HB SER 30 1HB SER 30 11.394 -6.961 -3.479 238 2HB SER 30 2HB SER 30 13.025 -6.291 -3.416 239 HG SER 30 HG SER 30 12.578 -7.651 -5.724 240 H ALA 31 H ALA 31 14.900 -7.829 -2.011 241 HA ALA 31 HA ALA 31 14.101 -9.313 0.286 242 1HB ALA 31 1HB ALA 31 16.447 -8.826 -0.199 243 2HB ALA 31 2HB ALA 31 15.985 -8.227 1.394 244 3HB ALA 31 3HB ALA 31 16.142 -7.106 0.042 245 H ASP 32 H ASP 32 13.682 -6.008 -0.780 246 HA ASP 32 HA ASP 32 12.184 -5.458 1.697 247 1HB ASP 32 1HB ASP 32 14.123 -3.991 1.457 248 2HB ASP 32 2HB ASP 32 13.582 -3.513 -0.149 249 H GLY 33 H GLY 33 12.273 -4.224 -1.660 250 1HA GLY 33 1HA GLY 33 9.727 -5.064 -2.402 251 2HA GLY 33 2HA GLY 33 9.529 -3.504 -1.617 252 H SER 34 H SER 34 10.389 -5.142 -4.467 253 HA SER 34 HA SER 34 10.503 -2.638 -5.905 254 1HB SER 34 1HB SER 34 12.872 -3.035 -5.281 255 2HB SER 34 2HB SER 34 12.798 -4.620 -6.046 256 HG SER 34 HG SER 34 12.459 -3.602 -8.031 257 HA PRO 35 HA PRO 35 8.431 -5.264 -8.898 258 1HB PRO 35 1HB PRO 35 9.392 -3.373 -10.943 259 2HB PRO 35 2HB PRO 35 7.737 -3.776 -10.482 260 1HG PRO 35 1HG PRO 35 8.830 -1.399 -9.880 261 2HG PRO 35 2HG PRO 35 7.680 -2.204 -8.797 262 1HD PRO 35 1HD PRO 35 10.665 -2.049 -8.614 263 2HD PRO 35 2HD PRO 35 9.448 -1.913 -7.326 264 HA PRO 36 HA PRO 36 7.894 -6.090 -10.787 265 1HB PRO 36 1HB PRO 36 7.818 -8.427 -12.064 266 2HB PRO 36 2HB PRO 36 8.424 -6.972 -12.865 267 1HG PRO 36 1HG PRO 36 9.935 -9.266 -11.699 268 2HG PRO 36 2HG PRO 36 10.273 -8.326 -13.162 269 1HD PRO 36 1HD PRO 36 11.479 -7.962 -10.664 270 2HD PRO 36 2HD PRO 36 11.501 -6.803 -12.007 271 H TYR 37 H TYR 37 6.292 -7.960 -10.398 272 HA TYR 37 HA TYR 37 7.114 -9.534 -8.041 273 1HB TYR 37 1HB TYR 37 4.537 -8.015 -8.458 274 2HB TYR 37 2HB TYR 37 4.775 -9.204 -7.184 275 HD1 TYR 37 HD1 TYR 37 6.231 -8.727 -5.291 276 HD2 TYR 37 HD2 TYR 37 5.583 -5.832 -8.342 277 HE1 TYR 37 HE1 TYR 37 7.164 -6.985 -3.830 278 HE2 TYR 37 HE2 TYR 37 6.516 -4.085 -6.888 279 HH TYR 37 HH TYR 37 8.198 -4.798 -4.020 280 H VAL 38 H VAL 38 6.258 -11.601 -7.893 281 HA VAL 38 HA VAL 38 4.821 -12.527 -10.278 282 HB VAL 38 HB VAL 38 6.067 -14.186 -8.070 283 1HG1 VAL 38 1HG1 VAL 38 4.886 -14.995 -10.731 284 2HG1 VAL 38 2HG1 VAL 38 4.165 -15.280 -9.148 285 3HG1 VAL 38 3HG1 VAL 38 5.676 -16.076 -9.582 286 1HG2 VAL 38 1HG2 VAL 38 7.770 -14.762 -9.746 287 2HG2 VAL 38 2HG2 VAL 38 7.769 -13.037 -9.378 288 3HG2 VAL 38 3HG2 VAL 38 7.036 -13.621 -10.874 289 H VAL 39 H VAL 39 2.719 -12.624 -10.133 290 HA VAL 39 HA VAL 39 1.571 -12.336 -7.448 291 HB VAL 39 HB VAL 39 2.113 -10.279 -9.129 292 1HG1 VAL 39 1HG1 VAL 39 0.574 -10.981 -10.836 293 2HG1 VAL 39 2HG1 VAL 39 0.038 -9.466 -10.110 294 3HG1 VAL 39 3HG1 VAL 39 -0.755 -10.981 -9.677 295 1HG2 VAL 39 1HG2 VAL 39 -0.153 -10.414 -7.163 296 2HG2 VAL 39 2HG2 VAL 39 0.580 -8.935 -7.787 297 3HG2 VAL 39 3HG2 VAL 39 1.535 -10.051 -6.810 298 H ARG 40 H ARG 40 -0.559 -13.070 -7.207 299 HA ARG 40 HA ARG 40 -1.511 -14.695 -9.465 300 1HB ARG 40 1HB ARG 40 -1.952 -14.999 -6.501 301 2HB ARG 40 2HB ARG 40 -2.897 -15.874 -7.697 302 1HG ARG 40 1HG ARG 40 -0.752 -16.799 -8.589 303 2HG ARG 40 2HG ARG 40 0.061 -16.067 -7.204 304 1HD ARG 40 1HD ARG 40 -0.397 -18.363 -6.688 305 2HD ARG 40 2HD ARG 40 -1.456 -17.348 -5.711 306 HE ARG 40 HE ARG 40 -2.610 -18.273 -8.201 307 1HH1 ARG 40 1HH1 ARG 40 -2.225 -18.830 -4.775 308 2HH1 ARG 40 2HH1 ARG 40 -3.530 -19.976 -4.676 309 1HH2 ARG 40 1HH2 ARG 40 -4.343 -19.739 -8.084 310 2HH2 ARG 40 2HH2 ARG 40 -4.772 -20.459 -6.562 311 H TRP 41 H TRP 41 -3.328 -14.259 -10.404 312 HA TRP 41 HA TRP 41 -4.943 -12.022 -9.460 313 1HB TRP 41 1HB TRP 41 -5.091 -13.557 -12.074 314 2HB TRP 41 2HB TRP 41 -5.887 -12.030 -11.712 315 HD1 TRP 41 HD1 TRP 41 -2.144 -12.917 -11.153 316 HE1 TRP 41 HE1 TRP 41 -0.728 -11.199 -12.425 317 HE3 TRP 41 HE3 TRP 41 -5.882 -10.327 -13.457 318 HZ2 TRP 41 HZ2 TRP 41 -1.121 -9.051 -14.188 319 HZ3 TRP 41 HZ3 TRP 41 -5.270 -8.455 -14.909 320 HH2 TRP 41 HH2 TRP 41 -2.946 -7.829 -15.281 321 H LEU 42 H LEU 42 -6.176 -12.902 -7.828 322 HA LEU 42 HA LEU 42 -6.761 -15.695 -7.839 323 1HB LEU 42 1HB LEU 42 -7.950 -13.666 -5.976 324 2HB LEU 42 2HB LEU 42 -7.681 -15.374 -5.684 325 HG LEU 42 HG LEU 42 -5.598 -13.208 -5.865 326 1HD1 LEU 42 1HD1 LEU 42 -6.828 -13.287 -3.786 327 2HD1 LEU 42 2HD1 LEU 42 -5.169 -13.840 -3.551 328 3HD1 LEU 42 3HD1 LEU 42 -6.487 -15.010 -3.629 329 1HD2 LEU 42 1HD2 LEU 42 -4.753 -15.230 -6.929 330 2HD2 LEU 42 2HD2 LEU 42 -5.215 -16.178 -5.516 331 3HD2 LEU 42 3HD2 LEU 42 -3.956 -14.949 -5.381 332 H VAL 43 H VAL 43 -9.033 -12.972 -7.452 333 HA VAL 43 HA VAL 43 -11.236 -14.708 -7.936 334 HB VAL 43 HB VAL 43 -12.514 -12.528 -7.840 335 1HG1 VAL 43 1HG1 VAL 43 -12.330 -14.055 -5.966 336 2HG1 VAL 43 2HG1 VAL 43 -12.250 -12.386 -5.401 337 3HG1 VAL 43 3HG1 VAL 43 -10.776 -13.346 -5.533 338 1HG2 VAL 43 1HG2 VAL 43 -10.722 -10.994 -8.419 339 2HG2 VAL 43 2HG2 VAL 43 -9.837 -11.485 -6.974 340 3HG2 VAL 43 3HG2 VAL 43 -11.369 -10.626 -6.821 341 H ASN 44 H ASN 44 -9.149 -13.099 -9.955 342 HA ASN 44 HA ASN 44 -11.075 -12.834 -12.098 343 1HB ASN 44 1HB ASN 44 -8.136 -12.241 -11.883 344 2HB ASN 44 2HB ASN 44 -8.917 -12.325 -13.457 345 1HD2 ASN 44 1HD2 ASN 44 -10.564 -11.157 -10.611 346 2HD2 ASN 44 2HD2 ASN 44 -10.624 -9.499 -11.091 347 H GLY 45 H GLY 45 -8.081 -14.695 -11.524 348 1HA GLY 45 1HA GLY 45 -8.275 -17.136 -11.796 349 2HA GLY 45 2HA GLY 45 -9.232 -16.814 -13.234 350 H HIS 46 H HIS 46 -6.079 -15.649 -12.016 351 HA HIS 46 HA HIS 46 -4.711 -16.910 -14.233 352 1HB HIS 46 1HB HIS 46 -5.276 -14.005 -14.191 353 2HB HIS 46 2HB HIS 46 -3.615 -14.450 -14.566 354 HD1 HIS 46 HD1 HIS 46 -6.985 -14.236 -16.037 355 HD2 HIS 46 HD2 HIS 46 -3.365 -16.084 -16.934 356 HE1 HIS 46 HE1 HIS 46 -7.136 -14.897 -18.458 357 HE2 HIS 46 HE2 HIS 46 -4.875 -15.854 -19.024 358 H GLU 47 H GLU 47 -2.326 -16.496 -14.123 359 HA GLU 47 HA GLU 47 -1.282 -15.489 -11.588 360 1HB GLU 47 1HB GLU 47 -1.728 -17.925 -11.228 361 2HB GLU 47 2HB GLU 47 -0.658 -18.286 -12.575 362 1HG GLU 47 1HG GLU 47 1.173 -17.148 -11.331 363 2HG GLU 47 2HG GLU 47 0.080 -17.008 -9.956 364 H THR 48 H THR 48 0.509 -14.283 -12.063 365 HA THR 48 HA THR 48 2.346 -15.022 -14.105 366 HB THR 48 HB THR 48 0.571 -14.314 -15.583 367 HG1 THR 48 HG1 THR 48 1.858 -13.165 -16.863 368 1HG2 THR 48 1HG2 THR 48 0.684 -11.645 -14.172 369 2HG2 THR 48 2HG2 THR 48 -0.647 -12.797 -14.105 370 3HG2 THR 48 3HG2 THR 48 -0.256 -11.993 -15.624 371 H THR 49 H THR 49 3.726 -13.029 -14.711 372 HA THR 49 HA THR 49 4.495 -11.747 -12.175 373 HB THR 49 HB THR 49 6.138 -12.052 -14.706 374 HG1 THR 49 HG1 THR 49 5.422 -13.987 -13.207 375 1HG2 THR 49 1HG2 THR 49 8.033 -11.540 -13.239 376 2HG2 THR 49 2HG2 THR 49 6.931 -11.344 -11.874 377 3HG2 THR 49 3HG2 THR 49 6.859 -10.224 -13.235 378 H VAL 50 H VAL 50 3.771 -9.705 -11.986 379 HA VAL 50 HA VAL 50 3.141 -8.262 -14.468 380 HB VAL 50 HB VAL 50 1.234 -8.818 -12.962 381 1HG1 VAL 50 1HG1 VAL 50 0.930 -7.536 -10.899 382 2HG1 VAL 50 2HG1 VAL 50 2.547 -6.856 -11.090 383 3HG1 VAL 50 3HG1 VAL 50 2.344 -8.587 -10.816 384 1HG2 VAL 50 1HG2 VAL 50 0.190 -6.602 -13.047 385 2HG2 VAL 50 2HG2 VAL 50 1.054 -6.982 -14.537 386 3HG2 VAL 50 3HG2 VAL 50 1.768 -5.880 -13.362 387 H TYR 51 H TYR 51 3.626 -6.121 -14.706 388 HA TYR 51 HA TYR 51 5.562 -4.966 -12.822 389 1HB TYR 51 1HB TYR 51 4.985 -4.368 -15.728 390 2HB TYR 51 2HB TYR 51 5.995 -3.339 -14.724 391 HD1 TYR 51 HD1 TYR 51 5.847 -6.330 -16.732 392 HD2 TYR 51 HD2 TYR 51 8.127 -4.270 -13.791 393 HE1 TYR 51 HE1 TYR 51 7.816 -7.688 -17.311 394 HE2 TYR 51 HE2 TYR 51 10.098 -5.620 -14.358 395 HH TYR 51 HH TYR 51 10.359 -7.418 -17.140 396 HA PRO 52 HA PRO 52 1.945 -2.341 -11.863 397 1HB PRO 52 1HB PRO 52 2.919 -1.499 -9.473 398 2HB PRO 52 2HB PRO 52 2.105 -3.056 -9.667 399 1HG PRO 52 1HG PRO 52 5.034 -2.451 -9.536 400 2HG PRO 52 2HG PRO 52 4.128 -3.768 -8.767 401 1HD PRO 52 1HD PRO 52 5.571 -4.103 -11.043 402 2HD PRO 52 2HD PRO 52 4.110 -5.042 -10.680 403 H GLY 53 H GLY 53 1.782 -0.032 -11.823 404 1HA GLY 53 1HA GLY 53 3.670 1.360 -13.337 405 2HA GLY 53 2HA GLY 53 2.395 2.105 -12.392 406 H SER 54 H SER 54 2.849 2.401 -10.054 407 HA SER 54 HA SER 54 5.493 2.317 -9.044 408 1HB SER 54 1HB SER 54 5.751 4.191 -10.673 409 2HB SER 54 2HB SER 54 4.468 5.061 -9.833 410 HG SER 54 HG SER 54 5.896 5.709 -8.459 411 H ASP 55 H ASP 55 5.610 3.408 -6.896 412 HA ASP 55 HA ASP 55 4.815 3.569 -4.776 413 1HB ASP 55 1HB ASP 55 2.558 4.963 -6.230 414 2HB ASP 55 2HB ASP 55 2.728 4.941 -4.477 415 H ALA 56 H ALA 56 4.609 1.132 -5.324 416 HA ALA 56 HA ALA 56 1.913 0.112 -5.329 417 1HB ALA 56 1HB ALA 56 2.947 -2.095 -5.336 418 2HB ALA 56 2HB ALA 56 4.531 -1.366 -5.064 419 3HB ALA 56 3HB ALA 56 3.664 -1.056 -6.568 420 H VAL 57 H VAL 57 0.727 -0.379 -3.633 421 HA VAL 57 HA VAL 57 2.011 -0.559 -0.976 422 HB VAL 57 HB VAL 57 -0.821 0.378 -1.434 423 1HG1 VAL 57 1HG1 VAL 57 1.058 0.707 0.898 424 2HG1 VAL 57 2HG1 VAL 57 -0.301 -0.414 0.804 425 3HG1 VAL 57 3HG1 VAL 57 -0.592 1.325 0.805 426 1HG2 VAL 57 1HG2 VAL 57 -0.049 2.682 -1.190 427 2HG2 VAL 57 2HG2 VAL 57 0.659 1.921 -2.615 428 3HG2 VAL 57 3HG2 VAL 57 1.623 2.120 -1.151 429 H VAL 58 H VAL 58 0.851 -1.978 0.551 430 HA VAL 58 HA VAL 58 -0.286 -4.266 -0.847 431 HB VAL 58 HB VAL 58 0.145 -5.285 1.539 432 1HG1 VAL 58 1HG1 VAL 58 1.180 -6.041 -0.532 433 2HG1 VAL 58 2HG1 VAL 58 2.360 -5.993 0.777 434 3HG1 VAL 58 3HG1 VAL 58 2.340 -4.716 -0.441 435 1HG2 VAL 58 1HG2 VAL 58 2.159 -4.348 2.582 436 2HG2 VAL 58 2HG2 VAL 58 0.805 -3.218 2.618 437 3HG2 VAL 58 3HG2 VAL 58 2.103 -3.002 1.442 438 H VAL 59 H VAL 59 -2.398 -4.433 -0.849 439 HA VAL 59 HA VAL 59 -4.001 -3.398 1.348 440 HB VAL 59 HB VAL 59 -5.851 -3.877 -0.271 441 1HG1 VAL 59 1HG1 VAL 59 -3.761 -1.904 -1.133 442 2HG1 VAL 59 2HG1 VAL 59 -5.020 -1.621 0.072 443 3HG1 VAL 59 3HG1 VAL 59 -5.456 -1.876 -1.619 444 1HG2 VAL 59 1HG2 VAL 59 -4.748 -5.471 -1.695 445 2HG2 VAL 59 2HG2 VAL 59 -3.574 -4.247 -2.180 446 3HG2 VAL 59 3HG2 VAL 59 -5.269 -4.076 -2.640 447 H THR 60 H THR 60 -6.093 -4.779 1.527 448 HA THR 60 HA THR 60 -5.275 -7.604 1.886 449 HB THR 60 HB THR 60 -7.118 -7.410 3.774 450 HG1 THR 60 HG1 THR 60 -6.201 -4.738 3.822 451 1HG2 THR 60 1HG2 THR 60 -5.400 -6.763 5.377 452 2HG2 THR 60 2HG2 THR 60 -4.401 -6.151 4.057 453 3HG2 THR 60 3HG2 THR 60 -4.760 -7.876 4.167 454 H ALA 61 H ALA 61 -7.833 -8.569 2.626 455 HA ALA 61 HA ALA 61 -8.826 -9.429 0.243 456 1HB ALA 61 1HB ALA 61 -10.391 -9.202 2.798 457 2HB ALA 61 2HB ALA 61 -9.232 -10.475 2.417 458 3HB ALA 61 3HB ALA 61 -10.705 -10.308 1.461 459 H THR 62 H THR 62 -10.194 -6.663 2.093 460 HA THR 62 HA THR 62 -12.496 -6.529 0.401 461 HB THR 62 HB THR 62 -12.409 -4.051 1.483 462 HG1 THR 62 HG1 THR 62 -11.061 -3.986 3.109 463 1HG2 THR 62 1HG2 THR 62 -13.864 -4.966 3.236 464 2HG2 THR 62 2HG2 THR 62 -13.339 -6.595 2.807 465 3HG2 THR 62 3HG2 THR 62 -14.248 -5.627 1.646 466 H GLU 63 H GLU 63 -9.435 -4.795 0.430 467 HA GLU 63 HA GLU 63 -10.189 -3.109 -1.760 468 1HB GLU 63 1HB GLU 63 -7.411 -3.806 -0.799 469 2HB GLU 63 2HB GLU 63 -7.868 -2.428 -1.789 470 1HG GLU 63 1HG GLU 63 -8.570 -2.917 1.092 471 2HG GLU 63 2HG GLU 63 -7.501 -1.676 0.441 472 H HIS 64 H HIS 64 -9.252 -6.320 -1.395 473 HA HIS 64 HA HIS 64 -7.874 -6.687 -3.843 474 1HB HIS 64 1HB HIS 64 -7.310 -8.575 -2.814 475 2HB HIS 64 2HB HIS 64 -8.463 -8.236 -1.538 476 HD1 HIS 64 HD1 HIS 64 -8.070 -10.224 -4.720 477 HD2 HIS 64 HD2 HIS 64 -10.727 -9.850 -1.534 478 HE1 HIS 64 HE1 HIS 64 -9.613 -12.195 -4.880 479 HE2 HIS 64 HE2 HIS 64 -11.076 -12.060 -2.831 480 H ALA 65 H ALA 65 -11.266 -7.105 -2.907 481 HA ALA 65 HA ALA 65 -12.031 -8.727 -5.056 482 1HB ALA 65 1HB ALA 65 -13.345 -8.455 -3.008 483 2HB ALA 65 2HB ALA 65 -14.315 -8.159 -4.451 484 3HB ALA 65 3HB ALA 65 -13.738 -6.802 -3.483 485 H GLU 66 H GLU 66 -12.942 -5.320 -4.644 486 HA GLU 66 HA GLU 66 -13.935 -5.113 -7.271 487 1HB GLU 66 1HB GLU 66 -14.161 -2.703 -6.761 488 2HB GLU 66 2HB GLU 66 -14.836 -3.738 -5.514 489 1HG GLU 66 1HG GLU 66 -13.751 -2.314 -4.151 490 2HG GLU 66 2HG GLU 66 -12.380 -3.370 -4.494 491 H ALA 67 H ALA 67 -10.805 -4.449 -5.873 492 HA ALA 67 HA ALA 67 -9.884 -2.980 -8.166 493 1HB ALA 67 1HB ALA 67 -7.731 -2.930 -7.060 494 2HB ALA 67 2HB ALA 67 -8.294 -4.101 -5.868 495 3HB ALA 67 3HB ALA 67 -9.011 -2.490 -5.931 496 H GLU 68 H GLU 68 -10.003 -6.330 -7.261 497 HA GLU 68 HA GLU 68 -7.827 -7.074 -8.969 498 1HB GLU 68 1HB GLU 68 -9.160 -8.396 -7.004 499 2HB GLU 68 2HB GLU 68 -9.881 -9.118 -8.438 500 1HG GLU 68 1HG GLU 68 -7.967 -10.158 -9.053 501 2HG GLU 68 2HG GLU 68 -6.933 -8.887 -8.403 502 H LYS 69 H LYS 69 -11.368 -7.153 -9.221 503 HA LYS 69 HA LYS 69 -11.521 -8.039 -11.875 504 1HB LYS 69 1HB LYS 69 -13.506 -7.817 -10.486 505 2HB LYS 69 2HB LYS 69 -13.284 -6.076 -10.394 506 1HG LYS 69 1HG LYS 69 -13.619 -5.971 -12.858 507 2HG LYS 69 2HG LYS 69 -14.017 -7.690 -12.824 508 1HD LYS 69 1HD LYS 69 -15.882 -7.246 -11.325 509 2HD LYS 69 2HD LYS 69 -15.461 -5.533 -11.286 510 1HE LYS 69 1HE LYS 69 -17.303 -5.896 -12.811 511 2HE LYS 69 2HE LYS 69 -15.869 -5.399 -13.709 512 1HZ LYS 69 1HZ LYS 69 -16.807 -8.202 -13.406 513 2HZ LYS 69 2HZ LYS 69 -15.481 -7.686 -14.326 514 3HZ LYS 69 3HZ LYS 69 -17.052 -7.236 -14.778 515 H ARG 70 H ARG 70 -11.874 -4.658 -10.832 516 HA ARG 70 HA ARG 70 -11.721 -3.651 -13.474 517 1HB ARG 70 1HB ARG 70 -11.265 -2.088 -10.934 518 2HB ARG 70 2HB ARG 70 -11.873 -1.485 -12.469 519 1HG ARG 70 1HG ARG 70 -13.941 -2.632 -12.186 520 2HG ARG 70 2HG ARG 70 -13.330 -3.494 -10.771 521 1HD ARG 70 1HD ARG 70 -13.017 -1.235 -9.687 522 2HD ARG 70 2HD ARG 70 -13.927 -0.555 -11.035 523 HE ARG 70 HE ARG 70 -15.445 -2.638 -9.979 524 1HH1 ARG 70 1HH1 ARG 70 -14.264 0.513 -8.997 525 2HH1 ARG 70 2HH1 ARG 70 -15.539 0.767 -7.846 526 1HH2 ARG 70 1HH2 ARG 70 -17.133 -2.282 -8.502 527 2HH2 ARG 70 2HH2 ARG 70 -17.193 -0.798 -7.595 528 H ALA 71 H ALA 71 -9.419 -3.610 -10.773 529 HA ALA 71 HA ALA 71 -7.628 -1.954 -12.293 530 1HB ALA 71 1HB ALA 71 -6.317 -1.793 -10.280 531 2HB ALA 71 2HB ALA 71 -7.270 -3.071 -9.527 532 3HB ALA 71 3HB ALA 71 -8.022 -1.525 -9.919 533 H ALA 72 H ALA 72 -7.799 -5.425 -11.553 534 HA ALA 72 HA ALA 72 -5.062 -5.787 -12.392 535 1HB ALA 72 1HB ALA 72 -6.140 -7.501 -10.988 536 2HB ALA 72 2HB ALA 72 -5.494 -8.161 -12.489 537 3HB ALA 72 3HB ALA 72 -7.227 -7.886 -12.322 538 H ALA 73 H ALA 73 -8.268 -5.993 -13.925 539 HA ALA 73 HA ALA 73 -7.382 -6.743 -16.477 540 1HB ALA 73 1HB ALA 73 -9.743 -6.675 -15.837 541 2HB ALA 73 2HB ALA 73 -9.447 -5.761 -17.316 542 3HB ALA 73 3HB ALA 73 -9.678 -4.913 -15.787 543 H ARG 74 H ARG 74 -7.264 -3.665 -14.820 544 HA ARG 74 HA ARG 74 -6.435 -2.211 -17.170 545 1HB ARG 74 1HB ARG 74 -7.648 -1.385 -14.963 546 2HB ARG 74 2HB ARG 74 -5.994 -1.150 -14.419 547 1HG ARG 74 1HG ARG 74 -5.554 0.329 -16.281 548 2HG ARG 74 2HG ARG 74 -7.175 0.042 -16.919 549 1HD ARG 74 1HD ARG 74 -8.104 0.968 -14.812 550 2HD ARG 74 2HD ARG 74 -6.463 1.365 -14.308 551 HE ARG 74 HE ARG 74 -7.771 2.525 -16.691 552 1HH1 ARG 74 1HH1 ARG 74 -5.600 2.763 -13.946 553 2HH1 ARG 74 2HH1 ARG 74 -5.303 4.460 -14.181 554 1HH2 ARG 74 1HH2 ARG 74 -7.387 4.754 -16.983 555 2HH2 ARG 74 2HH2 ARG 74 -6.306 5.594 -15.910 556 H ALA 75 H ALA 75 -4.858 -3.526 -14.265 557 HA ALA 75 HA ALA 75 -2.221 -2.708 -14.651 558 1HB ALA 75 1HB ALA 75 -1.581 -4.686 -13.383 559 2HB ALA 75 2HB ALA 75 -3.179 -5.389 -13.637 560 3HB ALA 75 3HB ALA 75 -3.004 -3.922 -12.674 561 H GLY 76 H GLY 76 -3.612 -5.836 -15.682 562 1HA GLY 76 1HA GLY 76 -1.377 -6.139 -17.560 563 2HA GLY 76 2HA GLY 76 -2.472 -7.412 -17.037 564 H HIS 77 H HIS 77 -2.998 -4.197 -18.471 565 HA HIS 77 HA HIS 77 -5.113 -5.201 -20.115 566 1HB HIS 77 1HB HIS 77 -5.310 -2.938 -20.980 567 2HB HIS 77 2HB HIS 77 -5.144 -2.899 -19.231 568 HD1 HIS 77 HD1 HIS 77 -3.120 -1.678 -18.263 569 HD2 HIS 77 HD2 HIS 77 -3.099 -1.890 -22.418 570 HE1 HIS 77 HE1 HIS 77 -1.298 -0.119 -19.015 571 HE2 HIS 77 HE2 HIS 77 -1.439 -0.115 -21.531 572 H ALA 78 H ALA 78 -1.826 -5.349 -20.427 573 HA ALA 78 HA ALA 78 -1.973 -6.459 -23.042 574 1HB ALA 78 1HB ALA 78 -1.994 -4.083 -23.670 575 2HB ALA 78 2HB ALA 78 -0.518 -4.885 -24.207 576 3HB ALA 78 3HB ALA 78 -0.487 -3.841 -22.785 577 H ALA 79 H ALA 79 -0.996 -6.976 -20.272 578 HA ALA 79 HA ALA 79 1.831 -7.486 -20.875 579 1HB ALA 79 1HB ALA 79 1.695 -5.502 -19.454 580 2HB ALA 79 2HB ALA 79 2.464 -6.849 -18.616 581 3HB ALA 79 3HB ALA 79 0.792 -6.425 -18.254 582 H THR 80 H THR 80 1.450 -9.634 -21.265 583 HA THR 80 HA THR 80 1.526 -11.246 -18.878 584 HB THR 80 HB THR 80 -0.589 -11.847 -20.972 585 HG1 THR 80 HG1 THR 80 -0.643 -10.396 -18.664 586 1HG2 THR 80 1HG2 THR 80 0.090 -13.285 -18.401 587 2HG2 THR 80 2HG2 THR 80 0.450 -13.865 -20.027 588 3HG2 THR 80 3HG2 THR 80 -1.225 -13.693 -19.503 Start of MODEL 6 1 H MET 1 H MET 1 8.607 1.072 -0.805 2 HA MET 1 HA MET 1 7.521 1.472 1.912 3 1HB MET 1 1HB MET 1 5.452 0.413 1.009 4 2HB MET 1 2HB MET 1 5.783 2.004 0.346 5 1HG MET 1 1HG MET 1 5.061 0.734 -1.466 6 2HG MET 1 2HG MET 1 6.813 0.797 -1.634 7 1HE MET 1 1HE MET 1 4.766 -1.264 -3.096 8 2HE MET 1 2HE MET 1 5.711 -2.751 -3.021 9 3HE MET 1 3HE MET 1 6.498 -1.227 -3.430 10 H HIS 2 H HIS 2 6.233 -0.887 2.166 11 HA HIS 2 HA HIS 2 8.203 -2.984 1.598 12 1HB HIS 2 1HB HIS 2 8.524 -1.915 3.927 13 2HB HIS 2 2HB HIS 2 6.987 -2.657 4.347 14 HD1 HIS 2 HD1 HIS 2 6.955 -5.214 4.710 15 HD2 HIS 2 HD2 HIS 2 10.687 -3.685 3.662 16 HE1 HIS 2 HE1 HIS 2 8.600 -7.067 5.146 17 HE2 HIS 2 HE2 HIS 2 10.850 -6.134 4.502 18 H ALA 3 H ALA 3 7.243 -5.125 1.660 19 HA ALA 3 HA ALA 3 4.310 -5.125 1.669 20 1HB ALA 3 1HB ALA 3 5.018 -4.666 -0.630 21 2HB ALA 3 2HB ALA 3 4.222 -6.234 -0.492 22 3HB ALA 3 3HB ALA 3 5.979 -6.144 -0.626 23 H LYS 4 H LYS 4 3.509 -7.435 1.225 24 HA LYS 4 HA LYS 4 5.227 -9.429 2.500 25 1HB LYS 4 1HB LYS 4 3.894 -8.370 4.292 26 2HB LYS 4 2HB LYS 4 2.418 -8.733 3.413 27 1HG LYS 4 1HG LYS 4 2.764 -11.097 3.712 28 2HG LYS 4 2HG LYS 4 4.332 -10.807 4.463 29 1HD LYS 4 1HD LYS 4 2.879 -11.221 6.257 30 2HD LYS 4 2HD LYS 4 3.055 -9.468 6.222 31 1HE LYS 4 1HE LYS 4 0.796 -10.723 4.736 32 2HE LYS 4 2HE LYS 4 0.695 -10.609 6.490 33 1HZ LYS 4 1HZ LYS 4 1.025 -8.360 4.574 34 2HZ LYS 4 2HZ LYS 4 1.086 -8.196 6.265 35 3HZ LYS 4 3HZ LYS 4 -0.339 -8.709 5.510 36 H VAL 5 H VAL 5 4.642 -11.586 1.987 37 HA VAL 5 HA VAL 5 3.000 -11.914 -0.399 38 HB VAL 5 HB VAL 5 5.018 -13.252 -0.286 39 1HG1 VAL 5 1HG1 VAL 5 3.979 -14.365 2.319 40 2HG1 VAL 5 2HG1 VAL 5 5.359 -13.284 2.119 41 3HG1 VAL 5 3HG1 VAL 5 5.419 -14.922 1.466 42 1HG2 VAL 5 1HG2 VAL 5 3.111 -14.345 -1.328 43 2HG2 VAL 5 2HG2 VAL 5 2.628 -15.019 0.229 44 3HG2 VAL 5 3HG2 VAL 5 4.142 -15.526 -0.521 45 H GLY 6 H GLY 6 1.003 -13.025 -0.441 46 1HA GLY 6 1HA GLY 6 -1.003 -13.782 0.533 47 2HA GLY 6 2HA GLY 6 -0.260 -13.639 2.128 48 H ASP 7 H ASP 7 0.048 -11.200 -0.201 49 HA ASP 7 HA ASP 7 -2.009 -9.376 1.042 50 1HB ASP 7 1HB ASP 7 0.973 -9.023 0.912 51 2HB ASP 7 2HB ASP 7 -0.040 -7.627 0.576 52 H TYR 8 H TYR 8 -1.684 -7.281 -0.360 53 HA TYR 8 HA TYR 8 -1.888 -8.192 -3.157 54 1HB TYR 8 1HB TYR 8 -3.956 -6.645 -1.567 55 2HB TYR 8 2HB TYR 8 -4.010 -6.851 -3.306 56 HD1 TYR 8 HD1 TYR 8 -4.899 -8.811 -4.279 57 HD2 TYR 8 HD2 TYR 8 -4.330 -8.627 -0.068 58 HE1 TYR 8 HE1 TYR 8 -6.305 -10.819 -4.017 59 HE2 TYR 8 HE2 TYR 8 -5.723 -10.644 0.200 60 HH TYR 8 HH TYR 8 -6.554 -12.668 -2.298 61 H LEU 9 H LEU 9 -2.402 -6.179 -4.553 62 HA LEU 9 HA LEU 9 -0.651 -3.994 -3.686 63 1HB LEU 9 1HB LEU 9 0.848 -5.560 -4.680 64 2HB LEU 9 2HB LEU 9 -0.229 -5.842 -6.029 65 HG LEU 9 HG LEU 9 0.920 -3.102 -5.671 66 1HD1 LEU 9 1HD1 LEU 9 2.839 -4.577 -5.398 67 2HD1 LEU 9 2HD1 LEU 9 2.889 -3.776 -6.968 68 3HD1 LEU 9 3HD1 LEU 9 2.383 -5.461 -6.854 69 1HD2 LEU 9 1HD2 LEU 9 -0.732 -3.506 -7.427 70 2HD2 LEU 9 2HD2 LEU 9 0.266 -4.807 -8.077 71 3HD2 LEU 9 3HD2 LEU 9 0.849 -3.142 -8.119 72 H VAL 10 H VAL 10 -0.959 -2.087 -4.665 73 HA VAL 10 HA VAL 10 -2.790 -1.866 -6.942 74 HB VAL 10 HB VAL 10 -2.976 -0.064 -4.505 75 1HG1 VAL 10 1HG1 VAL 10 -4.684 -0.228 -6.980 76 2HG1 VAL 10 2HG1 VAL 10 -3.569 1.071 -6.558 77 3HG1 VAL 10 3HG1 VAL 10 -5.011 0.793 -5.581 78 1HG2 VAL 10 1HG2 VAL 10 -4.886 -2.220 -5.382 79 2HG2 VAL 10 2HG2 VAL 10 -5.150 -1.075 -4.066 80 3HG2 VAL 10 3HG2 VAL 10 -3.852 -2.263 -3.954 81 H VAL 11 H VAL 11 -2.477 0.300 -8.027 82 HA VAL 11 HA VAL 11 -0.075 1.727 -7.130 83 HB VAL 11 HB VAL 11 0.574 0.180 -8.987 84 1HG1 VAL 11 1HG1 VAL 11 -1.239 1.917 -10.649 85 2HG1 VAL 11 2HG1 VAL 11 -1.494 0.216 -10.259 86 3HG1 VAL 11 3HG1 VAL 11 -0.127 0.694 -11.265 87 1HG2 VAL 11 1HG2 VAL 11 1.782 1.861 -10.307 88 2HG2 VAL 11 2HG2 VAL 11 1.872 2.181 -8.576 89 3HG2 VAL 11 3HG2 VAL 11 0.782 3.126 -9.590 90 H LYS 12 H LYS 12 -0.230 3.914 -7.285 91 HA LYS 12 HA LYS 12 -2.759 5.026 -8.179 92 1HB LYS 12 1HB LYS 12 -1.531 5.758 -6.076 93 2HB LYS 12 2HB LYS 12 -0.359 6.534 -7.129 94 1HG LYS 12 1HG LYS 12 -1.918 8.106 -7.893 95 2HG LYS 12 2HG LYS 12 -3.286 7.167 -7.287 96 1HD LYS 12 1HD LYS 12 -3.222 8.515 -5.504 97 2HD LYS 12 2HD LYS 12 -1.794 7.603 -5.020 98 1HE LYS 12 1HE LYS 12 -1.809 10.153 -6.630 99 2HE LYS 12 2HE LYS 12 -1.401 10.012 -4.923 100 1HZ LYS 12 1HZ LYS 12 0.600 10.114 -6.162 101 2HZ LYS 12 2HZ LYS 12 0.101 8.896 -7.224 102 3HZ LYS 12 3HZ LYS 12 0.447 8.518 -5.609 103 H GLY 13 H GLY 13 0.622 5.038 -9.089 104 1HA GLY 13 1HA GLY 13 1.640 5.361 -11.106 105 2HA GLY 13 2HA GLY 13 0.076 5.010 -11.817 106 H THR 14 H THR 14 -0.557 6.503 -13.173 107 HA THR 14 HA THR 14 0.539 9.206 -12.908 108 HB THR 14 HB THR 14 -0.248 9.343 -15.358 109 HG1 THR 14 HG1 THR 14 -0.488 7.292 -16.357 110 1HG2 THR 14 1HG2 THR 14 1.775 8.214 -16.159 111 2HG2 THR 14 2HG2 THR 14 1.937 7.394 -14.607 112 3HG2 THR 14 3HG2 THR 14 2.109 9.147 -14.700 113 H THR 15 H THR 15 -2.175 7.734 -11.958 114 HA THR 15 HA THR 15 -3.944 9.902 -12.859 115 HB THR 15 HB THR 15 -4.714 7.629 -13.432 116 HG1 THR 15 HG1 THR 15 -6.370 9.042 -13.158 117 1HG2 THR 15 1HG2 THR 15 -3.752 6.398 -11.559 118 2HG2 THR 15 2HG2 THR 15 -5.489 6.112 -11.667 119 3HG2 THR 15 3HG2 THR 15 -4.851 7.211 -10.444 120 H THR 16 H THR 16 -5.450 10.800 -11.261 121 HA THR 16 HA THR 16 -3.932 11.363 -8.860 122 HB THR 16 HB THR 16 -6.533 12.631 -9.726 123 HG1 THR 16 HG1 THR 16 -3.832 13.308 -10.377 124 1HG2 THR 16 1HG2 THR 16 -4.296 13.607 -7.942 125 2HG2 THR 16 2HG2 THR 16 -5.878 13.049 -7.399 126 3HG2 THR 16 3HG2 THR 16 -5.747 14.513 -8.372 127 H GLU 17 H GLU 17 -4.165 9.748 -7.441 128 HA GLU 17 HA GLU 17 -5.001 8.699 -5.629 129 1HB GLU 17 1HB GLU 17 -7.255 10.684 -5.924 130 2HB GLU 17 2HB GLU 17 -7.018 9.635 -4.531 131 1HG GLU 17 1HG GLU 17 -4.789 10.687 -4.201 132 2HG GLU 17 2HG GLU 17 -5.185 11.817 -5.494 133 H ARG 18 H ARG 18 -5.947 7.981 -8.478 134 HA ARG 18 HA ARG 18 -8.269 6.376 -7.750 135 1HB ARG 18 1HB ARG 18 -8.396 7.327 -9.951 136 2HB ARG 18 2HB ARG 18 -6.789 6.740 -10.360 137 1HG ARG 18 1HG ARG 18 -7.595 4.443 -10.284 138 2HG ARG 18 2HG ARG 18 -9.203 5.014 -9.844 139 1HD ARG 18 1HD ARG 18 -7.812 5.864 -12.371 140 2HD ARG 18 2HD ARG 18 -8.821 4.423 -12.282 141 HE ARG 18 HE ARG 18 -10.178 6.743 -11.306 142 1HH1 ARG 18 1HH1 ARG 18 -9.218 5.067 -14.243 143 2HH1 ARG 18 2HH1 ARG 18 -10.553 5.687 -15.171 144 1HH2 ARG 18 1HH2 ARG 18 -11.923 7.561 -12.551 145 2HH2 ARG 18 2HH2 ARG 18 -12.086 7.081 -14.219 146 H HIS 19 H HIS 19 -8.178 4.257 -7.268 147 HA HIS 19 HA HIS 19 -5.514 3.082 -7.004 148 1HB HIS 19 1HB HIS 19 -8.188 2.092 -5.978 149 2HB HIS 19 2HB HIS 19 -6.616 1.405 -5.589 150 HD1 HIS 19 HD1 HIS 19 -8.895 4.227 -4.765 151 HD2 HIS 19 HD2 HIS 19 -5.093 2.890 -3.732 152 HE1 HIS 19 HE1 HIS 19 -8.250 5.540 -2.717 153 HE2 HIS 19 HE2 HIS 19 -5.909 4.787 -2.163 154 H ASP 20 H ASP 20 -4.867 2.125 -8.873 155 HA ASP 20 HA ASP 20 -6.711 0.148 -10.026 156 1HB ASP 20 1HB ASP 20 -6.435 2.376 -11.351 157 2HB ASP 20 2HB ASP 20 -4.871 1.703 -11.806 158 H GLN 21 H GLN 21 -5.320 -1.192 -11.749 159 HA GLN 21 HA GLN 21 -4.053 -3.062 -11.766 160 1HB GLN 21 1HB GLN 21 -1.941 -1.167 -10.729 161 2HB GLN 21 2HB GLN 21 -1.637 -2.742 -11.453 162 1HG GLN 21 1HG GLN 21 -2.786 -1.894 -13.523 163 2HG GLN 21 2HG GLN 21 -2.774 -0.296 -12.780 164 1HE2 GLN 21 1HE2 GLN 21 -0.215 -2.644 -12.410 165 2HE2 GLN 21 2HE2 GLN 21 0.976 -1.770 -13.305 166 H HIS 22 H HIS 22 -4.636 -4.656 -10.405 167 HA HIS 22 HA HIS 22 -3.777 -4.482 -7.608 168 1HB HIS 22 1HB HIS 22 -6.117 -3.588 -7.840 169 2HB HIS 22 2HB HIS 22 -6.607 -5.188 -8.383 170 HD1 HIS 22 HD1 HIS 22 -5.697 -7.144 -6.464 171 HD2 HIS 22 HD2 HIS 22 -6.648 -3.280 -5.237 172 HE1 HIS 22 HE1 HIS 22 -6.144 -7.302 -4.006 173 HE2 HIS 22 HE2 HIS 22 -6.896 -4.999 -3.330 174 H ALA 23 H ALA 23 -2.923 -6.254 -6.941 175 HA ALA 23 HA ALA 23 -3.672 -8.890 -8.017 176 1HB ALA 23 1HB ALA 23 -1.768 -8.078 -9.336 177 2HB ALA 23 2HB ALA 23 -1.363 -9.491 -8.359 178 3HB ALA 23 3HB ALA 23 -0.838 -7.884 -7.852 179 H GLU 24 H GLU 24 -2.201 -10.547 -6.837 180 HA GLU 24 HA GLU 24 -1.885 -9.833 -4.008 181 1HB GLU 24 1HB GLU 24 -4.077 -11.019 -4.394 182 2HB GLU 24 2HB GLU 24 -3.160 -12.397 -4.982 183 1HG GLU 24 1HG GLU 24 -2.504 -11.338 -2.287 184 2HG GLU 24 2HG GLU 24 -4.016 -12.216 -2.484 185 H ILE 25 H ILE 25 -0.088 -10.460 -3.254 186 HA ILE 25 HA ILE 25 1.815 -11.559 -5.133 187 HB ILE 25 HB ILE 25 2.646 -10.640 -2.428 188 1HG1 ILE 25 1HG1 ILE 25 1.707 -8.715 -4.574 189 2HG1 ILE 25 2HG1 ILE 25 0.861 -9.031 -3.063 190 1HG2 ILE 25 1HG2 ILE 25 3.663 -10.128 -5.217 191 2HG2 ILE 25 2HG2 ILE 25 4.279 -11.336 -4.088 192 3HG2 ILE 25 3HG2 ILE 25 4.451 -9.619 -3.724 193 1HD1 ILE 25 1HD1 ILE 25 2.128 -6.955 -2.977 194 2HD1 ILE 25 2HD1 ILE 25 3.614 -7.842 -3.316 195 3HD1 ILE 25 3HD1 ILE 25 2.740 -8.129 -1.811 196 H ILE 26 H ILE 26 1.776 -13.722 -5.129 197 HA ILE 26 HA ILE 26 1.933 -15.138 -2.572 198 HB ILE 26 HB ILE 26 1.600 -17.208 -3.751 199 1HG1 ILE 26 1HG1 ILE 26 2.902 -16.533 -5.830 200 2HG1 ILE 26 2HG1 ILE 26 1.425 -17.435 -6.133 201 1HG2 ILE 26 1HG2 ILE 26 -0.637 -16.804 -4.756 202 2HG2 ILE 26 2HG2 ILE 26 -0.313 -15.070 -4.731 203 3HG2 ILE 26 3HG2 ILE 26 -0.419 -15.967 -3.216 204 1HD1 ILE 26 1HD1 ILE 26 1.745 -14.456 -6.396 205 2HD1 ILE 26 2HD1 ILE 26 0.284 -15.382 -6.744 206 3HD1 ILE 26 3HD1 ILE 26 1.735 -15.620 -7.721 207 H GLU 27 H GLU 27 3.840 -13.911 -5.062 208 HA GLU 27 HA GLU 27 6.178 -15.126 -3.802 209 1HB GLU 27 1HB GLU 27 5.347 -15.911 -6.323 210 2HB GLU 27 2HB GLU 27 6.552 -14.679 -6.669 211 1HG GLU 27 1HG GLU 27 6.938 -17.168 -5.022 212 2HG GLU 27 2HG GLU 27 7.590 -16.848 -6.626 213 H VAL 28 H VAL 28 7.984 -13.775 -3.750 214 HA VAL 28 HA VAL 28 7.423 -10.963 -4.401 215 HB VAL 28 HB VAL 28 8.300 -11.880 -1.658 216 1HG1 VAL 28 1HG1 VAL 28 7.911 -9.549 -1.015 217 2HG1 VAL 28 2HG1 VAL 28 7.504 -9.158 -2.685 218 3HG1 VAL 28 3HG1 VAL 28 9.138 -9.681 -2.274 219 1HG2 VAL 28 1HG2 VAL 28 5.595 -10.872 -2.530 220 2HG2 VAL 28 2HG2 VAL 28 6.090 -11.183 -0.866 221 3HG2 VAL 28 3HG2 VAL 28 5.978 -12.514 -2.017 222 H ARG 29 H ARG 29 9.201 -10.682 -5.755 223 HA ARG 29 HA ARG 29 11.734 -11.947 -5.027 224 1HB ARG 29 1HB ARG 29 10.644 -12.035 -7.387 225 2HB ARG 29 2HB ARG 29 11.277 -10.405 -7.564 226 1HG ARG 29 1HG ARG 29 13.488 -11.668 -6.701 227 2HG ARG 29 2HG ARG 29 12.680 -12.993 -7.539 228 1HD ARG 29 1HD ARG 29 14.045 -11.978 -9.162 229 2HD ARG 29 2HD ARG 29 12.417 -11.388 -9.495 230 HE ARG 29 HE ARG 29 13.696 -9.587 -7.763 231 1HH1 ARG 29 1HH1 ARG 29 13.840 -10.665 -11.101 232 2HH1 ARG 29 2HH1 ARG 29 14.536 -9.176 -11.678 233 1HH2 ARG 29 1HH2 ARG 29 14.579 -7.635 -8.519 234 2HH2 ARG 29 2HH2 ARG 29 14.969 -7.456 -10.211 235 H SER 30 H SER 30 12.118 -10.486 -3.279 236 HA SER 30 HA SER 30 13.974 -8.519 -3.728 237 1HB SER 30 1HB SER 30 12.653 -6.434 -3.158 238 2HB SER 30 2HB SER 30 12.346 -7.092 -4.765 239 HG SER 30 HG SER 30 10.342 -7.054 -4.170 240 H ALA 31 H ALA 31 11.278 -9.559 -1.774 241 HA ALA 31 HA ALA 31 11.090 -10.138 0.406 242 1HB ALA 31 1HB ALA 31 13.365 -11.022 0.287 243 2HB ALA 31 2HB ALA 31 13.026 -10.301 1.861 244 3HB ALA 31 3HB ALA 31 14.005 -9.427 0.682 245 H ASP 32 H ASP 32 12.173 -7.070 -0.606 246 HA ASP 32 HA ASP 32 11.301 -5.860 1.919 247 1HB ASP 32 1HB ASP 32 12.433 -3.877 1.294 248 2HB ASP 32 2HB ASP 32 13.518 -5.185 0.839 249 H GLY 33 H GLY 33 10.636 -5.969 -1.534 250 1HA GLY 33 1HA GLY 33 8.146 -5.829 -1.956 251 2HA GLY 33 2HA GLY 33 8.238 -4.318 -1.064 252 H SER 34 H SER 34 11.042 -4.720 -2.844 253 HA SER 34 HA SER 34 10.277 -2.732 -4.760 254 1HB SER 34 1HB SER 34 12.790 -4.420 -4.597 255 2HB SER 34 2HB SER 34 12.573 -2.992 -5.609 256 HG SER 34 HG SER 34 12.518 -3.094 -2.759 257 HA PRO 35 HA PRO 35 8.794 -5.428 -7.981 258 1HB PRO 35 1HB PRO 35 9.785 -3.428 -9.902 259 2HB PRO 35 2HB PRO 35 8.129 -3.955 -9.588 260 1HG PRO 35 1HG PRO 35 9.005 -1.522 -8.856 261 2HG PRO 35 2HG PRO 35 7.822 -2.423 -7.891 262 1HD PRO 35 1HD PRO 35 10.763 -2.074 -7.443 263 2HD PRO 35 2HD PRO 35 9.432 -2.048 -6.265 264 HA PRO 36 HA PRO 36 8.492 -6.114 -10.170 265 1HB PRO 36 1HB PRO 36 8.697 -8.461 -11.407 266 2HB PRO 36 2HB PRO 36 9.330 -6.985 -12.144 267 1HG PRO 36 1HG PRO 36 10.786 -9.156 -10.695 268 2HG PRO 36 2HG PRO 36 11.243 -8.298 -12.176 269 1HD PRO 36 1HD PRO 36 12.224 -7.710 -9.683 270 2HD PRO 36 2HD PRO 36 12.148 -6.554 -11.025 271 H TYR 37 H TYR 37 7.105 -8.226 -10.181 272 HA TYR 37 HA TYR 37 7.513 -9.733 -7.683 273 1HB TYR 37 1HB TYR 37 4.816 -8.632 -8.469 274 2HB TYR 37 2HB TYR 37 5.278 -9.372 -6.944 275 HD1 TYR 37 HD1 TYR 37 6.371 -8.067 -5.215 276 HD2 TYR 37 HD2 TYR 37 5.420 -6.334 -8.980 277 HE1 TYR 37 HE1 TYR 37 6.751 -5.823 -4.278 278 HE2 TYR 37 HE2 TYR 37 5.804 -4.095 -8.057 279 HH TYR 37 HH TYR 37 7.218 -3.599 -4.948 280 H VAL 38 H VAL 38 5.765 -11.494 -7.554 281 HA VAL 38 HA VAL 38 4.884 -12.386 -10.209 282 HB VAL 38 HB VAL 38 6.230 -14.215 -8.193 283 1HG1 VAL 38 1HG1 VAL 38 4.299 -15.277 -9.248 284 2HG1 VAL 38 2HG1 VAL 38 5.796 -15.982 -9.862 285 3HG1 VAL 38 3HG1 VAL 38 4.901 -14.820 -10.841 286 1HG2 VAL 38 1HG2 VAL 38 7.824 -12.918 -9.518 287 2HG2 VAL 38 2HG2 VAL 38 7.021 -13.441 -11.000 288 3HG2 VAL 38 3HG2 VAL 38 7.853 -14.620 -9.985 289 H VAL 39 H VAL 39 2.837 -12.798 -10.127 290 HA VAL 39 HA VAL 39 1.606 -12.544 -7.499 291 HB VAL 39 HB VAL 39 2.472 -10.385 -8.936 292 1HG1 VAL 39 1HG1 VAL 39 0.925 -10.699 -10.735 293 2HG1 VAL 39 2HG1 VAL 39 0.513 -9.234 -9.842 294 3HG1 VAL 39 3HG1 VAL 39 -0.435 -10.705 -9.614 295 1HG2 VAL 39 1HG2 VAL 39 0.158 -10.460 -7.022 296 2HG2 VAL 39 2HG2 VAL 39 1.076 -9.022 -7.471 297 3HG2 VAL 39 3HG2 VAL 39 1.870 -10.341 -6.611 298 H ARG 40 H ARG 40 -0.843 -12.375 -7.829 299 HA ARG 40 HA ARG 40 -1.670 -13.816 -10.240 300 1HB ARG 40 1HB ARG 40 -1.187 -15.412 -8.348 301 2HB ARG 40 2HB ARG 40 -2.453 -14.617 -7.427 302 1HG ARG 40 1HG ARG 40 -4.024 -15.232 -9.303 303 2HG ARG 40 2HG ARG 40 -2.729 -16.254 -9.926 304 1HD ARG 40 1HD ARG 40 -4.040 -16.460 -7.220 305 2HD ARG 40 2HD ARG 40 -4.266 -17.559 -8.578 306 HE ARG 40 HE ARG 40 -1.724 -17.932 -8.274 307 1HH1 ARG 40 1HH1 ARG 40 -4.004 -17.288 -5.699 308 2HH1 ARG 40 2HH1 ARG 40 -3.162 -18.245 -4.521 309 1HH2 ARG 40 1HH2 ARG 40 -0.581 -19.183 -6.714 310 2HH2 ARG 40 2HH2 ARG 40 -1.201 -19.305 -5.094 311 H TRP 41 H TRP 41 -3.404 -12.840 -11.097 312 HA TRP 41 HA TRP 41 -4.998 -11.004 -9.536 313 1HB TRP 41 1HB TRP 41 -5.962 -12.042 -12.169 314 2HB TRP 41 2HB TRP 41 -6.062 -10.417 -11.510 315 HD1 TRP 41 HD1 TRP 41 -4.324 -12.348 -14.060 316 HE1 TRP 41 HE1 TRP 41 -2.299 -11.080 -15.000 317 HE3 TRP 41 HE3 TRP 41 -3.933 -8.712 -10.493 318 HZ2 TRP 41 HZ2 TRP 41 -0.737 -8.839 -14.313 319 HZ3 TRP 41 HZ3 TRP 41 -2.140 -7.046 -10.716 320 HH2 TRP 41 HH2 TRP 41 -0.578 -7.109 -12.585 321 H LEU 42 H LEU 42 -5.861 -12.249 -7.896 322 HA LEU 42 HA LEU 42 -6.440 -14.989 -8.170 323 1HB LEU 42 1HB LEU 42 -7.778 -13.324 -6.086 324 2HB LEU 42 2HB LEU 42 -7.154 -14.955 -5.965 325 HG LEU 42 HG LEU 42 -5.528 -12.424 -6.058 326 1HD1 LEU 42 1HD1 LEU 42 -6.014 -14.422 -3.872 327 2HD1 LEU 42 2HD1 LEU 42 -6.702 -12.801 -3.971 328 3HD1 LEU 42 3HD1 LEU 42 -4.962 -13.010 -3.780 329 1HD2 LEU 42 1HD2 LEU 42 -3.603 -13.864 -5.626 330 2HD2 LEU 42 2HD2 LEU 42 -4.344 -14.219 -7.187 331 3HD2 LEU 42 3HD2 LEU 42 -4.628 -15.288 -5.812 332 H VAL 43 H VAL 43 -8.756 -12.402 -7.461 333 HA VAL 43 HA VAL 43 -11.006 -13.989 -7.862 334 HB VAL 43 HB VAL 43 -12.136 -11.653 -8.104 335 1HG1 VAL 43 1HG1 VAL 43 -10.653 -12.507 -5.627 336 2HG1 VAL 43 2HG1 VAL 43 -12.241 -13.081 -6.139 337 3HG1 VAL 43 3HG1 VAL 43 -12.021 -11.397 -5.666 338 1HG2 VAL 43 1HG2 VAL 43 -9.408 -10.884 -7.071 339 2HG2 VAL 43 2HG2 VAL 43 -10.830 -9.840 -7.083 340 3HG2 VAL 43 3HG2 VAL 43 -10.114 -10.372 -8.604 341 H ASN 44 H ASN 44 -9.216 -11.930 -10.058 342 HA ASN 44 HA ASN 44 -10.895 -12.142 -12.278 343 1HB ASN 44 1HB ASN 44 -7.897 -11.849 -12.105 344 2HB ASN 44 2HB ASN 44 -8.793 -11.763 -13.619 345 1HD2 ASN 44 1HD2 ASN 44 -8.209 -10.234 -10.546 346 2HD2 ASN 44 2HD2 ASN 44 -8.866 -8.694 -10.971 347 H GLY 45 H GLY 45 -7.985 -14.081 -11.554 348 1HA GLY 45 1HA GLY 45 -8.241 -16.531 -11.624 349 2HA GLY 45 2HA GLY 45 -9.229 -16.304 -13.057 350 H HIS 46 H HIS 46 -6.119 -14.744 -12.284 351 HA HIS 46 HA HIS 46 -4.825 -16.343 -14.382 352 1HB HIS 46 1HB HIS 46 -5.534 -13.569 -14.621 353 2HB HIS 46 2HB HIS 46 -3.792 -13.738 -14.663 354 HD1 HIS 46 HD1 HIS 46 -3.336 -13.363 -17.079 355 HD2 HIS 46 HD2 HIS 46 -6.335 -16.181 -16.452 356 HE1 HIS 46 HE1 HIS 46 -3.843 -14.332 -19.345 357 HE2 HIS 46 HE2 HIS 46 -5.510 -16.167 -18.909 358 H GLU 47 H GLU 47 -2.439 -16.113 -14.353 359 HA GLU 47 HA GLU 47 -1.351 -15.255 -11.759 360 1HB GLU 47 1HB GLU 47 -1.971 -17.682 -11.651 361 2HB GLU 47 2HB GLU 47 -0.819 -17.982 -12.942 362 1HG GLU 47 1HG GLU 47 1.012 -17.403 -11.576 363 2HG GLU 47 2HG GLU 47 -0.039 -16.717 -10.337 364 H THR 48 H THR 48 0.514 -14.176 -11.998 365 HA THR 48 HA THR 48 1.866 -14.263 -14.591 366 HB THR 48 HB THR 48 -0.017 -12.665 -14.702 367 HG1 THR 48 HG1 THR 48 1.482 -12.142 -16.173 368 1HG2 THR 48 1HG2 THR 48 0.191 -10.503 -13.571 369 2HG2 THR 48 2HG2 THR 48 1.613 -11.101 -12.718 370 3HG2 THR 48 3HG2 THR 48 0.034 -11.829 -12.420 371 H THR 49 H THR 49 3.484 -12.399 -14.659 372 HA THR 49 HA THR 49 4.835 -11.848 -12.116 373 HB THR 49 HB THR 49 6.237 -12.769 -14.648 374 HG1 THR 49 HG1 THR 49 5.173 -14.198 -12.703 375 1HG2 THR 49 1HG2 THR 49 7.518 -11.066 -13.439 376 2HG2 THR 49 2HG2 THR 49 8.298 -12.642 -13.316 377 3HG2 THR 49 3HG2 THR 49 7.380 -12.006 -11.952 378 H VAL 50 H VAL 50 4.867 -9.642 -12.017 379 HA VAL 50 HA VAL 50 4.600 -8.170 -14.548 380 HB VAL 50 HB VAL 50 2.344 -9.022 -13.676 381 1HG1 VAL 50 1HG1 VAL 50 2.643 -8.580 -11.328 382 2HG1 VAL 50 2HG1 VAL 50 1.272 -7.656 -11.944 383 3HG1 VAL 50 3HG1 VAL 50 2.815 -6.855 -11.645 384 1HG2 VAL 50 1HG2 VAL 50 2.509 -7.308 -15.387 385 2HG2 VAL 50 2HG2 VAL 50 2.692 -6.068 -14.148 386 3HG2 VAL 50 3HG2 VAL 50 1.177 -6.960 -14.285 387 H TYR 51 H TYR 51 4.143 -5.751 -13.987 388 HA TYR 51 HA TYR 51 5.651 -4.856 -11.637 389 1HB TYR 51 1HB TYR 51 6.168 -3.288 -14.082 390 2HB TYR 51 2HB TYR 51 7.280 -3.786 -12.814 391 HD1 TYR 51 HD1 TYR 51 8.438 -5.963 -12.962 392 HD2 TYR 51 HD2 TYR 51 5.900 -4.585 -16.087 393 HE1 TYR 51 HE1 TYR 51 9.402 -7.642 -14.482 394 HE2 TYR 51 HE2 TYR 51 6.858 -6.256 -17.613 395 HH TYR 51 HH TYR 51 8.970 -7.565 -17.824 396 HA PRO 52 HA PRO 52 1.820 -2.451 -11.617 397 1HB PRO 52 1HB PRO 52 2.428 -1.047 -9.344 398 2HB PRO 52 2HB PRO 52 1.759 -2.684 -9.346 399 1HG PRO 52 1HG PRO 52 4.602 -1.797 -9.025 400 2HG PRO 52 2HG PRO 52 3.715 -3.050 -8.138 401 1HD PRO 52 1HD PRO 52 5.432 -3.664 -10.108 402 2HD PRO 52 2HD PRO 52 3.943 -4.595 -9.845 403 H GLY 53 H GLY 53 4.536 -0.523 -10.312 404 1HA GLY 53 1HA GLY 53 5.066 1.170 -12.391 405 2HA GLY 53 2HA GLY 53 3.604 1.826 -11.664 406 H SER 54 H SER 54 5.024 3.709 -11.251 407 HA SER 54 HA SER 54 7.069 3.303 -9.227 408 1HB SER 54 1HB SER 54 7.475 5.782 -9.631 409 2HB SER 54 2HB SER 54 7.752 4.718 -11.008 410 HG SER 54 HG SER 54 6.212 6.819 -10.937 411 H ASP 55 H ASP 55 4.105 3.144 -8.741 412 HA ASP 55 HA ASP 55 4.128 4.708 -6.275 413 1HB ASP 55 1HB ASP 55 2.847 5.875 -8.262 414 2HB ASP 55 2HB ASP 55 1.596 4.694 -7.890 415 H ALA 56 H ALA 56 4.691 2.209 -6.279 416 HA ALA 56 HA ALA 56 2.488 0.396 -6.392 417 1HB ALA 56 1HB ALA 56 4.080 -1.323 -5.773 418 2HB ALA 56 2HB ALA 56 5.291 -0.095 -5.397 419 3HB ALA 56 3HB ALA 56 4.732 -0.306 -7.057 420 H VAL 57 H VAL 57 1.247 -0.375 -4.779 421 HA VAL 57 HA VAL 57 1.954 0.191 -1.987 422 HB VAL 57 HB VAL 57 0.421 1.991 -2.928 423 1HG1 VAL 57 1HG1 VAL 57 -1.973 1.490 -2.958 424 2HG1 VAL 57 2HG1 VAL 57 -1.595 -0.222 -2.759 425 3HG1 VAL 57 3HG1 VAL 57 -1.083 0.632 -4.216 426 1HG2 VAL 57 1HG2 VAL 57 0.798 1.717 -0.559 427 2HG2 VAL 57 2HG2 VAL 57 -0.463 0.486 -0.488 428 3HG2 VAL 57 3HG2 VAL 57 -0.880 2.156 -0.876 429 H VAL 58 H VAL 58 -0.034 -0.719 -0.704 430 HA VAL 58 HA VAL 58 -0.370 -3.522 -1.558 431 HB VAL 58 HB VAL 58 0.866 -2.660 1.068 432 1HG1 VAL 58 1HG1 VAL 58 -0.570 -4.599 1.385 433 2HG1 VAL 58 2HG1 VAL 58 1.129 -5.042 1.550 434 3HG1 VAL 58 3HG1 VAL 58 0.255 -5.439 0.071 435 1HG2 VAL 58 1HG2 VAL 58 2.062 -4.186 -1.241 436 2HG2 VAL 58 2HG2 VAL 58 2.859 -3.842 0.293 437 3HG2 VAL 58 3HG2 VAL 58 2.429 -2.521 -0.791 438 H VAL 59 H VAL 59 -2.139 -4.555 -0.767 439 HA VAL 59 HA VAL 59 -3.946 -3.183 1.062 440 HB VAL 59 HB VAL 59 -5.667 -4.129 -0.690 441 1HG1 VAL 59 1HG1 VAL 59 -5.795 -1.902 -1.723 442 2HG1 VAL 59 2HG1 VAL 59 -4.216 -1.519 -1.038 443 3HG1 VAL 59 3HG1 VAL 59 -5.593 -1.811 0.025 444 1HG2 VAL 59 1HG2 VAL 59 -4.918 -3.764 -2.989 445 2HG2 VAL 59 2HG2 VAL 59 -4.051 -5.076 -2.192 446 3HG2 VAL 59 3HG2 VAL 59 -3.282 -3.501 -2.385 447 H THR 60 H THR 60 -5.929 -4.707 1.339 448 HA THR 60 HA THR 60 -4.851 -7.422 1.913 449 HB THR 60 HB THR 60 -5.388 -5.834 3.842 450 HG1 THR 60 HG1 THR 60 -5.776 -7.578 5.024 451 1HG2 THR 60 1HG2 THR 60 -7.450 -4.880 2.970 452 2HG2 THR 60 2HG2 THR 60 -7.716 -5.642 4.540 453 3HG2 THR 60 3HG2 THR 60 -8.224 -6.462 3.061 454 H ALA 61 H ALA 61 -7.125 -8.657 2.724 455 HA ALA 61 HA ALA 61 -8.115 -9.726 0.355 456 1HB ALA 61 1HB ALA 61 -8.042 -10.927 2.479 457 2HB ALA 61 2HB ALA 61 -9.643 -10.993 1.742 458 3HB ALA 61 3HB ALA 61 -9.339 -9.907 3.098 459 H THR 62 H THR 62 -9.823 -7.507 2.604 460 HA THR 62 HA THR 62 -12.236 -7.440 1.147 461 HB THR 62 HB THR 62 -12.142 -4.925 2.128 462 HG1 THR 62 HG1 THR 62 -10.656 -6.429 4.034 463 1HG2 THR 62 1HG2 THR 62 -12.751 -7.423 3.706 464 2HG2 THR 62 2HG2 THR 62 -13.844 -6.624 2.577 465 3HG2 THR 62 3HG2 THR 62 -13.349 -5.802 4.056 466 H GLU 63 H GLU 63 -9.539 -5.151 1.088 467 HA GLU 63 HA GLU 63 -10.505 -3.543 -0.993 468 1HB GLU 63 1HB GLU 63 -7.621 -4.138 -0.307 469 2HB GLU 63 2HB GLU 63 -8.243 -2.694 -1.105 470 1HG GLU 63 1HG GLU 63 -9.383 -2.001 0.870 471 2HG GLU 63 2HG GLU 63 -9.041 -3.528 1.673 472 H HIS 64 H HIS 64 -8.973 -6.620 -1.005 473 HA HIS 64 HA HIS 64 -8.046 -6.815 -3.605 474 1HB HIS 64 1HB HIS 64 -7.343 -8.701 -2.733 475 2HB HIS 64 2HB HIS 64 -8.426 -8.506 -1.371 476 HD1 HIS 64 HD1 HIS 64 -10.526 -9.960 -1.317 477 HD2 HIS 64 HD2 HIS 64 -8.196 -10.552 -4.705 478 HE1 HIS 64 HE1 HIS 64 -11.335 -12.113 -2.319 479 HE2 HIS 64 HE2 HIS 64 -9.710 -12.585 -4.178 480 H ALA 65 H ALA 65 -11.398 -7.422 -2.496 481 HA ALA 65 HA ALA 65 -12.061 -9.136 -4.593 482 1HB ALA 65 1HB ALA 65 -13.334 -8.986 -2.517 483 2HB ALA 65 2HB ALA 65 -14.380 -8.740 -3.915 484 3HB ALA 65 3HB ALA 65 -13.863 -7.360 -2.948 485 H GLU 66 H GLU 66 -13.490 -5.990 -4.151 486 HA GLU 66 HA GLU 66 -14.433 -5.680 -6.764 487 1HB GLU 66 1HB GLU 66 -14.484 -3.185 -6.037 488 2HB GLU 66 2HB GLU 66 -15.486 -4.355 -5.190 489 1HG GLU 66 1HG GLU 66 -14.478 -3.937 -3.244 490 2HG GLU 66 2HG GLU 66 -12.873 -4.128 -3.953 491 H ALA 67 H ALA 67 -11.704 -4.048 -5.232 492 HA ALA 67 HA ALA 67 -10.877 -2.569 -7.416 493 1HB ALA 67 1HB ALA 67 -9.182 -3.558 -5.134 494 2HB ALA 67 2HB ALA 67 -10.184 -2.107 -5.124 495 3HB ALA 67 3HB ALA 67 -8.803 -2.217 -6.213 496 H GLU 68 H GLU 68 -9.994 -5.891 -6.516 497 HA GLU 68 HA GLU 68 -7.830 -5.964 -8.376 498 1HB GLU 68 1HB GLU 68 -7.989 -7.476 -6.414 499 2HB GLU 68 2HB GLU 68 -9.309 -8.315 -7.217 500 1HG GLU 68 1HG GLU 68 -7.920 -9.197 -8.854 501 2HG GLU 68 2HG GLU 68 -6.640 -8.022 -8.533 502 H LYS 69 H LYS 69 -11.231 -6.995 -8.528 503 HA LYS 69 HA LYS 69 -11.121 -8.273 -10.987 504 1HB LYS 69 1HB LYS 69 -13.323 -6.476 -9.949 505 2HB LYS 69 2HB LYS 69 -13.481 -7.580 -11.308 506 1HG LYS 69 1HG LYS 69 -12.877 -9.439 -9.718 507 2HG LYS 69 2HG LYS 69 -13.061 -8.264 -8.413 508 1HD LYS 69 1HD LYS 69 -15.118 -9.474 -8.637 509 2HD LYS 69 2HD LYS 69 -15.378 -7.828 -9.224 510 1HE LYS 69 1HE LYS 69 -16.423 -9.378 -10.745 511 2HE LYS 69 2HE LYS 69 -15.026 -8.648 -11.538 512 1HZ LYS 69 1HZ LYS 69 -14.729 -10.849 -12.045 513 2HZ LYS 69 2HZ LYS 69 -15.402 -11.405 -10.591 514 3HZ LYS 69 3HZ LYS 69 -13.837 -10.760 -10.607 515 H ARG 70 H ARG 70 -11.826 -4.810 -10.414 516 HA ARG 70 HA ARG 70 -11.730 -4.216 -13.222 517 1HB ARG 70 1HB ARG 70 -11.647 -1.794 -12.368 518 2HB ARG 70 2HB ARG 70 -13.062 -2.757 -11.964 519 1HG ARG 70 1HG ARG 70 -12.063 -3.206 -9.740 520 2HG ARG 70 2HG ARG 70 -10.738 -2.118 -10.156 521 1HD ARG 70 1HD ARG 70 -12.253 -0.259 -10.341 522 2HD ARG 70 2HD ARG 70 -13.645 -1.320 -10.125 523 HE ARG 70 HE ARG 70 -12.005 -1.619 -7.894 524 1HH1 ARG 70 1HH1 ARG 70 -14.008 0.852 -9.370 525 2HH1 ARG 70 2HH1 ARG 70 -14.319 1.670 -7.864 526 1HH2 ARG 70 1HH2 ARG 70 -12.464 -0.573 -5.902 527 2HH2 ARG 70 2HH2 ARG 70 -13.438 0.866 -5.911 528 H ALA 71 H ALA 71 -9.447 -3.582 -10.591 529 HA ALA 71 HA ALA 71 -7.679 -2.084 -12.221 530 1HB ALA 71 1HB ALA 71 -7.230 -3.283 -9.499 531 2HB ALA 71 2HB ALA 71 -7.917 -1.692 -9.831 532 3HB ALA 71 3HB ALA 71 -6.243 -2.040 -10.266 533 H ALA 72 H ALA 72 -7.801 -5.500 -11.302 534 HA ALA 72 HA ALA 72 -5.149 -6.027 -12.291 535 1HB ALA 72 1HB ALA 72 -5.699 -8.380 -12.062 536 2HB ALA 72 2HB ALA 72 -7.390 -7.970 -11.767 537 3HB ALA 72 3HB ALA 72 -6.149 -7.489 -10.609 538 H ALA 73 H ALA 73 -8.456 -6.228 -13.547 539 HA ALA 73 HA ALA 73 -7.974 -7.361 -16.014 540 1HB ALA 73 1HB ALA 73 -9.767 -4.998 -15.451 541 2HB ALA 73 2HB ALA 73 -10.204 -6.697 -15.255 542 3HB ALA 73 3HB ALA 73 -9.854 -6.054 -16.861 543 H ARG 74 H ARG 74 -7.359 -4.008 -14.974 544 HA ARG 74 HA ARG 74 -6.139 -3.395 -17.532 545 1HB ARG 74 1HB ARG 74 -6.563 -1.887 -15.011 546 2HB ARG 74 2HB ARG 74 -5.315 -1.323 -16.118 547 1HG ARG 74 1HG ARG 74 -7.016 -1.315 -17.930 548 2HG ARG 74 2HG ARG 74 -8.239 -1.710 -16.723 549 1HD ARG 74 1HD ARG 74 -6.457 0.700 -16.516 550 2HD ARG 74 2HD ARG 74 -8.013 0.732 -17.342 551 HE ARG 74 HE ARG 74 -7.597 0.254 -14.461 552 1HH1 ARG 74 1HH1 ARG 74 -9.672 1.121 -17.159 553 2HH1 ARG 74 2HH1 ARG 74 -11.006 1.594 -16.146 554 1HH2 ARG 74 1HH2 ARG 74 -9.315 0.885 -13.135 555 2HH2 ARG 74 2HH2 ARG 74 -10.801 1.458 -13.847 556 H ALA 75 H ALA 75 -4.814 -4.000 -14.273 557 HA ALA 75 HA ALA 75 -2.150 -3.379 -14.565 558 1HB ALA 75 1HB ALA 75 -3.236 -5.806 -13.144 559 2HB ALA 75 2HB ALA 75 -3.179 -4.168 -12.491 560 3HB ALA 75 3HB ALA 75 -1.682 -5.025 -12.858 561 H GLY 76 H GLY 76 -3.638 -6.515 -15.415 562 1HA GLY 76 1HA GLY 76 -1.278 -7.058 -17.105 563 2HA GLY 76 2HA GLY 76 -1.759 -8.238 -15.894 564 H HIS 77 H HIS 77 -3.504 -6.262 -18.264 565 HA HIS 77 HA HIS 77 -5.560 -8.099 -18.698 566 1HB HIS 77 1HB HIS 77 -5.517 -5.631 -19.299 567 2HB HIS 77 2HB HIS 77 -4.588 -6.081 -20.724 568 HD1 HIS 77 HD1 HIS 77 -6.422 -5.330 -22.350 569 HD2 HIS 77 HD2 HIS 77 -7.664 -8.238 -19.646 570 HE1 HIS 77 HE1 HIS 77 -8.658 -6.132 -23.187 571 HE2 HIS 77 HE2 HIS 77 -9.487 -7.707 -21.398 572 H ALA 78 H ALA 78 -2.638 -7.462 -20.619 573 HA ALA 78 HA ALA 78 -2.937 -10.151 -21.780 574 1HB ALA 78 1HB ALA 78 -3.607 -8.519 -23.462 575 2HB ALA 78 2HB ALA 78 -2.096 -9.304 -23.921 576 3HB ALA 78 3HB ALA 78 -2.077 -7.668 -23.265 577 H ALA 79 H ALA 79 -0.730 -7.429 -21.267 578 HA ALA 79 HA ALA 79 1.446 -7.267 -20.690 579 1HB ALA 79 1HB ALA 79 2.520 -9.045 -19.437 580 2HB ALA 79 2HB ALA 79 1.238 -10.168 -19.893 581 3HB ALA 79 3HB ALA 79 0.875 -8.787 -18.857 582 H THR 80 H THR 80 3.211 -7.167 -21.881 583 HA THR 80 HA THR 80 4.572 -7.358 -23.666 584 HB THR 80 HB THR 80 5.414 -9.707 -24.163 585 HG1 THR 80 HG1 THR 80 3.265 -10.466 -22.977 586 1HG2 THR 80 1HG2 THR 80 6.648 -9.846 -22.050 587 2HG2 THR 80 2HG2 THR 80 5.513 -8.715 -21.313 588 3HG2 THR 80 3HG2 THR 80 6.554 -8.184 -22.633 Start of MODEL 7 1 H MET 1 H MET 1 7.795 2.101 1.375 2 HA MET 1 HA MET 1 5.653 1.239 1.806 3 1HB MET 1 1HB MET 1 4.331 0.132 0.090 4 2HB MET 1 2HB MET 1 4.664 1.789 -0.381 5 1HG MET 1 1HG MET 1 4.967 0.630 -2.343 6 2HG MET 1 2HG MET 1 6.615 0.775 -1.731 7 1HE MET 1 1HE MET 1 7.324 -1.176 -3.447 8 2HE MET 1 2HE MET 1 5.651 -1.297 -3.990 9 3HE MET 1 3HE MET 1 6.529 -2.749 -3.504 10 H HIS 2 H HIS 2 5.064 -1.165 1.737 11 HA HIS 2 HA HIS 2 7.387 -2.892 1.347 12 1HB HIS 2 1HB HIS 2 5.950 -2.480 3.971 13 2HB HIS 2 2HB HIS 2 6.808 -3.976 3.615 14 HD1 HIS 2 HD1 HIS 2 9.294 -3.987 3.981 15 HD2 HIS 2 HD2 HIS 2 7.689 -0.150 4.018 16 HE1 HIS 2 HE1 HIS 2 11.178 -2.471 4.651 17 HE2 HIS 2 HE2 HIS 2 10.237 -0.141 4.462 18 H ALA 3 H ALA 3 6.822 -5.085 0.935 19 HA ALA 3 HA ALA 3 3.970 -5.478 0.387 20 1HB ALA 3 1HB ALA 3 6.144 -5.744 -1.682 21 2HB ALA 3 2HB ALA 3 4.948 -4.451 -1.605 22 3HB ALA 3 3HB ALA 3 4.435 -6.109 -1.919 23 H LYS 4 H LYS 4 3.333 -7.599 0.111 24 HA LYS 4 HA LYS 4 5.078 -9.558 1.413 25 1HB LYS 4 1HB LYS 4 2.395 -8.680 2.501 26 2HB LYS 4 2HB LYS 4 3.493 -9.846 3.226 27 1HG LYS 4 1HG LYS 4 4.442 -7.061 2.768 28 2HG LYS 4 2HG LYS 4 3.353 -7.392 4.116 29 1HD LYS 4 1HD LYS 4 5.941 -8.860 3.623 30 2HD LYS 4 2HD LYS 4 5.771 -7.480 4.712 31 1HE LYS 4 1HE LYS 4 4.412 -10.161 4.932 32 2HE LYS 4 2HE LYS 4 5.633 -9.490 6.012 33 1HZ LYS 4 1HZ LYS 4 4.056 -7.729 6.607 34 2HZ LYS 4 2HZ LYS 4 3.446 -9.269 6.978 35 3HZ LYS 4 3HZ LYS 4 2.879 -8.440 5.613 36 H VAL 5 H VAL 5 4.514 -11.682 0.891 37 HA VAL 5 HA VAL 5 2.598 -12.220 -1.104 38 HB VAL 5 HB VAL 5 4.361 -13.814 -0.735 39 1HG1 VAL 5 1HG1 VAL 5 4.574 -15.116 1.330 40 2HG1 VAL 5 2HG1 VAL 5 3.251 -14.189 2.043 41 3HG1 VAL 5 3HG1 VAL 5 4.766 -13.387 1.624 42 1HG2 VAL 5 1HG2 VAL 5 2.270 -14.787 -1.517 43 2HG2 VAL 5 2HG2 VAL 5 1.746 -15.033 0.149 44 3HG2 VAL 5 3HG2 VAL 5 3.133 -15.923 -0.481 45 H GLY 6 H GLY 6 0.465 -12.882 -1.036 46 1HA GLY 6 1HA GLY 6 -1.656 -13.310 -0.110 47 2HA GLY 6 2HA GLY 6 -0.947 -13.219 1.504 48 H ASP 7 H ASP 7 -0.083 -10.864 -0.701 49 HA ASP 7 HA ASP 7 -1.807 -8.770 0.546 50 1HB ASP 7 1HB ASP 7 0.582 -9.228 1.710 51 2HB ASP 7 2HB ASP 7 1.123 -8.176 0.408 52 H TYR 8 H TYR 8 -1.615 -6.681 -0.827 53 HA TYR 8 HA TYR 8 -1.863 -7.799 -3.581 54 1HB TYR 8 1HB TYR 8 -3.942 -6.380 -1.863 55 2HB TYR 8 2HB TYR 8 -4.129 -6.686 -3.572 56 HD1 TYR 8 HD1 TYR 8 -5.118 -8.584 -4.329 57 HD2 TYR 8 HD2 TYR 8 -3.942 -8.372 -0.255 58 HE1 TYR 8 HE1 TYR 8 -6.417 -10.603 -3.876 59 HE2 TYR 8 HE2 TYR 8 -5.247 -10.418 0.207 60 HH TYR 8 HH TYR 8 -6.309 -12.480 -2.096 61 H LEU 9 H LEU 9 -2.076 -5.953 -5.152 62 HA LEU 9 HA LEU 9 -0.594 -3.709 -3.964 63 1HB LEU 9 1HB LEU 9 1.026 -5.437 -4.410 64 2HB LEU 9 2HB LEU 9 0.367 -5.722 -6.003 65 HG LEU 9 HG LEU 9 1.698 -3.111 -5.294 66 1HD1 LEU 9 1HD1 LEU 9 3.746 -4.025 -6.257 67 2HD1 LEU 9 2HD1 LEU 9 2.976 -5.606 -6.402 68 3HD1 LEU 9 3HD1 LEU 9 3.268 -4.909 -4.807 69 1HD2 LEU 9 1HD2 LEU 9 2.085 -2.999 -7.706 70 2HD2 LEU 9 2HD2 LEU 9 0.363 -3.159 -7.357 71 3HD2 LEU 9 3HD2 LEU 9 1.283 -4.557 -7.916 72 H VAL 10 H VAL 10 -0.327 -1.973 -5.248 73 HA VAL 10 HA VAL 10 -2.589 -1.489 -7.041 74 HB VAL 10 HB VAL 10 -2.175 0.042 -4.471 75 1HG1 VAL 10 1HG1 VAL 10 -4.532 -0.107 -6.339 76 2HG1 VAL 10 2HG1 VAL 10 -3.365 1.211 -6.238 77 3HG1 VAL 10 3HG1 VAL 10 -4.427 0.867 -4.872 78 1HG2 VAL 10 1HG2 VAL 10 -4.094 -2.234 -4.925 79 2HG2 VAL 10 2HG2 VAL 10 -4.077 -1.174 -3.515 80 3HG2 VAL 10 3HG2 VAL 10 -2.703 -2.232 -3.842 81 H VAL 11 H VAL 11 -2.327 0.440 -8.244 82 HA VAL 11 HA VAL 11 0.208 1.870 -7.820 83 HB VAL 11 HB VAL 11 -0.661 0.737 -10.493 84 1HG1 VAL 11 1HG1 VAL 11 1.514 1.497 -11.301 85 2HG1 VAL 11 2HG1 VAL 11 1.856 2.201 -9.718 86 3HG1 VAL 11 3HG1 VAL 11 0.538 2.841 -10.703 87 1HG2 VAL 11 1HG2 VAL 11 1.593 -0.145 -8.696 88 2HG2 VAL 11 2HG2 VAL 11 1.286 -0.741 -10.328 89 3HG2 VAL 11 3HG2 VAL 11 0.118 -1.049 -9.042 90 H LYS 12 H LYS 12 0.211 3.931 -8.490 91 HA LYS 12 HA LYS 12 -2.404 5.136 -8.545 92 1HB LYS 12 1HB LYS 12 -0.660 5.923 -7.010 93 2HB LYS 12 2HB LYS 12 0.365 6.335 -8.373 94 1HG LYS 12 1HG LYS 12 -1.278 8.018 -9.078 95 2HG LYS 12 2HG LYS 12 -2.261 7.622 -7.664 96 1HD LYS 12 1HD LYS 12 -0.490 8.323 -6.181 97 2HD LYS 12 2HD LYS 12 0.601 8.576 -7.544 98 1HE LYS 12 1HE LYS 12 -0.843 10.353 -8.378 99 2HE LYS 12 2HE LYS 12 -1.955 10.088 -7.035 100 1HZ LYS 12 1HZ LYS 12 -0.485 11.956 -6.612 101 2HZ LYS 12 2HZ LYS 12 0.878 10.962 -6.790 102 3HZ LYS 12 3HZ LYS 12 -0.195 10.706 -5.500 103 H GLY 13 H GLY 13 -3.179 4.758 -10.613 104 1HA GLY 13 1HA GLY 13 -1.879 5.376 -13.015 105 2HA GLY 13 2HA GLY 13 -3.624 5.352 -12.782 106 H THR 14 H THR 14 -4.017 7.356 -11.001 107 HA THR 14 HA THR 14 -4.106 9.595 -10.637 108 HB THR 14 HB THR 14 -1.755 9.930 -12.510 109 HG1 THR 14 HG1 THR 14 -0.900 8.663 -10.966 110 1HG2 THR 14 1HG2 THR 14 -2.799 11.619 -10.232 111 2HG2 THR 14 2HG2 THR 14 -2.942 11.996 -11.951 112 3HG2 THR 14 3HG2 THR 14 -1.352 11.958 -11.185 113 H THR 15 H THR 15 -2.973 9.407 -14.019 114 HA THR 15 HA THR 15 -4.948 11.226 -14.938 115 HB THR 15 HB THR 15 -4.167 10.025 -17.219 116 HG1 THR 15 HG1 THR 15 -2.875 8.446 -16.233 117 1HG2 THR 15 1HG2 THR 15 -2.395 11.711 -17.347 118 2HG2 THR 15 2HG2 THR 15 -2.506 11.966 -15.608 119 3HG2 THR 15 3HG2 THR 15 -3.865 12.384 -16.649 120 H THR 16 H THR 16 -4.783 7.764 -14.603 121 HA THR 16 HA THR 16 -7.480 7.563 -15.735 122 HB THR 16 HB THR 16 -7.078 5.068 -15.638 123 HG1 THR 16 HG1 THR 16 -5.343 4.951 -14.233 124 1HG2 THR 16 1HG2 THR 16 -5.692 5.041 -17.671 125 2HG2 THR 16 2HG2 THR 16 -5.245 6.721 -17.378 126 3HG2 THR 16 3HG2 THR 16 -6.920 6.306 -17.732 127 H GLU 17 H GLU 17 -8.318 8.575 -13.828 128 HA GLU 17 HA GLU 17 -9.588 8.481 -11.975 129 1HB GLU 17 1HB GLU 17 -9.227 5.486 -12.172 130 2HB GLU 17 2HB GLU 17 -10.476 6.328 -11.262 131 1HG GLU 17 1HG GLU 17 -11.231 7.324 -13.447 132 2HG GLU 17 2HG GLU 17 -10.136 6.200 -14.243 133 H ARG 18 H ARG 18 -9.307 6.306 -9.930 134 HA ARG 18 HA ARG 18 -7.610 7.853 -8.215 135 1HB ARG 18 1HB ARG 18 -9.039 5.237 -7.717 136 2HB ARG 18 2HB ARG 18 -8.344 6.278 -6.484 137 1HG ARG 18 1HG ARG 18 -9.959 7.986 -6.927 138 2HG ARG 18 2HG ARG 18 -10.567 7.103 -8.331 139 1HD ARG 18 1HD ARG 18 -12.039 6.816 -6.405 140 2HD ARG 18 2HD ARG 18 -11.307 5.286 -6.886 141 HE ARG 18 HE ARG 18 -10.061 6.814 -4.717 142 1HH1 ARG 18 1HH1 ARG 18 -11.875 4.004 -5.768 143 2HH1 ARG 18 2HH1 ARG 18 -11.685 3.159 -4.262 144 1HH2 ARG 18 1HH2 ARG 18 -9.790 5.678 -2.735 145 2HH2 ARG 18 2HH2 ARG 18 -10.508 4.102 -2.557 146 H HIS 19 H HIS 19 -6.725 5.796 -6.488 147 HA HIS 19 HA HIS 19 -4.388 4.774 -7.884 148 1HB HIS 19 1HB HIS 19 -5.259 4.261 -5.019 149 2HB HIS 19 2HB HIS 19 -3.674 3.943 -5.707 150 HD1 HIS 19 HD1 HIS 19 -3.079 5.477 -3.485 151 HD2 HIS 19 HD2 HIS 19 -4.750 7.404 -6.769 152 HE1 HIS 19 HE1 HIS 19 -2.599 7.921 -3.161 153 HE2 HIS 19 HE2 HIS 19 -3.875 9.071 -5.004 154 H ASP 20 H ASP 20 -4.800 3.054 -9.160 155 HA ASP 20 HA ASP 20 -6.821 1.134 -8.203 156 1HB ASP 20 1HB ASP 20 -7.571 2.721 -10.075 157 2HB ASP 20 2HB ASP 20 -6.434 1.866 -11.111 158 H GLN 21 H GLN 21 -6.468 -0.571 -10.506 159 HA GLN 21 HA GLN 21 -5.218 -2.343 -11.179 160 1HB GLN 21 1HB GLN 21 -2.813 -0.713 -10.329 161 2HB GLN 21 2HB GLN 21 -2.820 -2.073 -11.442 162 1HG GLN 21 1HG GLN 21 -4.049 -0.801 -13.069 163 2HG GLN 21 2HG GLN 21 -4.233 0.537 -11.936 164 1HE2 GLN 21 1HE2 GLN 21 -2.034 -1.176 -14.019 165 2HE2 GLN 21 2HE2 GLN 21 -0.794 0.025 -14.028 166 H HIS 22 H HIS 22 -5.726 -4.052 -9.632 167 HA HIS 22 HA HIS 22 -3.449 -4.317 -7.772 168 1HB HIS 22 1HB HIS 22 -6.180 -5.325 -6.982 169 2HB HIS 22 2HB HIS 22 -4.764 -5.149 -5.974 170 HD1 HIS 22 HD1 HIS 22 -6.255 -3.945 -4.240 171 HD2 HIS 22 HD2 HIS 22 -5.964 -1.946 -7.858 172 HE1 HIS 22 HE1 HIS 22 -7.248 -1.672 -3.838 173 HE2 HIS 22 HE2 HIS 22 -7.269 -0.574 -6.108 174 H ALA 23 H ALA 23 -2.611 -6.068 -7.757 175 HA ALA 23 HA ALA 23 -3.746 -8.663 -8.448 176 1HB ALA 23 1HB ALA 23 -2.758 -7.878 -10.567 177 2HB ALA 23 2HB ALA 23 -1.920 -9.279 -9.900 178 3HB ALA 23 3HB ALA 23 -1.200 -7.674 -9.766 179 H GLU 24 H GLU 24 -2.504 -10.389 -7.256 180 HA GLU 24 HA GLU 24 -0.968 -9.044 -5.117 181 1HB GLU 24 1HB GLU 24 -3.201 -9.240 -4.263 182 2HB GLU 24 2HB GLU 24 -3.340 -10.889 -4.846 183 1HG GLU 24 1HG GLU 24 -1.118 -10.545 -3.004 184 2HG GLU 24 2HG GLU 24 -2.661 -10.090 -2.294 185 H ILE 25 H ILE 25 0.343 -10.223 -4.005 186 HA ILE 25 HA ILE 25 1.586 -12.067 -5.841 187 HB ILE 25 HB ILE 25 3.663 -11.482 -4.527 188 1HG1 ILE 25 1HG1 ILE 25 1.741 -9.485 -3.320 189 2HG1 ILE 25 2HG1 ILE 25 2.703 -10.687 -2.467 190 1HG2 ILE 25 1HG2 ILE 25 2.164 -9.261 -5.904 191 2HG2 ILE 25 2HG2 ILE 25 3.142 -10.501 -6.689 192 3HG2 ILE 25 3HG2 ILE 25 3.906 -9.311 -5.634 193 1HD1 ILE 25 1HD1 ILE 25 3.770 -8.286 -3.938 194 2HD1 ILE 25 2HD1 ILE 25 4.742 -9.489 -3.092 195 3HD1 ILE 25 3HD1 ILE 25 3.630 -8.462 -2.188 196 H ILE 26 H ILE 26 1.797 -13.992 -5.502 197 HA ILE 26 HA ILE 26 1.773 -15.146 -2.825 198 HB ILE 26 HB ILE 26 1.817 -17.324 -4.280 199 1HG1 ILE 26 1HG1 ILE 26 0.495 -16.979 -6.410 200 2HG1 ILE 26 2HG1 ILE 26 0.803 -15.258 -6.253 201 1HG2 ILE 26 1HG2 ILE 26 0.004 -16.661 -2.831 202 2HG2 ILE 26 2HG2 ILE 26 -0.641 -17.273 -4.355 203 3HG2 ILE 26 3HG2 ILE 26 -0.595 -15.537 -4.051 204 1HD1 ILE 26 1HD1 ILE 26 3.198 -15.665 -6.468 205 2HD1 ILE 26 2HD1 ILE 26 2.303 -16.293 -7.852 206 3HD1 ILE 26 3HD1 ILE 26 2.889 -17.397 -6.609 207 H GLU 27 H GLU 27 3.788 -13.964 -5.168 208 HA GLU 27 HA GLU 27 6.083 -15.128 -3.790 209 1HB GLU 27 1HB GLU 27 5.759 -14.958 -6.787 210 2HB GLU 27 2HB GLU 27 7.325 -15.115 -6.007 211 1HG GLU 27 1HG GLU 27 6.405 -17.212 -4.915 212 2HG GLU 27 2HG GLU 27 5.066 -17.084 -6.054 213 H VAL 28 H VAL 28 7.744 -13.737 -3.475 214 HA VAL 28 HA VAL 28 7.451 -10.989 -4.457 215 HB VAL 28 HB VAL 28 8.088 -11.586 -1.569 216 1HG1 VAL 28 1HG1 VAL 28 8.814 -9.430 -2.390 217 2HG1 VAL 28 2HG1 VAL 28 7.488 -9.232 -1.242 218 3HG1 VAL 28 3HG1 VAL 28 7.186 -9.079 -2.974 219 1HG2 VAL 28 1HG2 VAL 28 5.796 -10.988 -0.974 220 2HG2 VAL 28 2HG2 VAL 28 5.843 -12.441 -1.971 221 3HG2 VAL 28 3HG2 VAL 28 5.373 -10.898 -2.682 222 H ARG 29 H ARG 29 9.501 -9.994 -4.726 223 HA ARG 29 HA ARG 29 11.799 -11.731 -4.108 224 1HB ARG 29 1HB ARG 29 10.926 -11.659 -6.555 225 2HB ARG 29 2HB ARG 29 11.672 -10.067 -6.605 226 1HG ARG 29 1HG ARG 29 13.792 -10.900 -6.538 227 2HG ARG 29 2HG ARG 29 13.316 -12.337 -5.628 228 1HD ARG 29 1HD ARG 29 12.707 -11.818 -8.536 229 2HD ARG 29 2HD ARG 29 13.970 -12.888 -7.927 230 HE ARG 29 HE ARG 29 11.809 -13.915 -6.740 231 1HH1 ARG 29 1HH1 ARG 29 12.377 -12.981 -10.073 232 2HH1 ARG 29 2HH1 ARG 29 11.240 -14.124 -10.723 233 1HH2 ARG 29 1HH2 ARG 29 10.319 -15.420 -7.578 234 2HH2 ARG 29 2HH2 ARG 29 10.061 -15.520 -9.297 235 H SER 30 H SER 30 10.622 -9.355 -2.814 236 HA SER 30 HA SER 30 13.022 -8.087 -2.083 237 1HB SER 30 1HB SER 30 12.774 -6.938 -4.247 238 2HB SER 30 2HB SER 30 11.154 -6.414 -3.790 239 HG SER 30 HG SER 30 13.641 -5.492 -2.947 240 H ALA 31 H ALA 31 12.705 -7.647 -0.010 241 HA ALA 31 HA ALA 31 10.026 -7.212 1.029 242 1HB ALA 31 1HB ALA 31 12.698 -7.176 2.443 243 2HB ALA 31 2HB ALA 31 11.624 -8.568 2.306 244 3HB ALA 31 3HB ALA 31 11.114 -7.149 3.219 245 H ASP 32 H ASP 32 12.614 -5.412 -0.174 246 HA ASP 32 HA ASP 32 12.215 -2.958 1.220 247 1HB ASP 32 1HB ASP 32 13.485 -3.480 -1.479 248 2HB ASP 32 2HB ASP 32 13.611 -1.982 -0.567 249 H GLY 33 H GLY 33 11.217 -4.238 -1.912 250 1HA GLY 33 1HA GLY 33 8.879 -3.669 -2.561 251 2HA GLY 33 2HA GLY 33 9.294 -2.010 -2.142 252 H SER 34 H SER 34 11.278 -4.362 -3.855 253 HA SER 34 HA SER 34 11.190 -2.624 -6.229 254 1HB SER 34 1HB SER 34 13.480 -4.357 -5.246 255 2HB SER 34 2HB SER 34 13.493 -3.359 -6.701 256 HG SER 34 HG SER 34 13.231 -1.522 -5.372 257 HA PRO 35 HA PRO 35 9.757 -6.146 -8.511 258 1HB PRO 35 1HB PRO 35 10.635 -5.532 -10.994 259 2HB PRO 35 2HB PRO 35 9.316 -4.651 -10.213 260 1HG PRO 35 1HG PRO 35 12.206 -3.909 -10.459 261 2HG PRO 35 2HG PRO 35 10.768 -2.895 -10.682 262 1HD PRO 35 1HD PRO 35 12.235 -2.885 -8.398 263 2HD PRO 35 2HD PRO 35 10.488 -2.576 -8.422 264 HA PRO 36 HA PRO 36 9.735 -7.301 -10.723 265 1HB PRO 36 1HB PRO 36 9.936 -10.198 -10.788 266 2HB PRO 36 2HB PRO 36 9.990 -9.054 -12.131 267 1HG PRO 36 1HG PRO 36 12.148 -10.495 -11.342 268 2HG PRO 36 2HG PRO 36 12.278 -8.881 -12.064 269 1HD PRO 36 1HD PRO 36 12.375 -9.673 -9.171 270 2HD PRO 36 2HD PRO 36 13.420 -8.543 -10.063 271 H TYR 37 H TYR 37 7.766 -8.804 -10.496 272 HA TYR 37 HA TYR 37 7.302 -9.537 -7.690 273 1HB TYR 37 1HB TYR 37 5.920 -7.408 -9.272 274 2HB TYR 37 2HB TYR 37 4.961 -8.379 -8.159 275 HD1 TYR 37 HD1 TYR 37 5.497 -8.366 -5.740 276 HD2 TYR 37 HD2 TYR 37 7.395 -5.710 -8.467 277 HE1 TYR 37 HE1 TYR 37 6.201 -6.950 -3.861 278 HE2 TYR 37 HE2 TYR 37 8.105 -4.286 -6.589 279 HH TYR 37 HH TYR 37 7.917 -5.309 -3.343 280 H VAL 38 H VAL 38 5.713 -11.271 -7.455 281 HA VAL 38 HA VAL 38 4.721 -12.152 -10.084 282 HB VAL 38 HB VAL 38 6.130 -13.989 -8.123 283 1HG1 VAL 38 1HG1 VAL 38 4.820 -14.592 -10.782 284 2HG1 VAL 38 2HG1 VAL 38 4.213 -15.072 -9.197 285 3HG1 VAL 38 3HG1 VAL 38 5.730 -15.741 -9.800 286 1HG2 VAL 38 1HG2 VAL 38 6.883 -13.171 -10.925 287 2HG2 VAL 38 2HG2 VAL 38 7.753 -14.320 -9.909 288 3HG2 VAL 38 3HG2 VAL 38 7.670 -12.619 -9.447 289 H VAL 39 H VAL 39 2.974 -13.694 -9.887 290 HA VAL 39 HA VAL 39 1.367 -12.027 -8.144 291 HB VAL 39 HB VAL 39 1.540 -11.618 -11.135 292 1HG1 VAL 39 1HG1 VAL 39 -0.028 -10.146 -9.031 293 2HG1 VAL 39 2HG1 VAL 39 -0.689 -11.231 -10.252 294 3HG1 VAL 39 3HG1 VAL 39 0.069 -9.716 -10.738 295 1HG2 VAL 39 1HG2 VAL 39 2.479 -9.840 -8.883 296 2HG2 VAL 39 2HG2 VAL 39 2.475 -9.416 -10.597 297 3HG2 VAL 39 3HG2 VAL 39 3.511 -10.719 -10.012 298 H ARG 40 H ARG 40 -0.673 -12.618 -7.952 299 HA ARG 40 HA ARG 40 -1.768 -14.168 -10.173 300 1HB ARG 40 1HB ARG 40 -1.277 -15.802 -8.430 301 2HB ARG 40 2HB ARG 40 -2.057 -14.798 -7.220 302 1HG ARG 40 1HG ARG 40 -4.207 -15.221 -8.142 303 2HG ARG 40 2HG ARG 40 -3.507 -16.004 -9.561 304 1HD ARG 40 1HD ARG 40 -4.362 -17.667 -8.020 305 2HD ARG 40 2HD ARG 40 -2.605 -17.775 -8.125 306 HE ARG 40 HE ARG 40 -3.615 -16.172 -5.936 307 1HH1 ARG 40 1HH1 ARG 40 -2.466 -19.293 -7.017 308 2HH1 ARG 40 2HH1 ARG 40 -2.172 -19.883 -5.410 309 1HH2 ARG 40 1HH2 ARG 40 -3.230 -16.941 -3.815 310 2HH2 ARG 40 2HH2 ARG 40 -2.604 -18.554 -3.594 311 H TRP 41 H TRP 41 -3.788 -13.589 -10.661 312 HA TRP 41 HA TRP 41 -4.714 -11.084 -9.441 313 1HB TRP 41 1HB TRP 41 -5.462 -12.364 -12.097 314 2HB TRP 41 2HB TRP 41 -5.970 -10.773 -11.541 315 HD1 TRP 41 HD1 TRP 41 -2.354 -11.687 -10.931 316 HE1 TRP 41 HE1 TRP 41 -0.848 -10.314 -12.491 317 HE3 TRP 41 HE3 TRP 41 -5.938 -9.696 -13.944 318 HZ2 TRP 41 HZ2 TRP 41 -1.132 -8.618 -14.714 319 HZ3 TRP 41 HZ3 TRP 41 -5.230 -8.203 -15.740 320 HH2 TRP 41 HH2 TRP 41 -2.894 -7.676 -16.142 321 H LEU 42 H LEU 42 -5.572 -12.183 -7.650 322 HA LEU 42 HA LEU 42 -6.275 -14.892 -8.065 323 1HB LEU 42 1HB LEU 42 -7.326 -13.781 -5.600 324 2HB LEU 42 2HB LEU 42 -6.151 -15.055 -5.853 325 HG LEU 42 HG LEU 42 -5.402 -12.139 -6.111 326 1HD1 LEU 42 1HD1 LEU 42 -5.356 -13.904 -3.670 327 2HD1 LEU 42 2HD1 LEU 42 -6.377 -12.487 -3.923 328 3HD1 LEU 42 3HD1 LEU 42 -4.625 -12.304 -3.801 329 1HD2 LEU 42 1HD2 LEU 42 -3.795 -14.611 -5.478 330 2HD2 LEU 42 2HD2 LEU 42 -3.181 -12.966 -5.634 331 3HD2 LEU 42 3HD2 LEU 42 -3.852 -13.793 -7.040 332 H VAL 43 H VAL 43 -8.383 -12.072 -7.418 333 HA VAL 43 HA VAL 43 -10.764 -13.563 -7.410 334 HB VAL 43 HB VAL 43 -11.668 -11.214 -8.314 335 1HG1 VAL 43 1HG1 VAL 43 -12.139 -12.229 -6.120 336 2HG1 VAL 43 2HG1 VAL 43 -11.796 -10.505 -5.969 337 3HG1 VAL 43 3HG1 VAL 43 -10.562 -11.693 -5.543 338 1HG2 VAL 43 1HG2 VAL 43 -9.447 -10.310 -8.780 339 2HG2 VAL 43 2HG2 VAL 43 -8.975 -10.606 -7.107 340 3HG2 VAL 43 3HG2 VAL 43 -10.222 -9.414 -7.471 341 H ASN 44 H ASN 44 -9.004 -12.056 -10.063 342 HA ASN 44 HA ASN 44 -10.742 -12.733 -12.158 343 1HB ASN 44 1HB ASN 44 -7.771 -12.249 -12.152 344 2HB ASN 44 2HB ASN 44 -8.716 -12.488 -13.621 345 1HD2 ASN 44 1HD2 ASN 44 -8.041 -10.367 -10.961 346 2HD2 ASN 44 2HD2 ASN 44 -8.840 -8.978 -11.605 347 H GLY 45 H GLY 45 -8.134 -14.551 -10.664 348 1HA GLY 45 1HA GLY 45 -7.923 -16.895 -10.658 349 2HA GLY 45 2HA GLY 45 -9.092 -16.984 -11.965 350 H HIS 46 H HIS 46 -5.949 -15.259 -11.665 351 HA HIS 46 HA HIS 46 -4.868 -16.998 -13.772 352 1HB HIS 46 1HB HIS 46 -5.779 -14.870 -14.807 353 2HB HIS 46 2HB HIS 46 -4.555 -13.989 -13.899 354 HD1 HIS 46 HD1 HIS 46 -3.095 -13.210 -15.815 355 HD2 HIS 46 HD2 HIS 46 -3.865 -17.299 -15.927 356 HE1 HIS 46 HE1 HIS 46 -1.575 -14.144 -17.590 357 HE2 HIS 46 HE2 HIS 46 -1.959 -16.637 -17.544 358 H GLU 47 H GLU 47 -2.451 -16.901 -13.899 359 HA GLU 47 HA GLU 47 -1.160 -15.815 -11.486 360 1HB GLU 47 1HB GLU 47 -0.868 -18.665 -12.464 361 2HB GLU 47 2HB GLU 47 0.069 -17.942 -11.165 362 1HG GLU 47 1HG GLU 47 -1.999 -17.604 -9.885 363 2HG GLU 47 2HG GLU 47 -2.909 -18.381 -11.179 364 H THR 48 H THR 48 0.450 -14.638 -12.039 365 HA THR 48 HA THR 48 1.917 -15.009 -14.532 366 HB THR 48 HB THR 48 -0.086 -13.681 -15.009 367 HG1 THR 48 HG1 THR 48 1.651 -13.367 -16.357 368 1HG2 THR 48 1HG2 THR 48 -0.180 -11.349 -14.257 369 2HG2 THR 48 2HG2 THR 48 1.194 -11.668 -13.197 370 3HG2 THR 48 3HG2 THR 48 -0.340 -12.498 -12.925 371 H THR 49 H THR 49 3.338 -12.945 -14.777 372 HA THR 49 HA THR 49 4.575 -12.173 -12.216 373 HB THR 49 HB THR 49 6.099 -13.210 -14.631 374 HG1 THR 49 HG1 THR 49 5.026 -14.518 -12.639 375 1HG2 THR 49 1HG2 THR 49 8.121 -12.888 -13.276 376 2HG2 THR 49 2HG2 THR 49 7.148 -12.184 -11.984 377 3HG2 THR 49 3HG2 THR 49 7.284 -11.357 -13.535 378 H VAL 50 H VAL 50 4.942 -10.016 -12.169 379 HA VAL 50 HA VAL 50 4.635 -8.476 -14.671 380 HB VAL 50 HB VAL 50 2.984 -7.740 -12.274 381 1HG1 VAL 50 1HG1 VAL 50 2.600 -7.287 -15.230 382 2HG1 VAL 50 2HG1 VAL 50 3.221 -6.109 -14.071 383 3HG1 VAL 50 3HG1 VAL 50 1.556 -6.682 -13.943 384 1HG2 VAL 50 1HG2 VAL 50 1.065 -8.936 -13.229 385 2HG2 VAL 50 2HG2 VAL 50 2.343 -10.032 -12.705 386 3HG2 VAL 50 3HG2 VAL 50 2.135 -9.675 -14.419 387 H TYR 51 H TYR 51 4.620 -6.046 -14.000 388 HA TYR 51 HA TYR 51 6.382 -5.408 -11.749 389 1HB TYR 51 1HB TYR 51 6.739 -4.093 -14.448 390 2HB TYR 51 2HB TYR 51 7.823 -4.054 -13.065 391 HD1 TYR 51 HD1 TYR 51 9.312 -5.950 -12.606 392 HD2 TYR 51 HD2 TYR 51 6.760 -5.931 -16.007 393 HE1 TYR 51 HE1 TYR 51 10.620 -7.786 -13.594 394 HE2 TYR 51 HE2 TYR 51 8.054 -7.763 -17.002 395 HH TYR 51 HH TYR 51 10.250 -8.743 -16.874 396 HA PRO 52 HA PRO 52 2.751 -2.709 -11.334 397 1HB PRO 52 1HB PRO 52 4.360 -1.588 -9.119 398 2HB PRO 52 2HB PRO 52 2.747 -2.305 -9.092 399 1HG PRO 52 1HG PRO 52 4.845 -3.594 -8.064 400 2HG PRO 52 2HG PRO 52 3.563 -4.462 -8.930 401 1HD PRO 52 1HD PRO 52 6.291 -3.670 -9.878 402 2HD PRO 52 2HD PRO 52 5.400 -5.185 -10.142 403 H GLY 53 H GLY 53 5.766 -1.075 -10.320 404 1HA GLY 53 1HA GLY 53 6.660 0.565 -12.038 405 2HA GLY 53 2HA GLY 53 5.005 1.160 -12.082 406 H SER 54 H SER 54 5.153 3.140 -11.213 407 HA SER 54 HA SER 54 6.634 3.486 -8.712 408 1HB SER 54 1HB SER 54 6.216 5.961 -9.260 409 2HB SER 54 2HB SER 54 7.317 5.083 -10.323 410 HG SER 54 HG SER 54 4.809 6.132 -10.831 411 H ASP 55 H ASP 55 5.632 4.899 -7.057 412 HA ASP 55 HA ASP 55 4.009 5.308 -5.528 413 1HB ASP 55 1HB ASP 55 2.446 5.622 -8.083 414 2HB ASP 55 2HB ASP 55 1.705 5.880 -6.506 415 H ALA 56 H ALA 56 4.672 2.777 -5.724 416 HA ALA 56 HA ALA 56 2.443 1.024 -6.136 417 1HB ALA 56 1HB ALA 56 3.959 -0.762 -5.465 418 2HB ALA 56 2HB ALA 56 5.159 0.431 -4.967 419 3HB ALA 56 3HB ALA 56 4.711 0.288 -6.667 420 H VAL 57 H VAL 57 1.007 0.350 -4.666 421 HA VAL 57 HA VAL 57 1.577 0.666 -1.797 422 HB VAL 57 HB VAL 57 -0.796 1.480 -1.471 423 1HG1 VAL 57 1HG1 VAL 57 -0.228 3.825 -1.905 424 2HG1 VAL 57 2HG1 VAL 57 1.132 3.307 -2.901 425 3HG1 VAL 57 3HG1 VAL 57 1.115 2.951 -1.173 426 1HG2 VAL 57 1HG2 VAL 57 -1.833 2.673 -3.341 427 2HG2 VAL 57 2HG2 VAL 57 -1.670 0.951 -3.677 428 3HG2 VAL 57 3HG2 VAL 57 -0.553 2.100 -4.413 429 H VAL 58 H VAL 58 -0.395 -0.314 -0.553 430 HA VAL 58 HA VAL 58 -1.040 -2.854 -1.844 431 HB VAL 58 HB VAL 58 -0.404 -3.642 0.651 432 1HG1 VAL 58 1HG1 VAL 58 0.301 -4.733 -1.415 433 2HG1 VAL 58 2HG1 VAL 58 1.679 -4.528 -0.331 434 3HG1 VAL 58 3HG1 VAL 58 1.466 -3.441 -1.706 435 1HG2 VAL 58 1HG2 VAL 58 1.747 -2.673 1.261 436 2HG2 VAL 58 2HG2 VAL 58 0.459 -1.469 1.300 437 3HG2 VAL 58 3HG2 VAL 58 1.585 -1.511 -0.057 438 H VAL 59 H VAL 59 -2.664 -4.056 -0.983 439 HA VAL 59 HA VAL 59 -4.461 -2.977 1.014 440 HB VAL 59 HB VAL 59 -6.208 -3.878 -0.573 441 1HG1 VAL 59 1HG1 VAL 59 -6.379 -1.820 -1.878 442 2HG1 VAL 59 2HG1 VAL 59 -4.721 -1.427 -1.428 443 3HG1 VAL 59 3HG1 VAL 59 -5.978 -1.492 -0.192 444 1HG2 VAL 59 1HG2 VAL 59 -5.674 -3.854 -2.958 445 2HG2 VAL 59 2HG2 VAL 59 -4.822 -5.115 -2.067 446 3HG2 VAL 59 3HG2 VAL 59 -3.977 -3.637 -2.530 447 H THR 60 H THR 60 -6.232 -4.743 1.234 448 HA THR 60 HA THR 60 -4.907 -7.381 1.587 449 HB THR 60 HB THR 60 -6.570 -7.621 3.502 450 HG1 THR 60 HG1 THR 60 -7.001 -4.899 2.823 451 1HG2 THR 60 1HG2 THR 60 -4.220 -7.102 3.907 452 2HG2 THR 60 2HG2 THR 60 -5.260 -6.271 5.065 453 3HG2 THR 60 3HG2 THR 60 -4.561 -5.381 3.712 454 H ALA 61 H ALA 61 -7.036 -8.892 2.329 455 HA ALA 61 HA ALA 61 -7.998 -9.807 -0.098 456 1HB ALA 61 1HB ALA 61 -9.304 -11.383 1.157 457 2HB ALA 61 2HB ALA 61 -9.149 -10.402 2.613 458 3HB ALA 61 3HB ALA 61 -7.725 -11.176 1.918 459 H THR 62 H THR 62 -9.839 -7.924 2.344 460 HA THR 62 HA THR 62 -12.343 -8.192 1.082 461 HB THR 62 HB THR 62 -12.448 -5.662 2.128 462 HG1 THR 62 HG1 THR 62 -10.880 -5.430 3.545 463 1HG2 THR 62 1HG2 THR 62 -13.497 -6.742 4.071 464 2HG2 THR 62 2HG2 THR 62 -12.846 -8.295 3.547 465 3HG2 THR 62 3HG2 THR 62 -14.033 -7.454 2.550 466 H GLU 63 H GLU 63 -10.037 -5.561 0.875 467 HA GLU 63 HA GLU 63 -11.311 -4.005 -1.054 468 1HB GLU 63 1HB GLU 63 -8.323 -4.342 -0.685 469 2HB GLU 63 2HB GLU 63 -9.158 -2.930 -1.320 470 1HG GLU 63 1HG GLU 63 -10.024 -2.365 0.802 471 2HG GLU 63 2HG GLU 63 -9.604 -3.932 1.480 472 H HIS 64 H HIS 64 -9.319 -6.815 -1.252 473 HA HIS 64 HA HIS 64 -8.502 -6.782 -3.890 474 1HB HIS 64 1HB HIS 64 -7.401 -8.511 -3.084 475 2HB HIS 64 2HB HIS 64 -8.441 -8.547 -1.677 476 HD1 HIS 64 HD1 HIS 64 -10.225 -10.402 -1.576 477 HD2 HIS 64 HD2 HIS 64 -7.972 -10.451 -5.067 478 HE1 HIS 64 HE1 HIS 64 -10.594 -12.668 -2.585 479 HE2 HIS 64 HE2 HIS 64 -9.074 -12.738 -4.583 480 H ALA 65 H ALA 65 -11.652 -7.850 -2.642 481 HA ALA 65 HA ALA 65 -12.262 -9.604 -4.741 482 1HB ALA 65 1HB ALA 65 -13.522 -9.513 -2.638 483 2HB ALA 65 2HB ALA 65 -14.586 -9.354 -4.036 484 3HB ALA 65 3HB ALA 65 -14.156 -7.931 -3.090 485 H GLU 66 H GLU 66 -13.868 -6.570 -4.244 486 HA GLU 66 HA GLU 66 -14.688 -6.133 -6.863 487 1HB GLU 66 1HB GLU 66 -14.657 -3.633 -5.822 488 2HB GLU 66 2HB GLU 66 -15.911 -4.821 -5.482 489 1HG GLU 66 1HG GLU 66 -14.576 -5.511 -3.448 490 2HG GLU 66 2HG GLU 66 -13.522 -4.131 -3.755 491 H ALA 67 H ALA 67 -12.174 -4.392 -5.117 492 HA ALA 67 HA ALA 67 -11.292 -2.873 -7.258 493 1HB ALA 67 1HB ALA 67 -9.699 -3.702 -4.842 494 2HB ALA 67 2HB ALA 67 -10.794 -2.322 -4.931 495 3HB ALA 67 3HB ALA 67 -9.335 -2.356 -5.922 496 H GLU 68 H GLU 68 -9.766 -5.877 -5.937 497 HA GLU 68 HA GLU 68 -7.658 -5.749 -7.802 498 1HB GLU 68 1HB GLU 68 -7.335 -7.154 -5.874 499 2HB GLU 68 2HB GLU 68 -8.674 -8.193 -6.352 500 1HG GLU 68 1HG GLU 68 -7.434 -8.806 -8.389 501 2HG GLU 68 2HG GLU 68 -6.084 -7.818 -7.844 502 H LYS 69 H LYS 69 -10.900 -7.229 -8.125 503 HA LYS 69 HA LYS 69 -10.366 -8.561 -10.532 504 1HB LYS 69 1HB LYS 69 -12.529 -8.657 -9.306 505 2HB LYS 69 2HB LYS 69 -12.890 -7.032 -9.878 506 1HG LYS 69 1HG LYS 69 -12.849 -7.821 -12.182 507 2HG LYS 69 2HG LYS 69 -12.453 -9.446 -11.625 508 1HD LYS 69 1HD LYS 69 -14.973 -7.919 -10.982 509 2HD LYS 69 2HD LYS 69 -14.829 -9.240 -12.145 510 1HE LYS 69 1HE LYS 69 -14.112 -10.726 -10.299 511 2HE LYS 69 2HE LYS 69 -14.387 -9.405 -9.163 512 1HZ LYS 69 1HZ LYS 69 -16.281 -10.844 -9.183 513 2HZ LYS 69 2HZ LYS 69 -16.418 -10.734 -10.870 514 3HZ LYS 69 3HZ LYS 69 -16.724 -9.371 -9.907 515 H ARG 70 H ARG 70 -11.914 -5.347 -10.328 516 HA ARG 70 HA ARG 70 -11.654 -4.773 -13.091 517 1HB ARG 70 1HB ARG 70 -13.227 -3.586 -11.716 518 2HB ARG 70 2HB ARG 70 -11.951 -2.989 -10.671 519 1HG ARG 70 1HG ARG 70 -11.494 -2.149 -13.379 520 2HG ARG 70 2HG ARG 70 -13.118 -1.701 -12.850 521 1HD ARG 70 1HD ARG 70 -11.667 -1.034 -10.661 522 2HD ARG 70 2HD ARG 70 -10.487 -0.734 -11.935 523 HE ARG 70 HE ARG 70 -12.687 0.517 -12.873 524 1HH1 ARG 70 1HH1 ARG 70 -10.862 0.712 -9.882 525 2HH1 ARG 70 2HH1 ARG 70 -11.465 2.291 -9.467 526 1HH2 ARG 70 1HH2 ARG 70 -13.432 2.621 -12.350 527 2HH2 ARG 70 2HH2 ARG 70 -12.910 3.382 -10.881 528 H ALA 71 H ALA 71 -9.813 -3.639 -10.379 529 HA ALA 71 HA ALA 71 -7.928 -2.087 -11.663 530 1HB ALA 71 1HB ALA 71 -8.448 -2.009 -9.294 531 2HB ALA 71 2HB ALA 71 -6.720 -2.225 -9.571 532 3HB ALA 71 3HB ALA 71 -7.712 -3.595 -9.076 533 H ALA 72 H ALA 72 -7.808 -5.604 -10.934 534 HA ALA 72 HA ALA 72 -5.110 -5.998 -11.594 535 1HB ALA 72 1HB ALA 72 -6.486 -7.784 -10.611 536 2HB ALA 72 2HB ALA 72 -5.633 -8.314 -12.061 537 3HB ALA 72 3HB ALA 72 -7.354 -7.936 -12.139 538 H ALA 73 H ALA 73 -8.032 -6.013 -13.606 539 HA ALA 73 HA ALA 73 -6.769 -6.635 -16.027 540 1HB ALA 73 1HB ALA 73 -9.091 -4.749 -15.595 541 2HB ALA 73 2HB ALA 73 -9.197 -6.497 -15.813 542 3HB ALA 73 3HB ALA 73 -8.629 -5.475 -17.134 543 H ARG 74 H ARG 74 -7.174 -3.516 -14.407 544 HA ARG 74 HA ARG 74 -5.795 -1.885 -16.238 545 1HB ARG 74 1HB ARG 74 -6.574 -1.694 -13.433 546 2HB ARG 74 2HB ARG 74 -5.090 -0.828 -13.795 547 1HG ARG 74 1HG ARG 74 -6.787 0.741 -14.072 548 2HG ARG 74 2HG ARG 74 -6.366 0.243 -15.711 549 1HD ARG 74 1HD ARG 74 -8.278 -1.272 -15.742 550 2HD ARG 74 2HD ARG 74 -8.696 -0.787 -14.099 551 HE ARG 74 HE ARG 74 -9.085 0.752 -16.535 552 1HH1 ARG 74 1HH1 ARG 74 -8.994 0.800 -13.019 553 2HH1 ARG 74 2HH1 ARG 74 -10.053 2.177 -12.910 554 1HH2 ARG 74 1HH2 ARG 74 -10.476 2.562 -16.356 555 2HH2 ARG 74 2HH2 ARG 74 -10.881 3.181 -14.772 556 H ALA 75 H ALA 75 -4.460 -3.526 -13.357 557 HA ALA 75 HA ALA 75 -1.863 -2.587 -13.343 558 1HB ALA 75 1HB ALA 75 -2.843 -3.969 -11.576 559 2HB ALA 75 2HB ALA 75 -1.260 -4.560 -12.082 560 3HB ALA 75 3HB ALA 75 -2.723 -5.387 -12.621 561 H GLY 76 H GLY 76 -3.107 -5.294 -15.313 562 1HA GLY 76 1HA GLY 76 -0.322 -5.569 -16.307 563 2HA GLY 76 2HA GLY 76 -1.477 -6.883 -16.316 564 H HIS 77 H HIS 77 -3.090 -4.118 -17.256 565 HA HIS 77 HA HIS 77 -2.789 -4.764 -20.085 566 1HB HIS 77 1HB HIS 77 -5.056 -4.356 -19.156 567 2HB HIS 77 2HB HIS 77 -4.578 -2.712 -18.753 568 HD1 HIS 77 HD1 HIS 77 -5.645 -4.861 -21.615 569 HD2 HIS 77 HD2 HIS 77 -4.396 -0.949 -20.948 570 HE1 HIS 77 HE1 HIS 77 -6.171 -3.611 -23.727 571 HE2 HIS 77 HE2 HIS 77 -5.164 -1.324 -23.387 572 H ALA 78 H ALA 78 -1.690 -2.520 -17.757 573 HA ALA 78 HA ALA 78 -0.919 -0.470 -19.631 574 1HB ALA 78 1HB ALA 78 -1.546 0.108 -17.339 575 2HB ALA 78 2HB ALA 78 0.108 0.607 -17.697 576 3HB ALA 78 3HB ALA 78 -0.186 -0.837 -16.728 577 H ALA 79 H ALA 79 0.344 -3.446 -18.663 578 HA ALA 79 HA ALA 79 3.057 -2.665 -19.479 579 1HB ALA 79 1HB ALA 79 3.844 -4.680 -18.342 580 2HB ALA 79 2HB ALA 79 2.184 -5.096 -17.917 581 3HB ALA 79 3HB ALA 79 2.931 -3.650 -17.240 582 H THR 80 H THR 80 2.750 -2.776 -21.695 583 HA THR 80 HA THR 80 2.288 -5.490 -22.738 584 HB THR 80 HB THR 80 1.504 -2.905 -24.108 585 HG1 THR 80 HG1 THR 80 0.202 -4.492 -22.279 586 1HG2 THR 80 1HG2 THR 80 2.066 -4.739 -25.645 587 2HG2 THR 80 2HG2 THR 80 0.342 -4.363 -25.689 588 3HG2 THR 80 3HG2 THR 80 0.914 -5.785 -24.811 Start of MODEL 8 1 H MET 1 H MET 1 9.868 1.261 -1.219 2 HA MET 1 HA MET 1 7.504 1.228 0.565 3 1HB MET 1 1HB MET 1 6.347 0.042 -1.202 4 2HB MET 1 2HB MET 1 6.928 1.577 -1.833 5 1HG MET 1 1HG MET 1 8.702 0.512 -3.007 6 2HG MET 1 2HG MET 1 8.389 -1.024 -2.205 7 1HE MET 1 1HE MET 1 4.951 -2.065 -3.765 8 2HE MET 1 2HE MET 1 5.227 -1.178 -2.265 9 3HE MET 1 3HE MET 1 6.261 -2.543 -2.686 10 H HIS 2 H HIS 2 6.893 -0.900 1.229 11 HA HIS 2 HA HIS 2 8.785 -3.037 0.605 12 1HB HIS 2 1HB HIS 2 8.967 -3.781 2.896 13 2HB HIS 2 2HB HIS 2 9.466 -2.099 2.808 14 HD1 HIS 2 HD1 HIS 2 7.930 -0.341 3.982 15 HD2 HIS 2 HD2 HIS 2 6.753 -4.302 4.482 16 HE1 HIS 2 HE1 HIS 2 6.265 -0.326 5.868 17 HE2 HIS 2 HE2 HIS 2 5.743 -2.756 6.294 18 H ALA 3 H ALA 3 7.824 -4.925 0.188 19 HA ALA 3 HA ALA 3 4.938 -5.140 0.755 20 1HB ALA 3 1HB ALA 3 4.622 -6.193 -1.421 21 2HB ALA 3 2HB ALA 3 6.337 -5.995 -1.779 22 3HB ALA 3 3HB ALA 3 5.304 -4.577 -1.606 23 H LYS 4 H LYS 4 4.163 -7.230 1.161 24 HA LYS 4 HA LYS 4 6.211 -9.309 1.492 25 1HB LYS 4 1HB LYS 4 4.117 -8.467 3.498 26 2HB LYS 4 2HB LYS 4 4.990 -9.987 3.599 27 1HG LYS 4 1HG LYS 4 6.522 -7.433 3.430 28 2HG LYS 4 2HG LYS 4 5.773 -7.899 4.957 29 1HD LYS 4 1HD LYS 4 7.931 -8.772 5.104 30 2HD LYS 4 2HD LYS 4 6.952 -10.153 4.620 31 1HE LYS 4 1HE LYS 4 8.975 -10.161 3.338 32 2HE LYS 4 2HE LYS 4 7.638 -9.745 2.269 33 1HZ LYS 4 1HZ LYS 4 9.229 -7.611 3.541 34 2HZ LYS 4 2HZ LYS 4 8.337 -7.569 2.097 35 3HZ LYS 4 3HZ LYS 4 9.813 -8.392 2.158 36 H VAL 5 H VAL 5 5.103 -11.478 1.930 37 HA VAL 5 HA VAL 5 3.200 -11.869 -0.225 38 HB VAL 5 HB VAL 5 5.062 -13.407 -0.141 39 1HG1 VAL 5 1HG1 VAL 5 5.633 -13.205 2.209 40 2HG1 VAL 5 2HG1 VAL 5 5.450 -14.902 1.766 41 3HG1 VAL 5 3HG1 VAL 5 4.169 -14.081 2.659 42 1HG2 VAL 5 1HG2 VAL 5 3.926 -15.578 -0.010 43 2HG2 VAL 5 2HG2 VAL 5 2.957 -14.386 -0.876 44 3HG2 VAL 5 3HG2 VAL 5 2.556 -14.806 0.789 45 H GLY 6 H GLY 6 1.187 -12.817 -0.012 46 1HA GLY 6 1HA GLY 6 -0.667 -13.668 1.176 47 2HA GLY 6 2HA GLY 6 0.134 -13.241 2.686 48 H ASP 7 H ASP 7 0.430 -10.825 0.422 49 HA ASP 7 HA ASP 7 -2.026 -9.382 1.395 50 1HB ASP 7 1HB ASP 7 0.838 -8.363 1.314 51 2HB ASP 7 2HB ASP 7 -0.552 -7.281 1.315 52 H TYR 8 H TYR 8 -2.328 -7.396 -0.052 53 HA TYR 8 HA TYR 8 -1.987 -8.407 -2.778 54 1HB TYR 8 1HB TYR 8 -4.139 -6.658 -1.586 55 2HB TYR 8 2HB TYR 8 -4.002 -7.010 -3.305 56 HD1 TYR 8 HD1 TYR 8 -4.319 -9.356 -4.106 57 HD2 TYR 8 HD2 TYR 8 -5.094 -8.249 -0.078 58 HE1 TYR 8 HE1 TYR 8 -5.659 -11.402 -3.819 59 HE2 TYR 8 HE2 TYR 8 -6.434 -10.292 0.217 60 HH TYR 8 HH TYR 8 -6.341 -12.885 -1.836 61 H LEU 9 H LEU 9 -1.573 -6.993 -4.460 62 HA LEU 9 HA LEU 9 0.103 -4.727 -3.707 63 1HB LEU 9 1HB LEU 9 1.178 -6.441 -5.033 64 2HB LEU 9 2HB LEU 9 -0.109 -6.392 -6.219 65 HG LEU 9 HG LEU 9 1.373 -3.858 -5.814 66 1HD1 LEU 9 1HD1 LEU 9 2.594 -6.251 -7.183 67 2HD1 LEU 9 2HD1 LEU 9 3.180 -5.492 -5.703 68 3HD1 LEU 9 3HD1 LEU 9 3.225 -4.605 -7.227 69 1HD2 LEU 9 1HD2 LEU 9 -0.406 -4.074 -7.477 70 2HD2 LEU 9 2HD2 LEU 9 0.463 -5.405 -8.243 71 3HD2 LEU 9 3HD2 LEU 9 1.152 -3.781 -8.250 72 H VAL 10 H VAL 10 -0.114 -2.769 -4.673 73 HA VAL 10 HA VAL 10 -2.686 -2.146 -5.974 74 HB VAL 10 HB VAL 10 -1.237 -0.485 -3.906 75 1HG1 VAL 10 1HG1 VAL 10 -2.491 0.854 -5.479 76 2HG1 VAL 10 2HG1 VAL 10 -3.272 0.870 -3.897 77 3HG1 VAL 10 3HG1 VAL 10 -3.931 -0.125 -5.195 78 1HG2 VAL 10 1HG2 VAL 10 -3.729 -2.142 -3.600 79 2HG2 VAL 10 2HG2 VAL 10 -3.080 -1.030 -2.395 80 3HG2 VAL 10 3HG2 VAL 10 -2.160 -2.461 -2.863 81 H VAL 11 H VAL 11 -2.605 -0.534 -7.546 82 HA VAL 11 HA VAL 11 -0.026 0.794 -8.054 83 HB VAL 11 HB VAL 11 -1.687 -0.243 -10.341 84 1HG1 VAL 11 1HG1 VAL 11 0.410 -0.053 -11.581 85 2HG1 VAL 11 2HG1 VAL 11 1.223 0.501 -10.118 86 3HG1 VAL 11 3HG1 VAL 11 -0.053 1.480 -10.841 87 1HG2 VAL 11 1HG2 VAL 11 -0.190 -2.176 -10.537 88 2HG2 VAL 11 2HG2 VAL 11 -1.138 -2.217 -9.051 89 3HG2 VAL 11 3HG2 VAL 11 0.559 -1.738 -9.001 90 H LYS 12 H LYS 12 -0.259 2.763 -9.357 91 HA LYS 12 HA LYS 12 -2.976 3.503 -10.108 92 1HB LYS 12 1HB LYS 12 -2.452 4.595 -7.893 93 2HB LYS 12 2HB LYS 12 -1.179 5.490 -8.714 94 1HG LYS 12 1HG LYS 12 -3.271 6.778 -8.470 95 2HG LYS 12 2HG LYS 12 -2.787 6.557 -10.155 96 1HD LYS 12 1HD LYS 12 -4.403 4.815 -10.459 97 2HD LYS 12 2HD LYS 12 -4.785 4.801 -8.736 98 1HE LYS 12 1HE LYS 12 -5.646 7.095 -8.929 99 2HE LYS 12 2HE LYS 12 -5.305 7.063 -10.659 100 1HZ LYS 12 1HZ LYS 12 -7.655 6.556 -10.024 101 2HZ LYS 12 2HZ LYS 12 -7.105 5.110 -9.320 102 3HZ LYS 12 3HZ LYS 12 -6.914 5.376 -10.987 103 H GLY 13 H GLY 13 0.116 5.309 -10.087 104 1HA GLY 13 1HA GLY 13 1.463 4.894 -12.216 105 2HA GLY 13 2HA GLY 13 -0.032 5.301 -13.042 106 H THR 14 H THR 14 -0.081 7.243 -10.436 107 HA THR 14 HA THR 14 1.751 9.277 -11.291 108 HB THR 14 HB THR 14 -1.195 9.860 -11.682 109 HG1 THR 14 HG1 THR 14 0.708 8.820 -13.388 110 1HG2 THR 14 1HG2 THR 14 -0.377 11.946 -12.698 111 2HG2 THR 14 2HG2 THR 14 1.277 11.484 -12.293 112 3HG2 THR 14 3HG2 THR 14 0.112 11.806 -11.008 113 H THR 15 H THR 15 -1.462 9.139 -9.735 114 HA THR 15 HA THR 15 -0.434 10.821 -7.584 115 HB THR 15 HB THR 15 -3.285 9.922 -8.003 116 HG1 THR 15 HG1 THR 15 -2.265 12.437 -8.834 117 1HG2 THR 15 1HG2 THR 15 -2.799 10.830 -5.790 118 2HG2 THR 15 2HG2 THR 15 -3.809 11.948 -6.706 119 3HG2 THR 15 3HG2 THR 15 -2.084 12.267 -6.521 120 H THR 16 H THR 16 0.528 9.681 -6.011 121 HA THR 16 HA THR 16 -0.349 7.090 -5.205 122 HB THR 16 HB THR 16 1.979 7.606 -4.933 123 HG1 THR 16 HG1 THR 16 0.935 6.301 -3.278 124 1HG2 THR 16 1HG2 THR 16 1.846 10.026 -4.675 125 2HG2 THR 16 2HG2 THR 16 2.804 9.311 -3.378 126 3HG2 THR 16 3HG2 THR 16 1.146 9.828 -3.068 127 H GLU 17 H GLU 17 -2.531 7.429 -4.828 128 HA GLU 17 HA GLU 17 -3.245 8.119 -2.149 129 1HB GLU 17 1HB GLU 17 -3.079 10.364 -3.369 130 2HB GLU 17 2HB GLU 17 -4.448 9.836 -4.332 131 1HG GLU 17 1HG GLU 17 -4.511 10.047 -1.334 132 2HG GLU 17 2HG GLU 17 -4.982 11.354 -2.417 133 H ARG 18 H ARG 18 -4.970 8.275 -5.265 134 HA ARG 18 HA ARG 18 -6.988 6.462 -4.412 135 1HB ARG 18 1HB ARG 18 -6.265 7.570 -7.125 136 2HB ARG 18 2HB ARG 18 -7.590 6.434 -6.889 137 1HG ARG 18 1HG ARG 18 -7.346 9.117 -5.541 138 2HG ARG 18 2HG ARG 18 -8.343 8.772 -6.956 139 1HD ARG 18 1HD ARG 18 -8.679 7.111 -4.502 140 2HD ARG 18 2HD ARG 18 -9.376 8.728 -4.540 141 HE ARG 18 HE ARG 18 -10.811 8.048 -6.288 142 1HH1 ARG 18 1HH1 ARG 18 -8.873 5.405 -5.039 143 2HH1 ARG 18 2HH1 ARG 18 -9.910 4.173 -5.679 144 1HH2 ARG 18 1HH2 ARG 18 -12.181 6.428 -7.110 145 2HH2 ARG 18 2HH2 ARG 18 -11.800 4.752 -6.853 146 H HIS 19 H HIS 19 -6.367 4.526 -3.864 147 HA HIS 19 HA HIS 19 -4.196 3.226 -5.270 148 1HB HIS 19 1HB HIS 19 -4.459 1.540 -3.354 149 2HB HIS 19 2HB HIS 19 -3.895 3.153 -2.944 150 HD1 HIS 19 HD1 HIS 19 -5.636 4.729 -1.715 151 HD2 HIS 19 HD2 HIS 19 -6.805 0.756 -2.137 152 HE1 HIS 19 HE1 HIS 19 -7.540 4.402 -0.101 153 HE2 HIS 19 HE2 HIS 19 -8.072 1.938 -0.219 154 H ASP 20 H ASP 20 -4.870 2.324 -7.128 155 HA ASP 20 HA ASP 20 -7.234 0.553 -7.020 156 1HB ASP 20 1HB ASP 20 -6.084 2.123 -9.340 157 2HB ASP 20 2HB ASP 20 -7.346 0.907 -9.511 158 H GLN 21 H GLN 21 -6.901 -0.899 -9.267 159 HA GLN 21 HA GLN 21 -5.849 -2.701 -10.172 160 1HB GLN 21 1HB GLN 21 -3.411 -0.953 -9.784 161 2HB GLN 21 2HB GLN 21 -3.517 -2.341 -10.859 162 1HG GLN 21 1HG GLN 21 -5.028 -1.247 -12.293 163 2HG GLN 21 2HG GLN 21 -5.337 0.030 -11.118 164 1HE2 GLN 21 1HE2 GLN 21 -3.830 1.667 -10.846 165 2HE2 GLN 21 2HE2 GLN 21 -2.579 1.970 -12.002 166 H HIS 22 H HIS 22 -6.203 -4.246 -8.533 167 HA HIS 22 HA HIS 22 -3.966 -4.588 -6.644 168 1HB HIS 22 1HB HIS 22 -6.885 -5.235 -6.187 169 2HB HIS 22 2HB HIS 22 -5.583 -5.584 -5.057 170 HD1 HIS 22 HD1 HIS 22 -7.891 -3.816 -4.147 171 HD2 HIS 22 HD2 HIS 22 -4.423 -2.327 -5.880 172 HE1 HIS 22 HE1 HIS 22 -7.733 -1.427 -3.395 173 HE2 HIS 22 HE2 HIS 22 -5.792 -0.486 -4.685 174 H ALA 23 H ALA 23 -3.409 -6.695 -6.025 175 HA ALA 23 HA ALA 23 -4.762 -9.105 -6.939 176 1HB ALA 23 1HB ALA 23 -3.654 -8.515 -9.045 177 2HB ALA 23 2HB ALA 23 -3.028 -10.004 -8.340 178 3HB ALA 23 3HB ALA 23 -2.098 -8.510 -8.213 179 H GLU 24 H GLU 24 -3.124 -10.999 -6.491 180 HA GLU 24 HA GLU 24 -2.272 -10.406 -3.745 181 1HB GLU 24 1HB GLU 24 -3.785 -12.252 -3.913 182 2HB GLU 24 2HB GLU 24 -2.787 -13.025 -5.136 183 1HG GLU 24 1HG GLU 24 -0.991 -13.255 -3.431 184 2HG GLU 24 2HG GLU 24 -2.125 -12.638 -2.230 185 H ILE 25 H ILE 25 -0.275 -10.222 -3.160 186 HA ILE 25 HA ILE 25 1.876 -11.085 -4.915 187 HB ILE 25 HB ILE 25 2.291 -9.918 -2.173 188 1HG1 ILE 25 1HG1 ILE 25 1.845 -8.316 -4.703 189 2HG1 ILE 25 2HG1 ILE 25 0.673 -8.462 -3.398 190 1HG2 ILE 25 1HG2 ILE 25 4.330 -9.047 -3.222 191 2HG2 ILE 25 2HG2 ILE 25 3.849 -9.778 -4.753 192 3HG2 ILE 25 3HG2 ILE 25 4.223 -10.801 -3.365 193 1HD1 ILE 25 1HD1 ILE 25 1.869 -6.369 -3.237 194 2HD1 ILE 25 2HD1 ILE 25 3.410 -7.228 -3.201 195 3HD1 ILE 25 3HD1 ILE 25 2.270 -7.405 -1.866 196 H ILE 26 H ILE 26 2.191 -13.199 -4.849 197 HA ILE 26 HA ILE 26 2.366 -14.525 -2.235 198 HB ILE 26 HB ILE 26 2.382 -16.622 -3.911 199 1HG1 ILE 26 1HG1 ILE 26 0.462 -16.142 -5.555 200 2HG1 ILE 26 2HG1 ILE 26 0.855 -14.442 -5.331 201 1HG2 ILE 26 1HG2 ILE 26 0.012 -16.891 -3.379 202 2HG2 ILE 26 2HG2 ILE 26 -0.065 -15.198 -2.892 203 3HG2 ILE 26 3HG2 ILE 26 0.941 -16.331 -1.990 204 1HD1 ILE 26 1HD1 ILE 26 3.111 -14.859 -6.159 205 2HD1 ILE 26 2HD1 ILE 26 1.882 -15.326 -7.336 206 3HD1 ILE 26 3HD1 ILE 26 2.710 -16.560 -6.387 207 H GLU 27 H GLU 27 4.107 -13.766 -5.147 208 HA GLU 27 HA GLU 27 6.485 -14.956 -3.893 209 1HB GLU 27 1HB GLU 27 5.865 -14.601 -6.825 210 2HB GLU 27 2HB GLU 27 7.472 -14.971 -6.219 211 1HG GLU 27 1HG GLU 27 6.550 -17.035 -5.197 212 2HG GLU 27 2HG GLU 27 5.007 -16.675 -5.973 213 H VAL 28 H VAL 28 7.318 -13.313 -2.808 214 HA VAL 28 HA VAL 28 7.634 -10.725 -4.128 215 HB VAL 28 HB VAL 28 8.278 -11.434 -1.263 216 1HG1 VAL 28 1HG1 VAL 28 8.224 -9.004 -0.922 217 2HG1 VAL 28 2HG1 VAL 28 7.939 -8.775 -2.648 218 3HG1 VAL 28 3HG1 VAL 28 9.460 -9.472 -2.091 219 1HG2 VAL 28 1HG2 VAL 28 6.164 -10.348 -0.688 220 2HG2 VAL 28 2HG2 VAL 28 5.905 -11.763 -1.710 221 3HG2 VAL 28 3HG2 VAL 28 5.806 -10.144 -2.403 222 H ARG 29 H ARG 29 9.425 -10.734 -5.389 223 HA ARG 29 HA ARG 29 11.687 -12.399 -4.635 224 1HB ARG 29 1HB ARG 29 10.549 -12.049 -7.015 225 2HB ARG 29 2HB ARG 29 11.711 -10.730 -7.102 226 1HG ARG 29 1HG ARG 29 13.545 -12.217 -6.865 227 2HG ARG 29 2HG ARG 29 12.479 -13.562 -6.451 228 1HD ARG 29 1HD ARG 29 11.443 -13.227 -8.758 229 2HD ARG 29 2HD ARG 29 12.842 -12.212 -9.110 230 HE ARG 29 HE ARG 29 14.150 -14.311 -8.395 231 1HH1 ARG 29 1HH1 ARG 29 11.071 -14.337 -10.055 232 2HH1 ARG 29 2HH1 ARG 29 11.334 -15.875 -10.801 233 1HH2 ARG 29 1HH2 ARG 29 14.509 -16.345 -9.371 234 2HH2 ARG 29 2HH2 ARG 29 13.304 -17.023 -10.423 235 H SER 30 H SER 30 11.167 -10.119 -3.034 236 HA SER 30 HA SER 30 13.786 -8.929 -3.084 237 1HB SER 30 1HB SER 30 11.330 -7.166 -3.352 238 2HB SER 30 2HB SER 30 12.979 -6.598 -3.088 239 HG SER 30 HG SER 30 13.021 -8.230 -5.172 240 H ALA 31 H ALA 31 14.415 -8.286 -1.043 241 HA ALA 31 HA ALA 31 12.959 -9.271 1.169 242 1HB ALA 31 1HB ALA 31 15.238 -7.293 1.135 243 2HB ALA 31 2HB ALA 31 15.393 -9.050 1.182 244 3HB ALA 31 3HB ALA 31 14.668 -8.191 2.542 245 H ASP 32 H ASP 32 13.420 -6.007 -0.108 246 HA ASP 32 HA ASP 32 11.546 -4.928 1.862 247 1HB ASP 32 1HB ASP 32 13.088 -3.488 -0.312 248 2HB ASP 32 2HB ASP 32 12.164 -2.732 0.981 249 H GLY 33 H GLY 33 11.958 -4.120 -1.557 250 1HA GLY 33 1HA GLY 33 9.625 -5.199 -2.588 251 2HA GLY 33 2HA GLY 33 9.188 -3.632 -1.922 252 H SER 34 H SER 34 10.440 -5.273 -4.577 253 HA SER 34 HA SER 34 10.575 -2.820 -6.066 254 1HB SER 34 1HB SER 34 12.865 -3.419 -7.015 255 2HB SER 34 2HB SER 34 12.854 -2.796 -5.366 256 HG SER 34 HG SER 34 12.599 -5.528 -5.510 257 HA PRO 35 HA PRO 35 8.727 -5.537 -9.049 258 1HB PRO 35 1HB PRO 35 9.883 -3.657 -11.036 259 2HB PRO 35 2HB PRO 35 8.205 -4.157 -10.803 260 1HG PRO 35 1HG PRO 35 9.017 -1.729 -10.068 261 2HG PRO 35 2HG PRO 35 7.850 -2.637 -9.088 262 1HD PRO 35 1HD PRO 35 10.780 -2.213 -8.643 263 2HD PRO 35 2HD PRO 35 9.451 -2.222 -7.464 264 HA PRO 36 HA PRO 36 8.298 -6.420 -11.015 265 1HB PRO 36 1HB PRO 36 8.221 -8.919 -11.958 266 2HB PRO 36 2HB PRO 36 8.928 -7.599 -12.900 267 1HG PRO 36 1HG PRO 36 10.284 -9.731 -11.306 268 2HG PRO 36 2HG PRO 36 10.737 -9.042 -12.875 269 1HD PRO 36 1HD PRO 36 11.845 -8.319 -10.437 270 2HD PRO 36 2HD PRO 36 11.891 -7.335 -11.911 271 H TYR 37 H TYR 37 6.504 -7.799 -10.359 272 HA TYR 37 HA TYR 37 7.017 -9.291 -7.857 273 1HB TYR 37 1HB TYR 37 4.648 -7.559 -8.600 274 2HB TYR 37 2HB TYR 37 4.702 -8.612 -7.190 275 HD1 TYR 37 HD1 TYR 37 5.849 -5.467 -8.644 276 HD2 TYR 37 HD2 TYR 37 6.146 -8.069 -5.289 277 HE1 TYR 37 HE1 TYR 37 6.857 -3.649 -7.330 278 HE2 TYR 37 HE2 TYR 37 7.154 -6.257 -3.970 279 HH TYR 37 HH TYR 37 7.145 -3.014 -4.990 280 H VAL 38 H VAL 38 5.969 -11.270 -7.646 281 HA VAL 38 HA VAL 38 4.570 -12.175 -10.060 282 HB VAL 38 HB VAL 38 5.563 -13.825 -7.725 283 1HG1 VAL 38 1HG1 VAL 38 5.092 -15.747 -9.181 284 2HG1 VAL 38 2HG1 VAL 38 4.412 -14.657 -10.390 285 3HG1 VAL 38 3HG1 VAL 38 3.632 -14.828 -8.818 286 1HG2 VAL 38 1HG2 VAL 38 7.282 -14.619 -9.292 287 2HG2 VAL 38 2HG2 VAL 38 7.409 -12.883 -9.008 288 3HG2 VAL 38 3HG2 VAL 38 6.693 -13.482 -10.505 289 H VAL 39 H VAL 39 2.478 -12.062 -10.058 290 HA VAL 39 HA VAL 39 1.107 -11.748 -7.481 291 HB VAL 39 HB VAL 39 1.725 -9.722 -9.312 292 1HG1 VAL 39 1HG1 VAL 39 -0.062 -10.386 -10.787 293 2HG1 VAL 39 2HG1 VAL 39 -0.457 -8.850 -10.015 294 3HG1 VAL 39 3HG1 VAL 39 -1.217 -10.341 -9.456 295 1HG2 VAL 39 1HG2 VAL 39 1.461 -9.428 -6.934 296 2HG2 VAL 39 2HG2 VAL 39 -0.270 -9.743 -7.057 297 3HG2 VAL 39 3HG2 VAL 39 0.420 -8.300 -7.803 298 H ARG 40 H ARG 40 -1.068 -12.292 -7.450 299 HA ARG 40 HA ARG 40 -1.924 -13.990 -9.700 300 1HB ARG 40 1HB ARG 40 -1.433 -15.070 -7.443 301 2HB ARG 40 2HB ARG 40 -2.834 -14.205 -6.829 302 1HG ARG 40 1HG ARG 40 -4.141 -15.336 -8.695 303 2HG ARG 40 2HG ARG 40 -2.737 -16.386 -8.882 304 1HD ARG 40 1HD ARG 40 -4.551 -16.086 -6.513 305 2HD ARG 40 2HD ARG 40 -4.194 -17.538 -7.443 306 HE ARG 40 HE ARG 40 -2.539 -16.322 -5.360 307 1HH1 ARG 40 1HH1 ARG 40 -2.882 -18.777 -7.833 308 2HH1 ARG 40 2HH1 ARG 40 -1.664 -19.818 -7.166 309 1HH2 ARG 40 1HH2 ARG 40 -0.955 -17.698 -4.459 310 2HH2 ARG 40 2HH2 ARG 40 -0.594 -19.224 -5.214 311 H TRP 41 H TRP 41 -3.560 -13.099 -10.833 312 HA TRP 41 HA TRP 41 -5.465 -11.304 -9.579 313 1HB TRP 41 1HB TRP 41 -5.939 -12.621 -12.243 314 2HB TRP 41 2HB TRP 41 -6.443 -11.030 -11.697 315 HD1 TRP 41 HD1 TRP 41 -3.863 -12.747 -13.724 316 HE1 TRP 41 HE1 TRP 41 -2.083 -11.072 -14.518 317 HE3 TRP 41 HE3 TRP 41 -5.098 -8.785 -10.742 318 HZ2 TRP 41 HZ2 TRP 41 -1.297 -8.427 -13.948 319 HZ3 TRP 41 HZ3 TRP 41 -3.779 -6.717 -10.930 320 HH2 TRP 41 HH2 TRP 41 -1.916 -6.542 -12.500 321 H LEU 42 H LEU 42 -6.188 -12.745 -7.900 322 HA LEU 42 HA LEU 42 -6.867 -15.458 -8.632 323 1HB LEU 42 1HB LEU 42 -7.547 -15.634 -6.197 324 2HB LEU 42 2HB LEU 42 -5.858 -15.343 -6.557 325 HG LEU 42 HG LEU 42 -7.508 -12.935 -6.047 326 1HD1 LEU 42 1HD1 LEU 42 -6.696 -14.873 -3.868 327 2HD1 LEU 42 2HD1 LEU 42 -8.352 -14.498 -4.347 328 3HD1 LEU 42 3HD1 LEU 42 -7.342 -13.250 -3.617 329 1HD2 LEU 42 1HD2 LEU 42 -4.794 -13.867 -5.154 330 2HD2 LEU 42 2HD2 LEU 42 -5.483 -12.263 -4.895 331 3HD2 LEU 42 3HD2 LEU 42 -5.134 -12.821 -6.532 332 H VAL 43 H VAL 43 -8.735 -12.546 -7.857 333 HA VAL 43 HA VAL 43 -11.178 -14.040 -7.717 334 HB VAL 43 HB VAL 43 -12.131 -11.608 -8.036 335 1HG1 VAL 43 1HG1 VAL 43 -10.724 -12.569 -5.557 336 2HG1 VAL 43 2HG1 VAL 43 -12.379 -12.949 -6.032 337 3HG1 VAL 43 3HG1 VAL 43 -11.943 -11.296 -5.599 338 1HG2 VAL 43 1HG2 VAL 43 -10.010 -10.562 -8.617 339 2HG2 VAL 43 2HG2 VAL 43 -9.331 -11.085 -7.075 340 3HG2 VAL 43 3HG2 VAL 43 -10.645 -9.908 -7.106 341 H ASN 44 H ASN 44 -9.211 -12.995 -10.234 342 HA ASN 44 HA ASN 44 -11.411 -13.244 -12.153 343 1HB ASN 44 1HB ASN 44 -8.613 -12.201 -12.373 344 2HB ASN 44 2HB ASN 44 -9.447 -12.768 -13.818 345 1HD2 ASN 44 1HD2 ASN 44 -11.120 -11.275 -11.139 346 2HD2 ASN 44 2HD2 ASN 44 -11.526 -9.813 -11.963 347 H GLY 45 H GLY 45 -8.503 -14.820 -11.029 348 1HA GLY 45 1HA GLY 45 -8.412 -17.211 -10.990 349 2HA GLY 45 2HA GLY 45 -9.383 -17.238 -12.453 350 H HIS 46 H HIS 46 -6.538 -15.217 -11.879 351 HA HIS 46 HA HIS 46 -5.020 -16.875 -13.769 352 1HB HIS 46 1HB HIS 46 -5.417 -13.883 -14.021 353 2HB HIS 46 2HB HIS 46 -4.216 -14.799 -14.923 354 HD1 HIS 46 HD1 HIS 46 -5.004 -16.034 -17.002 355 HD2 HIS 46 HD2 HIS 46 -8.121 -14.413 -14.770 356 HE1 HIS 46 HE1 HIS 46 -7.071 -16.299 -18.416 357 HE2 HIS 46 HE2 HIS 46 -8.954 -15.352 -17.025 358 H GLU 47 H GLU 47 -2.682 -16.128 -13.856 359 HA GLU 47 HA GLU 47 -1.680 -14.785 -11.485 360 1HB GLU 47 1HB GLU 47 -2.090 -17.128 -10.736 361 2HB GLU 47 2HB GLU 47 -1.048 -17.704 -12.024 362 1HG GLU 47 1HG GLU 47 0.007 -15.798 -9.983 363 2HG GLU 47 2HG GLU 47 -0.142 -17.513 -9.610 364 H THR 48 H THR 48 0.446 -13.983 -11.845 365 HA THR 48 HA THR 48 2.110 -14.807 -13.972 366 HB THR 48 HB THR 48 0.251 -13.936 -15.335 367 HG1 THR 48 HG1 THR 48 1.566 -13.013 -16.780 368 1HG2 THR 48 1HG2 THR 48 -0.549 -12.169 -13.852 369 2HG2 THR 48 2HG2 THR 48 -0.175 -11.529 -15.452 370 3HG2 THR 48 3HG2 THR 48 0.948 -11.275 -14.116 371 H THR 49 H THR 49 3.533 -12.856 -14.658 372 HA THR 49 HA THR 49 4.489 -11.625 -12.162 373 HB THR 49 HB THR 49 5.935 -11.773 -14.816 374 HG1 THR 49 HG1 THR 49 5.510 -13.686 -12.868 375 1HG2 THR 49 1HG2 THR 49 7.934 -11.395 -13.443 376 2HG2 THR 49 2HG2 THR 49 6.922 -11.289 -12.001 377 3HG2 THR 49 3HG2 THR 49 6.779 -10.073 -13.271 378 H VAL 50 H VAL 50 3.711 -9.632 -11.832 379 HA VAL 50 HA VAL 50 2.885 -8.061 -14.166 380 HB VAL 50 HB VAL 50 1.206 -8.549 -12.389 381 1HG1 VAL 50 1HG1 VAL 50 1.300 -7.298 -10.286 382 2HG1 VAL 50 2HG1 VAL 50 2.907 -6.712 -10.714 383 3HG1 VAL 50 3HG1 VAL 50 2.642 -8.433 -10.435 384 1HG2 VAL 50 1HG2 VAL 50 0.308 -6.264 -12.266 385 2HG2 VAL 50 2HG2 VAL 50 0.878 -6.676 -13.883 386 3HG2 VAL 50 3HG2 VAL 50 1.856 -5.643 -12.840 387 H TYR 51 H TYR 51 3.468 -5.952 -14.436 388 HA TYR 51 HA TYR 51 5.627 -4.933 -12.714 389 1HB TYR 51 1HB TYR 51 5.178 -4.149 -15.600 390 2HB TYR 51 2HB TYR 51 6.594 -3.832 -14.605 391 HD1 TYR 51 HD1 TYR 51 8.126 -5.732 -14.012 392 HD2 TYR 51 HD2 TYR 51 4.960 -6.166 -16.822 393 HE1 TYR 51 HE1 TYR 51 9.182 -7.778 -14.881 394 HE2 TYR 51 HE2 TYR 51 6.005 -8.212 -17.693 395 HH TYR 51 HH TYR 51 8.333 -9.183 -17.797 396 HA PRO 52 HA PRO 52 2.101 -2.162 -12.048 397 1HB PRO 52 1HB PRO 52 3.455 -1.337 -9.616 398 2HB PRO 52 2HB PRO 52 1.968 -2.269 -9.789 399 1HG PRO 52 1HG PRO 52 4.312 -3.297 -8.823 400 2HG PRO 52 2HG PRO 52 3.053 -4.267 -9.604 401 1HD PRO 52 1HD PRO 52 5.633 -3.248 -10.716 402 2HD PRO 52 2HD PRO 52 4.814 -4.798 -11.002 403 H GLY 53 H GLY 53 5.457 -1.221 -11.278 404 1HA GLY 53 1HA GLY 53 6.566 0.611 -12.313 405 2HA GLY 53 2HA GLY 53 4.996 1.309 -12.687 406 H SER 54 H SER 54 3.914 2.518 -11.127 407 HA SER 54 HA SER 54 5.511 3.184 -8.750 408 1HB SER 54 1HB SER 54 4.012 5.162 -10.481 409 2HB SER 54 2HB SER 54 5.023 5.538 -9.085 410 HG SER 54 HG SER 54 6.784 4.532 -10.311 411 H ASP 55 H ASP 55 4.227 4.426 -7.119 412 HA ASP 55 HA ASP 55 2.506 4.673 -5.669 413 1HB ASP 55 1HB ASP 55 0.745 3.974 -8.025 414 2HB ASP 55 2HB ASP 55 0.184 4.626 -6.490 415 H ALA 56 H ALA 56 3.780 2.041 -6.269 416 HA ALA 56 HA ALA 56 1.763 0.055 -5.892 417 1HB ALA 56 1HB ALA 56 3.842 -0.418 -7.104 418 2HB ALA 56 2HB ALA 56 3.603 -1.518 -5.746 419 3HB ALA 56 3HB ALA 56 4.755 -0.189 -5.612 420 H VAL 57 H VAL 57 0.896 -0.624 -4.073 421 HA VAL 57 HA VAL 57 2.429 -0.562 -1.590 422 HB VAL 57 HB VAL 57 1.130 1.589 -1.736 423 1HG1 VAL 57 1HG1 VAL 57 -1.219 -0.201 -1.263 424 2HG1 VAL 57 2HG1 VAL 57 -0.928 0.794 -2.691 425 3HG1 VAL 57 3HG1 VAL 57 -1.230 1.557 -1.130 426 1HG2 VAL 57 1HG2 VAL 57 0.646 -0.192 0.616 427 2HG2 VAL 57 2HG2 VAL 57 0.448 1.561 0.613 428 3HG2 VAL 57 3HG2 VAL 57 2.041 0.853 0.347 429 H VAL 58 H VAL 58 0.819 -1.383 0.171 430 HA VAL 58 HA VAL 58 -0.135 -3.957 -0.857 431 HB VAL 58 HB VAL 58 0.262 -4.540 1.668 432 1HG1 VAL 58 1HG1 VAL 58 2.519 -5.310 1.095 433 2HG1 VAL 58 2HG1 VAL 58 2.500 -4.262 -0.325 434 3HG1 VAL 58 3HG1 VAL 58 1.379 -5.618 -0.215 435 1HG2 VAL 58 1HG2 VAL 58 2.214 -3.392 2.592 436 2HG2 VAL 58 2HG2 VAL 58 0.842 -2.301 2.388 437 3HG2 VAL 58 3HG2 VAL 58 2.175 -2.268 1.232 438 H VAL 59 H VAL 59 -2.228 -4.423 -0.648 439 HA VAL 59 HA VAL 59 -3.781 -3.211 1.509 440 HB VAL 59 HB VAL 59 -5.690 -3.895 -0.034 441 1HG1 VAL 59 1HG1 VAL 59 -5.622 -1.751 -1.226 442 2HG1 VAL 59 2HG1 VAL 59 -3.930 -1.578 -0.761 443 3HG1 VAL 59 3HG1 VAL 59 -5.189 -1.585 0.475 444 1HG2 VAL 59 1HG2 VAL 59 -5.195 -3.822 -2.429 445 2HG2 VAL 59 2HG2 VAL 59 -4.462 -5.206 -1.616 446 3HG2 VAL 59 3HG2 VAL 59 -3.475 -3.806 -2.038 447 H THR 60 H THR 60 -5.823 -4.645 1.798 448 HA THR 60 HA THR 60 -4.891 -7.433 2.194 449 HB THR 60 HB THR 60 -6.777 -7.413 3.964 450 HG1 THR 60 HG1 THR 60 -6.463 -4.606 3.549 451 1HG2 THR 60 1HG2 THR 60 -4.414 -7.409 4.537 452 2HG2 THR 60 2HG2 THR 60 -5.328 -6.379 5.639 453 3HG2 THR 60 3HG2 THR 60 -4.365 -5.656 4.350 454 H ALA 61 H ALA 61 -7.234 -8.660 2.764 455 HA ALA 61 HA ALA 61 -7.993 -9.628 0.342 456 1HB ALA 61 1HB ALA 61 -8.321 -10.762 2.477 457 2HB ALA 61 2HB ALA 61 -9.775 -10.784 1.480 458 3HB ALA 61 3HB ALA 61 -9.658 -9.670 2.843 459 H THR 62 H THR 62 -9.905 -7.211 2.208 460 HA THR 62 HA THR 62 -12.109 -7.491 0.426 461 HB THR 62 HB THR 62 -12.622 -5.108 1.522 462 HG1 THR 62 HG1 THR 62 -11.695 -4.988 3.558 463 1HG2 THR 62 1HG2 THR 62 -12.909 -7.791 2.862 464 2HG2 THR 62 2HG2 THR 62 -13.995 -7.109 1.651 465 3HG2 THR 62 3HG2 THR 62 -13.850 -6.347 3.235 466 H GLU 63 H GLU 63 -9.514 -5.116 0.674 467 HA GLU 63 HA GLU 63 -10.451 -3.383 -1.338 468 1HB GLU 63 1HB GLU 63 -7.655 -3.989 -0.371 469 2HB GLU 63 2HB GLU 63 -8.034 -2.700 -1.506 470 1HG GLU 63 1HG GLU 63 -9.219 -2.917 1.246 471 2HG GLU 63 2HG GLU 63 -7.779 -1.973 0.859 472 H HIS 64 H HIS 64 -9.003 -6.476 -1.438 473 HA HIS 64 HA HIS 64 -7.720 -6.284 -3.936 474 1HB HIS 64 1HB HIS 64 -6.853 -8.216 -3.291 475 2HB HIS 64 2HB HIS 64 -7.858 -8.135 -1.856 476 HD1 HIS 64 HD1 HIS 64 -7.481 -9.891 -5.124 477 HD2 HIS 64 HD2 HIS 64 -10.052 -9.918 -1.847 478 HE1 HIS 64 HE1 HIS 64 -8.843 -11.986 -5.332 479 HE2 HIS 64 HE2 HIS 64 -10.231 -12.089 -3.235 480 H ALA 65 H ALA 65 -10.992 -7.469 -3.098 481 HA ALA 65 HA ALA 65 -11.361 -9.101 -5.303 482 1HB ALA 65 1HB ALA 65 -12.795 -9.066 -3.315 483 2HB ALA 65 2HB ALA 65 -13.735 -8.963 -4.802 484 3HB ALA 65 3HB ALA 65 -13.463 -7.518 -3.829 485 H GLU 66 H GLU 66 -12.836 -5.938 -4.923 486 HA GLU 66 HA GLU 66 -13.828 -5.772 -7.538 487 1HB GLU 66 1HB GLU 66 -13.731 -3.164 -6.712 488 2HB GLU 66 2HB GLU 66 -15.011 -4.300 -6.321 489 1HG GLU 66 1HG GLU 66 -13.950 -4.815 -4.191 490 2HG GLU 66 2HG GLU 66 -12.598 -3.757 -4.587 491 H ALA 67 H ALA 67 -10.998 -4.159 -6.103 492 HA ALA 67 HA ALA 67 -10.371 -2.788 -8.519 493 1HB ALA 67 1HB ALA 67 -8.411 -1.989 -7.367 494 2HB ALA 67 2HB ALA 67 -8.640 -3.186 -6.093 495 3HB ALA 67 3HB ALA 67 -9.819 -1.894 -6.310 496 H GLU 68 H GLU 68 -9.689 -5.950 -7.425 497 HA GLU 68 HA GLU 68 -7.254 -6.318 -8.909 498 1HB GLU 68 1HB GLU 68 -7.858 -7.653 -6.890 499 2HB GLU 68 2HB GLU 68 -9.136 -8.413 -7.825 500 1HG GLU 68 1HG GLU 68 -7.575 -9.478 -9.252 501 2HG GLU 68 2HG GLU 68 -6.237 -8.533 -8.593 502 H LYS 69 H LYS 69 -10.682 -7.172 -9.360 503 HA LYS 69 HA LYS 69 -10.469 -8.271 -11.918 504 1HB LYS 69 1HB LYS 69 -12.595 -8.195 -10.706 505 2HB LYS 69 2HB LYS 69 -12.625 -6.440 -10.833 506 1HG LYS 69 1HG LYS 69 -12.790 -6.612 -13.258 507 2HG LYS 69 2HG LYS 69 -12.761 -8.372 -13.136 508 1HD LYS 69 1HD LYS 69 -14.837 -8.324 -11.860 509 2HD LYS 69 2HD LYS 69 -14.856 -6.561 -11.943 510 1HE LYS 69 1HE LYS 69 -14.965 -8.428 -14.309 511 2HE LYS 69 2HE LYS 69 -16.346 -7.584 -13.609 512 1HZ LYS 69 1HZ LYS 69 -15.465 -6.448 -15.565 513 2HZ LYS 69 2HZ LYS 69 -13.964 -6.269 -14.804 514 3HZ LYS 69 3HZ LYS 69 -15.332 -5.482 -14.176 515 H ARG 70 H ARG 70 -10.831 -4.882 -10.943 516 HA ARG 70 HA ARG 70 -10.585 -3.822 -13.560 517 1HB ARG 70 1HB ARG 70 -11.558 -2.707 -11.481 518 2HB ARG 70 2HB ARG 70 -9.898 -2.351 -11.026 519 1HG ARG 70 1HG ARG 70 -9.723 -0.685 -12.503 520 2HG ARG 70 2HG ARG 70 -10.578 -1.579 -13.763 521 1HD ARG 70 1HD ARG 70 -11.807 -0.104 -11.441 522 2HD ARG 70 2HD ARG 70 -11.869 0.363 -13.141 523 HE ARG 70 HE ARG 70 -12.936 -2.206 -12.942 524 1HH1 ARG 70 1HH1 ARG 70 -13.691 1.034 -11.864 525 2HH1 ARG 70 2HH1 ARG 70 -15.410 0.755 -11.800 526 1HH2 ARG 70 1HH2 ARG 70 -15.180 -2.596 -12.844 527 2HH2 ARG 70 2HH2 ARG 70 -16.259 -1.317 -12.365 528 H ALA 71 H ALA 71 -8.273 -5.084 -11.392 529 HA ALA 71 HA ALA 71 -6.020 -3.609 -12.428 530 1HB ALA 71 1HB ALA 71 -6.080 -6.102 -10.743 531 2HB ALA 71 2HB ALA 71 -6.013 -4.447 -10.136 532 3HB ALA 71 3HB ALA 71 -4.669 -5.098 -11.072 533 H ALA 72 H ALA 72 -7.360 -6.877 -12.805 534 HA ALA 72 HA ALA 72 -5.442 -7.790 -14.649 535 1HB ALA 72 1HB ALA 72 -8.361 -8.539 -14.450 536 2HB ALA 72 2HB ALA 72 -7.030 -9.302 -13.579 537 3HB ALA 72 3HB ALA 72 -7.125 -9.435 -15.334 538 H ALA 73 H ALA 73 -8.190 -5.684 -14.929 539 HA ALA 73 HA ALA 73 -8.147 -5.591 -17.807 540 1HB ALA 73 1HB ALA 73 -9.756 -3.784 -17.577 541 2HB ALA 73 2HB ALA 73 -9.434 -3.700 -15.846 542 3HB ALA 73 3HB ALA 73 -10.189 -5.138 -16.533 543 H ARG 74 H ARG 74 -7.103 -3.326 -15.246 544 HA ARG 74 HA ARG 74 -6.037 -1.476 -17.194 545 1HB ARG 74 1HB ARG 74 -7.170 -0.733 -15.108 546 2HB ARG 74 2HB ARG 74 -5.837 -1.405 -14.179 547 1HG ARG 74 1HG ARG 74 -5.518 0.952 -14.360 548 2HG ARG 74 2HG ARG 74 -4.305 0.154 -15.361 549 1HD ARG 74 1HD ARG 74 -5.625 0.593 -17.352 550 2HD ARG 74 2HD ARG 74 -6.892 1.328 -16.370 551 HE ARG 74 HE ARG 74 -4.402 2.628 -15.931 552 1HH1 ARG 74 1HH1 ARG 74 -7.048 2.380 -18.224 553 2HH1 ARG 74 2HH1 ARG 74 -6.766 3.956 -18.914 554 1HH2 ARG 74 1HH2 ARG 74 -4.037 4.697 -16.822 555 2HH2 ARG 74 2HH2 ARG 74 -5.042 5.272 -18.121 556 H ALA 75 H ALA 75 -4.550 -3.080 -14.374 557 HA ALA 75 HA ALA 75 -1.886 -2.362 -15.086 558 1HB ALA 75 1HB ALA 75 -2.567 -2.807 -12.776 559 2HB ALA 75 2HB ALA 75 -1.213 -3.827 -13.265 560 3HB ALA 75 3HB ALA 75 -2.840 -4.502 -13.183 561 H GLY 76 H GLY 76 -3.723 -5.395 -15.316 562 1HA GLY 76 1HA GLY 76 -1.543 -6.884 -16.416 563 2HA GLY 76 2HA GLY 76 -3.216 -7.406 -16.319 564 H HIS 77 H HIS 77 -3.466 -4.550 -17.806 565 HA HIS 77 HA HIS 77 -3.880 -5.648 -20.389 566 1HB HIS 77 1HB HIS 77 -5.058 -3.629 -19.491 567 2HB HIS 77 2HB HIS 77 -3.552 -2.730 -19.650 568 HD1 HIS 77 HD1 HIS 77 -3.142 -1.627 -21.857 569 HD2 HIS 77 HD2 HIS 77 -6.095 -4.556 -22.067 570 HE1 HIS 77 HE1 HIS 77 -4.119 -1.450 -24.168 571 HE2 HIS 77 HE2 HIS 77 -5.783 -3.335 -24.331 572 H ALA 78 H ALA 78 -1.185 -4.162 -18.785 573 HA ALA 78 HA ALA 78 0.351 -3.632 -21.135 574 1HB ALA 78 1HB ALA 78 1.270 -3.916 -18.275 575 2HB ALA 78 2HB ALA 78 0.732 -2.420 -19.038 576 3HB ALA 78 3HB ALA 78 2.198 -3.221 -19.604 577 H ALA 79 H ALA 79 0.869 -6.009 -18.516 578 HA ALA 79 HA ALA 79 1.688 -7.976 -20.504 579 1HB ALA 79 1HB ALA 79 3.780 -8.466 -19.352 580 2HB ALA 79 2HB ALA 79 3.472 -7.152 -18.216 581 3HB ALA 79 3HB ALA 79 3.748 -6.798 -19.922 582 H THR 80 H THR 80 0.808 -9.860 -20.036 583 HA THR 80 HA THR 80 0.729 -10.820 -17.318 584 HB THR 80 HB THR 80 -1.431 -9.646 -17.479 585 HG1 THR 80 HG1 THR 80 -1.745 -12.483 -17.536 586 1HG2 THR 80 1HG2 THR 80 -3.180 -10.443 -19.002 587 2HG2 THR 80 2HG2 THR 80 -2.020 -11.532 -19.762 588 3HG2 THR 80 3HG2 THR 80 -1.802 -9.787 -19.885 Start of MODEL 9 1 H MET 1 H MET 1 9.753 1.203 0.122 2 HA MET 1 HA MET 1 7.368 0.893 0.057 3 1HB MET 1 1HB MET 1 7.408 1.457 -2.498 4 2HB MET 1 2HB MET 1 7.715 -0.260 -2.703 5 1HG MET 1 1HG MET 1 5.358 0.801 -1.177 6 2HG MET 1 2HG MET 1 5.321 0.503 -2.911 7 1HE MET 1 1HE MET 1 6.945 -2.082 -3.359 8 2HE MET 1 2HE MET 1 5.325 -1.854 -4.021 9 3HE MET 1 3HE MET 1 5.726 -3.341 -3.158 10 H HIS 2 H HIS 2 6.721 -1.084 0.887 11 HA HIS 2 HA HIS 2 8.446 -3.405 0.375 12 1HB HIS 2 1HB HIS 2 9.233 -2.133 2.438 13 2HB HIS 2 2HB HIS 2 7.694 -2.551 3.181 14 HD1 HIS 2 HD1 HIS 2 7.457 -4.919 4.133 15 HD2 HIS 2 HD2 HIS 2 10.991 -4.333 2.023 16 HE1 HIS 2 HE1 HIS 2 8.869 -6.944 4.599 17 HE2 HIS 2 HE2 HIS 2 11.050 -6.515 3.411 18 H ALA 3 H ALA 3 7.358 -5.326 0.408 19 HA ALA 3 HA ALA 3 4.567 -5.322 1.293 20 1HB ALA 3 1HB ALA 3 5.459 -6.188 -1.456 21 2HB ALA 3 2HB ALA 3 4.527 -4.739 -1.080 22 3HB ALA 3 3HB ALA 3 3.826 -6.334 -0.803 23 H LYS 4 H LYS 4 3.650 -7.624 1.013 24 HA LYS 4 HA LYS 4 5.679 -9.661 1.566 25 1HB LYS 4 1HB LYS 4 4.998 -8.738 3.735 26 2HB LYS 4 2HB LYS 4 3.310 -9.023 3.343 27 1HG LYS 4 1HG LYS 4 3.687 -11.418 3.358 28 2HG LYS 4 2HG LYS 4 5.404 -11.162 3.674 29 1HD LYS 4 1HD LYS 4 4.887 -10.136 5.808 30 2HD LYS 4 2HD LYS 4 3.159 -10.278 5.484 31 1HE LYS 4 1HE LYS 4 3.343 -12.701 5.469 32 2HE LYS 4 2HE LYS 4 5.083 -12.588 5.723 33 1HZ LYS 4 1HZ LYS 4 3.833 -13.068 7.767 34 2HZ LYS 4 2HZ LYS 4 3.037 -11.577 7.624 35 3HZ LYS 4 3HZ LYS 4 4.713 -11.621 7.871 36 H VAL 5 H VAL 5 4.922 -11.824 1.266 37 HA VAL 5 HA VAL 5 2.893 -12.177 -0.717 38 HB VAL 5 HB VAL 5 4.456 -14.107 1.031 39 1HG1 VAL 5 1HG1 VAL 5 3.540 -15.960 -0.270 40 2HG1 VAL 5 2HG1 VAL 5 2.471 -14.843 -1.118 41 3HG1 VAL 5 3HG1 VAL 5 2.266 -15.116 0.611 42 1HG2 VAL 5 1HG2 VAL 5 5.703 -13.025 -0.740 43 2HG2 VAL 5 2HG2 VAL 5 4.514 -13.568 -1.925 44 3HG2 VAL 5 3HG2 VAL 5 5.509 -14.747 -1.072 45 H GLY 6 H GLY 6 0.813 -13.031 -0.467 46 1HA GLY 6 1HA GLY 6 -1.110 -13.675 0.739 47 2HA GLY 6 2HA GLY 6 -0.234 -13.393 2.241 48 H ASP 7 H ASP 7 0.098 -11.087 -0.178 49 HA ASP 7 HA ASP 7 -1.993 -9.237 0.962 50 1HB ASP 7 1HB ASP 7 0.998 -8.784 0.806 51 2HB ASP 7 2HB ASP 7 -0.136 -7.441 0.721 52 H TYR 8 H TYR 8 -1.579 -7.136 -0.396 53 HA TYR 8 HA TYR 8 -1.787 -7.983 -3.211 54 1HB TYR 8 1HB TYR 8 -3.827 -6.402 -1.617 55 2HB TYR 8 2HB TYR 8 -3.882 -6.621 -3.355 56 HD1 TYR 8 HD1 TYR 8 -4.725 -8.636 -4.315 57 HD2 TYR 8 HD2 TYR 8 -4.355 -8.280 -0.094 58 HE1 TYR 8 HE1 TYR 8 -6.199 -10.591 -4.035 59 HE2 TYR 8 HE2 TYR 8 -5.818 -10.244 0.186 60 HH TYR 8 HH TYR 8 -6.517 -12.384 -2.154 61 H LEU 9 H LEU 9 -2.132 -5.975 -4.599 62 HA LEU 9 HA LEU 9 -0.410 -3.805 -3.636 63 1HB LEU 9 1HB LEU 9 1.034 -5.560 -4.562 64 2HB LEU 9 2HB LEU 9 0.101 -5.577 -6.039 65 HG LEU 9 HG LEU 9 1.632 -3.120 -5.185 66 1HD1 LEU 9 1HD1 LEU 9 3.190 -5.007 -5.240 67 2HD1 LEU 9 2HD1 LEU 9 3.473 -3.891 -6.577 68 3HD1 LEU 9 3HD1 LEU 9 2.633 -5.416 -6.861 69 1HD2 LEU 9 1HD2 LEU 9 1.603 -2.649 -7.580 70 2HD2 LEU 9 2HD2 LEU 9 -0.037 -2.848 -6.961 71 3HD2 LEU 9 3HD2 LEU 9 0.725 -4.151 -7.874 72 H VAL 10 H VAL 10 -0.830 -1.881 -4.557 73 HA VAL 10 HA VAL 10 -2.559 -1.734 -6.925 74 HB VAL 10 HB VAL 10 -3.057 -0.080 -4.432 75 1HG1 VAL 10 1HG1 VAL 10 -5.109 0.601 -5.584 76 2HG1 VAL 10 2HG1 VAL 10 -4.609 -0.322 -7.002 77 3HG1 VAL 10 3HG1 VAL 10 -3.661 1.070 -6.475 78 1HG2 VAL 10 1HG2 VAL 10 -4.646 -2.400 -5.512 79 2HG2 VAL 10 2HG2 VAL 10 -5.138 -1.347 -4.185 80 3HG2 VAL 10 3HG2 VAL 10 -3.714 -2.375 -4.014 81 H VAL 11 H VAL 11 -2.386 0.359 -8.026 82 HA VAL 11 HA VAL 11 -0.259 2.129 -7.039 83 HB VAL 11 HB VAL 11 0.661 0.521 -8.771 84 1HG1 VAL 11 1HG1 VAL 11 -1.112 2.110 -10.613 85 2HG1 VAL 11 2HG1 VAL 11 -1.289 0.401 -10.217 86 3HG1 VAL 11 3HG1 VAL 11 0.124 0.957 -11.113 87 1HG2 VAL 11 1HG2 VAL 11 1.881 2.253 -9.998 88 2HG2 VAL 11 2HG2 VAL 11 1.766 2.627 -8.278 89 3HG2 VAL 11 3HG2 VAL 11 0.725 3.460 -9.433 90 H LYS 12 H LYS 12 -0.300 4.255 -8.295 91 HA LYS 12 HA LYS 12 -3.055 5.100 -8.514 92 1HB LYS 12 1HB LYS 12 -1.284 6.412 -7.306 93 2HB LYS 12 2HB LYS 12 -0.564 6.763 -8.869 94 1HG LYS 12 1HG LYS 12 -2.419 8.059 -9.543 95 2HG LYS 12 2HG LYS 12 -3.405 7.475 -8.198 96 1HD LYS 12 1HD LYS 12 -0.903 9.143 -7.918 97 2HD LYS 12 2HD LYS 12 -2.553 9.767 -7.830 98 1HE LYS 12 1HE LYS 12 -3.010 8.440 -5.879 99 2HE LYS 12 2HE LYS 12 -1.457 7.619 -6.017 100 1HZ LYS 12 1HZ LYS 12 -1.561 9.409 -4.315 101 2HZ LYS 12 2HZ LYS 12 -1.719 10.540 -5.564 102 3HZ LYS 12 3HZ LYS 12 -0.317 9.597 -5.445 103 H GLY 13 H GLY 13 -3.366 3.708 -10.438 104 1HA GLY 13 1HA GLY 13 -2.397 4.801 -12.944 105 2HA GLY 13 2HA GLY 13 -3.562 3.494 -12.751 106 H THR 14 H THR 14 -4.847 5.431 -10.735 107 HA THR 14 HA THR 14 -5.835 7.616 -12.290 108 HB THR 14 HB THR 14 -7.308 5.938 -13.220 109 HG1 THR 14 HG1 THR 14 -8.968 7.223 -12.975 110 1HG2 THR 14 1HG2 THR 14 -7.080 4.226 -11.482 111 2HG2 THR 14 2HG2 THR 14 -8.777 4.557 -11.837 112 3HG2 THR 14 3HG2 THR 14 -8.037 5.217 -10.379 113 H THR 15 H THR 15 -6.439 9.233 -10.936 114 HA THR 15 HA THR 15 -6.204 8.711 -8.086 115 HB THR 15 HB THR 15 -6.582 11.370 -9.477 116 HG1 THR 15 HG1 THR 15 -4.234 11.490 -9.137 117 1HG2 THR 15 1HG2 THR 15 -5.604 12.289 -7.423 118 2HG2 THR 15 2HG2 THR 15 -5.520 10.666 -6.738 119 3HG2 THR 15 3HG2 THR 15 -7.088 11.397 -7.082 120 H THR 16 H THR 16 -8.603 9.768 -10.434 121 HA THR 16 HA THR 16 -10.506 10.598 -8.478 122 HB THR 16 HB THR 16 -12.067 10.492 -10.554 123 HG1 THR 16 HG1 THR 16 -10.721 10.667 -12.513 124 1HG2 THR 16 1HG2 THR 16 -11.172 12.562 -9.588 125 2HG2 THR 16 2HG2 THR 16 -11.187 12.636 -11.350 126 3HG2 THR 16 3HG2 THR 16 -9.674 12.339 -10.494 127 H GLU 17 H GLU 17 -9.862 7.621 -10.210 128 HA GLU 17 HA GLU 17 -12.329 6.433 -9.183 129 1HB GLU 17 1HB GLU 17 -11.476 6.150 -11.594 130 2HB GLU 17 2HB GLU 17 -10.283 5.052 -10.915 131 1HG GLU 17 1HG GLU 17 -11.922 3.516 -10.234 132 2HG GLU 17 2HG GLU 17 -13.224 4.685 -10.451 133 H ARG 18 H ARG 18 -10.318 7.204 -7.359 134 HA ARG 18 HA ARG 18 -9.629 6.468 -5.327 135 1HB ARG 18 1HB ARG 18 -11.494 4.817 -5.466 136 2HB ARG 18 2HB ARG 18 -10.384 3.681 -6.215 137 1HG ARG 18 1HG ARG 18 -10.429 3.022 -3.990 138 2HG ARG 18 2HG ARG 18 -8.957 3.986 -4.101 139 1HD ARG 18 1HD ARG 18 -11.623 4.995 -3.110 140 2HD ARG 18 2HD ARG 18 -10.296 4.475 -2.076 141 HE ARG 18 HE ARG 18 -9.002 6.347 -3.038 142 1HH1 ARG 18 1HH1 ARG 18 -12.503 6.419 -3.204 143 2HH1 ARG 18 2HH1 ARG 18 -12.581 8.151 -3.333 144 1HH2 ARG 18 1HH2 ARG 18 -9.116 8.639 -3.184 145 2HH2 ARG 18 2HH2 ARG 18 -10.669 9.408 -3.318 146 H HIS 19 H HIS 19 -8.790 3.705 -7.403 147 HA HIS 19 HA HIS 19 -6.050 4.338 -7.666 148 1HB HIS 19 1HB HIS 19 -6.815 3.003 -5.194 149 2HB HIS 19 2HB HIS 19 -5.717 2.008 -6.140 150 HD1 HIS 19 HD1 HIS 19 -5.437 4.105 -3.427 151 HD2 HIS 19 HD2 HIS 19 -3.529 4.093 -7.125 152 HE1 HIS 19 HE1 HIS 19 -3.271 5.337 -3.081 153 HE2 HIS 19 HE2 HIS 19 -2.050 5.166 -5.286 154 H ASP 20 H ASP 20 -4.852 2.354 -8.605 155 HA ASP 20 HA ASP 20 -6.740 0.638 -10.052 156 1HB ASP 20 1HB ASP 20 -6.597 2.578 -11.450 157 2HB ASP 20 2HB ASP 20 -4.847 2.636 -11.295 158 H GLN 21 H GLN 21 -5.536 -0.957 -11.473 159 HA GLN 21 HA GLN 21 -4.194 -2.772 -11.602 160 1HB GLN 21 1HB GLN 21 -2.106 -0.841 -10.583 161 2HB GLN 21 2HB GLN 21 -1.761 -2.435 -11.245 162 1HG GLN 21 1HG GLN 21 -2.747 -1.764 -13.377 163 2HG GLN 21 2HG GLN 21 -3.086 -0.166 -12.717 164 1HE2 GLN 21 1HE2 GLN 21 -1.839 0.877 -14.224 165 2HE2 GLN 21 2HE2 GLN 21 -0.107 0.810 -14.227 166 H HIS 22 H HIS 22 -4.767 -4.378 -10.263 167 HA HIS 22 HA HIS 22 -3.755 -4.323 -7.515 168 1HB HIS 22 1HB HIS 22 -6.098 -3.408 -7.567 169 2HB HIS 22 2HB HIS 22 -6.635 -4.982 -8.141 170 HD1 HIS 22 HD1 HIS 22 -6.939 -3.275 -5.246 171 HD2 HIS 22 HD2 HIS 22 -5.175 -6.950 -6.040 172 HE1 HIS 22 HE1 HIS 22 -6.953 -4.517 -3.062 173 HE2 HIS 22 HE2 HIS 22 -5.870 -6.737 -3.568 174 H ALA 23 H ALA 23 -2.899 -6.135 -6.946 175 HA ALA 23 HA ALA 23 -3.740 -8.737 -8.052 176 1HB ALA 23 1HB ALA 23 -0.879 -7.780 -7.925 177 2HB ALA 23 2HB ALA 23 -1.832 -7.971 -9.396 178 3HB ALA 23 3HB ALA 23 -1.431 -9.381 -8.416 179 H GLU 24 H GLU 24 -2.355 -10.467 -6.867 180 HA GLU 24 HA GLU 24 -1.764 -9.653 -4.094 181 1HB GLU 24 1HB GLU 24 -3.929 -10.827 -3.987 182 2HB GLU 24 2HB GLU 24 -3.250 -12.178 -4.888 183 1HG GLU 24 1HG GLU 24 -1.525 -12.314 -2.976 184 2HG GLU 24 2HG GLU 24 -2.654 -11.306 -2.080 185 H ILE 25 H ILE 25 0.111 -10.220 -3.530 186 HA ILE 25 HA ILE 25 1.745 -11.719 -5.373 187 HB ILE 25 HB ILE 25 3.232 -10.929 -3.082 188 1HG1 ILE 25 1HG1 ILE 25 1.514 -8.711 -4.231 189 2HG1 ILE 25 2HG1 ILE 25 1.383 -9.363 -2.600 190 1HG2 ILE 25 1HG2 ILE 25 3.108 -9.830 -5.886 191 2HG2 ILE 25 2HG2 ILE 25 4.115 -11.166 -5.326 192 3HG2 ILE 25 3HG2 ILE 25 4.405 -9.533 -4.729 193 1HD1 ILE 25 1HD1 ILE 25 3.630 -8.560 -2.102 194 2HD1 ILE 25 2HD1 ILE 25 2.571 -7.248 -2.619 195 3HD1 ILE 25 3HD1 ILE 25 3.762 -7.913 -3.737 196 H ILE 26 H ILE 26 1.759 -13.796 -5.196 197 HA ILE 26 HA ILE 26 1.956 -15.010 -2.536 198 HB ILE 26 HB ILE 26 1.685 -17.179 -4.019 199 1HG1 ILE 26 1HG1 ILE 26 -0.091 -16.623 -5.806 200 2HG1 ILE 26 2HG1 ILE 26 0.534 -14.981 -5.738 201 1HG2 ILE 26 1HG2 ILE 26 -0.728 -17.074 -3.605 202 2HG2 ILE 26 2HG2 ILE 26 -0.586 -15.345 -3.282 203 3HG2 ILE 26 3HG2 ILE 26 0.213 -16.508 -2.224 204 1HD1 ILE 26 1HD1 ILE 26 1.493 -16.209 -7.586 205 2HD1 ILE 26 2HD1 ILE 26 2.093 -17.444 -6.479 206 3HD1 ILE 26 3HD1 ILE 26 2.737 -15.803 -6.403 207 H GLU 27 H GLU 27 3.753 -13.907 -5.042 208 HA GLU 27 HA GLU 27 6.074 -15.305 -3.968 209 1HB GLU 27 1HB GLU 27 5.084 -15.827 -6.522 210 2HB GLU 27 2HB GLU 27 6.406 -14.699 -6.792 211 1HG GLU 27 1HG GLU 27 6.614 -17.269 -5.241 212 2HG GLU 27 2HG GLU 27 7.100 -17.054 -6.920 213 H VAL 28 H VAL 28 7.576 -13.934 -3.365 214 HA VAL 28 HA VAL 28 7.575 -11.207 -4.414 215 HB VAL 28 HB VAL 28 7.409 -11.922 -1.482 216 1HG1 VAL 28 1HG1 VAL 28 9.074 -10.172 -1.785 217 2HG1 VAL 28 2HG1 VAL 28 7.617 -9.516 -1.038 218 3HG1 VAL 28 3HG1 VAL 28 7.933 -9.232 -2.749 219 1HG2 VAL 28 1HG2 VAL 28 5.438 -10.465 -1.495 220 2HG2 VAL 28 2HG2 VAL 28 5.250 -11.828 -2.598 221 3HG2 VAL 28 3HG2 VAL 28 5.632 -10.227 -3.232 222 H ARG 29 H ARG 29 9.589 -11.337 -5.317 223 HA ARG 29 HA ARG 29 11.762 -12.548 -3.749 224 1HB ARG 29 1HB ARG 29 11.203 -13.426 -6.059 225 2HB ARG 29 2HB ARG 29 11.751 -11.884 -6.698 226 1HG ARG 29 1HG ARG 29 13.973 -12.309 -5.695 227 2HG ARG 29 2HG ARG 29 13.401 -13.900 -5.190 228 1HD ARG 29 1HD ARG 29 14.616 -14.149 -7.238 229 2HD ARG 29 2HD ARG 29 12.903 -14.409 -7.571 230 HE ARG 29 HE ARG 29 14.163 -11.804 -8.096 231 1HH1 ARG 29 1HH1 ARG 29 12.303 -14.563 -9.170 232 2HH1 ARG 29 2HH1 ARG 29 12.055 -13.934 -10.773 233 1HH2 ARG 29 1HH2 ARG 29 13.843 -10.961 -10.186 234 2HH2 ARG 29 2HH2 ARG 29 12.932 -11.880 -11.358 235 H SER 30 H SER 30 10.445 -9.655 -4.435 236 HA SER 30 HA SER 30 12.597 -8.016 -5.161 237 1HB SER 30 1HB SER 30 10.181 -7.209 -3.541 238 2HB SER 30 2HB SER 30 11.133 -6.203 -4.634 239 HG SER 30 HG SER 30 10.045 -6.953 -6.268 240 H ALA 31 H ALA 31 11.632 -9.381 -2.138 241 HA ALA 31 HA ALA 31 12.422 -9.285 -0.020 242 1HB ALA 31 1HB ALA 31 14.590 -9.735 -1.075 243 2HB ALA 31 2HB ALA 31 14.756 -8.710 0.351 244 3HB ALA 31 3HB ALA 31 14.854 -8.001 -1.260 245 H ASP 32 H ASP 32 14.061 -6.336 -1.058 246 HA ASP 32 HA ASP 32 12.928 -4.796 1.054 247 1HB ASP 32 1HB ASP 32 14.741 -4.263 -1.247 248 2HB ASP 32 2HB ASP 32 13.925 -2.885 -0.518 249 H GLY 33 H GLY 33 12.383 -4.988 -2.431 250 1HA GLY 33 1HA GLY 33 9.743 -4.641 -2.620 251 2HA GLY 33 2HA GLY 33 10.275 -2.995 -2.296 252 H SER 34 H SER 34 9.269 -2.664 -4.417 253 HA SER 34 HA SER 34 9.438 -1.986 -6.549 254 1HB SER 34 1HB SER 34 11.564 -1.553 -7.567 255 2HB SER 34 2HB SER 34 11.707 -1.175 -5.854 256 HG SER 34 HG SER 34 12.420 -3.647 -5.987 257 HA PRO 35 HA PRO 35 8.753 -5.501 -9.083 258 1HB PRO 35 1HB PRO 35 9.680 -3.969 -11.427 259 2HB PRO 35 2HB PRO 35 8.082 -4.635 -11.082 260 1HG PRO 35 1HG PRO 35 8.545 -1.999 -10.987 261 2HG PRO 35 2HG PRO 35 7.429 -2.789 -9.856 262 1HD PRO 35 1HD PRO 35 10.255 -1.897 -9.416 263 2HD PRO 35 2HD PRO 35 8.848 -1.751 -8.342 264 HA PRO 36 HA PRO 36 8.696 -6.656 -11.053 265 1HB PRO 36 1HB PRO 36 9.113 -9.214 -11.681 266 2HB PRO 36 2HB PRO 36 9.742 -7.908 -12.694 267 1HG PRO 36 1HG PRO 36 11.165 -9.593 -10.674 268 2HG PRO 36 2HG PRO 36 11.714 -9.055 -12.272 269 1HD PRO 36 1HD PRO 36 12.406 -7.855 -9.886 270 2HD PRO 36 2HD PRO 36 12.448 -7.055 -11.469 271 H TYR 37 H TYR 37 7.221 -8.527 -10.568 272 HA TYR 37 HA TYR 37 7.629 -9.777 -7.950 273 1HB TYR 37 1HB TYR 37 5.221 -8.167 -8.816 274 2HB TYR 37 2HB TYR 37 5.154 -9.344 -7.511 275 HD1 TYR 37 HD1 TYR 37 6.343 -8.928 -5.408 276 HD2 TYR 37 HD2 TYR 37 6.256 -6.017 -8.508 277 HE1 TYR 37 HE1 TYR 37 7.070 -7.213 -3.807 278 HE2 TYR 37 HE2 TYR 37 6.987 -4.291 -6.914 279 HH TYR 37 HH TYR 37 8.211 -5.058 -3.841 280 H VAL 38 H VAL 38 5.831 -11.490 -7.660 281 HA VAL 38 HA VAL 38 4.875 -12.468 -10.256 282 HB VAL 38 HB VAL 38 6.231 -14.242 -8.201 283 1HG1 VAL 38 1HG1 VAL 38 4.846 -14.937 -10.799 284 2HG1 VAL 38 2HG1 VAL 38 4.256 -15.304 -9.178 285 3HG1 VAL 38 3HG1 VAL 38 5.729 -16.070 -9.774 286 1HG2 VAL 38 1HG2 VAL 38 7.809 -14.751 -10.003 287 2HG2 VAL 38 2HG2 VAL 38 7.824 -13.031 -9.609 288 3HG2 VAL 38 3HG2 VAL 38 6.986 -13.598 -11.054 289 H VAL 39 H VAL 39 2.834 -12.928 -10.136 290 HA VAL 39 HA VAL 39 1.633 -12.504 -7.520 291 HB VAL 39 HB VAL 39 2.406 -10.441 -9.198 292 1HG1 VAL 39 1HG1 VAL 39 -0.557 -10.802 -9.532 293 2HG1 VAL 39 2HG1 VAL 39 0.668 -10.898 -10.797 294 3HG1 VAL 39 3HG1 VAL 39 0.362 -9.366 -9.980 295 1HG2 VAL 39 1HG2 VAL 39 0.307 -10.421 -7.052 296 2HG2 VAL 39 2HG2 VAL 39 1.117 -8.995 -7.704 297 3HG2 VAL 39 3HG2 VAL 39 2.048 -10.221 -6.844 298 H ARG 40 H ARG 40 -0.820 -12.283 -7.900 299 HA ARG 40 HA ARG 40 -1.633 -14.100 -10.036 300 1HB ARG 40 1HB ARG 40 -1.045 -15.299 -7.872 301 2HB ARG 40 2HB ARG 40 -2.391 -14.452 -7.133 302 1HG ARG 40 1HG ARG 40 -3.940 -15.553 -8.638 303 2HG ARG 40 2HG ARG 40 -2.593 -16.369 -9.442 304 1HD ARG 40 1HD ARG 40 -1.995 -17.461 -7.339 305 2HD ARG 40 2HD ARG 40 -3.329 -16.643 -6.529 306 HE ARG 40 HE ARG 40 -3.760 -18.551 -8.734 307 1HH1 ARG 40 1HH1 ARG 40 -4.419 -17.394 -5.492 308 2HH1 ARG 40 2HH1 ARG 40 -5.730 -18.503 -5.226 309 1HH2 ARG 40 1HH2 ARG 40 -5.466 -20.028 -8.382 310 2HH2 ARG 40 2HH2 ARG 40 -6.309 -20.025 -6.858 311 H TRP 41 H TRP 41 -3.305 -13.214 -11.035 312 HA TRP 41 HA TRP 41 -4.905 -11.161 -9.782 313 1HB TRP 41 1HB TRP 41 -5.629 -12.608 -12.333 314 2HB TRP 41 2HB TRP 41 -6.058 -10.975 -11.851 315 HD1 TRP 41 HD1 TRP 41 -3.946 -12.654 -14.215 316 HE1 TRP 41 HE1 TRP 41 -2.024 -11.163 -15.044 317 HE3 TRP 41 HE3 TRP 41 -4.117 -9.028 -10.619 318 HZ2 TRP 41 HZ2 TRP 41 -0.748 -8.781 -14.278 319 HZ3 TRP 41 HZ3 TRP 41 -2.504 -7.178 -10.747 320 HH2 TRP 41 HH2 TRP 41 -0.856 -7.058 -12.539 321 H LEU 42 H LEU 42 -5.782 -12.206 -7.990 322 HA LEU 42 HA LEU 42 -6.449 -14.951 -7.998 323 1HB LEU 42 1HB LEU 42 -7.799 -13.072 -6.124 324 2HB LEU 42 2HB LEU 42 -7.231 -14.702 -5.840 325 HG LEU 42 HG LEU 42 -5.563 -12.209 -6.029 326 1HD1 LEU 42 1HD1 LEU 42 -6.816 -12.478 -3.986 327 2HD1 LEU 42 2HD1 LEU 42 -5.097 -12.751 -3.696 328 3HD1 LEU 42 3HD1 LEU 42 -6.203 -14.121 -3.803 329 1HD2 LEU 42 1HD2 LEU 42 -4.373 -14.091 -7.042 330 2HD2 LEU 42 2HD2 LEU 42 -4.682 -15.062 -5.601 331 3HD2 LEU 42 3HD2 LEU 42 -3.659 -13.629 -5.498 332 H VAL 43 H VAL 43 -8.681 -12.257 -7.550 333 HA VAL 43 HA VAL 43 -10.972 -13.833 -7.769 334 HB VAL 43 HB VAL 43 -12.038 -11.462 -8.221 335 1HG1 VAL 43 1HG1 VAL 43 -12.237 -12.758 -6.150 336 2HG1 VAL 43 2HG1 VAL 43 -11.964 -11.050 -5.802 337 3HG1 VAL 43 3HG1 VAL 43 -10.639 -12.202 -5.654 338 1HG2 VAL 43 1HG2 VAL 43 -9.938 -10.319 -8.751 339 2HG2 VAL 43 2HG2 VAL 43 -9.288 -10.780 -7.177 340 3HG2 VAL 43 3HG2 VAL 43 -10.650 -9.666 -7.275 341 H ASN 44 H ASN 44 -9.271 -11.883 -10.154 342 HA ASN 44 HA ASN 44 -10.954 -12.373 -12.332 343 1HB ASN 44 1HB ASN 44 -7.970 -11.917 -12.235 344 2HB ASN 44 2HB ASN 44 -8.913 -11.946 -13.724 345 1HD2 ASN 44 1HD2 ASN 44 -8.212 -10.196 -10.809 346 2HD2 ASN 44 2HD2 ASN 44 -8.987 -8.723 -11.269 347 H GLY 45 H GLY 45 -8.060 -14.161 -11.262 348 1HA GLY 45 1HA GLY 45 -8.143 -16.567 -11.117 349 2HA GLY 45 2HA GLY 45 -9.205 -16.571 -12.514 350 H HIS 46 H HIS 46 -6.025 -15.006 -11.945 351 HA HIS 46 HA HIS 46 -4.865 -16.748 -14.008 352 1HB HIS 46 1HB HIS 46 -4.844 -13.732 -14.067 353 2HB HIS 46 2HB HIS 46 -3.645 -14.689 -14.922 354 HD1 HIS 46 HD1 HIS 46 -4.250 -15.447 -17.217 355 HD2 HIS 46 HD2 HIS 46 -7.566 -14.187 -15.043 356 HE1 HIS 46 HE1 HIS 46 -6.169 -15.452 -18.842 357 HE2 HIS 46 HE2 HIS 46 -8.142 -14.576 -17.540 358 H GLU 47 H GLU 47 -2.411 -16.415 -14.133 359 HA GLU 47 HA GLU 47 -1.223 -15.648 -11.551 360 1HB GLU 47 1HB GLU 47 -1.697 -18.085 -11.480 361 2HB GLU 47 2HB GLU 47 -0.734 -18.302 -12.929 362 1HG GLU 47 1HG GLU 47 0.493 -17.065 -10.507 363 2HG GLU 47 2HG GLU 47 0.269 -18.810 -10.590 364 H THR 48 H THR 48 0.543 -14.405 -11.889 365 HA THR 48 HA THR 48 1.754 -14.420 -14.554 366 HB THR 48 HB THR 48 -0.214 -12.913 -14.519 367 HG1 THR 48 HG1 THR 48 0.759 -11.550 -15.858 368 1HG2 THR 48 1HG2 THR 48 -0.026 -12.073 -12.252 369 2HG2 THR 48 2HG2 THR 48 -0.016 -10.743 -13.410 370 3HG2 THR 48 3HG2 THR 48 1.492 -11.281 -12.670 371 H THR 49 H THR 49 3.277 -12.490 -14.698 372 HA THR 49 HA THR 49 4.769 -11.914 -12.236 373 HB THR 49 HB THR 49 6.087 -12.762 -14.839 374 HG1 THR 49 HG1 THR 49 5.044 -14.356 -13.161 375 1HG2 THR 49 1HG2 THR 49 7.294 -12.080 -12.150 376 2HG2 THR 49 2HG2 THR 49 7.391 -11.094 -13.608 377 3HG2 THR 49 3HG2 THR 49 8.183 -12.669 -13.555 378 H VAL 50 H VAL 50 4.867 -9.692 -12.132 379 HA VAL 50 HA VAL 50 4.540 -8.214 -14.652 380 HB VAL 50 HB VAL 50 2.656 -6.885 -13.621 381 1HG1 VAL 50 1HG1 VAL 50 2.297 -8.463 -15.432 382 2HG1 VAL 50 2HG1 VAL 50 0.950 -8.507 -14.294 383 3HG1 VAL 50 3HG1 VAL 50 2.165 -9.785 -14.274 384 1HG2 VAL 50 1HG2 VAL 50 1.310 -8.028 -11.912 385 2HG2 VAL 50 2HG2 VAL 50 2.915 -7.605 -11.315 386 3HG2 VAL 50 3HG2 VAL 50 2.555 -9.269 -11.775 387 H TYR 51 H TYR 51 4.058 -5.787 -14.016 388 HA TYR 51 HA TYR 51 5.991 -4.893 -12.003 389 1HB TYR 51 1HB TYR 51 5.951 -3.897 -14.871 390 2HB TYR 51 2HB TYR 51 7.044 -3.373 -13.598 391 HD1 TYR 51 HD1 TYR 51 6.186 -6.190 -15.840 392 HD2 TYR 51 HD2 TYR 51 9.027 -4.586 -13.111 393 HE1 TYR 51 HE1 TYR 51 7.815 -7.892 -16.549 394 HE2 TYR 51 HE2 TYR 51 10.662 -6.281 -13.812 395 HH TYR 51 HH TYR 51 10.258 -8.228 -16.573 396 HA PRO 52 HA PRO 52 2.342 -2.144 -11.578 397 1HB PRO 52 1HB PRO 52 2.976 -1.318 -9.091 398 2HB PRO 52 2HB PRO 52 2.242 -2.896 -9.395 399 1HG PRO 52 1HG PRO 52 5.117 -2.210 -8.905 400 2HG PRO 52 2HG PRO 52 4.152 -3.532 -8.220 401 1HD PRO 52 1HD PRO 52 5.859 -3.885 -10.299 402 2HD PRO 52 2HD PRO 52 4.375 -4.839 -10.103 403 H GLY 53 H GLY 53 2.498 0.238 -10.372 404 1HA GLY 53 1HA GLY 53 4.593 1.664 -11.858 405 2HA GLY 53 2HA GLY 53 3.116 2.377 -11.225 406 H SER 54 H SER 54 4.682 4.042 -10.455 407 HA SER 54 HA SER 54 6.305 3.187 -8.179 408 1HB SER 54 1HB SER 54 6.238 5.822 -9.658 409 2HB SER 54 2HB SER 54 7.344 5.425 -8.342 410 HG SER 54 HG SER 54 7.197 4.291 -10.936 411 H ASP 55 H ASP 55 3.324 3.623 -8.249 412 HA ASP 55 HA ASP 55 3.256 5.117 -5.706 413 1HB ASP 55 1HB ASP 55 1.934 6.208 -7.604 414 2HB ASP 55 2HB ASP 55 0.883 4.796 -7.565 415 H ALA 56 H ALA 56 4.036 2.535 -6.028 416 HA ALA 56 HA ALA 56 1.977 0.627 -5.887 417 1HB ALA 56 1HB ALA 56 4.852 0.350 -5.025 418 2HB ALA 56 2HB ALA 56 4.222 0.062 -6.647 419 3HB ALA 56 3HB ALA 56 3.714 -0.968 -5.309 420 H VAL 57 H VAL 57 0.955 -0.280 -4.241 421 HA VAL 57 HA VAL 57 1.510 0.522 -1.465 422 HB VAL 57 HB VAL 57 -1.316 0.519 -2.504 423 1HG1 VAL 57 1HG1 VAL 57 -0.999 0.446 -0.096 424 2HG1 VAL 57 2HG1 VAL 57 -1.720 1.980 -0.579 425 3HG1 VAL 57 3HG1 VAL 57 -0.008 1.903 -0.165 426 1HG2 VAL 57 1HG2 VAL 57 0.483 2.940 -2.465 427 2HG2 VAL 57 2HG2 VAL 57 -1.257 2.955 -2.758 428 3HG2 VAL 57 3HG2 VAL 57 -0.176 2.155 -3.900 429 H VAL 58 H VAL 58 -0.273 -0.721 -0.157 430 HA VAL 58 HA VAL 58 -0.395 -3.485 -1.143 431 HB VAL 58 HB VAL 58 0.683 -2.686 1.575 432 1HG1 VAL 58 1HG1 VAL 58 -0.566 -4.766 1.661 433 2HG1 VAL 58 2HG1 VAL 58 1.160 -5.073 1.855 434 3HG1 VAL 58 3HG1 VAL 58 0.374 -5.406 0.311 435 1HG2 VAL 58 1HG2 VAL 58 2.124 -3.881 -0.791 436 2HG2 VAL 58 2HG2 VAL 58 2.818 -3.611 0.808 437 3HG2 VAL 58 3HG2 VAL 58 2.313 -2.238 -0.178 438 H VAL 59 H VAL 59 -2.114 -4.610 -0.474 439 HA VAL 59 HA VAL 59 -4.075 -3.337 1.275 440 HB VAL 59 HB VAL 59 -5.623 -4.292 -0.720 441 1HG1 VAL 59 1HG1 VAL 59 -4.457 -1.519 -0.564 442 2HG1 VAL 59 2HG1 VAL 59 -5.847 -2.108 0.347 443 3HG1 VAL 59 3HG1 VAL 59 -5.941 -1.964 -1.408 444 1HG2 VAL 59 1HG2 VAL 59 -4.704 -3.476 -2.849 445 2HG2 VAL 59 2HG2 VAL 59 -3.777 -4.815 -2.175 446 3HG2 VAL 59 3HG2 VAL 59 -3.170 -3.165 -2.038 447 H THR 60 H THR 60 -6.068 -4.875 1.236 448 HA THR 60 HA THR 60 -5.001 -7.569 1.884 449 HB THR 60 HB THR 60 -5.519 -6.014 3.821 450 HG1 THR 60 HG1 THR 60 -6.848 -7.681 4.928 451 1HG2 THR 60 1HG2 THR 60 -7.858 -5.689 4.466 452 2HG2 THR 60 2HG2 THR 60 -8.367 -6.415 2.941 453 3HG2 THR 60 3HG2 THR 60 -7.477 -4.892 2.940 454 H ALA 61 H ALA 61 -7.443 -8.632 2.718 455 HA ALA 61 HA ALA 61 -8.340 -9.767 0.330 456 1HB ALA 61 1HB ALA 61 -9.932 -10.969 1.696 457 2HB ALA 61 2HB ALA 61 -9.681 -9.836 3.024 458 3HB ALA 61 3HB ALA 61 -8.367 -10.891 2.505 459 H THR 62 H THR 62 -9.982 -7.302 2.376 460 HA THR 62 HA THR 62 -12.372 -7.381 0.815 461 HB THR 62 HB THR 62 -12.512 -4.925 1.870 462 HG1 THR 62 HG1 THR 62 -11.237 -4.689 3.601 463 1HG2 THR 62 1HG2 THR 62 -13.686 -5.962 3.781 464 2HG2 THR 62 2HG2 THR 62 -13.011 -7.527 3.323 465 3HG2 THR 62 3HG2 THR 62 -14.123 -6.694 2.236 466 H GLU 63 H GLU 63 -9.535 -5.282 0.886 467 HA GLU 63 HA GLU 63 -10.411 -3.426 -1.050 468 1HB GLU 63 1HB GLU 63 -7.565 -4.334 -0.597 469 2HB GLU 63 2HB GLU 63 -8.101 -2.779 -1.212 470 1HG GLU 63 1HG GLU 63 -8.615 -3.792 1.574 471 2HG GLU 63 2HG GLU 63 -7.310 -2.699 1.120 472 H HIS 64 H HIS 64 -9.604 -6.659 -1.248 473 HA HIS 64 HA HIS 64 -8.373 -6.634 -3.830 474 1HB HIS 64 1HB HIS 64 -7.426 -8.397 -2.894 475 2HB HIS 64 2HB HIS 64 -8.601 -8.406 -1.594 476 HD1 HIS 64 HD1 HIS 64 -10.381 -10.199 -1.634 477 HD2 HIS 64 HD2 HIS 64 -7.995 -10.183 -5.036 478 HE1 HIS 64 HE1 HIS 64 -10.793 -12.404 -2.757 479 HE2 HIS 64 HE2 HIS 64 -9.172 -12.452 -4.680 480 H ALA 65 H ALA 65 -11.627 -7.555 -2.637 481 HA ALA 65 HA ALA 65 -12.274 -9.274 -4.730 482 1HB ALA 65 1HB ALA 65 -13.583 -9.055 -2.658 483 2HB ALA 65 2HB ALA 65 -14.594 -8.947 -4.099 484 3HB ALA 65 3HB ALA 65 -14.167 -7.485 -3.209 485 H GLU 66 H GLU 66 -13.561 -6.025 -4.374 486 HA GLU 66 HA GLU 66 -14.484 -5.908 -7.060 487 1HB GLU 66 1HB GLU 66 -14.746 -3.386 -6.321 488 2HB GLU 66 2HB GLU 66 -15.793 -4.637 -5.670 489 1HG GLU 66 1HG GLU 66 -14.543 -4.714 -3.614 490 2HG GLU 66 2HG GLU 66 -13.303 -3.644 -4.269 491 H ALA 67 H ALA 67 -11.954 -4.132 -5.333 492 HA ALA 67 HA ALA 67 -11.119 -2.568 -7.475 493 1HB ALA 67 1HB ALA 67 -10.580 -2.060 -5.144 494 2HB ALA 67 2HB ALA 67 -9.141 -2.076 -6.164 495 3HB ALA 67 3HB ALA 67 -9.485 -3.441 -5.101 496 H GLU 68 H GLU 68 -9.950 -5.772 -6.403 497 HA GLU 68 HA GLU 68 -7.774 -5.739 -8.247 498 1HB GLU 68 1HB GLU 68 -7.694 -7.175 -6.274 499 2HB GLU 68 2HB GLU 68 -9.054 -8.104 -6.885 500 1HG GLU 68 1HG GLU 68 -7.728 -8.825 -8.786 501 2HG GLU 68 2HG GLU 68 -6.364 -7.868 -8.208 502 H LYS 69 H LYS 69 -11.108 -6.986 -8.401 503 HA LYS 69 HA LYS 69 -10.877 -8.409 -10.767 504 1HB LYS 69 1HB LYS 69 -12.970 -7.740 -9.234 505 2HB LYS 69 2HB LYS 69 -13.219 -6.585 -10.537 506 1HG LYS 69 1HG LYS 69 -14.494 -8.575 -10.973 507 2HG LYS 69 2HG LYS 69 -13.185 -8.452 -12.151 508 1HD LYS 69 1HD LYS 69 -11.851 -10.021 -10.800 509 2HD LYS 69 2HD LYS 69 -13.196 -10.172 -9.671 510 1HE LYS 69 1HE LYS 69 -13.224 -10.933 -12.588 511 2HE LYS 69 2HE LYS 69 -13.140 -12.045 -11.224 512 1HZ LYS 69 1HZ LYS 69 -15.381 -11.932 -12.024 513 2HZ LYS 69 2HZ LYS 69 -15.399 -10.240 -11.902 514 3HZ LYS 69 3HZ LYS 69 -15.317 -11.191 -10.499 515 H ARG 70 H ARG 70 -11.759 -4.955 -10.504 516 HA ARG 70 HA ARG 70 -11.552 -4.482 -13.315 517 1HB ARG 70 1HB ARG 70 -12.886 -3.134 -11.697 518 2HB ARG 70 2HB ARG 70 -11.385 -2.486 -11.056 519 1HG ARG 70 1HG ARG 70 -10.893 -1.562 -13.307 520 2HG ARG 70 2HG ARG 70 -12.495 -2.098 -13.824 521 1HD ARG 70 1HD ARG 70 -11.830 -0.088 -11.683 522 2HD ARG 70 2HD ARG 70 -12.652 0.208 -13.214 523 HE ARG 70 HE ARG 70 -13.977 -1.668 -11.447 524 1HH1 ARG 70 1HH1 ARG 70 -13.617 1.683 -12.389 525 2HH1 ARG 70 2HH1 ARG 70 -15.209 2.141 -11.853 526 1HH2 ARG 70 1HH2 ARG 70 -16.056 -1.077 -10.698 527 2HH2 ARG 70 2HH2 ARG 70 -16.601 0.565 -10.884 528 H ALA 71 H ALA 71 -9.416 -3.664 -10.625 529 HA ALA 71 HA ALA 71 -7.599 -2.192 -12.209 530 1HB ALA 71 1HB ALA 71 -6.253 -2.073 -10.187 531 2HB ALA 71 2HB ALA 71 -7.260 -3.312 -9.437 532 3HB ALA 71 3HB ALA 71 -7.951 -1.743 -9.848 533 H ALA 72 H ALA 72 -7.680 -5.583 -11.206 534 HA ALA 72 HA ALA 72 -4.998 -6.149 -12.001 535 1HB ALA 72 1HB ALA 72 -7.335 -8.051 -11.875 536 2HB ALA 72 2HB ALA 72 -6.256 -7.667 -10.534 537 3HB ALA 72 3HB ALA 72 -5.628 -8.490 -11.961 538 H ALA 73 H ALA 73 -8.170 -6.361 -13.576 539 HA ALA 73 HA ALA 73 -7.387 -7.360 -16.029 540 1HB ALA 73 1HB ALA 73 -9.313 -6.204 -16.968 541 2HB ALA 73 2HB ALA 73 -9.420 -5.192 -15.528 542 3HB ALA 73 3HB ALA 73 -9.709 -6.928 -15.410 543 H ARG 74 H ARG 74 -7.043 -4.023 -14.802 544 HA ARG 74 HA ARG 74 -5.816 -3.171 -17.289 545 1HB ARG 74 1HB ARG 74 -7.083 -1.635 -15.743 546 2HB ARG 74 2HB ARG 74 -5.684 -1.682 -14.674 547 1HG ARG 74 1HG ARG 74 -4.281 -0.732 -16.390 548 2HG ARG 74 2HG ARG 74 -5.606 -0.792 -17.551 549 1HD ARG 74 1HD ARG 74 -6.882 0.745 -16.068 550 2HD ARG 74 2HD ARG 74 -5.444 0.890 -15.058 551 HE ARG 74 HE ARG 74 -5.197 1.553 -17.901 552 1HH1 ARG 74 1HH1 ARG 74 -5.221 2.580 -14.557 553 2HH1 ARG 74 2HH1 ARG 74 -4.809 4.233 -14.930 554 1HH2 ARG 74 1HH2 ARG 74 -4.597 3.701 -18.389 555 2HH2 ARG 74 2HH2 ARG 74 -4.434 4.866 -17.110 556 H ALA 75 H ALA 75 -4.501 -3.831 -14.025 557 HA ALA 75 HA ALA 75 -1.845 -3.106 -14.230 558 1HB ALA 75 1HB ALA 75 -2.898 -5.633 -12.957 559 2HB ALA 75 2HB ALA 75 -2.892 -4.030 -12.222 560 3HB ALA 75 3HB ALA 75 -1.367 -4.832 -12.600 561 H GLY 76 H GLY 76 -3.214 -6.254 -15.249 562 1HA GLY 76 1HA GLY 76 -0.647 -6.812 -16.595 563 2HA GLY 76 2HA GLY 76 -1.802 -8.033 -16.089 564 H HIS 77 H HIS 77 -2.908 -5.133 -17.624 565 HA HIS 77 HA HIS 77 -4.223 -6.614 -19.680 566 1HB HIS 77 1HB HIS 77 -4.987 -4.426 -18.606 567 2HB HIS 77 2HB HIS 77 -3.800 -3.626 -19.626 568 HD1 HIS 77 HD1 HIS 77 -7.230 -4.873 -19.598 569 HD2 HIS 77 HD2 HIS 77 -4.380 -3.899 -22.471 570 HE1 HIS 77 HE1 HIS 77 -8.499 -4.600 -21.748 571 HE2 HIS 77 HE2 HIS 77 -6.788 -3.808 -23.417 572 H ALA 78 H ALA 78 -1.381 -4.527 -19.562 573 HA ALA 78 HA ALA 78 -0.390 -5.668 -22.034 574 1HB ALA 78 1HB ALA 78 -0.113 -3.518 -23.155 575 2HB ALA 78 2HB ALA 78 -0.919 -2.704 -21.814 576 3HB ALA 78 3HB ALA 78 -1.815 -3.837 -22.826 577 H ALA 79 H ALA 79 0.611 -5.996 -19.527 578 HA ALA 79 HA ALA 79 2.399 -4.152 -18.498 579 1HB ALA 79 1HB ALA 79 2.675 -7.156 -18.495 580 2HB ALA 79 2HB ALA 79 1.752 -6.201 -17.335 581 3HB ALA 79 3HB ALA 79 3.507 -6.038 -17.413 582 H THR 80 H THR 80 3.107 -6.769 -20.814 583 HA THR 80 HA THR 80 5.054 -5.074 -22.112 584 HB THR 80 HB THR 80 5.906 -7.776 -21.034 585 HG1 THR 80 HG1 THR 80 5.978 -5.279 -19.955 586 1HG2 THR 80 1HG2 THR 80 6.915 -7.202 -23.209 587 2HG2 THR 80 2HG2 THR 80 8.110 -7.191 -21.911 588 3HG2 THR 80 3HG2 THR 80 7.474 -5.669 -22.534 Start of MODEL 10 1 H MET 1 H MET 1 11.484 0.742 0.588 2 HA MET 1 HA MET 1 8.557 0.909 0.213 3 1HB MET 1 1HB MET 1 9.643 1.098 -1.927 4 2HB MET 1 2HB MET 1 10.745 -0.216 -1.539 5 1HG MET 1 1HG MET 1 9.005 -0.921 -3.086 6 2HG MET 1 2HG MET 1 8.918 -1.799 -1.560 7 1HE MET 1 1HE MET 1 6.483 -2.649 -2.094 8 2HE MET 1 2HE MET 1 6.573 -1.828 -3.653 9 3HE MET 1 3HE MET 1 5.169 -1.591 -2.613 10 H HIS 2 H HIS 2 7.480 -0.670 1.207 11 HA HIS 2 HA HIS 2 8.902 -3.160 1.793 12 1HB HIS 2 1HB HIS 2 8.128 -3.269 4.046 13 2HB HIS 2 2HB HIS 2 8.852 -1.682 3.838 14 HD1 HIS 2 HD1 HIS 2 5.964 -3.279 5.200 15 HD2 HIS 2 HD2 HIS 2 6.699 0.364 3.331 16 HE1 HIS 2 HE1 HIS 2 4.033 -1.793 5.824 17 HE2 HIS 2 HE2 HIS 2 4.394 0.328 4.510 18 H ALA 3 H ALA 3 7.825 -4.889 1.219 19 HA ALA 3 HA ALA 3 4.948 -5.052 1.336 20 1HB ALA 3 1HB ALA 3 4.664 -5.641 -1.030 21 2HB ALA 3 2HB ALA 3 6.365 -5.280 -1.326 22 3HB ALA 3 3HB ALA 3 5.259 -3.990 -0.854 23 H LYS 4 H LYS 4 4.264 -7.232 1.384 24 HA LYS 4 HA LYS 4 6.310 -9.262 0.970 25 1HB LYS 4 1HB LYS 4 5.842 -8.268 3.507 26 2HB LYS 4 2HB LYS 4 4.870 -9.735 3.461 27 1HG LYS 4 1HG LYS 4 6.818 -11.028 2.815 28 2HG LYS 4 2HG LYS 4 7.799 -9.562 2.796 29 1HD LYS 4 1HD LYS 4 7.276 -9.257 5.209 30 2HD LYS 4 2HD LYS 4 6.457 -10.821 5.183 31 1HE LYS 4 1HE LYS 4 9.359 -10.329 4.522 32 2HE LYS 4 2HE LYS 4 8.745 -11.022 6.022 33 1HZ LYS 4 1HZ LYS 4 7.898 -12.901 4.804 34 2HZ LYS 4 2HZ LYS 4 9.546 -12.708 4.459 35 3HZ LYS 4 3HZ LYS 4 8.385 -12.224 3.327 36 H VAL 5 H VAL 5 5.363 -11.480 1.412 37 HA VAL 5 HA VAL 5 3.108 -11.789 -0.302 38 HB VAL 5 HB VAL 5 4.805 -13.453 -0.457 39 1HG1 VAL 5 1HG1 VAL 5 5.835 -13.139 1.717 40 2HG1 VAL 5 2HG1 VAL 5 5.517 -14.849 1.426 41 3HG1 VAL 5 3HG1 VAL 5 4.465 -13.926 2.501 42 1HG2 VAL 5 1HG2 VAL 5 2.486 -14.674 1.042 43 2HG2 VAL 5 2HG2 VAL 5 3.644 -15.558 0.047 44 3HG2 VAL 5 3HG2 VAL 5 2.566 -14.377 -0.695 45 H GLY 6 H GLY 6 1.099 -12.652 0.156 46 1HA GLY 6 1HA GLY 6 -0.554 -13.519 1.670 47 2HA GLY 6 2HA GLY 6 0.324 -12.764 2.997 48 H ASP 7 H ASP 7 0.405 -10.680 0.479 49 HA ASP 7 HA ASP 7 -2.103 -9.260 1.352 50 1HB ASP 7 1HB ASP 7 0.725 -8.168 1.279 51 2HB ASP 7 2HB ASP 7 -0.685 -7.122 1.160 52 H TYR 8 H TYR 8 -2.250 -7.250 -0.144 53 HA TYR 8 HA TYR 8 -1.931 -8.314 -2.861 54 1HB TYR 8 1HB TYR 8 -4.180 -6.669 -1.692 55 2HB TYR 8 2HB TYR 8 -4.051 -7.131 -3.387 56 HD1 TYR 8 HD1 TYR 8 -4.660 -8.374 0.024 57 HD2 TYR 8 HD2 TYR 8 -4.528 -9.385 -4.098 58 HE1 TYR 8 HE1 TYR 8 -5.821 -10.491 0.501 59 HE2 TYR 8 HE2 TYR 8 -5.695 -11.501 -3.630 60 HH TYR 8 HH TYR 8 -5.894 -13.041 -1.533 61 H LEU 9 H LEU 9 -1.637 -6.834 -4.557 62 HA LEU 9 HA LEU 9 -0.063 -4.509 -3.738 63 1HB LEU 9 1HB LEU 9 1.013 -6.231 -5.139 64 2HB LEU 9 2HB LEU 9 -0.212 -5.999 -6.366 65 HG LEU 9 HG LEU 9 1.475 -3.656 -5.585 66 1HD1 LEU 9 1HD1 LEU 9 3.068 -5.489 -5.879 67 2HD1 LEU 9 2HD1 LEU 9 3.171 -4.331 -7.205 68 3HD1 LEU 9 3HD1 LEU 9 2.343 -5.870 -7.442 69 1HD2 LEU 9 1HD2 LEU 9 0.298 -4.618 -8.193 70 2HD2 LEU 9 2HD2 LEU 9 1.183 -3.112 -7.954 71 3HD2 LEU 9 3HD2 LEU 9 -0.373 -3.356 -7.158 72 H VAL 10 H VAL 10 -0.442 -2.517 -4.499 73 HA VAL 10 HA VAL 10 -2.867 -1.964 -6.079 74 HB VAL 10 HB VAL 10 -2.002 -0.470 -3.592 75 1HG1 VAL 10 1HG1 VAL 10 -3.165 0.938 -5.188 76 2HG1 VAL 10 2HG1 VAL 10 -4.158 0.660 -3.757 77 3HG1 VAL 10 3HG1 VAL 10 -4.501 -0.211 -5.252 78 1HG2 VAL 10 1HG2 VAL 10 -4.261 -2.422 -3.931 79 2HG2 VAL 10 2HG2 VAL 10 -3.977 -1.419 -2.508 80 3HG2 VAL 10 3HG2 VAL 10 -2.803 -2.653 -2.967 81 H VAL 11 H VAL 11 -2.731 0.029 -7.287 82 HA VAL 11 HA VAL 11 -0.204 1.518 -6.978 83 HB VAL 11 HB VAL 11 -0.252 2.150 -9.329 84 1HG1 VAL 11 1HG1 VAL 11 0.282 -0.020 -10.339 85 2HG1 VAL 11 2HG1 VAL 11 -0.430 -0.832 -8.944 86 3HG1 VAL 11 3HG1 VAL 11 1.006 0.171 -8.743 87 1HG2 VAL 11 1HG2 VAL 11 -2.652 0.336 -9.573 88 2HG2 VAL 11 2HG2 VAL 11 -1.809 1.114 -10.913 89 3HG2 VAL 11 3HG2 VAL 11 -2.654 2.095 -9.717 90 H LYS 12 H LYS 12 -0.363 3.798 -7.189 91 HA LYS 12 HA LYS 12 -3.105 4.868 -7.146 92 1HB LYS 12 1HB LYS 12 -0.859 5.761 -5.322 93 2HB LYS 12 2HB LYS 12 -2.477 6.445 -5.382 94 1HG LYS 12 1HG LYS 12 -3.396 4.292 -4.634 95 2HG LYS 12 2HG LYS 12 -1.756 3.649 -4.533 96 1HD LYS 12 1HD LYS 12 -2.842 5.987 -2.963 97 2HD LYS 12 2HD LYS 12 -2.565 4.363 -2.337 98 1HE LYS 12 1HE LYS 12 -0.162 4.611 -2.861 99 2HE LYS 12 2HE LYS 12 -0.473 6.263 -3.390 100 1HZ LYS 12 1HZ LYS 12 -1.301 6.741 -1.135 101 2HZ LYS 12 2HZ LYS 12 0.329 6.287 -1.145 102 3HZ LYS 12 3HZ LYS 12 -0.860 5.179 -0.649 103 H GLY 13 H GLY 13 0.004 6.482 -6.713 104 1HA GLY 13 1HA GLY 13 0.985 7.433 -8.868 105 2HA GLY 13 2HA GLY 13 -0.623 8.115 -9.081 106 H THR 14 H THR 14 2.388 8.835 -8.129 107 HA THR 14 HA THR 14 3.324 10.661 -7.172 108 HB THR 14 HB THR 14 0.542 11.725 -6.673 109 HG1 THR 14 HG1 THR 14 1.897 11.313 -9.023 110 1HG2 THR 14 1HG2 THR 14 3.201 13.110 -7.051 111 2HG2 THR 14 2HG2 THR 14 2.339 12.928 -5.523 112 3HG2 THR 14 3HG2 THR 14 1.647 13.910 -6.815 113 H THR 15 H THR 15 0.355 10.628 -5.229 114 HA THR 15 HA THR 15 1.611 9.384 -2.967 115 HB THR 15 HB THR 15 0.946 12.337 -2.777 116 HG1 THR 15 HG1 THR 15 3.017 12.683 -3.018 117 1HG2 THR 15 1HG2 THR 15 1.771 12.158 -0.474 118 2HG2 THR 15 2HG2 THR 15 1.975 10.420 -0.683 119 3HG2 THR 15 3HG2 THR 15 0.362 11.133 -0.736 120 H THR 16 H THR 16 -1.010 11.667 -3.827 121 HA THR 16 HA THR 16 -2.722 10.261 -1.893 122 HB THR 16 HB THR 16 -4.051 12.438 -1.992 123 HG1 THR 16 HG1 THR 16 -2.302 14.171 -2.599 124 1HG2 THR 16 1HG2 THR 16 -2.617 11.837 -0.099 125 2HG2 THR 16 2HG2 THR 16 -2.543 13.569 -0.425 126 3HG2 THR 16 3HG2 THR 16 -1.222 12.517 -0.936 127 H GLU 17 H GLU 17 -2.311 9.934 -5.016 128 HA GLU 17 HA GLU 17 -4.885 10.614 -6.061 129 1HB GLU 17 1HB GLU 17 -2.520 9.140 -7.161 130 2HB GLU 17 2HB GLU 17 -4.057 9.127 -8.017 131 1HG GLU 17 1HG GLU 17 -2.435 11.553 -7.280 132 2HG GLU 17 2HG GLU 17 -2.640 10.868 -8.893 133 H ARG 18 H ARG 18 -5.971 8.795 -7.421 134 HA ARG 18 HA ARG 18 -7.415 7.238 -5.620 135 1HB ARG 18 1HB ARG 18 -8.107 8.013 -7.921 136 2HB ARG 18 2HB ARG 18 -7.115 6.721 -8.580 137 1HG ARG 18 1HG ARG 18 -8.569 5.226 -6.988 138 2HG ARG 18 2HG ARG 18 -9.702 6.575 -7.123 139 1HD ARG 18 1HD ARG 18 -8.721 4.693 -9.217 140 2HD ARG 18 2HD ARG 18 -10.360 5.247 -8.884 141 HE ARG 18 HE ARG 18 -8.425 7.169 -9.950 142 1HH1 ARG 18 1HH1 ARG 18 -11.319 5.262 -10.379 143 2HH1 ARG 18 2HH1 ARG 18 -11.725 5.977 -11.911 144 1HH2 ARG 18 1HH2 ARG 18 -8.945 8.137 -11.936 145 2HH2 ARG 18 2HH2 ARG 18 -10.388 7.647 -12.779 146 H HIS 19 H HIS 19 -7.095 5.268 -4.753 147 HA HIS 19 HA HIS 19 -4.843 3.689 -5.695 148 1HB HIS 19 1HB HIS 19 -5.131 2.296 -3.765 149 2HB HIS 19 2HB HIS 19 -5.266 3.965 -3.240 150 HD1 HIS 19 HD1 HIS 19 -7.449 4.672 -2.131 151 HD2 HIS 19 HD2 HIS 19 -7.538 0.798 -3.644 152 HE1 HIS 19 HE1 HIS 19 -9.524 3.614 -1.182 153 HE2 HIS 19 HE2 HIS 19 -9.387 1.194 -1.885 154 H ASP 20 H ASP 20 -4.999 2.122 -7.112 155 HA ASP 20 HA ASP 20 -7.467 0.626 -7.467 156 1HB ASP 20 1HB ASP 20 -7.740 2.680 -8.871 157 2HB ASP 20 2HB ASP 20 -6.279 2.244 -9.742 158 H GLN 21 H GLN 21 -7.054 -0.986 -9.401 159 HA GLN 21 HA GLN 21 -5.853 -2.721 -10.253 160 1HB GLN 21 1HB GLN 21 -4.450 -0.781 -11.093 161 2HB GLN 21 2HB GLN 21 -3.385 -1.061 -9.728 162 1HG GLN 21 1HG GLN 21 -4.005 -3.193 -11.741 163 2HG GLN 21 2HG GLN 21 -2.709 -2.026 -11.971 164 1HE2 GLN 21 1HE2 GLN 21 -0.917 -2.092 -10.590 165 2HE2 GLN 21 2HE2 GLN 21 -0.537 -3.499 -9.665 166 H HIS 22 H HIS 22 -6.118 -4.349 -8.843 167 HA HIS 22 HA HIS 22 -4.185 -4.563 -6.637 168 1HB HIS 22 1HB HIS 22 -7.156 -5.077 -6.527 169 2HB HIS 22 2HB HIS 22 -6.037 -5.667 -5.310 170 HD1 HIS 22 HD1 HIS 22 -6.161 -2.169 -6.831 171 HD2 HIS 22 HD2 HIS 22 -6.664 -4.111 -3.199 172 HE1 HIS 22 HE1 HIS 22 -6.602 -0.352 -5.150 173 HE2 HIS 22 HE2 HIS 22 -7.070 -1.566 -2.984 174 H ALA 23 H ALA 23 -3.406 -6.567 -6.208 175 HA ALA 23 HA ALA 23 -4.733 -9.026 -7.118 176 1HB ALA 23 1HB ALA 23 -3.503 -8.403 -9.148 177 2HB ALA 23 2HB ALA 23 -2.862 -9.869 -8.407 178 3HB ALA 23 3HB ALA 23 -2.009 -8.337 -8.215 179 H GLU 24 H GLU 24 -3.168 -10.923 -6.507 180 HA GLU 24 HA GLU 24 -2.278 -10.188 -3.805 181 1HB GLU 24 1HB GLU 24 -3.859 -12.056 -3.929 182 2HB GLU 24 2HB GLU 24 -2.730 -12.951 -4.943 183 1HG GLU 24 1HG GLU 24 -1.126 -13.059 -3.147 184 2HG GLU 24 2HG GLU 24 -2.140 -12.036 -2.134 185 H ILE 25 H ILE 25 -0.282 -10.208 -3.146 186 HA ILE 25 HA ILE 25 1.795 -11.119 -4.995 187 HB ILE 25 HB ILE 25 2.443 -9.774 -2.405 188 1HG1 ILE 25 1HG1 ILE 25 1.575 -8.274 -4.888 189 2HG1 ILE 25 2HG1 ILE 25 0.614 -8.414 -3.419 190 1HG2 ILE 25 1HG2 ILE 25 4.280 -8.863 -3.757 191 2HG2 ILE 25 2HG2 ILE 25 3.622 -9.670 -5.181 192 3HG2 ILE 25 3HG2 ILE 25 4.224 -10.624 -3.825 193 1HD1 ILE 25 1HD1 ILE 25 3.320 -7.112 -3.632 194 2HD1 ILE 25 2HD1 ILE 25 2.341 -7.236 -2.171 195 3HD1 ILE 25 3HD1 ILE 25 1.769 -6.278 -3.537 196 H ILE 26 H ILE 26 2.212 -13.178 -4.760 197 HA ILE 26 HA ILE 26 2.496 -14.284 -2.056 198 HB ILE 26 HB ILE 26 2.384 -16.532 -3.048 199 1HG1 ILE 26 1HG1 ILE 26 3.155 -15.802 -5.371 200 2HG1 ILE 26 2HG1 ILE 26 1.814 -16.938 -5.338 201 1HG2 ILE 26 1HG2 ILE 26 0.353 -15.518 -2.170 202 2HG2 ILE 26 2HG2 ILE 26 -0.040 -16.487 -3.591 203 3HG2 ILE 26 3HG2 ILE 26 0.037 -14.731 -3.715 204 1HD1 ILE 26 1HD1 ILE 26 1.512 -15.220 -7.030 205 2HD1 ILE 26 2HD1 ILE 26 1.592 -13.971 -5.787 206 3HD1 ILE 26 3HD1 ILE 26 0.260 -15.125 -5.792 207 H GLU 27 H GLU 27 4.102 -13.748 -5.116 208 HA GLU 27 HA GLU 27 6.585 -14.772 -3.913 209 1HB GLU 27 1HB GLU 27 5.908 -14.392 -6.838 210 2HB GLU 27 2HB GLU 27 7.447 -14.974 -6.217 211 1HG GLU 27 1HG GLU 27 4.817 -16.363 -5.768 212 2HG GLU 27 2HG GLU 27 5.929 -16.748 -7.079 213 H VAL 28 H VAL 28 7.422 -13.093 -2.905 214 HA VAL 28 HA VAL 28 7.468 -10.475 -4.239 215 HB VAL 28 HB VAL 28 8.007 -11.038 -1.325 216 1HG1 VAL 28 1HG1 VAL 28 7.290 -8.504 -2.791 217 2HG1 VAL 28 2HG1 VAL 28 8.871 -8.916 -2.128 218 3HG1 VAL 28 3HG1 VAL 28 7.502 -8.656 -1.047 219 1HG2 VAL 28 1HG2 VAL 28 5.761 -11.793 -1.853 220 2HG2 VAL 28 2HG2 VAL 28 5.405 -10.244 -2.619 221 3HG2 VAL 28 3HG2 VAL 28 5.709 -10.321 -0.882 222 H ARG 29 H ARG 29 9.456 -9.405 -4.526 223 HA ARG 29 HA ARG 29 11.846 -10.937 -4.479 224 1HB ARG 29 1HB ARG 29 11.280 -8.015 -4.870 225 2HB ARG 29 2HB ARG 29 12.930 -8.598 -4.727 226 1HG ARG 29 1HG ARG 29 12.184 -10.238 -6.631 227 2HG ARG 29 2HG ARG 29 10.956 -8.999 -6.913 228 1HD ARG 29 1HD ARG 29 12.930 -8.576 -8.279 229 2HD ARG 29 2HD ARG 29 12.713 -7.298 -7.080 230 HE ARG 29 HE ARG 29 14.716 -9.464 -6.929 231 1HH1 ARG 29 1HH1 ARG 29 13.616 -6.250 -6.065 232 2HH1 ARG 29 2HH1 ARG 29 15.022 -5.882 -5.109 233 1HH2 ARG 29 1HH2 ARG 29 16.596 -8.963 -5.715 234 2HH2 ARG 29 2HH2 ARG 29 16.725 -7.416 -4.931 235 H SER 30 H SER 30 10.347 -8.671 -2.287 236 HA SER 30 HA SER 30 10.823 -7.938 -0.208 237 1HB SER 30 1HB SER 30 12.249 -10.604 -0.130 238 2HB SER 30 2HB SER 30 12.036 -9.575 1.288 239 HG SER 30 HG SER 30 9.728 -9.663 0.764 240 H ALA 31 H ALA 31 13.178 -8.271 1.360 241 HA ALA 31 HA ALA 31 15.196 -7.340 1.753 242 1HB ALA 31 1HB ALA 31 16.866 -7.271 -0.019 243 2HB ALA 31 2HB ALA 31 15.615 -7.571 -1.225 244 3HB ALA 31 3HB ALA 31 16.000 -8.808 -0.028 245 H ASP 32 H ASP 32 15.022 -5.832 -1.426 246 HA ASP 32 HA ASP 32 14.975 -3.221 -0.120 247 1HB ASP 32 1HB ASP 32 15.604 -2.312 -2.297 248 2HB ASP 32 2HB ASP 32 16.679 -3.634 -1.861 249 H GLY 33 H GLY 33 12.996 -5.316 -2.049 250 1HA GLY 33 1HA GLY 33 10.699 -5.210 -2.351 251 2HA GLY 33 2HA GLY 33 10.696 -3.658 -1.529 252 H SER 34 H SER 34 11.168 -5.272 -4.599 253 HA SER 34 HA SER 34 10.147 -2.986 -5.993 254 1HB SER 34 1HB SER 34 12.152 -2.800 -7.508 255 2HB SER 34 2HB SER 34 12.442 -2.251 -5.858 256 HG SER 34 HG SER 34 13.827 -3.814 -5.565 257 HA PRO 35 HA PRO 35 8.825 -6.060 -8.960 258 1HB PRO 35 1HB PRO 35 9.879 -4.289 -11.100 259 2HB PRO 35 2HB PRO 35 8.251 -4.938 -10.877 260 1HG PRO 35 1HG PRO 35 8.776 -2.373 -10.383 261 2HG PRO 35 2HG PRO 35 7.661 -3.292 -9.354 262 1HD PRO 35 1HD PRO 35 10.502 -2.504 -8.845 263 2HD PRO 35 2HD PRO 35 9.123 -2.544 -7.726 264 HA PRO 36 HA PRO 36 8.683 -6.971 -11.268 265 1HB PRO 36 1HB PRO 36 9.255 -9.801 -11.542 266 2HB PRO 36 2HB PRO 36 8.997 -8.598 -12.805 267 1HG PRO 36 1HG PRO 36 11.403 -9.789 -12.326 268 2HG PRO 36 2HG PRO 36 11.232 -8.171 -13.031 269 1HD PRO 36 1HD PRO 36 11.876 -8.961 -10.216 270 2HD PRO 36 2HD PRO 36 12.546 -7.641 -11.200 271 H TYR 37 H TYR 37 6.769 -7.810 -10.475 272 HA TYR 37 HA TYR 37 6.994 -9.375 -7.983 273 1HB TYR 37 1HB TYR 37 4.912 -7.402 -8.905 274 2HB TYR 37 2HB TYR 37 4.606 -8.547 -7.602 275 HD1 TYR 37 HD1 TYR 37 6.221 -8.505 -5.603 276 HD2 TYR 37 HD2 TYR 37 5.947 -5.354 -8.450 277 HE1 TYR 37 HE1 TYR 37 7.258 -6.966 -3.990 278 HE2 TYR 37 HE2 TYR 37 6.984 -3.807 -6.844 279 HH TYR 37 HH TYR 37 7.297 -3.594 -4.431 280 H VAL 38 H VAL 38 5.919 -11.299 -7.819 281 HA VAL 38 HA VAL 38 4.613 -12.206 -10.285 282 HB VAL 38 HB VAL 38 5.439 -13.845 -7.873 283 1HG1 VAL 38 1HG1 VAL 38 4.489 -14.702 -10.606 284 2HG1 VAL 38 2HG1 VAL 38 3.572 -14.825 -9.103 285 3HG1 VAL 38 3HG1 VAL 38 5.042 -15.777 -9.323 286 1HG2 VAL 38 1HG2 VAL 38 7.253 -14.681 -9.293 287 2HG2 VAL 38 2HG2 VAL 38 7.383 -12.941 -9.031 288 3HG2 VAL 38 3HG2 VAL 38 6.769 -13.559 -10.565 289 H VAL 39 H VAL 39 2.600 -11.623 -10.293 290 HA VAL 39 HA VAL 39 1.164 -11.484 -7.745 291 HB VAL 39 HB VAL 39 1.716 -9.490 -9.626 292 1HG1 VAL 39 1HG1 VAL 39 -1.215 -10.173 -9.725 293 2HG1 VAL 39 2HG1 VAL 39 -0.074 -10.262 -11.067 294 3HG1 VAL 39 3HG1 VAL 39 -0.478 -8.699 -10.354 295 1HG2 VAL 39 1HG2 VAL 39 0.363 -8.080 -8.145 296 2HG2 VAL 39 2HG2 VAL 39 1.455 -9.147 -7.261 297 3HG2 VAL 39 3HG2 VAL 39 -0.265 -9.530 -7.361 298 H ARG 40 H ARG 40 -0.908 -12.262 -7.629 299 HA ARG 40 HA ARG 40 -1.745 -13.859 -9.954 300 1HB ARG 40 1HB ARG 40 -0.805 -15.164 -8.026 301 2HB ARG 40 2HB ARG 40 -2.145 -14.574 -7.052 302 1HG ARG 40 1HG ARG 40 -3.723 -15.663 -8.569 303 2HG ARG 40 2HG ARG 40 -2.369 -16.271 -9.528 304 1HD ARG 40 1HD ARG 40 -1.525 -17.416 -7.491 305 2HD ARG 40 2HD ARG 40 -2.989 -16.910 -6.650 306 HE ARG 40 HE ARG 40 -3.400 -18.399 -9.111 307 1HH1 ARG 40 1HH1 ARG 40 -3.139 -18.479 -5.611 308 2HH1 ARG 40 2HH1 ARG 40 -3.900 -20.039 -5.465 309 1HH2 ARG 40 1HH2 ARG 40 -4.432 -20.426 -8.921 310 2HH2 ARG 40 2HH2 ARG 40 -4.663 -21.134 -7.348 311 H TRP 41 H TRP 41 -3.707 -13.438 -10.702 312 HA TRP 41 HA TRP 41 -5.504 -11.704 -9.245 313 1HB TRP 41 1HB TRP 41 -6.281 -13.245 -11.712 314 2HB TRP 41 2HB TRP 41 -6.817 -11.652 -11.194 315 HD1 TRP 41 HD1 TRP 41 -4.468 -13.312 -13.509 316 HE1 TRP 41 HE1 TRP 41 -2.877 -11.604 -14.582 317 HE3 TRP 41 HE3 TRP 41 -5.435 -9.299 -10.492 318 HZ2 TRP 41 HZ2 TRP 41 -2.134 -8.912 -14.210 319 HZ3 TRP 41 HZ3 TRP 41 -4.238 -7.193 -10.922 320 HH2 TRP 41 HH2 TRP 41 -2.624 -7.005 -12.741 321 H LEU 42 H LEU 42 -6.398 -12.661 -7.505 322 HA LEU 42 HA LEU 42 -6.748 -15.526 -7.408 323 1HB LEU 42 1HB LEU 42 -7.798 -13.520 -5.429 324 2HB LEU 42 2HB LEU 42 -7.498 -15.224 -5.165 325 HG LEU 42 HG LEU 42 -5.517 -12.990 -5.382 326 1HD1 LEU 42 1HD1 LEU 42 -4.804 -13.881 -3.237 327 2HD1 LEU 42 2HD1 LEU 42 -6.023 -15.150 -3.355 328 3HD1 LEU 42 3HD1 LEU 42 -6.517 -13.462 -3.223 329 1HD2 LEU 42 1HD2 LEU 42 -4.680 -14.784 -6.812 330 2HD2 LEU 42 2HD2 LEU 42 -4.913 -15.943 -5.501 331 3HD2 LEU 42 3HD2 LEU 42 -3.729 -14.646 -5.333 332 H VAL 43 H VAL 43 -8.943 -12.758 -7.163 333 HA VAL 43 HA VAL 43 -11.224 -14.480 -7.067 334 HB VAL 43 HB VAL 43 -12.410 -12.166 -7.133 335 1HG1 VAL 43 1HG1 VAL 43 -10.621 -12.995 -4.862 336 2HG1 VAL 43 2HG1 VAL 43 -12.238 -13.620 -5.188 337 3HG1 VAL 43 3HG1 VAL 43 -12.020 -11.929 -4.731 338 1HG2 VAL 43 1HG2 VAL 43 -9.590 -11.353 -6.434 339 2HG2 VAL 43 2HG2 VAL 43 -11.020 -10.335 -6.281 340 3HG2 VAL 43 3HG2 VAL 43 -10.476 -10.856 -7.876 341 H ASN 44 H ASN 44 -9.373 -13.106 -9.502 342 HA ASN 44 HA ASN 44 -11.541 -13.379 -11.428 343 1HB ASN 44 1HB ASN 44 -8.698 -12.394 -11.673 344 2HB ASN 44 2HB ASN 44 -9.678 -12.743 -13.092 345 1HD2 ASN 44 1HD2 ASN 44 -9.320 -10.703 -10.281 346 2HD2 ASN 44 2HD2 ASN 44 -10.348 -9.427 -10.850 347 H GLY 45 H GLY 45 -8.306 -14.719 -10.771 348 1HA GLY 45 1HA GLY 45 -8.021 -17.092 -10.627 349 2HA GLY 45 2HA GLY 45 -9.294 -17.283 -11.819 350 H HIS 46 H HIS 46 -6.034 -15.845 -11.495 351 HA HIS 46 HA HIS 46 -4.944 -17.528 -13.480 352 1HB HIS 46 1HB HIS 46 -6.251 -16.036 -14.991 353 2HB HIS 46 2HB HIS 46 -5.313 -14.669 -14.412 354 HD1 HIS 46 HD1 HIS 46 -3.808 -14.044 -16.301 355 HD2 HIS 46 HD2 HIS 46 -4.023 -18.160 -15.778 356 HE1 HIS 46 HE1 HIS 46 -2.171 -15.019 -17.935 357 HE2 HIS 46 HE2 HIS 46 -2.143 -17.485 -17.419 358 H GLU 47 H GLU 47 -2.715 -17.351 -13.622 359 HA GLU 47 HA GLU 47 -1.478 -15.597 -11.616 360 1HB GLU 47 1HB GLU 47 -0.433 -18.043 -13.058 361 2HB GLU 47 2HB GLU 47 0.551 -17.050 -11.996 362 1HG GLU 47 1HG GLU 47 -0.137 -18.916 -10.737 363 2HG GLU 47 2HG GLU 47 -1.089 -17.549 -10.166 364 H THR 48 H THR 48 0.220 -14.183 -12.139 365 HA THR 48 HA THR 48 1.062 -13.905 -14.901 366 HB THR 48 HB THR 48 -0.475 -11.646 -13.577 367 HG1 THR 48 HG1 THR 48 -1.318 -13.814 -15.006 368 1HG2 THR 48 1HG2 THR 48 -0.449 -10.615 -15.798 369 2HG2 THR 48 2HG2 THR 48 0.524 -11.953 -16.411 370 3HG2 THR 48 3HG2 THR 48 1.189 -10.862 -15.194 371 H THR 49 H THR 49 2.661 -12.050 -15.091 372 HA THR 49 HA THR 49 3.913 -11.369 -12.515 373 HB THR 49 HB THR 49 5.428 -11.957 -15.074 374 HG1 THR 49 HG1 THR 49 4.317 -13.682 -13.462 375 1HG2 THR 49 1HG2 THR 49 6.567 -10.389 -13.586 376 2HG2 THR 49 2HG2 THR 49 7.397 -11.945 -13.589 377 3HG2 THR 49 3HG2 THR 49 6.359 -11.501 -12.233 378 H VAL 50 H VAL 50 3.993 -9.182 -12.250 379 HA VAL 50 HA VAL 50 3.717 -7.563 -14.691 380 HB VAL 50 HB VAL 50 2.081 -6.111 -13.553 381 1HG1 VAL 50 1HG1 VAL 50 1.275 -9.009 -13.752 382 2HG1 VAL 50 2HG1 VAL 50 1.283 -7.829 -15.063 383 3HG1 VAL 50 3HG1 VAL 50 0.162 -7.640 -13.714 384 1HG2 VAL 50 1HG2 VAL 50 0.953 -6.912 -11.524 385 2HG2 VAL 50 2HG2 VAL 50 2.662 -6.579 -11.244 386 3HG2 VAL 50 3HG2 VAL 50 2.106 -8.242 -11.422 387 H TYR 51 H TYR 51 4.143 -5.334 -14.465 388 HA TYR 51 HA TYR 51 5.832 -4.568 -12.180 389 1HB TYR 51 1HB TYR 51 5.993 -3.519 -15.024 390 2HB TYR 51 2HB TYR 51 7.027 -3.042 -13.683 391 HD1 TYR 51 HD1 TYR 51 6.306 -5.649 -16.153 392 HD2 TYR 51 HD2 TYR 51 8.804 -4.506 -12.906 393 HE1 TYR 51 HE1 TYR 51 7.892 -7.427 -16.758 394 HE2 TYR 51 HE2 TYR 51 10.399 -6.279 -13.502 395 HH TYR 51 HH TYR 51 10.410 -7.856 -16.417 396 HA PRO 52 HA PRO 52 2.024 -2.091 -11.872 397 1HB PRO 52 1HB PRO 52 2.523 -1.218 -9.335 398 2HB PRO 52 2HB PRO 52 1.843 -2.808 -9.696 399 1HG PRO 52 1HG PRO 52 4.677 -2.058 -9.077 400 2HG PRO 52 2HG PRO 52 3.723 -3.422 -8.462 401 1HD PRO 52 1HD PRO 52 5.515 -3.726 -10.445 402 2HD PRO 52 2HD PRO 52 4.001 -4.654 -10.404 403 H GLY 53 H GLY 53 1.598 0.123 -11.932 404 1HA GLY 53 1HA GLY 53 3.855 1.743 -12.738 405 2HA GLY 53 2HA GLY 53 2.158 2.175 -12.867 406 H SER 54 H SER 54 4.600 1.554 -10.366 407 HA SER 54 HA SER 54 5.353 2.800 -8.630 408 1HB SER 54 1HB SER 54 3.666 5.045 -9.755 409 2HB SER 54 2HB SER 54 4.996 5.200 -8.608 410 HG SER 54 HG SER 54 5.103 5.189 -11.262 411 H ASP 55 H ASP 55 4.641 3.976 -6.634 412 HA ASP 55 HA ASP 55 3.423 4.025 -4.723 413 1HB ASP 55 1HB ASP 55 1.384 4.596 -6.839 414 2HB ASP 55 2HB ASP 55 0.885 4.459 -5.156 415 H ALA 56 H ALA 56 4.025 1.453 -5.470 416 HA ALA 56 HA ALA 56 1.684 -0.200 -5.395 417 1HB ALA 56 1HB ALA 56 3.696 -0.911 -6.596 418 2HB ALA 56 2HB ALA 56 3.236 -2.073 -5.352 419 3HB ALA 56 3HB ALA 56 4.584 -0.969 -5.074 420 H VAL 57 H VAL 57 0.529 -0.368 -3.598 421 HA VAL 57 HA VAL 57 1.970 -0.668 -1.048 422 HB VAL 57 HB VAL 57 0.902 1.347 -0.765 423 1HG1 VAL 57 1HG1 VAL 57 -1.545 0.224 -2.109 424 2HG1 VAL 57 2HG1 VAL 57 -0.414 1.389 -2.797 425 3HG1 VAL 57 3HG1 VAL 57 -1.422 1.843 -1.422 426 1HG2 VAL 57 1HG2 VAL 57 -0.952 1.049 0.799 427 2HG2 VAL 57 2HG2 VAL 57 0.378 -0.064 1.115 428 3HG2 VAL 57 3HG2 VAL 57 -1.078 -0.639 0.304 429 H VAL 58 H VAL 58 0.890 -1.935 0.560 430 HA VAL 58 HA VAL 58 -0.243 -4.321 -0.695 431 HB VAL 58 HB VAL 58 0.491 -5.266 1.649 432 1HG1 VAL 58 1HG1 VAL 58 1.316 -6.037 -0.508 433 2HG1 VAL 58 2HG1 VAL 58 2.641 -5.893 0.647 434 3HG1 VAL 58 3HG1 VAL 58 2.410 -4.657 -0.589 435 1HG2 VAL 58 1HG2 VAL 58 2.566 -4.218 2.436 436 2HG2 VAL 58 2HG2 VAL 58 1.174 -3.148 2.605 437 3HG2 VAL 58 3HG2 VAL 58 2.317 -2.907 1.284 438 H VAL 59 H VAL 59 -2.393 -4.309 -0.571 439 HA VAL 59 HA VAL 59 -3.735 -3.522 1.882 440 HB VAL 59 HB VAL 59 -5.746 -3.743 0.456 441 1HG1 VAL 59 1HG1 VAL 59 -5.394 -1.661 -0.771 442 2HG1 VAL 59 2HG1 VAL 59 -3.659 -1.820 -0.502 443 3HG1 VAL 59 3HG1 VAL 59 -4.746 -1.576 0.866 444 1HG2 VAL 59 1HG2 VAL 59 -5.470 -3.801 -1.973 445 2HG2 VAL 59 2HG2 VAL 59 -4.925 -5.285 -1.192 446 3HG2 VAL 59 3HG2 VAL 59 -3.745 -4.095 -1.740 447 H THR 60 H THR 60 -5.864 -4.837 2.069 448 HA THR 60 HA THR 60 -5.083 -7.646 2.436 449 HB THR 60 HB THR 60 -6.053 -6.225 4.304 450 HG1 THR 60 HG1 THR 60 -6.495 -8.170 5.004 451 1HG2 THR 60 1HG2 THR 60 -8.582 -6.452 2.687 452 2HG2 THR 60 2HG2 THR 60 -7.696 -4.970 3.054 453 3HG2 THR 60 3HG2 THR 60 -8.482 -5.871 4.349 454 H ALA 61 H ALA 61 -7.530 -8.847 2.511 455 HA ALA 61 HA ALA 61 -7.751 -9.638 -0.180 456 1HB ALA 61 1HB ALA 61 -9.603 -10.285 2.104 457 2HB ALA 61 2HB ALA 61 -8.107 -11.137 1.723 458 3HB ALA 61 3HB ALA 61 -9.455 -11.172 0.588 459 H THR 62 H THR 62 -10.065 -7.817 1.859 460 HA THR 62 HA THR 62 -12.068 -7.825 -0.173 461 HB THR 62 HB THR 62 -13.001 -5.942 1.346 462 HG1 THR 62 HG1 THR 62 -12.028 -5.731 3.295 463 1HG2 THR 62 1HG2 THR 62 -12.672 -8.769 2.350 464 2HG2 THR 62 2HG2 THR 62 -13.909 -8.210 1.225 465 3HG2 THR 62 3HG2 THR 62 -13.901 -7.624 2.888 466 H GLU 63 H GLU 63 -9.724 -5.465 0.982 467 HA GLU 63 HA GLU 63 -10.467 -3.234 -0.509 468 1HB GLU 63 1HB GLU 63 -8.347 -3.985 1.140 469 2HB GLU 63 2HB GLU 63 -7.580 -3.634 -0.400 470 1HG GLU 63 1HG GLU 63 -9.358 -1.773 1.149 471 2HG GLU 63 2HG GLU 63 -7.600 -1.706 1.080 472 H HIS 64 H HIS 64 -8.976 -6.188 -1.407 473 HA HIS 64 HA HIS 64 -7.750 -5.199 -3.795 474 1HB HIS 64 1HB HIS 64 -6.391 -6.896 -3.408 475 2HB HIS 64 2HB HIS 64 -7.398 -7.386 -2.058 476 HD1 HIS 64 HD1 HIS 64 -8.965 -9.409 -2.414 477 HD2 HIS 64 HD2 HIS 64 -6.686 -8.404 -5.744 478 HE1 HIS 64 HE1 HIS 64 -9.130 -11.379 -3.971 479 HE2 HIS 64 HE2 HIS 64 -7.700 -10.763 -5.964 480 H ALA 65 H ALA 65 -10.670 -7.185 -3.164 481 HA ALA 65 HA ALA 65 -10.588 -8.715 -5.462 482 1HB ALA 65 1HB ALA 65 -12.062 -9.151 -3.564 483 2HB ALA 65 2HB ALA 65 -12.936 -9.184 -5.095 484 3HB ALA 65 3HB ALA 65 -13.068 -7.782 -4.035 485 H GLU 66 H GLU 66 -12.610 -5.855 -5.035 486 HA GLU 66 HA GLU 66 -13.770 -5.795 -7.556 487 1HB GLU 66 1HB GLU 66 -13.230 -3.133 -6.464 488 2HB GLU 66 2HB GLU 66 -14.766 -3.915 -6.793 489 1HG GLU 66 1HG GLU 66 -14.659 -5.073 -4.641 490 2HG GLU 66 2HG GLU 66 -13.082 -4.351 -4.318 491 H ALA 67 H ALA 67 -10.997 -3.982 -6.362 492 HA ALA 67 HA ALA 67 -10.336 -2.808 -8.835 493 1HB ALA 67 1HB ALA 67 -8.350 -2.013 -7.733 494 2HB ALA 67 2HB ALA 67 -8.605 -3.142 -6.403 495 3HB ALA 67 3HB ALA 67 -9.750 -1.828 -6.677 496 H GLU 68 H GLU 68 -9.693 -5.976 -7.616 497 HA GLU 68 HA GLU 68 -7.319 -6.447 -9.136 498 1HB GLU 68 1HB GLU 68 -7.979 -7.944 -7.259 499 2HB GLU 68 2HB GLU 68 -9.339 -8.512 -8.223 500 1HG GLU 68 1HG GLU 68 -7.632 -9.162 -9.983 501 2HG GLU 68 2HG GLU 68 -6.404 -8.876 -8.755 502 H LYS 69 H LYS 69 -10.777 -7.020 -9.679 503 HA LYS 69 HA LYS 69 -10.558 -8.035 -12.289 504 1HB LYS 69 1HB LYS 69 -12.691 -6.262 -11.078 505 2HB LYS 69 2HB LYS 69 -12.841 -7.040 -12.649 506 1HG LYS 69 1HG LYS 69 -12.585 -9.235 -11.535 507 2HG LYS 69 2HG LYS 69 -12.572 -8.403 -9.978 508 1HD LYS 69 1HD LYS 69 -14.807 -7.582 -10.347 509 2HD LYS 69 2HD LYS 69 -14.823 -8.245 -11.982 510 1HE LYS 69 1HE LYS 69 -14.585 -10.512 -11.026 511 2HE LYS 69 2HE LYS 69 -14.666 -9.814 -9.410 512 1HZ LYS 69 1HZ LYS 69 -16.889 -9.118 -9.779 513 2HZ LYS 69 2HZ LYS 69 -16.800 -10.738 -10.280 514 3HZ LYS 69 3HZ LYS 69 -16.815 -9.495 -11.433 515 H ARG 70 H ARG 70 -10.806 -4.700 -11.133 516 HA ARG 70 HA ARG 70 -10.477 -3.411 -13.618 517 1HB ARG 70 1HB ARG 70 -9.695 -2.520 -10.840 518 2HB ARG 70 2HB ARG 70 -9.729 -1.468 -12.248 519 1HG ARG 70 1HG ARG 70 -12.103 -1.755 -12.472 520 2HG ARG 70 2HG ARG 70 -12.118 -2.953 -11.176 521 1HD ARG 70 1HD ARG 70 -12.863 -0.655 -10.505 522 2HD ARG 70 2HD ARG 70 -11.534 -1.315 -9.551 523 HE ARG 70 HE ARG 70 -10.025 0.101 -10.838 524 1HH1 ARG 70 1HH1 ARG 70 -13.439 0.873 -10.916 525 2HH1 ARG 70 2HH1 ARG 70 -13.182 2.541 -11.350 526 1HH2 ARG 70 1HH2 ARG 70 -9.675 2.251 -11.474 527 2HH2 ARG 70 2HH2 ARG 70 -11.038 3.309 -11.717 528 H ALA 71 H ALA 71 -8.202 -5.063 -11.639 529 HA ALA 71 HA ALA 71 -5.873 -3.667 -12.596 530 1HB ALA 71 1HB ALA 71 -5.960 -4.538 -10.321 531 2HB ALA 71 2HB ALA 71 -4.623 -5.237 -11.234 532 3HB ALA 71 3HB ALA 71 -6.089 -6.177 -10.956 533 H ALA 72 H ALA 72 -7.171 -6.977 -12.931 534 HA ALA 72 HA ALA 72 -5.270 -7.818 -14.818 535 1HB ALA 72 1HB ALA 72 -6.867 -9.556 -15.438 536 2HB ALA 72 2HB ALA 72 -8.139 -8.711 -14.553 537 3HB ALA 72 3HB ALA 72 -6.757 -9.384 -13.686 538 H ALA 73 H ALA 73 -8.038 -5.756 -15.048 539 HA ALA 73 HA ALA 73 -8.251 -5.721 -17.879 540 1HB ALA 73 1HB ALA 73 -8.999 -3.582 -15.892 541 2HB ALA 73 2HB ALA 73 -10.032 -4.916 -16.408 542 3HB ALA 73 3HB ALA 73 -9.539 -3.682 -17.567 543 H ARG 74 H ARG 74 -6.837 -3.233 -15.697 544 HA ARG 74 HA ARG 74 -5.587 -1.971 -17.973 545 1HB ARG 74 1HB ARG 74 -5.566 -1.236 -15.048 546 2HB ARG 74 2HB ARG 74 -4.798 -0.285 -16.314 547 1HG ARG 74 1HG ARG 74 -7.165 -0.348 -17.407 548 2HG ARG 74 2HG ARG 74 -7.697 -0.716 -15.765 549 1HD ARG 74 1HD ARG 74 -5.965 1.645 -16.467 550 2HD ARG 74 2HD ARG 74 -7.723 1.719 -16.408 551 HE ARG 74 HE ARG 74 -7.230 0.831 -13.973 552 1HH1 ARG 74 1HH1 ARG 74 -5.521 3.269 -15.793 553 2HH1 ARG 74 2HH1 ARG 74 -5.154 4.256 -14.409 554 1HH2 ARG 74 1HH2 ARG 74 -6.768 2.112 -12.122 555 2HH2 ARG 74 2HH2 ARG 74 -5.834 3.576 -12.309 556 H ALA 75 H ALA 75 -4.280 -3.268 -14.898 557 HA ALA 75 HA ALA 75 -1.578 -2.693 -15.331 558 1HB ALA 75 1HB ALA 75 -1.093 -4.366 -13.657 559 2HB ALA 75 2HB ALA 75 -2.712 -5.043 -13.825 560 3HB ALA 75 3HB ALA 75 -2.499 -3.413 -13.186 561 H GLY 76 H GLY 76 -3.361 -5.682 -16.111 562 1HA GLY 76 1HA GLY 76 -0.939 -6.703 -17.424 563 2HA GLY 76 2HA GLY 76 -2.305 -7.674 -16.901 564 H HIS 77 H HIS 77 -2.978 -4.725 -18.571 565 HA HIS 77 HA HIS 77 -4.313 -6.114 -20.671 566 1HB HIS 77 1HB HIS 77 -4.902 -3.807 -19.779 567 2HB HIS 77 2HB HIS 77 -3.526 -3.197 -20.690 568 HD1 HIS 77 HD1 HIS 77 -4.596 -1.924 -22.543 569 HD2 HIS 77 HD2 HIS 77 -6.309 -5.680 -22.012 570 HE1 HIS 77 HE1 HIS 77 -6.231 -2.203 -24.438 571 HE2 HIS 77 HE2 HIS 77 -7.397 -4.390 -23.972 572 H ALA 78 H ALA 78 -1.426 -4.061 -20.600 573 HA ALA 78 HA ALA 78 -0.289 -5.664 -22.761 574 1HB ALA 78 1HB ALA 78 0.469 -3.675 -23.960 575 2HB ALA 78 2HB ALA 78 -0.370 -2.647 -22.799 576 3HB ALA 78 3HB ALA 78 -1.291 -3.718 -23.855 577 H ALA 79 H ALA 79 0.975 -6.556 -21.088 578 HA ALA 79 HA ALA 79 2.816 -4.771 -19.682 579 1HB ALA 79 1HB ALA 79 1.689 -6.534 -18.403 580 2HB ALA 79 2HB ALA 79 3.441 -6.744 -18.392 581 3HB ALA 79 3HB ALA 79 2.438 -7.756 -19.432 582 H THR 80 H THR 80 2.856 -7.495 -21.926 583 HA THR 80 HA THR 80 5.689 -6.976 -22.472 584 HB THR 80 HB THR 80 4.038 -9.366 -23.325 585 HG1 THR 80 HG1 THR 80 6.017 -9.618 -21.369 586 1HG2 THR 80 1HG2 THR 80 6.225 -10.401 -23.742 587 2HG2 THR 80 2HG2 THR 80 7.025 -8.899 -23.276 588 3HG2 THR 80 3HG2 THR 80 6.012 -8.948 -24.718 Start of MODEL 11 1 H MET 1 H MET 1 11.019 0.499 2.502 2 HA MET 1 HA MET 1 8.716 0.665 1.840 3 1HB MET 1 1HB MET 1 9.025 0.811 -0.564 4 2HB MET 1 2HB MET 1 9.718 -0.804 -0.611 5 1HG MET 1 1HG MET 1 7.505 -1.666 0.204 6 2HG MET 1 2HG MET 1 6.865 -0.043 -0.045 7 1HE MET 1 1HE MET 1 5.409 -2.271 -2.980 8 2HE MET 1 2HE MET 1 5.003 -1.302 -1.564 9 3HE MET 1 3HE MET 1 5.828 -2.847 -1.366 10 H HIS 2 H HIS 2 7.242 -1.079 2.347 11 HA HIS 2 HA HIS 2 8.594 -3.628 2.928 12 1HB HIS 2 1HB HIS 2 7.009 -3.977 4.804 13 2HB HIS 2 2HB HIS 2 8.047 -2.581 5.047 14 HD1 HIS 2 HD1 HIS 2 6.932 -0.277 5.155 15 HD2 HIS 2 HD2 HIS 2 4.266 -3.396 4.475 16 HE1 HIS 2 HE1 HIS 2 4.644 0.698 5.513 17 HE2 HIS 2 HE2 HIS 2 3.037 -1.172 4.981 18 H ALA 3 H ALA 3 7.862 -5.304 1.862 19 HA ALA 3 HA ALA 3 5.123 -5.200 0.765 20 1HB ALA 3 1HB ALA 3 7.564 -6.471 -0.473 21 2HB ALA 3 2HB ALA 3 6.773 -4.992 -1.018 22 3HB ALA 3 3HB ALA 3 5.926 -6.534 -1.126 23 H LYS 4 H LYS 4 3.995 -7.226 0.699 24 HA LYS 4 HA LYS 4 5.181 -9.329 2.360 25 1HB LYS 4 1HB LYS 4 3.728 -7.776 3.737 26 2HB LYS 4 2HB LYS 4 2.363 -8.326 2.775 27 1HG LYS 4 1HG LYS 4 3.303 -10.699 3.522 28 2HG LYS 4 2HG LYS 4 3.897 -9.735 4.877 29 1HD LYS 4 1HD LYS 4 1.045 -9.955 3.929 30 2HD LYS 4 2HD LYS 4 1.722 -10.645 5.403 31 1HE LYS 4 1HE LYS 4 2.107 -8.459 6.316 32 2HE LYS 4 2HE LYS 4 1.641 -7.696 4.795 33 1HZ LYS 4 1HZ LYS 4 -0.163 -7.594 6.369 34 2HZ LYS 4 2HZ LYS 4 -0.137 -9.276 6.577 35 3HZ LYS 4 3HZ LYS 4 -0.589 -8.610 5.079 36 H VAL 5 H VAL 5 4.488 -11.377 1.922 37 HA VAL 5 HA VAL 5 2.903 -11.777 -0.482 38 HB VAL 5 HB VAL 5 4.875 -13.147 -0.341 39 1HG1 VAL 5 1HG1 VAL 5 5.270 -14.718 1.508 40 2HG1 VAL 5 2HG1 VAL 5 3.864 -14.062 2.349 41 3HG1 VAL 5 3HG1 VAL 5 5.269 -13.038 2.048 42 1HG2 VAL 5 1HG2 VAL 5 3.954 -15.409 -0.429 43 2HG2 VAL 5 2HG2 VAL 5 2.917 -14.260 -1.275 44 3HG2 VAL 5 3HG2 VAL 5 2.470 -14.837 0.331 45 H GLY 6 H GLY 6 0.872 -12.663 -0.501 46 1HA GLY 6 1HA GLY 6 -1.024 -13.723 0.506 47 2HA GLY 6 2HA GLY 6 -0.350 -13.354 2.090 48 H ASP 7 H ASP 7 0.140 -10.773 0.187 49 HA ASP 7 HA ASP 7 -2.395 -9.402 1.002 50 1HB ASP 7 1HB ASP 7 0.453 -8.646 1.391 51 2HB ASP 7 2HB ASP 7 -0.574 -7.375 0.741 52 H TYR 8 H TYR 8 -2.529 -7.327 -0.408 53 HA TYR 8 HA TYR 8 -2.193 -8.328 -3.149 54 1HB TYR 8 1HB TYR 8 -4.365 -6.585 -1.981 55 2HB TYR 8 2HB TYR 8 -4.241 -7.029 -3.685 56 HD1 TYR 8 HD1 TYR 8 -4.761 -9.243 -4.431 57 HD2 TYR 8 HD2 TYR 8 -4.925 -8.296 -0.294 58 HE1 TYR 8 HE1 TYR 8 -5.910 -11.370 -3.998 59 HE2 TYR 8 HE2 TYR 8 -6.073 -10.430 0.149 60 HH TYR 8 HH TYR 8 -6.146 -12.945 -2.030 61 H LEU 9 H LEU 9 -2.075 -6.681 -4.847 62 HA LEU 9 HA LEU 9 -0.278 -4.527 -3.980 63 1HB LEU 9 1HB LEU 9 0.644 -6.303 -5.462 64 2HB LEU 9 2HB LEU 9 -0.531 -5.863 -6.681 65 HG LEU 9 HG LEU 9 1.355 -3.760 -5.704 66 1HD1 LEU 9 1HD1 LEU 9 2.052 -5.919 -7.692 67 2HD1 LEU 9 2HD1 LEU 9 2.795 -5.681 -6.109 68 3HD1 LEU 9 3HD1 LEU 9 3.003 -4.468 -7.373 69 1HD2 LEU 9 1HD2 LEU 9 0.154 -4.404 -8.397 70 2HD2 LEU 9 2HD2 LEU 9 1.159 -3.005 -8.020 71 3HD2 LEU 9 3HD2 LEU 9 -0.430 -3.176 -7.275 72 H VAL 10 H VAL 10 -0.737 -2.477 -4.431 73 HA VAL 10 HA VAL 10 -2.714 -1.817 -6.497 74 HB VAL 10 HB VAL 10 -2.697 -0.848 -3.638 75 1HG1 VAL 10 1HG1 VAL 10 -2.617 1.166 -5.018 76 2HG1 VAL 10 2HG1 VAL 10 -4.201 0.974 -4.267 77 3HG1 VAL 10 3HG1 VAL 10 -3.979 0.574 -5.970 78 1HG2 VAL 10 1HG2 VAL 10 -4.893 -1.740 -5.498 79 2HG2 VAL 10 2HG2 VAL 10 -5.109 -1.227 -3.824 80 3HG2 VAL 10 3HG2 VAL 10 -4.185 -2.685 -4.188 81 H VAL 11 H VAL 11 -2.239 0.159 -7.583 82 HA VAL 11 HA VAL 11 0.252 1.484 -6.734 83 HB VAL 11 HB VAL 11 -0.608 0.952 -9.589 84 1HG1 VAL 11 1HG1 VAL 11 0.455 3.130 -9.393 85 2HG1 VAL 11 2HG1 VAL 11 1.512 1.995 -10.231 86 3HG1 VAL 11 3HG1 VAL 11 1.820 2.405 -8.543 87 1HG2 VAL 11 1HG2 VAL 11 0.309 -1.020 -8.492 88 2HG2 VAL 11 2HG2 VAL 11 1.735 -0.103 -8.005 89 3HG2 VAL 11 3HG2 VAL 11 1.422 -0.408 -9.715 90 H LYS 12 H LYS 12 0.297 3.696 -6.851 91 HA LYS 12 HA LYS 12 -2.231 5.058 -6.967 92 1HB LYS 12 1HB LYS 12 0.552 6.224 -6.775 93 2HB LYS 12 2HB LYS 12 -0.954 7.062 -6.437 94 1HG LYS 12 1HG LYS 12 -1.337 5.765 -4.485 95 2HG LYS 12 2HG LYS 12 -0.017 4.661 -4.889 96 1HD LYS 12 1HD LYS 12 1.535 6.630 -4.749 97 2HD LYS 12 2HD LYS 12 0.184 7.560 -4.102 98 1HE LYS 12 1HE LYS 12 0.143 6.369 -2.123 99 2HE LYS 12 2HE LYS 12 0.949 4.968 -2.830 100 1HZ LYS 12 1HZ LYS 12 2.382 6.283 -1.318 101 2HZ LYS 12 2HZ LYS 12 2.269 7.589 -2.390 102 3HZ LYS 12 3HZ LYS 12 3.000 6.147 -2.890 103 H GLY 13 H GLY 13 -2.713 4.445 -9.222 104 1HA GLY 13 1HA GLY 13 -1.174 5.710 -11.317 105 2HA GLY 13 2HA GLY 13 -2.691 4.840 -11.512 106 H THR 14 H THR 14 -1.220 7.913 -10.718 107 HA THR 14 HA THR 14 -1.981 10.058 -10.815 108 HB THR 14 HB THR 14 -4.542 8.987 -12.036 109 HG1 THR 14 HG1 THR 14 -3.020 8.183 -13.395 110 1HG2 THR 14 1HG2 THR 14 -3.099 11.622 -12.372 111 2HG2 THR 14 2HG2 THR 14 -4.575 11.366 -11.439 112 3HG2 THR 14 3HG2 THR 14 -4.589 11.148 -13.189 113 H THR 15 H THR 15 -4.131 11.382 -10.014 114 HA THR 15 HA THR 15 -4.738 10.418 -7.390 115 HB THR 15 HB THR 15 -6.177 12.668 -8.802 116 HG1 THR 15 HG1 THR 15 -4.505 14.009 -8.253 117 1HG2 THR 15 1HG2 THR 15 -6.368 13.575 -6.529 118 2HG2 THR 15 2HG2 THR 15 -5.507 12.172 -5.896 119 3HG2 THR 15 3HG2 THR 15 -7.093 11.971 -6.641 120 H THR 16 H THR 16 -5.618 8.348 -8.101 121 HA THR 16 HA THR 16 -8.380 8.538 -9.076 122 HB THR 16 HB THR 16 -7.994 5.971 -9.391 123 HG1 THR 16 HG1 THR 16 -5.372 6.492 -10.004 124 1HG2 THR 16 1HG2 THR 16 -7.108 6.364 -11.648 125 2HG2 THR 16 2HG2 THR 16 -6.664 8.007 -11.183 126 3HG2 THR 16 3HG2 THR 16 -8.363 7.531 -11.231 127 H GLU 17 H GLU 17 -9.932 8.242 -7.642 128 HA GLU 17 HA GLU 17 -9.431 7.379 -4.988 129 1HB GLU 17 1HB GLU 17 -11.532 8.637 -6.330 130 2HB GLU 17 2HB GLU 17 -12.205 7.098 -5.806 131 1HG GLU 17 1HG GLU 17 -10.835 9.103 -4.028 132 2HG GLU 17 2HG GLU 17 -12.576 8.875 -4.170 133 H ARG 18 H ARG 18 -9.941 5.463 -3.982 134 HA ARG 18 HA ARG 18 -10.162 3.211 -3.725 135 1HB ARG 18 1HB ARG 18 -12.047 3.569 -5.509 136 2HB ARG 18 2HB ARG 18 -10.901 2.808 -6.600 137 1HG ARG 18 1HG ARG 18 -10.834 0.834 -5.175 138 2HG ARG 18 2HG ARG 18 -11.968 1.599 -4.057 139 1HD ARG 18 1HD ARG 18 -13.416 1.862 -6.239 140 2HD ARG 18 2HD ARG 18 -12.429 0.511 -6.792 141 HE ARG 18 HE ARG 18 -13.230 -0.519 -4.534 142 1HH1 ARG 18 1HH1 ARG 18 -15.105 1.406 -6.793 143 2HH1 ARG 18 2HH1 ARG 18 -16.627 0.765 -6.267 144 1HH2 ARG 18 1HH2 ARG 18 -15.246 -1.360 -3.859 145 2HH2 ARG 18 2HH2 ARG 18 -16.713 -0.803 -4.616 146 H HIS 19 H HIS 19 -8.358 4.624 -6.276 147 HA HIS 19 HA HIS 19 -6.221 4.313 -6.980 148 1HB HIS 19 1HB HIS 19 -6.153 2.073 -4.957 149 2HB HIS 19 2HB HIS 19 -4.759 2.658 -5.861 150 HD1 HIS 19 HD1 HIS 19 -6.159 2.966 -2.658 151 HD2 HIS 19 HD2 HIS 19 -4.594 5.705 -5.367 152 HE1 HIS 19 HE1 HIS 19 -5.560 4.994 -1.298 153 HE2 HIS 19 HE2 HIS 19 -4.737 6.691 -2.976 154 H ASP 20 H ASP 20 -4.772 2.569 -8.066 155 HA ASP 20 HA ASP 20 -6.558 0.772 -9.577 156 1HB ASP 20 1HB ASP 20 -6.009 3.089 -10.649 157 2HB ASP 20 2HB ASP 20 -4.436 2.371 -10.973 158 H GLN 21 H GLN 21 -4.798 -0.248 -11.379 159 HA GLN 21 HA GLN 21 -3.493 -2.101 -11.555 160 1HB GLN 21 1HB GLN 21 -1.634 -0.242 -10.074 161 2HB GLN 21 2HB GLN 21 -1.124 -1.720 -10.881 162 1HG GLN 21 1HG GLN 21 -1.938 -0.827 -13.012 163 2HG GLN 21 2HG GLN 21 -2.415 0.661 -12.200 164 1HE2 GLN 21 1HE2 GLN 21 -1.076 1.911 -13.465 165 2HE2 GLN 21 2HE2 GLN 21 0.642 1.903 -13.300 166 H HIS 22 H HIS 22 -4.420 -3.768 -10.444 167 HA HIS 22 HA HIS 22 -3.546 -4.155 -7.664 168 1HB HIS 22 1HB HIS 22 -5.760 -3.082 -7.653 169 2HB HIS 22 2HB HIS 22 -6.393 -4.389 -8.643 170 HD1 HIS 22 HD1 HIS 22 -6.628 -6.739 -7.468 171 HD2 HIS 22 HD2 HIS 22 -5.679 -3.575 -4.956 172 HE1 HIS 22 HE1 HIS 22 -7.091 -7.565 -5.143 173 HE2 HIS 22 HE2 HIS 22 -6.790 -5.527 -3.691 174 H ALA 23 H ALA 23 -3.355 -6.232 -6.967 175 HA ALA 23 HA ALA 23 -4.388 -8.558 -8.306 176 1HB ALA 23 1HB ALA 23 -2.293 -9.493 -9.061 177 2HB ALA 23 2HB ALA 23 -1.438 -8.020 -8.601 178 3HB ALA 23 3HB ALA 23 -2.630 -7.982 -9.903 179 H GLU 24 H GLU 24 -3.081 -10.525 -7.420 180 HA GLU 24 HA GLU 24 -2.814 -10.123 -4.521 181 1HB GLU 24 1HB GLU 24 -4.443 -11.800 -5.266 182 2HB GLU 24 2HB GLU 24 -3.181 -12.658 -6.136 183 1HG GLU 24 1HG GLU 24 -2.114 -13.310 -4.119 184 2HG GLU 24 2HG GLU 24 -3.126 -12.229 -3.162 185 H ILE 25 H ILE 25 -0.861 -10.168 -3.585 186 HA ILE 25 HA ILE 25 1.428 -10.918 -5.242 187 HB ILE 25 HB ILE 25 1.551 -9.752 -2.463 188 1HG1 ILE 25 1HG1 ILE 25 1.506 -8.246 -5.090 189 2HG1 ILE 25 2HG1 ILE 25 0.188 -8.278 -3.923 190 1HG2 ILE 25 1HG2 ILE 25 3.482 -9.746 -4.784 191 2HG2 ILE 25 2HG2 ILE 25 3.604 -10.743 -3.334 192 3HG2 ILE 25 3HG2 ILE 25 3.759 -8.991 -3.214 193 1HD1 ILE 25 1HD1 ILE 25 1.478 -6.232 -3.744 194 2HD1 ILE 25 2HD1 ILE 25 2.944 -7.166 -3.445 195 3HD1 ILE 25 3HD1 ILE 25 1.625 -7.196 -2.274 196 H ILE 26 H ILE 26 1.842 -13.021 -5.212 197 HA ILE 26 HA ILE 26 1.804 -14.413 -2.626 198 HB ILE 26 HB ILE 26 1.646 -16.520 -4.137 199 1HG1 ILE 26 1HG1 ILE 26 0.133 -15.981 -6.145 200 2HG1 ILE 26 2HG1 ILE 26 0.719 -14.332 -5.999 201 1HG2 ILE 26 1HG2 ILE 26 -0.800 -16.397 -4.028 202 2HG2 ILE 26 2HG2 ILE 26 -0.689 -14.666 -3.709 203 3HG2 ILE 26 3HG2 ILE 26 -0.039 -15.821 -2.544 204 1HD1 ILE 26 1HD1 ILE 26 2.996 -15.103 -6.377 205 2HD1 ILE 26 2HD1 ILE 26 1.929 -15.566 -7.703 206 3HD1 ILE 26 3HD1 ILE 26 2.417 -16.762 -6.503 207 H GLU 27 H GLU 27 3.838 -13.342 -5.112 208 HA GLU 27 HA GLU 27 6.029 -14.731 -3.766 209 1HB GLU 27 1HB GLU 27 5.498 -14.780 -6.712 210 2HB GLU 27 2HB GLU 27 7.156 -14.805 -6.126 211 1HG GLU 27 1HG GLU 27 6.457 -16.782 -4.697 212 2HG GLU 27 2HG GLU 27 4.991 -16.829 -5.678 213 H VAL 28 H VAL 28 7.084 -13.154 -2.838 214 HA VAL 28 HA VAL 28 7.423 -10.616 -4.268 215 HB VAL 28 HB VAL 28 7.853 -11.198 -1.332 216 1HG1 VAL 28 1HG1 VAL 28 9.205 -9.339 -2.130 217 2HG1 VAL 28 2HG1 VAL 28 7.898 -8.754 -1.101 218 3HG1 VAL 28 3HG1 VAL 28 7.779 -8.594 -2.854 219 1HG2 VAL 28 1HG2 VAL 28 5.517 -11.420 -1.944 220 2HG2 VAL 28 2HG2 VAL 28 5.564 -9.855 -2.757 221 3HG2 VAL 28 3HG2 VAL 28 5.764 -9.947 -1.006 222 H ARG 29 H ARG 29 9.367 -10.066 -5.025 223 HA ARG 29 HA ARG 29 11.514 -11.942 -4.894 224 1HB ARG 29 1HB ARG 29 10.855 -10.479 -6.866 225 2HB ARG 29 2HB ARG 29 11.629 -9.149 -6.018 226 1HG ARG 29 1HG ARG 29 13.758 -10.224 -6.134 227 2HG ARG 29 2HG ARG 29 13.031 -11.706 -6.760 228 1HD ARG 29 1HD ARG 29 13.208 -9.029 -8.140 229 2HD ARG 29 2HD ARG 29 14.022 -10.527 -8.599 230 HE ARG 29 HE ARG 29 11.082 -10.327 -8.623 231 1HH1 ARG 29 1HH1 ARG 29 14.097 -11.026 -10.265 232 2HH1 ARG 29 2HH1 ARG 29 13.315 -11.588 -11.716 233 1HH2 ARG 29 1HH2 ARG 29 10.063 -11.085 -10.489 234 2HH2 ARG 29 2HH2 ARG 29 11.009 -11.641 -11.839 235 H SER 30 H SER 30 10.833 -8.843 -3.410 236 HA SER 30 HA SER 30 12.995 -9.307 -1.519 237 1HB SER 30 1HB SER 30 14.067 -7.887 -3.181 238 2HB SER 30 2HB SER 30 12.720 -6.751 -3.125 239 HG SER 30 HG SER 30 14.792 -7.180 -1.288 240 H ALA 31 H ALA 31 12.502 -8.615 0.515 241 HA ALA 31 HA ALA 31 9.773 -8.109 1.096 242 1HB ALA 31 1HB ALA 31 11.262 -9.322 2.619 243 2HB ALA 31 2HB ALA 31 10.486 -7.952 3.413 244 3HB ALA 31 3HB ALA 31 12.170 -7.836 2.904 245 H ASP 32 H ASP 32 12.388 -6.051 0.316 246 HA ASP 32 HA ASP 32 11.164 -3.708 1.540 247 1HB ASP 32 1HB ASP 32 13.735 -4.220 1.270 248 2HB ASP 32 2HB ASP 32 13.494 -3.539 -0.335 249 H GLY 33 H GLY 33 10.551 -5.493 -1.098 250 1HA GLY 33 1HA GLY 33 9.011 -5.025 -2.768 251 2HA GLY 33 2HA GLY 33 9.098 -3.324 -2.337 252 H SER 34 H SER 34 10.240 -5.798 -4.411 253 HA SER 34 HA SER 34 11.584 -3.778 -6.036 254 1HB SER 34 1HB SER 34 12.787 -6.479 -5.362 255 2HB SER 34 2HB SER 34 13.445 -5.330 -6.528 256 HG SER 34 HG SER 34 13.520 -3.812 -4.697 257 HA PRO 35 HA PRO 35 8.981 -5.934 -8.981 258 1HB PRO 35 1HB PRO 35 9.898 -3.971 -10.916 259 2HB PRO 35 2HB PRO 35 8.294 -4.152 -10.203 260 1HG PRO 35 1HG PRO 35 9.948 -2.051 -9.676 261 2HG PRO 35 2HG PRO 35 8.732 -2.647 -8.532 262 1HD PRO 35 1HD PRO 35 11.686 -3.140 -8.593 263 2HD PRO 35 2HD PRO 35 10.620 -2.839 -7.203 264 HA PRO 36 HA PRO 36 8.284 -6.420 -10.985 265 1HB PRO 36 1HB PRO 36 7.947 -8.653 -12.427 266 2HB PRO 36 2HB PRO 36 8.574 -7.164 -13.142 267 1HG PRO 36 1HG PRO 36 10.035 -9.629 -12.316 268 2HG PRO 36 2HG PRO 36 10.308 -8.574 -13.712 269 1HD PRO 36 1HD PRO 36 11.753 -8.512 -11.341 270 2HD PRO 36 2HD PRO 36 11.680 -7.200 -12.531 271 H TYR 37 H TYR 37 6.500 -7.891 -10.434 272 HA TYR 37 HA TYR 37 7.245 -9.640 -8.165 273 1HB TYR 37 1HB TYR 37 4.710 -8.078 -8.701 274 2HB TYR 37 2HB TYR 37 4.903 -9.230 -7.385 275 HD1 TYR 37 HD1 TYR 37 6.260 -8.693 -5.448 276 HD2 TYR 37 HD2 TYR 37 5.825 -5.916 -8.642 277 HE1 TYR 37 HE1 TYR 37 7.145 -6.904 -4.009 278 HE2 TYR 37 HE2 TYR 37 6.710 -4.125 -7.217 279 HH TYR 37 HH TYR 37 6.953 -3.604 -4.853 280 H VAL 38 H VAL 38 6.131 -11.650 -7.944 281 HA VAL 38 HA VAL 38 4.800 -12.541 -10.402 282 HB VAL 38 HB VAL 38 5.731 -14.195 -8.043 283 1HG1 VAL 38 1HG1 VAL 38 4.489 -15.032 -10.668 284 2HG1 VAL 38 2HG1 VAL 38 3.730 -15.143 -9.081 285 3HG1 VAL 38 3HG1 VAL 38 5.144 -16.128 -9.453 286 1HG2 VAL 38 1HG2 VAL 38 6.783 -13.963 -10.861 287 2HG2 VAL 38 2HG2 VAL 38 7.371 -15.089 -9.638 288 3HG2 VAL 38 3HG2 VAL 38 7.570 -13.351 -9.408 289 H VAL 39 H VAL 39 2.723 -12.432 -10.473 290 HA VAL 39 HA VAL 39 1.307 -11.974 -7.946 291 HB VAL 39 HB VAL 39 1.763 -10.220 -10.115 292 1HG1 VAL 39 1HG1 VAL 39 -0.501 -9.537 -10.738 293 2HG1 VAL 39 2HG1 VAL 39 -1.158 -10.914 -9.853 294 3HG1 VAL 39 3HG1 VAL 39 -0.145 -11.180 -11.272 295 1HG2 VAL 39 1HG2 VAL 39 1.710 -9.577 -7.793 296 2HG2 VAL 39 2HG2 VAL 39 -0.005 -9.972 -7.695 297 3HG2 VAL 39 3HG2 VAL 39 0.534 -8.631 -8.706 298 H ARG 40 H ARG 40 -0.825 -12.620 -7.832 299 HA ARG 40 HA ARG 40 -1.751 -14.396 -9.993 300 1HB ARG 40 1HB ARG 40 -1.308 -15.589 -7.886 301 2HB ARG 40 2HB ARG 40 -2.367 -14.480 -7.029 302 1HG ARG 40 1HG ARG 40 -4.246 -15.284 -8.446 303 2HG ARG 40 2HG ARG 40 -3.153 -16.498 -9.115 304 1HD ARG 40 1HD ARG 40 -3.922 -16.183 -6.215 305 2HD ARG 40 2HD ARG 40 -4.491 -17.439 -7.311 306 HE ARG 40 HE ARG 40 -1.924 -17.938 -7.442 307 1HH1 ARG 40 1HH1 ARG 40 -3.640 -16.840 -4.600 308 2HH1 ARG 40 2HH1 ARG 40 -2.710 -17.828 -3.508 309 1HH2 ARG 40 1HH2 ARG 40 -0.668 -19.178 -6.028 310 2HH2 ARG 40 2HH2 ARG 40 -0.985 -19.140 -4.318 311 H TRP 41 H TRP 41 -3.686 -13.839 -10.937 312 HA TRP 41 HA TRP 41 -5.166 -11.578 -9.951 313 1HB TRP 41 1HB TRP 41 -6.087 -13.714 -11.918 314 2HB TRP 41 2HB TRP 41 -6.802 -12.123 -11.686 315 HD1 TRP 41 HD1 TRP 41 -5.001 -13.699 -14.225 316 HE1 TRP 41 HE1 TRP 41 -3.438 -12.127 -15.522 317 HE3 TRP 41 HE3 TRP 41 -4.741 -9.839 -10.871 318 HZ2 TRP 41 HZ2 TRP 41 -2.234 -9.612 -15.174 319 HZ3 TRP 41 HZ3 TRP 41 -3.347 -7.890 -11.437 320 HH2 TRP 41 HH2 TRP 41 -2.120 -7.782 -13.544 321 H LEU 42 H LEU 42 -5.493 -12.083 -7.901 322 HA LEU 42 HA LEU 42 -5.783 -14.099 -6.366 323 1HB LEU 42 1HB LEU 42 -7.729 -12.756 -5.192 324 2HB LEU 42 2HB LEU 42 -6.067 -12.193 -5.215 325 HG LEU 42 HG LEU 42 -7.748 -11.297 -7.478 326 1HD1 LEU 42 1HD1 LEU 42 -8.787 -9.533 -6.155 327 2HD1 LEU 42 2HD1 LEU 42 -8.147 -10.263 -4.682 328 3HD1 LEU 42 3HD1 LEU 42 -9.337 -11.131 -5.652 329 1HD2 LEU 42 1HD2 LEU 42 -5.822 -9.899 -5.637 330 2HD2 LEU 42 2HD2 LEU 42 -6.572 -9.205 -7.076 331 3HD2 LEU 42 3HD2 LEU 42 -5.451 -10.559 -7.229 332 H VAL 43 H VAL 43 -8.995 -12.887 -7.446 333 HA VAL 43 HA VAL 43 -9.976 -15.506 -6.611 334 HB VAL 43 HB VAL 43 -12.251 -14.113 -6.986 335 1HG1 VAL 43 1HG1 VAL 43 -10.472 -14.033 -4.553 336 2HG1 VAL 43 2HG1 VAL 43 -11.623 -15.307 -4.960 337 3HG1 VAL 43 3HG1 VAL 43 -12.200 -13.688 -4.561 338 1HG2 VAL 43 1HG2 VAL 43 -11.940 -11.844 -6.113 339 2HG2 VAL 43 2HG2 VAL 43 -11.098 -12.063 -7.647 340 3HG2 VAL 43 3HG2 VAL 43 -10.193 -12.081 -6.133 341 H ASN 44 H ASN 44 -9.087 -14.100 -9.434 342 HA ASN 44 HA ASN 44 -11.135 -15.418 -11.036 343 1HB ASN 44 1HB ASN 44 -8.725 -13.764 -11.733 344 2HB ASN 44 2HB ASN 44 -9.559 -14.712 -12.960 345 1HD2 ASN 44 1HD2 ASN 44 -11.127 -13.165 -10.241 346 2HD2 ASN 44 2HD2 ASN 44 -11.980 -11.982 -11.157 347 H GLY 45 H GLY 45 -7.659 -15.736 -10.398 348 1HA GLY 45 1HA GLY 45 -6.711 -17.867 -9.921 349 2HA GLY 45 2HA GLY 45 -7.996 -18.617 -10.853 350 H HIS 46 H HIS 46 -5.218 -16.448 -11.248 351 HA HIS 46 HA HIS 46 -3.931 -18.214 -13.025 352 1HB HIS 46 1HB HIS 46 -5.537 -17.324 -14.650 353 2HB HIS 46 2HB HIS 46 -4.996 -15.686 -14.313 354 HD1 HIS 46 HD1 HIS 46 -3.864 -18.914 -15.921 355 HD2 HIS 46 HD2 HIS 46 -2.693 -14.923 -15.663 356 HE1 HIS 46 HE1 HIS 46 -2.047 -18.620 -17.640 357 HE2 HIS 46 HE2 HIS 46 -1.309 -16.221 -17.431 358 H GLU 47 H GLU 47 -1.812 -17.729 -13.194 359 HA GLU 47 HA GLU 47 -0.978 -15.424 -11.548 360 1HB GLU 47 1HB GLU 47 0.306 -18.159 -11.726 361 2HB GLU 47 2HB GLU 47 0.839 -16.832 -10.698 362 1HG GLU 47 1HG GLU 47 -1.148 -16.937 -9.396 363 2HG GLU 47 2HG GLU 47 -1.897 -18.066 -10.520 364 H THR 48 H THR 48 0.849 -14.276 -12.142 365 HA THR 48 HA THR 48 2.277 -14.905 -14.567 366 HB THR 48 HB THR 48 0.258 -14.048 -15.544 367 HG1 THR 48 HG1 THR 48 1.821 -13.334 -16.807 368 1HG2 THR 48 1HG2 THR 48 0.641 -11.583 -13.846 369 2HG2 THR 48 2HG2 THR 48 -0.648 -12.772 -13.678 370 3HG2 THR 48 3HG2 THR 48 -0.567 -11.761 -15.120 371 H THR 49 H THR 49 3.554 -12.852 -15.224 372 HA THR 49 HA THR 49 4.774 -11.779 -12.763 373 HB THR 49 HB THR 49 6.020 -11.897 -15.521 374 HG1 THR 49 HG1 THR 49 5.498 -13.986 -14.323 375 1HG2 THR 49 1HG2 THR 49 7.210 -11.429 -12.778 376 2HG2 THR 49 2HG2 THR 49 6.991 -10.211 -14.034 377 3HG2 THR 49 3HG2 THR 49 8.121 -11.541 -14.286 378 H VAL 50 H VAL 50 4.062 -9.782 -12.327 379 HA VAL 50 HA VAL 50 3.245 -8.098 -14.594 380 HB VAL 50 HB VAL 50 1.856 -6.836 -13.013 381 1HG1 VAL 50 1HG1 VAL 50 0.156 -8.558 -12.647 382 2HG1 VAL 50 2HG1 VAL 50 1.352 -9.806 -12.997 383 3HG1 VAL 50 3HG1 VAL 50 0.869 -8.668 -14.257 384 1HG2 VAL 50 1HG2 VAL 50 1.456 -7.707 -10.759 385 2HG2 VAL 50 2HG2 VAL 50 3.130 -7.197 -10.977 386 3HG2 VAL 50 3HG2 VAL 50 2.721 -8.913 -11.004 387 H TYR 51 H TYR 51 3.721 -5.918 -14.637 388 HA TYR 51 HA TYR 51 5.926 -5.047 -12.892 389 1HB TYR 51 1HB TYR 51 5.290 -4.033 -15.673 390 2HB TYR 51 2HB TYR 51 6.703 -3.638 -14.702 391 HD1 TYR 51 HD1 TYR 51 8.488 -5.322 -14.376 392 HD2 TYR 51 HD2 TYR 51 5.180 -6.054 -16.952 393 HE1 TYR 51 HE1 TYR 51 9.715 -7.183 -15.417 394 HE2 TYR 51 HE2 TYR 51 6.400 -7.912 -17.995 395 HH TYR 51 HH TYR 51 8.863 -8.563 -18.304 396 HA PRO 52 HA PRO 52 2.539 -2.184 -11.850 397 1HB PRO 52 1HB PRO 52 3.170 -1.880 -9.272 398 2HB PRO 52 2HB PRO 52 2.408 -3.367 -9.850 399 1HG PRO 52 1HG PRO 52 5.276 -2.836 -9.197 400 2HG PRO 52 2HG PRO 52 4.292 -4.269 -8.846 401 1HD PRO 52 1HD PRO 52 6.061 -4.043 -10.964 402 2HD PRO 52 2HD PRO 52 4.706 -5.188 -10.891 403 H GLY 53 H GLY 53 2.583 0.056 -11.002 404 1HA GLY 53 1HA GLY 53 4.753 1.596 -11.970 405 2HA GLY 53 2HA GLY 53 3.441 2.189 -10.959 406 H SER 54 H SER 54 6.030 3.129 -10.662 407 HA SER 54 HA SER 54 7.466 1.701 -8.642 408 1HB SER 54 1HB SER 54 7.807 4.587 -9.477 409 2HB SER 54 2HB SER 54 9.020 3.524 -8.753 410 HG SER 54 HG SER 54 9.243 2.469 -10.629 411 H ASP 55 H ASP 55 4.697 2.450 -7.989 412 HA ASP 55 HA ASP 55 5.232 3.692 -5.410 413 1HB ASP 55 1HB ASP 55 4.328 5.350 -7.285 414 2HB ASP 55 2HB ASP 55 2.786 4.620 -6.853 415 H ALA 56 H ALA 56 4.999 1.184 -5.537 416 HA ALA 56 HA ALA 56 2.302 0.180 -5.624 417 1HB ALA 56 1HB ALA 56 4.160 -1.129 -6.530 418 2HB ALA 56 2HB ALA 56 3.294 -1.999 -5.264 419 3HB ALA 56 3HB ALA 56 4.855 -1.254 -4.914 420 H VAL 57 H VAL 57 1.019 -0.348 -3.993 421 HA VAL 57 HA VAL 57 2.026 -0.220 -1.224 422 HB VAL 57 HB VAL 57 -0.740 0.699 -2.022 423 1HG1 VAL 57 1HG1 VAL 57 0.902 1.169 0.458 424 2HG1 VAL 57 2HG1 VAL 57 -0.468 0.070 0.305 425 3HG1 VAL 57 3HG1 VAL 57 -0.711 1.811 0.159 426 1HG2 VAL 57 1HG2 VAL 57 1.683 2.451 -1.630 427 2HG2 VAL 57 2HG2 VAL 57 0.025 3.016 -1.838 428 3HG2 VAL 57 3HG2 VAL 57 0.840 2.169 -3.154 429 H VAL 58 H VAL 58 0.667 -1.541 0.271 430 HA VAL 58 HA VAL 58 -0.301 -3.909 -1.103 431 HB VAL 58 HB VAL 58 -0.170 -4.807 1.321 432 1HG1 VAL 58 1HG1 VAL 58 2.307 -4.114 -0.244 433 2HG1 VAL 58 2HG1 VAL 58 1.287 -5.531 -0.490 434 3HG1 VAL 58 3HG1 VAL 58 2.202 -5.353 1.005 435 1HG2 VAL 58 1HG2 VAL 58 0.133 -2.669 2.428 436 2HG2 VAL 58 2HG2 VAL 58 1.621 -2.404 1.520 437 3HG2 VAL 58 3HG2 VAL 58 1.527 -3.714 2.695 438 H VAL 59 H VAL 59 -2.219 -4.925 -0.550 439 HA VAL 59 HA VAL 59 -4.165 -3.442 1.067 440 HB VAL 59 HB VAL 59 -5.701 -4.583 -0.900 441 1HG1 VAL 59 1HG1 VAL 59 -4.650 -1.768 -0.750 442 2HG1 VAL 59 2HG1 VAL 59 -6.066 -2.405 0.089 443 3HG1 VAL 59 3HG1 VAL 59 -6.065 -2.278 -1.671 444 1HG2 VAL 59 1HG2 VAL 59 -4.777 -3.821 -3.029 445 2HG2 VAL 59 2HG2 VAL 59 -3.769 -5.060 -2.281 446 3HG2 VAL 59 3HG2 VAL 59 -3.284 -3.365 -2.207 447 H THR 60 H THR 60 -6.206 -4.881 1.296 448 HA THR 60 HA THR 60 -5.296 -7.612 1.967 449 HB THR 60 HB THR 60 -7.187 -7.212 3.833 450 HG1 THR 60 HG1 THR 60 -6.081 -4.630 3.739 451 1HG2 THR 60 1HG2 THR 60 -4.853 -7.792 4.270 452 2HG2 THR 60 2HG2 THR 60 -5.405 -6.528 5.368 453 3HG2 THR 60 3HG2 THR 60 -4.382 -6.117 3.991 454 H ALA 61 H ALA 61 -7.768 -8.598 2.872 455 HA ALA 61 HA ALA 61 -8.609 -9.776 0.520 456 1HB ALA 61 1HB ALA 61 -8.750 -10.807 2.730 457 2HB ALA 61 2HB ALA 61 -10.268 -10.906 1.839 458 3HB ALA 61 3HB ALA 61 -10.085 -9.726 3.135 459 H THR 62 H THR 62 -10.284 -7.128 2.290 460 HA THR 62 HA THR 62 -12.633 -7.378 0.660 461 HB THR 62 HB THR 62 -12.937 -4.939 1.526 462 HG1 THR 62 HG1 THR 62 -11.191 -4.336 2.572 463 1HG2 THR 62 1HG2 THR 62 -13.045 -7.328 3.348 464 2HG2 THR 62 2HG2 THR 62 -14.290 -6.845 2.196 465 3HG2 THR 62 3HG2 THR 62 -13.926 -5.818 3.581 466 H GLU 63 H GLU 63 -9.883 -5.230 0.707 467 HA GLU 63 HA GLU 63 -10.615 -3.617 -1.476 468 1HB GLU 63 1HB GLU 63 -7.746 -4.182 -0.834 469 2HB GLU 63 2HB GLU 63 -8.509 -2.664 -1.282 470 1HG GLU 63 1HG GLU 63 -8.690 -4.055 1.379 471 2HG GLU 63 2HG GLU 63 -7.802 -2.579 1.014 472 H HIS 64 H HIS 64 -9.631 -6.827 -1.288 473 HA HIS 64 HA HIS 64 -8.049 -6.977 -3.628 474 1HB HIS 64 1HB HIS 64 -7.584 -9.062 -2.963 475 2HB HIS 64 2HB HIS 64 -8.346 -8.564 -1.478 476 HD1 HIS 64 HD1 HIS 64 -8.108 -11.532 -2.173 477 HD2 HIS 64 HD2 HIS 64 -11.482 -9.261 -3.050 478 HE1 HIS 64 HE1 HIS 64 -10.002 -13.166 -2.362 479 HE2 HIS 64 HE2 HIS 64 -12.050 -11.767 -2.781 480 H ALA 65 H ALA 65 -11.506 -7.126 -3.151 481 HA ALA 65 HA ALA 65 -11.958 -8.908 -5.368 482 1HB ALA 65 1HB ALA 65 -13.937 -7.303 -3.755 483 2HB ALA 65 2HB ALA 65 -13.360 -8.921 -3.354 484 3HB ALA 65 3HB ALA 65 -14.303 -8.661 -4.821 485 H GLU 66 H GLU 66 -13.411 -5.771 -4.759 486 HA GLU 66 HA GLU 66 -14.254 -5.365 -7.394 487 1HB GLU 66 1HB GLU 66 -14.225 -2.861 -6.259 488 2HB GLU 66 2HB GLU 66 -15.522 -4.036 -6.099 489 1HG GLU 66 1HG GLU 66 -15.096 -3.363 -3.900 490 2HG GLU 66 2HG GLU 66 -14.246 -4.901 -4.043 491 H ALA 67 H ALA 67 -11.421 -4.227 -5.633 492 HA ALA 67 HA ALA 67 -10.396 -2.628 -7.736 493 1HB ALA 67 1HB ALA 67 -9.717 -2.339 -5.403 494 2HB ALA 67 2HB ALA 67 -8.331 -2.586 -6.465 495 3HB ALA 67 3HB ALA 67 -8.910 -3.906 -5.451 496 H GLU 68 H GLU 68 -10.141 -6.094 -7.021 497 HA GLU 68 HA GLU 68 -8.012 -6.709 -8.746 498 1HB GLU 68 1HB GLU 68 -8.994 -8.450 -7.348 499 2HB GLU 68 2HB GLU 68 -10.519 -8.325 -8.220 500 1HG GLU 68 1HG GLU 68 -9.081 -8.896 -10.301 501 2HG GLU 68 2HG GLU 68 -7.917 -9.482 -9.116 502 H LYS 69 H LYS 69 -11.502 -6.707 -9.396 503 HA LYS 69 HA LYS 69 -11.401 -7.294 -12.088 504 1HB LYS 69 1HB LYS 69 -13.337 -5.530 -10.596 505 2HB LYS 69 2HB LYS 69 -13.575 -6.035 -12.262 506 1HG LYS 69 1HG LYS 69 -13.256 -7.959 -9.968 507 2HG LYS 69 2HG LYS 69 -14.814 -7.380 -10.555 508 1HD LYS 69 1HD LYS 69 -14.515 -9.442 -11.635 509 2HD LYS 69 2HD LYS 69 -14.069 -8.245 -12.850 510 1HE LYS 69 1HE LYS 69 -11.675 -8.587 -12.128 511 2HE LYS 69 2HE LYS 69 -12.241 -9.960 -11.181 512 1HZ LYS 69 1HZ LYS 69 -11.427 -10.675 -13.328 513 2HZ LYS 69 2HZ LYS 69 -12.508 -9.642 -14.123 514 3HZ LYS 69 3HZ LYS 69 -13.097 -10.956 -13.227 515 H ARG 70 H ARG 70 -11.719 -3.965 -10.794 516 HA ARG 70 HA ARG 70 -11.415 -2.811 -13.380 517 1HB ARG 70 1HB ARG 70 -11.029 -1.510 -10.677 518 2HB ARG 70 2HB ARG 70 -11.257 -0.667 -12.201 519 1HG ARG 70 1HG ARG 70 -13.271 -2.479 -10.884 520 2HG ARG 70 2HG ARG 70 -13.303 -0.715 -10.875 521 1HD ARG 70 1HD ARG 70 -13.424 -2.443 -13.344 522 2HD ARG 70 2HD ARG 70 -14.816 -1.692 -12.566 523 HE ARG 70 HE ARG 70 -12.720 0.150 -13.315 524 1HH1 ARG 70 1HH1 ARG 70 -15.679 -1.456 -14.309 525 2HH1 ARG 70 2HH1 ARG 70 -16.025 -0.294 -15.552 526 1HH2 ARG 70 1HH2 ARG 70 -13.207 1.690 -14.918 527 2HH2 ARG 70 2HH2 ARG 70 -14.637 1.502 -15.885 528 H ALA 71 H ALA 71 -9.179 -3.033 -10.636 529 HA ALA 71 HA ALA 71 -7.237 -1.454 -12.008 530 1HB ALA 71 1HB ALA 71 -7.003 -2.891 -9.382 531 2HB ALA 71 2HB ALA 71 -7.602 -1.247 -9.609 532 3HB ALA 71 3HB ALA 71 -5.925 -1.637 -9.996 533 H ALA 72 H ALA 72 -7.698 -4.931 -11.576 534 HA ALA 72 HA ALA 72 -5.024 -5.505 -12.505 535 1HB ALA 72 1HB ALA 72 -5.709 -7.823 -12.731 536 2HB ALA 72 2HB ALA 72 -7.390 -7.378 -12.446 537 3HB ALA 72 3HB ALA 72 -6.197 -7.189 -11.160 538 H ALA 73 H ALA 73 -8.216 -5.104 -13.930 539 HA ALA 73 HA ALA 73 -7.686 -5.917 -16.532 540 1HB ALA 73 1HB ALA 73 -9.426 -4.355 -17.229 541 2HB ALA 73 2HB ALA 73 -9.333 -3.540 -15.666 542 3HB ALA 73 3HB ALA 73 -9.897 -5.208 -15.758 543 H ARG 74 H ARG 74 -6.984 -2.791 -14.957 544 HA ARG 74 HA ARG 74 -5.610 -1.847 -17.318 545 1HB ARG 74 1HB ARG 74 -6.714 -0.232 -15.889 546 2HB ARG 74 2HB ARG 74 -5.698 -0.693 -14.529 547 1HG ARG 74 1HG ARG 74 -3.980 0.564 -15.224 548 2HG ARG 74 2HG ARG 74 -4.216 0.138 -16.918 549 1HD ARG 74 1HD ARG 74 -4.580 2.518 -16.556 550 2HD ARG 74 2HD ARG 74 -6.068 1.722 -17.061 551 HE ARG 74 HE ARG 74 -6.203 1.702 -14.340 552 1HH1 ARG 74 1HH1 ARG 74 -5.669 4.224 -16.724 553 2HH1 ARG 74 2HH1 ARG 74 -6.496 5.445 -15.795 554 1HH2 ARG 74 1HH2 ARG 74 -7.277 3.294 -13.128 555 2HH2 ARG 74 2HH2 ARG 74 -7.403 4.916 -13.753 556 H ALA 75 H ALA 75 -4.537 -3.087 -14.149 557 HA ALA 75 HA ALA 75 -1.791 -2.638 -14.350 558 1HB ALA 75 1HB ALA 75 -1.518 -4.432 -12.744 559 2HB ALA 75 2HB ALA 75 -3.144 -5.022 -13.089 560 3HB ALA 75 3HB ALA 75 -2.921 -3.448 -12.327 561 H GLY 76 H GLY 76 -3.572 -5.586 -15.342 562 1HA GLY 76 1HA GLY 76 -1.231 -6.865 -16.361 563 2HA GLY 76 2HA GLY 76 -2.890 -7.376 -16.629 564 H HIS 77 H HIS 77 -3.321 -4.495 -17.635 565 HA HIS 77 HA HIS 77 -2.717 -5.095 -20.406 566 1HB HIS 77 1HB HIS 77 -4.918 -4.137 -19.690 567 2HB HIS 77 2HB HIS 77 -4.083 -2.659 -19.232 568 HD1 HIS 77 HD1 HIS 77 -3.810 -0.937 -21.009 569 HD2 HIS 77 HD2 HIS 77 -4.762 -4.681 -22.558 570 HE1 HIS 77 HE1 HIS 77 -4.226 -0.574 -23.463 571 HE2 HIS 77 HE2 HIS 77 -4.673 -2.868 -24.406 572 H ALA 78 H ALA 78 -1.279 -3.467 -17.834 573 HA ALA 78 HA ALA 78 0.212 -1.594 -19.498 574 1HB ALA 78 1HB ALA 78 1.151 -0.787 -17.388 575 2HB ALA 78 2HB ALA 78 0.325 -2.080 -16.519 576 3HB ALA 78 3HB ALA 78 -0.611 -0.821 -17.326 577 H ALA 79 H ALA 79 0.400 -4.747 -19.050 578 HA ALA 79 HA ALA 79 3.098 -5.239 -18.377 579 1HB ALA 79 1HB ALA 79 2.755 -7.425 -19.416 580 2HB ALA 79 2HB ALA 79 1.241 -6.857 -20.121 581 3HB ALA 79 3HB ALA 79 1.399 -6.997 -18.370 582 H THR 80 H THR 80 4.851 -4.690 -19.476 583 HA THR 80 HA THR 80 4.560 -3.836 -22.260 584 HB THR 80 HB THR 80 7.005 -3.404 -20.557 585 HG1 THR 80 HG1 THR 80 4.497 -2.409 -20.147 586 1HG2 THR 80 1HG2 THR 80 7.245 -1.412 -21.971 587 2HG2 THR 80 2HG2 THR 80 5.750 -1.826 -22.812 588 3HG2 THR 80 3HG2 THR 80 7.159 -2.878 -22.948 Start of MODEL 12 1 H MET 1 H MET 1 7.202 2.208 -1.741 2 HA MET 1 HA MET 1 5.724 0.572 -0.888 3 1HB MET 1 1HB MET 1 6.519 0.293 -3.184 4 2HB MET 1 2HB MET 1 7.914 -0.609 -2.611 5 1HG MET 1 1HG MET 1 6.182 -2.051 -3.558 6 2HG MET 1 2HG MET 1 6.497 -2.407 -1.862 7 1HE MET 1 1HE MET 1 4.139 -3.840 -2.359 8 2HE MET 1 2HE MET 1 3.861 -3.043 -3.909 9 3HE MET 1 3HE MET 1 2.602 -3.034 -2.673 10 H HIS 2 H HIS 2 5.303 -0.899 0.622 11 HA HIS 2 HA HIS 2 7.435 -2.654 1.605 12 1HB HIS 2 1HB HIS 2 5.656 -0.909 3.308 13 2HB HIS 2 2HB HIS 2 6.359 -2.390 3.936 14 HD1 HIS 2 HD1 HIS 2 6.912 0.999 4.188 15 HD2 HIS 2 HD2 HIS 2 9.417 -2.182 3.235 16 HE1 HIS 2 HE1 HIS 2 9.243 1.788 4.706 17 HE2 HIS 2 HE2 HIS 2 10.723 -0.208 4.292 18 H ALA 3 H ALA 3 6.686 -4.633 1.085 19 HA ALA 3 HA ALA 3 3.844 -5.203 1.530 20 1HB ALA 3 1HB ALA 3 3.617 -6.201 -0.678 21 2HB ALA 3 2HB ALA 3 5.274 -5.738 -1.066 22 3HB ALA 3 3HB ALA 3 4.053 -4.495 -0.797 23 H LYS 4 H LYS 4 3.358 -7.530 1.194 24 HA LYS 4 HA LYS 4 5.596 -9.305 1.817 25 1HB LYS 4 1HB LYS 4 3.048 -9.052 3.431 26 2HB LYS 4 2HB LYS 4 4.217 -10.351 3.616 27 1HG LYS 4 1HG LYS 4 5.857 -8.883 4.468 28 2HG LYS 4 2HG LYS 4 4.938 -7.458 3.979 29 1HD LYS 4 1HD LYS 4 4.746 -7.838 6.382 30 2HD LYS 4 2HD LYS 4 3.184 -8.034 5.583 31 1HE LYS 4 1HE LYS 4 3.687 -10.517 5.526 32 2HE LYS 4 2HE LYS 4 5.028 -10.176 6.622 33 1HZ LYS 4 1HZ LYS 4 2.168 -9.560 7.141 34 2HZ LYS 4 2HZ LYS 4 3.456 -9.252 8.205 35 3HZ LYS 4 3HZ LYS 4 3.039 -10.851 7.817 36 H VAL 5 H VAL 5 4.684 -11.632 1.907 37 HA VAL 5 HA VAL 5 2.958 -12.020 -0.428 38 HB VAL 5 HB VAL 5 4.915 -13.420 -0.423 39 1HG1 VAL 5 1HG1 VAL 5 5.457 -14.978 1.405 40 2HG1 VAL 5 2HG1 VAL 5 4.133 -14.302 2.356 41 3HG1 VAL 5 3HG1 VAL 5 5.513 -13.293 1.921 42 1HG2 VAL 5 1HG2 VAL 5 2.913 -14.555 -1.192 43 2HG2 VAL 5 2HG2 VAL 5 2.550 -15.081 0.453 44 3HG2 VAL 5 3HG2 VAL 5 3.982 -15.694 -0.376 45 H GLY 6 H GLY 6 0.922 -12.923 -0.299 46 1HA GLY 6 1HA GLY 6 -0.985 -13.782 0.841 47 2HA GLY 6 2HA GLY 6 -0.172 -13.476 2.376 48 H ASP 7 H ASP 7 0.089 -11.117 0.015 49 HA ASP 7 HA ASP 7 -2.055 -9.323 1.143 50 1HB ASP 7 1HB ASP 7 0.944 -8.866 1.121 51 2HB ASP 7 2HB ASP 7 -0.174 -7.514 0.982 52 H TYR 8 H TYR 8 -1.640 -7.212 -0.218 53 HA TYR 8 HA TYR 8 -1.775 -8.139 -3.024 54 1HB TYR 8 1HB TYR 8 -3.876 -6.562 -1.507 55 2HB TYR 8 2HB TYR 8 -3.889 -6.802 -3.241 56 HD1 TYR 8 HD1 TYR 8 -4.731 -8.813 -4.193 57 HD2 TYR 8 HD2 TYR 8 -4.358 -8.456 0.028 58 HE1 TYR 8 HE1 TYR 8 -6.175 -10.792 -3.914 59 HE2 TYR 8 HE2 TYR 8 -5.796 -10.445 0.311 60 HH TYR 8 HH TYR 8 -6.385 -12.620 -1.913 61 H LEU 9 H LEU 9 -2.314 -6.133 -4.426 62 HA LEU 9 HA LEU 9 -0.456 -4.011 -3.621 63 1HB LEU 9 1HB LEU 9 0.679 -6.016 -4.722 64 2HB LEU 9 2HB LEU 9 -0.190 -5.593 -6.178 65 HG LEU 9 HG LEU 9 1.750 -3.712 -4.830 66 1HD1 LEU 9 1HD1 LEU 9 2.935 -5.740 -5.436 67 2HD1 LEU 9 2HD1 LEU 9 3.358 -4.439 -6.551 68 3HD1 LEU 9 3HD1 LEU 9 2.228 -5.698 -7.051 69 1HD2 LEU 9 1HD2 LEU 9 0.618 -3.813 -7.627 70 2HD2 LEU 9 2HD2 LEU 9 1.821 -2.664 -7.046 71 3HD2 LEU 9 3HD2 LEU 9 0.190 -2.646 -6.376 72 H VAL 10 H VAL 10 -0.804 -2.115 -4.558 73 HA VAL 10 HA VAL 10 -2.685 -1.848 -6.785 74 HB VAL 10 HB VAL 10 -2.897 -0.452 -4.110 75 1HG1 VAL 10 1HG1 VAL 10 -4.565 1.047 -5.079 76 2HG1 VAL 10 2HG1 VAL 10 -4.246 0.382 -6.680 77 3HG1 VAL 10 3HG1 VAL 10 -2.991 1.286 -5.833 78 1HG2 VAL 10 1HG2 VAL 10 -5.227 -1.149 -4.263 79 2HG2 VAL 10 2HG2 VAL 10 -4.131 -2.527 -4.376 80 3HG2 VAL 10 3HG2 VAL 10 -4.902 -1.891 -5.829 81 H VAL 11 H VAL 11 -2.345 0.051 -8.000 82 HA VAL 11 HA VAL 11 -0.043 1.697 -7.240 83 HB VAL 11 HB VAL 11 0.036 -0.283 -9.250 84 1HG1 VAL 11 1HG1 VAL 11 0.180 2.480 -10.451 85 2HG1 VAL 11 2HG1 VAL 11 -1.039 1.256 -10.807 86 3HG1 VAL 11 3HG1 VAL 11 0.646 0.979 -11.251 87 1HG2 VAL 11 1HG2 VAL 11 1.917 1.975 -8.614 88 2HG2 VAL 11 2HG2 VAL 11 2.326 0.518 -9.523 89 3HG2 VAL 11 3HG2 VAL 11 1.863 0.399 -7.825 90 H LYS 12 H LYS 12 -0.071 3.800 -8.163 91 HA LYS 12 HA LYS 12 -0.873 5.682 -9.145 92 1HB LYS 12 1HB LYS 12 -1.285 4.075 -11.085 93 2HB LYS 12 2HB LYS 12 -2.953 4.004 -10.539 94 1HG LYS 12 1HG LYS 12 -2.816 5.588 -12.311 95 2HG LYS 12 2HG LYS 12 -3.071 6.476 -10.806 96 1HD LYS 12 1HD LYS 12 -0.764 7.091 -10.693 97 2HD LYS 12 2HD LYS 12 -0.362 6.022 -12.039 98 1HE LYS 12 1HE LYS 12 -1.826 7.404 -13.494 99 2HE LYS 12 2HE LYS 12 -2.048 8.518 -12.143 100 1HZ LYS 12 1HZ LYS 12 0.612 7.819 -13.265 101 2HZ LYS 12 2HZ LYS 12 0.251 9.061 -12.171 102 3HZ LYS 12 3HZ LYS 12 -0.292 9.159 -13.776 103 H GLY 13 H GLY 13 -1.601 6.521 -7.186 104 1HA GLY 13 1HA GLY 13 -4.520 6.646 -6.992 105 2HA GLY 13 2HA GLY 13 -3.628 6.119 -5.572 106 H THR 14 H THR 14 -2.017 8.417 -7.519 107 HA THR 14 HA THR 14 -2.151 10.353 -5.394 108 HB THR 14 HB THR 14 -0.665 11.657 -7.093 109 HG1 THR 14 HG1 THR 14 0.398 9.733 -8.363 110 1HG2 THR 14 1HG2 THR 14 0.244 9.040 -5.886 111 2HG2 THR 14 2HG2 THR 14 0.191 10.599 -5.060 112 3HG2 THR 14 3HG2 THR 14 1.303 10.350 -6.408 113 H THR 15 H THR 15 -3.185 10.162 -8.770 114 HA THR 15 HA THR 15 -5.059 12.358 -8.212 115 HB THR 15 HB THR 15 -3.245 13.195 -9.657 116 HG1 THR 15 HG1 THR 15 -4.671 14.327 -10.743 117 1HG2 THR 15 1HG2 THR 15 -2.632 11.094 -10.755 118 2HG2 THR 15 2HG2 THR 15 -2.976 12.358 -11.938 119 3HG2 THR 15 3HG2 THR 15 -4.170 11.097 -11.621 120 H THR 16 H THR 16 -4.536 9.199 -9.327 121 HA THR 16 HA THR 16 -7.105 9.103 -10.719 122 HB THR 16 HB THR 16 -5.069 6.881 -10.547 123 HG1 THR 16 HG1 THR 16 -5.281 8.848 -12.618 124 1HG2 THR 16 1HG2 THR 16 -7.314 6.268 -11.328 125 2HG2 THR 16 2HG2 THR 16 -6.130 6.147 -12.631 126 3HG2 THR 16 3HG2 THR 16 -7.229 7.525 -12.563 127 H GLU 17 H GLU 17 -8.757 8.746 -9.338 128 HA GLU 17 HA GLU 17 -8.422 7.235 -6.924 129 1HB GLU 17 1HB GLU 17 -10.921 8.306 -8.238 130 2HB GLU 17 2HB GLU 17 -10.864 7.569 -6.643 131 1HG GLU 17 1HG GLU 17 -10.658 9.681 -5.944 132 2HG GLU 17 2HG GLU 17 -8.963 9.463 -6.375 133 H ARG 18 H ARG 18 -8.396 6.109 -9.900 134 HA ARG 18 HA ARG 18 -10.276 3.964 -9.769 135 1HB ARG 18 1HB ARG 18 -8.128 4.819 -11.580 136 2HB ARG 18 2HB ARG 18 -8.294 3.075 -11.456 137 1HG ARG 18 1HG ARG 18 -9.586 3.895 -13.309 138 2HG ARG 18 2HG ARG 18 -10.667 3.276 -12.063 139 1HD ARG 18 1HD ARG 18 -11.109 5.543 -11.299 140 2HD ARG 18 2HD ARG 18 -9.982 6.179 -12.499 141 HE ARG 18 HE ARG 18 -11.976 4.600 -13.752 142 1HH1 ARG 18 1HH1 ARG 18 -11.526 7.715 -12.207 143 2HH1 ARG 18 2HH1 ARG 18 -12.737 8.505 -13.171 144 1HH2 ARG 18 1HH2 ARG 18 -13.575 5.643 -15.016 145 2HH2 ARG 18 2HH2 ARG 18 -13.894 7.334 -14.755 146 H HIS 19 H HIS 19 -6.972 4.480 -8.766 147 HA HIS 19 HA HIS 19 -5.412 3.212 -7.723 148 1HB HIS 19 1HB HIS 19 -7.809 1.754 -6.580 149 2HB HIS 19 2HB HIS 19 -6.170 1.713 -5.942 150 HD1 HIS 19 HD1 HIS 19 -5.297 3.953 -4.797 151 HD2 HIS 19 HD2 HIS 19 -9.339 3.898 -5.786 152 HE1 HIS 19 HE1 HIS 19 -6.326 5.879 -3.552 153 HE2 HIS 19 HE2 HIS 19 -8.775 5.838 -4.164 154 H ASP 20 H ASP 20 -4.812 2.454 -9.808 155 HA ASP 20 HA ASP 20 -6.027 0.097 -10.905 156 1HB ASP 20 1HB ASP 20 -3.521 1.552 -11.785 157 2HB ASP 20 2HB ASP 20 -4.419 0.367 -12.726 158 H GLN 21 H GLN 21 -4.125 -1.459 -11.901 159 HA GLN 21 HA GLN 21 -2.829 -3.260 -11.387 160 1HB GLN 21 1HB GLN 21 -1.139 -1.439 -11.236 161 2HB GLN 21 2HB GLN 21 -1.471 -1.309 -9.514 162 1HG GLN 21 1HG GLN 21 0.452 -2.591 -9.604 163 2HG GLN 21 2HG GLN 21 -0.828 -3.785 -9.403 164 1HE2 GLN 21 1HE2 GLN 21 -0.113 -2.108 -12.398 165 2HE2 GLN 21 2HE2 GLN 21 0.450 -3.497 -13.259 166 H HIS 22 H HIS 22 -4.057 -4.798 -10.338 167 HA HIS 22 HA HIS 22 -4.200 -4.568 -7.421 168 1HB HIS 22 1HB HIS 22 -6.355 -3.977 -9.103 169 2HB HIS 22 2HB HIS 22 -6.689 -5.594 -8.494 170 HD1 HIS 22 HD1 HIS 22 -6.766 -2.044 -7.554 171 HD2 HIS 22 HD2 HIS 22 -6.903 -5.725 -5.624 172 HE1 HIS 22 HE1 HIS 22 -7.697 -1.575 -5.268 173 HE2 HIS 22 HE2 HIS 22 -8.021 -3.848 -4.234 174 H ALA 23 H ALA 23 -3.109 -6.284 -6.856 175 HA ALA 23 HA ALA 23 -3.790 -8.935 -7.953 176 1HB ALA 23 1HB ALA 23 -0.979 -7.872 -7.771 177 2HB ALA 23 2HB ALA 23 -1.903 -8.070 -9.260 178 3HB ALA 23 3HB ALA 23 -1.468 -9.482 -8.299 179 H GLU 24 H GLU 24 -2.367 -10.619 -6.750 180 HA GLU 24 HA GLU 24 -1.864 -9.770 -3.972 181 1HB GLU 24 1HB GLU 24 -3.997 -11.048 -3.954 182 2HB GLU 24 2HB GLU 24 -3.164 -12.404 -4.713 183 1HG GLU 24 1HG GLU 24 -1.553 -12.283 -2.723 184 2HG GLU 24 2HG GLU 24 -2.775 -11.276 -1.960 185 H ILE 25 H ILE 25 -0.098 -10.408 -3.204 186 HA ILE 25 HA ILE 25 1.795 -11.566 -5.054 187 HB ILE 25 HB ILE 25 2.510 -10.517 -2.337 188 1HG1 ILE 25 1HG1 ILE 25 1.902 -8.779 -4.742 189 2HG1 ILE 25 2HG1 ILE 25 0.892 -8.894 -3.304 190 1HG2 ILE 25 1HG2 ILE 25 4.487 -9.726 -3.548 191 2HG2 ILE 25 2HG2 ILE 25 3.808 -10.353 -5.051 192 3HG2 ILE 25 3HG2 ILE 25 4.248 -11.461 -3.749 193 1HD1 ILE 25 1HD1 ILE 25 2.251 -6.890 -3.257 194 2HD1 ILE 25 2HD1 ILE 25 3.718 -7.859 -3.409 195 3HD1 ILE 25 3HD1 ILE 25 2.722 -7.985 -1.959 196 H ILE 26 H ILE 26 1.911 -13.712 -5.011 197 HA ILE 26 HA ILE 26 2.113 -15.058 -2.408 198 HB ILE 26 HB ILE 26 1.888 -17.199 -3.623 199 1HG1 ILE 26 1HG1 ILE 26 2.689 -16.157 -5.867 200 2HG1 ILE 26 2HG1 ILE 26 1.407 -17.359 -5.931 201 1HG2 ILE 26 1HG2 ILE 26 -0.532 -16.966 -4.130 202 2HG2 ILE 26 2HG2 ILE 26 -0.358 -15.212 -4.104 203 3HG2 ILE 26 3HG2 ILE 26 -0.086 -16.145 -2.632 204 1HD1 ILE 26 1HD1 ILE 26 0.963 -15.520 -7.441 205 2HD1 ILE 26 2HD1 ILE 26 1.046 -14.377 -6.100 206 3HD1 ILE 26 3HD1 ILE 26 -0.245 -15.576 -6.158 207 H GLU 27 H GLU 27 3.881 -13.869 -5.004 208 HA GLU 27 HA GLU 27 6.302 -14.994 -3.822 209 1HB GLU 27 1HB GLU 27 5.723 -14.880 -6.789 210 2HB GLU 27 2HB GLU 27 7.321 -15.156 -6.111 211 1HG GLU 27 1HG GLU 27 6.288 -17.143 -4.907 212 2HG GLU 27 2HG GLU 27 4.909 -16.926 -5.984 213 H VAL 28 H VAL 28 8.065 -13.586 -3.875 214 HA VAL 28 HA VAL 28 7.318 -10.798 -4.427 215 HB VAL 28 HB VAL 28 8.396 -11.704 -1.753 216 1HG1 VAL 28 1HG1 VAL 28 7.284 -9.054 -2.673 217 2HG1 VAL 28 2HG1 VAL 28 8.982 -9.423 -2.373 218 3HG1 VAL 28 3HG1 VAL 28 7.828 -9.430 -1.037 219 1HG2 VAL 28 1HG2 VAL 28 6.126 -12.558 -2.033 220 2HG2 VAL 28 2HG2 VAL 28 5.563 -10.937 -2.443 221 3HG2 VAL 28 3HG2 VAL 28 6.180 -11.274 -0.826 222 H ARG 29 H ARG 29 9.001 -10.294 -5.771 223 HA ARG 29 HA ARG 29 11.603 -11.530 -5.396 224 1HB ARG 29 1HB ARG 29 10.091 -10.672 -7.616 225 2HB ARG 29 2HB ARG 29 11.512 -9.641 -7.565 226 1HG ARG 29 1HG ARG 29 11.599 -12.651 -7.524 227 2HG ARG 29 2HG ARG 29 11.763 -11.667 -8.977 228 1HD ARG 29 1HD ARG 29 13.959 -12.173 -8.333 229 2HD ARG 29 2HD ARG 29 13.696 -10.518 -7.792 230 HE ARG 29 HE ARG 29 13.317 -12.722 -5.888 231 1HH1 ARG 29 1HH1 ARG 29 15.138 -9.938 -6.973 232 2HH1 ARG 29 2HH1 ARG 29 16.018 -9.762 -5.489 233 1HH2 ARG 29 1HH2 ARG 29 14.506 -12.527 -3.929 234 2HH2 ARG 29 2HH2 ARG 29 15.704 -11.269 -3.781 235 H SER 30 H SER 30 10.819 -9.606 -3.428 236 HA SER 30 HA SER 30 13.174 -7.971 -3.510 237 1HB SER 30 1HB SER 30 11.476 -6.610 -4.782 238 2HB SER 30 2HB SER 30 10.496 -6.571 -3.318 239 HG SER 30 HG SER 30 13.144 -5.559 -3.615 240 H ALA 31 H ALA 31 13.719 -7.149 -1.469 241 HA ALA 31 HA ALA 31 12.347 -8.462 0.744 242 1HB ALA 31 1HB ALA 31 14.792 -8.634 0.607 243 2HB ALA 31 2HB ALA 31 14.278 -7.815 2.081 244 3HB ALA 31 3HB ALA 31 14.920 -6.878 0.730 245 H ASP 32 H ASP 32 12.390 -5.474 -0.817 246 HA ASP 32 HA ASP 32 11.271 -4.131 1.553 247 1HB ASP 32 1HB ASP 32 13.396 -3.112 0.898 248 2HB ASP 32 2HB ASP 32 12.804 -2.899 -0.746 249 H GLY 33 H GLY 33 11.295 -3.680 -1.987 250 1HA GLY 33 1HA GLY 33 8.671 -4.179 -2.552 251 2HA GLY 33 2HA GLY 33 8.669 -2.537 -1.925 252 H SER 34 H SER 34 10.899 -4.323 -4.032 253 HA SER 34 HA SER 34 10.504 -2.229 -6.063 254 1HB SER 34 1HB SER 34 12.999 -3.861 -5.526 255 2HB SER 34 2HB SER 34 12.822 -2.625 -6.771 256 HG SER 34 HG SER 34 13.845 -1.946 -4.752 257 HA PRO 35 HA PRO 35 9.127 -5.413 -8.836 258 1HB PRO 35 1HB PRO 35 10.573 -3.963 -10.970 259 2HB PRO 35 2HB PRO 35 8.853 -4.339 -10.835 260 1HG PRO 35 1HG PRO 35 9.759 -1.847 -10.483 261 2HG PRO 35 2HG PRO 35 8.415 -2.487 -9.519 262 1HD PRO 35 1HD PRO 35 11.292 -2.139 -8.768 263 2HD PRO 35 2HD PRO 35 9.831 -1.835 -7.806 264 HA PRO 36 HA PRO 36 8.943 -6.566 -10.675 265 1HB PRO 36 1HB PRO 36 9.011 -9.079 -11.522 266 2HB PRO 36 2HB PRO 36 9.895 -7.812 -12.381 267 1HG PRO 36 1HG PRO 36 10.915 -9.907 -10.520 268 2HG PRO 36 2HG PRO 36 11.659 -9.248 -11.987 269 1HD PRO 36 1HD PRO 36 12.241 -8.489 -9.349 270 2HD PRO 36 2HD PRO 36 12.700 -7.605 -10.817 271 H TYR 37 H TYR 37 7.283 -8.440 -10.453 272 HA TYR 37 HA TYR 37 7.450 -9.783 -7.834 273 1HB TYR 37 1HB TYR 37 5.110 -8.167 -8.866 274 2HB TYR 37 2HB TYR 37 5.018 -9.265 -7.498 275 HD1 TYR 37 HD1 TYR 37 6.124 -8.706 -5.381 276 HD2 TYR 37 HD2 TYR 37 6.145 -6.005 -8.668 277 HE1 TYR 37 HE1 TYR 37 6.780 -6.882 -3.870 278 HE2 TYR 37 HE2 TYR 37 6.810 -4.173 -7.167 279 HH TYR 37 HH TYR 37 6.757 -3.586 -4.857 280 H VAL 38 H VAL 38 5.745 -11.515 -7.670 281 HA VAL 38 HA VAL 38 4.760 -12.397 -10.286 282 HB VAL 38 HB VAL 38 6.193 -14.239 -8.349 283 1HG1 VAL 38 1HG1 VAL 38 4.671 -14.865 -10.889 284 2HG1 VAL 38 2HG1 VAL 38 4.172 -15.283 -9.250 285 3HG1 VAL 38 3HG1 VAL 38 5.611 -16.024 -9.949 286 1HG2 VAL 38 1HG2 VAL 38 7.660 -14.697 -10.274 287 2HG2 VAL 38 2HG2 VAL 38 7.718 -13.001 -9.791 288 3HG2 VAL 38 3HG2 VAL 38 6.789 -13.482 -11.212 289 H VAL 39 H VAL 39 2.734 -12.919 -10.172 290 HA VAL 39 HA VAL 39 1.514 -12.673 -7.534 291 HB VAL 39 HB VAL 39 2.188 -10.526 -9.162 292 1HG1 VAL 39 1HG1 VAL 39 -0.763 -11.007 -9.437 293 2HG1 VAL 39 2HG1 VAL 39 0.435 -10.983 -10.733 294 3HG1 VAL 39 3HG1 VAL 39 0.072 -9.506 -9.841 295 1HG2 VAL 39 1HG2 VAL 39 0.900 -9.182 -7.574 296 2HG2 VAL 39 2HG2 VAL 39 1.898 -10.407 -6.791 297 3HG2 VAL 39 3HG2 VAL 39 0.161 -10.658 -6.955 298 H ARG 40 H ARG 40 -0.937 -12.657 -7.831 299 HA ARG 40 HA ARG 40 -1.769 -13.929 -10.319 300 1HB ARG 40 1HB ARG 40 -1.625 -15.873 -9.031 301 2HB ARG 40 2HB ARG 40 -2.101 -15.049 -7.552 302 1HG ARG 40 1HG ARG 40 -4.378 -14.972 -8.228 303 2HG ARG 40 2HG ARG 40 -3.975 -15.506 -9.857 304 1HD ARG 40 1HD ARG 40 -3.649 -17.695 -9.199 305 2HD ARG 40 2HD ARG 40 -3.314 -17.247 -7.522 306 HE ARG 40 HE ARG 40 -5.621 -17.022 -7.136 307 1HH1 ARG 40 1HH1 ARG 40 -4.970 -18.135 -10.410 308 2HH1 ARG 40 2HH1 ARG 40 -6.602 -18.678 -10.659 309 1HH2 ARG 40 1HH2 ARG 40 -7.752 -17.726 -7.505 310 2HH2 ARG 40 2HH2 ARG 40 -8.165 -18.449 -9.035 311 H TRP 41 H TRP 41 -3.556 -13.052 -11.103 312 HA TRP 41 HA TRP 41 -5.115 -11.187 -9.559 313 1HB TRP 41 1HB TRP 41 -6.125 -12.423 -12.097 314 2HB TRP 41 2HB TRP 41 -6.327 -10.781 -11.512 315 HD1 TRP 41 HD1 TRP 41 -4.652 -12.600 -14.131 316 HE1 TRP 41 HE1 TRP 41 -2.736 -11.243 -15.179 317 HE3 TRP 41 HE3 TRP 41 -4.125 -9.031 -10.507 318 HZ2 TRP 41 HZ2 TRP 41 -1.198 -8.970 -14.542 319 HZ3 TRP 41 HZ3 TRP 41 -2.397 -7.305 -10.805 320 HH2 TRP 41 HH2 TRP 41 -0.967 -7.276 -12.780 321 H LEU 42 H LEU 42 -5.936 -12.321 -7.825 322 HA LEU 42 HA LEU 42 -6.514 -15.076 -7.901 323 1HB LEU 42 1HB LEU 42 -7.845 -13.255 -5.947 324 2HB LEU 42 2HB LEU 42 -7.259 -14.887 -5.711 325 HG LEU 42 HG LEU 42 -5.610 -12.378 -5.897 326 1HD1 LEU 42 1HD1 LEU 42 -6.797 -12.705 -3.820 327 2HD1 LEU 42 2HD1 LEU 42 -5.065 -12.948 -3.595 328 3HD1 LEU 42 3HD1 LEU 42 -6.149 -14.338 -3.686 329 1HD2 LEU 42 1HD2 LEU 42 -4.694 -15.232 -5.565 330 2HD2 LEU 42 2HD2 LEU 42 -3.681 -13.795 -5.429 331 3HD2 LEU 42 3HD2 LEU 42 -4.416 -14.212 -6.977 332 H VAL 43 H VAL 43 -8.862 -12.519 -7.229 333 HA VAL 43 HA VAL 43 -11.072 -14.161 -7.618 334 HB VAL 43 HB VAL 43 -12.287 -11.887 -7.765 335 1HG1 VAL 43 1HG1 VAL 43 -12.105 -11.634 -5.348 336 2HG1 VAL 43 2HG1 VAL 43 -10.650 -12.629 -5.357 337 3HG1 VAL 43 3HG1 VAL 43 -12.205 -13.337 -5.799 338 1HG2 VAL 43 1HG2 VAL 43 -9.568 -10.995 -6.828 339 2HG2 VAL 43 2HG2 VAL 43 -11.037 -10.018 -6.820 340 3HG2 VAL 43 3HG2 VAL 43 -10.329 -10.534 -8.352 341 H ASN 44 H ASN 44 -9.288 -12.099 -9.773 342 HA ASN 44 HA ASN 44 -10.974 -12.288 -11.987 343 1HB ASN 44 1HB ASN 44 -7.976 -12.021 -11.814 344 2HB ASN 44 2HB ASN 44 -8.858 -11.956 -13.337 345 1HD2 ASN 44 1HD2 ASN 44 -8.312 -10.371 -10.268 346 2HD2 ASN 44 2HD2 ASN 44 -8.973 -8.844 -10.738 347 H GLY 45 H GLY 45 -7.995 -14.216 -11.468 348 1HA GLY 45 1HA GLY 45 -8.430 -16.684 -11.356 349 2HA GLY 45 2HA GLY 45 -9.385 -16.462 -12.807 350 H HIS 46 H HIS 46 -6.230 -14.896 -12.284 351 HA HIS 46 HA HIS 46 -4.957 -16.923 -13.984 352 1HB HIS 46 1HB HIS 46 -5.389 -14.110 -14.747 353 2HB HIS 46 2HB HIS 46 -3.765 -14.732 -15.023 354 HD1 HIS 46 HD1 HIS 46 -5.670 -13.964 -17.353 355 HD2 HIS 46 HD2 HIS 46 -5.167 -17.817 -15.852 356 HE1 HIS 46 HE1 HIS 46 -6.332 -15.520 -19.220 357 HE2 HIS 46 HE2 HIS 46 -5.861 -17.835 -18.349 358 H GLU 47 H GLU 47 -2.518 -16.377 -14.232 359 HA GLU 47 HA GLU 47 -1.397 -15.336 -11.711 360 1HB GLU 47 1HB GLU 47 -0.502 -17.951 -12.949 361 2HB GLU 47 2HB GLU 47 0.085 -17.236 -11.459 362 1HG GLU 47 1HG GLU 47 -1.286 -18.950 -10.750 363 2HG GLU 47 2HG GLU 47 -2.313 -17.525 -10.611 364 H THR 48 H THR 48 0.429 -14.165 -12.032 365 HA THR 48 HA THR 48 1.624 -14.179 -14.697 366 HB THR 48 HB THR 48 -0.282 -12.614 -14.685 367 HG1 THR 48 HG1 THR 48 0.804 -11.187 -15.919 368 1HG2 THR 48 1HG2 THR 48 1.410 -11.054 -12.752 369 2HG2 THR 48 2HG2 THR 48 -0.130 -11.829 -12.388 370 3HG2 THR 48 3HG2 THR 48 -0.070 -10.477 -13.519 371 H THR 49 H THR 49 3.213 -12.278 -14.805 372 HA THR 49 HA THR 49 4.717 -11.833 -12.328 373 HB THR 49 HB THR 49 5.999 -12.651 -14.959 374 HG1 THR 49 HG1 THR 49 5.255 -14.079 -12.685 375 1HG2 THR 49 1HG2 THR 49 7.227 -12.090 -12.259 376 2HG2 THR 49 2HG2 THR 49 7.345 -11.056 -13.684 377 3HG2 THR 49 3HG2 THR 49 8.092 -12.653 -13.687 378 H VAL 50 H VAL 50 4.827 -9.639 -12.155 379 HA VAL 50 HA VAL 50 4.541 -8.058 -14.613 380 HB VAL 50 HB VAL 50 2.658 -6.771 -13.481 381 1HG1 VAL 50 1HG1 VAL 50 0.952 -8.354 -14.308 382 2HG1 VAL 50 2HG1 VAL 50 2.201 -9.592 -14.443 383 3HG1 VAL 50 3HG1 VAL 50 2.287 -8.137 -15.438 384 1HG2 VAL 50 1HG2 VAL 50 2.481 -9.325 -11.881 385 2HG2 VAL 50 2HG2 VAL 50 1.288 -8.025 -11.891 386 3HG2 VAL 50 3HG2 VAL 50 2.903 -7.735 -11.245 387 H TYR 51 H TYR 51 4.118 -5.684 -13.918 388 HA TYR 51 HA TYR 51 5.853 -4.854 -11.710 389 1HB TYR 51 1HB TYR 51 5.999 -3.526 -14.422 390 2HB TYR 51 2HB TYR 51 7.102 -3.348 -13.067 391 HD1 TYR 51 HD1 TYR 51 6.165 -5.408 -15.938 392 HD2 TYR 51 HD2 TYR 51 8.849 -5.011 -12.662 393 HE1 TYR 51 HE1 TYR 51 7.643 -7.087 -16.958 394 HE2 TYR 51 HE2 TYR 51 10.335 -6.693 -13.672 395 HH TYR 51 HH TYR 51 10.217 -8.546 -15.270 396 HA PRO 52 HA PRO 52 2.083 -2.486 -11.141 397 1HB PRO 52 1HB PRO 52 3.728 -0.964 -9.206 398 2HB PRO 52 2HB PRO 52 2.244 -1.883 -8.945 399 1HG PRO 52 1HG PRO 52 4.605 -2.772 -8.059 400 2HG PRO 52 2HG PRO 52 3.372 -3.884 -8.682 401 1HD PRO 52 1HD PRO 52 5.843 -2.848 -10.016 402 2HD PRO 52 2HD PRO 52 5.147 -4.483 -10.046 403 H GLY 53 H GLY 53 5.107 -0.529 -10.898 404 1HA GLY 53 1HA GLY 53 5.649 0.899 -12.818 405 2HA GLY 53 2HA GLY 53 3.932 1.230 -12.964 406 H SER 54 H SER 54 3.264 1.802 -10.348 407 HA SER 54 HA SER 54 4.517 4.409 -10.067 408 1HB SER 54 1HB SER 54 2.066 3.316 -8.706 409 2HB SER 54 2HB SER 54 2.621 4.990 -8.669 410 HG SER 54 HG SER 54 2.222 3.796 -11.162 411 H ASP 55 H ASP 55 4.171 5.074 -7.513 412 HA ASP 55 HA ASP 55 6.430 4.052 -6.243 413 1HB ASP 55 1HB ASP 55 5.310 6.236 -5.748 414 2HB ASP 55 2HB ASP 55 4.049 5.350 -4.900 415 H ALA 56 H ALA 56 3.340 2.719 -6.584 416 HA ALA 56 HA ALA 56 2.515 0.678 -6.024 417 1HB ALA 56 1HB ALA 56 3.991 -1.080 -5.245 418 2HB ALA 56 2HB ALA 56 5.235 0.107 -4.852 419 3HB ALA 56 3HB ALA 56 4.755 -0.147 -6.529 420 H VAL 57 H VAL 57 1.071 0.104 -4.492 421 HA VAL 57 HA VAL 57 1.740 0.577 -1.663 422 HB VAL 57 HB VAL 57 -0.560 1.350 -1.195 423 1HG1 VAL 57 1HG1 VAL 57 1.221 2.985 -1.435 424 2HG1 VAL 57 2HG1 VAL 57 -0.300 3.626 -2.054 425 3HG1 VAL 57 3HG1 VAL 57 0.938 3.059 -3.174 426 1HG2 VAL 57 1HG2 VAL 57 -1.697 0.399 -3.128 427 2HG2 VAL 57 2HG2 VAL 57 -0.833 1.507 -4.194 428 3HG2 VAL 57 3HG2 VAL 57 -1.986 2.135 -3.017 429 H VAL 58 H VAL 58 -0.017 -0.489 -0.224 430 HA VAL 58 HA VAL 58 -0.409 -3.211 -1.310 431 HB VAL 58 HB VAL 58 0.295 -2.442 1.526 432 1HG1 VAL 58 1HG1 VAL 58 0.604 -4.843 1.887 433 2HG1 VAL 58 2HG1 VAL 58 0.044 -5.163 0.246 434 3HG1 VAL 58 3HG1 VAL 58 -1.059 -4.467 1.434 435 1HG2 VAL 58 1HG2 VAL 58 2.149 -2.088 -0.005 436 2HG2 VAL 58 2HG2 VAL 58 1.965 -3.728 -0.624 437 3HG2 VAL 58 3HG2 VAL 58 2.461 -3.469 1.048 438 H VAL 59 H VAL 59 -2.353 -4.176 -1.059 439 HA VAL 59 HA VAL 59 -4.318 -2.983 0.745 440 HB VAL 59 HB VAL 59 -5.902 -4.103 -0.992 441 1HG1 VAL 59 1HG1 VAL 59 -4.527 -1.482 -1.530 442 2HG1 VAL 59 2HG1 VAL 59 -5.891 -1.724 -0.438 443 3HG1 VAL 59 3HG1 VAL 59 -6.098 -1.961 -2.173 444 1HG2 VAL 59 1HG2 VAL 59 -5.095 -3.892 -3.293 445 2HG2 VAL 59 2HG2 VAL 59 -4.206 -5.107 -2.373 446 3HG2 VAL 59 3HG2 VAL 59 -3.487 -3.523 -2.668 447 H THR 60 H THR 60 -6.162 -4.660 1.073 448 HA THR 60 HA THR 60 -4.899 -7.275 1.748 449 HB THR 60 HB THR 60 -5.370 -5.725 3.690 450 HG1 THR 60 HG1 THR 60 -5.306 -8.046 3.931 451 1HG2 THR 60 1HG2 THR 60 -7.431 -4.702 2.900 452 2HG2 THR 60 2HG2 THR 60 -7.679 -5.477 4.465 453 3HG2 THR 60 3HG2 THR 60 -8.249 -6.260 2.991 454 H ALA 61 H ALA 61 -7.229 -8.452 2.764 455 HA ALA 61 HA ALA 61 -8.067 -9.784 0.470 456 1HB ALA 61 1HB ALA 61 -7.993 -10.771 2.703 457 2HB ALA 61 2HB ALA 61 -9.551 -11.021 1.913 458 3HB ALA 61 3HB ALA 61 -9.388 -9.797 3.171 459 H THR 62 H THR 62 -9.882 -7.298 2.334 460 HA THR 62 HA THR 62 -12.195 -7.730 0.663 461 HB THR 62 HB THR 62 -12.922 -5.567 1.886 462 HG1 THR 62 HG1 THR 62 -11.760 -5.705 4.072 463 1HG2 THR 62 1HG2 THR 62 -13.891 -7.776 2.273 464 2HG2 THR 62 2HG2 THR 62 -13.690 -6.912 3.798 465 3HG2 THR 62 3HG2 THR 62 -12.553 -8.183 3.347 466 H GLU 63 H GLU 63 -9.594 -5.408 0.990 467 HA GLU 63 HA GLU 63 -10.526 -3.559 -0.944 468 1HB GLU 63 1HB GLU 63 -7.666 -4.216 -0.204 469 2HB GLU 63 2HB GLU 63 -8.237 -2.738 -0.969 470 1HG GLU 63 1HG GLU 63 -9.563 -2.245 1.053 471 2HG GLU 63 2HG GLU 63 -8.886 -3.681 1.817 472 H HIS 64 H HIS 64 -9.424 -6.705 -1.118 473 HA HIS 64 HA HIS 64 -8.146 -6.624 -3.659 474 1HB HIS 64 1HB HIS 64 -7.252 -8.446 -2.789 475 2HB HIS 64 2HB HIS 64 -8.413 -8.427 -1.478 476 HD1 HIS 64 HD1 HIS 64 -10.041 -10.305 -1.386 477 HD2 HIS 64 HD2 HIS 64 -8.057 -10.119 -5.029 478 HE1 HIS 64 HE1 HIS 64 -10.568 -12.466 -2.548 479 HE2 HIS 64 HE2 HIS 64 -9.157 -12.423 -4.632 480 H ALA 65 H ALA 65 -11.383 -7.900 -2.640 481 HA ALA 65 HA ALA 65 -11.667 -9.555 -4.840 482 1HB ALA 65 1HB ALA 65 -14.025 -9.641 -4.297 483 2HB ALA 65 2HB ALA 65 -13.871 -8.186 -3.316 484 3HB ALA 65 3HB ALA 65 -13.051 -9.669 -2.828 485 H GLU 66 H GLU 66 -13.328 -6.463 -4.440 486 HA GLU 66 HA GLU 66 -14.462 -6.615 -7.054 487 1HB GLU 66 1HB GLU 66 -14.951 -4.057 -6.192 488 2HB GLU 66 2HB GLU 66 -15.946 -5.458 -5.829 489 1HG GLU 66 1HG GLU 66 -15.642 -4.526 -3.727 490 2HG GLU 66 2HG GLU 66 -14.372 -5.745 -3.772 491 H ALA 67 H ALA 67 -12.135 -4.401 -5.574 492 HA ALA 67 HA ALA 67 -11.676 -2.941 -7.960 493 1HB ALA 67 1HB ALA 67 -11.346 -1.990 -5.735 494 2HB ALA 67 2HB ALA 67 -9.888 -1.864 -6.720 495 3HB ALA 67 3HB ALA 67 -10.001 -3.097 -5.463 496 H GLU 68 H GLU 68 -10.431 -5.957 -6.802 497 HA GLU 68 HA GLU 68 -8.035 -5.889 -8.369 498 1HB GLU 68 1HB GLU 68 -8.399 -7.510 -6.452 499 2HB GLU 68 2HB GLU 68 -9.487 -8.396 -7.514 500 1HG GLU 68 1HG GLU 68 -7.465 -8.384 -9.146 501 2HG GLU 68 2HG GLU 68 -6.531 -8.057 -7.692 502 H LYS 69 H LYS 69 -11.296 -7.270 -8.808 503 HA LYS 69 HA LYS 69 -10.913 -8.345 -11.328 504 1HB LYS 69 1HB LYS 69 -13.321 -6.823 -10.309 505 2HB LYS 69 2HB LYS 69 -13.312 -7.816 -11.761 506 1HG LYS 69 1HG LYS 69 -12.758 -9.784 -10.406 507 2HG LYS 69 2HG LYS 69 -12.791 -8.783 -8.954 508 1HD LYS 69 1HD LYS 69 -15.149 -8.276 -9.360 509 2HD LYS 69 2HD LYS 69 -15.115 -9.271 -10.818 510 1HE LYS 69 1HE LYS 69 -14.596 -10.241 -8.008 511 2HE LYS 69 2HE LYS 69 -16.093 -10.466 -8.908 512 1HZ LYS 69 1HZ LYS 69 -14.938 -11.815 -10.504 513 2HZ LYS 69 2HZ LYS 69 -14.633 -12.427 -8.950 514 3HZ LYS 69 3HZ LYS 69 -13.452 -11.518 -9.751 515 H ARG 70 H ARG 70 -11.934 -4.976 -10.620 516 HA ARG 70 HA ARG 70 -11.719 -4.138 -13.334 517 1HB ARG 70 1HB ARG 70 -11.630 -2.514 -10.790 518 2HB ARG 70 2HB ARG 70 -11.739 -1.819 -12.399 519 1HG ARG 70 1HG ARG 70 -13.873 -3.020 -12.732 520 2HG ARG 70 2HG ARG 70 -13.770 -3.599 -11.068 521 1HD ARG 70 1HD ARG 70 -13.743 -1.270 -10.279 522 2HD ARG 70 2HD ARG 70 -13.896 -0.715 -11.944 523 HE ARG 70 HE ARG 70 -16.004 -2.492 -11.365 524 1HH1 ARG 70 1HH1 ARG 70 -14.921 0.768 -10.639 525 2HH1 ARG 70 2HH1 ARG 70 -16.520 1.347 -10.273 526 1HH2 ARG 70 1HH2 ARG 70 -18.093 -1.731 -10.881 527 2HH2 ARG 70 2HH2 ARG 70 -18.321 -0.083 -10.386 528 H ALA 71 H ALA 71 -9.505 -3.467 -10.612 529 HA ALA 71 HA ALA 71 -7.750 -1.980 -12.291 530 1HB ALA 71 1HB ALA 71 -8.114 -1.414 -9.944 531 2HB ALA 71 2HB ALA 71 -6.406 -1.641 -10.325 532 3HB ALA 71 3HB ALA 71 -7.297 -2.901 -9.469 533 H ALA 72 H ALA 72 -7.900 -5.346 -11.508 534 HA ALA 72 HA ALA 72 -5.128 -5.837 -12.163 535 1HB ALA 72 1HB ALA 72 -7.415 -7.798 -12.039 536 2HB ALA 72 2HB ALA 72 -6.320 -7.409 -10.713 537 3HB ALA 72 3HB ALA 72 -5.703 -8.201 -12.164 538 H ALA 73 H ALA 73 -8.288 -6.104 -13.809 539 HA ALA 73 HA ALA 73 -7.404 -6.945 -16.301 540 1HB ALA 73 1HB ALA 73 -9.474 -4.825 -15.721 541 2HB ALA 73 2HB ALA 73 -9.760 -6.566 -15.783 542 3HB ALA 73 3HB ALA 73 -9.290 -5.695 -17.244 543 H ARG 74 H ARG 74 -7.193 -3.763 -14.808 544 HA ARG 74 HA ARG 74 -5.927 -2.557 -17.106 545 1HB ARG 74 1HB ARG 74 -6.436 -1.644 -14.293 546 2HB ARG 74 2HB ARG 74 -5.442 -0.697 -15.388 547 1HG ARG 74 1HG ARG 74 -7.280 -0.457 -16.929 548 2HG ARG 74 2HG ARG 74 -8.282 -1.529 -15.947 549 1HD ARG 74 1HD ARG 74 -8.477 0.036 -14.228 550 2HD ARG 74 2HD ARG 74 -7.091 0.965 -14.792 551 HE ARG 74 HE ARG 74 -9.549 0.868 -16.400 552 1HH1 ARG 74 1HH1 ARG 74 -7.229 2.655 -14.467 553 2HH1 ARG 74 2HH1 ARG 74 -7.787 4.214 -15.026 554 1HH2 ARG 74 1HH2 ARG 74 -10.300 2.909 -17.094 555 2HH2 ARG 74 2HH2 ARG 74 -9.542 4.356 -16.495 556 H ALA 75 H ALA 75 -4.762 -3.789 -13.996 557 HA ALA 75 HA ALA 75 -2.147 -2.957 -13.836 558 1HB ALA 75 1HB ALA 75 -3.321 -4.340 -12.172 559 2HB ALA 75 2HB ALA 75 -1.709 -4.947 -12.549 560 3HB ALA 75 3HB ALA 75 -3.131 -5.743 -13.224 561 H GLY 76 H GLY 76 -3.274 -5.877 -15.551 562 1HA GLY 76 1HA GLY 76 -0.591 -6.011 -16.785 563 2HA GLY 76 2HA GLY 76 -1.641 -7.398 -16.553 564 H HIS 77 H HIS 77 -2.829 -4.321 -17.677 565 HA HIS 77 HA HIS 77 -3.750 -5.506 -20.143 566 1HB HIS 77 1HB HIS 77 -5.051 -3.786 -18.817 567 2HB HIS 77 2HB HIS 77 -3.865 -2.593 -19.329 568 HD1 HIS 77 HD1 HIS 77 -7.114 -3.275 -20.075 569 HD2 HIS 77 HD2 HIS 77 -3.732 -3.084 -22.496 570 HE1 HIS 77 HE1 HIS 77 -7.963 -2.837 -22.403 571 HE2 HIS 77 HE2 HIS 77 -5.892 -2.543 -23.813 572 H ALA 78 H ALA 78 -1.648 -2.745 -19.321 573 HA ALA 78 HA ALA 78 -0.197 -3.234 -21.834 574 1HB ALA 78 1HB ALA 78 0.152 -0.831 -22.064 575 2HB ALA 78 2HB ALA 78 -0.798 -0.545 -20.606 576 3HB ALA 78 3HB ALA 78 -1.569 -1.220 -22.041 577 H ALA 79 H ALA 79 1.411 -4.412 -20.852 578 HA ALA 79 HA ALA 79 3.141 -2.894 -19.009 579 1HB ALA 79 1HB ALA 79 3.811 -5.002 -17.988 580 2HB ALA 79 2HB ALA 79 2.746 -5.885 -19.081 581 3HB ALA 79 3HB ALA 79 2.063 -4.790 -17.880 582 H THR 80 H THR 80 5.311 -2.888 -19.445 583 HA THR 80 HA THR 80 7.205 -2.929 -20.682 584 HB THR 80 HB THR 80 6.215 -5.566 -21.786 585 HG1 THR 80 HG1 THR 80 6.611 -6.420 -19.880 586 1HG2 THR 80 1HG2 THR 80 8.606 -6.093 -21.926 587 2HG2 THR 80 2HG2 THR 80 8.998 -4.489 -21.301 588 3HG2 THR 80 3HG2 THR 80 8.217 -4.657 -22.874 Start of MODEL 13 1 H MET 1 H MET 1 7.517 2.444 2.793 2 HA MET 1 HA MET 1 5.943 1.544 1.220 3 1HB MET 1 1HB MET 1 6.695 2.895 -0.709 4 2HB MET 1 2HB MET 1 8.183 1.967 -0.775 5 1HG MET 1 1HG MET 1 5.509 0.648 -1.048 6 2HG MET 1 2HG MET 1 6.312 1.399 -2.424 7 1HE MET 1 1HE MET 1 5.396 -1.711 -2.204 8 2HE MET 1 2HE MET 1 6.773 -2.479 -2.997 9 3HE MET 1 3HE MET 1 6.099 -0.982 -3.647 10 H HIS 2 H HIS 2 5.855 -0.526 1.730 11 HA HIS 2 HA HIS 2 8.175 -2.240 1.294 12 1HB HIS 2 1HB HIS 2 6.697 -2.095 3.936 13 2HB HIS 2 2HB HIS 2 7.761 -3.417 3.481 14 HD1 HIS 2 HD1 HIS 2 10.246 -2.013 2.492 15 HD2 HIS 2 HD2 HIS 2 8.045 -0.668 5.759 16 HE1 HIS 2 HE1 HIS 2 11.844 -0.673 3.883 17 HE2 HIS 2 HE2 HIS 2 10.553 -0.051 5.951 18 H ALA 3 H ALA 3 7.577 -4.129 0.390 19 HA ALA 3 HA ALA 3 4.701 -4.648 0.119 20 1HB ALA 3 1HB ALA 3 5.323 -6.090 -1.750 21 2HB ALA 3 2HB ALA 3 7.031 -5.808 -1.411 22 3HB ALA 3 3HB ALA 3 6.006 -4.476 -1.945 23 H LYS 4 H LYS 4 3.899 -6.840 0.333 24 HA LYS 4 HA LYS 4 5.521 -8.566 2.065 25 1HB LYS 4 1HB LYS 4 2.688 -7.668 2.617 26 2HB LYS 4 2HB LYS 4 3.499 -8.966 3.479 27 1HG LYS 4 1HG LYS 4 5.171 -7.382 4.296 28 2HG LYS 4 2HG LYS 4 4.351 -6.078 3.433 29 1HD LYS 4 1HD LYS 4 3.729 -6.107 5.798 30 2HD LYS 4 2HD LYS 4 2.339 -6.453 4.767 31 1HE LYS 4 1HE LYS 4 2.645 -8.855 5.191 32 2HE LYS 4 2HE LYS 4 4.009 -8.488 6.246 33 1HZ LYS 4 1HZ LYS 4 1.190 -7.647 6.675 34 2HZ LYS 4 2HZ LYS 4 2.497 -7.236 7.676 35 3HZ LYS 4 3HZ LYS 4 2.019 -8.859 7.532 36 H VAL 5 H VAL 5 4.626 -10.746 2.284 37 HA VAL 5 HA VAL 5 3.299 -11.620 -0.191 38 HB VAL 5 HB VAL 5 4.956 -13.095 1.873 39 1HG1 VAL 5 1HG1 VAL 5 3.433 -14.306 -0.435 40 2HG1 VAL 5 2HG1 VAL 5 3.071 -14.534 1.277 41 3HG1 VAL 5 3HG1 VAL 5 4.579 -15.156 0.603 42 1HG2 VAL 5 1HG2 VAL 5 6.219 -11.901 0.188 43 2HG2 VAL 5 2HG2 VAL 5 5.309 -12.709 -1.088 44 3HG2 VAL 5 3HG2 VAL 5 6.376 -13.642 -0.037 45 H GLY 6 H GLY 6 1.341 -12.616 -0.156 46 1HA GLY 6 1HA GLY 6 -0.520 -13.697 0.848 47 2HA GLY 6 2HA GLY 6 0.107 -13.251 2.433 48 H ASP 7 H ASP 7 0.466 -10.710 0.404 49 HA ASP 7 HA ASP 7 -2.142 -9.461 1.250 50 1HB ASP 7 1HB ASP 7 0.661 -8.301 1.191 51 2HB ASP 7 2HB ASP 7 -0.775 -7.288 1.185 52 H TYR 8 H TYR 8 -2.499 -7.444 -0.183 53 HA TYR 8 HA TYR 8 -2.136 -8.427 -2.921 54 1HB TYR 8 1HB TYR 8 -4.342 -6.819 -1.647 55 2HB TYR 8 2HB TYR 8 -4.188 -6.997 -3.393 56 HD1 TYR 8 HD1 TYR 8 -4.626 -9.125 -4.467 57 HD2 TYR 8 HD2 TYR 8 -5.021 -8.718 -0.253 58 HE1 TYR 8 HE1 TYR 8 -5.843 -11.266 -4.386 59 HE2 TYR 8 HE2 TYR 8 -6.238 -10.860 -0.169 60 HH TYR 8 HH TYR 8 -6.179 -13.090 -2.543 61 H LEU 9 H LEU 9 -1.669 -7.032 -4.578 62 HA LEU 9 HA LEU 9 -0.193 -4.635 -3.790 63 1HB LEU 9 1HB LEU 9 0.948 -6.423 -5.097 64 2HB LEU 9 2HB LEU 9 -0.197 -6.174 -6.396 65 HG LEU 9 HG LEU 9 1.545 -3.906 -5.471 66 1HD1 LEU 9 1HD1 LEU 9 3.048 -5.784 -5.881 67 2HD1 LEU 9 2HD1 LEU 9 3.193 -4.575 -7.158 68 3HD1 LEU 9 3HD1 LEU 9 2.288 -6.060 -7.449 69 1HD2 LEU 9 1HD2 LEU 9 0.326 -4.635 -8.138 70 2HD2 LEU 9 2HD2 LEU 9 1.280 -3.192 -7.797 71 3HD2 LEU 9 3HD2 LEU 9 -0.289 -3.415 -7.021 72 H VAL 10 H VAL 10 -0.770 -2.680 -4.401 73 HA VAL 10 HA VAL 10 -2.669 -2.254 -6.586 74 HB VAL 10 HB VAL 10 -3.020 -1.332 -3.746 75 1HG1 VAL 10 1HG1 VAL 10 -4.551 0.430 -4.486 76 2HG1 VAL 10 2HG1 VAL 10 -4.104 0.114 -6.162 77 3HG1 VAL 10 3HG1 VAL 10 -2.903 0.740 -5.032 78 1HG2 VAL 10 1HG2 VAL 10 -5.360 -1.841 -4.211 79 2HG2 VAL 10 2HG2 VAL 10 -4.316 -3.223 -4.546 80 3HG2 VAL 10 3HG2 VAL 10 -4.940 -2.246 -5.875 81 H VAL 11 H VAL 11 -2.126 -0.506 -7.830 82 HA VAL 11 HA VAL 11 -0.071 1.314 -6.753 83 HB VAL 11 HB VAL 11 -0.763 0.761 -9.648 84 1HG1 VAL 11 1HG1 VAL 11 -0.121 3.088 -9.318 85 2HG1 VAL 11 2HG1 VAL 11 1.144 2.209 -10.178 86 3HG1 VAL 11 3HG1 VAL 11 1.336 2.579 -8.464 87 1HG2 VAL 11 1HG2 VAL 11 1.695 0.082 -8.035 88 2HG2 VAL 11 2HG2 VAL 11 1.489 -0.199 -9.763 89 3HG2 VAL 11 3HG2 VAL 11 0.475 -1.058 -8.604 90 H LYS 12 H LYS 12 -1.146 2.961 -5.836 91 HA LYS 12 HA LYS 12 -3.577 3.948 -7.126 92 1HB LYS 12 1HB LYS 12 -4.018 5.137 -5.048 93 2HB LYS 12 2HB LYS 12 -3.699 3.439 -4.726 94 1HG LYS 12 1HG LYS 12 -1.483 3.945 -3.944 95 2HG LYS 12 2HG LYS 12 -1.663 5.638 -4.408 96 1HD LYS 12 1HD LYS 12 -3.319 4.203 -2.328 97 2HD LYS 12 2HD LYS 12 -1.978 5.301 -1.992 98 1HE LYS 12 1HE LYS 12 -3.178 7.130 -3.042 99 2HE LYS 12 2HE LYS 12 -4.499 6.046 -3.475 100 1HZ LYS 12 1HZ LYS 12 -4.857 5.658 -1.086 101 2HZ LYS 12 2HZ LYS 12 -5.083 7.278 -1.526 102 3HZ LYS 12 3HZ LYS 12 -3.661 6.809 -0.728 103 H GLY 13 H GLY 13 -0.280 4.733 -6.757 104 1HA GLY 13 1HA GLY 13 0.808 6.466 -7.912 105 2HA GLY 13 2HA GLY 13 -0.740 7.276 -8.101 106 H THR 14 H THR 14 -1.404 8.755 -6.578 107 HA THR 14 HA THR 14 0.485 9.211 -4.386 108 HB THR 14 HB THR 14 1.207 10.803 -5.944 109 HG1 THR 14 HG1 THR 14 -0.599 12.470 -4.584 110 1HG2 THR 14 1HG2 THR 14 -1.675 11.574 -6.423 111 2HG2 THR 14 2HG2 THR 14 -0.640 10.675 -7.533 112 3HG2 THR 14 3HG2 THR 14 -0.266 12.354 -7.145 113 H THR 15 H THR 15 -2.590 10.710 -5.523 114 HA THR 15 HA THR 15 -3.641 10.393 -2.816 115 HB THR 15 HB THR 15 -4.286 12.942 -3.045 116 HG1 THR 15 HG1 THR 15 -3.063 14.059 -4.416 117 1HG2 THR 15 1HG2 THR 15 -2.276 13.543 -1.766 118 2HG2 THR 15 2HG2 THR 15 -1.518 12.025 -2.245 119 3HG2 THR 15 3HG2 THR 15 -2.950 12.008 -1.216 120 H THR 16 H THR 16 -4.420 12.276 -5.755 121 HA THR 16 HA THR 16 -7.228 11.918 -5.200 122 HB THR 16 HB THR 16 -7.469 13.436 -7.227 123 HG1 THR 16 HG1 THR 16 -5.658 14.267 -8.114 124 1HG2 THR 16 1HG2 THR 16 -7.567 14.258 -4.920 125 2HG2 THR 16 2HG2 THR 16 -6.764 15.419 -5.975 126 3HG2 THR 16 3HG2 THR 16 -5.810 14.404 -4.895 127 H GLU 17 H GLU 17 -5.090 10.012 -6.814 128 HA GLU 17 HA GLU 17 -6.883 9.328 -9.005 129 1HB GLU 17 1HB GLU 17 -4.150 8.313 -8.227 130 2HB GLU 17 2HB GLU 17 -5.089 7.630 -9.547 131 1HG GLU 17 1HG GLU 17 -4.126 10.474 -9.348 132 2HG GLU 17 2HG GLU 17 -3.435 9.207 -10.363 133 H ARG 18 H ARG 18 -7.158 6.894 -9.367 134 HA ARG 18 HA ARG 18 -8.572 5.830 -7.103 135 1HB ARG 18 1HB ARG 18 -9.342 4.163 -8.605 136 2HB ARG 18 2HB ARG 18 -9.226 5.633 -9.565 137 1HG ARG 18 1HG ARG 18 -6.951 4.829 -10.296 138 2HG ARG 18 2HG ARG 18 -7.349 3.286 -9.544 139 1HD ARG 18 1HD ARG 18 -7.903 3.017 -11.802 140 2HD ARG 18 2HD ARG 18 -9.442 3.312 -10.991 141 HE ARG 18 HE ARG 18 -9.109 5.705 -11.748 142 1HH1 ARG 18 1HH1 ARG 18 -7.722 2.984 -13.475 143 2HH1 ARG 18 2HH1 ARG 18 -7.794 3.784 -15.022 144 1HH2 ARG 18 1HH2 ARG 18 -9.177 6.764 -13.772 145 2HH2 ARG 18 2HH2 ARG 18 -8.615 5.926 -15.196 146 H HIS 19 H HIS 19 -8.254 3.340 -6.700 147 HA HIS 19 HA HIS 19 -5.376 2.812 -6.519 148 1HB HIS 19 1HB HIS 19 -6.057 0.907 -4.981 149 2HB HIS 19 2HB HIS 19 -6.291 2.533 -4.368 150 HD1 HIS 19 HD1 HIS 19 -8.509 0.054 -6.253 151 HD2 HIS 19 HD2 HIS 19 -8.616 2.665 -3.029 152 HE1 HIS 19 HE1 HIS 19 -10.788 -0.226 -5.233 153 HE2 HIS 19 HE2 HIS 19 -10.734 1.181 -3.152 154 H ASP 20 H ASP 20 -4.835 2.130 -8.495 155 HA ASP 20 HA ASP 20 -6.479 0.085 -9.817 156 1HB ASP 20 1HB ASP 20 -5.571 2.407 -10.831 157 2HB ASP 20 2HB ASP 20 -4.194 1.382 -11.222 158 H GLN 21 H GLN 21 -4.623 -1.074 -11.499 159 HA GLN 21 HA GLN 21 -3.402 -3.012 -11.506 160 1HB GLN 21 1HB GLN 21 -1.586 -1.116 -10.030 161 2HB GLN 21 2HB GLN 21 -1.073 -2.725 -10.504 162 1HG GLN 21 1HG GLN 21 -0.268 -1.421 -12.212 163 2HG GLN 21 2HG GLN 21 -1.792 -2.005 -12.874 164 1HE2 GLN 21 1HE2 GLN 21 -0.058 0.722 -11.645 165 2HE2 GLN 21 2HE2 GLN 21 -1.185 1.928 -12.152 166 H HIS 22 H HIS 22 -4.494 -4.609 -10.333 167 HA HIS 22 HA HIS 22 -3.640 -4.863 -7.538 168 1HB HIS 22 1HB HIS 22 -5.898 -3.745 -7.728 169 2HB HIS 22 2HB HIS 22 -6.510 -5.263 -8.370 170 HD1 HIS 22 HD1 HIS 22 -6.742 -3.566 -5.418 171 HD2 HIS 22 HD2 HIS 22 -5.429 -7.405 -6.267 172 HE1 HIS 22 HE1 HIS 22 -6.940 -4.838 -3.266 173 HE2 HIS 22 HE2 HIS 22 -6.290 -7.195 -3.852 174 H ALA 23 H ALA 23 -3.207 -6.781 -6.823 175 HA ALA 23 HA ALA 23 -4.494 -9.256 -7.602 176 1HB ALA 23 1HB ALA 23 -2.573 -10.396 -8.549 177 2HB ALA 23 2HB ALA 23 -1.638 -8.902 -8.512 178 3HB ALA 23 3HB ALA 23 -3.043 -9.036 -9.569 179 H GLU 24 H GLU 24 -3.079 -11.107 -6.612 180 HA GLU 24 HA GLU 24 -2.273 -10.125 -3.965 181 1HB GLU 24 1HB GLU 24 -3.917 -11.964 -4.057 182 2HB GLU 24 2HB GLU 24 -2.737 -12.963 -4.895 183 1HG GLU 24 1HG GLU 24 -1.292 -12.948 -2.959 184 2HG GLU 24 2HG GLU 24 -2.387 -11.853 -2.118 185 H ILE 25 H ILE 25 -0.260 -10.270 -3.184 186 HA ILE 25 HA ILE 25 1.800 -11.224 -5.029 187 HB ILE 25 HB ILE 25 2.537 -9.931 -2.453 188 1HG1 ILE 25 1HG1 ILE 25 1.528 -8.328 -4.816 189 2HG1 ILE 25 2HG1 ILE 25 0.631 -8.560 -3.318 190 1HG2 ILE 25 1HG2 ILE 25 4.286 -8.960 -3.863 191 2HG2 ILE 25 2HG2 ILE 25 3.547 -9.695 -5.286 192 3HG2 ILE 25 3HG2 ILE 25 4.229 -10.715 -4.018 193 1HD1 ILE 25 1HD1 ILE 25 1.749 -6.398 -3.373 194 2HD1 ILE 25 2HD1 ILE 25 3.307 -7.203 -3.566 195 3HD1 ILE 25 3HD1 ILE 25 2.383 -7.417 -2.079 196 H ILE 26 H ILE 26 2.115 -13.321 -4.788 197 HA ILE 26 HA ILE 26 2.394 -14.405 -2.067 198 HB ILE 26 HB ILE 26 2.105 -16.628 -2.945 199 1HG1 ILE 26 1HG1 ILE 26 3.201 -16.212 -5.187 200 2HG1 ILE 26 2HG1 ILE 26 1.718 -17.153 -5.268 201 1HG2 ILE 26 1HG2 ILE 26 -0.000 -14.739 -4.039 202 2HG2 ILE 26 2HG2 ILE 26 0.074 -15.389 -2.402 203 3HG2 ILE 26 3HG2 ILE 26 -0.224 -16.466 -3.765 204 1HD1 ILE 26 1HD1 ILE 26 0.506 -15.176 -6.009 205 2HD1 ILE 26 2HD1 ILE 26 1.853 -15.560 -7.080 206 3HD1 ILE 26 3HD1 ILE 26 1.994 -14.233 -5.926 207 H GLU 27 H GLU 27 4.029 -13.728 -5.025 208 HA GLU 27 HA GLU 27 6.479 -14.920 -3.914 209 1HB GLU 27 1HB GLU 27 5.808 -14.329 -6.803 210 2HB GLU 27 2HB GLU 27 7.329 -14.989 -6.226 211 1HG GLU 27 1HG GLU 27 4.710 -16.371 -5.774 212 2HG GLU 27 2HG GLU 27 5.662 -16.601 -7.238 213 H VAL 28 H VAL 28 7.268 -13.264 -2.778 214 HA VAL 28 HA VAL 28 7.744 -10.729 -4.162 215 HB VAL 28 HB VAL 28 7.774 -11.372 -1.209 216 1HG1 VAL 28 1HG1 VAL 28 9.550 -9.786 -1.725 217 2HG1 VAL 28 2HG1 VAL 28 8.235 -9.003 -0.848 218 3HG1 VAL 28 3HG1 VAL 28 8.398 -8.768 -2.588 219 1HG2 VAL 28 1HG2 VAL 28 5.550 -11.102 -2.171 220 2HG2 VAL 28 2HG2 VAL 28 6.026 -9.547 -2.856 221 3HG2 VAL 28 3HG2 VAL 28 5.943 -9.753 -1.106 222 H ARG 29 H ARG 29 9.826 -10.281 -4.774 223 HA ARG 29 HA ARG 29 11.679 -12.425 -4.669 224 1HB ARG 29 1HB ARG 29 12.096 -9.606 -5.656 225 2HB ARG 29 2HB ARG 29 13.168 -10.966 -5.962 226 1HG ARG 29 1HG ARG 29 11.146 -12.100 -7.029 227 2HG ARG 29 2HG ARG 29 10.392 -10.506 -7.001 228 1HD ARG 29 1HD ARG 29 12.987 -11.231 -8.354 229 2HD ARG 29 2HD ARG 29 11.444 -10.932 -9.153 230 HE ARG 29 HE ARG 29 11.643 -8.609 -8.213 231 1HH1 ARG 29 1HH1 ARG 29 14.467 -10.595 -8.814 232 2HH1 ARG 29 2HH1 ARG 29 15.530 -9.248 -9.087 233 1HH2 ARG 29 1HH2 ARG 29 13.026 -6.826 -8.602 234 2HH2 ARG 29 2HH2 ARG 29 14.709 -7.093 -8.954 235 H SER 30 H SER 30 11.526 -9.325 -3.035 236 HA SER 30 HA SER 30 13.308 -10.396 -1.009 237 1HB SER 30 1HB SER 30 14.637 -8.287 -0.935 238 2HB SER 30 2HB SER 30 14.863 -9.189 -2.433 239 HG SER 30 HG SER 30 14.380 -6.742 -2.400 240 H ALA 31 H ALA 31 12.965 -9.510 1.036 241 HA ALA 31 HA ALA 31 10.292 -8.627 1.439 242 1HB ALA 31 1HB ALA 31 10.805 -8.745 3.806 243 2HB ALA 31 2HB ALA 31 12.525 -8.885 3.444 244 3HB ALA 31 3HB ALA 31 11.417 -10.171 2.970 245 H ASP 32 H ASP 32 10.546 -6.648 0.141 246 HA ASP 32 HA ASP 32 10.559 -4.377 1.828 247 1HB ASP 32 1HB ASP 32 12.966 -4.437 1.656 248 2HB ASP 32 2HB ASP 32 12.883 -4.643 -0.091 249 H GLY 33 H GLY 33 11.236 -5.215 -1.563 250 1HA GLY 33 1HA GLY 33 8.972 -4.848 -2.854 251 2HA GLY 33 2HA GLY 33 9.315 -3.180 -2.410 252 H SER 34 H SER 34 10.269 -5.887 -4.374 253 HA SER 34 HA SER 34 11.927 -4.074 -5.971 254 1HB SER 34 1HB SER 34 13.449 -6.073 -6.374 255 2HB SER 34 2HB SER 34 13.519 -5.365 -4.760 256 HG SER 34 HG SER 34 13.034 -7.273 -4.050 257 HA PRO 35 HA PRO 35 8.897 -5.850 -8.917 258 1HB PRO 35 1HB PRO 35 9.947 -3.576 -10.496 259 2HB PRO 35 2HB PRO 35 8.274 -4.016 -10.138 260 1HG PRO 35 1HG PRO 35 9.431 -1.907 -8.971 261 2HG PRO 35 2HG PRO 35 8.290 -2.939 -8.090 262 1HD PRO 35 1HD PRO 35 11.281 -2.876 -7.960 263 2HD PRO 35 2HD PRO 35 10.099 -3.066 -6.648 264 HA PRO 36 HA PRO 36 8.214 -6.317 -10.982 265 1HB PRO 36 1HB PRO 36 7.981 -8.676 -12.241 266 2HB PRO 36 2HB PRO 36 8.552 -7.228 -13.082 267 1HG PRO 36 1HG PRO 36 10.124 -9.513 -11.958 268 2HG PRO 36 2HG PRO 36 10.327 -8.667 -13.503 269 1HD PRO 36 1HD PRO 36 11.851 -8.166 -11.282 270 2HD PRO 36 2HD PRO 36 11.535 -6.968 -12.551 271 H TYR 37 H TYR 37 6.487 -7.843 -10.349 272 HA TYR 37 HA TYR 37 7.305 -9.533 -8.062 273 1HB TYR 37 1HB TYR 37 4.712 -8.044 -8.539 274 2HB TYR 37 2HB TYR 37 4.999 -9.147 -7.200 275 HD1 TYR 37 HD1 TYR 37 6.490 -8.514 -5.364 276 HD2 TYR 37 HD2 TYR 37 5.671 -5.823 -8.560 277 HE1 TYR 37 HE1 TYR 37 7.370 -6.654 -4.017 278 HE2 TYR 37 HE2 TYR 37 6.551 -3.957 -7.218 279 HH TYR 37 HH TYR 37 6.907 -3.405 -4.854 280 H VAL 38 H VAL 38 6.149 -11.558 -7.813 281 HA VAL 38 HA VAL 38 4.886 -12.422 -10.325 282 HB VAL 38 HB VAL 38 5.718 -14.123 -7.961 283 1HG1 VAL 38 1HG1 VAL 38 4.666 -14.905 -10.684 284 2HG1 VAL 38 2HG1 VAL 38 3.799 -15.049 -9.155 285 3HG1 VAL 38 3HG1 VAL 38 5.241 -16.021 -9.445 286 1HG2 VAL 38 1HG2 VAL 38 7.488 -14.949 -9.435 287 2HG2 VAL 38 2HG2 VAL 38 7.635 -13.210 -9.183 288 3HG2 VAL 38 3HG2 VAL 38 6.970 -13.829 -10.695 289 H VAL 39 H VAL 39 2.867 -11.977 -10.391 290 HA VAL 39 HA VAL 39 1.485 -11.514 -7.858 291 HB VAL 39 HB VAL 39 2.052 -9.812 -9.969 292 1HG1 VAL 39 1HG1 VAL 39 -0.110 -9.115 -10.858 293 2HG1 VAL 39 2HG1 VAL 39 -0.879 -10.484 -10.055 294 3HG1 VAL 39 3HG1 VAL 39 0.299 -10.762 -11.337 295 1HG2 VAL 39 1HG2 VAL 39 0.017 -9.525 -7.770 296 2HG2 VAL 39 2HG2 VAL 39 0.696 -8.200 -8.715 297 3HG2 VAL 39 3HG2 VAL 39 1.739 -9.163 -7.670 298 H ARG 40 H ARG 40 -0.868 -11.751 -7.921 299 HA ARG 40 HA ARG 40 -1.624 -14.118 -9.499 300 1HB ARG 40 1HB ARG 40 -0.683 -14.502 -7.146 301 2HB ARG 40 2HB ARG 40 -2.136 -13.729 -6.554 302 1HG ARG 40 1HG ARG 40 -3.493 -15.501 -7.510 303 2HG ARG 40 2HG ARG 40 -2.036 -16.275 -8.157 304 1HD ARG 40 1HD ARG 40 -1.137 -16.398 -5.851 305 2HD ARG 40 2HD ARG 40 -2.656 -15.741 -5.253 306 HE ARG 40 HE ARG 40 -2.962 -18.138 -6.812 307 1HH1 ARG 40 1HH1 ARG 40 -2.488 -16.768 -3.616 308 2HH1 ARG 40 2HH1 ARG 40 -2.919 -18.237 -2.786 309 1HH2 ARG 40 1HH2 ARG 40 -3.533 -20.070 -5.717 310 2HH2 ARG 40 2HH2 ARG 40 -3.529 -20.097 -3.979 311 H TRP 41 H TRP 41 -3.210 -13.060 -10.762 312 HA TRP 41 HA TRP 41 -5.219 -11.428 -9.446 313 1HB TRP 41 1HB TRP 41 -5.944 -12.400 -12.111 314 2HB TRP 41 2HB TRP 41 -5.878 -10.756 -11.500 315 HD1 TRP 41 HD1 TRP 41 -3.872 -13.315 -13.441 316 HE1 TRP 41 HE1 TRP 41 -1.881 -12.148 -14.562 317 HE3 TRP 41 HE3 TRP 41 -4.223 -8.753 -11.163 318 HZ2 TRP 41 HZ2 TRP 41 -0.615 -9.620 -14.487 319 HZ3 TRP 41 HZ3 TRP 41 -2.582 -7.016 -11.744 320 HH2 TRP 41 HH2 TRP 41 -0.815 -7.442 -13.372 321 H LEU 42 H LEU 42 -5.770 -13.056 -7.922 322 HA LEU 42 HA LEU 42 -6.619 -15.652 -8.932 323 1HB LEU 42 1HB LEU 42 -6.816 -16.176 -6.480 324 2HB LEU 42 2HB LEU 42 -5.214 -15.753 -7.058 325 HG LEU 42 HG LEU 42 -5.942 -13.337 -6.263 326 1HD1 LEU 42 1HD1 LEU 42 -7.253 -13.441 -4.210 327 2HD1 LEU 42 2HD1 LEU 42 -7.560 -15.156 -4.494 328 3HD1 LEU 42 3HD1 LEU 42 -8.193 -13.948 -5.612 329 1HD2 LEU 42 1HD2 LEU 42 -4.009 -14.562 -5.501 330 2HD2 LEU 42 2HD2 LEU 42 -5.024 -15.526 -4.429 331 3HD2 LEU 42 3HD2 LEU 42 -4.839 -13.795 -4.150 332 H VAL 43 H VAL 43 -8.067 -12.741 -7.766 333 HA VAL 43 HA VAL 43 -10.627 -14.027 -7.278 334 HB VAL 43 HB VAL 43 -9.581 -11.906 -6.118 335 1HG1 VAL 43 1HG1 VAL 43 -9.341 -10.536 -8.072 336 2HG1 VAL 43 2HG1 VAL 43 -10.496 -9.810 -6.955 337 3HG1 VAL 43 3HG1 VAL 43 -11.071 -10.646 -8.397 338 1HG2 VAL 43 1HG2 VAL 43 -11.816 -11.167 -5.466 339 2HG2 VAL 43 2HG2 VAL 43 -11.639 -12.922 -5.432 340 3HG2 VAL 43 3HG2 VAL 43 -12.503 -12.148 -6.761 341 H ASN 44 H ASN 44 -8.857 -13.008 -9.860 342 HA ASN 44 HA ASN 44 -11.184 -12.656 -11.608 343 1HB ASN 44 1HB ASN 44 -8.214 -12.353 -12.141 344 2HB ASN 44 2HB ASN 44 -9.462 -12.180 -13.373 345 1HD2 ASN 44 1HD2 ASN 44 -7.917 -10.738 -10.635 346 2HD2 ASN 44 2HD2 ASN 44 -8.655 -9.183 -10.785 347 H GLY 45 H GLY 45 -8.095 -14.444 -11.654 348 1HA GLY 45 1HA GLY 45 -8.566 -16.971 -11.566 349 2HA GLY 45 2HA GLY 45 -9.487 -16.648 -13.026 350 H HIS 46 H HIS 46 -6.341 -15.314 -12.029 351 HA HIS 46 HA HIS 46 -4.895 -16.979 -13.888 352 1HB HIS 46 1HB HIS 46 -5.509 -14.122 -14.529 353 2HB HIS 46 2HB HIS 46 -3.929 -14.761 -14.962 354 HD1 HIS 46 HD1 HIS 46 -7.227 -14.357 -16.295 355 HD2 HIS 46 HD2 HIS 46 -4.248 -17.247 -16.608 356 HE1 HIS 46 HE1 HIS 46 -7.763 -15.667 -18.373 357 HE2 HIS 46 HE2 HIS 46 -6.012 -17.477 -18.485 358 H GLU 47 H GLU 47 -2.543 -16.460 -13.882 359 HA GLU 47 HA GLU 47 -1.592 -14.787 -11.699 360 1HB GLU 47 1HB GLU 47 -2.022 -16.949 -10.605 361 2HB GLU 47 2HB GLU 47 -1.039 -17.765 -11.808 362 1HG GLU 47 1HG GLU 47 0.211 -15.605 -10.191 363 2HG GLU 47 2HG GLU 47 -0.099 -17.161 -9.425 364 H THR 48 H THR 48 0.379 -13.901 -12.169 365 HA THR 48 HA THR 48 2.223 -15.035 -14.012 366 HB THR 48 HB THR 48 0.512 -14.370 -15.624 367 HG1 THR 48 HG1 THR 48 2.260 -14.129 -16.765 368 1HG2 THR 48 1HG2 THR 48 -0.516 -12.506 -14.434 369 2HG2 THR 48 2HG2 THR 48 0.022 -11.986 -16.031 370 3HG2 THR 48 3HG2 THR 48 0.968 -11.567 -14.603 371 H THR 49 H THR 49 3.726 -13.188 -14.806 372 HA THR 49 HA THR 49 4.509 -11.724 -12.379 373 HB THR 49 HB THR 49 6.156 -12.252 -14.863 374 HG1 THR 49 HG1 THR 49 5.344 -14.002 -13.089 375 1HG2 THR 49 1HG2 THR 49 6.940 -10.369 -13.498 376 2HG2 THR 49 2HG2 THR 49 8.058 -11.730 -13.409 377 3HG2 THR 49 3HG2 THR 49 6.954 -11.408 -12.072 378 H VAL 50 H VAL 50 4.284 -9.562 -12.303 379 HA VAL 50 HA VAL 50 3.806 -8.162 -14.846 380 HB VAL 50 HB VAL 50 1.670 -8.759 -13.629 381 1HG1 VAL 50 1HG1 VAL 50 2.646 -6.676 -11.684 382 2HG1 VAL 50 2HG1 VAL 50 2.421 -8.394 -11.352 383 3HG1 VAL 50 3HG1 VAL 50 1.027 -7.377 -11.719 384 1HG2 VAL 50 1HG2 VAL 50 0.631 -6.577 -14.011 385 2HG2 VAL 50 2HG2 VAL 50 1.740 -7.007 -15.314 386 3HG2 VAL 50 3HG2 VAL 50 2.229 -5.832 -14.092 387 H TYR 51 H TYR 51 4.185 -5.927 -14.837 388 HA TYR 51 HA TYR 51 5.930 -4.948 -12.685 389 1HB TYR 51 1HB TYR 51 5.592 -3.831 -15.482 390 2HB TYR 51 2HB TYR 51 6.806 -3.361 -14.300 391 HD1 TYR 51 HD1 TYR 51 5.780 -5.953 -16.693 392 HD2 TYR 51 HD2 TYR 51 8.776 -4.714 -13.941 393 HE1 TYR 51 HE1 TYR 51 7.318 -7.629 -17.625 394 HE2 TYR 51 HE2 TYR 51 10.323 -6.385 -14.868 395 HH TYR 51 HH TYR 51 9.867 -7.928 -17.766 396 HA PRO 52 HA PRO 52 2.035 -2.728 -11.814 397 1HB PRO 52 1HB PRO 52 2.785 -1.916 -9.327 398 2HB PRO 52 2HB PRO 52 2.144 -3.526 -9.666 399 1HG PRO 52 1HG PRO 52 4.989 -2.651 -9.338 400 2HG PRO 52 2HG PRO 52 4.179 -4.090 -8.690 401 1HD PRO 52 1HD PRO 52 5.756 -4.194 -10.874 402 2HD PRO 52 2HD PRO 52 4.323 -5.228 -10.694 403 H GLY 53 H GLY 53 5.332 -1.563 -11.476 404 1HA GLY 53 1HA GLY 53 5.944 0.531 -12.537 405 2HA GLY 53 2HA GLY 53 4.375 1.162 -12.054 406 H SER 54 H SER 54 4.669 2.686 -10.588 407 HA SER 54 HA SER 54 6.534 2.158 -8.374 408 1HB SER 54 1HB SER 54 5.964 4.850 -9.645 409 2HB SER 54 2HB SER 54 7.094 4.531 -8.329 410 HG SER 54 HG SER 54 8.159 3.057 -9.880 411 H ASP 55 H ASP 55 6.004 3.451 -6.407 412 HA ASP 55 HA ASP 55 4.604 3.917 -4.699 413 1HB ASP 55 1HB ASP 55 3.114 5.121 -7.005 414 2HB ASP 55 2HB ASP 55 2.402 5.119 -5.393 415 H ALA 56 H ALA 56 4.597 1.382 -5.149 416 HA ALA 56 HA ALA 56 1.871 0.411 -5.462 417 1HB ALA 56 1HB ALA 56 4.419 -1.147 -5.026 418 2HB ALA 56 2HB ALA 56 3.678 -0.807 -6.588 419 3HB ALA 56 3HB ALA 56 2.837 -1.822 -5.418 420 H VAL 57 H VAL 57 0.579 0.286 -3.809 421 HA VAL 57 HA VAL 57 1.666 0.244 -1.089 422 HB VAL 57 HB VAL 57 -0.547 0.927 -0.340 423 1HG1 VAL 57 1HG1 VAL 57 -0.650 3.146 -1.369 424 2HG1 VAL 57 2HG1 VAL 57 0.422 2.593 -2.656 425 3HG1 VAL 57 3HG1 VAL 57 1.008 2.673 -0.995 426 1HG2 VAL 57 1HG2 VAL 57 -2.321 1.468 -1.958 427 2HG2 VAL 57 2HG2 VAL 57 -1.918 -0.249 -1.952 428 3HG2 VAL 57 3HG2 VAL 57 -1.329 0.790 -3.249 429 H VAL 58 H VAL 58 0.196 -1.006 0.490 430 HA VAL 58 HA VAL 58 -0.203 -3.673 -0.695 431 HB VAL 58 HB VAL 58 0.665 -2.992 2.120 432 1HG1 VAL 58 1HG1 VAL 58 0.395 -5.654 0.734 433 2HG1 VAL 58 2HG1 VAL 58 -0.626 -5.048 2.039 434 3HG1 VAL 58 3HG1 VAL 58 1.077 -5.398 2.340 435 1HG2 VAL 58 1HG2 VAL 58 2.829 -3.929 1.460 436 2HG2 VAL 58 2HG2 VAL 58 2.413 -2.520 0.485 437 3HG2 VAL 58 3HG2 VAL 58 2.235 -4.142 -0.187 438 H VAL 59 H VAL 59 -2.246 -4.259 -0.787 439 HA VAL 59 HA VAL 59 -4.156 -3.251 1.198 440 HB VAL 59 HB VAL 59 -5.769 -4.167 -0.643 441 1HG1 VAL 59 1HG1 VAL 59 -5.811 -1.951 -1.695 442 2HG1 VAL 59 2HG1 VAL 59 -4.255 -1.586 -0.948 443 3HG1 VAL 59 3HG1 VAL 59 -5.680 -1.848 0.061 444 1HG2 VAL 59 1HG2 VAL 59 -4.897 -3.847 -2.903 445 2HG2 VAL 59 2HG2 VAL 59 -4.073 -5.151 -2.051 446 3HG2 VAL 59 3HG2 VAL 59 -3.290 -3.582 -2.228 447 H THR 60 H THR 60 -6.115 -4.827 1.214 448 HA THR 60 HA THR 60 -5.091 -7.556 1.770 449 HB THR 60 HB THR 60 -6.880 -7.420 3.678 450 HG1 THR 60 HG1 THR 60 -6.345 -4.646 3.324 451 1HG2 THR 60 1HG2 THR 60 -5.237 -6.485 5.226 452 2HG2 THR 60 2HG2 THR 60 -4.332 -5.827 3.864 453 3HG2 THR 60 3HG2 THR 60 -4.471 -7.572 4.069 454 H ALA 61 H ALA 61 -7.487 -8.687 2.582 455 HA ALA 61 HA ALA 61 -8.580 -9.637 0.276 456 1HB ALA 61 1HB ALA 61 -9.928 -9.551 2.961 457 2HB ALA 61 2HB ALA 61 -8.711 -10.724 2.459 458 3HB ALA 61 3HB ALA 61 -10.274 -10.671 1.644 459 H THR 62 H THR 62 -10.043 -6.992 2.254 460 HA THR 62 HA THR 62 -12.483 -7.000 0.802 461 HB THR 62 HB THR 62 -12.407 -4.473 1.658 462 HG1 THR 62 HG1 THR 62 -11.127 -4.332 3.522 463 1HG2 THR 62 1HG2 THR 62 -12.856 -6.893 3.404 464 2HG2 THR 62 2HG2 THR 62 -14.040 -6.153 2.325 465 3HG2 THR 62 3HG2 THR 62 -13.455 -5.266 3.735 466 H GLU 63 H GLU 63 -9.679 -4.864 0.617 467 HA GLU 63 HA GLU 63 -10.498 -3.392 -1.633 468 1HB GLU 63 1HB GLU 63 -7.723 -4.059 -0.637 469 2HB GLU 63 2HB GLU 63 -8.093 -2.818 -1.825 470 1HG GLU 63 1HG GLU 63 -9.213 -2.824 0.960 471 2HG GLU 63 2HG GLU 63 -7.710 -2.013 0.515 472 H HIS 64 H HIS 64 -9.480 -6.586 -1.297 473 HA HIS 64 HA HIS 64 -8.135 -6.834 -3.795 474 1HB HIS 64 1HB HIS 64 -7.308 -8.610 -2.769 475 2HB HIS 64 2HB HIS 64 -8.427 -8.376 -1.440 476 HD1 HIS 64 HD1 HIS 64 -8.056 -10.314 -4.672 477 HD2 HIS 64 HD2 HIS 64 -10.345 -10.324 -1.192 478 HE1 HIS 64 HE1 HIS 64 -9.271 -12.510 -4.648 479 HE2 HIS 64 HE2 HIS 64 -10.412 -12.599 -2.411 480 H ALA 65 H ALA 65 -11.469 -7.272 -2.783 481 HA ALA 65 HA ALA 65 -12.177 -9.076 -4.852 482 1HB ALA 65 1HB ALA 65 -14.481 -8.529 -4.280 483 2HB ALA 65 2HB ALA 65 -13.936 -7.129 -3.359 484 3HB ALA 65 3HB ALA 65 -13.516 -8.755 -2.821 485 H GLU 66 H GLU 66 -13.365 -5.777 -4.563 486 HA GLU 66 HA GLU 66 -14.223 -5.649 -7.233 487 1HB GLU 66 1HB GLU 66 -14.258 -3.062 -6.464 488 2HB GLU 66 2HB GLU 66 -15.483 -4.232 -5.999 489 1HG GLU 66 1HG GLU 66 -14.971 -3.195 -3.985 490 2HG GLU 66 2HG GLU 66 -13.982 -4.653 -3.928 491 H ALA 67 H ALA 67 -11.456 -4.181 -5.580 492 HA ALA 67 HA ALA 67 -10.549 -2.743 -7.823 493 1HB ALA 67 1HB ALA 67 -8.521 -2.361 -6.572 494 2HB ALA 67 2HB ALA 67 -8.956 -3.637 -5.436 495 3HB ALA 67 3HB ALA 67 -9.931 -2.170 -5.531 496 H GLU 68 H GLU 68 -9.755 -6.049 -6.693 497 HA GLU 68 HA GLU 68 -7.490 -6.264 -8.399 498 1HB GLU 68 1HB GLU 68 -7.990 -7.762 -6.451 499 2HB GLU 68 2HB GLU 68 -9.203 -8.542 -7.451 500 1HG GLU 68 1HG GLU 68 -7.484 -9.240 -9.019 501 2HG GLU 68 2HG GLU 68 -6.258 -8.423 -8.044 502 H LYS 69 H LYS 69 -10.925 -7.115 -8.811 503 HA LYS 69 HA LYS 69 -10.642 -8.316 -11.328 504 1HB LYS 69 1HB LYS 69 -12.925 -6.660 -10.249 505 2HB LYS 69 2HB LYS 69 -13.009 -7.604 -11.731 506 1HG LYS 69 1HG LYS 69 -12.564 -9.642 -10.440 507 2HG LYS 69 2HG LYS 69 -12.520 -8.681 -8.962 508 1HD LYS 69 1HD LYS 69 -14.841 -7.988 -9.360 509 2HD LYS 69 2HD LYS 69 -14.880 -8.986 -10.815 510 1HE LYS 69 1HE LYS 69 -14.379 -10.000 -8.019 511 2HE LYS 69 2HE LYS 69 -15.923 -10.083 -8.862 512 1HZ LYS 69 1HZ LYS 69 -14.929 -11.509 -10.521 513 2HZ LYS 69 2HZ LYS 69 -14.683 -12.168 -8.977 514 3HZ LYS 69 3HZ LYS 69 -13.413 -11.388 -9.774 515 H ARG 70 H ARG 70 -11.564 -4.910 -10.706 516 HA ARG 70 HA ARG 70 -11.486 -4.193 -13.446 517 1HB ARG 70 1HB ARG 70 -12.550 -3.004 -11.352 518 2HB ARG 70 2HB ARG 70 -11.004 -2.175 -11.281 519 1HG ARG 70 1HG ARG 70 -12.829 -2.193 -13.680 520 2HG ARG 70 2HG ARG 70 -12.760 -0.909 -12.474 521 1HD ARG 70 1HD ARG 70 -10.456 -0.450 -13.052 522 2HD ARG 70 2HD ARG 70 -10.441 -1.803 -14.181 523 HE ARG 70 HE ARG 70 -12.166 0.569 -14.542 524 1HH1 ARG 70 1HH1 ARG 70 -10.009 -1.892 -15.800 525 2HH1 ARG 70 2HH1 ARG 70 -10.094 -1.321 -17.440 526 1HH2 ARG 70 1HH2 ARG 70 -12.242 1.365 -16.687 527 2HH2 ARG 70 2HH2 ARG 70 -11.334 0.557 -17.939 528 H ALA 71 H ALA 71 -9.080 -3.974 -10.882 529 HA ALA 71 HA ALA 71 -7.310 -2.367 -12.481 530 1HB ALA 71 1HB ALA 71 -7.533 -1.994 -10.079 531 2HB ALA 71 2HB ALA 71 -5.869 -2.344 -10.546 532 3HB ALA 71 3HB ALA 71 -6.850 -3.590 -9.774 533 H ALA 72 H ALA 72 -7.683 -5.799 -11.942 534 HA ALA 72 HA ALA 72 -5.022 -6.414 -12.838 535 1HB ALA 72 1HB ALA 72 -5.810 -8.693 -13.203 536 2HB ALA 72 2HB ALA 72 -7.475 -8.174 -12.943 537 3HB ALA 72 3HB ALA 72 -6.313 -8.107 -11.617 538 H ALA 73 H ALA 73 -8.203 -6.049 -14.321 539 HA ALA 73 HA ALA 73 -7.487 -6.612 -16.970 540 1HB ALA 73 1HB ALA 73 -9.801 -6.293 -16.249 541 2HB ALA 73 2HB ALA 73 -9.409 -5.253 -17.619 542 3HB ALA 73 3HB ALA 73 -9.487 -4.576 -15.993 543 H ARG 74 H ARG 74 -7.122 -3.633 -15.091 544 HA ARG 74 HA ARG 74 -6.136 -2.165 -17.371 545 1HB ARG 74 1HB ARG 74 -7.357 -1.433 -15.063 546 2HB ARG 74 2HB ARG 74 -5.683 -1.061 -14.677 547 1HG ARG 74 1HG ARG 74 -7.038 -0.076 -17.170 548 2HG ARG 74 2HG ARG 74 -7.063 0.812 -15.648 549 1HD ARG 74 1HD ARG 74 -4.543 -0.043 -17.061 550 2HD ARG 74 2HD ARG 74 -5.294 1.538 -17.261 551 HE ARG 74 HE ARG 74 -4.623 0.704 -14.547 552 1HH1 ARG 74 1HH1 ARG 74 -3.789 2.633 -17.361 553 2HH1 ARG 74 2HH1 ARG 74 -2.719 3.680 -16.480 554 1HH2 ARG 74 1HH2 ARG 74 -3.242 2.085 -13.399 555 2HH2 ARG 74 2HH2 ARG 74 -2.416 3.382 -14.220 556 H ALA 75 H ALA 75 -4.679 -3.722 -14.530 557 HA ALA 75 HA ALA 75 -2.087 -2.685 -14.672 558 1HB ALA 75 1HB ALA 75 -2.937 -4.042 -12.809 559 2HB ALA 75 2HB ALA 75 -1.385 -4.625 -13.412 560 3HB ALA 75 3HB ALA 75 -2.872 -5.472 -13.837 561 H GLY 76 H GLY 76 -3.303 -5.714 -16.129 562 1HA GLY 76 1HA GLY 76 -0.806 -5.932 -17.641 563 2HA GLY 76 2HA GLY 76 -2.044 -7.172 -17.501 564 H HIS 77 H HIS 77 -2.811 -3.857 -18.267 565 HA HIS 77 HA HIS 77 -4.156 -4.728 -20.659 566 1HB HIS 77 1HB HIS 77 -5.064 -2.982 -19.103 567 2HB HIS 77 2HB HIS 77 -3.777 -1.907 -19.635 568 HD1 HIS 77 HD1 HIS 77 -4.479 -0.339 -21.403 569 HD2 HIS 77 HD2 HIS 77 -6.666 -3.878 -21.505 570 HE1 HIS 77 HE1 HIS 77 -6.178 -0.038 -23.235 571 HE2 HIS 77 HE2 HIS 77 -7.410 -2.237 -23.359 572 H ALA 78 H ALA 78 -2.572 -5.406 -22.069 573 HA ALA 78 HA ALA 78 -1.155 -5.226 -23.834 574 1HB ALA 78 1HB ALA 78 -1.626 -2.255 -23.602 575 2HB ALA 78 2HB ALA 78 -2.622 -3.383 -24.523 576 3HB ALA 78 3HB ALA 78 -0.945 -3.102 -24.992 577 H ALA 79 H ALA 79 -0.263 -4.941 -20.973 578 HA ALA 79 HA ALA 79 2.067 -3.264 -21.038 579 1HB ALA 79 1HB ALA 79 1.251 -5.351 -19.020 580 2HB ALA 79 2HB ALA 79 0.822 -3.640 -18.962 581 3HB ALA 79 3HB ALA 79 2.509 -4.134 -18.807 582 H THR 80 H THR 80 1.363 -6.505 -21.924 583 HA THR 80 HA THR 80 4.185 -7.259 -21.855 584 HB THR 80 HB THR 80 3.315 -9.530 -22.522 585 HG1 THR 80 HG1 THR 80 1.273 -8.651 -23.342 586 1HG2 THR 80 1HG2 THR 80 3.842 -8.987 -20.194 587 2HG2 THR 80 2HG2 THR 80 2.457 -10.074 -20.294 588 3HG2 THR 80 3HG2 THR 80 2.209 -8.358 -19.965 Start of MODEL 14 1 H MET 1 H MET 1 8.967 1.943 -0.407 2 HA MET 1 HA MET 1 7.438 0.299 0.567 3 1HB MET 1 1HB MET 1 7.384 0.920 -1.842 4 2HB MET 1 2HB MET 1 8.475 -0.416 -2.185 5 1HG MET 1 1HG MET 1 6.760 -1.962 -1.241 6 2HG MET 1 2HG MET 1 5.667 -0.586 -1.121 7 1HE MET 1 1HE MET 1 3.851 -1.844 -2.521 8 2HE MET 1 2HE MET 1 4.905 -3.252 -2.660 9 3HE MET 1 3HE MET 1 4.143 -2.574 -4.100 10 H HIS 2 H HIS 2 6.961 -1.854 0.995 11 HA HIS 2 HA HIS 2 9.019 -3.869 0.452 12 1HB HIS 2 1HB HIS 2 7.722 -3.337 3.130 13 2HB HIS 2 2HB HIS 2 8.349 -4.927 2.714 14 HD1 HIS 2 HD1 HIS 2 10.838 -5.295 2.946 15 HD2 HIS 2 HD2 HIS 2 9.728 -1.299 3.318 16 HE1 HIS 2 HE1 HIS 2 12.906 -4.081 3.720 17 HE2 HIS 2 HE2 HIS 2 12.181 -1.681 4.047 18 H ALA 3 H ALA 3 8.017 -6.102 0.606 19 HA ALA 3 HA ALA 3 5.136 -6.040 0.119 20 1HB ALA 3 1HB ALA 3 6.191 -5.834 -2.080 21 2HB ALA 3 2HB ALA 3 5.363 -7.381 -1.905 22 3HB ALA 3 3HB ALA 3 7.119 -7.302 -1.770 23 H LYS 4 H LYS 4 4.094 -8.006 0.448 24 HA LYS 4 HA LYS 4 5.695 -10.198 1.536 25 1HB LYS 4 1HB LYS 4 4.866 -8.679 3.387 26 2HB LYS 4 2HB LYS 4 3.231 -9.121 2.920 27 1HG LYS 4 1HG LYS 4 3.880 -10.437 4.805 28 2HG LYS 4 2HG LYS 4 3.790 -11.492 3.391 29 1HD LYS 4 1HD LYS 4 6.224 -11.356 3.141 30 2HD LYS 4 2HD LYS 4 6.308 -10.304 4.555 31 1HE LYS 4 1HE LYS 4 5.396 -12.089 5.948 32 2HE LYS 4 2HE LYS 4 5.287 -13.142 4.536 33 1HZ LYS 4 1HZ LYS 4 7.260 -13.685 5.727 34 2HZ LYS 4 2HZ LYS 4 7.757 -12.066 5.785 35 3HZ LYS 4 3HZ LYS 4 7.734 -12.893 4.304 36 H VAL 5 H VAL 5 4.721 -12.216 1.304 37 HA VAL 5 HA VAL 5 2.663 -12.397 -0.712 38 HB VAL 5 HB VAL 5 4.477 -14.016 -0.769 39 1HG1 VAL 5 1HG1 VAL 5 4.833 -15.658 1.012 40 2HG1 VAL 5 2HG1 VAL 5 3.590 -14.867 1.982 41 3HG1 VAL 5 3HG1 VAL 5 5.079 -14.009 1.588 42 1HG2 VAL 5 1HG2 VAL 5 2.296 -14.817 -1.519 43 2HG2 VAL 5 2HG2 VAL 5 1.935 -15.374 0.116 44 3HG2 VAL 5 3HG2 VAL 5 3.243 -16.121 -0.803 45 H GLY 6 H GLY 6 0.580 -13.360 -0.361 46 1HA GLY 6 1HA GLY 6 -1.296 -13.900 0.967 47 2HA GLY 6 2HA GLY 6 -0.335 -13.578 2.410 48 H ASP 7 H ASP 7 -0.153 -11.412 -0.157 49 HA ASP 7 HA ASP 7 -2.045 -9.432 1.032 50 1HB ASP 7 1HB ASP 7 0.941 -9.167 0.646 51 2HB ASP 7 2HB ASP 7 -0.087 -7.762 0.413 52 H TYR 8 H TYR 8 -1.745 -7.447 -0.504 53 HA TYR 8 HA TYR 8 -2.017 -8.379 -3.287 54 1HB TYR 8 1HB TYR 8 -4.052 -6.807 -1.681 55 2HB TYR 8 2HB TYR 8 -4.110 -6.988 -3.425 56 HD1 TYR 8 HD1 TYR 8 -4.455 -8.813 -0.208 57 HD2 TYR 8 HD2 TYR 8 -4.997 -8.931 -4.426 58 HE1 TYR 8 HE1 TYR 8 -5.841 -10.844 0.018 59 HE2 TYR 8 HE2 TYR 8 -6.370 -10.957 -4.202 60 HH TYR 8 HH TYR 8 -6.578 -12.831 -2.564 61 H LEU 9 H LEU 9 -2.467 -6.320 -4.661 62 HA LEU 9 HA LEU 9 -0.665 -4.193 -3.728 63 1HB LEU 9 1HB LEU 9 0.629 -5.964 -4.887 64 2HB LEU 9 2HB LEU 9 -0.354 -5.724 -6.315 65 HG LEU 9 HG LEU 9 1.272 -3.459 -5.193 66 1HD1 LEU 9 1HD1 LEU 9 3.097 -4.112 -6.662 67 2HD1 LEU 9 2HD1 LEU 9 2.230 -5.582 -7.102 68 3HD1 LEU 9 3HD1 LEU 9 2.789 -5.351 -5.446 69 1HD2 LEU 9 1HD2 LEU 9 -0.381 -2.955 -6.931 70 2HD2 LEU 9 2HD2 LEU 9 0.350 -4.173 -7.978 71 3HD2 LEU 9 3HD2 LEU 9 1.265 -2.735 -7.526 72 H VAL 10 H VAL 10 -1.129 -2.225 -4.429 73 HA VAL 10 HA VAL 10 -2.858 -1.813 -6.765 74 HB VAL 10 HB VAL 10 -3.307 -0.543 -4.043 75 1HG1 VAL 10 1HG1 VAL 10 -3.643 1.111 -5.795 76 2HG1 VAL 10 2HG1 VAL 10 -5.183 0.648 -5.071 77 3HG1 VAL 10 3HG1 VAL 10 -4.721 0.005 -6.648 78 1HG2 VAL 10 1HG2 VAL 10 -5.517 -1.572 -4.171 79 2HG2 VAL 10 2HG2 VAL 10 -4.232 -2.779 -4.216 80 3HG2 VAL 10 3HG2 VAL 10 -5.073 -2.329 -5.699 81 H VAL 11 H VAL 11 -2.577 0.387 -7.661 82 HA VAL 11 HA VAL 11 -0.555 2.057 -6.337 83 HB VAL 11 HB VAL 11 0.473 2.709 -8.433 84 1HG1 VAL 11 1HG1 VAL 11 1.659 0.653 -9.012 85 2HG1 VAL 11 2HG1 VAL 11 0.442 -0.289 -8.150 86 3HG1 VAL 11 3HG1 VAL 11 1.475 0.833 -7.266 87 1HG2 VAL 11 1HG2 VAL 11 -0.030 1.596 -10.546 88 2HG2 VAL 11 2HG2 VAL 11 -1.443 2.434 -9.904 89 3HG2 VAL 11 3HG2 VAL 11 -1.317 0.681 -9.761 90 H LYS 12 H LYS 12 -0.718 4.356 -7.172 91 HA LYS 12 HA LYS 12 -3.420 4.945 -8.164 92 1HB LYS 12 1HB LYS 12 -2.135 6.431 -5.868 93 2HB LYS 12 2HB LYS 12 -3.729 6.717 -6.544 94 1HG LYS 12 1HG LYS 12 -4.471 5.444 -4.878 95 2HG LYS 12 2HG LYS 12 -3.867 4.079 -5.821 96 1HD LYS 12 1HD LYS 12 -3.041 3.941 -3.545 97 2HD LYS 12 2HD LYS 12 -1.700 4.266 -4.649 98 1HE LYS 12 1HE LYS 12 -1.875 6.670 -4.088 99 2HE LYS 12 2HE LYS 12 -3.142 6.282 -2.924 100 1HZ LYS 12 1HZ LYS 12 -1.037 6.500 -1.815 101 2HZ LYS 12 2HZ LYS 12 -0.320 5.355 -2.840 102 3HZ LYS 12 3HZ LYS 12 -1.531 4.880 -1.746 103 H GLY 13 H GLY 13 -3.650 7.046 -9.105 104 1HA GLY 13 1HA GLY 13 -1.176 8.108 -10.216 105 2HA GLY 13 2HA GLY 13 -2.811 8.561 -10.691 106 H THR 14 H THR 14 -0.848 10.490 -10.217 107 HA THR 14 HA THR 14 -0.959 11.411 -7.506 108 HB THR 14 HB THR 14 -0.050 12.974 -9.927 109 HG1 THR 14 HG1 THR 14 0.986 10.713 -8.792 110 1HG2 THR 14 1HG2 THR 14 0.741 13.104 -7.011 111 2HG2 THR 14 2HG2 THR 14 -0.259 14.279 -7.865 112 3HG2 THR 14 3HG2 THR 14 1.436 14.075 -8.307 113 H THR 15 H THR 15 -3.013 11.673 -10.201 114 HA THR 15 HA THR 15 -4.321 14.116 -9.422 115 HB THR 15 HB THR 15 -6.074 13.342 -11.073 116 HG1 THR 15 HG1 THR 15 -5.838 11.440 -12.056 117 1HG2 THR 15 1HG2 THR 15 -4.669 13.723 -13.038 118 2HG2 THR 15 2HG2 THR 15 -3.223 13.435 -12.070 119 3HG2 THR 15 3HG2 THR 15 -4.245 14.834 -11.735 120 H THR 16 H THR 16 -4.081 11.434 -7.791 121 HA THR 16 HA THR 16 -5.197 10.503 -6.074 122 HB THR 16 HB THR 16 -7.458 12.425 -6.655 123 HG1 THR 16 HG1 THR 16 -4.987 12.800 -5.639 124 1HG2 THR 16 1HG2 THR 16 -8.113 11.977 -4.334 125 2HG2 THR 16 2HG2 THR 16 -6.799 10.812 -4.183 126 3HG2 THR 16 3HG2 THR 16 -8.134 10.496 -5.291 127 H GLU 17 H GLU 17 -5.168 8.653 -7.321 128 HA GLU 17 HA GLU 17 -7.746 7.822 -8.455 129 1HB GLU 17 1HB GLU 17 -5.501 7.496 -9.692 130 2HB GLU 17 2HB GLU 17 -5.157 6.263 -8.489 131 1HG GLU 17 1HG GLU 17 -5.987 5.073 -10.289 132 2HG GLU 17 2HG GLU 17 -7.373 5.212 -9.209 133 H ARG 18 H ARG 18 -8.585 5.687 -7.682 134 HA ARG 18 HA ARG 18 -8.109 5.509 -4.815 135 1HB ARG 18 1HB ARG 18 -10.300 4.510 -6.594 136 2HB ARG 18 2HB ARG 18 -10.109 3.878 -4.962 137 1HG ARG 18 1HG ARG 18 -10.304 6.146 -4.066 138 2HG ARG 18 2HG ARG 18 -10.517 6.771 -5.703 139 1HD ARG 18 1HD ARG 18 -12.322 4.702 -4.469 140 2HD ARG 18 2HD ARG 18 -12.627 6.435 -4.372 141 HE ARG 18 HE ARG 18 -12.512 6.286 -6.938 142 1HH1 ARG 18 1HH1 ARG 18 -13.740 3.750 -4.851 143 2HH1 ARG 18 2HH1 ARG 18 -14.929 3.206 -5.998 144 1HH2 ARG 18 1HH2 ARG 18 -14.037 5.547 -8.458 145 2HH2 ARG 18 2HH2 ARG 18 -15.098 4.232 -8.052 146 H HIS 19 H HIS 19 -8.712 2.981 -7.286 147 HA HIS 19 HA HIS 19 -6.394 1.538 -6.250 148 1HB HIS 19 1HB HIS 19 -9.188 0.394 -6.251 149 2HB HIS 19 2HB HIS 19 -7.743 -0.603 -6.164 150 HD1 HIS 19 HD1 HIS 19 -6.107 0.902 -4.067 151 HD2 HIS 19 HD2 HIS 19 -10.202 0.269 -3.771 152 HE1 HIS 19 HE1 HIS 19 -6.631 1.016 -1.616 153 HE2 HIS 19 HE2 HIS 19 -9.070 0.395 -1.449 154 H ASP 20 H ASP 20 -5.386 1.843 -8.215 155 HA ASP 20 HA ASP 20 -6.552 0.267 -10.417 156 1HB ASP 20 1HB ASP 20 -4.988 2.832 -10.482 157 2HB ASP 20 2HB ASP 20 -4.963 1.740 -11.864 158 H GLN 21 H GLN 21 -4.966 -0.894 -11.744 159 HA GLN 21 HA GLN 21 -3.460 -2.599 -11.800 160 1HB GLN 21 1HB GLN 21 -1.850 -0.488 -10.381 161 2HB GLN 21 2HB GLN 21 -1.177 -2.071 -10.727 162 1HG GLN 21 1HG GLN 21 -0.491 -0.477 -12.403 163 2HG GLN 21 2HG GLN 21 -1.543 -1.694 -13.120 164 1HE2 GLN 21 1HE2 GLN 21 -1.218 1.643 -12.218 165 2HE2 GLN 21 2HE2 GLN 21 -2.613 2.213 -13.065 166 H HIS 22 H HIS 22 -4.360 -4.268 -10.631 167 HA HIS 22 HA HIS 22 -3.591 -4.409 -7.815 168 1HB HIS 22 1HB HIS 22 -5.804 -3.499 -7.692 169 2HB HIS 22 2HB HIS 22 -6.422 -4.726 -8.792 170 HD1 HIS 22 HD1 HIS 22 -5.002 -4.406 -5.303 171 HD2 HIS 22 HD2 HIS 22 -7.249 -7.034 -7.601 172 HE1 HIS 22 HE1 HIS 22 -5.800 -6.181 -3.710 173 HE2 HIS 22 HE2 HIS 22 -6.981 -7.853 -5.173 174 H ALA 23 H ALA 23 -2.913 -6.203 -7.201 175 HA ALA 23 HA ALA 23 -3.514 -8.710 -8.570 176 1HB ALA 23 1HB ALA 23 -1.182 -9.262 -8.731 177 2HB ALA 23 2HB ALA 23 -0.743 -7.691 -8.062 178 3HB ALA 23 3HB ALA 23 -1.538 -7.790 -9.634 179 H GLU 24 H GLU 24 -2.132 -10.441 -7.357 180 HA GLU 24 HA GLU 24 -2.380 -10.051 -4.435 181 1HB GLU 24 1HB GLU 24 -4.406 -11.205 -5.126 182 2HB GLU 24 2HB GLU 24 -3.482 -12.326 -6.111 183 1HG GLU 24 1HG GLU 24 -2.421 -13.174 -4.013 184 2HG GLU 24 2HG GLU 24 -3.537 -12.158 -3.103 185 H ILE 25 H ILE 25 -0.529 -10.458 -3.598 186 HA ILE 25 HA ILE 25 1.547 -11.547 -5.267 187 HB ILE 25 HB ILE 25 1.894 -10.574 -2.440 188 1HG1 ILE 25 1HG1 ILE 25 1.856 -8.866 -4.943 189 2HG1 ILE 25 2HG1 ILE 25 0.582 -8.894 -3.725 190 1HG2 ILE 25 1HG2 ILE 25 3.680 -10.602 -4.868 191 2HG2 ILE 25 2HG2 ILE 25 3.807 -11.650 -3.454 192 3HG2 ILE 25 3HG2 ILE 25 4.107 -9.917 -3.300 193 1HD1 ILE 25 1HD1 ILE 25 3.431 -8.031 -3.276 194 2HD1 ILE 25 2HD1 ILE 25 2.146 -8.045 -2.067 195 3HD1 ILE 25 3HD1 ILE 25 2.035 -6.968 -3.459 196 H ILE 26 H ILE 26 1.496 -13.682 -5.375 197 HA ILE 26 HA ILE 26 1.516 -15.179 -2.853 198 HB ILE 26 HB ILE 26 1.188 -17.195 -4.454 199 1HG1 ILE 26 1HG1 ILE 26 -0.378 -16.357 -6.382 200 2HG1 ILE 26 2HG1 ILE 26 0.535 -14.862 -6.223 201 1HG2 ILE 26 1HG2 ILE 26 -0.440 -16.457 -2.819 202 2HG2 ILE 26 2HG2 ILE 26 -1.242 -16.923 -4.319 203 3HG2 ILE 26 3HG2 ILE 26 -1.023 -15.217 -3.928 204 1HD1 ILE 26 1HD1 ILE 26 1.422 -16.261 -7.993 205 2HD1 ILE 26 2HD1 ILE 26 1.675 -17.577 -6.845 206 3HD1 ILE 26 3HD1 ILE 26 2.597 -16.082 -6.691 207 H GLU 27 H GLU 27 3.475 -13.968 -5.245 208 HA GLU 27 HA GLU 27 5.688 -15.571 -4.210 209 1HB GLU 27 1HB GLU 27 4.748 -16.099 -6.684 210 2HB GLU 27 2HB GLU 27 5.863 -14.795 -7.067 211 1HG GLU 27 1HG GLU 27 6.979 -16.905 -7.317 212 2HG GLU 27 2HG GLU 27 7.664 -16.043 -5.939 213 H VAL 28 H VAL 28 7.566 -14.384 -3.889 214 HA VAL 28 HA VAL 28 7.346 -11.508 -4.417 215 HB VAL 28 HB VAL 28 7.959 -12.628 -1.683 216 1HG1 VAL 28 1HG1 VAL 28 7.612 -9.777 -2.622 217 2HG1 VAL 28 2HG1 VAL 28 9.139 -10.543 -2.186 218 3HG1 VAL 28 3HG1 VAL 28 7.898 -10.289 -0.959 219 1HG2 VAL 28 1HG2 VAL 28 5.596 -12.899 -2.207 220 2HG2 VAL 28 2HG2 VAL 28 5.491 -11.195 -2.646 221 3HG2 VAL 28 3HG2 VAL 28 5.830 -11.656 -0.977 222 H ARG 29 H ARG 29 9.148 -11.449 -5.709 223 HA ARG 29 HA ARG 29 11.663 -12.464 -4.580 224 1HB ARG 29 1HB ARG 29 10.947 -13.160 -6.932 225 2HB ARG 29 2HB ARG 29 11.229 -11.489 -7.406 226 1HG ARG 29 1HG ARG 29 13.537 -12.267 -6.047 227 2HG ARG 29 2HG ARG 29 13.104 -13.641 -7.065 228 1HD ARG 29 1HD ARG 29 14.546 -12.225 -8.332 229 2HD ARG 29 2HD ARG 29 12.919 -12.060 -8.988 230 HE ARG 29 HE ARG 29 12.767 -9.927 -7.807 231 1HH1 ARG 29 1HH1 ARG 29 15.960 -11.330 -8.127 232 2HH1 ARG 29 2HH1 ARG 29 16.773 -9.793 -8.059 233 1HH2 ARG 29 1HH2 ARG 29 13.837 -7.912 -7.702 234 2HH2 ARG 29 2HH2 ARG 29 15.570 -7.860 -7.844 235 H SER 30 H SER 30 11.889 -10.729 -3.118 236 HA SER 30 HA SER 30 12.910 -8.305 -4.332 237 1HB SER 30 1HB SER 30 10.568 -8.231 -2.417 238 2HB SER 30 2HB SER 30 11.432 -6.826 -3.040 239 HG SER 30 HG SER 30 10.706 -8.296 -5.118 240 H ALA 31 H ALA 31 14.863 -8.351 -3.412 241 HA ALA 31 HA ALA 31 15.083 -8.570 -0.506 242 1HB ALA 31 1HB ALA 31 16.811 -9.640 -1.884 243 2HB ALA 31 2HB ALA 31 17.498 -8.354 -0.889 244 3HB ALA 31 3HB ALA 31 17.203 -8.078 -2.604 245 H ASP 32 H ASP 32 14.626 -6.329 -2.969 246 HA ASP 32 HA ASP 32 15.669 -4.034 -1.525 247 1HB ASP 32 1HB ASP 32 14.150 -4.152 -4.147 248 2HB ASP 32 2HB ASP 32 14.997 -2.752 -3.502 249 H GLY 33 H GLY 33 12.566 -5.398 -2.533 250 1HA GLY 33 1HA GLY 33 10.485 -4.944 -1.481 251 2HA GLY 33 2HA GLY 33 11.187 -3.479 -0.800 252 H SER 34 H SER 34 11.288 -4.625 -4.122 253 HA SER 34 HA SER 34 9.456 -2.594 -5.042 254 1HB SER 34 1HB SER 34 12.389 -2.542 -5.818 255 2HB SER 34 2HB SER 34 11.126 -1.565 -6.567 256 HG SER 34 HG SER 34 11.054 -1.307 -3.882 257 HA PRO 35 HA PRO 35 8.607 -5.389 -8.376 258 1HB PRO 35 1HB PRO 35 9.117 -3.861 -10.647 259 2HB PRO 35 2HB PRO 35 7.603 -3.864 -9.735 260 1HG PRO 35 1HG PRO 35 9.894 -1.948 -9.602 261 2HG PRO 35 2HG PRO 35 8.151 -1.626 -9.530 262 1HD PRO 35 1HD PRO 35 9.636 -1.604 -7.317 263 2HD PRO 35 2HD PRO 35 7.995 -2.285 -7.308 264 HA PRO 36 HA PRO 36 8.454 -6.210 -10.508 265 1HB PRO 36 1HB PRO 36 8.872 -8.646 -11.533 266 2HB PRO 36 2HB PRO 36 9.414 -7.187 -12.374 267 1HG PRO 36 1HG PRO 36 10.981 -9.126 -10.725 268 2HG PRO 36 2HG PRO 36 11.426 -8.323 -12.244 269 1HD PRO 36 1HD PRO 36 12.236 -7.505 -9.727 270 2HD PRO 36 2HD PRO 36 12.187 -6.463 -11.162 271 H TYR 37 H TYR 37 7.034 -8.215 -10.253 272 HA TYR 37 HA TYR 37 7.545 -9.713 -7.764 273 1HB TYR 37 1HB TYR 37 4.972 -8.245 -8.392 274 2HB TYR 37 2HB TYR 37 5.231 -9.319 -7.024 275 HD1 TYR 37 HD1 TYR 37 7.030 -8.636 -5.318 276 HD2 TYR 37 HD2 TYR 37 5.410 -5.963 -8.204 277 HE1 TYR 37 HE1 TYR 37 7.768 -6.725 -3.960 278 HE2 TYR 37 HE2 TYR 37 6.146 -4.045 -6.857 279 HH TYR 37 HH TYR 37 6.717 -3.550 -4.508 280 H VAL 38 H VAL 38 5.726 -11.431 -7.549 281 HA VAL 38 HA VAL 38 4.819 -12.274 -10.221 282 HB VAL 38 HB VAL 38 6.197 -14.140 -8.260 283 1HG1 VAL 38 1HG1 VAL 38 4.904 -14.703 -10.934 284 2HG1 VAL 38 2HG1 VAL 38 4.279 -15.194 -9.359 285 3HG1 VAL 38 3HG1 VAL 38 5.794 -15.869 -9.957 286 1HG2 VAL 38 1HG2 VAL 38 7.770 -12.775 -9.555 287 2HG2 VAL 38 2HG2 VAL 38 6.990 -13.298 -11.048 288 3HG2 VAL 38 3HG2 VAL 38 7.836 -14.470 -10.037 289 H VAL 39 H VAL 39 2.811 -13.062 -10.161 290 HA VAL 39 HA VAL 39 1.545 -12.508 -7.602 291 HB VAL 39 HB VAL 39 2.223 -10.569 -9.475 292 1HG1 VAL 39 1HG1 VAL 39 0.449 -11.209 -10.982 293 2HG1 VAL 39 2HG1 VAL 39 0.095 -9.634 -10.274 294 3HG1 VAL 39 3HG1 VAL 39 -0.742 -11.072 -9.689 295 1HG2 VAL 39 1HG2 VAL 39 1.951 -10.215 -7.122 296 2HG2 VAL 39 2HG2 VAL 39 0.208 -10.456 -7.252 297 3HG2 VAL 39 3HG2 VAL 39 0.966 -9.062 -8.022 298 H ARG 40 H ARG 40 -0.897 -12.296 -8.096 299 HA ARG 40 HA ARG 40 -1.703 -14.398 -9.950 300 1HB ARG 40 1HB ARG 40 -1.253 -15.367 -7.705 301 2HB ARG 40 2HB ARG 40 -2.384 -14.226 -7.002 302 1HG ARG 40 1HG ARG 40 -4.210 -15.263 -8.224 303 2HG ARG 40 2HG ARG 40 -3.075 -16.387 -8.979 304 1HD ARG 40 1HD ARG 40 -2.451 -17.218 -6.755 305 2HD ARG 40 2HD ARG 40 -3.631 -16.132 -6.027 306 HE ARG 40 HE ARG 40 -4.354 -18.317 -7.871 307 1HH1 ARG 40 1HH1 ARG 40 -4.922 -16.358 -5.014 308 2HH1 ARG 40 2HH1 ARG 40 -6.334 -17.260 -4.531 309 1HH2 ARG 40 1HH2 ARG 40 -6.200 -19.496 -7.238 310 2HH2 ARG 40 2HH2 ARG 40 -7.068 -19.050 -5.795 311 H TRP 41 H TRP 41 -3.293 -13.546 -11.143 312 HA TRP 41 HA TRP 41 -4.942 -11.402 -10.310 313 1HB TRP 41 1HB TRP 41 -5.432 -13.556 -12.393 314 2HB TRP 41 2HB TRP 41 -6.430 -12.121 -12.178 315 HD1 TRP 41 HD1 TRP 41 -4.252 -13.126 -14.643 316 HE1 TRP 41 HE1 TRP 41 -2.804 -11.243 -15.625 317 HE3 TRP 41 HE3 TRP 41 -4.672 -9.699 -10.868 318 HZ2 TRP 41 HZ2 TRP 41 -1.914 -8.678 -14.892 319 HZ3 TRP 41 HZ3 TRP 41 -3.477 -7.564 -11.086 320 HH2 TRP 41 HH2 TRP 41 -2.129 -7.063 -13.051 321 H LEU 42 H LEU 42 -6.222 -11.532 -8.641 322 HA LEU 42 HA LEU 42 -5.836 -13.779 -7.046 323 1HB LEU 42 1HB LEU 42 -7.755 -12.281 -5.762 324 2HB LEU 42 2HB LEU 42 -6.016 -12.099 -5.619 325 HG LEU 42 HG LEU 42 -7.154 -10.679 -7.928 326 1HD1 LEU 42 1HD1 LEU 42 -8.099 -8.873 -6.575 327 2HD1 LEU 42 2HD1 LEU 42 -7.876 -9.852 -5.125 328 3HD1 LEU 42 3HD1 LEU 42 -9.002 -10.376 -6.379 329 1HD2 LEU 42 1HD2 LEU 42 -4.869 -10.415 -7.243 330 2HD2 LEU 42 2HD2 LEU 42 -5.391 -9.856 -5.655 331 3HD2 LEU 42 3HD2 LEU 42 -5.752 -8.897 -7.091 332 H VAL 43 H VAL 43 -9.052 -12.419 -7.147 333 HA VAL 43 HA VAL 43 -10.214 -14.890 -6.552 334 HB VAL 43 HB VAL 43 -12.359 -13.437 -7.434 335 1HG1 VAL 43 1HG1 VAL 43 -12.662 -12.906 -5.076 336 2HG1 VAL 43 2HG1 VAL 43 -10.959 -13.248 -4.770 337 3HG1 VAL 43 3HG1 VAL 43 -12.044 -14.547 -5.261 338 1HG2 VAL 43 1HG2 VAL 43 -11.995 -11.143 -6.685 339 2HG2 VAL 43 2HG2 VAL 43 -10.909 -11.533 -8.019 340 3HG2 VAL 43 3HG2 VAL 43 -10.300 -11.504 -6.365 341 H ASN 44 H ASN 44 -9.541 -13.386 -9.591 342 HA ASN 44 HA ASN 44 -11.110 -15.021 -11.250 343 1HB ASN 44 1HB ASN 44 -8.519 -13.571 -11.695 344 2HB ASN 44 2HB ASN 44 -9.264 -14.543 -12.965 345 1HD2 ASN 44 1HD2 ASN 44 -9.688 -11.797 -10.849 346 2HD2 ASN 44 2HD2 ASN 44 -10.957 -11.042 -11.762 347 H GLY 45 H GLY 45 -7.664 -15.482 -10.362 348 1HA GLY 45 1HA GLY 45 -6.948 -17.642 -9.563 349 2HA GLY 45 2HA GLY 45 -8.164 -18.381 -10.588 350 H HIS 46 H HIS 46 -5.572 -16.008 -11.262 351 HA HIS 46 HA HIS 46 -4.179 -18.044 -12.854 352 1HB HIS 46 1HB HIS 46 -5.402 -15.579 -13.920 353 2HB HIS 46 2HB HIS 46 -3.732 -15.857 -14.407 354 HD1 HIS 46 HD1 HIS 46 -7.176 -17.379 -14.692 355 HD2 HIS 46 HD2 HIS 46 -3.343 -17.922 -16.217 356 HE1 HIS 46 HE1 HIS 46 -7.420 -19.025 -16.577 357 HE2 HIS 46 HE2 HIS 46 -5.066 -19.482 -17.348 358 H GLU 47 H GLU 47 -1.935 -17.126 -13.522 359 HA GLU 47 HA GLU 47 -0.909 -15.398 -11.379 360 1HB GLU 47 1HB GLU 47 0.235 -18.108 -12.082 361 2HB GLU 47 2HB GLU 47 1.008 -16.942 -11.023 362 1HG GLU 47 1HG GLU 47 0.036 -18.356 -9.510 363 2HG GLU 47 2HG GLU 47 -1.212 -17.124 -9.665 364 H THR 48 H THR 48 0.733 -14.129 -11.909 365 HA THR 48 HA THR 48 1.941 -14.296 -14.566 366 HB THR 48 HB THR 48 -0.069 -12.983 -14.874 367 HG1 THR 48 HG1 THR 48 0.942 -11.581 -16.119 368 1HG2 THR 48 1HG2 THR 48 -0.383 -12.116 -12.629 369 2HG2 THR 48 2HG2 THR 48 -0.356 -10.798 -13.800 370 3HG2 THR 48 3HG2 THR 48 1.063 -11.120 -12.802 371 H THR 49 H THR 49 3.355 -12.222 -14.783 372 HA THR 49 HA THR 49 4.752 -11.613 -12.267 373 HB THR 49 HB THR 49 6.173 -12.399 -14.829 374 HG1 THR 49 HG1 THR 49 5.211 -13.895 -12.774 375 1HG2 THR 49 1HG2 THR 49 7.256 -11.772 -12.075 376 2HG2 THR 49 2HG2 THR 49 7.393 -10.743 -13.500 377 3HG2 THR 49 3HG2 THR 49 8.210 -12.306 -13.460 378 H VAL 50 H VAL 50 4.876 -9.436 -12.109 379 HA VAL 50 HA VAL 50 4.494 -7.871 -14.571 380 HB VAL 50 HB VAL 50 2.590 -6.643 -13.504 381 1HG1 VAL 50 1HG1 VAL 50 2.137 -9.569 -14.088 382 2HG1 VAL 50 2HG1 VAL 50 2.228 -8.274 -15.281 383 3HG1 VAL 50 3HG1 VAL 50 0.908 -8.306 -14.112 384 1HG2 VAL 50 1HG2 VAL 50 2.605 -8.999 -11.616 385 2HG2 VAL 50 2HG2 VAL 50 1.328 -7.789 -11.735 386 3HG2 VAL 50 3HG2 VAL 50 2.940 -7.319 -11.196 387 H TYR 51 H TYR 51 4.043 -5.504 -13.886 388 HA TYR 51 HA TYR 51 5.733 -4.614 -11.664 389 1HB TYR 51 1HB TYR 51 5.851 -3.174 -14.301 390 2HB TYR 51 2HB TYR 51 7.004 -3.138 -12.977 391 HD1 TYR 51 HD1 TYR 51 5.885 -4.957 -15.952 392 HD2 TYR 51 HD2 TYR 51 8.761 -4.814 -12.821 393 HE1 TYR 51 HE1 TYR 51 7.299 -6.542 -17.189 394 HE2 TYR 51 HE2 TYR 51 10.182 -6.403 -14.049 395 HH TYR 51 HH TYR 51 9.672 -7.165 -17.323 396 HA PRO 52 HA PRO 52 1.793 -2.486 -11.264 397 1HB PRO 52 1HB PRO 52 2.507 -0.977 -9.085 398 2HB PRO 52 2HB PRO 52 1.975 -2.659 -9.000 399 1HG PRO 52 1HG PRO 52 4.749 -1.540 -8.933 400 2HG PRO 52 2HG PRO 52 4.054 -2.872 -7.993 401 1HD PRO 52 1HD PRO 52 5.649 -3.287 -10.126 402 2HD PRO 52 2HD PRO 52 4.320 -4.387 -9.708 403 H GLY 53 H GLY 53 4.478 -0.294 -10.370 404 1HA GLY 53 1HA GLY 53 4.925 1.383 -12.273 405 2HA GLY 53 2HA GLY 53 3.216 1.740 -12.072 406 H SER 54 H SER 54 3.489 3.845 -11.432 407 HA SER 54 HA SER 54 5.289 4.533 -9.287 408 1HB SER 54 1HB SER 54 3.197 6.224 -10.679 409 2HB SER 54 2HB SER 54 4.503 6.818 -9.653 410 HG SER 54 HG SER 54 5.949 5.762 -11.215 411 H ASP 55 H ASP 55 4.682 5.514 -7.329 412 HA ASP 55 HA ASP 55 3.784 5.220 -5.272 413 1HB ASP 55 1HB ASP 55 2.237 6.929 -6.493 414 2HB ASP 55 2HB ASP 55 1.057 5.619 -6.448 415 H ALA 56 H ALA 56 4.409 2.939 -5.717 416 HA ALA 56 HA ALA 56 2.272 1.053 -6.076 417 1HB ALA 56 1HB ALA 56 5.150 0.570 -5.282 418 2HB ALA 56 2HB ALA 56 4.519 0.557 -6.928 419 3HB ALA 56 3HB ALA 56 3.985 -0.662 -5.769 420 H VAL 57 H VAL 57 1.189 -0.043 -4.552 421 HA VAL 57 HA VAL 57 1.883 0.300 -1.710 422 HB VAL 57 HB VAL 57 -0.971 0.597 -2.580 423 1HG1 VAL 57 1HG1 VAL 57 -0.558 0.264 -0.230 424 2HG1 VAL 57 2HG1 VAL 57 -1.135 1.910 -0.499 425 3HG1 VAL 57 3HG1 VAL 57 0.579 1.613 -0.204 426 1HG2 VAL 57 1HG2 VAL 57 -0.778 3.031 -2.620 427 2HG2 VAL 57 2HG2 VAL 57 0.196 2.288 -3.890 428 3HG2 VAL 57 3HG2 VAL 57 0.971 2.898 -2.428 429 H VAL 58 H VAL 58 0.107 -1.017 -0.483 430 HA VAL 58 HA VAL 58 -0.400 -3.536 -1.855 431 HB VAL 58 HB VAL 58 0.239 -4.402 0.566 432 1HG1 VAL 58 1HG1 VAL 58 1.206 -5.229 -1.515 433 2HG1 VAL 58 2HG1 VAL 58 2.460 -5.003 -0.296 434 3HG1 VAL 58 3HG1 VAL 58 2.259 -3.817 -1.587 435 1HG2 VAL 58 1HG2 VAL 58 2.234 -3.272 1.426 436 2HG2 VAL 58 2HG2 VAL 58 0.803 -2.244 1.486 437 3HG2 VAL 58 3HG2 VAL 58 2.008 -2.005 0.221 438 H VAL 59 H VAL 59 -2.055 -4.804 -0.835 439 HA VAL 59 HA VAL 59 -3.864 -3.329 0.924 440 HB VAL 59 HB VAL 59 -5.574 -4.503 -0.801 441 1HG1 VAL 59 1HG1 VAL 59 -5.992 -2.269 -1.707 442 2HG1 VAL 59 2HG1 VAL 59 -4.458 -1.724 -1.025 443 3HG1 VAL 59 3HG1 VAL 59 -5.767 -2.240 0.042 444 1HG2 VAL 59 1HG2 VAL 59 -4.898 -3.945 -3.077 445 2HG2 VAL 59 2HG2 VAL 59 -3.848 -5.161 -2.350 446 3HG2 VAL 59 3HG2 VAL 59 -3.305 -3.488 -2.477 447 H THR 60 H THR 60 -5.870 -4.815 1.186 448 HA THR 60 HA THR 60 -4.884 -7.504 1.930 449 HB THR 60 HB THR 60 -6.637 -7.244 3.798 450 HG1 THR 60 HG1 THR 60 -7.744 -5.463 3.862 451 1HG2 THR 60 1HG2 THR 60 -4.305 -5.327 3.808 452 2HG2 THR 60 2HG2 THR 60 -4.214 -7.047 4.191 453 3HG2 THR 60 3HG2 THR 60 -5.139 -5.962 5.228 454 H ALA 61 H ALA 61 -7.305 -8.548 2.785 455 HA ALA 61 HA ALA 61 -8.345 -9.637 0.487 456 1HB ALA 61 1HB ALA 61 -10.011 -10.651 1.898 457 2HB ALA 61 2HB ALA 61 -9.684 -9.476 3.172 458 3HB ALA 61 3HB ALA 61 -8.445 -10.645 2.712 459 H THR 62 H THR 62 -9.848 -6.969 2.425 460 HA THR 62 HA THR 62 -12.296 -7.060 1.077 461 HB THR 62 HB THR 62 -12.250 -4.510 1.623 462 HG1 THR 62 HG1 THR 62 -10.567 -3.861 2.698 463 1HG2 THR 62 1HG2 THR 62 -13.717 -6.109 2.672 464 2HG2 THR 62 2HG2 THR 62 -13.039 -5.028 3.890 465 3HG2 THR 62 3HG2 THR 62 -12.404 -6.663 3.710 466 H GLU 63 H GLU 63 -9.613 -4.811 0.575 467 HA GLU 63 HA GLU 63 -10.692 -3.467 -1.620 468 1HB GLU 63 1HB GLU 63 -7.747 -3.923 -1.116 469 2HB GLU 63 2HB GLU 63 -8.486 -2.580 -1.976 470 1HG GLU 63 1HG GLU 63 -8.668 -3.158 0.968 471 2HG GLU 63 2HG GLU 63 -7.782 -1.847 0.194 472 H HIS 64 H HIS 64 -9.328 -6.578 -1.395 473 HA HIS 64 HA HIS 64 -8.160 -6.899 -3.887 474 1HB HIS 64 1HB HIS 64 -7.663 -8.905 -3.090 475 2HB HIS 64 2HB HIS 64 -8.498 -8.430 -1.632 476 HD1 HIS 64 HD1 HIS 64 -11.186 -9.172 -1.646 477 HD2 HIS 64 HD2 HIS 64 -8.559 -11.267 -4.080 478 HE1 HIS 64 HE1 HIS 64 -12.316 -11.355 -2.132 479 HE2 HIS 64 HE2 HIS 64 -10.590 -12.697 -3.366 480 H ALA 65 H ALA 65 -11.539 -7.362 -2.953 481 HA ALA 65 HA ALA 65 -12.440 -8.670 -5.254 482 1HB ALA 65 1HB ALA 65 -13.690 -8.496 -3.156 483 2HB ALA 65 2HB ALA 65 -14.658 -7.988 -4.539 484 3HB ALA 65 3HB ALA 65 -13.957 -6.778 -3.464 485 H GLU 66 H GLU 66 -13.117 -5.305 -4.473 486 HA GLU 66 HA GLU 66 -14.139 -4.577 -6.951 487 1HB GLU 66 1HB GLU 66 -13.442 -2.196 -6.029 488 2HB GLU 66 2HB GLU 66 -14.750 -3.116 -5.295 489 1HG GLU 66 1HG GLU 66 -13.708 -3.032 -3.334 490 2HG GLU 66 2HG GLU 66 -12.343 -3.910 -4.021 491 H ALA 67 H ALA 67 -10.960 -3.790 -5.598 492 HA ALA 67 HA ALA 67 -9.822 -2.667 -7.861 493 1HB ALA 67 1HB ALA 67 -7.680 -3.065 -6.807 494 2HB ALA 67 2HB ALA 67 -8.418 -4.221 -5.696 495 3HB ALA 67 3HB ALA 67 -8.860 -2.516 -5.617 496 H GLU 68 H GLU 68 -10.290 -6.070 -7.068 497 HA GLU 68 HA GLU 68 -8.478 -7.207 -8.871 498 1HB GLU 68 1HB GLU 68 -9.666 -8.687 -7.402 499 2HB GLU 68 2HB GLU 68 -11.223 -8.135 -8.003 500 1HG GLU 68 1HG GLU 68 -10.952 -10.208 -8.993 501 2HG GLU 68 2HG GLU 68 -10.479 -9.076 -10.256 502 H LYS 69 H LYS 69 -11.931 -6.494 -9.337 503 HA LYS 69 HA LYS 69 -11.933 -7.100 -12.077 504 1HB LYS 69 1HB LYS 69 -13.657 -5.137 -10.566 505 2HB LYS 69 2HB LYS 69 -13.956 -5.630 -12.226 506 1HG LYS 69 1HG LYS 69 -14.140 -7.976 -11.432 507 2HG LYS 69 2HG LYS 69 -14.007 -7.375 -9.777 508 1HD LYS 69 1HD LYS 69 -16.011 -6.024 -10.095 509 2HD LYS 69 2HD LYS 69 -16.137 -6.584 -11.765 510 1HE LYS 69 1HE LYS 69 -16.423 -8.877 -10.971 511 2HE LYS 69 2HE LYS 69 -16.283 -8.321 -9.302 512 1HZ LYS 69 1HZ LYS 69 -18.268 -6.982 -9.623 513 2HZ LYS 69 2HZ LYS 69 -18.586 -8.616 -9.940 514 3HZ LYS 69 3HZ LYS 69 -18.409 -7.527 -11.221 515 H ARG 70 H ARG 70 -12.089 -3.773 -10.789 516 HA ARG 70 HA ARG 70 -11.533 -2.604 -13.284 517 1HB ARG 70 1HB ARG 70 -11.013 -0.525 -11.928 518 2HB ARG 70 2HB ARG 70 -12.603 -1.235 -11.708 519 1HG ARG 70 1HG ARG 70 -11.875 -2.250 -9.614 520 2HG ARG 70 2HG ARG 70 -10.263 -1.565 -9.838 521 1HD ARG 70 1HD ARG 70 -11.160 0.677 -9.723 522 2HD ARG 70 2HD ARG 70 -12.804 0.050 -9.633 523 HE ARG 70 HE ARG 70 -11.398 -1.043 -7.497 524 1HH1 ARG 70 1HH1 ARG 70 -12.302 2.152 -8.601 525 2HH1 ARG 70 2HH1 ARG 70 -12.474 2.790 -6.995 526 1HH2 ARG 70 1HH2 ARG 70 -11.592 -0.209 -5.387 527 2HH2 ARG 70 2HH2 ARG 70 -12.081 1.454 -5.163 528 H ALA 71 H ALA 71 -9.355 -2.694 -10.493 529 HA ALA 71 HA ALA 71 -7.217 -1.516 -11.802 530 1HB ALA 71 1HB ALA 71 -7.116 -3.274 -9.377 531 2HB ALA 71 2HB ALA 71 -7.506 -1.552 -9.388 532 3HB ALA 71 3HB ALA 71 -5.904 -2.100 -9.885 533 H ALA 72 H ALA 72 -7.755 -5.066 -11.225 534 HA ALA 72 HA ALA 72 -5.289 -5.841 -12.332 535 1HB ALA 72 1HB ALA 72 -7.829 -7.447 -12.504 536 2HB ALA 72 2HB ALA 72 -6.741 -7.408 -11.116 537 3HB ALA 72 3HB ALA 72 -6.177 -8.046 -12.661 538 H ALA 73 H ALA 73 -8.452 -5.381 -13.914 539 HA ALA 73 HA ALA 73 -7.690 -6.118 -16.500 540 1HB ALA 73 1HB ALA 73 -10.010 -5.689 -15.823 541 2HB ALA 73 2HB ALA 73 -9.570 -4.800 -17.283 542 3HB ALA 73 3HB ALA 73 -9.655 -3.963 -15.733 543 H ARG 74 H ARG 74 -7.052 -3.195 -14.715 544 HA ARG 74 HA ARG 74 -6.155 -1.718 -17.034 545 1HB ARG 74 1HB ARG 74 -7.185 -0.747 -14.906 546 2HB ARG 74 2HB ARG 74 -5.627 -1.036 -14.146 547 1HG ARG 74 1HG ARG 74 -5.587 1.206 -14.788 548 2HG ARG 74 2HG ARG 74 -4.627 0.369 -16.009 549 1HD ARG 74 1HD ARG 74 -6.118 1.999 -17.036 550 2HD ARG 74 2HD ARG 74 -6.552 0.359 -17.518 551 HE ARG 74 HE ARG 74 -8.505 0.514 -16.234 552 1HH1 ARG 74 1HH1 ARG 74 -6.600 3.448 -16.077 553 2HH1 ARG 74 2HH1 ARG 74 -7.879 4.391 -15.366 554 1HH2 ARG 74 1HH2 ARG 74 -10.188 1.735 -15.317 555 2HH2 ARG 74 2HH2 ARG 74 -9.925 3.412 -14.937 556 H ALA 75 H ALA 75 -4.608 -3.209 -14.213 557 HA ALA 75 HA ALA 75 -1.957 -2.459 -14.605 558 1HB ALA 75 1HB ALA 75 -2.809 -3.512 -12.564 559 2HB ALA 75 2HB ALA 75 -1.378 -4.338 -13.179 560 3HB ALA 75 3HB ALA 75 -2.977 -5.043 -13.424 561 H GLY 76 H GLY 76 -3.332 -5.661 -15.394 562 1HA GLY 76 1HA GLY 76 -1.030 -5.978 -17.224 563 2HA GLY 76 2HA GLY 76 -1.752 -7.307 -16.330 564 H HIS 77 H HIS 77 -2.865 -4.719 -18.499 565 HA HIS 77 HA HIS 77 -4.782 -6.507 -19.715 566 1HB HIS 77 1HB HIS 77 -5.531 -4.588 -20.989 567 2HB HIS 77 2HB HIS 77 -5.355 -4.137 -19.301 568 HD1 HIS 77 HD1 HIS 77 -3.541 -2.364 -18.725 569 HD2 HIS 77 HD2 HIS 77 -3.794 -3.312 -22.773 570 HE1 HIS 77 HE1 HIS 77 -2.192 -0.609 -19.924 571 HE2 HIS 77 HE2 HIS 77 -2.518 -1.095 -22.378 572 H ALA 78 H ALA 78 -1.607 -5.313 -20.373 573 HA ALA 78 HA ALA 78 -1.517 -6.973 -22.773 574 1HB ALA 78 1HB ALA 78 -1.963 -4.696 -23.566 575 2HB ALA 78 2HB ALA 78 -0.366 -5.259 -24.058 576 3HB ALA 78 3HB ALA 78 -0.528 -4.126 -22.716 577 H ALA 79 H ALA 79 -0.130 -8.452 -22.040 578 HA ALA 79 HA ALA 79 2.570 -7.531 -21.404 579 1HB ALA 79 1HB ALA 79 1.094 -9.541 -19.704 580 2HB ALA 79 2HB ALA 79 1.503 -7.892 -19.230 581 3HB ALA 79 3HB ALA 79 2.784 -9.067 -19.523 582 H THR 80 H THR 80 2.949 -8.222 -23.556 583 HA THR 80 HA THR 80 3.624 -11.021 -23.739 584 HB THR 80 HB THR 80 2.422 -10.763 -26.186 585 HG1 THR 80 HG1 THR 80 0.195 -10.085 -24.851 586 1HG2 THR 80 1HG2 THR 80 0.716 -12.300 -25.326 587 2HG2 THR 80 2HG2 THR 80 1.189 -11.899 -23.674 588 3HG2 THR 80 3HG2 THR 80 2.323 -12.728 -24.739 Start of MODEL 15 1 H MET 1 H MET 1 10.107 1.125 1.799 2 HA MET 1 HA MET 1 7.708 1.141 1.608 3 1HB MET 1 1HB MET 1 6.685 0.324 -0.488 4 2HB MET 1 2HB MET 1 7.511 1.858 -0.713 5 1HG MET 1 1HG MET 1 9.353 0.786 -1.788 6 2HG MET 1 2HG MET 1 8.712 -0.809 -1.404 7 1HE MET 1 1HE MET 1 5.606 -1.095 -3.704 8 2HE MET 1 2HE MET 1 5.698 -0.669 -1.994 9 3HE MET 1 3HE MET 1 6.715 -1.956 -2.638 10 H HIS 2 H HIS 2 6.444 -0.983 1.424 11 HA HIS 2 HA HIS 2 8.221 -3.319 1.544 12 1HB HIS 2 1HB HIS 2 6.329 -2.447 3.735 13 2HB HIS 2 2HB HIS 2 6.945 -4.090 3.605 14 HD1 HIS 2 HD1 HIS 2 7.504 -1.361 5.604 15 HD2 HIS 2 HD2 HIS 2 10.072 -3.684 3.296 16 HE1 HIS 2 HE1 HIS 2 9.798 -1.036 6.596 17 HE2 HIS 2 HE2 HIS 2 11.350 -2.360 5.113 18 H ALA 3 H ALA 3 7.407 -4.876 0.325 19 HA ALA 3 HA ALA 3 4.510 -5.308 0.293 20 1HB ALA 3 1HB ALA 3 4.518 -5.657 -2.127 21 2HB ALA 3 2HB ALA 3 6.220 -5.207 -2.193 22 3HB ALA 3 3HB ALA 3 5.010 -4.012 -1.724 23 H LYS 4 H LYS 4 4.101 -7.384 0.787 24 HA LYS 4 HA LYS 4 6.098 -9.414 0.123 25 1HB LYS 4 1HB LYS 4 5.136 -8.777 2.905 26 2HB LYS 4 2HB LYS 4 5.879 -10.316 2.481 27 1HG LYS 4 1HG LYS 4 7.910 -9.187 1.803 28 2HG LYS 4 2HG LYS 4 7.169 -7.618 2.121 29 1HD LYS 4 1HD LYS 4 7.010 -8.133 4.481 30 2HD LYS 4 2HD LYS 4 7.636 -9.760 4.193 31 1HE LYS 4 1HE LYS 4 9.754 -8.858 3.463 32 2HE LYS 4 2HE LYS 4 9.135 -7.213 3.594 33 1HZ LYS 4 1HZ LYS 4 9.425 -9.098 5.869 34 2HZ LYS 4 2HZ LYS 4 8.944 -7.476 5.960 35 3HZ LYS 4 3HZ LYS 4 10.523 -7.865 5.486 36 H VAL 5 H VAL 5 5.269 -11.599 1.041 37 HA VAL 5 HA VAL 5 2.990 -12.181 -0.554 38 HB VAL 5 HB VAL 5 4.876 -13.735 -0.368 39 1HG1 VAL 5 1HG1 VAL 5 5.521 -13.344 1.924 40 2HG1 VAL 5 2HG1 VAL 5 5.226 -15.063 1.670 41 3HG1 VAL 5 3HG1 VAL 5 4.024 -14.077 2.501 42 1HG2 VAL 5 1HG2 VAL 5 2.704 -14.664 -0.971 43 2HG2 VAL 5 2HG2 VAL 5 2.339 -14.942 0.732 44 3HG2 VAL 5 3HG2 VAL 5 3.655 -15.825 -0.046 45 H GLY 6 H GLY 6 1.043 -13.329 0.181 46 1HA GLY 6 1HA GLY 6 -0.720 -13.743 1.651 47 2HA GLY 6 2HA GLY 6 0.284 -13.160 2.977 48 H ASP 7 H ASP 7 0.250 -11.221 0.272 49 HA ASP 7 HA ASP 7 -1.745 -9.285 1.350 50 1HB ASP 7 1HB ASP 7 1.218 -9.005 1.351 51 2HB ASP 7 2HB ASP 7 0.352 -7.662 0.613 52 H TYR 8 H TYR 8 -1.456 -7.342 -0.234 53 HA TYR 8 HA TYR 8 -1.510 -8.412 -2.968 54 1HB TYR 8 1HB TYR 8 -3.696 -6.767 -1.676 55 2HB TYR 8 2HB TYR 8 -3.645 -7.266 -3.359 56 HD1 TYR 8 HD1 TYR 8 -5.044 -7.959 -0.254 57 HD2 TYR 8 HD2 TYR 8 -3.465 -9.928 -3.665 58 HE1 TYR 8 HE1 TYR 8 -6.398 -9.945 0.266 59 HE2 TYR 8 HE2 TYR 8 -4.817 -11.923 -3.149 60 HH TYR 8 HH TYR 8 -5.855 -12.918 -0.949 61 H LEU 9 H LEU 9 -2.084 -6.424 -4.406 62 HA LEU 9 HA LEU 9 -0.210 -4.310 -3.628 63 1HB LEU 9 1HB LEU 9 1.178 -5.954 -4.647 64 2HB LEU 9 2HB LEU 9 0.024 -6.242 -5.928 65 HG LEU 9 HG LEU 9 1.262 -3.532 -5.756 66 1HD1 LEU 9 1HD1 LEU 9 3.157 -5.033 -5.449 67 2HD1 LEU 9 2HD1 LEU 9 3.184 -4.308 -7.057 68 3HD1 LEU 9 3HD1 LEU 9 2.647 -5.975 -6.850 69 1HD2 LEU 9 1HD2 LEU 9 1.102 -3.689 -8.188 70 2HD2 LEU 9 2HD2 LEU 9 -0.458 -4.033 -7.440 71 3HD2 LEU 9 3HD2 LEU 9 0.535 -5.354 -8.055 72 H VAL 10 H VAL 10 -0.188 -2.524 -5.020 73 HA VAL 10 HA VAL 10 -2.695 -2.032 -6.459 74 HB VAL 10 HB VAL 10 -1.596 -0.244 -4.281 75 1HG1 VAL 10 1HG1 VAL 10 -4.187 -0.160 -5.800 76 2HG1 VAL 10 2HG1 VAL 10 -2.817 0.932 -5.997 77 3HG1 VAL 10 3HG1 VAL 10 -3.725 0.922 -4.487 78 1HG2 VAL 10 1HG2 VAL 10 -2.425 -2.263 -3.246 79 2HG2 VAL 10 2HG2 VAL 10 -3.942 -2.126 -4.137 80 3HG2 VAL 10 3HG2 VAL 10 -3.520 -0.920 -2.919 81 H VAL 11 H VAL 11 -2.542 -0.264 -7.918 82 HA VAL 11 HA VAL 11 0.102 1.003 -8.120 83 HB VAL 11 HB VAL 11 -0.321 -0.723 -9.933 84 1HG1 VAL 11 1HG1 VAL 11 -2.327 1.317 -10.871 85 2HG1 VAL 11 2HG1 VAL 11 -2.690 -0.304 -10.273 86 3HG1 VAL 11 3HG1 VAL 11 -1.788 -0.099 -11.777 87 1HG2 VAL 11 1HG2 VAL 11 0.122 2.128 -10.797 88 2HG2 VAL 11 2HG2 VAL 11 0.536 0.696 -11.737 89 3HG2 VAL 11 3HG2 VAL 11 1.352 1.010 -10.206 90 H LYS 12 H LYS 12 -0.031 3.133 -9.286 91 HA LYS 12 HA LYS 12 -2.189 4.694 -8.304 92 1HB LYS 12 1HB LYS 12 -1.118 6.550 -9.545 93 2HB LYS 12 2HB LYS 12 0.016 5.680 -8.527 94 1HG LYS 12 1HG LYS 12 0.809 4.455 -10.526 95 2HG LYS 12 2HG LYS 12 -0.268 5.441 -11.516 96 1HD LYS 12 1HD LYS 12 0.907 7.463 -10.601 97 2HD LYS 12 2HD LYS 12 2.078 6.365 -9.868 98 1HE LYS 12 1HE LYS 12 2.993 7.128 -11.933 99 2HE LYS 12 2HE LYS 12 2.521 5.442 -12.148 100 1HZ LYS 12 1HZ LYS 12 0.509 6.171 -13.259 101 2HZ LYS 12 2HZ LYS 12 1.869 6.822 -14.036 102 3HZ LYS 12 3HZ LYS 12 0.927 7.798 -13.016 103 H GLY 13 H GLY 13 -4.181 4.605 -9.126 104 1HA GLY 13 1HA GLY 13 -4.863 3.625 -11.674 105 2HA GLY 13 2HA GLY 13 -5.910 4.605 -10.651 106 H THR 14 H THR 14 -4.813 6.957 -10.497 107 HA THR 14 HA THR 14 -3.898 7.800 -13.155 108 HB THR 14 HB THR 14 -6.233 8.492 -12.992 109 HG1 THR 14 HG1 THR 14 -4.454 9.992 -13.781 110 1HG2 THR 14 1HG2 THR 14 -6.990 10.052 -11.252 111 2HG2 THR 14 2HG2 THR 14 -5.425 9.912 -10.451 112 3HG2 THR 14 3HG2 THR 14 -6.486 8.507 -10.568 113 H THR 15 H THR 15 -3.877 8.060 -9.725 114 HA THR 15 HA THR 15 -1.189 9.088 -9.725 115 HB THR 15 HB THR 15 -3.275 10.603 -8.123 116 HG1 THR 15 HG1 THR 15 -2.680 10.833 -10.770 117 1HG2 THR 15 1HG2 THR 15 -1.482 12.280 -7.905 118 2HG2 THR 15 2HG2 THR 15 -0.401 11.229 -8.820 119 3HG2 THR 15 3HG2 THR 15 -1.002 10.719 -7.242 120 H THR 16 H THR 16 -0.435 9.062 -7.286 121 HA THR 16 HA THR 16 -1.129 6.649 -6.035 122 HB THR 16 HB THR 16 -0.045 9.069 -4.577 123 HG1 THR 16 HG1 THR 16 1.001 7.970 -6.725 124 1HG2 THR 16 1HG2 THR 16 1.130 7.376 -3.242 125 2HG2 THR 16 2HG2 THR 16 0.379 6.101 -4.202 126 3HG2 THR 16 3HG2 THR 16 -0.618 7.139 -3.180 127 H GLU 17 H GLU 17 -2.505 9.818 -5.906 128 HA GLU 17 HA GLU 17 -4.254 9.536 -3.723 129 1HB GLU 17 1HB GLU 17 -4.676 11.082 -6.295 130 2HB GLU 17 2HB GLU 17 -5.512 11.349 -4.771 131 1HG GLU 17 1HG GLU 17 -3.528 12.134 -3.725 132 2HG GLU 17 2HG GLU 17 -2.539 11.633 -5.095 133 H ARG 18 H ARG 18 -5.767 8.073 -3.482 134 HA ARG 18 HA ARG 18 -7.376 6.539 -3.844 135 1HB ARG 18 1HB ARG 18 -8.600 8.148 -5.190 136 2HB ARG 18 2HB ARG 18 -7.604 7.776 -6.593 137 1HG ARG 18 1HG ARG 18 -8.535 5.609 -6.796 138 2HG ARG 18 2HG ARG 18 -9.310 5.720 -5.215 139 1HD ARG 18 1HD ARG 18 -9.983 7.401 -7.628 140 2HD ARG 18 2HD ARG 18 -10.913 6.021 -7.045 141 HE ARG 18 HE ARG 18 -10.781 8.682 -5.866 142 1HH1 ARG 18 1HH1 ARG 18 -11.811 5.351 -5.530 143 2HH1 ARG 18 2HH1 ARG 18 -12.982 5.700 -4.292 144 1HH2 ARG 18 1HH2 ARG 18 -12.317 9.146 -4.257 145 2HH2 ARG 18 2HH2 ARG 18 -13.275 7.865 -3.576 146 H HIS 19 H HIS 19 -6.337 4.720 -3.655 147 HA HIS 19 HA HIS 19 -4.474 3.854 -5.704 148 1HB HIS 19 1HB HIS 19 -3.999 1.989 -4.064 149 2HB HIS 19 2HB HIS 19 -3.642 3.611 -3.495 150 HD1 HIS 19 HD1 HIS 19 -4.678 4.305 -1.330 151 HD2 HIS 19 HD2 HIS 19 -6.425 0.864 -2.886 152 HE1 HIS 19 HE1 HIS 19 -6.204 3.435 0.477 153 HE2 HIS 19 HE2 HIS 19 -7.211 1.316 -0.462 154 H ASP 20 H ASP 20 -4.876 2.368 -7.219 155 HA ASP 20 HA ASP 20 -7.332 0.764 -6.991 156 1HB ASP 20 1HB ASP 20 -7.578 2.948 -8.347 157 2HB ASP 20 2HB ASP 20 -6.563 2.164 -9.550 158 H GLN 21 H GLN 21 -7.377 -0.865 -8.921 159 HA GLN 21 HA GLN 21 -6.469 -2.707 -9.905 160 1HB GLN 21 1HB GLN 21 -4.124 -0.837 -10.103 161 2HB GLN 21 2HB GLN 21 -3.982 -2.509 -10.617 162 1HG GLN 21 1HG GLN 21 -4.435 -1.049 -12.492 163 2HG GLN 21 2HG GLN 21 -5.762 -2.179 -12.237 164 1HE2 GLN 21 1HE2 GLN 21 -7.736 -1.416 -11.575 165 2HE2 GLN 21 2HE2 GLN 21 -8.145 0.264 -11.560 166 H HIS 22 H HIS 22 -6.447 -4.365 -8.480 167 HA HIS 22 HA HIS 22 -4.145 -4.522 -6.643 168 1HB HIS 22 1HB HIS 22 -6.997 -5.275 -5.968 169 2HB HIS 22 2HB HIS 22 -5.608 -5.526 -4.924 170 HD1 HIS 22 HD1 HIS 22 -5.282 -2.258 -6.447 171 HD2 HIS 22 HD2 HIS 22 -7.397 -3.845 -3.249 172 HE1 HIS 22 HE1 HIS 22 -6.045 -0.285 -5.093 173 HE2 HIS 22 HE2 HIS 22 -7.540 -1.261 -3.323 174 H ALA 23 H ALA 23 -3.298 -6.537 -6.266 175 HA ALA 23 HA ALA 23 -4.618 -9.019 -7.127 176 1HB ALA 23 1HB ALA 23 -2.852 -9.726 -8.606 177 2HB ALA 23 2HB ALA 23 -2.021 -8.183 -8.410 178 3HB ALA 23 3HB ALA 23 -3.586 -8.245 -9.219 179 H GLU 24 H GLU 24 -2.903 -10.848 -6.739 180 HA GLU 24 HA GLU 24 -2.062 -10.294 -3.982 181 1HB GLU 24 1HB GLU 24 -3.592 -12.156 -4.175 182 2HB GLU 24 2HB GLU 24 -2.551 -12.940 -5.360 183 1HG GLU 24 1HG GLU 24 -0.832 -13.278 -3.709 184 2HG GLU 24 2HG GLU 24 -1.735 -12.347 -2.521 185 H ILE 25 H ILE 25 -0.094 -10.243 -3.326 186 HA ILE 25 HA ILE 25 2.078 -11.109 -5.057 187 HB ILE 25 HB ILE 25 2.244 -9.885 -2.295 188 1HG1 ILE 25 1HG1 ILE 25 2.464 -8.512 -4.986 189 2HG1 ILE 25 2HG1 ILE 25 1.082 -8.386 -3.901 190 1HG2 ILE 25 1HG2 ILE 25 4.287 -10.177 -4.496 191 2HG2 ILE 25 2HG2 ILE 25 4.244 -11.083 -2.984 192 3HG2 ILE 25 3HG2 ILE 25 4.544 -9.346 -2.961 193 1HD1 ILE 25 1HD1 ILE 25 3.886 -7.464 -3.306 194 2HD1 ILE 25 2HD1 ILE 25 2.505 -7.339 -2.215 195 3HD1 ILE 25 3HD1 ILE 25 2.517 -6.436 -3.730 196 H ILE 26 H ILE 26 2.365 -13.222 -5.029 197 HA ILE 26 HA ILE 26 2.314 -14.644 -2.462 198 HB ILE 26 HB ILE 26 2.430 -16.689 -4.161 199 1HG1 ILE 26 1HG1 ILE 26 0.719 -16.066 -6.024 200 2HG1 ILE 26 2HG1 ILE 26 1.273 -14.419 -5.760 201 1HG2 ILE 26 1HG2 ILE 26 -0.007 -16.856 -3.975 202 2HG2 ILE 26 2HG2 ILE 26 -0.070 -15.173 -3.454 203 3HG2 ILE 26 3HG2 ILE 26 0.752 -16.374 -2.458 204 1HD1 ILE 26 1HD1 ILE 26 2.408 -15.460 -7.632 205 2HD1 ILE 26 2HD1 ILE 26 2.994 -16.745 -6.577 206 3HD1 ILE 26 3HD1 ILE 26 3.540 -15.087 -6.334 207 H GLU 27 H GLU 27 4.280 -13.826 -5.206 208 HA GLU 27 HA GLU 27 6.569 -14.977 -3.774 209 1HB GLU 27 1HB GLU 27 6.101 -14.854 -6.747 210 2HB GLU 27 2HB GLU 27 7.688 -15.130 -6.042 211 1HG GLU 27 1HG GLU 27 6.743 -17.118 -4.881 212 2HG GLU 27 2HG GLU 27 5.254 -16.875 -5.794 213 H VAL 28 H VAL 28 7.849 -13.494 -3.015 214 HA VAL 28 HA VAL 28 7.658 -10.791 -4.106 215 HB VAL 28 HB VAL 28 8.817 -11.755 -1.488 216 1HG1 VAL 28 1HG1 VAL 28 8.367 -8.953 -2.506 217 2HG1 VAL 28 2HG1 VAL 28 9.933 -9.733 -2.278 218 3HG1 VAL 28 3HG1 VAL 28 8.908 -9.388 -0.885 219 1HG2 VAL 28 1HG2 VAL 28 6.841 -10.663 -0.523 220 2HG2 VAL 28 2HG2 VAL 28 6.408 -11.989 -1.603 221 3HG2 VAL 28 3HG2 VAL 28 6.254 -10.320 -2.151 222 H ARG 29 H ARG 29 9.255 -10.168 -5.479 223 HA ARG 29 HA ARG 29 11.632 -11.829 -5.649 224 1HB ARG 29 1HB ARG 29 10.754 -9.545 -7.420 225 2HB ARG 29 2HB ARG 29 12.084 -10.648 -7.743 226 1HG ARG 29 1HG ARG 29 9.139 -11.215 -7.754 227 2HG ARG 29 2HG ARG 29 10.314 -11.432 -9.054 228 1HD ARG 29 1HD ARG 29 10.208 -13.016 -6.486 229 2HD ARG 29 2HD ARG 29 9.639 -13.571 -8.058 230 HE ARG 29 HE ARG 29 12.035 -13.308 -8.781 231 1HH1 ARG 29 1HH1 ARG 29 11.221 -13.846 -5.419 232 2HH1 ARG 29 2HH1 ARG 29 12.663 -14.744 -5.079 233 1HH2 ARG 29 1HH2 ARG 29 13.933 -14.503 -8.346 234 2HH2 ARG 29 2HH2 ARG 29 14.228 -15.086 -6.732 235 H SER 30 H SER 30 10.739 -8.885 -4.246 236 HA SER 30 HA SER 30 13.567 -8.365 -3.660 237 1HB SER 30 1HB SER 30 12.631 -6.646 -5.232 238 2HB SER 30 2HB SER 30 11.441 -6.230 -4.001 239 HG SER 30 HG SER 30 14.263 -6.089 -3.675 240 H ALA 31 H ALA 31 13.758 -9.074 -1.645 241 HA ALA 31 HA ALA 31 11.719 -9.595 0.144 242 1HB ALA 31 1HB ALA 31 14.587 -8.992 0.837 243 2HB ALA 31 2HB ALA 31 13.973 -10.549 0.279 244 3HB ALA 31 3HB ALA 31 13.433 -9.891 1.824 245 H ASP 32 H ASP 32 13.573 -6.621 -0.226 246 HA ASP 32 HA ASP 32 12.532 -5.456 2.186 247 1HB ASP 32 1HB ASP 32 14.730 -4.807 1.139 248 2HB ASP 32 2HB ASP 32 13.815 -4.014 -0.141 249 H GLY 33 H GLY 33 12.053 -4.678 -1.274 250 1HA GLY 33 1HA GLY 33 9.404 -4.741 -1.543 251 2HA GLY 33 2HA GLY 33 9.595 -3.270 -0.604 252 H SER 34 H SER 34 10.443 -4.840 -3.646 253 HA SER 34 HA SER 34 10.068 -2.320 -5.018 254 1HB SER 34 1HB SER 34 12.703 -3.812 -5.226 255 2HB SER 34 2HB SER 34 12.233 -2.423 -6.205 256 HG SER 34 HG SER 34 11.929 -1.869 -3.581 257 HA PRO 35 HA PRO 35 8.425 -5.124 -8.072 258 1HB PRO 35 1HB PRO 35 9.112 -3.133 -10.123 259 2HB PRO 35 2HB PRO 35 7.524 -3.712 -9.615 260 1HG PRO 35 1HG PRO 35 8.376 -1.229 -9.035 261 2HG PRO 35 2HG PRO 35 7.345 -2.151 -7.925 262 1HD PRO 35 1HD PRO 35 10.307 -1.693 -7.823 263 2HD PRO 35 2HD PRO 35 9.115 -1.666 -6.503 264 HA PRO 36 HA PRO 36 7.942 -5.822 -10.127 265 1HB PRO 36 1HB PRO 36 8.078 -8.027 -11.611 266 2HB PRO 36 2HB PRO 36 8.601 -6.467 -12.257 267 1HG PRO 36 1HG PRO 36 10.232 -8.757 -11.274 268 2HG PRO 36 2HG PRO 36 10.559 -7.632 -12.603 269 1HD PRO 36 1HD PRO 36 11.609 -7.494 -10.000 270 2HD PRO 36 2HD PRO 36 11.670 -6.214 -11.227 271 H TYR 37 H TYR 37 6.496 -7.866 -9.976 272 HA TYR 37 HA TYR 37 7.384 -9.563 -7.720 273 1HB TYR 37 1HB TYR 37 4.677 -8.222 -7.969 274 2HB TYR 37 2HB TYR 37 5.146 -9.361 -6.713 275 HD1 TYR 37 HD1 TYR 37 6.687 -8.686 -4.935 276 HD2 TYR 37 HD2 TYR 37 5.442 -5.937 -7.933 277 HE1 TYR 37 HE1 TYR 37 7.502 -6.820 -3.556 278 HE2 TYR 37 HE2 TYR 37 6.253 -4.065 -6.565 279 HH TYR 37 HH TYR 37 8.256 -4.488 -3.872 280 H VAL 38 H VAL 38 6.239 -11.593 -7.577 281 HA VAL 38 HA VAL 38 5.049 -12.422 -10.131 282 HB VAL 38 HB VAL 38 5.883 -14.144 -7.777 283 1HG1 VAL 38 1HG1 VAL 38 4.078 -15.132 -9.095 284 2HG1 VAL 38 2HG1 VAL 38 5.586 -16.021 -9.320 285 3HG1 VAL 38 3HG1 VAL 38 5.021 -14.907 -10.568 286 1HG2 VAL 38 1HG2 VAL 38 7.252 -13.657 -10.420 287 2HG2 VAL 38 2HG2 VAL 38 7.746 -14.848 -9.217 288 3HG2 VAL 38 3HG2 VAL 38 7.815 -13.127 -8.836 289 H VAL 39 H VAL 39 2.908 -12.542 -10.261 290 HA VAL 39 HA VAL 39 1.406 -12.208 -7.767 291 HB VAL 39 HB VAL 39 1.486 -10.340 -10.119 292 1HG1 VAL 39 1HG1 VAL 39 -0.405 -9.150 -9.146 293 2HG1 VAL 39 2HG1 VAL 39 -0.563 -10.405 -7.916 294 3HG1 VAL 39 3HG1 VAL 39 -0.850 -10.791 -9.613 295 1HG2 VAL 39 1HG2 VAL 39 3.106 -9.918 -8.351 296 2HG2 VAL 39 2HG2 VAL 39 1.810 -9.895 -7.155 297 3HG2 VAL 39 3HG2 VAL 39 1.886 -8.645 -8.396 298 H ARG 40 H ARG 40 -0.475 -13.196 -7.716 299 HA ARG 40 HA ARG 40 -1.586 -14.201 -10.240 300 1HB ARG 40 1HB ARG 40 -2.799 -15.855 -8.715 301 2HB ARG 40 2HB ARG 40 -1.072 -16.095 -8.950 302 1HG ARG 40 1HG ARG 40 -0.597 -15.127 -6.801 303 2HG ARG 40 2HG ARG 40 -2.297 -14.706 -6.578 304 1HD ARG 40 1HD ARG 40 -1.614 -16.741 -5.344 305 2HD ARG 40 2HD ARG 40 -2.917 -17.018 -6.497 306 HE ARG 40 HE ARG 40 -0.618 -17.617 -7.879 307 1HH1 ARG 40 1HH1 ARG 40 -2.034 -18.695 -4.849 308 2HH1 ARG 40 2HH1 ARG 40 -1.471 -20.331 -5.025 309 1HH2 ARG 40 1HH2 ARG 40 0.102 -19.759 -8.123 310 2HH2 ARG 40 2HH2 ARG 40 -0.259 -20.945 -6.893 311 H TRP 41 H TRP 41 -3.689 -13.870 -10.703 312 HA TRP 41 HA TRP 41 -5.119 -11.857 -9.140 313 1HB TRP 41 1HB TRP 41 -6.030 -13.189 -11.710 314 2HB TRP 41 2HB TRP 41 -6.554 -11.644 -11.048 315 HD1 TRP 41 HD1 TRP 41 -3.767 -13.239 -13.089 316 HE1 TRP 41 HE1 TRP 41 -2.290 -11.389 -14.093 317 HE3 TRP 41 HE3 TRP 41 -5.720 -9.211 -10.629 318 HZ2 TRP 41 HZ2 TRP 41 -1.994 -8.595 -13.880 319 HZ3 TRP 41 HZ3 TRP 41 -4.779 -6.988 -11.084 320 HH2 TRP 41 HH2 TRP 41 -2.956 -6.686 -12.674 321 H LEU 42 H LEU 42 -6.414 -12.587 -7.552 322 HA LEU 42 HA LEU 42 -6.872 -15.452 -7.386 323 1HB LEU 42 1HB LEU 42 -7.835 -13.400 -5.416 324 2HB LEU 42 2HB LEU 42 -7.541 -15.105 -5.144 325 HG LEU 42 HG LEU 42 -5.573 -12.864 -5.347 326 1HD1 LEU 42 1HD1 LEU 42 -6.448 -13.416 -3.167 327 2HD1 LEU 42 2HD1 LEU 42 -4.753 -13.886 -3.276 328 3HD1 LEU 42 3HD1 LEU 42 -6.015 -15.109 -3.393 329 1HD2 LEU 42 1HD2 LEU 42 -4.946 -15.796 -5.655 330 2HD2 LEU 42 2HD2 LEU 42 -3.764 -14.505 -5.421 331 3HD2 LEU 42 3HD2 LEU 42 -4.747 -14.547 -6.886 332 H VAL 43 H VAL 43 -8.892 -12.540 -7.178 333 HA VAL 43 HA VAL 43 -11.245 -14.170 -7.015 334 HB VAL 43 HB VAL 43 -12.327 -11.799 -6.997 335 1HG1 VAL 43 1HG1 VAL 43 -12.209 -13.295 -5.096 336 2HG1 VAL 43 2HG1 VAL 43 -11.836 -11.646 -4.595 337 3HG1 VAL 43 3HG1 VAL 43 -10.536 -12.819 -4.807 338 1HG2 VAL 43 1HG2 VAL 43 -9.454 -11.154 -6.350 339 2HG2 VAL 43 2HG2 VAL 43 -10.826 -10.074 -6.108 340 3HG2 VAL 43 3HG2 VAL 43 -10.359 -10.555 -7.739 341 H ASN 44 H ASN 44 -9.422 -12.884 -9.525 342 HA ASN 44 HA ASN 44 -11.695 -13.150 -11.333 343 1HB ASN 44 1HB ASN 44 -8.863 -12.199 -11.774 344 2HB ASN 44 2HB ASN 44 -9.937 -12.567 -13.118 345 1HD2 ASN 44 1HD2 ASN 44 -9.335 -10.469 -10.420 346 2HD2 ASN 44 2HD2 ASN 44 -10.399 -9.194 -10.924 347 H GLY 45 H GLY 45 -8.468 -14.515 -10.761 348 1HA GLY 45 1HA GLY 45 -8.202 -16.913 -10.699 349 2HA GLY 45 2HA GLY 45 -9.431 -17.035 -11.949 350 H HIS 46 H HIS 46 -6.123 -15.927 -11.317 351 HA HIS 46 HA HIS 46 -5.197 -17.075 -13.775 352 1HB HIS 46 1HB HIS 46 -5.981 -14.315 -13.800 353 2HB HIS 46 2HB HIS 46 -4.238 -14.416 -14.002 354 HD1 HIS 46 HD1 HIS 46 -7.386 -14.764 -15.814 355 HD2 HIS 46 HD2 HIS 46 -3.453 -16.023 -16.289 356 HE1 HIS 46 HE1 HIS 46 -7.178 -15.456 -18.221 357 HE2 HIS 46 HE2 HIS 46 -4.726 -15.945 -18.534 358 H GLU 47 H GLU 47 -2.831 -16.774 -14.042 359 HA GLU 47 HA GLU 47 -1.417 -15.982 -11.586 360 1HB GLU 47 1HB GLU 47 -1.646 -18.445 -11.586 361 2HB GLU 47 2HB GLU 47 -0.912 -18.513 -13.180 362 1HG GLU 47 1HG GLU 47 1.013 -18.833 -12.128 363 2HG GLU 47 2HG GLU 47 0.942 -17.125 -11.696 364 H THR 48 H THR 48 0.150 -14.550 -12.068 365 HA THR 48 HA THR 48 1.385 -14.590 -14.725 366 HB THR 48 HB THR 48 0.993 -12.110 -14.932 367 HG1 THR 48 HG1 THR 48 -0.028 -12.462 -12.492 368 1HG2 THR 48 1HG2 THR 48 -1.299 -12.279 -15.764 369 2HG2 THR 48 2HG2 THR 48 -1.516 -13.799 -14.897 370 3HG2 THR 48 3HG2 THR 48 -0.366 -13.702 -16.230 371 H THR 49 H THR 49 3.020 -12.695 -14.851 372 HA THR 49 HA THR 49 4.171 -12.079 -12.206 373 HB THR 49 HB THR 49 5.705 -12.390 -14.801 374 HG1 THR 49 HG1 THR 49 4.978 -14.160 -12.826 375 1HG2 THR 49 1HG2 THR 49 6.659 -11.900 -11.973 376 2HG2 THR 49 2HG2 THR 49 6.699 -10.732 -13.292 377 3HG2 THR 49 3HG2 THR 49 7.697 -12.184 -13.368 378 H VAL 50 H VAL 50 3.827 -9.971 -11.763 379 HA VAL 50 HA VAL 50 3.022 -8.313 -14.050 380 HB VAL 50 HB VAL 50 2.261 -7.975 -11.147 381 1HG1 VAL 50 1HG1 VAL 50 1.202 -6.632 -13.632 382 2HG1 VAL 50 2HG1 VAL 50 2.190 -5.879 -12.381 383 3HG1 VAL 50 3HG1 VAL 50 0.560 -6.432 -12.003 384 1HG2 VAL 50 1HG2 VAL 50 0.690 -9.147 -13.436 385 2HG2 VAL 50 2HG2 VAL 50 0.061 -8.822 -11.822 386 3HG2 VAL 50 3HG2 VAL 50 1.329 -10.027 -12.048 387 H TYR 51 H TYR 51 3.886 -6.407 -14.452 388 HA TYR 51 HA TYR 51 5.918 -5.328 -12.629 389 1HB TYR 51 1HB TYR 51 5.360 -4.654 -15.534 390 2HB TYR 51 2HB TYR 51 6.645 -3.963 -14.553 391 HD1 TYR 51 HD1 TYR 51 8.706 -5.072 -14.292 392 HD2 TYR 51 HD2 TYR 51 5.450 -7.093 -16.135 393 HE1 TYR 51 HE1 TYR 51 10.233 -6.854 -15.019 394 HE2 TYR 51 HE2 TYR 51 6.968 -8.885 -16.867 395 HH TYR 51 HH TYR 51 10.244 -9.093 -15.743 396 HA PRO 52 HA PRO 52 2.472 -2.425 -11.990 397 1HB PRO 52 1HB PRO 52 2.990 -1.865 -9.419 398 2HB PRO 52 2HB PRO 52 2.234 -3.391 -9.891 399 1HG PRO 52 1HG PRO 52 5.064 -2.836 -9.120 400 2HG PRO 52 2HG PRO 52 4.049 -4.237 -8.736 401 1HD PRO 52 1HD PRO 52 5.954 -4.142 -10.754 402 2HD PRO 52 2HD PRO 52 4.617 -5.304 -10.662 403 H GLY 53 H GLY 53 2.443 -0.128 -11.478 404 1HA GLY 53 1HA GLY 53 4.846 1.218 -12.341 405 2HA GLY 53 2HA GLY 53 3.300 1.971 -11.977 406 H SER 54 H SER 54 5.476 3.271 -11.132 407 HA SER 54 HA SER 54 6.510 2.560 -8.630 408 1HB SER 54 1HB SER 54 6.141 5.356 -9.732 409 2HB SER 54 2HB SER 54 7.292 4.853 -8.494 410 HG SER 54 HG SER 54 7.714 4.932 -11.060 411 H ASP 55 H ASP 55 6.044 3.225 -6.549 412 HA ASP 55 HA ASP 55 4.756 3.653 -4.746 413 1HB ASP 55 1HB ASP 55 3.119 5.246 -6.710 414 2HB ASP 55 2HB ASP 55 2.611 5.029 -5.039 415 H ALA 56 H ALA 56 4.643 1.266 -5.335 416 HA ALA 56 HA ALA 56 1.950 0.330 -5.870 417 1HB ALA 56 1HB ALA 56 2.905 -1.909 -5.612 418 2HB ALA 56 2HB ALA 56 4.437 -1.202 -5.096 419 3HB ALA 56 3HB ALA 56 3.854 -0.941 -6.741 420 H VAL 57 H VAL 57 0.472 0.002 -4.333 421 HA VAL 57 HA VAL 57 1.308 0.284 -1.531 422 HB VAL 57 HB VAL 57 -1.531 0.289 -2.535 423 1HG1 VAL 57 1HG1 VAL 57 -1.988 1.572 -0.522 424 2HG1 VAL 57 2HG1 VAL 57 -0.281 1.522 -0.088 425 3HG1 VAL 57 3HG1 VAL 57 -1.224 0.032 -0.126 426 1HG2 VAL 57 1HG2 VAL 57 -0.365 1.993 -3.803 427 2HG2 VAL 57 2HG2 VAL 57 0.331 2.653 -2.324 428 3HG2 VAL 57 3HG2 VAL 57 -1.407 2.754 -2.602 429 H VAL 58 H VAL 58 0.339 -1.130 0.078 430 HA VAL 58 HA VAL 58 -0.182 -3.809 -0.958 431 HB VAL 58 HB VAL 58 0.343 -4.340 1.552 432 1HG1 VAL 58 1HG1 VAL 58 1.620 -5.171 -0.348 433 2HG1 VAL 58 2HG1 VAL 58 2.695 -4.686 0.963 434 3HG1 VAL 58 3HG1 VAL 58 2.488 -3.638 -0.439 435 1HG2 VAL 58 1HG2 VAL 58 1.811 -1.745 1.156 436 2HG2 VAL 58 2HG2 VAL 58 2.069 -2.869 2.490 437 3HG2 VAL 58 3HG2 VAL 58 0.517 -2.046 2.317 438 H VAL 59 H VAL 59 -2.193 -4.563 -0.748 439 HA VAL 59 HA VAL 59 -3.917 -3.441 1.322 440 HB VAL 59 HB VAL 59 -5.707 -4.243 -0.360 441 1HG1 VAL 59 1HG1 VAL 59 -4.091 -1.757 -0.854 442 2HG1 VAL 59 2HG1 VAL 59 -5.408 -1.920 0.307 443 3HG1 VAL 59 3HG1 VAL 59 -5.738 -2.027 -1.422 444 1HG2 VAL 59 1HG2 VAL 59 -4.245 -5.348 -1.914 445 2HG2 VAL 59 2HG2 VAL 59 -3.368 -3.843 -2.184 446 3HG2 VAL 59 3HG2 VAL 59 -5.046 -3.990 -2.705 447 H THR 60 H THR 60 -5.818 -4.950 1.753 448 HA THR 60 HA THR 60 -4.873 -7.703 1.971 449 HB THR 60 HB THR 60 -6.341 -5.702 3.629 450 HG1 THR 60 HG1 THR 60 -4.267 -7.578 3.980 451 1HG2 THR 60 1HG2 THR 60 -7.232 -7.354 5.147 452 2HG2 THR 60 2HG2 THR 60 -6.813 -8.620 3.989 453 3HG2 THR 60 3HG2 THR 60 -8.001 -7.389 3.562 454 H ALA 61 H ALA 61 -7.377 -8.865 2.475 455 HA ALA 61 HA ALA 61 -7.987 -9.654 -0.097 456 1HB ALA 61 1HB ALA 61 -9.709 -10.001 2.340 457 2HB ALA 61 2HB ALA 61 -8.336 -11.014 1.891 458 3HB ALA 61 3HB ALA 61 -9.769 -10.966 0.864 459 H THR 62 H THR 62 -9.871 -7.346 1.883 460 HA THR 62 HA THR 62 -12.189 -7.526 0.264 461 HB THR 62 HB THR 62 -12.479 -5.093 1.397 462 HG1 THR 62 HG1 THR 62 -11.516 -5.463 3.579 463 1HG2 THR 62 1HG2 THR 62 -12.865 -7.771 2.737 464 2HG2 THR 62 2HG2 THR 62 -13.988 -7.000 1.615 465 3HG2 THR 62 3HG2 THR 62 -13.670 -6.268 3.187 466 H GLU 63 H GLU 63 -9.921 -4.778 0.540 467 HA GLU 63 HA GLU 63 -10.990 -3.314 -1.594 468 1HB GLU 63 1HB GLU 63 -8.156 -3.377 -0.535 469 2HB GLU 63 2HB GLU 63 -8.769 -2.172 -1.658 470 1HG GLU 63 1HG GLU 63 -10.430 -1.507 0.051 471 2HG GLU 63 2HG GLU 63 -9.668 -2.633 1.174 472 H HIS 64 H HIS 64 -8.951 -6.038 -1.467 473 HA HIS 64 HA HIS 64 -7.578 -5.793 -3.893 474 1HB HIS 64 1HB HIS 64 -6.655 -7.273 -2.359 475 2HB HIS 64 2HB HIS 64 -8.196 -8.058 -2.037 476 HD1 HIS 64 HD1 HIS 64 -5.573 -7.842 -4.750 477 HD2 HIS 64 HD2 HIS 64 -8.647 -10.317 -3.477 478 HE1 HIS 64 HE1 HIS 64 -5.414 -9.893 -6.172 479 HE2 HIS 64 HE2 HIS 64 -7.469 -11.207 -5.595 480 H ALA 65 H ALA 65 -10.775 -7.129 -3.190 481 HA ALA 65 HA ALA 65 -10.887 -8.888 -5.401 482 1HB ALA 65 1HB ALA 65 -12.299 -9.108 -3.420 483 2HB ALA 65 2HB ALA 65 -13.259 -9.069 -4.898 484 3HB ALA 65 3HB ALA 65 -13.164 -7.640 -3.869 485 H GLU 66 H GLU 66 -12.834 -5.958 -4.973 486 HA GLU 66 HA GLU 66 -13.757 -5.900 -7.611 487 1HB GLU 66 1HB GLU 66 -14.307 -3.440 -6.939 488 2HB GLU 66 2HB GLU 66 -15.120 -4.771 -6.131 489 1HG GLU 66 1HG GLU 66 -14.550 -3.689 -4.251 490 2HG GLU 66 2HG GLU 66 -12.966 -4.421 -4.508 491 H ALA 67 H ALA 67 -11.068 -4.237 -6.064 492 HA ALA 67 HA ALA 67 -10.336 -2.787 -8.391 493 1HB ALA 67 1HB ALA 67 -8.312 -2.226 -7.192 494 2HB ALA 67 2HB ALA 67 -8.677 -3.447 -5.972 495 3HB ALA 67 3HB ALA 67 -9.727 -2.043 -6.157 496 H GLU 68 H GLU 68 -9.875 -6.086 -7.482 497 HA GLU 68 HA GLU 68 -7.460 -6.491 -8.962 498 1HB GLU 68 1HB GLU 68 -8.259 -8.103 -7.201 499 2HB GLU 68 2HB GLU 68 -9.512 -8.617 -8.329 500 1HG GLU 68 1HG GLU 68 -7.589 -9.060 -9.964 501 2HG GLU 68 2HG GLU 68 -6.537 -8.935 -8.559 502 H LYS 69 H LYS 69 -10.924 -7.071 -9.643 503 HA LYS 69 HA LYS 69 -10.394 -7.904 -12.305 504 1HB LYS 69 1HB LYS 69 -12.758 -7.361 -12.823 505 2HB LYS 69 2HB LYS 69 -12.563 -8.372 -11.406 506 1HG LYS 69 1HG LYS 69 -14.177 -6.944 -10.690 507 2HG LYS 69 2HG LYS 69 -12.740 -6.086 -10.135 508 1HD LYS 69 1HD LYS 69 -12.996 -4.406 -11.640 509 2HD LYS 69 2HD LYS 69 -13.691 -5.465 -12.870 510 1HE LYS 69 1HE LYS 69 -15.309 -3.814 -11.988 511 2HE LYS 69 2HE LYS 69 -15.813 -5.481 -11.727 512 1HZ LYS 69 1HZ LYS 69 -15.059 -5.323 -9.441 513 2HZ LYS 69 2HZ LYS 69 -16.204 -4.116 -9.776 514 3HZ LYS 69 3HZ LYS 69 -14.556 -3.717 -9.689 515 H ARG 70 H ARG 70 -10.946 -4.701 -10.922 516 HA ARG 70 HA ARG 70 -10.735 -3.248 -13.343 517 1HB ARG 70 1HB ARG 70 -11.414 -2.512 -10.916 518 2HB ARG 70 2HB ARG 70 -9.698 -2.182 -10.736 519 1HG ARG 70 1HG ARG 70 -10.711 -0.148 -11.347 520 2HG ARG 70 2HG ARG 70 -9.879 -0.731 -12.790 521 1HD ARG 70 1HD ARG 70 -11.991 -1.608 -13.653 522 2HD ARG 70 2HD ARG 70 -12.825 -1.046 -12.205 523 HE ARG 70 HE ARG 70 -11.799 0.606 -14.397 524 1HH1 ARG 70 1HH1 ARG 70 -13.438 0.399 -11.307 525 2HH1 ARG 70 2HH1 ARG 70 -14.065 2.013 -11.383 526 1HH2 ARG 70 1HH2 ARG 70 -12.633 2.722 -14.508 527 2HH2 ARG 70 2HH2 ARG 70 -13.581 3.355 -13.195 528 H ALA 71 H ALA 71 -8.414 -4.897 -11.415 529 HA ALA 71 HA ALA 71 -6.105 -3.443 -12.353 530 1HB ALA 71 1HB ALA 71 -6.259 -6.032 -10.823 531 2HB ALA 71 2HB ALA 71 -6.142 -4.423 -10.114 532 3HB ALA 71 3HB ALA 71 -4.812 -5.057 -11.083 533 H ALA 72 H ALA 72 -7.523 -6.663 -12.932 534 HA ALA 72 HA ALA 72 -5.599 -7.479 -14.817 535 1HB ALA 72 1HB ALA 72 -8.512 -8.255 -14.691 536 2HB ALA 72 2HB ALA 72 -7.198 -9.035 -13.810 537 3HB ALA 72 3HB ALA 72 -7.244 -9.112 -15.571 538 H ALA 73 H ALA 73 -8.233 -5.248 -14.973 539 HA ALA 73 HA ALA 73 -8.285 -5.000 -17.816 540 1HB ALA 73 1HB ALA 73 -9.077 -2.981 -15.721 541 2HB ALA 73 2HB ALA 73 -10.125 -4.233 -16.391 542 3HB ALA 73 3HB ALA 73 -9.518 -2.943 -17.429 543 H ARG 74 H ARG 74 -6.916 -2.745 -15.366 544 HA ARG 74 HA ARG 74 -5.458 -1.358 -17.444 545 1HB ARG 74 1HB ARG 74 -5.552 -0.922 -14.461 546 2HB ARG 74 2HB ARG 74 -4.651 0.091 -15.577 547 1HG ARG 74 1HG ARG 74 -6.787 0.624 -16.729 548 2HG ARG 74 2HG ARG 74 -7.636 -0.278 -15.470 549 1HD ARG 74 1HD ARG 74 -6.540 1.222 -13.787 550 2HD ARG 74 2HD ARG 74 -5.935 2.189 -15.130 551 HE ARG 74 HE ARG 74 -8.361 2.516 -15.721 552 1HH1 ARG 74 1HH1 ARG 74 -7.280 1.887 -12.453 553 2HH1 ARG 74 2HH1 ARG 74 -8.670 2.617 -11.698 554 1HH2 ARG 74 1HH2 ARG 74 -10.163 3.563 -14.744 555 2HH2 ARG 74 2HH2 ARG 74 -10.293 3.607 -13.016 556 H ALA 75 H ALA 75 -4.427 -2.897 -14.391 557 HA ALA 75 HA ALA 75 -1.672 -2.393 -14.810 558 1HB ALA 75 1HB ALA 75 -1.301 -3.840 -12.884 559 2HB ALA 75 2HB ALA 75 -2.970 -4.403 -12.973 560 3HB ALA 75 3HB ALA 75 -2.629 -2.717 -12.589 561 H GLY 76 H GLY 76 -3.543 -5.418 -15.089 562 1HA GLY 76 1HA GLY 76 -1.210 -6.868 -15.980 563 2HA GLY 76 2HA GLY 76 -2.839 -7.504 -15.825 564 H HIS 77 H HIS 77 -1.939 -4.666 -17.692 565 HA HIS 77 HA HIS 77 -2.651 -6.145 -20.140 566 1HB HIS 77 1HB HIS 77 -4.476 -4.673 -19.481 567 2HB HIS 77 2HB HIS 77 -3.374 -3.306 -19.386 568 HD1 HIS 77 HD1 HIS 77 -4.744 -5.721 -21.987 569 HD2 HIS 77 HD2 HIS 77 -3.179 -1.874 -21.684 570 HE1 HIS 77 HE1 HIS 77 -5.027 -4.685 -24.262 571 HE2 HIS 77 HE2 HIS 77 -4.210 -2.315 -24.016 572 H ALA 78 H ALA 78 -0.430 -4.032 -18.567 573 HA ALA 78 HA ALA 78 1.256 -3.984 -20.926 574 1HB ALA 78 1HB ALA 78 1.509 -1.563 -20.959 575 2HB ALA 78 2HB ALA 78 0.330 -1.408 -19.656 576 3HB ALA 78 3HB ALA 78 -0.175 -2.014 -21.234 577 H ALA 79 H ALA 79 3.183 -2.281 -20.210 578 HA ALA 79 HA ALA 79 3.862 -2.698 -17.396 579 1HB ALA 79 1HB ALA 79 4.894 -4.583 -18.579 580 2HB ALA 79 2HB ALA 79 6.114 -3.476 -17.952 581 3HB ALA 79 3HB ALA 79 5.706 -3.457 -19.667 582 H THR 80 H THR 80 4.198 -0.696 -16.680 583 HA THR 80 HA THR 80 5.533 1.204 -18.477 584 HB THR 80 HB THR 80 3.192 1.796 -18.348 585 HG1 THR 80 HG1 THR 80 3.974 3.740 -18.382 586 1HG2 THR 80 1HG2 THR 80 3.547 1.919 -15.355 587 2HG2 THR 80 2HG2 THR 80 2.570 0.753 -16.247 588 3HG2 THR 80 3HG2 THR 80 2.121 2.458 -16.239 Start of MODEL 16 1 H MET 1 H MET 1 6.643 2.595 1.437 2 HA MET 1 HA MET 1 5.933 0.773 2.838 3 1HB MET 1 1HB MET 1 4.349 -0.247 1.279 4 2HB MET 1 2HB MET 1 4.502 1.472 0.955 5 1HG MET 1 1HG MET 1 4.489 0.557 -1.163 6 2HG MET 1 2HG MET 1 6.211 0.745 -0.846 7 1HE MET 1 1HE MET 1 5.082 -1.081 -3.168 8 2HE MET 1 2HE MET 1 6.077 -2.527 -2.989 9 3HE MET 1 3HE MET 1 6.805 -0.931 -2.817 10 H HIS 2 H HIS 2 5.490 -1.697 2.676 11 HA HIS 2 HA HIS 2 7.799 -3.079 1.499 12 1HB HIS 2 1HB HIS 2 6.814 -3.233 4.321 13 2HB HIS 2 2HB HIS 2 7.527 -4.661 3.576 14 HD1 HIS 2 HD1 HIS 2 8.745 -2.828 5.961 15 HD2 HIS 2 HD2 HIS 2 9.927 -2.961 1.974 16 HE1 HIS 2 HE1 HIS 2 11.129 -2.014 5.926 17 HE2 HIS 2 HE2 HIS 2 11.800 -2.038 3.490 18 H ALA 3 H ALA 3 7.343 -4.873 0.411 19 HA ALA 3 HA ALA 3 4.515 -5.609 0.216 20 1HB ALA 3 1HB ALA 3 6.806 -6.250 -1.641 21 2HB ALA 3 2HB ALA 3 5.638 -4.947 -1.859 22 3HB ALA 3 3HB ALA 3 5.105 -6.627 -1.920 23 H LYS 4 H LYS 4 3.809 -7.436 1.073 24 HA LYS 4 HA LYS 4 5.752 -9.572 1.624 25 1HB LYS 4 1HB LYS 4 3.516 -8.558 3.380 26 2HB LYS 4 2HB LYS 4 4.335 -10.090 3.651 27 1HG LYS 4 1HG LYS 4 6.440 -8.945 3.974 28 2HG LYS 4 2HG LYS 4 5.678 -7.396 3.609 29 1HD LYS 4 1HD LYS 4 4.289 -7.566 5.568 30 2HD LYS 4 2HD LYS 4 4.886 -9.195 5.893 31 1HE LYS 4 1HE LYS 4 7.095 -8.355 6.329 32 2HE LYS 4 2HE LYS 4 6.620 -6.731 5.831 33 1HZ LYS 4 1HZ LYS 4 5.476 -8.185 8.157 34 2HZ LYS 4 2HZ LYS 4 5.147 -6.584 7.703 35 3HZ LYS 4 3HZ LYS 4 6.693 -7.009 8.254 36 H VAL 5 H VAL 5 4.838 -11.716 1.736 37 HA VAL 5 HA VAL 5 2.907 -12.156 -0.344 38 HB VAL 5 HB VAL 5 4.726 -13.736 -0.128 39 1HG1 VAL 5 1HG1 VAL 5 3.695 -14.307 2.648 40 2HG1 VAL 5 2HG1 VAL 5 5.197 -13.476 2.243 41 3HG1 VAL 5 3HG1 VAL 5 4.993 -15.180 1.835 42 1HG2 VAL 5 1HG2 VAL 5 2.618 -14.663 -0.916 43 2HG2 VAL 5 2HG2 VAL 5 2.143 -15.028 0.742 44 3HG2 VAL 5 3HG2 VAL 5 3.517 -15.862 0.016 45 H GLY 6 H GLY 6 0.835 -13.002 -0.154 46 1HA GLY 6 1HA GLY 6 -1.138 -13.622 0.944 47 2HA GLY 6 2HA GLY 6 -0.320 -13.400 2.489 48 H ASP 7 H ASP 7 0.233 -10.920 0.334 49 HA ASP 7 HA ASP 7 -1.980 -9.201 1.418 50 1HB ASP 7 1HB ASP 7 0.477 -9.026 2.497 51 2HB ASP 7 2HB ASP 7 0.808 -8.106 1.036 52 H TYR 8 H TYR 8 -2.422 -7.457 -0.072 53 HA TYR 8 HA TYR 8 -1.963 -8.506 -2.760 54 1HB TYR 8 1HB TYR 8 -4.166 -6.786 -1.625 55 2HB TYR 8 2HB TYR 8 -4.024 -7.192 -3.332 56 HD1 TYR 8 HD1 TYR 8 -4.180 -9.605 -4.016 57 HD2 TYR 8 HD2 TYR 8 -5.142 -8.306 -0.089 58 HE1 TYR 8 HE1 TYR 8 -5.455 -11.676 -3.656 59 HE2 TYR 8 HE2 TYR 8 -6.420 -10.380 0.278 60 HH TYR 8 HH TYR 8 -6.152 -13.070 -1.620 61 H LEU 9 H LEU 9 -1.717 -7.084 -4.515 62 HA LEU 9 HA LEU 9 -0.112 -4.743 -3.812 63 1HB LEU 9 1HB LEU 9 0.907 -6.483 -5.224 64 2HB LEU 9 2HB LEU 9 -0.373 -6.287 -6.400 65 HG LEU 9 HG LEU 9 1.322 -3.913 -5.746 66 1HD1 LEU 9 1HD1 LEU 9 2.152 -6.172 -7.564 67 2HD1 LEU 9 2HD1 LEU 9 2.928 -5.727 -6.044 68 3HD1 LEU 9 3HD1 LEU 9 2.966 -4.615 -7.414 69 1HD2 LEU 9 1HD2 LEU 9 0.933 -3.427 -8.112 70 2HD2 LEU 9 2HD2 LEU 9 -0.589 -3.681 -7.260 71 3HD2 LEU 9 3HD2 LEU 9 0.068 -4.954 -8.288 72 H VAL 10 H VAL 10 -0.724 -2.753 -4.289 73 HA VAL 10 HA VAL 10 -2.791 -2.315 -6.340 74 HB VAL 10 HB VAL 10 -3.499 -1.918 -3.812 75 1HG1 VAL 10 1HG1 VAL 10 -3.097 0.380 -3.097 76 2HG1 VAL 10 2HG1 VAL 10 -2.064 0.636 -4.504 77 3HG1 VAL 10 3HG1 VAL 10 -1.584 -0.513 -3.255 78 1HG2 VAL 10 1HG2 VAL 10 -4.009 0.121 -5.963 79 2HG2 VAL 10 2HG2 VAL 10 -4.991 -0.134 -4.520 80 3HG2 VAL 10 3HG2 VAL 10 -4.879 -1.396 -5.746 81 H VAL 11 H VAL 11 -2.606 -0.036 -7.236 82 HA VAL 11 HA VAL 11 -0.061 1.262 -6.538 83 HB VAL 11 HB VAL 11 0.114 -0.198 -8.677 84 1HG1 VAL 11 1HG1 VAL 11 -0.541 0.933 -10.746 85 2HG1 VAL 11 2HG1 VAL 11 -1.346 2.183 -9.798 86 3HG1 VAL 11 3HG1 VAL 11 -1.934 0.522 -9.746 87 1HG2 VAL 11 1HG2 VAL 11 1.630 1.416 -9.723 88 2HG2 VAL 11 2HG2 VAL 11 1.835 1.355 -7.972 89 3HG2 VAL 11 3HG2 VAL 11 0.957 2.694 -8.710 90 H LYS 12 H LYS 12 0.025 3.546 -7.300 91 HA LYS 12 HA LYS 12 -0.767 5.546 -8.048 92 1HB LYS 12 1HB LYS 12 -1.879 3.822 -9.730 93 2HB LYS 12 2HB LYS 12 -3.350 4.365 -8.941 94 1HG LYS 12 1HG LYS 12 -3.068 6.572 -9.690 95 2HG LYS 12 2HG LYS 12 -1.382 6.285 -10.139 96 1HD LYS 12 1HD LYS 12 -3.811 5.056 -11.447 97 2HD LYS 12 2HD LYS 12 -2.792 6.329 -12.126 98 1HE LYS 12 1HE LYS 12 -0.888 4.823 -12.163 99 2HE LYS 12 2HE LYS 12 -1.848 3.556 -11.400 100 1HZ LYS 12 1HZ LYS 12 -3.238 3.446 -13.345 101 2HZ LYS 12 2HZ LYS 12 -1.618 3.271 -13.809 102 3HZ LYS 12 3HZ LYS 12 -2.417 4.743 -14.065 103 H GLY 13 H GLY 13 -1.746 4.098 -5.445 104 1HA GLY 13 1HA GLY 13 -4.164 5.577 -4.837 105 2HA GLY 13 2HA GLY 13 -3.282 4.519 -3.742 106 H THR 14 H THR 14 -2.340 7.395 -5.580 107 HA THR 14 HA THR 14 -0.870 8.362 -3.274 108 HB THR 14 HB THR 14 -1.048 9.737 -5.947 109 HG1 THR 14 HG1 THR 14 1.106 8.066 -5.676 110 1HG2 THR 14 1HG2 THR 14 1.231 10.441 -5.385 111 2HG2 THR 14 2HG2 THR 14 1.147 9.523 -3.882 112 3HG2 THR 14 3HG2 THR 14 0.091 10.914 -4.124 113 H THR 15 H THR 15 -3.783 9.128 -5.059 114 HA THR 15 HA THR 15 -4.073 11.579 -3.459 115 HB THR 15 HB THR 15 -3.507 12.209 -5.729 116 HG1 THR 15 HG1 THR 15 -5.009 13.719 -5.829 117 1HG2 THR 15 1HG2 THR 15 -5.920 10.610 -6.577 118 2HG2 THR 15 2HG2 THR 15 -4.235 10.204 -6.903 119 3HG2 THR 15 3HG2 THR 15 -4.949 11.646 -7.624 120 H THR 16 H THR 16 -5.878 11.789 -2.359 121 HA THR 16 HA THR 16 -7.928 11.443 -1.473 122 HB THR 16 HB THR 16 -8.818 10.485 -4.194 123 HG1 THR 16 HG1 THR 16 -7.912 12.965 -3.365 124 1HG2 THR 16 1HG2 THR 16 -10.248 11.971 -1.981 125 2HG2 THR 16 2HG2 THR 16 -10.459 10.267 -2.384 126 3HG2 THR 16 3HG2 THR 16 -10.949 11.513 -3.533 127 H GLU 17 H GLU 17 -8.600 8.919 -3.788 128 HA GLU 17 HA GLU 17 -7.639 6.744 -2.249 129 1HB GLU 17 1HB GLU 17 -9.693 7.592 -0.926 130 2HB GLU 17 2HB GLU 17 -10.649 6.960 -2.255 131 1HG GLU 17 1HG GLU 17 -8.698 5.265 -0.724 132 2HG GLU 17 2HG GLU 17 -10.371 5.479 -0.218 133 H ARG 18 H ARG 18 -6.825 6.215 -4.267 134 HA ARG 18 HA ARG 18 -8.824 4.972 -6.017 135 1HB ARG 18 1HB ARG 18 -8.025 6.899 -7.237 136 2HB ARG 18 2HB ARG 18 -6.350 6.476 -6.895 137 1HG ARG 18 1HG ARG 18 -6.624 4.417 -8.221 138 2HG ARG 18 2HG ARG 18 -8.273 4.908 -8.606 139 1HD ARG 18 1HD ARG 18 -7.491 6.834 -9.794 140 2HD ARG 18 2HD ARG 18 -5.835 6.547 -9.260 141 HE ARG 18 HE ARG 18 -6.398 4.270 -10.576 142 1HH1 ARG 18 1HH1 ARG 18 -6.873 7.617 -11.472 143 2HH1 ARG 18 2HH1 ARG 18 -6.567 7.347 -13.157 144 1HH2 ARG 18 1HH2 ARG 18 -6.013 3.885 -12.769 145 2HH2 ARG 18 2HH2 ARG 18 -6.073 5.208 -13.909 146 H HIS 19 H HIS 19 -8.529 2.980 -5.105 147 HA HIS 19 HA HIS 19 -5.910 1.819 -4.985 148 1HB HIS 19 1HB HIS 19 -7.228 -0.322 -4.487 149 2HB HIS 19 2HB HIS 19 -7.325 0.985 -3.318 150 HD1 HIS 19 HD1 HIS 19 -9.617 2.309 -3.219 151 HD2 HIS 19 HD2 HIS 19 -9.617 -1.102 -5.597 152 HE1 HIS 19 HE1 HIS 19 -12.037 1.712 -3.570 153 HE2 HIS 19 HE2 HIS 19 -11.980 -0.521 -4.739 154 H ASP 20 H ASP 20 -5.049 1.891 -6.976 155 HA ASP 20 HA ASP 20 -6.488 0.882 -9.281 156 1HB ASP 20 1HB ASP 20 -4.890 2.938 -9.142 157 2HB ASP 20 2HB ASP 20 -3.607 1.745 -9.283 158 H GLN 21 H GLN 21 -3.421 0.093 -10.047 159 HA GLN 21 HA GLN 21 -4.250 -2.363 -10.910 160 1HB GLN 21 1HB GLN 21 -1.427 -1.545 -10.237 161 2HB GLN 21 2HB GLN 21 -1.849 -2.981 -11.160 162 1HG GLN 21 1HG GLN 21 -2.948 -1.534 -12.834 163 2HG GLN 21 2HG GLN 21 -2.401 -0.123 -11.930 164 1HE2 GLN 21 1HE2 GLN 21 -0.505 -3.035 -12.311 165 2HE2 GLN 21 2HE2 GLN 21 0.705 -2.343 -13.335 166 H HIS 22 H HIS 22 -4.663 -4.312 -10.063 167 HA HIS 22 HA HIS 22 -3.886 -4.696 -7.249 168 1HB HIS 22 1HB HIS 22 -6.438 -4.058 -8.250 169 2HB HIS 22 2HB HIS 22 -6.500 -5.745 -7.754 170 HD1 HIS 22 HD1 HIS 22 -6.124 -2.294 -6.439 171 HD2 HIS 22 HD2 HIS 22 -6.214 -6.191 -5.012 172 HE1 HIS 22 HE1 HIS 22 -6.450 -2.098 -3.949 173 HE2 HIS 22 HE2 HIS 22 -6.752 -4.464 -3.166 174 H ALA 23 H ALA 23 -3.509 -6.702 -6.543 175 HA ALA 23 HA ALA 23 -4.580 -9.114 -7.571 176 1HB ALA 23 1HB ALA 23 -3.103 -8.689 -9.484 177 2HB ALA 23 2HB ALA 23 -2.648 -10.136 -8.584 178 3HB ALA 23 3HB ALA 23 -1.721 -8.650 -8.388 179 H GLU 24 H GLU 24 -3.084 -11.001 -6.817 180 HA GLU 24 HA GLU 24 -2.504 -10.430 -3.996 181 1HB GLU 24 1HB GLU 24 -4.027 -12.253 -4.343 182 2HB GLU 24 2HB GLU 24 -2.959 -12.994 -5.524 183 1HG GLU 24 1HG GLU 24 -2.710 -14.287 -3.600 184 2HG GLU 24 2HG GLU 24 -1.287 -13.252 -3.629 185 H ILE 25 H ILE 25 -0.503 -10.392 -3.228 186 HA ILE 25 HA ILE 25 1.685 -11.195 -4.986 187 HB ILE 25 HB ILE 25 2.000 -9.946 -2.260 188 1HG1 ILE 25 1HG1 ILE 25 1.743 -8.477 -4.899 189 2HG1 ILE 25 2HG1 ILE 25 0.506 -8.510 -3.645 190 1HG2 ILE 25 1HG2 ILE 25 3.981 -10.933 -3.275 191 2HG2 ILE 25 2HG2 ILE 25 4.124 -9.176 -3.224 192 3HG2 ILE 25 3HG2 ILE 25 3.720 -9.984 -4.739 193 1HD1 ILE 25 1HD1 ILE 25 1.782 -6.446 -3.576 194 2HD1 ILE 25 2HD1 ILE 25 3.275 -7.361 -3.365 195 3HD1 ILE 25 3HD1 ILE 25 2.039 -7.389 -2.107 196 H ILE 26 H ILE 26 1.858 -13.341 -4.905 197 HA ILE 26 HA ILE 26 1.985 -14.651 -2.280 198 HB ILE 26 HB ILE 26 1.762 -16.788 -3.404 199 1HG1 ILE 26 1HG1 ILE 26 2.952 -16.110 -5.536 200 2HG1 ILE 26 2HG1 ILE 26 1.486 -17.049 -5.783 201 1HG2 ILE 26 1HG2 ILE 26 -0.295 -14.772 -4.356 202 2HG2 ILE 26 2HG2 ILE 26 -0.294 -15.623 -2.811 203 3HG2 ILE 26 3HG2 ILE 26 -0.529 -16.519 -4.312 204 1HD1 ILE 26 1HD1 ILE 26 1.674 -15.261 -7.400 205 2HD1 ILE 26 2HD1 ILE 26 1.757 -14.069 -6.101 206 3HD1 ILE 26 3HD1 ILE 26 0.281 -15.004 -6.349 207 H GLU 27 H GLU 27 3.862 -13.685 -4.976 208 HA GLU 27 HA GLU 27 6.208 -14.984 -3.792 209 1HB GLU 27 1HB GLU 27 5.567 -14.751 -6.738 210 2HB GLU 27 2HB GLU 27 7.096 -15.328 -6.085 211 1HG GLU 27 1HG GLU 27 6.025 -17.221 -5.081 212 2HG GLU 27 2HG GLU 27 4.432 -16.607 -5.519 213 H VAL 28 H VAL 28 7.224 -13.349 -2.884 214 HA VAL 28 HA VAL 28 7.283 -10.756 -4.235 215 HB VAL 28 HB VAL 28 8.143 -11.438 -1.420 216 1HG1 VAL 28 1HG1 VAL 28 7.691 -8.777 -2.770 217 2HG1 VAL 28 2HG1 VAL 28 9.252 -9.454 -2.304 218 3HG1 VAL 28 3HG1 VAL 28 8.076 -9.012 -1.065 219 1HG2 VAL 28 1HG2 VAL 28 6.055 -10.381 -0.731 220 2HG2 VAL 28 2HG2 VAL 28 5.755 -11.793 -1.744 221 3HG2 VAL 28 3HG2 VAL 28 5.600 -10.172 -2.421 222 H ARG 29 H ARG 29 9.003 -10.504 -5.557 223 HA ARG 29 HA ARG 29 11.378 -12.043 -5.324 224 1HB ARG 29 1HB ARG 29 10.230 -10.672 -7.359 225 2HB ARG 29 2HB ARG 29 11.488 -9.536 -6.888 226 1HG ARG 29 1HG ARG 29 11.935 -12.422 -7.631 227 2HG ARG 29 2HG ARG 29 12.191 -11.042 -8.696 228 1HD ARG 29 1HD ARG 29 13.961 -10.218 -7.326 229 2HD ARG 29 2HD ARG 29 13.597 -11.388 -6.057 230 HE ARG 29 HE ARG 29 14.193 -12.744 -8.460 231 1HH1 ARG 29 1HH1 ARG 29 15.756 -10.843 -5.960 232 2HH1 ARG 29 2HH1 ARG 29 17.278 -11.678 -6.105 233 1HH2 ARG 29 1HH2 ARG 29 16.202 -13.822 -8.663 234 2HH2 ARG 29 2HH2 ARG 29 17.530 -13.358 -7.649 235 H SER 30 H SER 30 10.598 -8.682 -4.674 236 HA SER 30 HA SER 30 12.942 -8.551 -2.912 237 1HB SER 30 1HB SER 30 11.835 -6.334 -4.655 238 2HB SER 30 2HB SER 30 13.161 -6.158 -3.504 239 HG SER 30 HG SER 30 13.358 -6.866 -6.008 240 H ALA 31 H ALA 31 12.305 -8.442 -0.887 241 HA ALA 31 HA ALA 31 9.590 -8.103 -0.175 242 1HB ALA 31 1HB ALA 31 11.143 -9.545 1.051 243 2HB ALA 31 2HB ALA 31 10.337 -8.386 2.110 244 3HB ALA 31 3HB ALA 31 12.009 -8.117 1.618 245 H ASP 32 H ASP 32 12.165 -5.814 -0.473 246 HA ASP 32 HA ASP 32 11.002 -3.917 1.353 247 1HB ASP 32 1HB ASP 32 13.462 -4.002 0.829 248 2HB ASP 32 2HB ASP 32 13.081 -3.353 -0.764 249 H GLY 33 H GLY 33 11.615 -3.702 -2.165 250 1HA GLY 33 1HA GLY 33 9.031 -3.278 -3.004 251 2HA GLY 33 2HA GLY 33 9.594 -1.697 -2.484 252 H SER 34 H SER 34 10.472 -4.420 -4.562 253 HA SER 34 HA SER 34 11.065 -2.568 -6.701 254 1HB SER 34 1HB SER 34 13.163 -4.480 -5.640 255 2HB SER 34 2HB SER 34 13.287 -3.601 -7.163 256 HG SER 34 HG SER 34 12.699 -2.041 -4.960 257 HA PRO 35 HA PRO 35 9.058 -5.957 -8.824 258 1HB PRO 35 1HB PRO 35 9.815 -4.407 -11.219 259 2HB PRO 35 2HB PRO 35 8.211 -4.882 -10.652 260 1HG PRO 35 1HG PRO 35 9.034 -2.339 -10.523 261 2HG PRO 35 2HG PRO 35 8.017 -3.050 -9.255 262 1HD PRO 35 1HD PRO 35 10.979 -2.575 -9.264 263 2HD PRO 35 2HD PRO 35 9.797 -2.282 -7.970 264 HA PRO 36 HA PRO 36 8.687 -6.835 -11.165 265 1HB PRO 36 1HB PRO 36 9.090 -9.640 -11.656 266 2HB PRO 36 2HB PRO 36 8.913 -8.337 -12.831 267 1HG PRO 36 1HG PRO 36 11.234 -9.756 -12.427 268 2HG PRO 36 2HG PRO 36 11.166 -8.123 -13.109 269 1HD PRO 36 1HD PRO 36 11.817 -8.991 -10.325 270 2HD PRO 36 2HD PRO 36 12.546 -7.700 -11.304 271 H TYR 37 H TYR 37 6.810 -7.693 -10.312 272 HA TYR 37 HA TYR 37 7.114 -9.294 -7.840 273 1HB TYR 37 1HB TYR 37 4.824 -7.554 -8.792 274 2HB TYR 37 2HB TYR 37 4.795 -8.539 -7.336 275 HD1 TYR 37 HD1 TYR 37 5.758 -5.391 -8.774 276 HD2 TYR 37 HD2 TYR 37 6.434 -7.999 -5.483 277 HE1 TYR 37 HE1 TYR 37 6.712 -3.518 -7.492 278 HE2 TYR 37 HE2 TYR 37 7.396 -6.137 -4.195 279 HH TYR 37 HH TYR 37 7.073 -2.905 -5.124 280 H VAL 38 H VAL 38 6.163 -11.314 -7.754 281 HA VAL 38 HA VAL 38 4.872 -12.178 -10.238 282 HB VAL 38 HB VAL 38 5.839 -13.903 -7.946 283 1HG1 VAL 38 1HG1 VAL 38 3.971 -14.887 -9.181 284 2HG1 VAL 38 2HG1 VAL 38 5.468 -15.762 -9.506 285 3HG1 VAL 38 3HG1 VAL 38 4.831 -14.631 -10.700 286 1HG2 VAL 38 1HG2 VAL 38 7.638 -14.568 -9.483 287 2HG2 VAL 38 2HG2 VAL 38 7.701 -12.845 -9.115 288 3HG2 VAL 38 3HG2 VAL 38 7.055 -13.394 -10.662 289 H VAL 39 H VAL 39 2.819 -12.019 -10.280 290 HA VAL 39 HA VAL 39 1.379 -11.852 -7.728 291 HB VAL 39 HB VAL 39 1.893 -9.839 -9.592 292 1HG1 VAL 39 1HG1 VAL 39 -0.998 -10.657 -9.788 293 2HG1 VAL 39 2HG1 VAL 39 0.194 -10.686 -11.088 294 3HG1 VAL 39 3HG1 VAL 39 -0.312 -9.147 -10.392 295 1HG2 VAL 39 1HG2 VAL 39 -0.156 -9.955 -7.392 296 2HG2 VAL 39 2HG2 VAL 39 0.442 -8.482 -8.155 297 3HG2 VAL 39 3HG2 VAL 39 1.542 -9.506 -7.233 298 H ARG 40 H ARG 40 -0.802 -12.528 -7.755 299 HA ARG 40 HA ARG 40 -1.529 -14.133 -10.106 300 1HB ARG 40 1HB ARG 40 -0.715 -15.541 -8.224 301 2HB ARG 40 2HB ARG 40 -2.004 -14.892 -7.219 302 1HG ARG 40 1HG ARG 40 -3.673 -15.888 -8.638 303 2HG ARG 40 2HG ARG 40 -2.431 -16.440 -9.764 304 1HD ARG 40 1HD ARG 40 -2.721 -17.299 -6.888 305 2HD ARG 40 2HD ARG 40 -3.185 -18.248 -8.301 306 HE ARG 40 HE ARG 40 -0.394 -17.397 -8.077 307 1HH1 ARG 40 1HH1 ARG 40 -2.773 -19.940 -7.835 308 2HH1 ARG 40 2HH1 ARG 40 -1.612 -21.225 -7.935 309 1HH2 ARG 40 1HH2 ARG 40 1.157 -19.071 -8.188 310 2HH2 ARG 40 2HH2 ARG 40 0.630 -20.729 -8.130 311 H TRP 41 H TRP 41 -3.423 -13.635 -10.934 312 HA TRP 41 HA TRP 41 -5.269 -11.877 -9.609 313 1HB TRP 41 1HB TRP 41 -6.033 -13.557 -11.978 314 2HB TRP 41 2HB TRP 41 -6.513 -11.913 -11.587 315 HD1 TRP 41 HD1 TRP 41 -4.500 -13.711 -13.975 316 HE1 TRP 41 HE1 TRP 41 -2.781 -12.182 -15.130 317 HE3 TRP 41 HE3 TRP 41 -4.665 -9.726 -10.776 318 HZ2 TRP 41 HZ2 TRP 41 -1.644 -9.638 -14.742 319 HZ3 TRP 41 HZ3 TRP 41 -3.228 -7.781 -11.243 320 HH2 TRP 41 HH2 TRP 41 -1.748 -7.740 -13.185 321 H LEU 42 H LEU 42 -6.376 -12.678 -7.902 322 HA LEU 42 HA LEU 42 -6.837 -15.547 -7.727 323 1HB LEU 42 1HB LEU 42 -7.748 -13.445 -5.778 324 2HB LEU 42 2HB LEU 42 -7.570 -15.163 -5.489 325 HG LEU 42 HG LEU 42 -5.419 -13.091 -5.764 326 1HD1 LEU 42 1HD1 LEU 42 -6.126 -15.090 -3.634 327 2HD1 LEU 42 2HD1 LEU 42 -6.419 -13.352 -3.584 328 3HD1 LEU 42 3HD1 LEU 42 -4.767 -13.968 -3.581 329 1HD2 LEU 42 1HD2 LEU 42 -3.778 -14.895 -5.623 330 2HD2 LEU 42 2HD2 LEU 42 -4.725 -14.993 -7.108 331 3HD2 LEU 42 3HD2 LEU 42 -5.072 -16.084 -5.766 332 H VAL 43 H VAL 43 -8.809 -12.606 -7.561 333 HA VAL 43 HA VAL 43 -11.224 -14.141 -7.682 334 HB VAL 43 HB VAL 43 -12.225 -11.760 -7.736 335 1HG1 VAL 43 1HG1 VAL 43 -10.634 -12.758 -5.391 336 2HG1 VAL 43 2HG1 VAL 43 -12.266 -13.267 -5.825 337 3HG1 VAL 43 3HG1 VAL 43 -11.966 -11.606 -5.310 338 1HG2 VAL 43 1HG2 VAL 43 -10.174 -10.563 -8.324 339 2HG2 VAL 43 2HG2 VAL 43 -9.413 -11.150 -6.844 340 3HG2 VAL 43 3HG2 VAL 43 -10.785 -10.045 -6.753 341 H ASN 44 H ASN 44 -9.054 -12.894 -9.900 342 HA ASN 44 HA ASN 44 -11.067 -13.117 -11.988 343 1HB ASN 44 1HB ASN 44 -8.154 -12.320 -12.067 344 2HB ASN 44 2HB ASN 44 -9.057 -12.679 -13.533 345 1HD2 ASN 44 1HD2 ASN 44 -8.672 -10.493 -10.864 346 2HD2 ASN 44 2HD2 ASN 44 -9.578 -9.189 -11.560 347 H GLY 45 H GLY 45 -7.726 -14.404 -11.777 348 1HA GLY 45 1HA GLY 45 -7.710 -16.837 -11.074 349 2HA GLY 45 2HA GLY 45 -8.866 -17.060 -12.371 350 H HIS 46 H HIS 46 -5.531 -15.842 -11.814 351 HA HIS 46 HA HIS 46 -4.385 -17.852 -13.375 352 1HB HIS 46 1HB HIS 46 -5.513 -16.211 -15.142 353 2HB HIS 46 2HB HIS 46 -4.010 -15.324 -14.904 354 HD1 HIS 46 HD1 HIS 46 -3.256 -18.815 -14.482 355 HD2 HIS 46 HD2 HIS 46 -3.833 -16.290 -17.750 356 HE1 HIS 46 HE1 HIS 46 -2.214 -19.986 -16.447 357 HE2 HIS 46 HE2 HIS 46 -2.755 -18.541 -18.439 358 H GLU 47 H GLU 47 -2.004 -17.307 -13.923 359 HA GLU 47 HA GLU 47 -0.922 -15.733 -11.674 360 1HB GLU 47 1HB GLU 47 0.445 -18.145 -12.848 361 2HB GLU 47 2HB GLU 47 0.700 -17.400 -11.279 362 1HG GLU 47 1HG GLU 47 -0.437 -19.272 -10.663 363 2HG GLU 47 2HG GLU 47 -1.778 -18.149 -10.868 364 H THR 48 H THR 48 0.987 -14.520 -12.067 365 HA THR 48 HA THR 48 2.502 -14.756 -14.450 366 HB THR 48 HB THR 48 0.448 -13.827 -15.419 367 HG1 THR 48 HG1 THR 48 1.621 -12.735 -16.802 368 1HG2 THR 48 1HG2 THR 48 -0.335 -12.467 -13.565 369 2HG2 THR 48 2HG2 THR 48 -0.148 -11.477 -15.012 370 3HG2 THR 48 3HG2 THR 48 1.065 -11.407 -13.735 371 H THR 49 H THR 49 3.686 -12.580 -14.853 372 HA THR 49 HA THR 49 4.626 -11.554 -12.244 373 HB THR 49 HB THR 49 6.223 -11.828 -14.807 374 HG1 THR 49 HG1 THR 49 5.582 -13.716 -13.173 375 1HG2 THR 49 1HG2 THR 49 7.081 -11.048 -12.018 376 2HG2 THR 49 2HG2 THR 49 6.961 -9.962 -13.402 377 3HG2 THR 49 3HG2 THR 49 8.151 -11.264 -13.405 378 H VAL 50 H VAL 50 4.319 -9.395 -11.945 379 HA VAL 50 HA VAL 50 3.484 -7.861 -14.327 380 HB VAL 50 HB VAL 50 1.929 -6.613 -12.902 381 1HG1 VAL 50 1HG1 VAL 50 1.529 -9.599 -12.835 382 2HG1 VAL 50 2HG1 VAL 50 1.110 -8.516 -14.162 383 3HG1 VAL 50 3HG1 VAL 50 0.265 -8.387 -12.620 384 1HG2 VAL 50 1HG2 VAL 50 2.705 -8.595 -10.763 385 2HG2 VAL 50 2HG2 VAL 50 1.385 -7.430 -10.653 386 3HG2 VAL 50 3HG2 VAL 50 3.053 -6.866 -10.760 387 H TYR 51 H TYR 51 3.756 -5.618 -14.294 388 HA TYR 51 HA TYR 51 5.610 -4.515 -12.292 389 1HB TYR 51 1HB TYR 51 5.434 -3.778 -15.230 390 2HB TYR 51 2HB TYR 51 6.498 -3.029 -14.046 391 HD1 TYR 51 HD1 TYR 51 8.333 -4.421 -13.019 392 HD2 TYR 51 HD2 TYR 51 6.066 -5.745 -16.365 393 HE1 TYR 51 HE1 TYR 51 10.079 -6.064 -13.546 394 HE2 TYR 51 HE2 TYR 51 7.808 -7.398 -16.898 395 HH TYR 51 HH TYR 51 10.358 -7.598 -16.441 396 HA PRO 52 HA PRO 52 1.723 -2.174 -11.998 397 1HB PRO 52 1HB PRO 52 2.022 -1.390 -9.439 398 2HB PRO 52 2HB PRO 52 1.534 -3.034 -9.867 399 1HG PRO 52 1HG PRO 52 4.221 -2.007 -9.046 400 2HG PRO 52 2HG PRO 52 3.402 -3.506 -8.573 401 1HD PRO 52 1HD PRO 52 5.349 -3.363 -10.498 402 2HD PRO 52 2HD PRO 52 4.091 -4.613 -10.450 403 H GLY 53 H GLY 53 4.990 -1.107 -11.349 404 1HA GLY 53 1HA GLY 53 5.803 0.974 -12.206 405 2HA GLY 53 2HA GLY 53 4.190 1.645 -12.009 406 H SER 54 H SER 54 5.390 3.394 -10.935 407 HA SER 54 HA SER 54 6.478 2.796 -8.316 408 1HB SER 54 1HB SER 54 6.746 5.342 -8.266 409 2HB SER 54 2HB SER 54 7.671 4.470 -9.488 410 HG SER 54 HG SER 54 5.266 5.935 -9.837 411 H ASP 55 H ASP 55 5.738 4.183 -6.442 412 HA ASP 55 HA ASP 55 4.145 4.685 -4.914 413 1HB ASP 55 1HB ASP 55 2.858 5.651 -7.434 414 2HB ASP 55 2HB ASP 55 1.911 5.616 -5.950 415 H ALA 56 H ALA 56 4.405 2.059 -5.630 416 HA ALA 56 HA ALA 56 1.749 0.909 -5.825 417 1HB ALA 56 1HB ALA 56 4.427 -0.420 -5.399 418 2HB ALA 56 2HB ALA 56 3.624 -0.192 -6.953 419 3HB ALA 56 3HB ALA 56 2.904 -1.244 -5.733 420 H VAL 57 H VAL 57 0.602 0.072 -4.149 421 HA VAL 57 HA VAL 57 1.787 0.342 -1.460 422 HB VAL 57 HB VAL 57 -1.120 0.894 -2.065 423 1HG1 VAL 57 1HG1 VAL 57 0.604 1.587 0.306 424 2HG1 VAL 57 2HG1 VAL 57 -0.618 0.317 0.242 425 3HG1 VAL 57 3HG1 VAL 57 -1.097 2.009 0.108 426 1HG2 VAL 57 1HG2 VAL 57 1.110 2.911 -1.841 427 2HG2 VAL 57 2HG2 VAL 57 -0.610 3.289 -1.929 428 3HG2 VAL 57 3HG2 VAL 57 0.196 2.524 -3.300 429 H VAL 58 H VAL 58 0.747 -1.060 0.164 430 HA VAL 58 HA VAL 58 -0.056 -3.582 -1.041 431 HB VAL 58 HB VAL 58 0.526 -4.379 1.347 432 1HG1 VAL 58 1HG1 VAL 58 2.875 -4.645 0.701 433 2HG1 VAL 58 2HG1 VAL 58 2.659 -3.418 -0.549 434 3HG1 VAL 58 3HG1 VAL 58 1.793 -4.951 -0.658 435 1HG2 VAL 58 1HG2 VAL 58 1.989 -1.752 1.272 436 2HG2 VAL 58 2HG2 VAL 58 2.247 -3.031 2.458 437 3HG2 VAL 58 3HG2 VAL 58 0.696 -2.193 2.387 438 H VAL 59 H VAL 59 -2.029 -4.334 -0.783 439 HA VAL 59 HA VAL 59 -3.834 -3.051 1.148 440 HB VAL 59 HB VAL 59 -5.531 -3.910 -0.671 441 1HG1 VAL 59 1HG1 VAL 59 -5.470 -1.695 -1.727 442 2HG1 VAL 59 2HG1 VAL 59 -3.888 -1.408 -0.999 443 3HG1 VAL 59 3HG1 VAL 59 -5.312 -1.588 0.026 444 1HG2 VAL 59 1HG2 VAL 59 -3.897 -4.991 -2.077 445 2HG2 VAL 59 2HG2 VAL 59 -3.018 -3.472 -2.253 446 3HG2 VAL 59 3HG2 VAL 59 -4.635 -3.640 -2.939 447 H THR 60 H THR 60 -5.869 -4.489 1.414 448 HA THR 60 HA THR 60 -4.917 -7.259 1.964 449 HB THR 60 HB THR 60 -5.577 -5.779 3.914 450 HG1 THR 60 HG1 THR 60 -7.393 -7.586 4.459 451 1HG2 THR 60 1HG2 THR 60 -7.427 -4.575 2.889 452 2HG2 THR 60 2HG2 THR 60 -7.950 -5.395 4.360 453 3HG2 THR 60 3HG2 THR 60 -8.352 -6.073 2.782 454 H ALA 61 H ALA 61 -7.364 -8.419 2.503 455 HA ALA 61 HA ALA 61 -8.034 -9.377 -0.035 456 1HB ALA 61 1HB ALA 61 -8.187 -10.694 2.016 457 2HB ALA 61 2HB ALA 61 -9.692 -10.732 1.097 458 3HB ALA 61 3HB ALA 61 -9.561 -9.720 2.536 459 H THR 62 H THR 62 -9.922 -7.212 2.098 460 HA THR 62 HA THR 62 -12.198 -7.243 0.396 461 HB THR 62 HB THR 62 -12.678 -5.062 1.763 462 HG1 THR 62 HG1 THR 62 -11.536 -5.198 3.809 463 1HG2 THR 62 1HG2 THR 62 -13.575 -6.445 3.582 464 2HG2 THR 62 2HG2 THR 62 -12.596 -7.804 3.029 465 3HG2 THR 62 3HG2 THR 62 -13.887 -7.171 2.007 466 H GLU 63 H GLU 63 -9.442 -5.090 0.787 467 HA GLU 63 HA GLU 63 -10.356 -3.127 -1.076 468 1HB GLU 63 1HB GLU 63 -7.510 -3.772 -0.272 469 2HB GLU 63 2HB GLU 63 -8.096 -2.260 -0.957 470 1HG GLU 63 1HG GLU 63 -9.339 -1.770 1.026 471 2HG GLU 63 2HG GLU 63 -8.985 -3.361 1.696 472 H HIS 64 H HIS 64 -9.193 -6.252 -1.340 473 HA HIS 64 HA HIS 64 -7.782 -5.980 -3.824 474 1HB HIS 64 1HB HIS 64 -6.807 -7.612 -2.568 475 2HB HIS 64 2HB HIS 64 -8.332 -8.160 -1.892 476 HD1 HIS 64 HD1 HIS 64 -9.033 -10.388 -2.698 477 HD2 HIS 64 HD2 HIS 64 -6.645 -8.403 -5.475 478 HE1 HIS 64 HE1 HIS 64 -8.723 -11.995 -4.609 479 HE2 HIS 64 HE2 HIS 64 -7.242 -10.787 -6.267 480 H ALA 65 H ALA 65 -10.977 -7.246 -2.880 481 HA ALA 65 HA ALA 65 -11.264 -8.969 -5.070 482 1HB ALA 65 1HB ALA 65 -13.609 -9.088 -4.468 483 2HB ALA 65 2HB ALA 65 -13.446 -7.639 -3.477 484 3HB ALA 65 3HB ALA 65 -12.596 -9.115 -3.024 485 H GLU 66 H GLU 66 -13.071 -5.954 -4.603 486 HA GLU 66 HA GLU 66 -14.138 -5.916 -7.199 487 1HB GLU 66 1HB GLU 66 -14.366 -3.331 -6.442 488 2HB GLU 66 2HB GLU 66 -15.440 -4.607 -5.894 489 1HG GLU 66 1HG GLU 66 -14.840 -3.380 -3.964 490 2HG GLU 66 2HG GLU 66 -13.912 -4.876 -3.893 491 H ALA 67 H ALA 67 -11.277 -4.480 -5.813 492 HA ALA 67 HA ALA 67 -10.637 -2.863 -8.062 493 1HB ALA 67 1HB ALA 67 -8.546 -2.463 -6.933 494 2HB ALA 67 2HB ALA 67 -8.864 -3.797 -5.825 495 3HB ALA 67 3HB ALA 67 -9.888 -2.362 -5.794 496 H GLU 68 H GLU 68 -10.048 -6.237 -7.351 497 HA GLU 68 HA GLU 68 -7.824 -6.350 -9.189 498 1HB GLU 68 1HB GLU 68 -8.152 -7.998 -7.251 499 2HB GLU 68 2HB GLU 68 -9.375 -8.767 -8.260 500 1HG GLU 68 1HG GLU 68 -7.532 -8.849 -10.060 501 2HG GLU 68 2HG GLU 68 -6.421 -8.539 -8.732 502 H LYS 69 H LYS 69 -11.297 -7.035 -9.246 503 HA LYS 69 HA LYS 69 -11.407 -7.978 -11.884 504 1HB LYS 69 1HB LYS 69 -13.335 -6.212 -10.371 505 2HB LYS 69 2HB LYS 69 -13.676 -6.846 -11.975 506 1HG LYS 69 1HG LYS 69 -13.405 -9.142 -11.068 507 2HG LYS 69 2HG LYS 69 -13.223 -8.443 -9.459 508 1HD LYS 69 1HD LYS 69 -15.437 -7.518 -9.548 509 2HD LYS 69 2HD LYS 69 -15.619 -7.996 -11.234 510 1HE LYS 69 1HE LYS 69 -16.841 -9.540 -9.871 511 2HE LYS 69 2HE LYS 69 -15.431 -10.367 -10.526 512 1HZ LYS 69 1HZ LYS 69 -16.023 -10.678 -8.065 513 2HZ LYS 69 2HZ LYS 69 -15.332 -9.146 -7.838 514 3HZ LYS 69 3HZ LYS 69 -14.404 -10.413 -8.473 515 H ARG 70 H ARG 70 -11.900 -4.597 -10.851 516 HA ARG 70 HA ARG 70 -11.819 -3.457 -13.418 517 1HB ARG 70 1HB ARG 70 -10.955 -2.124 -10.849 518 2HB ARG 70 2HB ARG 70 -11.537 -1.331 -12.301 519 1HG ARG 70 1HG ARG 70 -13.234 -3.200 -10.680 520 2HG ARG 70 2HG ARG 70 -13.131 -1.469 -10.359 521 1HD ARG 70 1HD ARG 70 -13.687 -1.299 -12.924 522 2HD ARG 70 2HD ARG 70 -14.355 -2.912 -12.657 523 HE ARG 70 HE ARG 70 -15.169 -0.716 -10.883 524 1HH1 ARG 70 1HH1 ARG 70 -15.982 -3.034 -13.382 525 2HH1 ARG 70 2HH1 ARG 70 -17.692 -2.760 -13.256 526 1HH2 ARG 70 1HH2 ARG 70 -17.417 -0.384 -10.690 527 2HH2 ARG 70 2HH2 ARG 70 -18.514 -1.275 -11.709 528 H ALA 71 H ALA 71 -9.301 -3.342 -10.916 529 HA ALA 71 HA ALA 71 -7.582 -1.899 -12.691 530 1HB ALA 71 1HB ALA 71 -7.797 -1.304 -10.335 531 2HB ALA 71 2HB ALA 71 -6.128 -1.649 -10.789 532 3HB ALA 71 3HB ALA 71 -7.062 -2.844 -9.889 533 H ALA 72 H ALA 72 -7.852 -5.279 -11.864 534 HA ALA 72 HA ALA 72 -5.136 -5.792 -12.733 535 1HB ALA 72 1HB ALA 72 -7.365 -7.784 -12.360 536 2HB ALA 72 2HB ALA 72 -6.181 -7.330 -11.134 537 3HB ALA 72 3HB ALA 72 -5.658 -8.150 -12.604 538 H ALA 73 H ALA 73 -8.422 -5.947 -14.107 539 HA ALA 73 HA ALA 73 -7.731 -6.885 -16.650 540 1HB ALA 73 1HB ALA 73 -9.772 -4.770 -15.962 541 2HB ALA 73 2HB ALA 73 -10.043 -6.512 -15.928 542 3HB ALA 73 3HB ALA 73 -9.708 -5.701 -17.458 543 H ARG 74 H ARG 74 -7.374 -3.699 -15.207 544 HA ARG 74 HA ARG 74 -6.372 -2.491 -17.631 545 1HB ARG 74 1HB ARG 74 -6.263 -1.468 -14.788 546 2HB ARG 74 2HB ARG 74 -6.005 -0.518 -16.247 547 1HG ARG 74 1HG ARG 74 -8.282 -0.791 -16.909 548 2HG ARG 74 2HG ARG 74 -8.574 -1.945 -15.609 549 1HD ARG 74 1HD ARG 74 -9.503 0.110 -14.899 550 2HD ARG 74 2HD ARG 74 -8.006 -0.102 -13.995 551 HE ARG 74 HE ARG 74 -7.245 1.386 -16.130 552 1HH1 ARG 74 1HH1 ARG 74 -9.806 1.692 -13.774 553 2HH1 ARG 74 2HH1 ARG 74 -9.788 3.434 -13.776 554 1HH2 ARG 74 1HH2 ARG 74 -7.223 3.689 -16.169 555 2HH2 ARG 74 2HH2 ARG 74 -8.325 4.561 -15.143 556 H ALA 75 H ALA 75 -4.944 -3.747 -14.648 557 HA ALA 75 HA ALA 75 -2.313 -2.838 -14.906 558 1HB ALA 75 1HB ALA 75 -1.710 -4.630 -13.384 559 2HB ALA 75 2HB ALA 75 -3.250 -5.434 -13.686 560 3HB ALA 75 3HB ALA 75 -3.217 -3.867 -12.875 561 H GLY 76 H GLY 76 -3.599 -6.050 -15.831 562 1HA GLY 76 1HA GLY 76 -1.094 -6.662 -17.165 563 2HA GLY 76 2HA GLY 76 -2.460 -7.745 -16.972 564 H HIS 77 H HIS 77 -2.329 -4.496 -18.365 565 HA HIS 77 HA HIS 77 -3.658 -5.428 -20.764 566 1HB HIS 77 1HB HIS 77 -4.285 -3.265 -19.783 567 2HB HIS 77 2HB HIS 77 -2.642 -2.678 -19.999 568 HD1 HIS 77 HD1 HIS 77 -5.648 -3.747 -22.066 569 HD2 HIS 77 HD2 HIS 77 -2.144 -1.525 -22.428 570 HE1 HIS 77 HE1 HIS 77 -5.797 -2.594 -24.295 571 HE2 HIS 77 HE2 HIS 77 -3.691 -1.227 -24.486 572 H ALA 78 H ALA 78 -0.463 -4.458 -19.732 573 HA ALA 78 HA ALA 78 0.557 -5.292 -22.359 574 1HB ALA 78 1HB ALA 78 1.619 -2.987 -20.732 575 2HB ALA 78 2HB ALA 78 0.679 -2.855 -22.219 576 3HB ALA 78 3HB ALA 78 2.286 -3.583 -22.252 577 H ALA 79 H ALA 79 1.144 -7.307 -21.678 578 HA ALA 79 HA ALA 79 3.440 -7.355 -19.835 579 1HB ALA 79 1HB ALA 79 1.292 -9.469 -20.029 580 2HB ALA 79 2HB ALA 79 1.506 -8.334 -18.697 581 3HB ALA 79 3HB ALA 79 2.739 -9.551 -19.023 582 H THR 80 H THR 80 5.042 -7.484 -21.299 583 HA THR 80 HA THR 80 5.163 -9.825 -23.004 584 HB THR 80 HB THR 80 5.320 -7.039 -24.186 585 HG1 THR 80 HG1 THR 80 3.247 -8.729 -23.786 586 1HG2 THR 80 1HG2 THR 80 6.877 -8.594 -25.261 587 2HG2 THR 80 2HG2 THR 80 5.541 -8.196 -26.341 588 3HG2 THR 80 3HG2 THR 80 5.566 -9.749 -25.504 Start of MODEL 17 1 H MET 1 H MET 1 7.610 2.900 0.890 2 HA MET 1 HA MET 1 6.277 0.917 1.180 3 1HB MET 1 1HB MET 1 6.587 2.061 -1.062 4 2HB MET 1 2HB MET 1 7.782 0.833 -1.443 5 1HG MET 1 1HG MET 1 4.943 0.174 -0.720 6 2HG MET 1 2HG MET 1 5.467 0.483 -2.371 7 1HE MET 1 1HE MET 1 4.622 -1.837 -3.248 8 2HE MET 1 2HE MET 1 3.972 -2.164 -1.640 9 3HE MET 1 3HE MET 1 4.968 -3.373 -2.451 10 H HIS 2 H HIS 2 6.356 -1.075 2.010 11 HA HIS 2 HA HIS 2 8.501 -2.858 1.103 12 1HB HIS 2 1HB HIS 2 8.846 -1.926 3.488 13 2HB HIS 2 2HB HIS 2 7.482 -2.944 3.940 14 HD1 HIS 2 HD1 HIS 2 7.893 -5.617 3.149 15 HD2 HIS 2 HD2 HIS 2 11.218 -3.180 3.712 16 HE1 HIS 2 HE1 HIS 2 9.832 -7.179 3.473 17 HE2 HIS 2 HE2 HIS 2 11.793 -5.689 3.987 18 H ALA 3 H ALA 3 7.708 -4.681 0.293 19 HA ALA 3 HA ALA 3 4.850 -5.208 0.672 20 1HB ALA 3 1HB ALA 3 6.755 -6.332 -1.382 21 2HB ALA 3 2HB ALA 3 5.676 -4.958 -1.630 22 3HB ALA 3 3HB ALA 3 5.006 -6.564 -1.342 23 H LYS 4 H LYS 4 4.211 -7.543 0.674 24 HA LYS 4 HA LYS 4 6.087 -9.469 1.650 25 1HB LYS 4 1HB LYS 4 4.794 -9.869 3.800 26 2HB LYS 4 2HB LYS 4 5.799 -8.430 3.761 27 1HG LYS 4 1HG LYS 4 3.871 -7.657 4.751 28 2HG LYS 4 2HG LYS 4 3.614 -7.221 3.062 29 1HD LYS 4 1HD LYS 4 1.585 -8.165 3.858 30 2HD LYS 4 2HD LYS 4 2.336 -9.369 2.810 31 1HE LYS 4 1HE LYS 4 3.267 -10.460 4.848 32 2HE LYS 4 2HE LYS 4 2.339 -9.321 5.825 33 1HZ LYS 4 1HZ LYS 4 0.328 -10.169 4.577 34 2HZ LYS 4 2HZ LYS 4 1.034 -11.250 5.683 35 3HZ LYS 4 3HZ LYS 4 1.319 -11.432 4.022 36 H VAL 5 H VAL 5 5.009 -11.587 2.017 37 HA VAL 5 HA VAL 5 3.130 -11.969 -0.154 38 HB VAL 5 HB VAL 5 4.910 -13.537 -0.127 39 1HG1 VAL 5 1HG1 VAL 5 4.253 -14.094 2.761 40 2HG1 VAL 5 2HG1 VAL 5 5.662 -13.221 2.155 41 3HG1 VAL 5 3HG1 VAL 5 5.471 -14.940 1.804 42 1HG2 VAL 5 1HG2 VAL 5 2.762 -14.578 -0.633 43 2HG2 VAL 5 2HG2 VAL 5 2.526 -14.942 1.077 44 3HG2 VAL 5 3HG2 VAL 5 3.838 -15.713 0.184 45 H GLY 6 H GLY 6 1.111 -12.913 -0.024 46 1HA GLY 6 1HA GLY 6 -0.747 -13.840 1.121 47 2HA GLY 6 2HA GLY 6 -0.025 -13.339 2.650 48 H ASP 7 H ASP 7 0.326 -10.960 0.383 49 HA ASP 7 HA ASP 7 -2.227 -9.598 1.141 50 1HB ASP 7 1HB ASP 7 0.574 -8.666 1.648 51 2HB ASP 7 2HB ASP 7 -0.611 -7.474 1.124 52 H TYR 8 H TYR 8 -2.403 -7.563 -0.263 53 HA TYR 8 HA TYR 8 -1.949 -8.587 -2.967 54 1HB TYR 8 1HB TYR 8 -4.061 -6.735 -1.867 55 2HB TYR 8 2HB TYR 8 -3.894 -7.137 -3.571 56 HD1 TYR 8 HD1 TYR 8 -4.921 -8.367 -0.274 57 HD2 TYR 8 HD2 TYR 8 -4.518 -9.333 -4.395 58 HE1 TYR 8 HE1 TYR 8 -6.384 -10.325 0.037 59 HE2 TYR 8 HE2 TYR 8 -5.974 -11.294 -4.091 60 HH TYR 8 HH TYR 8 -6.631 -12.806 -2.159 61 H LEU 9 H LEU 9 -1.542 -7.140 -4.654 62 HA LEU 9 HA LEU 9 0.023 -4.781 -3.915 63 1HB LEU 9 1HB LEU 9 1.029 -6.520 -5.386 64 2HB LEU 9 2HB LEU 9 -0.248 -6.251 -6.551 65 HG LEU 9 HG LEU 9 1.578 -3.995 -5.766 66 1HD1 LEU 9 1HD1 LEU 9 2.110 -6.103 -7.855 67 2HD1 LEU 9 2HD1 LEU 9 3.026 -5.853 -6.369 68 3HD1 LEU 9 3HD1 LEU 9 3.036 -4.619 -7.628 69 1HD2 LEU 9 1HD2 LEU 9 1.077 -3.225 -8.030 70 2HD2 LEU 9 2HD2 LEU 9 -0.405 -3.470 -7.109 71 3HD2 LEU 9 3HD2 LEU 9 0.092 -4.660 -8.313 72 H VAL 10 H VAL 10 -0.645 -2.777 -4.458 73 HA VAL 10 HA VAL 10 -2.792 -2.491 -6.425 74 HB VAL 10 HB VAL 10 -3.211 -2.104 -3.686 75 1HG1 VAL 10 1HG1 VAL 10 -3.723 0.269 -3.451 76 2HG1 VAL 10 2HG1 VAL 10 -3.071 0.578 -5.059 77 3HG1 VAL 10 3HG1 VAL 10 -2.005 0.024 -3.769 78 1HG2 VAL 10 1HG2 VAL 10 -4.896 -2.672 -5.322 79 2HG2 VAL 10 2HG2 VAL 10 -4.766 -1.067 -6.044 80 3HG2 VAL 10 3HG2 VAL 10 -5.389 -1.250 -4.403 81 H VAL 11 H VAL 11 -2.849 -0.248 -7.316 82 HA VAL 11 HA VAL 11 -0.284 1.147 -6.945 83 HB VAL 11 HB VAL 11 -2.052 1.046 -9.402 84 1HG1 VAL 11 1HG1 VAL 11 0.458 2.658 -8.956 85 2HG1 VAL 11 2HG1 VAL 11 -1.173 3.304 -9.133 86 3HG1 VAL 11 3HG1 VAL 11 -0.398 2.486 -10.489 87 1HG2 VAL 11 1HG2 VAL 11 -0.083 0.056 -10.468 88 2HG2 VAL 11 2HG2 VAL 11 -0.637 -0.910 -9.101 89 3HG2 VAL 11 3HG2 VAL 11 0.781 0.126 -8.930 90 H LYS 12 H LYS 12 -0.348 3.373 -6.615 91 HA LYS 12 HA LYS 12 -2.757 4.463 -5.549 92 1HB LYS 12 1HB LYS 12 -0.616 5.187 -4.674 93 2HB LYS 12 2HB LYS 12 -0.124 5.767 -6.260 94 1HG LYS 12 1HG LYS 12 -2.064 7.370 -6.147 95 2HG LYS 12 2HG LYS 12 -2.240 6.897 -4.456 96 1HD LYS 12 1HD LYS 12 -0.035 7.682 -3.944 97 2HD LYS 12 2HD LYS 12 0.304 7.982 -5.652 98 1HE LYS 12 1HE LYS 12 -1.524 9.651 -5.671 99 2HE LYS 12 2HE LYS 12 -1.735 9.396 -3.938 100 1HZ LYS 12 1HZ LYS 12 0.733 10.385 -5.256 101 2HZ LYS 12 2HZ LYS 12 0.539 10.133 -3.593 102 3HZ LYS 12 3HZ LYS 12 -0.368 11.334 -4.380 103 H GLY 13 H GLY 13 -4.385 4.681 -6.979 104 1HA GLY 13 1HA GLY 13 -3.938 5.780 -9.615 105 2HA GLY 13 2HA GLY 13 -5.484 5.299 -8.930 106 H THR 14 H THR 14 -4.627 7.761 -10.369 107 HA THR 14 HA THR 14 -4.618 9.897 -8.474 108 HB THR 14 HB THR 14 -5.421 10.095 -11.380 109 HG1 THR 14 HG1 THR 14 -3.157 10.422 -11.768 110 1HG2 THR 14 1HG2 THR 14 -4.088 12.043 -9.495 111 2HG2 THR 14 2HG2 THR 14 -5.766 12.107 -10.033 112 3HG2 THR 14 3HG2 THR 14 -4.458 12.346 -11.192 113 H THR 15 H THR 15 -7.061 8.853 -10.849 114 HA THR 15 HA THR 15 -9.154 9.710 -8.978 115 HB THR 15 HB THR 15 -10.476 10.461 -10.998 116 HG1 THR 15 HG1 THR 15 -9.588 10.092 -12.871 117 1HG2 THR 15 1HG2 THR 15 -9.373 12.645 -11.147 118 2HG2 THR 15 2HG2 THR 15 -7.922 11.968 -10.409 119 3HG2 THR 15 3HG2 THR 15 -9.418 12.068 -9.481 120 H THR 16 H THR 16 -8.245 7.106 -9.203 121 HA THR 16 HA THR 16 -10.083 5.702 -10.966 122 HB THR 16 HB THR 16 -8.959 3.650 -9.927 123 HG1 THR 16 HG1 THR 16 -6.865 4.196 -9.002 124 1HG2 THR 16 1HG2 THR 16 -6.971 3.895 -11.336 125 2HG2 THR 16 2HG2 THR 16 -7.257 5.632 -11.444 126 3HG2 THR 16 3HG2 THR 16 -8.409 4.502 -12.157 127 H GLU 17 H GLU 17 -10.432 7.168 -8.144 128 HA GLU 17 HA GLU 17 -12.025 7.162 -6.544 129 1HB GLU 17 1HB GLU 17 -13.622 6.498 -8.236 130 2HB GLU 17 2HB GLU 17 -13.134 4.817 -8.093 131 1HG GLU 17 1HG GLU 17 -13.951 4.835 -5.747 132 2HG GLU 17 2HG GLU 17 -14.557 6.469 -6.019 133 H ARG 18 H ARG 18 -11.550 3.682 -7.165 134 HA ARG 18 HA ARG 18 -11.350 3.272 -4.288 135 1HB ARG 18 1HB ARG 18 -11.704 1.392 -6.617 136 2HB ARG 18 2HB ARG 18 -11.402 0.820 -4.981 137 1HG ARG 18 1HG ARG 18 -13.700 2.620 -5.706 138 2HG ARG 18 2HG ARG 18 -13.807 0.858 -5.682 139 1HD ARG 18 1HD ARG 18 -13.012 2.582 -3.335 140 2HD ARG 18 2HD ARG 18 -14.619 1.901 -3.593 141 HE ARG 18 HE ARG 18 -12.933 -0.256 -3.705 142 1HH1 ARG 18 1HH1 ARG 18 -13.494 2.267 -1.327 143 2HH1 ARG 18 2HH1 ARG 18 -13.170 1.234 0.031 144 1HH2 ARG 18 1HH2 ARG 18 -12.524 -1.606 -1.942 145 2HH2 ARG 18 2HH2 ARG 18 -12.630 -0.988 -0.320 146 H HIS 19 H HIS 19 -9.696 1.478 -6.851 147 HA HIS 19 HA HIS 19 -7.096 2.137 -5.710 148 1HB HIS 19 1HB HIS 19 -8.057 -0.728 -5.926 149 2HB HIS 19 2HB HIS 19 -6.479 -0.197 -5.365 150 HD1 HIS 19 HD1 HIS 19 -9.926 -0.883 -4.223 151 HD2 HIS 19 HD2 HIS 19 -6.517 0.993 -2.740 152 HE1 HIS 19 HE1 HIS 19 -10.301 -0.649 -1.754 153 HE2 HIS 19 HE2 HIS 19 -8.160 0.321 -0.852 154 H ASP 20 H ASP 20 -5.321 1.327 -7.096 155 HA ASP 20 HA ASP 20 -6.208 1.027 -9.884 156 1HB ASP 20 1HB ASP 20 -4.535 2.855 -9.008 157 2HB ASP 20 2HB ASP 20 -3.363 1.548 -9.099 158 H GLN 21 H GLN 21 -3.465 -0.036 -10.578 159 HA GLN 21 HA GLN 21 -4.221 -2.575 -11.197 160 1HB GLN 21 1HB GLN 21 -1.378 -1.792 -10.547 161 2HB GLN 21 2HB GLN 21 -1.886 -3.120 -11.583 162 1HG GLN 21 1HG GLN 21 -2.881 -1.517 -13.140 163 2HG GLN 21 2HG GLN 21 -2.351 -0.192 -12.105 164 1HE2 GLN 21 1HE2 GLN 21 -1.039 0.749 -13.621 165 2HE2 GLN 21 2HE2 GLN 21 0.436 0.025 -14.169 166 H HIS 22 H HIS 22 -4.240 -4.630 -10.284 167 HA HIS 22 HA HIS 22 -3.478 -4.818 -7.469 168 1HB HIS 22 1HB HIS 22 -5.752 -3.743 -7.677 169 2HB HIS 22 2HB HIS 22 -6.326 -5.261 -8.354 170 HD1 HIS 22 HD1 HIS 22 -5.734 -7.412 -6.610 171 HD2 HIS 22 HD2 HIS 22 -6.179 -3.585 -5.052 172 HE1 HIS 22 HE1 HIS 22 -6.231 -7.726 -4.178 173 HE2 HIS 22 HE2 HIS 22 -6.735 -5.414 -3.324 174 H ALA 23 H ALA 23 -3.108 -6.840 -6.735 175 HA ALA 23 HA ALA 23 -4.381 -9.226 -7.640 176 1HB ALA 23 1HB ALA 23 -2.499 -10.378 -8.634 177 2HB ALA 23 2HB ALA 23 -1.509 -8.924 -8.497 178 3HB ALA 23 3HB ALA 23 -2.902 -8.944 -9.581 179 H GLU 24 H GLU 24 -3.051 -11.182 -6.742 180 HA GLU 24 HA GLU 24 -2.379 -10.410 -3.987 181 1HB GLU 24 1HB GLU 24 -4.099 -12.253 -4.705 182 2HB GLU 24 2HB GLU 24 -2.666 -13.255 -4.876 183 1HG GLU 24 1HG GLU 24 -2.947 -11.761 -2.342 184 2HG GLU 24 2HG GLU 24 -4.083 -13.075 -2.621 185 H ILE 25 H ILE 25 -0.382 -10.513 -3.191 186 HA ILE 25 HA ILE 25 1.728 -11.440 -4.991 187 HB ILE 25 HB ILE 25 2.160 -9.966 -2.399 188 1HG1 ILE 25 1HG1 ILE 25 1.784 -8.729 -5.140 189 2HG1 ILE 25 2HG1 ILE 25 0.617 -8.642 -3.822 190 1HG2 ILE 25 1HG2 ILE 25 4.241 -9.278 -3.523 191 2HG2 ILE 25 2HG2 ILE 25 3.789 -10.254 -4.921 192 3HG2 ILE 25 3HG2 ILE 25 4.107 -11.030 -3.369 193 1HD1 ILE 25 1HD1 ILE 25 2.214 -7.405 -2.472 194 2HD1 ILE 25 2HD1 ILE 25 1.924 -6.595 -4.012 195 3HD1 ILE 25 3HD1 ILE 25 3.407 -7.516 -3.766 196 H ILE 26 H ILE 26 2.106 -13.533 -4.739 197 HA ILE 26 HA ILE 26 2.360 -14.629 -2.040 198 HB ILE 26 HB ILE 26 2.347 -16.850 -3.013 199 1HG1 ILE 26 1HG1 ILE 26 3.450 -16.173 -5.208 200 2HG1 ILE 26 2HG1 ILE 26 2.116 -17.308 -5.353 201 1HG2 ILE 26 1HG2 ILE 26 0.109 -15.101 -4.073 202 2HG2 ILE 26 2HG2 ILE 26 0.196 -15.845 -2.477 203 3HG2 ILE 26 3HG2 ILE 26 0.038 -16.856 -3.912 204 1HD1 ILE 26 1HD1 ILE 26 2.050 -15.646 -7.109 205 2HD1 ILE 26 2HD1 ILE 26 1.995 -14.354 -5.910 206 3HD1 ILE 26 3HD1 ILE 26 0.649 -15.485 -6.050 207 H GLU 27 H GLU 27 4.194 -13.819 -4.884 208 HA GLU 27 HA GLU 27 6.598 -14.860 -3.543 209 1HB GLU 27 1HB GLU 27 6.107 -14.587 -6.512 210 2HB GLU 27 2HB GLU 27 7.628 -15.080 -5.781 211 1HG GLU 27 1HG GLU 27 5.010 -16.560 -5.689 212 2HG GLU 27 2HG GLU 27 6.466 -17.020 -6.572 213 H VAL 28 H VAL 28 7.377 -13.126 -2.531 214 HA VAL 28 HA VAL 28 7.563 -10.601 -3.991 215 HB VAL 28 HB VAL 28 8.137 -11.143 -1.074 216 1HG1 VAL 28 1HG1 VAL 28 8.133 -8.691 -0.848 217 2HG1 VAL 28 2HG1 VAL 28 7.958 -8.538 -2.597 218 3HG1 VAL 28 3HG1 VAL 28 9.421 -9.251 -1.917 219 1HG2 VAL 28 1HG2 VAL 28 5.757 -9.861 -2.406 220 2HG2 VAL 28 2HG2 VAL 28 6.033 -9.951 -0.666 221 3HG2 VAL 28 3HG2 VAL 28 5.784 -11.427 -1.597 222 H ARG 29 H ARG 29 9.342 -10.724 -5.299 223 HA ARG 29 HA ARG 29 11.860 -11.746 -4.242 224 1HB ARG 29 1HB ARG 29 12.744 -11.255 -6.507 225 2HB ARG 29 2HB ARG 29 11.338 -12.308 -6.545 226 1HG ARG 29 1HG ARG 29 9.935 -10.558 -7.305 227 2HG ARG 29 2HG ARG 29 11.171 -9.341 -6.984 228 1HD ARG 29 1HD ARG 29 11.436 -11.563 -9.005 229 2HD ARG 29 2HD ARG 29 10.934 -9.917 -9.390 230 HE ARG 29 HE ARG 29 13.399 -9.884 -7.991 231 1HH1 ARG 29 1HH1 ARG 29 12.061 -10.691 -11.140 232 2HH1 ARG 29 2HH1 ARG 29 13.527 -10.294 -11.996 233 1HH2 ARG 29 1HH2 ARG 29 15.315 -9.400 -9.100 234 2HH2 ARG 29 2HH2 ARG 29 15.386 -9.579 -10.827 235 H SER 30 H SER 30 10.189 -9.010 -3.963 236 HA SER 30 HA SER 30 12.208 -7.035 -4.454 237 1HB SER 30 1HB SER 30 9.709 -6.621 -2.836 238 2HB SER 30 2HB SER 30 10.533 -5.489 -3.910 239 HG SER 30 HG SER 30 9.655 -6.443 -5.642 240 H ALA 31 H ALA 31 13.802 -6.526 -3.076 241 HA ALA 31 HA ALA 31 14.042 -7.549 -0.463 242 1HB ALA 31 1HB ALA 31 15.891 -5.973 -0.200 243 2HB ALA 31 2HB ALA 31 15.375 -5.117 -1.654 244 3HB ALA 31 3HB ALA 31 15.964 -6.775 -1.770 245 H ASP 32 H ASP 32 12.926 -4.431 -1.681 246 HA ASP 32 HA ASP 32 11.680 -3.938 0.943 247 1HB ASP 32 1HB ASP 32 12.422 -1.930 -1.202 248 2HB ASP 32 2HB ASP 32 11.574 -1.546 0.290 249 H GLY 33 H GLY 33 11.165 -2.919 -2.412 250 1HA GLY 33 1HA GLY 33 8.686 -4.238 -2.739 251 2HA GLY 33 2HA GLY 33 8.419 -2.566 -2.259 252 H SER 34 H SER 34 10.694 -4.223 -4.422 253 HA SER 34 HA SER 34 10.175 -2.166 -6.445 254 1HB SER 34 1HB SER 34 12.375 -3.143 -7.394 255 2HB SER 34 2HB SER 34 12.469 -2.163 -5.930 256 HG SER 34 HG SER 34 13.258 -4.677 -6.278 257 HA PRO 35 HA PRO 35 8.332 -5.265 -9.088 258 1HB PRO 35 1HB PRO 35 9.130 -3.590 -11.359 259 2HB PRO 35 2HB PRO 35 7.510 -3.982 -10.777 260 1HG PRO 35 1HG PRO 35 8.567 -1.509 -10.531 261 2HG PRO 35 2HG PRO 35 7.445 -2.188 -9.337 262 1HD PRO 35 1HD PRO 35 10.431 -1.959 -9.217 263 2HD PRO 35 2HD PRO 35 9.226 -1.668 -7.944 264 HA PRO 36 HA PRO 36 7.844 -6.275 -10.904 265 1HB PRO 36 1HB PRO 36 7.913 -8.711 -11.989 266 2HB PRO 36 2HB PRO 36 8.405 -7.285 -12.910 267 1HG PRO 36 1HG PRO 36 10.085 -9.376 -11.608 268 2HG PRO 36 2HG PRO 36 10.346 -8.512 -13.132 269 1HD PRO 36 1HD PRO 36 11.537 -7.907 -10.671 270 2HD PRO 36 2HD PRO 36 11.481 -6.844 -12.090 271 H TYR 37 H TYR 37 6.324 -8.057 -10.286 272 HA TYR 37 HA TYR 37 7.206 -9.499 -7.859 273 1HB TYR 37 1HB TYR 37 4.433 -8.403 -8.358 274 2HB TYR 37 2HB TYR 37 5.043 -9.118 -6.873 275 HD1 TYR 37 HD1 TYR 37 5.346 -6.170 -9.101 276 HD2 TYR 37 HD2 TYR 37 6.067 -7.769 -5.223 277 HE1 TYR 37 HE1 TYR 37 5.891 -3.921 -8.281 278 HE2 TYR 37 HE2 TYR 37 6.620 -5.517 -4.395 279 HH TYR 37 HH TYR 37 7.385 -3.340 -5.312 280 H VAL 38 H VAL 38 6.331 -11.634 -7.641 281 HA VAL 38 HA VAL 38 4.982 -12.586 -10.069 282 HB VAL 38 HB VAL 38 6.198 -14.211 -7.819 283 1HG1 VAL 38 1HG1 VAL 38 4.877 -15.113 -10.387 284 2HG1 VAL 38 2HG1 VAL 38 4.218 -15.310 -8.764 285 3HG1 VAL 38 3HG1 VAL 38 5.690 -16.162 -9.226 286 1HG2 VAL 38 1HG2 VAL 38 7.858 -13.166 -9.279 287 2HG2 VAL 38 2HG2 VAL 38 7.039 -13.827 -10.694 288 3HG2 VAL 38 3HG2 VAL 38 7.808 -14.911 -9.534 289 H VAL 39 H VAL 39 2.924 -12.577 -10.037 290 HA VAL 39 HA VAL 39 1.538 -12.406 -7.452 291 HB VAL 39 HB VAL 39 2.186 -10.301 -9.113 292 1HG1 VAL 39 1HG1 VAL 39 -0.688 -10.997 -9.656 293 2HG1 VAL 39 2HG1 VAL 39 0.634 -10.977 -10.824 294 3HG1 VAL 39 3HG1 VAL 39 0.099 -9.474 -10.074 295 1HG2 VAL 39 1HG2 VAL 39 1.613 -10.099 -6.787 296 2HG2 VAL 39 2HG2 VAL 39 -0.078 -10.451 -7.142 297 3HG2 VAL 39 3HG2 VAL 39 0.663 -8.970 -7.750 298 H ARG 40 H ARG 40 -0.856 -12.692 -7.722 299 HA ARG 40 HA ARG 40 -1.629 -13.943 -10.236 300 1HB ARG 40 1HB ARG 40 -2.822 -15.764 -8.961 301 2HB ARG 40 2HB ARG 40 -1.071 -15.882 -9.009 302 1HG ARG 40 1HG ARG 40 -0.934 -14.997 -6.746 303 2HG ARG 40 2HG ARG 40 -2.691 -14.827 -6.698 304 1HD ARG 40 1HD ARG 40 -2.011 -16.855 -5.554 305 2HD ARG 40 2HD ARG 40 -2.920 -17.252 -7.011 306 HE ARG 40 HE ARG 40 0.025 -17.366 -6.884 307 1HH1 ARG 40 1HH1 ARG 40 -3.061 -18.728 -7.821 308 2HH1 ARG 40 2HH1 ARG 40 -2.359 -20.113 -8.609 309 1HH2 ARG 40 1HH2 ARG 40 0.959 -19.181 -7.910 310 2HH2 ARG 40 2HH2 ARG 40 -0.071 -20.377 -8.650 311 H TRP 41 H TRP 41 -3.583 -13.377 -10.904 312 HA TRP 41 HA TRP 41 -5.186 -11.619 -9.254 313 1HB TRP 41 1HB TRP 41 -6.326 -12.634 -11.791 314 2HB TRP 41 2HB TRP 41 -6.264 -10.994 -11.167 315 HD1 TRP 41 HD1 TRP 41 -4.432 -13.409 -13.433 316 HE1 TRP 41 HE1 TRP 41 -2.623 -12.140 -14.748 317 HE3 TRP 41 HE3 TRP 41 -4.598 -8.956 -10.936 318 HZ2 TRP 41 HZ2 TRP 41 -1.429 -9.590 -14.726 319 HZ3 TRP 41 HZ3 TRP 41 -3.089 -7.151 -11.652 320 HH2 TRP 41 HH2 TRP 41 -1.537 -7.463 -13.506 321 H LEU 42 H LEU 42 -6.424 -12.553 -7.733 322 HA LEU 42 HA LEU 42 -7.020 -15.369 -7.883 323 1HB LEU 42 1HB LEU 42 -8.029 -13.423 -5.828 324 2HB LEU 42 2HB LEU 42 -7.825 -15.155 -5.658 325 HG LEU 42 HG LEU 42 -5.655 -13.071 -5.805 326 1HD1 LEU 42 1HD1 LEU 42 -5.114 -13.893 -3.578 327 2HD1 LEU 42 2HD1 LEU 42 -6.484 -15.001 -3.653 328 3HD1 LEU 42 3HD1 LEU 42 -6.756 -13.259 -3.658 329 1HD2 LEU 42 1HD2 LEU 42 -5.385 -16.071 -5.699 330 2HD2 LEU 42 2HD2 LEU 42 -4.070 -14.903 -5.559 331 3HD2 LEU 42 3HD2 LEU 42 -4.973 -15.036 -7.068 332 H VAL 43 H VAL 43 -8.940 -12.380 -7.728 333 HA VAL 43 HA VAL 43 -11.390 -13.837 -8.011 334 HB VAL 43 HB VAL 43 -12.306 -11.449 -8.228 335 1HG1 VAL 43 1HG1 VAL 43 -10.903 -12.356 -5.730 336 2HG1 VAL 43 2HG1 VAL 43 -12.525 -12.828 -6.236 337 3HG1 VAL 43 3HG1 VAL 43 -12.191 -11.154 -5.791 338 1HG2 VAL 43 1HG2 VAL 43 -10.211 -10.325 -8.756 339 2HG2 VAL 43 2HG2 VAL 43 -9.550 -10.836 -7.204 340 3HG2 VAL 43 3HG2 VAL 43 -10.903 -9.706 -7.256 341 H ASN 44 H ASN 44 -9.051 -12.831 -10.119 342 HA ASN 44 HA ASN 44 -10.933 -12.643 -12.342 343 1HB ASN 44 1HB ASN 44 -7.990 -12.029 -12.152 344 2HB ASN 44 2HB ASN 44 -8.818 -12.151 -13.699 345 1HD2 ASN 44 1HD2 ASN 44 -8.379 -10.284 -10.827 346 2HD2 ASN 44 2HD2 ASN 44 -9.229 -8.881 -11.364 347 H GLY 45 H GLY 45 -7.972 -14.434 -11.440 348 1HA GLY 45 1HA GLY 45 -8.013 -16.851 -11.543 349 2HA GLY 45 2HA GLY 45 -9.070 -16.725 -12.940 350 H HIS 46 H HIS 46 -5.797 -15.794 -11.874 351 HA HIS 46 HA HIS 46 -4.491 -17.204 -13.940 352 1HB HIS 46 1HB HIS 46 -5.245 -14.442 -14.565 353 2HB HIS 46 2HB HIS 46 -3.522 -14.741 -14.722 354 HD1 HIS 46 HD1 HIS 46 -6.288 -14.572 -16.780 355 HD2 HIS 46 HD2 HIS 46 -3.319 -17.447 -16.295 356 HE1 HIS 46 HE1 HIS 46 -6.242 -15.872 -18.933 357 HE2 HIS 46 HE2 HIS 46 -4.316 -17.478 -18.684 358 H GLU 47 H GLU 47 -2.143 -16.876 -13.875 359 HA GLU 47 HA GLU 47 -1.169 -15.347 -11.560 360 1HB GLU 47 1HB GLU 47 -1.298 -17.662 -10.834 361 2HB GLU 47 2HB GLU 47 -0.458 -18.203 -12.278 362 1HG GLU 47 1HG GLU 47 1.036 -16.256 -10.684 363 2HG GLU 47 2HG GLU 47 0.694 -17.770 -9.849 364 H THR 48 H THR 48 0.828 -14.320 -11.905 365 HA THR 48 HA THR 48 2.541 -14.905 -14.065 366 HB THR 48 HB THR 48 0.788 -14.152 -15.487 367 HG1 THR 48 HG1 THR 48 2.085 -11.857 -15.878 368 1HG2 THR 48 1HG2 THR 48 -0.509 -12.820 -13.901 369 2HG2 THR 48 2HG2 THR 48 -0.183 -11.897 -15.368 370 3HG2 THR 48 3HG2 THR 48 0.750 -11.585 -13.904 371 H THR 49 H THR 49 3.998 -13.031 -14.576 372 HA THR 49 HA THR 49 4.751 -11.724 -12.057 373 HB THR 49 HB THR 49 6.399 -12.017 -14.584 374 HG1 THR 49 HG1 THR 49 5.645 -13.940 -12.975 375 1HG2 THR 49 1HG2 THR 49 7.139 -10.234 -13.065 376 2HG2 THR 49 2HG2 THR 49 8.293 -11.569 -13.095 377 3HG2 THR 49 3HG2 THR 49 7.186 -11.390 -11.734 378 H VAL 50 H VAL 50 4.100 -9.664 -11.860 379 HA VAL 50 HA VAL 50 3.337 -8.261 -14.334 380 HB VAL 50 HB VAL 50 1.728 -7.010 -13.003 381 1HG1 VAL 50 1HG1 VAL 50 1.037 -9.090 -14.054 382 2HG1 VAL 50 2HG1 VAL 50 0.188 -8.851 -12.526 383 3HG1 VAL 50 3HG1 VAL 50 1.529 -9.992 -12.621 384 1HG2 VAL 50 1HG2 VAL 50 1.266 -7.640 -10.672 385 2HG2 VAL 50 2HG2 VAL 50 2.891 -6.980 -10.865 386 3HG2 VAL 50 3HG2 VAL 50 2.661 -8.721 -10.696 387 H TYR 51 H TYR 51 3.577 -6.029 -14.484 388 HA TYR 51 HA TYR 51 5.505 -4.788 -12.641 389 1HB TYR 51 1HB TYR 51 5.107 -4.265 -15.601 390 2HB TYR 51 2HB TYR 51 6.176 -3.341 -14.553 391 HD1 TYR 51 HD1 TYR 51 5.623 -6.681 -16.058 392 HD2 TYR 51 HD2 TYR 51 8.365 -4.110 -14.061 393 HE1 TYR 51 HE1 TYR 51 7.448 -8.253 -16.553 394 HE2 TYR 51 HE2 TYR 51 10.196 -5.676 -14.551 395 HH TYR 51 HH TYR 51 9.843 -8.308 -16.744 396 HA PRO 52 HA PRO 52 1.700 -2.372 -12.060 397 1HB PRO 52 1HB PRO 52 2.401 -1.306 -9.684 398 2HB PRO 52 2HB PRO 52 1.835 -2.975 -9.833 399 1HG PRO 52 1HG PRO 52 4.636 -1.937 -9.606 400 2HG PRO 52 2HG PRO 52 3.887 -3.325 -8.794 401 1HD PRO 52 1HD PRO 52 5.479 -3.564 -10.990 402 2HD PRO 52 2HD PRO 52 4.166 -4.697 -10.617 403 H GLY 53 H GLY 53 4.874 -1.471 -12.662 404 1HA GLY 53 1HA GLY 53 5.645 0.454 -13.699 405 2HA GLY 53 2HA GLY 53 4.078 1.199 -13.412 406 H SER 54 H SER 54 3.610 1.887 -11.202 407 HA SER 54 HA SER 54 5.791 2.332 -9.398 408 1HB SER 54 1HB SER 54 5.498 4.893 -9.606 409 2HB SER 54 2HB SER 54 6.458 4.077 -10.840 410 HG SER 54 HG SER 54 3.699 4.752 -11.078 411 H ASP 55 H ASP 55 5.084 3.708 -7.531 412 HA ASP 55 HA ASP 55 3.642 4.327 -5.890 413 1HB ASP 55 1HB ASP 55 1.580 4.332 -8.102 414 2HB ASP 55 2HB ASP 55 1.311 4.951 -6.477 415 H ALA 56 H ALA 56 4.176 1.573 -6.209 416 HA ALA 56 HA ALA 56 1.714 0.112 -6.006 417 1HB ALA 56 1HB ALA 56 4.531 -0.800 -5.430 418 2HB ALA 56 2HB ALA 56 3.710 -0.903 -6.989 419 3HB ALA 56 3HB ALA 56 3.114 -1.836 -5.615 420 H VAL 57 H VAL 57 0.618 -0.456 -4.265 421 HA VAL 57 HA VAL 57 1.733 0.096 -1.588 422 HB VAL 57 HB VAL 57 -1.183 0.447 -2.311 423 1HG1 VAL 57 1HG1 VAL 57 -0.738 0.102 0.045 424 2HG1 VAL 57 2HG1 VAL 57 -1.264 1.761 -0.242 425 3HG1 VAL 57 3HG1 VAL 57 0.442 1.412 0.037 426 1HG2 VAL 57 1HG2 VAL 57 0.935 2.594 -2.225 427 2HG2 VAL 57 2HG2 VAL 57 -0.801 2.872 -2.362 428 3HG2 VAL 57 3HG2 VAL 57 0.062 2.038 -3.654 429 H VAL 58 H VAL 58 0.693 -1.222 0.125 430 HA VAL 58 HA VAL 58 0.079 -3.903 -0.889 431 HB VAL 58 HB VAL 58 0.847 -3.049 1.911 432 1HG1 VAL 58 1HG1 VAL 58 1.223 -5.436 2.303 433 2HG1 VAL 58 2HG1 VAL 58 0.631 -5.792 0.679 434 3HG1 VAL 58 3HG1 VAL 58 -0.457 -5.101 1.883 435 1HG2 VAL 58 1HG2 VAL 58 2.516 -4.321 -0.258 436 2HG2 VAL 58 2HG2 VAL 58 3.036 -4.041 1.404 437 3HG2 VAL 58 3HG2 VAL 58 2.674 -2.673 0.349 438 H VAL 59 H VAL 59 -1.970 -4.518 -0.943 439 HA VAL 59 HA VAL 59 -3.909 -3.269 0.879 440 HB VAL 59 HB VAL 59 -5.482 -4.328 -1.007 441 1HG1 VAL 59 1HG1 VAL 59 -5.562 -2.109 -2.050 442 2HG1 VAL 59 2HG1 VAL 59 -4.068 -1.679 -1.218 443 3HG1 VAL 59 3HG1 VAL 59 -5.531 -2.012 -0.289 444 1HG2 VAL 59 1HG2 VAL 59 -4.519 -3.968 -3.220 445 2HG2 VAL 59 2HG2 VAL 59 -3.644 -5.216 -2.329 446 3HG2 VAL 59 3HG2 VAL 59 -2.963 -3.595 -2.477 447 H THR 60 H THR 60 -5.924 -4.743 1.119 448 HA THR 60 HA THR 60 -4.969 -7.457 1.822 449 HB THR 60 HB THR 60 -5.276 -5.875 3.766 450 HG1 THR 60 HG1 THR 60 -6.317 -7.435 5.033 451 1HG2 THR 60 1HG2 THR 60 -7.549 -5.358 4.522 452 2HG2 THR 60 2HG2 THR 60 -8.199 -6.070 3.043 453 3HG2 THR 60 3HG2 THR 60 -7.203 -4.616 2.960 454 H ALA 61 H ALA 61 -7.455 -8.376 2.778 455 HA ALA 61 HA ALA 61 -8.410 -9.570 0.450 456 1HB ALA 61 1HB ALA 61 -9.787 -9.423 3.124 457 2HB ALA 61 2HB ALA 61 -8.527 -10.573 2.678 458 3HB ALA 61 3HB ALA 61 -10.085 -10.610 1.852 459 H THR 62 H THR 62 -9.925 -6.900 2.320 460 HA THR 62 HA THR 62 -12.246 -6.970 0.602 461 HB THR 62 HB THR 62 -12.599 -4.671 1.855 462 HG1 THR 62 HG1 THR 62 -11.618 -4.870 3.985 463 1HG2 THR 62 1HG2 THR 62 -13.735 -5.915 3.653 464 2HG2 THR 62 2HG2 THR 62 -12.901 -7.382 3.144 465 3HG2 THR 62 3HG2 THR 62 -14.055 -6.606 2.061 466 H GLU 63 H GLU 63 -9.376 -5.043 1.000 467 HA GLU 63 HA GLU 63 -9.872 -3.074 -0.949 468 1HB GLU 63 1HB GLU 63 -7.235 -4.326 -0.159 469 2HB GLU 63 2HB GLU 63 -7.452 -2.774 -0.952 470 1HG GLU 63 1HG GLU 63 -8.542 -3.407 1.776 471 2HG GLU 63 2HG GLU 63 -6.960 -2.681 1.497 472 H HIS 64 H HIS 64 -9.478 -6.374 -1.168 473 HA HIS 64 HA HIS 64 -8.007 -6.501 -3.622 474 1HB HIS 64 1HB HIS 64 -7.407 -8.265 -2.368 475 2HB HIS 64 2HB HIS 64 -8.952 -8.348 -1.546 476 HD1 HIS 64 HD1 HIS 64 -9.921 -10.598 -1.913 477 HD2 HIS 64 HD2 HIS 64 -7.952 -9.191 -5.293 478 HE1 HIS 64 HE1 HIS 64 -10.126 -12.420 -3.630 479 HE2 HIS 64 HE2 HIS 64 -8.738 -11.624 -5.579 480 H ALA 65 H ALA 65 -11.419 -7.171 -2.741 481 HA ALA 65 HA ALA 65 -11.982 -8.764 -4.945 482 1HB ALA 65 1HB ALA 65 -14.319 -8.408 -4.409 483 2HB ALA 65 2HB ALA 65 -13.903 -7.003 -3.428 484 3HB ALA 65 3HB ALA 65 -13.379 -8.612 -2.930 485 H GLU 66 H GLU 66 -13.184 -5.482 -4.506 486 HA GLU 66 HA GLU 66 -14.171 -5.221 -7.121 487 1HB GLU 66 1HB GLU 66 -13.941 -2.646 -6.316 488 2HB GLU 66 2HB GLU 66 -15.240 -3.715 -5.815 489 1HG GLU 66 1HG GLU 66 -14.444 -2.605 -3.862 490 2HG GLU 66 2HG GLU 66 -13.886 -4.272 -3.770 491 H ALA 67 H ALA 67 -11.246 -3.980 -5.610 492 HA ALA 67 HA ALA 67 -10.363 -2.452 -7.795 493 1HB ALA 67 1HB ALA 67 -8.255 -2.315 -6.595 494 2HB ALA 67 2HB ALA 67 -8.763 -3.627 -5.531 495 3HB ALA 67 3HB ALA 67 -9.618 -2.086 -5.501 496 H GLU 68 H GLU 68 -9.771 -5.819 -6.877 497 HA GLU 68 HA GLU 68 -7.558 -6.110 -8.641 498 1HB GLU 68 1HB GLU 68 -7.969 -7.580 -6.673 499 2HB GLU 68 2HB GLU 68 -9.302 -8.312 -7.554 500 1HG GLU 68 1HG GLU 68 -7.864 -9.273 -9.143 501 2HG GLU 68 2HG GLU 68 -6.507 -8.263 -8.641 502 H LYS 69 H LYS 69 -11.026 -6.894 -8.932 503 HA LYS 69 HA LYS 69 -10.814 -8.112 -11.453 504 1HB LYS 69 1HB LYS 69 -13.065 -6.519 -10.236 505 2HB LYS 69 2HB LYS 69 -13.194 -7.307 -11.804 506 1HG LYS 69 1HG LYS 69 -12.467 -9.437 -10.532 507 2HG LYS 69 2HG LYS 69 -12.945 -8.536 -9.092 508 1HD LYS 69 1HD LYS 69 -14.770 -9.941 -9.939 509 2HD LYS 69 2HD LYS 69 -15.181 -8.225 -10.008 510 1HE LYS 69 1HE LYS 69 -14.682 -8.160 -12.370 511 2HE LYS 69 2HE LYS 69 -14.119 -9.830 -12.332 512 1HZ LYS 69 1HZ LYS 69 -16.898 -8.995 -11.696 513 2HZ LYS 69 2HZ LYS 69 -16.321 -10.581 -11.863 514 3HZ LYS 69 3HZ LYS 69 -16.392 -9.559 -13.217 515 H ARG 70 H ARG 70 -11.568 -4.703 -10.710 516 HA ARG 70 HA ARG 70 -11.640 -3.887 -13.422 517 1HB ARG 70 1HB ARG 70 -11.016 -2.180 -11.004 518 2HB ARG 70 2HB ARG 70 -11.618 -1.616 -12.557 519 1HG ARG 70 1HG ARG 70 -13.708 -2.759 -12.213 520 2HG ARG 70 2HG ARG 70 -13.109 -3.469 -10.714 521 1HD ARG 70 1HD ARG 70 -12.851 -1.169 -9.802 522 2HD ARG 70 2HD ARG 70 -13.608 -0.546 -11.269 523 HE ARG 70 HE ARG 70 -15.290 -2.491 -10.190 524 1HH1 ARG 70 1HH1 ARG 70 -14.117 0.720 -9.411 525 2HH1 ARG 70 2HH1 ARG 70 -15.513 1.124 -8.453 526 1HH2 ARG 70 1HH2 ARG 70 -17.108 -1.966 -8.934 527 2HH2 ARG 70 2HH2 ARG 70 -17.226 -0.391 -8.201 528 H ALA 71 H ALA 71 -9.083 -3.814 -11.006 529 HA ALA 71 HA ALA 71 -7.324 -2.313 -12.705 530 1HB ALA 71 1HB ALA 71 -7.395 -1.926 -10.308 531 2HB ALA 71 2HB ALA 71 -5.779 -2.379 -10.859 532 3HB ALA 71 3HB ALA 71 -6.794 -3.561 -10.032 533 H ALA 72 H ALA 72 -7.836 -5.715 -12.138 534 HA ALA 72 HA ALA 72 -5.262 -6.459 -13.173 535 1HB ALA 72 1HB ALA 72 -6.181 -8.692 -13.477 536 2HB ALA 72 2HB ALA 72 -7.803 -8.087 -13.141 537 3HB ALA 72 3HB ALA 72 -6.575 -8.071 -11.875 538 H ALA 73 H ALA 73 -8.502 -5.966 -14.479 539 HA ALA 73 HA ALA 73 -7.903 -6.526 -17.179 540 1HB ALA 73 1HB ALA 73 -10.190 -6.313 -16.340 541 2HB ALA 73 2HB ALA 73 -9.910 -5.225 -17.700 542 3HB ALA 73 3HB ALA 73 -9.931 -4.592 -16.055 543 H ARG 74 H ARG 74 -7.278 -3.753 -15.174 544 HA ARG 74 HA ARG 74 -6.430 -2.064 -17.352 545 1HB ARG 74 1HB ARG 74 -7.344 -1.014 -15.413 546 2HB ARG 74 2HB ARG 74 -6.214 -1.842 -14.354 547 1HG ARG 74 1HG ARG 74 -4.389 -0.525 -15.153 548 2HG ARG 74 2HG ARG 74 -5.394 0.188 -16.420 549 1HD ARG 74 1HD ARG 74 -6.678 1.400 -14.862 550 2HD ARG 74 2HD ARG 74 -6.070 0.457 -13.504 551 HE ARG 74 HE ARG 74 -4.047 1.657 -13.599 552 1HH1 ARG 74 1HH1 ARG 74 -6.449 2.849 -15.867 553 2HH1 ARG 74 2HH1 ARG 74 -5.628 4.366 -16.115 554 1HH2 ARG 74 1HH2 ARG 74 -2.986 3.642 -13.929 555 2HH2 ARG 74 2HH2 ARG 74 -3.680 4.818 -15.004 556 H ALA 75 H ALA 75 -4.700 -3.682 -14.681 557 HA ALA 75 HA ALA 75 -2.111 -2.863 -15.277 558 1HB ALA 75 1HB ALA 75 -1.374 -4.702 -13.871 559 2HB ALA 75 2HB ALA 75 -2.970 -5.447 -13.982 560 3HB ALA 75 3HB ALA 75 -2.775 -3.895 -13.165 561 H GLY 76 H GLY 76 -3.516 -6.078 -16.025 562 1HA GLY 76 1HA GLY 76 -1.186 -6.661 -17.674 563 2HA GLY 76 2HA GLY 76 -2.465 -7.788 -17.248 564 H HIS 77 H HIS 77 -3.130 -4.631 -18.522 565 HA HIS 77 HA HIS 77 -3.967 -5.831 -21.081 566 1HB HIS 77 1HB HIS 77 -5.720 -4.733 -19.604 567 2HB HIS 77 2HB HIS 77 -4.900 -3.208 -19.906 568 HD1 HIS 77 HD1 HIS 77 -5.290 -2.080 -22.168 569 HD2 HIS 77 HD2 HIS 77 -7.127 -5.795 -21.802 570 HE1 HIS 77 HE1 HIS 77 -6.868 -2.256 -24.117 571 HE2 HIS 77 HE2 HIS 77 -8.130 -4.398 -23.732 572 H ALA 78 H ALA 78 -2.109 -3.368 -19.491 573 HA ALA 78 HA ALA 78 -1.257 -2.219 -22.048 574 1HB ALA 78 1HB ALA 78 -0.733 -1.270 -19.233 575 2HB ALA 78 2HB ALA 78 -1.984 -0.650 -20.310 576 3HB ALA 78 3HB ALA 78 -0.283 -0.424 -20.715 577 H ALA 79 H ALA 79 -0.312 -4.481 -19.736 578 HA ALA 79 HA ALA 79 2.443 -4.442 -20.765 579 1HB ALA 79 1HB ALA 79 2.425 -3.602 -18.465 580 2HB ALA 79 2HB ALA 79 3.258 -5.152 -18.574 581 3HB ALA 79 3HB ALA 79 1.619 -5.075 -17.931 582 H THR 80 H THR 80 2.380 -6.102 -22.153 583 HA THR 80 HA THR 80 2.206 -8.747 -21.103 584 HB THR 80 HB THR 80 -0.130 -8.628 -21.380 585 HG1 THR 80 HG1 THR 80 0.860 -9.747 -23.809 586 1HG2 THR 80 1HG2 THR 80 0.295 -7.411 -24.114 587 2HG2 THR 80 2HG2 THR 80 -0.253 -6.551 -22.674 588 3HG2 THR 80 3HG2 THR 80 -1.261 -7.810 -23.386 Start of MODEL 18 1 H MET 1 H MET 1 9.384 2.286 -0.153 2 HA MET 1 HA MET 1 6.588 1.318 -0.128 3 1HB MET 1 1HB MET 1 7.442 2.073 -2.371 4 2HB MET 1 2HB MET 1 8.733 0.891 -2.225 5 1HG MET 1 1HG MET 1 5.827 0.136 -2.135 6 2HG MET 1 2HG MET 1 6.742 0.239 -3.637 7 1HE MET 1 1HE MET 1 5.145 -2.356 -2.388 8 2HE MET 1 2HE MET 1 6.258 -3.635 -2.873 9 3HE MET 1 3HE MET 1 5.871 -2.331 -3.994 10 H HIS 2 H HIS 2 6.333 -0.623 0.759 11 HA HIS 2 HA HIS 2 8.602 -2.478 0.825 12 1HB HIS 2 1HB HIS 2 8.425 -1.348 3.059 13 2HB HIS 2 2HB HIS 2 6.792 -1.989 3.205 14 HD1 HIS 2 HD1 HIS 2 10.382 -3.170 2.985 15 HD2 HIS 2 HD2 HIS 2 6.646 -4.544 4.193 16 HE1 HIS 2 HE1 HIS 2 10.802 -5.371 4.135 17 HE2 HIS 2 HE2 HIS 2 8.560 -6.048 5.064 18 H ALA 3 H ALA 3 8.005 -4.567 0.351 19 HA ALA 3 HA ALA 3 5.168 -4.951 -0.279 20 1HB ALA 3 1HB ALA 3 6.742 -5.323 -2.107 21 2HB ALA 3 2HB ALA 3 5.890 -6.807 -1.682 22 3HB ALA 3 3HB ALA 3 7.557 -6.567 -1.157 23 H LYS 4 H LYS 4 4.098 -6.902 0.293 24 HA LYS 4 HA LYS 4 5.288 -8.440 2.475 25 1HB LYS 4 1HB LYS 4 3.987 -6.465 3.355 26 2HB LYS 4 2HB LYS 4 2.549 -7.166 2.632 27 1HG LYS 4 1HG LYS 4 4.135 -8.818 4.530 28 2HG LYS 4 2HG LYS 4 3.132 -7.514 5.165 29 1HD LYS 4 1HD LYS 4 1.262 -8.542 3.721 30 2HD LYS 4 2HD LYS 4 2.306 -9.965 3.649 31 1HE LYS 4 1HE LYS 4 2.279 -10.177 6.038 32 2HE LYS 4 2HE LYS 4 1.410 -8.652 6.209 33 1HZ LYS 4 1HZ LYS 4 -0.394 -9.754 4.838 34 2HZ LYS 4 2HZ LYS 4 -0.204 -10.305 6.430 35 3HZ LYS 4 3HZ LYS 4 0.406 -11.221 5.142 36 H VAL 5 H VAL 5 4.824 -10.557 2.307 37 HA VAL 5 HA VAL 5 3.361 -11.435 -0.018 38 HB VAL 5 HB VAL 5 5.458 -12.535 0.512 39 1HG1 VAL 5 1HG1 VAL 5 5.725 -13.935 2.515 40 2HG1 VAL 5 2HG1 VAL 5 4.157 -13.378 3.100 41 3HG1 VAL 5 3HG1 VAL 5 5.488 -12.235 2.921 42 1HG2 VAL 5 1HG2 VAL 5 3.789 -13.884 -0.608 43 2HG2 VAL 5 2HG2 VAL 5 3.111 -14.375 0.944 44 3HG2 VAL 5 3HG2 VAL 5 4.738 -14.884 0.492 45 H GLY 6 H GLY 6 1.494 -12.633 -0.078 46 1HA GLY 6 1HA GLY 6 -0.424 -13.683 0.783 47 2HA GLY 6 2HA GLY 6 0.100 -13.259 2.412 48 H ASP 7 H ASP 7 0.460 -10.705 0.360 49 HA ASP 7 HA ASP 7 -2.160 -9.502 1.130 50 1HB ASP 7 1HB ASP 7 0.623 -8.501 1.527 51 2HB ASP 7 2HB ASP 7 -0.583 -7.328 1.006 52 H TYR 8 H TYR 8 -2.377 -7.402 -0.230 53 HA TYR 8 HA TYR 8 -2.045 -8.367 -2.985 54 1HB TYR 8 1HB TYR 8 -4.194 -6.650 -1.749 55 2HB TYR 8 2HB TYR 8 -4.083 -7.011 -3.468 56 HD1 TYR 8 HD1 TYR 8 -4.465 -9.311 -4.276 57 HD2 TYR 8 HD2 TYR 8 -5.021 -8.288 -0.186 58 HE1 TYR 8 HE1 TYR 8 -5.766 -11.373 -3.949 59 HE2 TYR 8 HE2 TYR 8 -6.318 -10.356 0.149 60 HH TYR 8 HH TYR 8 -6.311 -12.894 -1.953 61 H LEU 9 H LEU 9 -1.714 -6.900 -4.650 62 HA LEU 9 HA LEU 9 -0.148 -4.549 -3.878 63 1HB LEU 9 1HB LEU 9 1.059 -6.200 -5.155 64 2HB LEU 9 2HB LEU 9 -0.207 -6.261 -6.360 65 HG LEU 9 HG LEU 9 1.146 -3.643 -5.985 66 1HD1 LEU 9 1HD1 LEU 9 3.007 -5.205 -5.875 67 2HD1 LEU 9 2HD1 LEU 9 3.006 -4.335 -7.409 68 3HD1 LEU 9 3HD1 LEU 9 2.435 -6.003 -7.340 69 1HD2 LEU 9 1HD2 LEU 9 -0.642 -3.932 -7.632 70 2HD2 LEU 9 2HD2 LEU 9 0.271 -5.231 -8.398 71 3HD2 LEU 9 3HD2 LEU 9 0.898 -3.583 -8.417 72 H VAL 10 H VAL 10 -0.584 -2.570 -4.659 73 HA VAL 10 HA VAL 10 -2.658 -2.129 -6.672 74 HB VAL 10 HB VAL 10 -2.795 -1.201 -3.812 75 1HG1 VAL 10 1HG1 VAL 10 -2.767 0.868 -5.103 76 2HG1 VAL 10 2HG1 VAL 10 -4.369 0.567 -4.426 77 3HG1 VAL 10 3HG1 VAL 10 -4.058 0.251 -6.134 78 1HG2 VAL 10 1HG2 VAL 10 -4.166 -3.078 -4.479 79 2HG2 VAL 10 2HG2 VAL 10 -4.866 -2.127 -5.789 80 3HG2 VAL 10 3HG2 VAL 10 -5.176 -1.680 -4.111 81 H VAL 11 H VAL 11 -2.236 -0.261 -7.902 82 HA VAL 11 HA VAL 11 0.099 1.309 -7.064 83 HB VAL 11 HB VAL 11 0.196 2.253 -9.280 84 1HG1 VAL 11 1HG1 VAL 11 1.321 0.134 -8.933 85 2HG1 VAL 11 2HG1 VAL 11 0.706 0.247 -10.582 86 3HG1 VAL 11 3HG1 VAL 11 -0.142 -0.739 -9.390 87 1HG2 VAL 11 1HG2 VAL 11 -1.323 1.544 -11.070 88 2HG2 VAL 11 2HG2 VAL 11 -2.171 2.400 -9.783 89 3HG2 VAL 11 3HG2 VAL 11 -2.279 0.643 -9.893 90 H LYS 12 H LYS 12 0.008 3.583 -7.008 91 HA LYS 12 HA LYS 12 -2.721 4.614 -6.567 92 1HB LYS 12 1HB LYS 12 -1.255 4.110 -4.497 93 2HB LYS 12 2HB LYS 12 -0.311 5.506 -4.992 94 1HG LYS 12 1HG LYS 12 -2.023 6.994 -4.520 95 2HG LYS 12 2HG LYS 12 -3.268 5.741 -4.595 96 1HD LYS 12 1HD LYS 12 -2.373 4.732 -2.550 97 2HD LYS 12 2HD LYS 12 -1.126 5.977 -2.481 98 1HE LYS 12 1HE LYS 12 -4.071 6.601 -2.433 99 2HE LYS 12 2HE LYS 12 -3.123 6.319 -0.973 100 1HZ LYS 12 1HZ LYS 12 -1.664 8.151 -1.654 101 2HZ LYS 12 2HZ LYS 12 -3.263 8.655 -1.401 102 3HZ LYS 12 3HZ LYS 12 -2.676 8.462 -2.983 103 H GLY 13 H GLY 13 -0.056 4.751 -8.436 104 1HA GLY 13 1HA GLY 13 0.336 7.509 -8.887 105 2HA GLY 13 2HA GLY 13 0.672 6.222 -10.037 106 H THR 14 H THR 14 -2.108 5.277 -10.037 107 HA THR 14 HA THR 14 -3.234 7.137 -11.915 108 HB THR 14 HB THR 14 -4.602 4.715 -10.723 109 HG1 THR 14 HG1 THR 14 -3.591 3.479 -12.266 110 1HG2 THR 14 1HG2 THR 14 -4.923 6.128 -13.376 111 2HG2 THR 14 2HG2 THR 14 -6.037 6.232 -12.012 112 3HG2 THR 14 3HG2 THR 14 -5.814 4.698 -12.855 113 H THR 15 H THR 15 -3.438 8.987 -10.582 114 HA THR 15 HA THR 15 -4.634 8.986 -8.036 115 HB THR 15 HB THR 15 -4.429 11.375 -9.870 116 HG1 THR 15 HG1 THR 15 -2.285 11.536 -9.250 117 1HG2 THR 15 1HG2 THR 15 -4.086 12.600 -7.779 118 2HG2 THR 15 2HG2 THR 15 -4.220 11.097 -6.865 119 3HG2 THR 15 3HG2 THR 15 -5.616 11.726 -7.742 120 H THR 16 H THR 16 -6.007 9.265 -11.230 121 HA THR 16 HA THR 16 -8.430 10.527 -10.450 122 HB THR 16 HB THR 16 -7.601 10.576 -12.774 123 HG1 THR 16 HG1 THR 16 -9.760 10.990 -12.623 124 1HG2 THR 16 1HG2 THR 16 -6.738 8.305 -12.957 125 2HG2 THR 16 2HG2 THR 16 -7.927 8.611 -14.223 126 3HG2 THR 16 3HG2 THR 16 -8.371 7.655 -12.811 127 H GLU 17 H GLU 17 -7.274 7.336 -10.095 128 HA GLU 17 HA GLU 17 -9.991 6.254 -9.889 129 1HB GLU 17 1HB GLU 17 -7.359 5.086 -10.547 130 2HB GLU 17 2HB GLU 17 -8.423 4.079 -9.572 131 1HG GLU 17 1HG GLU 17 -9.016 5.261 -12.272 132 2HG GLU 17 2HG GLU 17 -8.763 3.559 -11.878 133 H ARG 18 H ARG 18 -10.077 4.399 -8.198 134 HA ARG 18 HA ARG 18 -9.589 5.591 -5.614 135 1HB ARG 18 1HB ARG 18 -10.655 2.835 -6.290 136 2HB ARG 18 2HB ARG 18 -10.702 3.596 -4.710 137 1HG ARG 18 1HG ARG 18 -12.853 3.902 -5.475 138 2HG ARG 18 2HG ARG 18 -12.086 5.432 -5.899 139 1HD ARG 18 1HD ARG 18 -11.811 4.706 -8.184 140 2HD ARG 18 2HD ARG 18 -12.422 3.103 -7.783 141 HE ARG 18 HE ARG 18 -14.421 4.848 -7.073 142 1HH1 ARG 18 1HH1 ARG 18 -12.696 4.052 -10.029 143 2HH1 ARG 18 2HH1 ARG 18 -14.052 4.441 -11.051 144 1HH2 ARG 18 1HH2 ARG 18 -16.181 5.344 -8.432 145 2HH2 ARG 18 2HH2 ARG 18 -16.009 5.187 -10.158 146 H HIS 19 H HIS 19 -8.849 2.390 -6.913 147 HA HIS 19 HA HIS 19 -6.071 2.654 -6.251 148 1HB HIS 19 1HB HIS 19 -6.222 0.303 -5.060 149 2HB HIS 19 2HB HIS 19 -6.440 1.789 -4.151 150 HD1 HIS 19 HD1 HIS 19 -8.105 1.267 -2.399 151 HD2 HIS 19 HD2 HIS 19 -9.177 -0.359 -6.074 152 HE1 HIS 19 HE1 HIS 19 -10.344 0.195 -2.038 153 HE2 HIS 19 HE2 HIS 19 -10.831 -1.020 -4.188 154 H ASP 20 H ASP 20 -5.045 1.952 -7.952 155 HA ASP 20 HA ASP 20 -6.535 0.317 -9.885 156 1HB ASP 20 1HB ASP 20 -5.886 2.578 -10.588 157 2HB ASP 20 2HB ASP 20 -4.203 2.225 -10.226 158 H GLN 21 H GLN 21 -4.973 -0.924 -11.413 159 HA GLN 21 HA GLN 21 -3.890 -2.941 -11.568 160 1HB GLN 21 1HB GLN 21 -1.698 -1.204 -10.435 161 2HB GLN 21 2HB GLN 21 -1.473 -2.667 -11.389 162 1HG GLN 21 1HG GLN 21 -2.654 -1.573 -13.269 163 2HG GLN 21 2HG GLN 21 -2.748 -0.100 -12.307 164 1HE2 GLN 21 1HE2 GLN 21 -1.563 1.110 -13.718 165 2HE2 GLN 21 2HE2 GLN 21 0.137 0.892 -13.951 166 H HIS 22 H HIS 22 -4.683 -4.507 -10.253 167 HA HIS 22 HA HIS 22 -3.560 -4.695 -7.546 168 1HB HIS 22 1HB HIS 22 -5.757 -3.590 -7.416 169 2HB HIS 22 2HB HIS 22 -6.489 -4.959 -8.243 170 HD1 HIS 22 HD1 HIS 22 -6.073 -7.351 -6.846 171 HD2 HIS 22 HD2 HIS 22 -5.912 -3.779 -4.733 172 HE1 HIS 22 HE1 HIS 22 -6.406 -7.972 -4.449 173 HE2 HIS 22 HE2 HIS 22 -6.480 -5.782 -3.214 174 H ALA 23 H ALA 23 -3.129 -6.661 -6.809 175 HA ALA 23 HA ALA 23 -4.477 -9.073 -7.623 176 1HB ALA 23 1HB ALA 23 -3.059 -8.804 -9.607 177 2HB ALA 23 2HB ALA 23 -2.614 -10.224 -8.661 178 3HB ALA 23 3HB ALA 23 -1.634 -8.761 -8.567 179 H GLU 24 H GLU 24 -3.078 -11.003 -6.759 180 HA GLU 24 HA GLU 24 -2.315 -10.201 -4.035 181 1HB GLU 24 1HB GLU 24 -3.982 -11.988 -4.193 182 2HB GLU 24 2HB GLU 24 -2.864 -12.966 -5.137 183 1HG GLU 24 1HG GLU 24 -1.336 -13.077 -3.241 184 2HG GLU 24 2HG GLU 24 -2.426 -12.075 -2.291 185 H ILE 25 H ILE 25 -0.317 -10.234 -3.312 186 HA ILE 25 HA ILE 25 1.804 -11.249 -5.036 187 HB ILE 25 HB ILE 25 2.077 -9.774 -2.412 188 1HG1 ILE 25 1HG1 ILE 25 2.166 -8.666 -5.231 189 2HG1 ILE 25 2HG1 ILE 25 0.871 -8.395 -4.069 190 1HG2 ILE 25 1HG2 ILE 25 4.037 -10.283 -4.647 191 2HG2 ILE 25 2HG2 ILE 25 4.040 -11.054 -3.061 192 3HG2 ILE 25 3HG2 ILE 25 4.354 -9.324 -3.201 193 1HD1 ILE 25 1HD1 ILE 25 2.375 -6.484 -4.211 194 2HD1 ILE 25 2HD1 ILE 25 3.730 -7.510 -3.740 195 3HD1 ILE 25 3HD1 ILE 25 2.411 -7.214 -2.607 196 H ILE 26 H ILE 26 2.038 -13.372 -4.828 197 HA ILE 26 HA ILE 26 2.102 -14.536 -2.142 198 HB ILE 26 HB ILE 26 2.077 -16.753 -3.254 199 1HG1 ILE 26 1HG1 ILE 26 2.942 -15.765 -5.503 200 2HG1 ILE 26 2HG1 ILE 26 1.733 -17.036 -5.573 201 1HG2 ILE 26 1HG2 ILE 26 -0.315 -16.647 -3.880 202 2HG2 ILE 26 2HG2 ILE 26 -0.219 -14.888 -3.941 203 3HG2 ILE 26 3HG2 ILE 26 0.020 -15.730 -2.410 204 1HD1 ILE 26 1HD1 ILE 26 0.003 -15.363 -5.976 205 2HD1 ILE 26 2HD1 ILE 26 1.280 -15.293 -7.192 206 3HD1 ILE 26 3HD1 ILE 26 1.222 -14.090 -5.905 207 H GLU 27 H GLU 27 4.087 -13.852 -4.923 208 HA GLU 27 HA GLU 27 6.364 -14.709 -3.291 209 1HB GLU 27 1HB GLU 27 6.145 -16.328 -5.110 210 2HB GLU 27 2HB GLU 27 6.175 -15.023 -6.293 211 1HG GLU 27 1HG GLU 27 8.429 -14.482 -5.763 212 2HG GLU 27 2HG GLU 27 8.420 -15.553 -4.367 213 H VAL 28 H VAL 28 7.584 -13.103 -2.771 214 HA VAL 28 HA VAL 28 7.465 -10.638 -4.337 215 HB VAL 28 HB VAL 28 8.759 -11.003 -1.635 216 1HG1 VAL 28 1HG1 VAL 28 7.760 -8.569 -3.109 217 2HG1 VAL 28 2HG1 VAL 28 9.445 -9.024 -2.862 218 3HG1 VAL 28 3HG1 VAL 28 8.443 -8.572 -1.483 219 1HG2 VAL 28 1HG2 VAL 28 6.709 -10.119 -0.640 220 2HG2 VAL 28 2HG2 VAL 28 6.407 -11.647 -1.468 221 3HG2 VAL 28 3HG2 VAL 28 5.933 -10.126 -2.224 222 H ARG 29 H ARG 29 9.099 -10.202 -5.686 223 HA ARG 29 HA ARG 29 11.306 -11.925 -6.008 224 1HB ARG 29 1HB ARG 29 10.255 -10.540 -7.795 225 2HB ARG 29 2HB ARG 29 10.959 -9.111 -7.060 226 1HG ARG 29 1HG ARG 29 12.817 -11.300 -7.771 227 2HG ARG 29 2HG ARG 29 12.079 -10.408 -9.101 228 1HD ARG 29 1HD ARG 29 12.853 -8.296 -7.977 229 2HD ARG 29 2HD ARG 29 13.757 -9.310 -6.855 230 HE ARG 29 HE ARG 29 14.749 -10.222 -9.101 231 1HH1 ARG 29 1HH1 ARG 29 13.986 -6.899 -8.301 232 2HH1 ARG 29 2HH1 ARG 29 15.209 -6.231 -9.333 233 1HH2 ARG 29 1HH2 ARG 29 16.326 -9.361 -10.474 234 2HH2 ARG 29 2HH2 ARG 29 16.538 -7.638 -10.586 235 H SER 30 H SER 30 10.889 -8.890 -4.320 236 HA SER 30 HA SER 30 13.334 -9.394 -2.843 237 1HB SER 30 1HB SER 30 14.153 -7.985 -4.652 238 2HB SER 30 2HB SER 30 12.854 -6.825 -4.382 239 HG SER 30 HG SER 30 15.119 -6.524 -3.407 240 H ALA 31 H ALA 31 13.019 -8.936 -0.732 241 HA ALA 31 HA ALA 31 10.421 -8.285 0.168 242 1HB ALA 31 1HB ALA 31 12.996 -8.330 1.737 243 2HB ALA 31 2HB ALA 31 11.950 -9.718 1.435 244 3HB ALA 31 3HB ALA 31 11.367 -8.367 2.408 245 H ASP 32 H ASP 32 13.187 -6.376 -0.569 246 HA ASP 32 HA ASP 32 12.544 -4.055 0.925 247 1HB ASP 32 1HB ASP 32 14.125 -4.333 -1.644 248 2HB ASP 32 2HB ASP 32 14.058 -2.879 -0.655 249 H GLY 33 H GLY 33 11.166 -5.483 -1.843 250 1HA GLY 33 1HA GLY 33 9.014 -4.727 -2.591 251 2HA GLY 33 2HA GLY 33 9.512 -3.081 -2.230 252 H SER 34 H SER 34 12.043 -4.676 -3.673 253 HA SER 34 HA SER 34 11.917 -3.100 -6.014 254 1HB SER 34 1HB SER 34 13.629 -5.554 -5.601 255 2HB SER 34 2HB SER 34 13.965 -4.166 -6.638 256 HG SER 34 HG SER 34 14.963 -4.370 -4.390 257 HA PRO 35 HA PRO 35 9.180 -5.759 -8.371 258 1HB PRO 35 1HB PRO 35 9.873 -3.973 -10.601 259 2HB PRO 35 2HB PRO 35 8.306 -4.252 -9.837 260 1HG PRO 35 1HG PRO 35 9.644 -1.941 -9.527 261 2HG PRO 35 2HG PRO 35 8.647 -2.634 -8.236 262 1HD PRO 35 1HD PRO 35 11.622 -2.704 -8.572 263 2HD PRO 35 2HD PRO 35 10.661 -2.420 -7.105 264 HA PRO 36 HA PRO 36 8.325 -6.258 -10.617 265 1HB PRO 36 1HB PRO 36 7.873 -8.600 -11.804 266 2HB PRO 36 2HB PRO 36 8.659 -7.273 -12.669 267 1HG PRO 36 1HG PRO 36 9.887 -9.680 -11.380 268 2HG PRO 36 2HG PRO 36 10.248 -8.953 -12.956 269 1HD PRO 36 1HD PRO 36 11.738 -8.522 -10.697 270 2HD PRO 36 2HD PRO 36 11.630 -7.373 -12.046 271 H TYR 37 H TYR 37 6.504 -7.948 -10.247 272 HA TYR 37 HA TYR 37 7.097 -9.512 -7.808 273 1HB TYR 37 1HB TYR 37 4.457 -8.180 -8.421 274 2HB TYR 37 2HB TYR 37 4.943 -8.954 -6.917 275 HD1 TYR 37 HD1 TYR 37 5.276 -5.970 -9.009 276 HD2 TYR 37 HD2 TYR 37 6.346 -7.776 -5.309 277 HE1 TYR 37 HE1 TYR 37 6.015 -3.787 -8.166 278 HE2 TYR 37 HE2 TYR 37 7.089 -5.588 -4.453 279 HH TYR 37 HH TYR 37 7.910 -3.406 -5.439 280 H VAL 38 H VAL 38 6.072 -11.556 -7.669 281 HA VAL 38 HA VAL 38 4.812 -12.406 -10.180 282 HB VAL 38 HB VAL 38 5.796 -14.109 -7.875 283 1HG1 VAL 38 1HG1 VAL 38 5.254 -16.022 -9.324 284 2HG1 VAL 38 2HG1 VAL 38 4.576 -14.922 -10.523 285 3HG1 VAL 38 3HG1 VAL 38 3.811 -15.081 -8.941 286 1HG2 VAL 38 1HG2 VAL 38 7.459 -14.901 -9.490 287 2HG2 VAL 38 2HG2 VAL 38 7.595 -13.161 -9.229 288 3HG2 VAL 38 3HG2 VAL 38 6.825 -13.778 -10.692 289 H VAL 39 H VAL 39 2.789 -12.030 -10.211 290 HA VAL 39 HA VAL 39 1.356 -11.878 -7.657 291 HB VAL 39 HB VAL 39 2.116 -9.791 -9.265 292 1HG1 VAL 39 1HG1 VAL 39 0.113 -8.865 -10.300 293 2HG1 VAL 39 2HG1 VAL 39 -0.758 -10.354 -9.940 294 3HG1 VAL 39 3HG1 VAL 39 0.610 -10.380 -11.054 295 1HG2 VAL 39 1HG2 VAL 39 1.459 -9.590 -6.968 296 2HG2 VAL 39 2HG2 VAL 39 -0.225 -9.907 -7.387 297 3HG2 VAL 39 3HG2 VAL 39 0.563 -8.431 -7.949 298 H ARG 40 H ARG 40 -0.839 -12.488 -7.689 299 HA ARG 40 HA ARG 40 -1.602 -13.963 -10.119 300 1HB ARG 40 1HB ARG 40 -0.908 -15.418 -8.195 301 2HB ARG 40 2HB ARG 40 -2.273 -14.774 -7.287 302 1HG ARG 40 1HG ARG 40 -3.812 -15.653 -8.945 303 2HG ARG 40 2HG ARG 40 -2.458 -16.263 -9.896 304 1HD ARG 40 1HD ARG 40 -1.815 -17.633 -7.878 305 2HD ARG 40 2HD ARG 40 -3.365 -17.170 -7.173 306 HE ARG 40 HE ARG 40 -3.488 -18.327 -9.827 307 1HH1 ARG 40 1HH1 ARG 40 -3.608 -18.975 -6.380 308 2HH1 ARG 40 2HH1 ARG 40 -4.521 -20.441 -6.570 309 1HH2 ARG 40 1HH2 ARG 40 -4.656 -20.250 -10.067 310 2HH2 ARG 40 2HH2 ARG 40 -5.110 -21.169 -8.662 311 H TRP 41 H TRP 41 -3.481 -13.439 -10.988 312 HA TRP 41 HA TRP 41 -5.306 -11.652 -9.645 313 1HB TRP 41 1HB TRP 41 -6.015 -13.184 -12.130 314 2HB TRP 41 2HB TRP 41 -6.514 -11.570 -11.653 315 HD1 TRP 41 HD1 TRP 41 -4.164 -13.346 -13.867 316 HE1 TRP 41 HE1 TRP 41 -2.518 -11.699 -14.959 317 HE3 TRP 41 HE3 TRP 41 -5.055 -9.243 -10.946 318 HZ2 TRP 41 HZ2 TRP 41 -1.707 -9.020 -14.632 319 HZ3 TRP 41 HZ3 TRP 41 -3.802 -7.178 -11.409 320 HH2 TRP 41 HH2 TRP 41 -2.163 -7.071 -13.212 321 H LEU 42 H LEU 42 -6.224 -12.668 -7.896 322 HA LEU 42 HA LEU 42 -6.759 -15.486 -7.904 323 1HB LEU 42 1HB LEU 42 -7.848 -13.472 -5.954 324 2HB LEU 42 2HB LEU 42 -7.610 -15.189 -5.701 325 HG LEU 42 HG LEU 42 -5.500 -13.051 -5.867 326 1HD1 LEU 42 1HD1 LEU 42 -6.678 -13.241 -3.761 327 2HD1 LEU 42 2HD1 LEU 42 -5.023 -13.829 -3.600 328 3HD1 LEU 42 3HD1 LEU 42 -6.359 -14.975 -3.718 329 1HD2 LEU 42 1HD2 LEU 42 -5.141 -16.041 -5.693 330 2HD2 LEU 42 2HD2 LEU 42 -3.864 -14.834 -5.539 331 3HD2 LEU 42 3HD2 LEU 42 -4.719 -15.024 -7.071 332 H VAL 43 H VAL 43 -8.873 -12.658 -7.547 333 HA VAL 43 HA VAL 43 -11.218 -14.250 -7.794 334 HB VAL 43 HB VAL 43 -12.295 -11.913 -7.928 335 1HG1 VAL 43 1HG1 VAL 43 -12.357 -13.329 -5.959 336 2HG1 VAL 43 2HG1 VAL 43 -12.059 -11.654 -5.488 337 3HG1 VAL 43 3HG1 VAL 43 -10.728 -12.810 -5.522 338 1HG2 VAL 43 1HG2 VAL 43 -10.307 -10.649 -8.529 339 2HG2 VAL 43 2HG2 VAL 43 -9.515 -11.176 -7.044 340 3HG2 VAL 43 3HG2 VAL 43 -10.925 -10.121 -6.965 341 H ASN 44 H ASN 44 -9.078 -13.062 -10.026 342 HA ASN 44 HA ASN 44 -11.097 -12.971 -12.127 343 1HB ASN 44 1HB ASN 44 -8.138 -12.333 -12.220 344 2HB ASN 44 2HB ASN 44 -9.210 -12.273 -13.615 345 1HD2 ASN 44 1HD2 ASN 44 -8.188 -10.708 -10.727 346 2HD2 ASN 44 2HD2 ASN 44 -9.087 -9.252 -10.951 347 H GLY 45 H GLY 45 -7.841 -14.452 -11.782 348 1HA GLY 45 1HA GLY 45 -7.956 -16.950 -11.561 349 2HA GLY 45 2HA GLY 45 -9.005 -16.898 -12.964 350 H HIS 46 H HIS 46 -5.751 -15.666 -12.057 351 HA HIS 46 HA HIS 46 -4.461 -17.392 -13.924 352 1HB HIS 46 1HB HIS 46 -5.055 -14.644 -14.796 353 2HB HIS 46 2HB HIS 46 -3.391 -15.147 -15.016 354 HD1 HIS 46 HD1 HIS 46 -3.793 -18.042 -15.885 355 HD2 HIS 46 HD2 HIS 46 -6.058 -14.863 -17.315 356 HE1 HIS 46 HE1 HIS 46 -4.655 -18.781 -18.127 357 HE2 HIS 46 HE2 HIS 46 -5.783 -16.740 -19.080 358 H GLU 47 H GLU 47 -2.201 -17.301 -13.844 359 HA GLU 47 HA GLU 47 -1.083 -15.772 -11.579 360 1HB GLU 47 1HB GLU 47 -0.032 -18.328 -12.824 361 2HB GLU 47 2HB GLU 47 0.704 -17.466 -11.486 362 1HG GLU 47 1HG GLU 47 -0.385 -19.195 -10.441 363 2HG GLU 47 2HG GLU 47 -1.537 -17.872 -10.285 364 H THR 48 H THR 48 0.825 -14.560 -11.939 365 HA THR 48 HA THR 48 2.211 -14.680 -14.436 366 HB THR 48 HB THR 48 0.182 -13.636 -15.214 367 HG1 THR 48 HG1 THR 48 1.122 -11.792 -16.163 368 1HG2 THR 48 1HG2 THR 48 0.726 -11.479 -13.185 369 2HG2 THR 48 2HG2 THR 48 -0.615 -12.624 -13.159 370 3HG2 THR 48 3HG2 THR 48 -0.513 -11.411 -14.436 371 H THR 49 H THR 49 3.471 -12.529 -14.719 372 HA THR 49 HA THR 49 4.503 -11.628 -12.110 373 HB THR 49 HB THR 49 6.169 -12.116 -14.592 374 HG1 THR 49 HG1 THR 49 5.223 -13.944 -13.098 375 1HG2 THR 49 1HG2 THR 49 7.056 -10.353 -13.135 376 2HG2 THR 49 2HG2 THR 49 8.078 -11.789 -13.079 377 3HG2 THR 49 3HG2 THR 49 6.969 -11.445 -11.754 378 H VAL 50 H VAL 50 3.890 -9.555 -11.945 379 HA VAL 50 HA VAL 50 3.527 -8.033 -14.440 380 HB VAL 50 HB VAL 50 2.068 -7.725 -11.808 381 1HG1 VAL 50 1HG1 VAL 50 1.616 -6.289 -14.424 382 2HG1 VAL 50 2HG1 VAL 50 2.292 -5.576 -12.961 383 3HG1 VAL 50 3HG1 VAL 50 0.621 -6.139 -12.976 384 1HG2 VAL 50 1HG2 VAL 50 1.429 -9.739 -13.009 385 2HG2 VAL 50 2HG2 VAL 50 1.132 -8.790 -14.466 386 3HG2 VAL 50 3HG2 VAL 50 0.126 -8.552 -13.037 387 H TYR 51 H TYR 51 4.215 -5.956 -14.612 388 HA TYR 51 HA TYR 51 5.830 -4.842 -12.422 389 1HB TYR 51 1HB TYR 51 5.765 -4.132 -15.371 390 2HB TYR 51 2HB TYR 51 6.748 -3.314 -14.165 391 HD1 TYR 51 HD1 TYR 51 6.218 -6.600 -15.821 392 HD2 TYR 51 HD2 TYR 51 8.864 -4.113 -13.608 393 HE1 TYR 51 HE1 TYR 51 8.047 -8.193 -16.232 394 HE2 TYR 51 HE2 TYR 51 10.700 -5.696 -14.010 395 HH TYR 51 HH TYR 51 10.438 -8.297 -16.261 396 HA PRO 52 HA PRO 52 2.116 -2.179 -12.251 397 1HB PRO 52 1HB PRO 52 2.216 -1.687 -9.628 398 2HB PRO 52 2HB PRO 52 1.662 -3.249 -10.247 399 1HG PRO 52 1HG PRO 52 4.330 -2.503 -9.110 400 2HG PRO 52 2HG PRO 52 3.363 -3.960 -8.827 401 1HD PRO 52 1HD PRO 52 5.472 -3.825 -10.582 402 2HD PRO 52 2HD PRO 52 4.137 -4.987 -10.713 403 H GLY 53 H GLY 53 5.410 -1.675 -11.334 404 1HA GLY 53 1HA GLY 53 6.339 0.562 -12.003 405 2HA GLY 53 2HA GLY 53 4.998 1.232 -11.070 406 H SER 54 H SER 54 6.279 2.258 -9.498 407 HA SER 54 HA SER 54 7.374 0.346 -7.567 408 1HB SER 54 1HB SER 54 8.708 2.946 -8.337 409 2HB SER 54 2HB SER 54 9.255 1.849 -7.066 410 HG SER 54 HG SER 54 8.949 0.416 -9.267 411 H ASP 55 H ASP 55 4.958 2.105 -8.007 412 HA ASP 55 HA ASP 55 4.985 3.501 -5.414 413 1HB ASP 55 1HB ASP 55 3.063 4.769 -6.208 414 2HB ASP 55 2HB ASP 55 4.371 4.889 -7.379 415 H ALA 56 H ALA 56 4.629 0.634 -6.230 416 HA ALA 56 HA ALA 56 1.999 -0.213 -5.814 417 1HB ALA 56 1HB ALA 56 2.926 -2.434 -5.588 418 2HB ALA 56 2HB ALA 56 4.540 -1.764 -5.352 419 3HB ALA 56 3HB ALA 56 3.722 -1.571 -6.904 420 H VAL 57 H VAL 57 0.836 0.064 -4.071 421 HA VAL 57 HA VAL 57 2.079 -0.101 -1.421 422 HB VAL 57 HB VAL 57 0.586 1.814 -1.942 423 1HG1 VAL 57 1HG1 VAL 57 -1.587 -0.245 -1.964 424 2HG1 VAL 57 2HG1 VAL 57 -1.050 0.726 -3.335 425 3HG1 VAL 57 3HG1 VAL 57 -1.835 1.501 -1.960 426 1HG2 VAL 57 1HG2 VAL 57 -0.657 1.805 0.153 427 2HG2 VAL 57 2HG2 VAL 57 1.002 1.239 0.351 428 3HG2 VAL 57 3HG2 VAL 57 -0.325 0.079 0.317 429 H VAL 58 H VAL 58 0.359 -1.053 0.138 430 HA VAL 58 HA VAL 58 -0.132 -3.790 -0.866 431 HB VAL 58 HB VAL 58 0.884 -3.037 1.882 432 1HG1 VAL 58 1HG1 VAL 58 0.491 -5.725 0.582 433 2HG1 VAL 58 2HG1 VAL 58 -0.467 -5.054 1.903 434 3HG1 VAL 58 3HG1 VAL 58 1.235 -5.445 2.156 435 1HG2 VAL 58 1HG2 VAL 58 2.337 -4.312 -0.435 436 2HG2 VAL 58 2HG2 VAL 58 2.999 -4.028 1.174 437 3HG2 VAL 58 3HG2 VAL 58 2.569 -2.662 0.143 438 H VAL 59 H VAL 59 -2.133 -4.510 -0.642 439 HA VAL 59 HA VAL 59 -3.895 -3.309 1.370 440 HB VAL 59 HB VAL 59 -5.643 -4.159 -0.420 441 1HG1 VAL 59 1HG1 VAL 59 -5.515 -1.881 0.433 442 2HG1 VAL 59 2HG1 VAL 59 -5.741 -1.873 -1.316 443 3HG1 VAL 59 3HG1 VAL 59 -4.146 -1.556 -0.629 444 1HG2 VAL 59 1HG2 VAL 59 -4.037 -5.040 -1.980 445 2HG2 VAL 59 2HG2 VAL 59 -3.238 -3.470 -2.072 446 3HG2 VAL 59 3HG2 VAL 59 -4.876 -3.662 -2.696 447 H THR 60 H THR 60 -5.915 -4.780 1.594 448 HA THR 60 HA THR 60 -4.967 -7.551 2.020 449 HB THR 60 HB THR 60 -6.843 -7.379 3.900 450 HG1 THR 60 HG1 THR 60 -5.962 -4.683 3.853 451 1HG2 THR 60 1HG2 THR 60 -4.460 -7.785 4.305 452 2HG2 THR 60 2HG2 THR 60 -5.137 -6.673 5.495 453 3HG2 THR 60 3HG2 THR 60 -4.149 -6.054 4.173 454 H ALA 61 H ALA 61 -7.460 -8.639 2.804 455 HA ALA 61 HA ALA 61 -8.263 -9.596 0.325 456 1HB ALA 61 1HB ALA 61 -8.384 -10.843 2.431 457 2HB ALA 61 2HB ALA 61 -9.891 -10.893 1.515 458 3HB ALA 61 3HB ALA 61 -9.749 -9.840 2.923 459 H THR 62 H THR 62 -9.944 -7.187 2.372 460 HA THR 62 HA THR 62 -12.312 -7.258 0.772 461 HB THR 62 HB THR 62 -12.502 -4.852 1.943 462 HG1 THR 62 HG1 THR 62 -11.521 -5.351 4.139 463 1HG2 THR 62 1HG2 THR 62 -12.943 -7.520 3.278 464 2HG2 THR 62 2HG2 THR 62 -14.066 -6.694 2.197 465 3HG2 THR 62 3HG2 THR 62 -13.679 -5.995 3.767 466 H GLU 63 H GLU 63 -9.611 -4.986 0.976 467 HA GLU 63 HA GLU 63 -10.389 -3.312 -1.142 468 1HB GLU 63 1HB GLU 63 -7.579 -4.010 -0.268 469 2HB GLU 63 2HB GLU 63 -8.057 -2.601 -1.204 470 1HG GLU 63 1HG GLU 63 -8.824 -3.201 1.643 471 2HG GLU 63 2HG GLU 63 -7.657 -1.997 1.101 472 H HIS 64 H HIS 64 -9.376 -6.508 -1.088 473 HA HIS 64 HA HIS 64 -7.978 -6.598 -3.556 474 1HB HIS 64 1HB HIS 64 -7.260 -8.416 -2.515 475 2HB HIS 64 2HB HIS 64 -8.595 -8.374 -1.380 476 HD1 HIS 64 HD1 HIS 64 -10.278 -10.213 -1.570 477 HD2 HIS 64 HD2 HIS 64 -7.857 -9.934 -4.938 478 HE1 HIS 64 HE1 HIS 64 -10.748 -12.279 -2.918 479 HE2 HIS 64 HE2 HIS 64 -9.118 -12.178 -4.834 480 H ALA 65 H ALA 65 -11.369 -7.262 -2.686 481 HA ALA 65 HA ALA 65 -11.944 -8.889 -4.893 482 1HB ALA 65 1HB ALA 65 -14.280 -8.497 -4.353 483 2HB ALA 65 2HB ALA 65 -13.834 -7.116 -3.350 484 3HB ALA 65 3HB ALA 65 -13.338 -8.743 -2.882 485 H GLU 66 H GLU 66 -13.184 -5.621 -4.440 486 HA GLU 66 HA GLU 66 -14.096 -5.357 -7.079 487 1HB GLU 66 1HB GLU 66 -14.140 -2.828 -6.301 488 2HB GLU 66 2HB GLU 66 -15.259 -4.008 -5.636 489 1HG GLU 66 1HG GLU 66 -14.572 -3.065 -3.687 490 2HG GLU 66 2HG GLU 66 -13.301 -4.277 -3.843 491 H ALA 67 H ALA 67 -11.241 -4.041 -5.465 492 HA ALA 67 HA ALA 67 -10.186 -2.606 -7.593 493 1HB ALA 67 1HB ALA 67 -9.351 -2.458 -5.295 494 2HB ALA 67 2HB ALA 67 -8.056 -2.743 -6.457 495 3HB ALA 67 3HB ALA 67 -8.652 -4.069 -5.457 496 H GLU 68 H GLU 68 -9.759 -6.059 -6.773 497 HA GLU 68 HA GLU 68 -7.626 -6.397 -8.594 498 1HB GLU 68 1HB GLU 68 -8.242 -7.887 -6.625 499 2HB GLU 68 2HB GLU 68 -9.437 -8.615 -7.688 500 1HG GLU 68 1HG GLU 68 -7.828 -9.529 -9.084 501 2HG GLU 68 2HG GLU 68 -6.566 -8.441 -8.500 502 H LYS 69 H LYS 69 -11.142 -6.953 -8.954 503 HA LYS 69 HA LYS 69 -10.867 -8.100 -11.530 504 1HB LYS 69 1HB LYS 69 -13.271 -7.492 -11.861 505 2HB LYS 69 2HB LYS 69 -12.946 -8.402 -10.396 506 1HG LYS 69 1HG LYS 69 -13.030 -6.308 -9.110 507 2HG LYS 69 2HG LYS 69 -13.435 -5.443 -10.594 508 1HD LYS 69 1HD LYS 69 -15.466 -6.801 -10.821 509 2HD LYS 69 2HD LYS 69 -15.059 -7.651 -9.327 510 1HE LYS 69 1HE LYS 69 -15.168 -5.537 -8.100 511 2HE LYS 69 2HE LYS 69 -15.581 -4.692 -9.590 512 1HZ LYS 69 1HZ LYS 69 -17.603 -6.047 -9.720 513 2HZ LYS 69 2HZ LYS 69 -17.543 -5.115 -8.308 514 3HZ LYS 69 3HZ LYS 69 -17.210 -6.775 -8.237 515 H ARG 70 H ARG 70 -11.679 -4.703 -10.645 516 HA ARG 70 HA ARG 70 -11.731 -3.756 -13.320 517 1HB ARG 70 1HB ARG 70 -11.024 -2.234 -10.799 518 2HB ARG 70 2HB ARG 70 -11.464 -1.509 -12.337 519 1HG ARG 70 1HG ARG 70 -13.695 -2.304 -12.167 520 2HG ARG 70 2HG ARG 70 -13.287 -3.322 -10.782 521 1HD ARG 70 1HD ARG 70 -13.220 -0.303 -10.849 522 2HD ARG 70 2HD ARG 70 -14.450 -1.297 -10.067 523 HE ARG 70 HE ARG 70 -11.785 -1.856 -9.163 524 1HH1 ARG 70 1HH1 ARG 70 -14.537 0.274 -8.714 525 2HH1 ARG 70 2HH1 ARG 70 -14.158 0.593 -7.039 526 1HH2 ARG 70 1HH2 ARG 70 -11.303 -1.421 -6.980 527 2HH2 ARG 70 2HH2 ARG 70 -12.352 -0.397 -6.053 528 H ALA 71 H ALA 71 -9.182 -3.941 -10.949 529 HA ALA 71 HA ALA 71 -7.310 -2.452 -12.523 530 1HB ALA 71 1HB ALA 71 -7.391 -2.222 -10.106 531 2HB ALA 71 2HB ALA 71 -5.805 -2.772 -10.653 532 3HB ALA 71 3HB ALA 71 -6.936 -3.915 -9.927 533 H ALA 72 H ALA 72 -8.086 -5.834 -12.189 534 HA ALA 72 HA ALA 72 -5.589 -6.726 -13.268 535 1HB ALA 72 1HB ALA 72 -7.078 -8.305 -12.129 536 2HB ALA 72 2HB ALA 72 -6.715 -8.824 -13.776 537 3HB ALA 72 3HB ALA 72 -8.276 -8.092 -13.406 538 H ALA 73 H ALA 73 -8.692 -5.687 -14.560 539 HA ALA 73 HA ALA 73 -8.070 -6.113 -17.298 540 1HB ALA 73 1HB ALA 73 -9.908 -4.054 -16.077 541 2HB ALA 73 2HB ALA 73 -10.350 -5.703 -16.520 542 3HB ALA 73 3HB ALA 73 -9.887 -4.549 -17.770 543 H ARG 74 H ARG 74 -7.280 -3.562 -15.044 544 HA ARG 74 HA ARG 74 -6.206 -1.809 -17.072 545 1HB ARG 74 1HB ARG 74 -6.541 -1.749 -14.143 546 2HB ARG 74 2HB ARG 74 -5.203 -0.804 -14.784 547 1HG ARG 74 1HG ARG 74 -8.055 -0.570 -15.720 548 2HG ARG 74 2HG ARG 74 -7.291 0.488 -14.529 549 1HD ARG 74 1HD ARG 74 -5.669 1.222 -16.135 550 2HD ARG 74 2HD ARG 74 -6.247 0.056 -17.318 551 HE ARG 74 HE ARG 74 -8.434 1.591 -16.786 552 1HH1 ARG 74 1HH1 ARG 74 -5.159 2.208 -17.828 553 2HH1 ARG 74 2HH1 ARG 74 -5.563 3.631 -18.733 554 1HH2 ARG 74 1HH2 ARG 74 -8.998 3.458 -17.991 555 2HH2 ARG 74 2HH2 ARG 74 -7.760 4.352 -18.811 556 H ALA 75 H ALA 75 -4.680 -3.637 -14.411 557 HA ALA 75 HA ALA 75 -2.016 -2.880 -15.012 558 1HB ALA 75 1HB ALA 75 -1.364 -4.647 -13.473 559 2HB ALA 75 2HB ALA 75 -3.000 -5.305 -13.514 560 3HB ALA 75 3HB ALA 75 -2.710 -3.710 -12.822 561 H GLY 76 H GLY 76 -3.561 -6.071 -15.436 562 1HA GLY 76 1HA GLY 76 -1.333 -6.885 -17.122 563 2HA GLY 76 2HA GLY 76 -2.628 -7.917 -16.533 564 H HIS 77 H HIS 77 -2.873 -4.861 -18.277 565 HA HIS 77 HA HIS 77 -4.733 -5.999 -20.152 566 1HB HIS 77 1HB HIS 77 -4.692 -3.584 -19.228 567 2HB HIS 77 2HB HIS 77 -3.430 -3.295 -20.422 568 HD1 HIS 77 HD1 HIS 77 -7.075 -3.749 -20.037 569 HD2 HIS 77 HD2 HIS 77 -4.318 -3.405 -23.126 570 HE1 HIS 77 HE1 HIS 77 -8.434 -3.323 -22.109 571 HE2 HIS 77 HE2 HIS 77 -6.758 -3.365 -23.992 572 H ALA 78 H ALA 78 -1.370 -5.107 -20.081 573 HA ALA 78 HA ALA 78 -0.921 -6.715 -22.458 574 1HB ALA 78 1HB ALA 78 0.484 -5.033 -23.533 575 2HB ALA 78 2HB ALA 78 0.104 -3.882 -22.252 576 3HB ALA 78 3HB ALA 78 -1.165 -4.440 -23.343 577 H ALA 79 H ALA 79 -0.047 -8.141 -20.897 578 HA ALA 79 HA ALA 79 2.703 -7.453 -20.134 579 1HB ALA 79 1HB ALA 79 1.345 -7.022 -18.146 580 2HB ALA 79 2HB ALA 79 2.413 -8.404 -17.901 581 3HB ALA 79 3HB ALA 79 0.698 -8.660 -18.227 582 H THR 80 H THR 80 0.213 -9.963 -20.289 583 HA THR 80 HA THR 80 2.274 -11.929 -20.972 584 HB THR 80 HB THR 80 0.184 -13.507 -20.745 585 HG1 THR 80 HG1 THR 80 -1.546 -12.443 -20.147 586 1HG2 THR 80 1HG2 THR 80 2.147 -13.584 -19.292 587 2HG2 THR 80 2HG2 THR 80 0.667 -13.786 -18.354 588 3HG2 THR 80 3HG2 THR 80 1.512 -12.238 -18.347 Start of MODEL 19 1 H MET 1 H MET 1 9.394 1.016 -1.491 2 HA MET 1 HA MET 1 6.637 0.726 -0.460 3 1HB MET 1 1HB MET 1 6.965 1.191 -2.944 4 2HB MET 1 2HB MET 1 7.824 -0.337 -3.034 5 1HG MET 1 1HG MET 1 5.038 -0.214 -1.954 6 2HG MET 1 2HG MET 1 5.334 -0.239 -3.689 7 1HE MET 1 1HE MET 1 4.110 -3.887 -2.934 8 2HE MET 1 2HE MET 1 3.850 -2.440 -3.907 9 3HE MET 1 3HE MET 1 3.553 -2.398 -2.169 10 H HIS 2 H HIS 2 6.090 -1.359 0.198 11 HA HIS 2 HA HIS 2 8.220 -3.340 0.374 12 1HB HIS 2 1HB HIS 2 7.008 -1.924 2.685 13 2HB HIS 2 2HB HIS 2 7.232 -3.663 2.854 14 HD1 HIS 2 HD1 HIS 2 9.550 -4.468 3.383 15 HD2 HIS 2 HD2 HIS 2 9.502 -0.508 2.133 16 HE1 HIS 2 HE1 HIS 2 11.884 -3.620 3.746 17 HE2 HIS 2 HE2 HIS 2 11.887 -1.349 2.661 18 H ALA 3 H ALA 3 7.480 -5.484 0.566 19 HA ALA 3 HA ALA 3 4.651 -5.797 -0.134 20 1HB ALA 3 1HB ALA 3 6.939 -6.695 -1.882 21 2HB ALA 3 2HB ALA 3 5.872 -5.330 -2.208 22 3HB ALA 3 3HB ALA 3 5.222 -6.970 -2.188 23 H LYS 4 H LYS 4 3.814 -7.812 0.161 24 HA LYS 4 HA LYS 4 5.448 -9.809 1.556 25 1HB LYS 4 1HB LYS 4 2.826 -8.773 2.654 26 2HB LYS 4 2HB LYS 4 3.937 -9.892 3.425 27 1HG LYS 4 1HG LYS 4 4.701 -7.063 2.798 28 2HG LYS 4 2HG LYS 4 3.879 -7.511 4.291 29 1HD LYS 4 1HD LYS 4 5.708 -9.049 4.831 30 2HD LYS 4 2HD LYS 4 6.526 -8.593 3.333 31 1HE LYS 4 1HE LYS 4 7.382 -7.419 5.362 32 2HE LYS 4 2HE LYS 4 6.815 -6.346 4.085 33 1HZ LYS 4 1HZ LYS 4 5.290 -7.094 6.532 34 2HZ LYS 4 2HZ LYS 4 4.727 -6.082 5.296 35 3HZ LYS 4 3HZ LYS 4 6.042 -5.603 6.243 36 H VAL 5 H VAL 5 4.705 -11.890 1.230 37 HA VAL 5 HA VAL 5 2.756 -12.340 -0.817 38 HB VAL 5 HB VAL 5 4.271 -14.150 1.071 39 1HG1 VAL 5 1HG1 VAL 5 3.374 -16.098 -0.106 40 2HG1 VAL 5 2HG1 VAL 5 2.296 -15.053 -1.030 41 3HG1 VAL 5 3HG1 VAL 5 2.090 -15.210 0.714 42 1HG2 VAL 5 1HG2 VAL 5 4.339 -13.804 -1.911 43 2HG2 VAL 5 2HG2 VAL 5 5.331 -14.926 -0.981 44 3HG2 VAL 5 3HG2 VAL 5 5.519 -13.188 -0.755 45 H GLY 6 H GLY 6 0.642 -12.980 -0.691 46 1HA GLY 6 1HA GLY 6 -1.391 -13.558 0.387 47 2HA GLY 6 2HA GLY 6 -0.593 -13.358 1.946 48 H ASP 7 H ASP 7 -0.008 -11.107 -0.434 49 HA ASP 7 HA ASP 7 -1.692 -8.991 0.825 50 1HB ASP 7 1HB ASP 7 1.344 -9.060 0.793 51 2HB ASP 7 2HB ASP 7 0.470 -7.533 0.779 52 H TYR 8 H TYR 8 -1.699 -7.025 -0.573 53 HA TYR 8 HA TYR 8 -2.055 -8.026 -3.334 54 1HB TYR 8 1HB TYR 8 -4.104 -6.876 -1.392 55 2HB TYR 8 2HB TYR 8 -4.370 -6.971 -3.115 56 HD1 TYR 8 HD1 TYR 8 -4.374 -8.817 0.046 57 HD2 TYR 8 HD2 TYR 8 -4.926 -9.060 -4.162 58 HE1 TYR 8 HE1 TYR 8 -5.668 -10.901 0.323 59 HE2 TYR 8 HE2 TYR 8 -6.201 -11.144 -3.891 60 HH TYR 8 HH TYR 8 -6.271 -13.027 -2.027 61 H LEU 9 H LEU 9 -2.402 -6.102 -4.754 62 HA LEU 9 HA LEU 9 -0.988 -3.815 -3.543 63 1HB LEU 9 1HB LEU 9 0.683 -5.443 -4.186 64 2HB LEU 9 2HB LEU 9 -0.095 -5.721 -5.719 65 HG LEU 9 HG LEU 9 1.405 -3.185 -4.987 66 1HD1 LEU 9 1HD1 LEU 9 2.195 -5.521 -6.718 67 2HD1 LEU 9 2HD1 LEU 9 2.852 -5.159 -5.122 68 3HD1 LEU 9 3HD1 LEU 9 3.133 -4.051 -6.465 69 1HD2 LEU 9 1HD2 LEU 9 1.346 -2.707 -7.379 70 2HD2 LEU 9 2HD2 LEU 9 -0.294 -2.821 -6.738 71 3HD2 LEU 9 3HD2 LEU 9 0.389 -4.160 -7.661 72 H VAL 10 H VAL 10 -1.129 -1.998 -4.614 73 HA VAL 10 HA VAL 10 -3.037 -1.696 -6.817 74 HB VAL 10 HB VAL 10 -3.270 -0.041 -4.310 75 1HG1 VAL 10 1HG1 VAL 10 -5.172 -0.630 -6.565 76 2HG1 VAL 10 2HG1 VAL 10 -4.290 0.872 -6.284 77 3HG1 VAL 10 3HG1 VAL 10 -5.542 0.361 -5.154 78 1HG2 VAL 10 1HG2 VAL 10 -3.622 -2.329 -3.584 79 2HG2 VAL 10 2HG2 VAL 10 -4.809 -2.570 -4.865 80 3HG2 VAL 10 3HG2 VAL 10 -5.138 -1.426 -3.562 81 H VAL 11 H VAL 11 -2.578 0.127 -8.058 82 HA VAL 11 HA VAL 11 -0.732 2.121 -6.963 83 HB VAL 11 HB VAL 11 0.637 2.230 -8.928 84 1HG1 VAL 11 1HG1 VAL 11 0.396 -0.626 -8.002 85 2HG1 VAL 11 2HG1 VAL 11 1.374 0.643 -7.262 86 3HG1 VAL 11 3HG1 VAL 11 1.767 0.055 -8.877 87 1HG2 VAL 11 1HG2 VAL 11 -1.004 1.689 -10.613 88 2HG2 VAL 11 2HG2 VAL 11 -1.057 0.016 -10.055 89 3HG2 VAL 11 3HG2 VAL 11 0.416 0.656 -10.786 90 H LYS 12 H LYS 12 -1.120 4.176 -7.599 91 HA LYS 12 HA LYS 12 -3.583 4.944 -8.682 92 1HB LYS 12 1HB LYS 12 -2.224 6.463 -7.334 93 2HB LYS 12 2HB LYS 12 -0.965 6.465 -8.559 94 1HG LYS 12 1HG LYS 12 -2.619 7.493 -10.131 95 2HG LYS 12 2HG LYS 12 -3.724 7.645 -8.767 96 1HD LYS 12 1HD LYS 12 -0.947 8.778 -8.652 97 2HD LYS 12 2HD LYS 12 -2.264 9.670 -9.406 98 1HE LYS 12 1HE LYS 12 -2.120 10.443 -7.178 99 2HE LYS 12 2HE LYS 12 -3.538 9.404 -7.254 100 1HZ LYS 12 1HZ LYS 12 -2.223 9.026 -5.256 101 2HZ LYS 12 2HZ LYS 12 -0.873 8.604 -6.196 102 3HZ LYS 12 3HZ LYS 12 -2.262 7.638 -6.228 103 H GLY 13 H GLY 13 -4.231 4.326 -10.664 104 1HA GLY 13 1HA GLY 13 -2.323 3.889 -12.788 105 2HA GLY 13 2HA GLY 13 -4.052 3.593 -12.859 106 H THR 14 H THR 14 -1.875 6.384 -12.488 107 HA THR 14 HA THR 14 -1.728 8.380 -13.563 108 HB THR 14 HB THR 14 -3.430 7.300 -15.805 109 HG1 THR 14 HG1 THR 14 -0.648 6.789 -15.345 110 1HG2 THR 14 1HG2 THR 14 -1.887 8.633 -17.184 111 2HG2 THR 14 2HG2 THR 14 -1.021 9.129 -15.729 112 3HG2 THR 14 3HG2 THR 14 -2.695 9.630 -15.974 113 H THR 15 H THR 15 -4.215 7.469 -11.993 114 HA THR 15 HA THR 15 -5.552 9.997 -12.149 115 HB THR 15 HB THR 15 -6.752 8.830 -13.943 116 HG1 THR 15 HG1 THR 15 -7.848 10.106 -12.031 117 1HG2 THR 15 1HG2 THR 15 -7.448 6.776 -11.841 118 2HG2 THR 15 2HG2 THR 15 -6.403 6.523 -13.237 119 3HG2 THR 15 3HG2 THR 15 -8.120 6.848 -13.472 120 H THR 16 H THR 16 -6.568 10.485 -10.237 121 HA THR 16 HA THR 16 -6.149 8.521 -8.105 122 HB THR 16 HB THR 16 -4.993 10.605 -7.734 123 HG1 THR 16 HG1 THR 16 -7.280 10.447 -6.035 124 1HG2 THR 16 1HG2 THR 16 -6.192 12.734 -7.443 125 2HG2 THR 16 2HG2 THR 16 -7.690 11.951 -7.947 126 3HG2 THR 16 3HG2 THR 16 -6.348 12.106 -9.082 127 H GLU 17 H GLU 17 -8.306 8.020 -9.688 128 HA GLU 17 HA GLU 17 -10.543 8.630 -7.873 129 1HB GLU 17 1HB GLU 17 -10.769 9.378 -10.291 130 2HB GLU 17 2HB GLU 17 -10.764 7.679 -10.737 131 1HG GLU 17 1HG GLU 17 -12.755 8.790 -8.791 132 2HG GLU 17 2HG GLU 17 -13.013 8.876 -10.530 133 H ARG 18 H ARG 18 -9.803 6.107 -10.267 134 HA ARG 18 HA ARG 18 -10.632 4.096 -8.332 135 1HB ARG 18 1HB ARG 18 -11.031 4.298 -11.032 136 2HB ARG 18 2HB ARG 18 -9.660 3.201 -10.964 137 1HG ARG 18 1HG ARG 18 -11.748 1.969 -11.020 138 2HG ARG 18 2HG ARG 18 -10.922 1.720 -9.478 139 1HD ARG 18 1HD ARG 18 -12.363 3.356 -8.416 140 2HD ARG 18 2HD ARG 18 -13.147 3.696 -9.956 141 HE ARG 18 HE ARG 18 -13.362 0.937 -9.329 142 1HH1 ARG 18 1HH1 ARG 18 -14.619 4.076 -8.397 143 2HH1 ARG 18 2HH1 ARG 18 -16.152 3.448 -7.880 144 1HH2 ARG 18 1HH2 ARG 18 -15.409 0.119 -8.655 145 2HH2 ARG 18 2HH2 ARG 18 -16.598 1.223 -8.021 146 H HIS 19 H HIS 19 -9.071 3.588 -6.923 147 HA HIS 19 HA HIS 19 -6.302 3.473 -7.487 148 1HB HIS 19 1HB HIS 19 -7.966 2.052 -5.387 149 2HB HIS 19 2HB HIS 19 -6.206 2.005 -5.437 150 HD1 HIS 19 HD1 HIS 19 -9.032 4.017 -4.232 151 HD2 HIS 19 HD2 HIS 19 -4.979 4.590 -4.990 152 HE1 HIS 19 HE1 HIS 19 -8.414 6.153 -3.056 153 HE2 HIS 19 HE2 HIS 19 -5.985 6.537 -3.624 154 H ASP 20 H ASP 20 -5.269 2.057 -8.825 155 HA ASP 20 HA ASP 20 -6.939 -0.195 -9.728 156 1HB ASP 20 1HB ASP 20 -6.760 2.039 -11.120 157 2HB ASP 20 2HB ASP 20 -5.239 1.328 -11.650 158 H GLN 21 H GLN 21 -5.252 -1.170 -11.692 159 HA GLN 21 HA GLN 21 -3.847 -2.954 -11.782 160 1HB GLN 21 1HB GLN 21 -2.000 -0.864 -10.627 161 2HB GLN 21 2HB GLN 21 -1.468 -2.377 -11.351 162 1HG GLN 21 1HG GLN 21 -2.583 -1.685 -13.465 163 2HG GLN 21 2HG GLN 21 -2.921 -0.125 -12.720 164 1HE2 GLN 21 1HE2 GLN 21 -1.696 0.956 -14.277 165 2HE2 GLN 21 2HE2 GLN 21 0.029 0.907 -14.279 166 H HIS 22 H HIS 22 -4.600 -4.554 -10.417 167 HA HIS 22 HA HIS 22 -3.547 -4.557 -7.684 168 1HB HIS 22 1HB HIS 22 -5.782 -3.467 -7.653 169 2HB HIS 22 2HB HIS 22 -6.479 -4.948 -8.294 170 HD1 HIS 22 HD1 HIS 22 -5.640 -7.140 -6.605 171 HD2 HIS 22 HD2 HIS 22 -6.182 -3.340 -5.012 172 HE1 HIS 22 HE1 HIS 22 -5.959 -7.477 -4.149 173 HE2 HIS 22 HE2 HIS 22 -6.185 -5.165 -3.189 174 H ALA 23 H ALA 23 -2.608 -6.308 -7.359 175 HA ALA 23 HA ALA 23 -3.824 -8.948 -8.003 176 1HB ALA 23 1HB ALA 23 -2.274 -8.503 -9.879 177 2HB ALA 23 2HB ALA 23 -1.746 -9.850 -8.873 178 3HB ALA 23 3HB ALA 23 -0.956 -8.280 -8.729 179 H GLU 24 H GLU 24 -2.206 -10.616 -6.982 180 HA GLU 24 HA GLU 24 -1.447 -9.594 -4.320 181 1HB GLU 24 1HB GLU 24 -3.728 -10.617 -4.257 182 2HB GLU 24 2HB GLU 24 -3.022 -12.127 -4.804 183 1HG GLU 24 1HG GLU 24 -1.776 -10.972 -2.410 184 2HG GLU 24 2HG GLU 24 -3.454 -11.465 -2.215 185 H ILE 25 H ILE 25 0.419 -10.194 -3.735 186 HA ILE 25 HA ILE 25 1.951 -11.924 -5.439 187 HB ILE 25 HB ILE 25 3.699 -11.284 -3.497 188 1HG1 ILE 25 1HG1 ILE 25 1.608 -9.104 -3.505 189 2HG1 ILE 25 2HG1 ILE 25 2.170 -10.038 -2.124 190 1HG2 ILE 25 1HG2 ILE 25 4.392 -9.416 -4.937 191 2HG2 ILE 25 2HG2 ILE 25 2.861 -9.548 -5.807 192 3HG2 ILE 25 3HG2 ILE 25 4.017 -10.880 -5.847 193 1HD1 ILE 25 1HD1 ILE 25 3.075 -7.796 -2.091 194 2HD1 ILE 25 2HD1 ILE 25 3.784 -8.041 -3.687 195 3HD1 ILE 25 3HD1 ILE 25 4.362 -8.981 -2.310 196 H ILE 26 H ILE 26 1.811 -13.968 -5.207 197 HA ILE 26 HA ILE 26 1.906 -15.191 -2.552 198 HB ILE 26 HB ILE 26 1.467 -17.312 -3.590 199 1HG1 ILE 26 1HG1 ILE 26 2.901 -16.827 -5.661 200 2HG1 ILE 26 2HG1 ILE 26 1.423 -17.733 -5.942 201 1HG2 ILE 26 1HG2 ILE 26 -0.492 -15.881 -3.262 202 2HG2 ILE 26 2HG2 ILE 26 -0.701 -16.882 -4.699 203 3HG2 ILE 26 3HG2 ILE 26 -0.276 -15.179 -4.866 204 1HD1 ILE 26 1HD1 ILE 26 1.825 -14.801 -6.471 205 2HD1 ILE 26 2HD1 ILE 26 0.337 -15.706 -6.753 206 3HD1 ILE 26 3HD1 ILE 26 1.792 -16.090 -7.674 207 H GLU 27 H GLU 27 3.833 -14.036 -4.971 208 HA GLU 27 HA GLU 27 6.170 -15.392 -3.870 209 1HB GLU 27 1HB GLU 27 5.229 -16.182 -6.276 210 2HB GLU 27 2HB GLU 27 6.216 -14.820 -6.787 211 1HG GLU 27 1HG GLU 27 7.139 -17.232 -5.241 212 2HG GLU 27 2HG GLU 27 7.472 -16.874 -6.932 213 H VAL 28 H VAL 28 7.740 -13.999 -3.413 214 HA VAL 28 HA VAL 28 7.516 -11.241 -4.357 215 HB VAL 28 HB VAL 28 7.504 -12.105 -1.460 216 1HG1 VAL 28 1HG1 VAL 28 9.099 -10.276 -1.733 217 2HG1 VAL 28 2HG1 VAL 28 7.660 -9.740 -0.867 218 3HG1 VAL 28 3HG1 VAL 28 7.873 -9.322 -2.567 219 1HG2 VAL 28 1HG2 VAL 28 5.624 -10.379 -3.061 220 2HG2 VAL 28 2HG2 VAL 28 5.482 -10.737 -1.338 221 3HG2 VAL 28 3HG2 VAL 28 5.322 -12.032 -2.525 222 H ARG 29 H ARG 29 9.434 -11.193 -5.359 223 HA ARG 29 HA ARG 29 11.799 -12.287 -4.020 224 1HB ARG 29 1HB ARG 29 12.814 -12.123 -6.333 225 2HB ARG 29 2HB ARG 29 11.510 -13.285 -6.149 226 1HG ARG 29 1HG ARG 29 9.975 -11.468 -7.059 227 2HG ARG 29 2HG ARG 29 11.453 -10.619 -7.523 228 1HD ARG 29 1HD ARG 29 10.571 -11.954 -9.376 229 2HD ARG 29 2HD ARG 29 12.151 -12.539 -8.854 230 HE ARG 29 HE ARG 29 10.172 -13.970 -7.465 231 1HH1 ARG 29 1HH1 ARG 29 11.333 -13.635 -10.769 232 2HH1 ARG 29 2HH1 ARG 29 10.958 -15.284 -11.185 233 1HH2 ARG 29 1HH2 ARG 29 9.673 -16.077 -8.007 234 2HH2 ARG 29 2HH2 ARG 29 10.009 -16.687 -9.606 235 H SER 30 H SER 30 10.389 -9.660 -3.672 236 HA SER 30 HA SER 30 12.647 -7.869 -4.215 237 1HB SER 30 1HB SER 30 9.864 -7.049 -3.375 238 2HB SER 30 2HB SER 30 11.102 -6.063 -4.159 239 HG SER 30 HG SER 30 10.416 -6.744 -6.026 240 H ALA 31 H ALA 31 13.975 -7.753 -2.498 241 HA ALA 31 HA ALA 31 13.259 -8.563 0.115 242 1HB ALA 31 1HB ALA 31 15.562 -8.618 -0.668 243 2HB ALA 31 2HB ALA 31 15.429 -7.629 0.785 244 3HB ALA 31 3HB ALA 31 15.577 -6.860 -0.793 245 H ASP 32 H ASP 32 13.453 -5.427 -1.445 246 HA ASP 32 HA ASP 32 12.517 -4.103 0.982 247 1HB ASP 32 1HB ASP 32 14.362 -3.037 -0.259 248 2HB ASP 32 2HB ASP 32 13.341 -2.937 -1.690 249 H GLY 33 H GLY 33 11.659 -4.310 -2.461 250 1HA GLY 33 1HA GLY 33 9.127 -4.775 -2.674 251 2HA GLY 33 2HA GLY 33 8.999 -3.262 -1.783 252 H SER 34 H SER 34 10.523 -4.634 -4.669 253 HA SER 34 HA SER 34 9.615 -2.376 -6.240 254 1HB SER 34 1HB SER 34 11.863 -1.727 -5.310 255 2HB SER 34 2HB SER 34 12.553 -3.114 -6.147 256 HG SER 34 HG SER 34 12.306 -0.752 -7.126 257 HA PRO 35 HA PRO 35 8.743 -5.529 -9.184 258 1HB PRO 35 1HB PRO 35 9.550 -4.128 -11.479 259 2HB PRO 35 2HB PRO 35 7.940 -4.120 -10.757 260 1HG PRO 35 1HG PRO 35 10.159 -2.151 -10.463 261 2HG PRO 35 2HG PRO 35 8.408 -1.875 -10.533 262 1HD PRO 35 1HD PRO 35 9.726 -1.741 -8.217 263 2HD PRO 35 2HD PRO 35 8.104 -2.462 -8.301 264 HA PRO 36 HA PRO 36 8.644 -6.646 -11.012 265 1HB PRO 36 1HB PRO 36 8.996 -9.196 -11.689 266 2HB PRO 36 2HB PRO 36 9.650 -7.893 -12.692 267 1HG PRO 36 1HG PRO 36 11.044 -9.645 -10.713 268 2HG PRO 36 2HG PRO 36 11.597 -9.095 -12.305 269 1HD PRO 36 1HD PRO 36 12.318 -7.956 -9.885 270 2HD PRO 36 2HD PRO 36 12.415 -7.149 -11.461 271 H TYR 37 H TYR 37 7.217 -8.605 -10.559 272 HA TYR 37 HA TYR 37 7.605 -9.807 -7.912 273 1HB TYR 37 1HB TYR 37 5.159 -8.318 -8.868 274 2HB TYR 37 2HB TYR 37 5.138 -9.438 -7.512 275 HD1 TYR 37 HD1 TYR 37 5.758 -6.075 -8.562 276 HD2 TYR 37 HD2 TYR 37 6.630 -8.913 -5.521 277 HE1 TYR 37 HE1 TYR 37 6.407 -4.245 -7.049 278 HE2 TYR 37 HE2 TYR 37 7.277 -7.097 -4.001 279 HH TYR 37 HH TYR 37 6.564 -3.874 -4.564 280 H VAL 38 H VAL 38 5.916 -11.617 -7.633 281 HA VAL 38 HA VAL 38 4.867 -12.512 -10.222 282 HB VAL 38 HB VAL 38 6.362 -14.336 -8.314 283 1HG1 VAL 38 1HG1 VAL 38 4.690 -15.036 -10.741 284 2HG1 VAL 38 2HG1 VAL 38 4.244 -15.357 -9.065 285 3HG1 VAL 38 3HG1 VAL 38 5.637 -16.172 -9.780 286 1HG2 VAL 38 1HG2 VAL 38 6.752 -13.700 -11.243 287 2HG2 VAL 38 2HG2 VAL 38 7.691 -14.871 -10.316 288 3HG2 VAL 38 3HG2 VAL 38 7.783 -13.154 -9.920 289 H VAL 39 H VAL 39 2.857 -12.962 -10.059 290 HA VAL 39 HA VAL 39 1.726 -12.463 -7.421 291 HB VAL 39 HB VAL 39 2.628 -10.441 -8.994 292 1HG1 VAL 39 1HG1 VAL 39 0.752 -9.339 -10.084 293 2HG1 VAL 39 2HG1 VAL 39 -0.254 -10.751 -9.766 294 3HG1 VAL 39 3HG1 VAL 39 1.149 -10.888 -10.825 295 1HG2 VAL 39 1HG2 VAL 39 0.233 -10.311 -7.198 296 2HG2 VAL 39 2HG2 VAL 39 1.185 -8.931 -7.748 297 3HG2 VAL 39 3HG2 VAL 39 1.926 -10.164 -6.728 298 H ARG 40 H ARG 40 -0.718 -12.348 -7.701 299 HA ARG 40 HA ARG 40 -1.531 -14.051 -9.933 300 1HB ARG 40 1HB ARG 40 -0.845 -15.419 -7.951 301 2HB ARG 40 2HB ARG 40 -2.119 -14.642 -7.030 302 1HG ARG 40 1HG ARG 40 -3.801 -15.635 -8.430 303 2HG ARG 40 2HG ARG 40 -2.562 -16.299 -9.499 304 1HD ARG 40 1HD ARG 40 -1.723 -17.705 -7.730 305 2HD ARG 40 2HD ARG 40 -2.830 -16.971 -6.572 306 HE ARG 40 HE ARG 40 -4.604 -17.924 -8.186 307 1HH1 ARG 40 1HH1 ARG 40 -1.553 -19.446 -7.381 308 2HH1 ARG 40 2HH1 ARG 40 -2.144 -21.062 -7.633 309 1HH2 ARG 40 1HH2 ARG 40 -5.400 -20.013 -8.478 310 2HH2 ARG 40 2HH2 ARG 40 -4.356 -21.389 -8.246 311 H TRP 41 H TRP 41 -3.346 -13.388 -10.784 312 HA TRP 41 HA TRP 41 -4.906 -11.384 -9.397 313 1HB TRP 41 1HB TRP 41 -4.814 -12.382 -12.225 314 2HB TRP 41 2HB TRP 41 -6.228 -11.494 -11.652 315 HD1 TRP 41 HD1 TRP 41 -5.156 -9.234 -10.048 316 HE1 TRP 41 HE1 TRP 41 -3.674 -7.384 -11.008 317 HE3 TRP 41 HE3 TRP 41 -3.286 -11.745 -14.050 318 HZ2 TRP 41 HZ2 TRP 41 -1.901 -7.043 -13.162 319 HZ3 TRP 41 HZ3 TRP 41 -1.670 -10.585 -15.474 320 HH2 TRP 41 HH2 TRP 41 -0.997 -8.290 -15.066 321 H LEU 42 H LEU 42 -5.766 -12.471 -7.791 322 HA LEU 42 HA LEU 42 -6.501 -15.186 -7.889 323 1HB LEU 42 1HB LEU 42 -7.646 -13.292 -5.881 324 2HB LEU 42 2HB LEU 42 -7.168 -14.965 -5.672 325 HG LEU 42 HG LEU 42 -5.349 -12.579 -5.937 326 1HD1 LEU 42 1HD1 LEU 42 -4.656 -13.255 -3.703 327 2HD1 LEU 42 2HD1 LEU 42 -5.889 -14.516 -3.717 328 3HD1 LEU 42 3HD1 LEU 42 -6.361 -12.818 -3.783 329 1HD2 LEU 42 1HD2 LEU 42 -4.373 -14.473 -7.114 330 2HD2 LEU 42 2HD2 LEU 42 -4.619 -15.489 -5.693 331 3HD2 LEU 42 3HD2 LEU 42 -3.503 -14.124 -5.620 332 H VAL 43 H VAL 43 -8.629 -12.381 -7.401 333 HA VAL 43 HA VAL 43 -10.984 -13.867 -7.592 334 HB VAL 43 HB VAL 43 -11.947 -11.470 -8.139 335 1HG1 VAL 43 1HG1 VAL 43 -11.967 -11.043 -5.729 336 2HG1 VAL 43 2HG1 VAL 43 -10.679 -12.230 -5.520 337 3HG1 VAL 43 3HG1 VAL 43 -12.270 -12.746 -6.079 338 1HG2 VAL 43 1HG2 VAL 43 -10.552 -9.708 -7.197 339 2HG2 VAL 43 2HG2 VAL 43 -9.757 -10.446 -8.587 340 3HG2 VAL 43 3HG2 VAL 43 -9.247 -10.866 -6.953 341 H ASN 44 H ASN 44 -9.103 -12.187 -10.043 342 HA ASN 44 HA ASN 44 -10.810 -12.690 -12.203 343 1HB ASN 44 1HB ASN 44 -7.828 -12.389 -12.011 344 2HB ASN 44 2HB ASN 44 -8.590 -12.809 -13.540 345 1HD2 ASN 44 1HD2 ASN 44 -10.047 -10.713 -11.145 346 2HD2 ASN 44 2HD2 ASN 44 -9.936 -9.267 -12.072 347 H GLY 45 H GLY 45 -7.925 -14.565 -11.273 348 1HA GLY 45 1HA GLY 45 -8.242 -16.994 -10.904 349 2HA GLY 45 2HA GLY 45 -9.258 -16.979 -12.337 350 H HIS 46 H HIS 46 -6.132 -15.339 -11.893 351 HA HIS 46 HA HIS 46 -4.890 -17.243 -13.745 352 1HB HIS 46 1HB HIS 46 -5.862 -15.176 -14.941 353 2HB HIS 46 2HB HIS 46 -4.566 -14.276 -14.166 354 HD1 HIS 46 HD1 HIS 46 -4.984 -17.265 -16.486 355 HD2 HIS 46 HD2 HIS 46 -2.254 -14.252 -15.593 356 HE1 HIS 46 HE1 HIS 46 -3.137 -17.495 -18.179 357 HE2 HIS 46 HE2 HIS 46 -1.655 -15.494 -17.784 358 H GLU 47 H GLU 47 -2.446 -16.728 -13.930 359 HA GLU 47 HA GLU 47 -1.355 -15.611 -11.437 360 1HB GLU 47 1HB GLU 47 -0.351 -18.209 -12.612 361 2HB GLU 47 2HB GLU 47 0.108 -17.480 -11.084 362 1HG GLU 47 1HG GLU 47 -1.277 -19.058 -10.282 363 2HG GLU 47 2HG GLU 47 -2.494 -17.824 -10.612 364 H THR 48 H THR 48 0.467 -14.435 -11.761 365 HA THR 48 HA THR 48 1.531 -14.336 -14.481 366 HB THR 48 HB THR 48 -0.390 -12.940 -14.518 367 HG1 THR 48 HG1 THR 48 1.218 -10.796 -14.463 368 1HG2 THR 48 1HG2 THR 48 -0.659 -10.960 -13.088 369 2HG2 THR 48 2HG2 THR 48 0.773 -11.444 -12.181 370 3HG2 THR 48 3HG2 THR 48 -0.667 -12.462 -12.159 371 H THR 49 H THR 49 3.064 -12.370 -14.620 372 HA THR 49 HA THR 49 4.618 -11.883 -12.183 373 HB THR 49 HB THR 49 5.805 -12.639 -14.877 374 HG1 THR 49 HG1 THR 49 5.054 -14.141 -12.762 375 1HG2 THR 49 1HG2 THR 49 7.978 -12.515 -13.757 376 2HG2 THR 49 2HG2 THR 49 7.189 -12.004 -12.265 377 3HG2 THR 49 3HG2 THR 49 7.150 -10.959 -13.685 378 H VAL 50 H VAL 50 4.973 -9.651 -12.041 379 HA VAL 50 HA VAL 50 4.154 -8.117 -14.419 380 HB VAL 50 HB VAL 50 2.163 -8.848 -13.002 381 1HG1 VAL 50 1HG1 VAL 50 1.656 -7.483 -11.029 382 2HG1 VAL 50 2HG1 VAL 50 3.259 -6.752 -11.137 383 3HG1 VAL 50 3HG1 VAL 50 3.096 -8.477 -10.805 384 1HG2 VAL 50 1HG2 VAL 50 1.006 -6.702 -13.257 385 2HG2 VAL 50 2HG2 VAL 50 1.980 -7.095 -14.674 386 3HG2 VAL 50 3HG2 VAL 50 2.556 -5.900 -13.512 387 H TYR 51 H TYR 51 4.063 -5.724 -13.884 388 HA TYR 51 HA TYR 51 6.093 -4.855 -11.958 389 1HB TYR 51 1HB TYR 51 5.978 -3.911 -14.843 390 2HB TYR 51 2HB TYR 51 7.138 -3.408 -13.625 391 HD1 TYR 51 HD1 TYR 51 9.142 -4.611 -13.296 392 HD2 TYR 51 HD2 TYR 51 6.061 -6.283 -15.708 393 HE1 TYR 51 HE1 TYR 51 10.697 -6.350 -14.076 394 HE2 TYR 51 HE2 TYR 51 7.603 -8.026 -16.485 395 HH TYR 51 HH TYR 51 10.747 -8.477 -15.065 396 HA PRO 52 HA PRO 52 2.251 -2.404 -11.388 397 1HB PRO 52 1HB PRO 52 3.826 -1.460 -9.068 398 2HB PRO 52 2HB PRO 52 2.198 -2.141 -9.125 399 1HG PRO 52 1HG PRO 52 4.238 -3.556 -8.157 400 2HG PRO 52 2HG PRO 52 2.972 -4.328 -9.130 401 1HD PRO 52 1HD PRO 52 5.739 -3.506 -9.927 402 2HD PRO 52 2HD PRO 52 4.833 -4.975 -10.351 403 H GLY 53 H GLY 53 1.806 -0.115 -11.202 404 1HA GLY 53 1HA GLY 53 3.751 1.465 -12.660 405 2HA GLY 53 2HA GLY 53 2.101 1.931 -12.276 406 H SER 54 H SER 54 2.254 3.816 -11.261 407 HA SER 54 HA SER 54 4.353 4.212 -9.261 408 1HB SER 54 1HB SER 54 4.180 5.929 -11.013 409 2HB SER 54 2HB SER 54 2.492 6.208 -10.586 410 HG SER 54 HG SER 54 3.078 7.193 -8.754 411 H ASP 55 H ASP 55 3.753 5.322 -7.251 412 HA ASP 55 HA ASP 55 2.566 5.529 -5.322 413 1HB ASP 55 1HB ASP 55 0.193 5.467 -7.204 414 2HB ASP 55 2HB ASP 55 0.112 5.901 -5.500 415 H ALA 56 H ALA 56 3.490 3.093 -5.765 416 HA ALA 56 HA ALA 56 1.517 1.042 -5.760 417 1HB ALA 56 1HB ALA 56 3.350 -0.498 -5.416 418 2HB ALA 56 2HB ALA 56 4.434 0.835 -5.021 419 3HB ALA 56 3HB ALA 56 3.780 0.684 -6.652 420 H VAL 57 H VAL 57 0.492 0.124 -4.129 421 HA VAL 57 HA VAL 57 1.356 0.578 -1.354 422 HB VAL 57 HB VAL 57 -0.954 1.074 -0.665 423 1HG1 VAL 57 1HG1 VAL 57 0.589 2.920 -0.993 424 2HG1 VAL 57 2HG1 VAL 57 -1.047 3.394 -1.458 425 3HG1 VAL 57 3HG1 VAL 57 0.148 3.010 -2.699 426 1HG2 VAL 57 1HG2 VAL 57 -1.521 1.274 -3.620 427 2HG2 VAL 57 2HG2 VAL 57 -2.627 1.737 -2.328 428 3HG2 VAL 57 3HG2 VAL 57 -2.150 0.049 -2.518 429 H VAL 58 H VAL 58 -0.386 -0.615 0.044 430 HA VAL 58 HA VAL 58 -0.786 -3.298 -1.083 431 HB VAL 58 HB VAL 58 0.644 -2.753 1.532 432 1HG1 VAL 58 1HG1 VAL 58 -0.725 -4.742 1.693 433 2HG1 VAL 58 2HG1 VAL 58 0.978 -5.194 1.604 434 3HG1 VAL 58 3HG1 VAL 58 -0.055 -5.358 0.183 435 1HG2 VAL 58 1HG2 VAL 58 2.080 -2.326 -0.391 436 2HG2 VAL 58 2HG2 VAL 58 1.695 -3.918 -1.042 437 3HG2 VAL 58 3HG2 VAL 58 2.592 -3.778 0.470 438 H VAL 59 H VAL 59 -2.519 -4.315 -0.380 439 HA VAL 59 HA VAL 59 -4.121 -3.326 1.809 440 HB VAL 59 HB VAL 59 -6.003 -3.792 0.259 441 1HG1 VAL 59 1HG1 VAL 59 -4.156 -1.599 -0.590 442 2HG1 VAL 59 2HG1 VAL 59 -5.362 -1.497 0.694 443 3HG1 VAL 59 3HG1 VAL 59 -5.872 -1.681 -0.984 444 1HG2 VAL 59 1HG2 VAL 59 -4.885 -5.186 -1.348 445 2HG2 VAL 59 2HG2 VAL 59 -3.896 -3.812 -1.845 446 3HG2 VAL 59 3HG2 VAL 59 -5.633 -3.799 -2.140 447 H THR 60 H THR 60 -5.989 -4.986 2.015 448 HA THR 60 HA THR 60 -4.802 -7.704 2.037 449 HB THR 60 HB THR 60 -6.938 -7.802 3.770 450 HG1 THR 60 HG1 THR 60 -6.514 -5.172 3.337 451 1HG2 THR 60 1HG2 THR 60 -5.327 -7.523 5.572 452 2HG2 THR 60 2HG2 THR 60 -4.172 -6.832 4.431 453 3HG2 THR 60 3HG2 THR 60 -4.673 -8.516 4.269 454 H ALA 61 H ALA 61 -7.141 -9.121 2.594 455 HA ALA 61 HA ALA 61 -8.012 -9.820 0.079 456 1HB ALA 61 1HB ALA 61 -9.427 -10.339 2.682 457 2HB ALA 61 2HB ALA 61 -8.062 -11.267 2.057 458 3HB ALA 61 3HB ALA 61 -9.597 -11.259 1.186 459 H THR 62 H THR 62 -9.806 -7.810 2.461 460 HA THR 62 HA THR 62 -12.212 -7.725 0.998 461 HB THR 62 HB THR 62 -12.189 -5.267 2.096 462 HG1 THR 62 HG1 THR 62 -11.155 -5.816 4.268 463 1HG2 THR 62 1HG2 THR 62 -13.387 -6.296 3.982 464 2HG2 THR 62 2HG2 THR 62 -12.795 -7.879 3.478 465 3HG2 THR 62 3HG2 THR 62 -13.883 -6.969 2.430 466 H GLU 63 H GLU 63 -9.662 -5.321 1.190 467 HA GLU 63 HA GLU 63 -10.631 -3.539 -0.728 468 1HB GLU 63 1HB GLU 63 -7.731 -4.103 -0.063 469 2HB GLU 63 2HB GLU 63 -8.399 -2.596 -0.673 470 1HG GLU 63 1HG GLU 63 -9.420 -2.081 1.367 471 2HG GLU 63 2HG GLU 63 -9.295 -3.738 1.952 472 H HIS 64 H HIS 64 -8.898 -6.491 -0.947 473 HA HIS 64 HA HIS 64 -7.900 -6.409 -3.520 474 1HB HIS 64 1HB HIS 64 -7.053 -8.276 -2.726 475 2HB HIS 64 2HB HIS 64 -8.243 -8.330 -1.442 476 HD1 HIS 64 HD1 HIS 64 -7.558 -9.658 -4.914 477 HD2 HIS 64 HD2 HIS 64 -10.189 -10.301 -1.745 478 HE1 HIS 64 HE1 HIS 64 -8.714 -11.829 -5.409 479 HE2 HIS 64 HE2 HIS 64 -10.190 -12.267 -3.421 480 H ALA 65 H ALA 65 -11.251 -7.329 -2.571 481 HA ALA 65 HA ALA 65 -11.678 -8.957 -4.806 482 1HB ALA 65 1HB ALA 65 -14.041 -8.826 -4.239 483 2HB ALA 65 2HB ALA 65 -13.725 -7.443 -3.191 484 3HB ALA 65 3HB ALA 65 -13.056 -9.025 -2.789 485 H GLU 66 H GLU 66 -13.265 -5.863 -4.284 486 HA GLU 66 HA GLU 66 -14.256 -5.554 -6.881 487 1HB GLU 66 1HB GLU 66 -14.093 -2.987 -5.930 488 2HB GLU 66 2HB GLU 66 -15.396 -4.116 -5.598 489 1HG GLU 66 1HG GLU 66 -14.275 -4.788 -3.495 490 2HG GLU 66 2HG GLU 66 -12.984 -3.627 -3.821 491 H ALA 67 H ALA 67 -11.517 -3.938 -5.375 492 HA ALA 67 HA ALA 67 -10.704 -2.400 -7.529 493 1HB ALA 67 1HB ALA 67 -9.893 -2.044 -5.251 494 2HB ALA 67 2HB ALA 67 -8.554 -2.214 -6.387 495 3HB ALA 67 3HB ALA 67 -8.993 -3.557 -5.331 496 H GLU 68 H GLU 68 -9.578 -5.618 -6.507 497 HA GLU 68 HA GLU 68 -7.644 -5.948 -8.489 498 1HB GLU 68 1HB GLU 68 -7.968 -7.375 -6.449 499 2HB GLU 68 2HB GLU 68 -9.278 -8.175 -7.301 500 1HG GLU 68 1HG GLU 68 -7.819 -9.105 -8.886 501 2HG GLU 68 2HG GLU 68 -6.498 -8.033 -8.411 502 H LYS 69 H LYS 69 -11.145 -6.507 -8.667 503 HA LYS 69 HA LYS 69 -11.176 -7.797 -11.152 504 1HB LYS 69 1HB LYS 69 -13.091 -5.674 -10.157 505 2HB LYS 69 2HB LYS 69 -13.390 -6.767 -11.499 506 1HG LYS 69 1HG LYS 69 -13.373 -8.663 -10.002 507 2HG LYS 69 2HG LYS 69 -12.979 -7.607 -8.639 508 1HD LYS 69 1HD LYS 69 -15.088 -6.366 -9.069 509 2HD LYS 69 2HD LYS 69 -15.489 -7.553 -10.311 510 1HE LYS 69 1HE LYS 69 -15.501 -9.319 -8.644 511 2HE LYS 69 2HE LYS 69 -15.023 -8.166 -7.398 512 1HZ LYS 69 1HZ LYS 69 -17.101 -6.949 -7.839 513 2HZ LYS 69 2HZ LYS 69 -17.378 -8.527 -7.283 514 3HZ LYS 69 3HZ LYS 69 -17.569 -8.163 -8.927 515 H ARG 70 H ARG 70 -11.750 -4.325 -10.612 516 HA ARG 70 HA ARG 70 -11.534 -3.625 -13.362 517 1HB ARG 70 1HB ARG 70 -12.586 -2.166 -11.720 518 2HB ARG 70 2HB ARG 70 -11.056 -1.949 -10.891 519 1HG ARG 70 1HG ARG 70 -11.436 0.023 -12.120 520 2HG ARG 70 2HG ARG 70 -10.186 -0.869 -12.988 521 1HD ARG 70 1HD ARG 70 -13.082 -1.133 -13.726 522 2HD ARG 70 2HD ARG 70 -12.110 0.203 -14.333 523 HE ARG 70 HE ARG 70 -10.585 -1.721 -15.148 524 1HH1 ARG 70 1HH1 ARG 70 -14.079 -1.857 -14.967 525 2HH1 ARG 70 2HH1 ARG 70 -14.242 -2.868 -16.376 526 1HH2 ARG 70 1HH2 ARG 70 -10.786 -3.007 -17.021 527 2HH2 ARG 70 2HH2 ARG 70 -12.357 -3.519 -17.547 528 H ALA 71 H ALA 71 -9.257 -3.246 -10.785 529 HA ALA 71 HA ALA 71 -7.084 -2.197 -12.101 530 1HB ALA 71 1HB ALA 71 -5.850 -2.868 -10.138 531 2HB ALA 71 2HB ALA 71 -7.171 -3.936 -9.663 532 3HB ALA 71 3HB ALA 71 -7.419 -2.192 -9.709 533 H ALA 72 H ALA 72 -7.830 -5.672 -11.519 534 HA ALA 72 HA ALA 72 -5.384 -6.692 -12.435 535 1HB ALA 72 1HB ALA 72 -7.041 -8.116 -11.346 536 2HB ALA 72 2HB ALA 72 -6.540 -8.783 -12.900 537 3HB ALA 72 3HB ALA 72 -8.096 -7.966 -12.750 538 H ALA 73 H ALA 73 -8.320 -5.761 -14.138 539 HA ALA 73 HA ALA 73 -7.532 -6.517 -16.714 540 1HB ALA 73 1HB ALA 73 -9.041 -4.798 -17.531 541 2HB ALA 73 2HB ALA 73 -9.082 -4.053 -15.933 542 3HB ALA 73 3HB ALA 73 -9.758 -5.664 -16.174 543 H ARG 74 H ARG 74 -7.165 -3.252 -15.293 544 HA ARG 74 HA ARG 74 -5.557 -2.243 -17.365 545 1HB ARG 74 1HB ARG 74 -6.730 -0.777 -15.895 546 2HB ARG 74 2HB ARG 74 -5.801 -1.337 -14.515 547 1HG ARG 74 1HG ARG 74 -4.064 0.006 -14.973 548 2HG ARG 74 2HG ARG 74 -4.205 -0.228 -16.718 549 1HD ARG 74 1HD ARG 74 -4.692 2.106 -15.815 550 2HD ARG 74 2HD ARG 74 -5.881 1.407 -16.914 551 HE ARG 74 HE ARG 74 -6.622 0.772 -14.287 552 1HH1 ARG 74 1HH1 ARG 74 -6.270 3.648 -16.271 553 2HH1 ARG 74 2HH1 ARG 74 -7.611 4.463 -15.535 554 1HH2 ARG 74 1HH2 ARG 74 -8.367 1.852 -13.305 555 2HH2 ARG 74 2HH2 ARG 74 -8.802 3.451 -13.844 556 H ALA 75 H ALA 75 -4.453 -3.690 -14.291 557 HA ALA 75 HA ALA 75 -1.750 -2.959 -14.384 558 1HB ALA 75 1HB ALA 75 -2.820 -3.967 -12.411 559 2HB ALA 75 2HB ALA 75 -1.315 -4.773 -12.844 560 3HB ALA 75 3HB ALA 75 -2.860 -5.525 -13.236 561 H GLY 76 H GLY 76 -3.404 -5.647 -15.995 562 1HA GLY 76 1HA GLY 76 -1.042 -5.938 -17.672 563 2HA GLY 76 2HA GLY 76 -1.556 -7.360 -16.775 564 H HIS 77 H HIS 77 -2.828 -8.652 -17.751 565 HA HIS 77 HA HIS 77 -4.024 -9.643 -19.416 566 1HB HIS 77 1HB HIS 77 -5.680 -7.173 -18.890 567 2HB HIS 77 2HB HIS 77 -6.223 -8.502 -19.905 568 HD1 HIS 77 HD1 HIS 77 -4.582 -10.382 -17.545 569 HD2 HIS 77 HD2 HIS 77 -8.000 -8.015 -17.320 570 HE1 HIS 77 HE1 HIS 77 -5.861 -11.221 -15.550 571 HE2 HIS 77 HE2 HIS 77 -7.901 -9.749 -15.396 572 H ALA 78 H ALA 78 -1.925 -7.620 -20.277 573 HA ALA 78 HA ALA 78 -2.574 -7.639 -23.083 574 1HB ALA 78 1HB ALA 78 -3.749 -5.623 -22.323 575 2HB ALA 78 2HB ALA 78 -2.424 -5.239 -23.423 576 3HB ALA 78 3HB ALA 78 -2.231 -4.988 -21.687 577 H ALA 79 H ALA 79 -0.442 -8.376 -20.956 578 HA ALA 79 HA ALA 79 1.891 -6.962 -21.914 579 1HB ALA 79 1HB ALA 79 3.152 -8.400 -20.402 580 2HB ALA 79 2HB ALA 79 1.708 -9.362 -20.091 581 3HB ALA 79 3HB ALA 79 1.776 -7.678 -19.572 582 H THR 80 H THR 80 3.777 -8.226 -22.744 583 HA THR 80 HA THR 80 2.957 -10.542 -24.352 584 HB THR 80 HB THR 80 4.551 -8.223 -25.468 585 HG1 THR 80 HG1 THR 80 1.898 -8.513 -25.136 586 1HG2 THR 80 1HG2 THR 80 3.342 -10.646 -26.813 587 2HG2 THR 80 2HG2 THR 80 5.057 -10.399 -26.494 588 3HG2 THR 80 3HG2 THR 80 4.211 -9.339 -27.621 Start of MODEL 20 1 H MET 1 H MET 1 5.841 1.206 3.808 2 HA MET 1 HA MET 1 4.717 0.629 1.743 3 1HB MET 1 1HB MET 1 5.725 2.235 0.250 4 2HB MET 1 2HB MET 1 7.332 1.598 0.564 5 1HG MET 1 1HG MET 1 6.683 -0.510 -0.529 6 2HG MET 1 2HG MET 1 5.105 0.186 -0.889 7 1HE MET 1 1HE MET 1 5.568 -0.532 -3.440 8 2HE MET 1 2HE MET 1 7.188 -1.100 -3.036 9 3HE MET 1 3HE MET 1 6.958 0.030 -4.370 10 H HIS 2 H HIS 2 4.671 -1.546 1.628 11 HA HIS 2 HA HIS 2 7.198 -3.005 1.807 12 1HB HIS 2 1HB HIS 2 6.671 -4.292 3.641 13 2HB HIS 2 2HB HIS 2 5.853 -2.808 4.097 14 HD1 HIS 2 HD1 HIS 2 3.376 -2.973 4.566 15 HD2 HIS 2 HD2 HIS 2 4.879 -6.371 2.683 16 HE1 HIS 2 HE1 HIS 2 1.519 -4.675 4.630 17 HE2 HIS 2 HE2 HIS 2 2.425 -6.708 3.441 18 H ALA 3 H ALA 3 7.108 -5.079 0.837 19 HA ALA 3 HA ALA 3 4.563 -5.803 -0.416 20 1HB ALA 3 1HB ALA 3 5.627 -6.278 -2.540 21 2HB ALA 3 2HB ALA 3 7.186 -5.759 -1.901 22 3HB ALA 3 3HB ALA 3 5.882 -4.589 -2.104 23 H LYS 4 H LYS 4 4.141 -7.627 0.592 24 HA LYS 4 HA LYS 4 6.132 -9.754 0.506 25 1HB LYS 4 1HB LYS 4 4.777 -8.710 2.978 26 2HB LYS 4 2HB LYS 4 5.314 -10.382 2.884 27 1HG LYS 4 1HG LYS 4 7.596 -9.663 2.521 28 2HG LYS 4 2HG LYS 4 7.085 -7.976 2.497 29 1HD LYS 4 1HD LYS 4 6.510 -8.024 4.797 30 2HD LYS 4 2HD LYS 4 6.630 -9.784 4.861 31 1HE LYS 4 1HE LYS 4 8.563 -8.676 5.909 32 2HE LYS 4 2HE LYS 4 9.026 -9.669 4.529 33 1HZ LYS 4 1HZ LYS 4 10.169 -7.529 4.550 34 2HZ LYS 4 2HZ LYS 4 8.684 -6.714 4.479 35 3HZ LYS 4 3HZ LYS 4 9.184 -7.681 3.178 36 H VAL 5 H VAL 5 5.131 -11.884 1.042 37 HA VAL 5 HA VAL 5 2.803 -12.209 -0.568 38 HB VAL 5 HB VAL 5 4.545 -13.941 -0.490 39 1HG1 VAL 5 1HG1 VAL 5 3.712 -14.338 2.377 40 2HG1 VAL 5 2HG1 VAL 5 5.256 -13.704 1.809 41 3HG1 VAL 5 3HG1 VAL 5 4.817 -15.379 1.476 42 1HG2 VAL 5 1HG2 VAL 5 3.143 -15.923 -0.221 43 2HG2 VAL 5 2HG2 VAL 5 2.278 -14.642 -1.070 44 3HG2 VAL 5 3HG2 VAL 5 1.934 -14.961 0.631 45 H GLY 6 H GLY 6 0.763 -13.082 0.099 46 1HA GLY 6 1HA GLY 6 -0.970 -13.470 1.634 47 2HA GLY 6 2HA GLY 6 0.082 -12.912 2.932 48 H ASP 7 H ASP 7 0.116 -11.010 0.168 49 HA ASP 7 HA ASP 7 -1.902 -9.057 1.212 50 1HB ASP 7 1HB ASP 7 1.030 -8.477 0.612 51 2HB ASP 7 2HB ASP 7 -0.204 -7.232 0.724 52 H TYR 8 H TYR 8 -1.715 -7.153 -0.433 53 HA TYR 8 HA TYR 8 -1.788 -8.244 -3.164 54 1HB TYR 8 1HB TYR 8 -3.989 -6.639 -1.829 55 2HB TYR 8 2HB TYR 8 -3.942 -7.060 -3.531 56 HD1 TYR 8 HD1 TYR 8 -4.634 -8.265 -0.144 57 HD2 TYR 8 HD2 TYR 8 -4.475 -9.313 -4.263 58 HE1 TYR 8 HE1 TYR 8 -5.989 -10.272 0.307 59 HE2 TYR 8 HE2 TYR 8 -5.821 -11.325 -3.813 60 HH TYR 8 HH TYR 8 -6.197 -12.822 -1.688 61 H LEU 9 H LEU 9 -2.379 -6.279 -4.619 62 HA LEU 9 HA LEU 9 -0.618 -4.074 -3.824 63 1HB LEU 9 1HB LEU 9 0.769 -5.804 -4.847 64 2HB LEU 9 2HB LEU 9 -0.300 -5.881 -6.227 65 HG LEU 9 HG LEU 9 1.168 -3.332 -5.606 66 1HD1 LEU 9 1HD1 LEU 9 2.840 -5.117 -5.612 67 2HD1 LEU 9 2HD1 LEU 9 2.984 -4.097 -7.045 68 3HD1 LEU 9 3HD1 LEU 9 2.227 -5.685 -7.166 69 1HD2 LEU 9 1HD2 LEU 9 0.208 -4.606 -8.170 70 2HD2 LEU 9 2HD2 LEU 9 1.007 -3.040 -8.030 71 3HD2 LEU 9 3HD2 LEU 9 -0.587 -3.284 -7.316 72 H VAL 10 H VAL 10 -1.140 -2.204 -4.577 73 HA VAL 10 HA VAL 10 -2.873 -1.872 -6.923 74 HB VAL 10 HB VAL 10 -3.240 -0.369 -4.312 75 1HG1 VAL 10 1HG1 VAL 10 -5.204 0.611 -5.410 76 2HG1 VAL 10 2HG1 VAL 10 -4.766 -0.220 -6.903 77 3HG1 VAL 10 3HG1 VAL 10 -3.701 1.018 -6.238 78 1HG2 VAL 10 1HG2 VAL 10 -4.098 -2.646 -4.146 79 2HG2 VAL 10 2HG2 VAL 10 -5.051 -2.395 -5.608 80 3HG2 VAL 10 3HG2 VAL 10 -5.408 -1.467 -4.152 81 H VAL 11 H VAL 11 -2.339 -0.037 -8.124 82 HA VAL 11 HA VAL 11 -0.154 1.640 -7.074 83 HB VAL 11 HB VAL 11 -0.563 0.674 -9.907 84 1HG1 VAL 11 1HG1 VAL 11 0.147 3.008 -9.933 85 2HG1 VAL 11 2HG1 VAL 11 1.450 1.952 -10.478 86 3HG1 VAL 11 3HG1 VAL 11 1.483 2.625 -8.848 87 1HG2 VAL 11 1HG2 VAL 11 0.484 -0.965 -8.470 88 2HG2 VAL 11 2HG2 VAL 11 1.654 0.233 -7.916 89 3HG2 VAL 11 3HG2 VAL 11 1.673 -0.307 -9.594 90 H LYS 12 H LYS 12 -0.548 3.756 -7.020 91 HA LYS 12 HA LYS 12 -3.010 4.806 -8.150 92 1HB LYS 12 1HB LYS 12 -0.821 6.200 -6.587 93 2HB LYS 12 2HB LYS 12 -2.375 6.896 -7.012 94 1HG LYS 12 1HG LYS 12 -3.523 5.338 -5.583 95 2HG LYS 12 2HG LYS 12 -2.015 4.483 -5.247 96 1HD LYS 12 1HD LYS 12 -1.108 6.472 -4.181 97 2HD LYS 12 2HD LYS 12 -2.584 7.363 -4.551 98 1HE LYS 12 1HE LYS 12 -3.868 5.907 -3.107 99 2HE LYS 12 2HE LYS 12 -2.452 4.896 -2.819 100 1HZ LYS 12 1HZ LYS 12 -1.387 6.666 -1.665 101 2HZ LYS 12 2HZ LYS 12 -2.946 6.506 -1.017 102 3HZ LYS 12 3HZ LYS 12 -2.604 7.766 -2.092 103 H GLY 13 H GLY 13 -2.727 4.864 -10.382 104 1HA GLY 13 1HA GLY 13 -0.509 6.571 -11.323 105 2HA GLY 13 2HA GLY 13 -0.811 5.012 -12.068 106 H THR 14 H THR 14 -3.321 4.828 -12.674 107 HA THR 14 HA THR 14 -3.526 6.402 -14.961 108 HB THR 14 HB THR 14 -6.005 5.212 -13.805 109 HG1 THR 14 HG1 THR 14 -5.168 3.286 -13.639 110 1HG2 THR 14 1HG2 THR 14 -6.256 4.406 -16.121 111 2HG2 THR 14 2HG2 THR 14 -4.692 5.115 -16.525 112 3HG2 THR 14 3HG2 THR 14 -6.036 6.156 -16.056 113 H THR 15 H THR 15 -4.543 8.258 -15.469 114 HA THR 15 HA THR 15 -5.449 10.308 -15.212 115 HB THR 15 HB THR 15 -7.765 10.329 -14.176 116 HG1 THR 15 HG1 THR 15 -6.914 7.924 -13.283 117 1HG2 THR 15 1HG2 THR 15 -7.155 8.301 -16.328 118 2HG2 THR 15 2HG2 THR 15 -7.408 10.031 -16.561 119 3HG2 THR 15 3HG2 THR 15 -8.738 9.012 -16.011 120 H THR 16 H THR 16 -7.011 9.607 -12.194 121 HA THR 16 HA THR 16 -4.937 10.868 -10.624 122 HB THR 16 HB THR 16 -5.962 12.854 -11.486 123 HG1 THR 16 HG1 THR 16 -7.300 13.155 -9.181 124 1HG2 THR 16 1HG2 THR 16 -8.358 13.339 -11.223 125 2HG2 THR 16 2HG2 THR 16 -8.609 11.718 -10.574 126 3HG2 THR 16 3HG2 THR 16 -8.085 11.929 -12.246 127 H GLU 17 H GLU 17 -4.869 9.922 -8.724 128 HA GLU 17 HA GLU 17 -5.407 8.794 -6.827 129 1HB GLU 17 1HB GLU 17 -8.104 10.043 -7.351 130 2HB GLU 17 2HB GLU 17 -7.685 9.190 -5.873 131 1HG GLU 17 1HG GLU 17 -5.967 10.824 -5.388 132 2HG GLU 17 2HG GLU 17 -6.309 11.658 -6.905 133 H ARG 18 H ARG 18 -5.981 7.591 -9.581 134 HA ARG 18 HA ARG 18 -8.222 5.841 -9.071 135 1HB ARG 18 1HB ARG 18 -7.372 6.909 -11.339 136 2HB ARG 18 2HB ARG 18 -6.392 5.451 -11.389 137 1HG ARG 18 1HG ARG 18 -8.357 4.067 -11.318 138 2HG ARG 18 2HG ARG 18 -9.388 5.487 -11.106 139 1HD ARG 18 1HD ARG 18 -8.411 6.317 -13.305 140 2HD ARG 18 2HD ARG 18 -7.783 4.684 -13.515 141 HE ARG 18 HE ARG 18 -10.187 3.970 -13.318 142 1HH1 ARG 18 1HH1 ARG 18 -9.301 7.164 -14.424 143 2HH1 ARG 18 2HH1 ARG 18 -10.706 7.355 -15.437 144 1HH2 ARG 18 1HH2 ARG 18 -12.044 4.195 -14.647 145 2HH2 ARG 18 2HH2 ARG 18 -12.274 5.665 -15.554 146 H HIS 19 H HIS 19 -8.117 3.901 -8.237 147 HA HIS 19 HA HIS 19 -5.513 2.801 -7.554 148 1HB HIS 19 1HB HIS 19 -8.318 2.016 -6.739 149 2HB HIS 19 2HB HIS 19 -6.872 1.166 -6.209 150 HD1 HIS 19 HD1 HIS 19 -8.593 4.509 -5.883 151 HD2 HIS 19 HD2 HIS 19 -5.555 2.311 -4.085 152 HE1 HIS 19 HE1 HIS 19 -7.976 5.780 -3.798 153 HE2 HIS 19 HE2 HIS 19 -6.211 4.373 -2.667 154 H ASP 20 H ASP 20 -4.798 2.073 -9.568 155 HA ASP 20 HA ASP 20 -6.309 -0.206 -10.661 156 1HB ASP 20 1HB ASP 20 -4.444 1.724 -12.045 157 2HB ASP 20 2HB ASP 20 -4.976 0.212 -12.774 158 H GLN 21 H GLN 21 -4.435 -1.495 -12.116 159 HA GLN 21 HA GLN 21 -2.970 -3.210 -11.852 160 1HB GLN 21 1HB GLN 21 -1.497 -0.965 -10.491 161 2HB GLN 21 2HB GLN 21 -0.790 -2.563 -10.664 162 1HG GLN 21 1HG GLN 21 0.011 -1.131 -12.412 163 2HG GLN 21 2HG GLN 21 -1.020 -2.381 -13.104 164 1HE2 GLN 21 1HE2 GLN 21 -0.701 0.993 -12.371 165 2HE2 GLN 21 2HE2 GLN 21 -2.003 1.541 -13.366 166 H HIS 22 H HIS 22 -4.310 -4.569 -10.587 167 HA HIS 22 HA HIS 22 -3.599 -4.621 -7.739 168 1HB HIS 22 1HB HIS 22 -5.791 -3.439 -8.136 169 2HB HIS 22 2HB HIS 22 -6.425 -4.968 -8.729 170 HD1 HIS 22 HD1 HIS 22 -5.417 -6.911 -6.593 171 HD2 HIS 22 HD2 HIS 22 -6.996 -3.165 -5.754 172 HE1 HIS 22 HE1 HIS 22 -6.231 -7.039 -4.226 173 HE2 HIS 22 HE2 HIS 22 -7.418 -4.845 -3.845 174 H ALA 23 H ALA 23 -3.166 -6.523 -6.947 175 HA ALA 23 HA ALA 23 -4.556 -8.960 -7.470 176 1HB ALA 23 1HB ALA 23 -3.463 -8.850 -9.672 177 2HB ALA 23 2HB ALA 23 -2.921 -10.236 -8.727 178 3HB ALA 23 3HB ALA 23 -1.887 -8.815 -8.879 179 H GLU 24 H GLU 24 -3.067 -10.864 -6.699 180 HA GLU 24 HA GLU 24 -2.176 -9.931 -4.060 181 1HB GLU 24 1HB GLU 24 -3.905 -11.653 -4.048 182 2HB GLU 24 2HB GLU 24 -2.882 -12.719 -5.005 183 1HG GLU 24 1HG GLU 24 -1.288 -12.880 -3.200 184 2HG GLU 24 2HG GLU 24 -2.199 -11.711 -2.249 185 H ILE 25 H ILE 25 -0.182 -10.070 -3.352 186 HA ILE 25 HA ILE 25 1.860 -11.131 -5.121 187 HB ILE 25 HB ILE 25 2.273 -9.860 -2.409 188 1HG1 ILE 25 1HG1 ILE 25 2.255 -8.491 -5.112 189 2HG1 ILE 25 2HG1 ILE 25 0.977 -8.350 -3.910 190 1HG2 ILE 25 1HG2 ILE 25 4.074 -10.197 -4.807 191 2HG2 ILE 25 2HG2 ILE 25 4.175 -11.090 -3.289 192 3HG2 ILE 25 3HG2 ILE 25 4.502 -9.357 -3.315 193 1HD1 ILE 25 1HD1 ILE 25 3.831 -7.460 -3.561 194 2HD1 ILE 25 2HD1 ILE 25 2.547 -7.310 -2.362 195 3HD1 ILE 25 3HD1 ILE 25 2.446 -6.416 -3.880 196 H ILE 26 H ILE 26 2.087 -13.268 -5.039 197 HA ILE 26 HA ILE 26 2.178 -14.557 -2.400 198 HB ILE 26 HB ILE 26 1.684 -16.672 -3.364 199 1HG1 ILE 26 1HG1 ILE 26 3.023 -16.361 -5.479 200 2HG1 ILE 26 2HG1 ILE 26 1.458 -17.124 -5.729 201 1HG2 ILE 26 1HG2 ILE 26 -0.255 -15.239 -2.990 202 2HG2 ILE 26 2HG2 ILE 26 -0.528 -16.270 -4.396 203 3HG2 ILE 26 3HG2 ILE 26 -0.107 -14.571 -4.616 204 1HD1 ILE 26 1HD1 ILE 26 2.151 -14.253 -6.293 205 2HD1 ILE 26 2HD1 ILE 26 0.561 -14.986 -6.511 206 3HD1 ILE 26 3HD1 ILE 26 1.928 -15.538 -7.480 207 H GLU 27 H GLU 27 3.958 -13.930 -5.327 208 HA GLU 27 HA GLU 27 6.305 -15.117 -4.015 209 1HB GLU 27 1HB GLU 27 5.770 -14.870 -6.981 210 2HB GLU 27 2HB GLU 27 7.317 -15.335 -6.287 211 1HG GLU 27 1HG GLU 27 5.839 -17.166 -5.101 212 2HG GLU 27 2HG GLU 27 4.787 -16.867 -6.484 213 H VAL 28 H VAL 28 7.524 -13.593 -3.215 214 HA VAL 28 HA VAL 28 7.327 -10.915 -4.349 215 HB VAL 28 HB VAL 28 8.524 -11.789 -1.720 216 1HG1 VAL 28 1HG1 VAL 28 7.847 -9.044 -2.775 217 2HG1 VAL 28 2HG1 VAL 28 9.471 -9.702 -2.581 218 3HG1 VAL 28 3HG1 VAL 28 8.463 -9.410 -1.163 219 1HG2 VAL 28 1HG2 VAL 28 6.495 -10.888 -0.729 220 2HG2 VAL 28 2HG2 VAL 28 6.116 -12.190 -1.858 221 3HG2 VAL 28 3HG2 VAL 28 5.867 -10.512 -2.334 222 H ARG 29 H ARG 29 8.927 -10.350 -5.752 223 HA ARG 29 HA ARG 29 11.263 -11.879 -6.134 224 1HB ARG 29 1HB ARG 29 10.149 -10.480 -7.879 225 2HB ARG 29 2HB ARG 29 10.750 -9.051 -7.057 226 1HG ARG 29 1HG ARG 29 12.661 -11.155 -7.971 227 2HG ARG 29 2HG ARG 29 12.005 -9.995 -9.125 228 1HD ARG 29 1HD ARG 29 12.814 -8.165 -7.643 229 2HD ARG 29 2HD ARG 29 13.575 -9.384 -6.625 230 HE ARG 29 HE ARG 29 14.688 -9.972 -8.951 231 1HH1 ARG 29 1HH1 ARG 29 14.117 -6.843 -7.481 232 2HH1 ARG 29 2HH1 ARG 29 15.484 -6.095 -8.241 233 1HH2 ARG 29 1HH2 ARG 29 16.517 -8.989 -9.931 234 2HH2 ARG 29 2HH2 ARG 29 16.835 -7.303 -9.637 235 H SER 30 H SER 30 10.842 -8.645 -4.813 236 HA SER 30 HA SER 30 13.279 -9.071 -3.220 237 1HB SER 30 1HB SER 30 12.107 -6.433 -4.147 238 2HB SER 30 2HB SER 30 13.570 -6.632 -3.183 239 HG SER 30 HG SER 30 14.471 -7.809 -4.963 240 H ALA 31 H ALA 31 12.795 -9.504 -1.182 241 HA ALA 31 HA ALA 31 10.134 -9.465 -0.242 242 1HB ALA 31 1HB ALA 31 12.659 -9.865 1.352 243 2HB ALA 31 2HB ALA 31 11.817 -11.119 0.443 244 3HB ALA 31 3HB ALA 31 11.029 -10.350 1.821 245 H ASP 32 H ASP 32 12.599 -7.098 -0.121 246 HA ASP 32 HA ASP 32 11.819 -5.664 2.180 247 1HB ASP 32 1HB ASP 32 12.983 -4.474 -0.346 248 2HB ASP 32 2HB ASP 32 13.097 -3.829 1.287 249 H GLY 33 H GLY 33 10.743 -5.641 -1.148 250 1HA GLY 33 1HA GLY 33 8.323 -4.974 -1.383 251 2HA GLY 33 2HA GLY 33 8.794 -3.524 -0.503 252 H SER 34 H SER 34 10.154 -5.370 -3.230 253 HA SER 34 HA SER 34 10.191 -2.884 -4.792 254 1HB SER 34 1HB SER 34 12.522 -4.809 -4.662 255 2HB SER 34 2HB SER 34 12.474 -3.238 -5.462 256 HG SER 34 HG SER 34 12.143 -2.325 -3.332 257 HA PRO 35 HA PRO 35 8.618 -5.558 -8.002 258 1HB PRO 35 1HB PRO 35 9.590 -3.575 -9.923 259 2HB PRO 35 2HB PRO 35 7.930 -4.031 -9.535 260 1HG PRO 35 1HG PRO 35 8.957 -1.634 -8.844 261 2HG PRO 35 2HG PRO 35 7.756 -2.473 -7.846 262 1HD PRO 35 1HD PRO 35 10.726 -2.300 -7.491 263 2HD PRO 35 2HD PRO 35 9.436 -2.171 -6.274 264 HA PRO 36 HA PRO 36 8.369 -6.033 -10.410 265 1HB PRO 36 1HB PRO 36 8.483 -8.438 -11.600 266 2HB PRO 36 2HB PRO 36 9.206 -6.999 -12.331 267 1HG PRO 36 1HG PRO 36 10.522 -9.198 -10.779 268 2HG PRO 36 2HG PRO 36 11.059 -8.408 -12.273 269 1HD PRO 36 1HD PRO 36 12.039 -7.764 -9.812 270 2HD PRO 36 2HD PRO 36 11.940 -6.608 -11.154 271 H TYR 37 H TYR 37 6.663 -7.869 -10.350 272 HA TYR 37 HA TYR 37 6.951 -9.433 -7.859 273 1HB TYR 37 1HB TYR 37 4.499 -7.886 -8.724 274 2HB TYR 37 2HB TYR 37 4.607 -8.934 -7.314 275 HD1 TYR 37 HD1 TYR 37 6.137 -8.279 -5.426 276 HD2 TYR 37 HD2 TYR 37 5.234 -5.644 -8.639 277 HE1 TYR 37 HE1 TYR 37 6.903 -6.373 -4.073 278 HE2 TYR 37 HE2 TYR 37 5.995 -3.734 -7.296 279 HH TYR 37 HH TYR 37 7.721 -4.097 -4.382 280 H VAL 38 H VAL 38 6.139 -11.483 -7.939 281 HA VAL 38 HA VAL 38 4.832 -12.298 -10.436 282 HB VAL 38 HB VAL 38 5.831 -14.041 -8.165 283 1HG1 VAL 38 1HG1 VAL 38 5.478 -15.892 -9.728 284 2HG1 VAL 38 2HG1 VAL 38 4.818 -14.765 -10.915 285 3HG1 VAL 38 3HG1 VAL 38 3.974 -15.037 -9.389 286 1HG2 VAL 38 1HG2 VAL 38 7.630 -14.681 -9.700 287 2HG2 VAL 38 2HG2 VAL 38 7.674 -12.958 -9.330 288 3HG2 VAL 38 3HG2 VAL 38 7.037 -13.510 -10.879 289 H VAL 39 H VAL 39 2.733 -12.021 -10.380 290 HA VAL 39 HA VAL 39 1.486 -11.883 -7.731 291 HB VAL 39 HB VAL 39 1.930 -9.816 -9.435 292 1HG1 VAL 39 1HG1 VAL 39 -0.892 -10.694 -9.971 293 2HG1 VAL 39 2HG1 VAL 39 0.424 -10.571 -11.140 294 3HG1 VAL 39 3HG1 VAL 39 -0.219 -9.116 -10.380 295 1HG2 VAL 39 1HG2 VAL 39 1.338 -9.616 -7.110 296 2HG2 VAL 39 2HG2 VAL 39 -0.331 -10.062 -7.472 297 3HG2 VAL 39 3HG2 VAL 39 0.335 -8.551 -8.094 298 H ARG 40 H ARG 40 -0.459 -12.780 -7.421 299 HA ARG 40 HA ARG 40 -1.452 -14.524 -9.560 300 1HB ARG 40 1HB ARG 40 -0.689 -15.405 -7.247 301 2HB ARG 40 2HB ARG 40 -2.195 -14.719 -6.653 302 1HG ARG 40 1HG ARG 40 -3.466 -16.140 -8.140 303 2HG ARG 40 2HG ARG 40 -1.974 -16.782 -8.834 304 1HD ARG 40 1HD ARG 40 -1.366 -17.501 -6.479 305 2HD ARG 40 2HD ARG 40 -3.036 -17.143 -6.046 306 HE ARG 40 HE ARG 40 -2.998 -18.831 -8.293 307 1HH1 ARG 40 1HH1 ARG 40 -2.400 -18.853 -4.849 308 2HH1 ARG 40 2HH1 ARG 40 -2.619 -20.571 -4.692 309 1HH2 ARG 40 1HH2 ARG 40 -3.300 -21.078 -8.105 310 2HH2 ARG 40 2HH2 ARG 40 -3.175 -21.839 -6.544 311 H TRP 41 H TRP 41 -3.396 -14.175 -10.389 312 HA TRP 41 HA TRP 41 -4.887 -11.869 -9.389 313 1HB TRP 41 1HB TRP 41 -5.296 -13.404 -11.971 314 2HB TRP 41 2HB TRP 41 -5.925 -11.810 -11.572 315 HD1 TRP 41 HD1 TRP 41 -2.223 -12.932 -11.198 316 HE1 TRP 41 HE1 TRP 41 -0.778 -11.397 -12.655 317 HE3 TRP 41 HE3 TRP 41 -5.918 -10.259 -13.464 318 HZ2 TRP 41 HZ2 TRP 41 -1.142 -9.338 -14.533 319 HZ3 TRP 41 HZ3 TRP 41 -5.279 -8.529 -15.063 320 HH2 TRP 41 HH2 TRP 41 -2.951 -8.074 -15.608 321 H LEU 42 H LEU 42 -6.064 -12.674 -7.693 322 HA LEU 42 HA LEU 42 -6.861 -15.425 -7.651 323 1HB LEU 42 1HB LEU 42 -7.852 -13.297 -5.780 324 2HB LEU 42 2HB LEU 42 -7.688 -15.014 -5.475 325 HG LEU 42 HG LEU 42 -5.498 -12.962 -5.667 326 1HD1 LEU 42 1HD1 LEU 42 -5.032 -13.733 -3.397 327 2HD1 LEU 42 2HD1 LEU 42 -6.407 -14.832 -3.494 328 3HD1 LEU 42 3HD1 LEU 42 -6.666 -13.088 -3.555 329 1HD2 LEU 42 1HD2 LEU 42 -3.923 -14.798 -5.292 330 2HD2 LEU 42 2HD2 LEU 42 -4.748 -14.951 -6.843 331 3HD2 LEU 42 3HD2 LEU 42 -5.236 -15.959 -5.481 332 H VAL 43 H VAL 43 -8.746 -12.439 -7.431 333 HA VAL 43 HA VAL 43 -11.211 -13.827 -7.856 334 HB VAL 43 HB VAL 43 -12.074 -11.421 -7.947 335 1HG1 VAL 43 1HG1 VAL 43 -11.884 -11.203 -5.498 336 2HG1 VAL 43 2HG1 VAL 43 -10.619 -12.432 -5.509 337 3HG1 VAL 43 3HG1 VAL 43 -12.266 -12.855 -5.980 338 1HG2 VAL 43 1HG2 VAL 43 -9.283 -10.896 -6.957 339 2HG2 VAL 43 2HG2 VAL 43 -10.608 -9.734 -6.970 340 3HG2 VAL 43 3HG2 VAL 43 -9.952 -10.337 -8.492 341 H ASN 44 H ASN 44 -8.814 -12.814 -9.845 342 HA ASN 44 HA ASN 44 -10.544 -12.216 -12.093 343 1HB ASN 44 1HB ASN 44 -7.547 -12.155 -11.779 344 2HB ASN 44 2HB ASN 44 -8.336 -11.962 -13.340 345 1HD2 ASN 44 1HD2 ASN 44 -7.640 -10.505 -10.285 346 2HD2 ASN 44 2HD2 ASN 44 -8.222 -8.926 -10.679 347 H GLY 45 H GLY 45 -7.774 -14.463 -11.560 348 1HA GLY 45 1HA GLY 45 -9.030 -16.793 -12.280 349 2HA GLY 45 2HA GLY 45 -8.568 -16.060 -13.804 350 H HIS 46 H HIS 46 -6.222 -15.534 -14.063 351 HA HIS 46 HA HIS 46 -4.738 -17.885 -13.111 352 1HB HIS 46 1HB HIS 46 -4.443 -16.128 -15.539 353 2HB HIS 46 2HB HIS 46 -3.178 -17.248 -15.045 354 HD1 HIS 46 HD1 HIS 46 -3.287 -19.394 -16.226 355 HD2 HIS 46 HD2 HIS 46 -7.050 -17.669 -15.826 356 HE1 HIS 46 HE1 HIS 46 -4.882 -20.969 -17.369 357 HE2 HIS 46 HE2 HIS 46 -7.101 -19.781 -17.319 358 H GLU 47 H GLU 47 -2.262 -17.498 -13.145 359 HA GLU 47 HA GLU 47 -1.671 -14.957 -11.763 360 1HB GLU 47 1HB GLU 47 0.072 -16.187 -10.501 361 2HB GLU 47 2HB GLU 47 -1.549 -16.784 -10.181 362 1HG GLU 47 1HG GLU 47 -1.112 -18.615 -11.822 363 2HG GLU 47 2HG GLU 47 0.559 -18.056 -11.907 364 H THR 48 H THR 48 0.455 -14.060 -12.105 365 HA THR 48 HA THR 48 2.210 -15.084 -14.107 366 HB THR 48 HB THR 48 0.389 -14.422 -15.596 367 HG1 THR 48 HG1 THR 48 1.655 -13.259 -17.010 368 1HG2 THR 48 1HG2 THR 48 -0.628 -12.659 -14.252 369 2HG2 THR 48 2HG2 THR 48 -0.233 -12.060 -15.863 370 3HG2 THR 48 3HG2 THR 48 0.793 -11.645 -14.489 371 H THR 49 H THR 49 3.598 -13.157 -14.938 372 HA THR 49 HA THR 49 4.570 -11.837 -12.496 373 HB THR 49 HB THR 49 6.008 -12.160 -15.139 374 HG1 THR 49 HG1 THR 49 5.506 -14.204 -14.168 375 1HG2 THR 49 1HG2 THR 49 8.021 -11.764 -13.789 376 2HG2 THR 49 2HG2 THR 49 7.016 -11.527 -12.359 377 3HG2 THR 49 3HG2 THR 49 6.913 -10.396 -13.709 378 H VAL 50 H VAL 50 4.213 -9.729 -12.232 379 HA VAL 50 HA VAL 50 3.452 -8.138 -14.604 380 HB VAL 50 HB VAL 50 2.243 -7.972 -11.834 381 1HG1 VAL 50 1HG1 VAL 50 0.637 -6.412 -12.864 382 2HG1 VAL 50 2HG1 VAL 50 1.564 -6.467 -14.363 383 3HG1 VAL 50 3HG1 VAL 50 2.286 -5.790 -12.904 384 1HG2 VAL 50 1HG2 VAL 50 1.537 -9.971 -13.028 385 2HG2 VAL 50 2HG2 VAL 50 1.070 -8.988 -14.418 386 3HG2 VAL 50 3HG2 VAL 50 0.211 -8.817 -12.887 387 H TYR 51 H TYR 51 4.146 -6.051 -14.704 388 HA TYR 51 HA TYR 51 5.903 -5.076 -12.561 389 1HB TYR 51 1HB TYR 51 5.768 -4.362 -15.501 390 2HB TYR 51 2HB TYR 51 6.731 -3.472 -14.329 391 HD1 TYR 51 HD1 TYR 51 6.327 -6.780 -15.962 392 HD2 TYR 51 HD2 TYR 51 8.859 -4.247 -13.664 393 HE1 TYR 51 HE1 TYR 51 8.195 -8.343 -16.303 394 HE2 TYR 51 HE2 TYR 51 10.731 -5.802 -13.999 395 HH TYR 51 HH TYR 51 11.108 -8.138 -14.522 396 HA PRO 52 HA PRO 52 2.180 -2.528 -11.978 397 1HB PRO 52 1HB PRO 52 2.704 -1.829 -9.436 398 2HB PRO 52 2HB PRO 52 2.110 -3.441 -9.857 399 1HG PRO 52 1HG PRO 52 4.912 -2.545 -9.287 400 2HG PRO 52 2HG PRO 52 4.059 -3.986 -8.700 401 1HD PRO 52 1HD PRO 52 5.804 -4.048 -10.781 402 2HD PRO 52 2HD PRO 52 4.412 -5.145 -10.657 403 H GLY 53 H GLY 53 5.479 -1.699 -12.019 404 1HA GLY 53 1HA GLY 53 6.327 0.366 -12.789 405 2HA GLY 53 2HA GLY 53 4.815 1.132 -12.315 406 H SER 54 H SER 54 4.671 2.094 -10.357 407 HA SER 54 HA SER 54 6.519 1.428 -8.230 408 1HB SER 54 1HB SER 54 6.508 4.198 -9.468 409 2HB SER 54 2HB SER 54 7.355 3.749 -7.988 410 HG SER 54 HG SER 54 7.968 2.055 -10.013 411 H ASP 55 H ASP 55 6.052 2.964 -6.290 412 HA ASP 55 HA ASP 55 4.583 3.591 -4.691 413 1HB ASP 55 1HB ASP 55 3.128 4.626 -7.118 414 2HB ASP 55 2HB ASP 55 2.494 4.837 -5.490 415 H ALA 56 H ALA 56 4.541 0.960 -5.426 416 HA ALA 56 HA ALA 56 1.842 0.018 -5.684 417 1HB ALA 56 1HB ALA 56 4.366 -1.498 -5.014 418 2HB ALA 56 2HB ALA 56 3.695 -1.259 -6.628 419 3HB ALA 56 3HB ALA 56 2.808 -2.208 -5.436 420 H VAL 57 H VAL 57 0.459 0.131 -4.077 421 HA VAL 57 HA VAL 57 1.419 0.081 -1.302 422 HB VAL 57 HB VAL 57 -1.405 0.645 -2.153 423 1HG1 VAL 57 1HG1 VAL 57 0.200 1.453 0.258 424 2HG1 VAL 57 2HG1 VAL 57 -1.099 0.262 0.199 425 3HG1 VAL 57 3HG1 VAL 57 -1.454 1.968 -0.075 426 1HG2 VAL 57 1HG2 VAL 57 -0.869 3.050 -2.157 427 2HG2 VAL 57 2HG2 VAL 57 -0.043 2.174 -3.445 428 3HG2 VAL 57 3HG2 VAL 57 0.841 2.649 -1.994 429 H VAL 58 H VAL 58 0.327 -1.265 0.234 430 HA VAL 58 HA VAL 58 -0.465 -3.803 -0.967 431 HB VAL 58 HB VAL 58 -0.080 -4.496 1.564 432 1HG1 VAL 58 1HG1 VAL 58 2.224 -5.107 0.940 433 2HG1 VAL 58 2HG1 VAL 58 2.107 -4.039 -0.460 434 3HG1 VAL 58 3HG1 VAL 58 1.068 -5.460 -0.344 435 1HG2 VAL 58 1HG2 VAL 58 1.700 -2.094 1.206 436 2HG2 VAL 58 2HG2 VAL 58 1.832 -3.274 2.510 437 3HG2 VAL 58 3HG2 VAL 58 0.392 -2.263 2.376 438 H VAL 59 H VAL 59 -2.557 -4.107 -1.089 439 HA VAL 59 HA VAL 59 -4.291 -3.181 1.045 440 HB VAL 59 HB VAL 59 -6.063 -3.908 -0.621 441 1HG1 VAL 59 1HG1 VAL 59 -4.207 -1.671 -1.388 442 2HG1 VAL 59 2HG1 VAL 59 -5.504 -1.569 -0.198 443 3HG1 VAL 59 3HG1 VAL 59 -5.887 -1.832 -1.900 444 1HG2 VAL 59 1HG2 VAL 59 -3.694 -3.920 -2.459 445 2HG2 VAL 59 2HG2 VAL 59 -5.381 -3.990 -2.967 446 3HG2 VAL 59 3HG2 VAL 59 -4.688 -5.312 -2.028 447 H THR 60 H THR 60 -6.160 -4.747 1.465 448 HA THR 60 HA THR 60 -4.986 -7.437 1.903 449 HB THR 60 HB THR 60 -6.490 -7.448 3.953 450 HG1 THR 60 HG1 THR 60 -6.736 -4.669 3.304 451 1HG2 THR 60 1HG2 THR 60 -4.428 -5.246 3.823 452 2HG2 THR 60 2HG2 THR 60 -4.096 -6.951 4.126 453 3HG2 THR 60 3HG2 THR 60 -5.029 -6.014 5.293 454 H ALA 61 H ALA 61 -7.398 -8.590 2.921 455 HA ALA 61 HA ALA 61 -8.329 -9.800 0.643 456 1HB ALA 61 1HB ALA 61 -9.767 -9.614 3.279 457 2HB ALA 61 2HB ALA 61 -8.475 -10.750 2.891 458 3HB ALA 61 3HB ALA 61 -10.014 -10.839 2.034 459 H THR 62 H THR 62 -9.973 -7.147 2.409 460 HA THR 62 HA THR 62 -12.338 -7.391 0.780 461 HB THR 62 HB THR 62 -12.669 -4.978 1.830 462 HG1 THR 62 HG1 THR 62 -11.579 -5.299 4.044 463 1HG2 THR 62 1HG2 THR 62 -13.719 -6.056 3.770 464 2HG2 THR 62 2HG2 THR 62 -12.866 -7.553 3.391 465 3HG2 THR 62 3HG2 THR 62 -14.075 -6.919 2.275 466 H GLU 63 H GLU 63 -9.745 -5.051 1.064 467 HA GLU 63 HA GLU 63 -10.401 -3.352 -1.051 468 1HB GLU 63 1HB GLU 63 -7.611 -4.077 -0.143 469 2HB GLU 63 2HB GLU 63 -8.135 -2.570 -0.882 470 1HG GLU 63 1HG GLU 63 -9.364 -1.954 1.068 471 2HG GLU 63 2HG GLU 63 -9.111 -3.537 1.796 472 H HIS 64 H HIS 64 -9.342 -6.551 -1.024 473 HA HIS 64 HA HIS 64 -7.919 -6.561 -3.489 474 1HB HIS 64 1HB HIS 64 -7.129 -8.382 -2.505 475 2HB HIS 64 2HB HIS 64 -8.419 -8.368 -1.319 476 HD1 HIS 64 HD1 HIS 64 -7.523 -9.859 -4.686 477 HD2 HIS 64 HD2 HIS 64 -10.302 -10.343 -1.616 478 HE1 HIS 64 HE1 HIS 64 -8.686 -12.038 -5.144 479 HE2 HIS 64 HE2 HIS 64 -10.274 -12.373 -3.210 480 H ALA 65 H ALA 65 -11.280 -7.480 -2.616 481 HA ALA 65 HA ALA 65 -11.644 -9.178 -4.810 482 1HB ALA 65 1HB ALA 65 -13.749 -7.617 -3.325 483 2HB ALA 65 2HB ALA 65 -13.068 -9.161 -2.814 484 3HB ALA 65 3HB ALA 65 -14.009 -9.062 -4.302 485 H GLU 66 H GLU 66 -13.212 -6.040 -4.426 486 HA GLU 66 HA GLU 66 -14.138 -6.021 -7.100 487 1HB GLU 66 1HB GLU 66 -14.593 -3.502 -6.372 488 2HB GLU 66 2HB GLU 66 -15.567 -4.838 -5.784 489 1HG GLU 66 1HG GLU 66 -15.133 -3.577 -3.869 490 2HG GLU 66 2HG GLU 66 -13.957 -4.887 -3.781 491 H ALA 67 H ALA 67 -11.571 -4.213 -5.465 492 HA ALA 67 HA ALA 67 -10.865 -2.678 -7.720 493 1HB ALA 67 1HB ALA 67 -10.296 -2.010 -5.445 494 2HB ALA 67 2HB ALA 67 -8.862 -2.088 -6.469 495 3HB ALA 67 3HB ALA 67 -9.193 -3.379 -5.315 496 H GLU 68 H GLU 68 -10.022 -5.936 -6.769 497 HA GLU 68 HA GLU 68 -7.634 -6.007 -8.340 498 1HB GLU 68 1HB GLU 68 -8.145 -7.552 -6.413 499 2HB GLU 68 2HB GLU 68 -9.254 -8.392 -7.485 500 1HG GLU 68 1HG GLU 68 -7.486 -9.077 -8.914 501 2HG GLU 68 2HG GLU 68 -6.333 -8.024 -8.088 502 H LYS 69 H LYS 69 -10.985 -7.143 -8.862 503 HA LYS 69 HA LYS 69 -10.401 -8.234 -11.388 504 1HB LYS 69 1HB LYS 69 -12.796 -8.129 -11.867 505 2HB LYS 69 2HB LYS 69 -12.483 -8.763 -10.261 506 1HG LYS 69 1HG LYS 69 -12.983 -6.454 -9.385 507 2HG LYS 69 2HG LYS 69 -13.549 -6.060 -11.012 508 1HD LYS 69 1HD LYS 69 -15.123 -7.971 -10.874 509 2HD LYS 69 2HD LYS 69 -14.610 -8.233 -9.207 510 1HE LYS 69 1HE LYS 69 -16.634 -6.996 -9.132 511 2HE LYS 69 2HE LYS 69 -15.330 -5.885 -8.716 512 1HZ LYS 69 1HZ LYS 69 -16.979 -4.955 -10.283 513 2HZ LYS 69 2HZ LYS 69 -16.515 -6.116 -11.429 514 3HZ LYS 69 3HZ LYS 69 -15.400 -4.955 -10.900 515 H ARG 70 H ARG 70 -11.516 -4.931 -10.539 516 HA ARG 70 HA ARG 70 -11.510 -4.055 -13.255 517 1HB ARG 70 1HB ARG 70 -11.634 -1.772 -12.331 518 2HB ARG 70 2HB ARG 70 -12.797 -2.858 -11.587 519 1HG ARG 70 1HG ARG 70 -11.443 -3.041 -9.611 520 2HG ARG 70 2HG ARG 70 -10.155 -2.099 -10.361 521 1HD ARG 70 1HD ARG 70 -11.370 -0.683 -8.857 522 2HD ARG 70 2HD ARG 70 -11.721 -0.181 -10.511 523 HE ARG 70 HE ARG 70 -13.887 -1.175 -10.306 524 1HH1 ARG 70 1HH1 ARG 70 -12.053 -1.019 -7.328 525 2HH1 ARG 70 2HH1 ARG 70 -13.446 -1.132 -6.298 526 1HH2 ARG 70 1HH2 ARG 70 -15.741 -1.299 -8.956 527 2HH2 ARG 70 2HH2 ARG 70 -15.545 -1.267 -7.227 528 H ALA 71 H ALA 71 -9.120 -3.679 -10.659 529 HA ALA 71 HA ALA 71 -7.459 -2.018 -12.290 530 1HB ALA 71 1HB ALA 71 -7.692 -1.668 -9.877 531 2HB ALA 71 2HB ALA 71 -6.012 -1.889 -10.368 532 3HB ALA 71 3HB ALA 71 -6.886 -3.209 -9.591 533 H ALA 72 H ALA 72 -7.640 -5.438 -11.713 534 HA ALA 72 HA ALA 72 -4.941 -5.881 -12.641 535 1HB ALA 72 1HB ALA 72 -7.203 -7.862 -12.399 536 2HB ALA 72 2HB ALA 72 -5.975 -7.542 -11.173 537 3HB ALA 72 3HB ALA 72 -5.514 -8.247 -12.722 538 H ALA 73 H ALA 73 -8.226 -5.951 -13.995 539 HA ALA 73 HA ALA 73 -7.593 -6.657 -16.613 540 1HB ALA 73 1HB ALA 73 -9.558 -5.355 -17.288 541 2HB ALA 73 2HB ALA 73 -9.591 -4.586 -15.702 542 3HB ALA 73 3HB ALA 73 -9.887 -6.318 -15.848 543 H ARG 74 H ARG 74 -7.125 -3.627 -14.901 544 HA ARG 74 HA ARG 74 -6.077 -2.230 -17.207 545 1HB ARG 74 1HB ARG 74 -7.206 -1.180 -15.183 546 2HB ARG 74 2HB ARG 74 -5.711 -1.485 -14.310 547 1HG ARG 74 1HG ARG 74 -5.117 0.553 -14.986 548 2HG ARG 74 2HG ARG 74 -4.820 -0.201 -16.555 549 1HD ARG 74 1HD ARG 74 -6.226 1.797 -16.768 550 2HD ARG 74 2HD ARG 74 -7.092 0.337 -17.257 551 HE ARG 74 HE ARG 74 -7.474 1.045 -14.486 552 1HH1 ARG 74 1HH1 ARG 74 -8.633 1.626 -17.744 553 2HH1 ARG 74 2HH1 ARG 74 -10.235 2.056 -17.231 554 1HH2 ARG 74 1HH2 ARG 74 -9.526 1.603 -13.815 555 2HH2 ARG 74 2HH2 ARG 74 -10.754 2.042 -14.972 556 H ALA 75 H ALA 75 -4.759 -4.020 -14.493 557 HA ALA 75 HA ALA 75 -2.140 -3.046 -14.463 558 1HB ALA 75 1HB ALA 75 -1.579 -5.017 -13.162 559 2HB ALA 75 2HB ALA 75 -3.089 -5.789 -13.644 560 3HB ALA 75 3HB ALA 75 -3.122 -4.343 -12.636 561 H GLY 76 H GLY 76 -3.447 -5.917 -16.132 562 1HA GLY 76 1HA GLY 76 -0.826 -6.568 -17.160 563 2HA GLY 76 2HA GLY 76 -2.323 -7.412 -17.520 564 H HIS 77 H HIS 77 -3.240 -7.079 -19.437 565 HA HIS 77 HA HIS 77 -3.648 -6.294 -21.526 566 1HB HIS 77 1HB HIS 77 -4.461 -4.283 -20.498 567 2HB HIS 77 2HB HIS 77 -2.829 -3.687 -20.230 568 HD1 HIS 77 HD1 HIS 77 -2.016 -2.057 -21.895 569 HD2 HIS 77 HD2 HIS 77 -5.087 -4.425 -23.411 570 HE1 HIS 77 HE1 HIS 77 -2.540 -1.123 -24.178 571 HE2 HIS 77 HE2 HIS 77 -4.527 -2.448 -24.987 572 H ALA 78 H ALA 78 -0.890 -4.222 -20.705 573 HA ALA 78 HA ALA 78 0.890 -5.740 -22.417 574 1HB ALA 78 1HB ALA 78 0.225 -2.856 -23.023 575 2HB ALA 78 2HB ALA 78 -0.200 -4.249 -24.017 576 3HB ALA 78 3HB ALA 78 1.492 -3.806 -23.800 577 H ALA 79 H ALA 79 1.053 -5.575 -19.760 578 HA ALA 79 HA ALA 79 2.488 -3.325 -18.779 579 1HB ALA 79 1HB ALA 79 1.128 -4.746 -17.319 580 2HB ALA 79 2HB ALA 79 2.794 -4.632 -16.751 581 3HB ALA 79 3HB ALA 79 2.244 -6.085 -17.586 582 H THR 80 H THR 80 4.230 -3.034 -20.160 583 HA THR 80 HA THR 80 6.639 -4.259 -19.383 584 HB THR 80 HB THR 80 5.769 -6.094 -20.833 585 HG1 THR 80 HG1 THR 80 8.028 -4.789 -21.997 586 1HG2 THR 80 1HG2 THR 80 5.705 -5.777 -23.274 587 2HG2 THR 80 2HG2 THR 80 5.979 -4.049 -23.049 588 3HG2 THR 80 3HG2 THR 80 4.496 -4.793 -22.451 Start of MODEL 21 1 H MET 1 H MET 1 9.524 -0.655 0.172 2 HA MET 1 HA MET 1 8.034 0.047 1.969 3 1HB MET 1 1HB MET 1 5.689 -0.148 1.768 4 2HB MET 1 2HB MET 1 6.196 0.691 0.311 5 1HG MET 1 1HG MET 1 5.534 -2.238 0.524 6 2HG MET 1 2HG MET 1 4.496 -0.989 -0.156 7 1HE MET 1 1HE MET 1 4.208 -2.445 -2.376 8 2HE MET 1 2HE MET 1 5.228 -3.687 -1.650 9 3HE MET 1 3HE MET 1 5.570 -3.107 -3.281 10 H HIS 2 H HIS 2 6.863 -1.673 3.295 11 HA HIS 2 HA HIS 2 8.171 -4.235 2.708 12 1HB HIS 2 1HB HIS 2 7.018 -3.101 5.260 13 2HB HIS 2 2HB HIS 2 7.608 -4.754 5.113 14 HD1 HIS 2 HD1 HIS 2 8.820 -2.434 6.974 15 HD2 HIS 2 HD2 HIS 2 10.357 -3.815 3.363 16 HE1 HIS 2 HE1 HIS 2 11.273 -1.880 7.025 17 HE2 HIS 2 HE2 HIS 2 12.212 -2.930 4.931 18 H ALA 3 H ALA 3 7.010 -5.708 1.744 19 HA ALA 3 HA ALA 3 4.158 -5.958 2.436 20 1HB ALA 3 1HB ALA 3 5.362 -6.272 -0.317 21 2HB ALA 3 2HB ALA 3 4.364 -4.922 0.223 22 3HB ALA 3 3HB ALA 3 3.672 -6.540 0.109 23 H LYS 4 H LYS 4 3.303 -8.110 2.249 24 HA LYS 4 HA LYS 4 5.385 -10.192 2.301 25 1HB LYS 4 1HB LYS 4 2.922 -9.957 4.043 26 2HB LYS 4 2HB LYS 4 3.955 -11.379 3.974 27 1HG LYS 4 1HG LYS 4 4.806 -8.626 4.852 28 2HG LYS 4 2HG LYS 4 4.465 -9.995 5.915 29 1HD LYS 4 1HD LYS 4 6.292 -11.246 4.946 30 2HD LYS 4 2HD LYS 4 6.587 -9.964 3.773 31 1HE LYS 4 1HE LYS 4 7.140 -8.437 5.614 32 2HE LYS 4 2HE LYS 4 6.890 -9.753 6.763 33 1HZ LYS 4 1HZ LYS 4 8.886 -9.788 4.567 34 2HZ LYS 4 2HZ LYS 4 8.693 -10.959 5.776 35 3HZ LYS 4 3HZ LYS 4 9.240 -9.409 6.182 36 H VAL 5 H VAL 5 4.332 -12.423 2.043 37 HA VAL 5 HA VAL 5 2.790 -12.453 -0.364 38 HB VAL 5 HB VAL 5 4.326 -14.244 -0.149 39 1HG1 VAL 5 1HG1 VAL 5 3.113 -14.854 2.543 40 2HG1 VAL 5 2HG1 VAL 5 4.692 -14.123 2.253 41 3HG1 VAL 5 3HG1 VAL 5 4.383 -15.786 1.752 42 1HG2 VAL 5 1HG2 VAL 5 1.609 -15.363 0.535 43 2HG2 VAL 5 2HG2 VAL 5 2.950 -16.272 -0.164 44 3HG2 VAL 5 3HG2 VAL 5 2.196 -14.968 -1.080 45 H GLY 6 H GLY 6 0.664 -12.849 -0.645 46 1HA GLY 6 1HA GLY 6 -1.535 -13.399 0.030 47 2HA GLY 6 2HA GLY 6 -0.999 -13.369 1.709 48 H ASP 7 H ASP 7 0.297 -10.802 0.051 49 HA ASP 7 HA ASP 7 -1.850 -8.980 1.025 50 1HB ASP 7 1HB ASP 7 1.120 -8.532 0.589 51 2HB ASP 7 2HB ASP 7 -0.017 -7.204 0.783 52 H TYR 8 H TYR 8 -2.160 -7.033 -0.384 53 HA TYR 8 HA TYR 8 -2.172 -7.946 -3.178 54 1HB TYR 8 1HB TYR 8 -4.058 -6.501 -1.473 55 2HB TYR 8 2HB TYR 8 -3.807 -5.712 -3.022 56 HD1 TYR 8 HD1 TYR 8 -4.250 -9.248 -1.860 57 HD2 TYR 8 HD2 TYR 8 -5.432 -6.174 -4.549 58 HE1 TYR 8 HE1 TYR 8 -5.896 -10.771 -2.876 59 HE2 TYR 8 HE2 TYR 8 -7.077 -7.691 -5.574 60 HH TYR 8 HH TYR 8 -7.282 -10.297 -5.792 61 H LEU 9 H LEU 9 -1.551 -6.676 -4.826 62 HA LEU 9 HA LEU 9 0.132 -4.373 -4.188 63 1HB LEU 9 1HB LEU 9 1.077 -6.249 -5.521 64 2HB LEU 9 2HB LEU 9 -0.139 -5.961 -6.746 65 HG LEU 9 HG LEU 9 1.762 -3.760 -6.005 66 1HD1 LEU 9 1HD1 LEU 9 3.291 -4.563 -7.743 67 2HD1 LEU 9 2HD1 LEU 9 2.320 -6.026 -7.914 68 3HD1 LEU 9 3HD1 LEU 9 3.169 -5.703 -6.403 69 1HD2 LEU 9 1HD2 LEU 9 -0.108 -3.231 -7.482 70 2HD2 LEU 9 2HD2 LEU 9 0.367 -4.535 -8.568 71 3HD2 LEU 9 3HD2 LEU 9 1.423 -3.140 -8.353 72 H VAL 10 H VAL 10 -0.433 -2.409 -4.697 73 HA VAL 10 HA VAL 10 -2.571 -1.893 -6.665 74 HB VAL 10 HB VAL 10 -2.073 -0.492 -4.023 75 1HG1 VAL 10 1HG1 VAL 10 -3.842 1.079 -4.634 76 2HG1 VAL 10 2HG1 VAL 10 -3.965 0.330 -6.226 77 3HG1 VAL 10 3HG1 VAL 10 -2.490 1.177 -5.764 78 1HG2 VAL 10 1HG2 VAL 10 -4.511 -1.888 -5.107 79 2HG2 VAL 10 2HG2 VAL 10 -4.402 -1.056 -3.555 80 3HG2 VAL 10 3HG2 VAL 10 -3.430 -2.498 -3.854 81 H VAL 11 H VAL 11 -2.153 -0.130 -8.053 82 HA VAL 11 HA VAL 11 0.473 1.147 -7.741 83 HB VAL 11 HB VAL 11 -1.340 1.135 -10.162 84 1HG1 VAL 11 1HG1 VAL 11 1.498 2.102 -9.829 85 2HG1 VAL 11 2HG1 VAL 11 0.074 3.116 -10.064 86 3HG1 VAL 11 3HG1 VAL 11 0.608 2.033 -11.351 87 1HG2 VAL 11 1HG2 VAL 11 -0.461 -1.083 -9.699 88 2HG2 VAL 11 2HG2 VAL 11 1.174 -0.428 -9.602 89 3HG2 VAL 11 3HG2 VAL 11 0.301 -0.398 -11.134 90 H LYS 12 H LYS 12 0.172 2.811 -6.383 91 HA LYS 12 HA LYS 12 -2.117 4.485 -6.349 92 1HB LYS 12 1HB LYS 12 -0.743 4.357 -4.382 93 2HB LYS 12 2HB LYS 12 0.687 4.834 -5.281 94 1HG LYS 12 1HG LYS 12 -1.389 6.842 -5.451 95 2HG LYS 12 2HG LYS 12 -0.953 6.478 -3.779 96 1HD LYS 12 1HD LYS 12 1.391 6.879 -4.282 97 2HD LYS 12 2HD LYS 12 0.997 7.173 -5.977 98 1HE LYS 12 1HE LYS 12 -0.334 9.118 -5.328 99 2HE LYS 12 2HE LYS 12 0.045 8.816 -3.632 100 1HZ LYS 12 1HZ LYS 12 2.385 9.166 -4.127 101 2HZ LYS 12 2HZ LYS 12 1.475 10.528 -4.559 102 3HZ LYS 12 3HZ LYS 12 2.019 9.461 -5.754 103 H GLY 13 H GLY 13 1.022 4.615 -7.915 104 1HA GLY 13 1HA GLY 13 1.547 5.558 -9.951 105 2HA GLY 13 2HA GLY 13 -0.086 6.196 -10.044 106 H THR 14 H THR 14 2.327 7.542 -10.744 107 HA THR 14 HA THR 14 2.679 9.511 -8.618 108 HB THR 14 HB THR 14 4.134 9.386 -11.262 109 HG1 THR 14 HG1 THR 14 4.573 7.990 -8.814 110 1HG2 THR 14 1HG2 THR 14 5.865 10.618 -10.038 111 2HG2 THR 14 2HG2 THR 14 4.850 10.610 -8.595 112 3HG2 THR 14 3HG2 THR 14 4.332 11.489 -10.034 113 H THR 15 H THR 15 1.346 9.126 -11.843 114 HA THR 15 HA THR 15 0.309 11.880 -11.676 115 HB THR 15 HB THR 15 1.159 10.767 -14.328 116 HG1 THR 15 HG1 THR 15 2.884 12.274 -12.615 117 1HG2 THR 15 1HG2 THR 15 1.007 13.566 -13.199 118 2HG2 THR 15 2HG2 THR 15 -0.174 12.818 -14.276 119 3HG2 THR 15 3HG2 THR 15 1.463 13.147 -14.849 120 H THR 16 H THR 16 -0.575 8.776 -11.713 121 HA THR 16 HA THR 16 -2.408 8.764 -13.941 122 HB THR 16 HB THR 16 -1.258 6.698 -13.350 123 HG1 THR 16 HG1 THR 16 -3.714 5.797 -12.640 124 1HG2 THR 16 1HG2 THR 16 -1.074 7.036 -10.934 125 2HG2 THR 16 2HG2 THR 16 -1.804 5.475 -11.307 126 3HG2 THR 16 3HG2 THR 16 -2.817 6.813 -10.768 127 H GLU 17 H GLU 17 -2.541 9.436 -10.555 128 HA GLU 17 HA GLU 17 -4.098 10.051 -9.083 129 1HB GLU 17 1HB GLU 17 -5.833 11.476 -9.688 130 2HB GLU 17 2HB GLU 17 -4.638 11.706 -10.946 131 1HG GLU 17 1HG GLU 17 -6.572 11.670 -12.151 132 2HG GLU 17 2HG GLU 17 -6.087 9.981 -12.251 133 H ARG 18 H ARG 18 -5.586 8.047 -11.615 134 HA ARG 18 HA ARG 18 -7.345 6.712 -9.808 135 1HB ARG 18 1HB ARG 18 -6.439 6.329 -12.606 136 2HB ARG 18 2HB ARG 18 -6.971 4.882 -11.766 137 1HG ARG 18 1HG ARG 18 -8.664 7.352 -11.859 138 2HG ARG 18 2HG ARG 18 -8.678 6.164 -13.162 139 1HD ARG 18 1HD ARG 18 -10.469 5.593 -11.732 140 2HD ARG 18 2HD ARG 18 -9.192 4.424 -11.407 141 HE ARG 18 HE ARG 18 -9.353 6.758 -9.657 142 1HH1 ARG 18 1HH1 ARG 18 -9.998 3.337 -10.142 143 2HH1 ARG 18 2HH1 ARG 18 -10.256 3.032 -8.450 144 1HH2 ARG 18 1HH2 ARG 18 -9.707 6.331 -7.434 145 2HH2 ARG 18 2HH2 ARG 18 -10.109 4.713 -6.930 146 H HIS 19 H HIS 19 -6.426 5.793 -8.059 147 HA HIS 19 HA HIS 19 -3.904 4.414 -8.205 148 1HB HIS 19 1HB HIS 19 -5.874 4.201 -5.922 149 2HB HIS 19 2HB HIS 19 -4.123 4.029 -5.875 150 HD1 HIS 19 HD1 HIS 19 -2.916 6.459 -6.811 151 HD2 HIS 19 HD2 HIS 19 -6.613 6.596 -4.916 152 HE1 HIS 19 HE1 HIS 19 -3.188 8.829 -6.033 153 HE2 HIS 19 HE2 HIS 19 -5.552 8.943 -5.172 154 H ASP 20 H ASP 20 -4.107 2.809 -9.652 155 HA ASP 20 HA ASP 20 -6.355 0.937 -9.340 156 1HB ASP 20 1HB ASP 20 -6.439 2.700 -11.245 157 2HB ASP 20 2HB ASP 20 -5.192 1.721 -12.007 158 H GLN 21 H GLN 21 -5.561 -0.735 -11.483 159 HA GLN 21 HA GLN 21 -4.374 -2.626 -11.835 160 1HB GLN 21 1HB GLN 21 -2.036 -0.932 -10.936 161 2HB GLN 21 2HB GLN 21 -1.929 -2.437 -11.842 162 1HG GLN 21 1HG GLN 21 -3.113 -1.412 -13.710 163 2HG GLN 21 2HG GLN 21 -3.257 0.091 -12.801 164 1HE2 GLN 21 1HE2 GLN 21 -0.400 -1.920 -12.756 165 2HE2 GLN 21 2HE2 GLN 21 0.621 -0.816 -13.608 166 H HIS 22 H HIS 22 -5.165 -4.081 -10.365 167 HA HIS 22 HA HIS 22 -3.772 -4.264 -7.773 168 1HB HIS 22 1HB HIS 22 -6.761 -4.582 -8.125 169 2HB HIS 22 2HB HIS 22 -5.870 -4.761 -6.625 170 HD1 HIS 22 HD1 HIS 22 -4.305 -1.906 -7.785 171 HD2 HIS 22 HD2 HIS 22 -8.198 -2.641 -6.535 172 HE1 HIS 22 HE1 HIS 22 -5.252 0.332 -7.136 173 HE2 HIS 22 HE2 HIS 22 -7.573 -0.144 -6.290 174 H ALA 23 H ALA 23 -3.435 -6.270 -6.987 175 HA ALA 23 HA ALA 23 -4.968 -8.618 -7.472 176 1HB ALA 23 1HB ALA 23 -2.423 -8.548 -9.100 177 2HB ALA 23 2HB ALA 23 -4.062 -8.546 -9.754 178 3HB ALA 23 3HB ALA 23 -3.473 -9.945 -8.857 179 H GLU 24 H GLU 24 -3.529 -10.590 -6.755 180 HA GLU 24 HA GLU 24 -2.369 -9.586 -4.247 181 1HB GLU 24 1HB GLU 24 -4.160 -11.244 -4.013 182 2HB GLU 24 2HB GLU 24 -3.238 -12.393 -4.977 183 1HG GLU 24 1HG GLU 24 -1.464 -12.357 -3.251 184 2HG GLU 24 2HG GLU 24 -2.473 -11.297 -2.274 185 H ILE 25 H ILE 25 -0.400 -10.201 -3.456 186 HA ILE 25 HA ILE 25 1.483 -11.252 -5.448 187 HB ILE 25 HB ILE 25 2.503 -10.125 -2.906 188 1HG1 ILE 25 1HG1 ILE 25 1.336 -8.313 -5.040 189 2HG1 ILE 25 2HG1 ILE 25 0.613 -8.585 -3.457 190 1HG2 ILE 25 1HG2 ILE 25 3.985 -10.863 -4.672 191 2HG2 ILE 25 2HG2 ILE 25 4.128 -9.119 -4.455 192 3HG2 ILE 25 3HG2 ILE 25 3.206 -9.766 -5.812 193 1HD1 ILE 25 1HD1 ILE 25 2.581 -7.614 -2.391 194 2HD1 ILE 25 2HD1 ILE 25 1.845 -6.488 -3.532 195 3HD1 ILE 25 3HD1 ILE 25 3.314 -7.359 -3.975 196 H ILE 26 H ILE 26 1.864 -13.377 -5.225 197 HA ILE 26 HA ILE 26 1.694 -14.527 -2.527 198 HB ILE 26 HB ILE 26 1.188 -16.643 -3.406 199 1HG1 ILE 26 1HG1 ILE 26 2.881 -16.539 -5.302 200 2HG1 ILE 26 2HG1 ILE 26 1.360 -17.324 -5.701 201 1HG2 ILE 26 1HG2 ILE 26 -0.238 -14.565 -5.095 202 2HG2 ILE 26 2HG2 ILE 26 -0.697 -15.104 -3.479 203 3HG2 ILE 26 3HG2 ILE 26 -0.793 -16.220 -4.841 204 1HD1 ILE 26 1HD1 ILE 26 2.115 -15.940 -7.517 205 2HD1 ILE 26 2HD1 ILE 26 2.165 -14.531 -6.458 206 3HD1 ILE 26 3HD1 ILE 26 0.621 -15.294 -6.839 207 H GLU 27 H GLU 27 3.877 -13.761 -5.024 208 HA GLU 27 HA GLU 27 5.972 -15.052 -3.434 209 1HB GLU 27 1HB GLU 27 5.917 -14.964 -6.458 210 2HB GLU 27 2HB GLU 27 7.258 -15.544 -5.481 211 1HG GLU 27 1HG GLU 27 5.689 -17.256 -4.522 212 2HG GLU 27 2HG GLU 27 4.519 -16.758 -5.740 213 H VAL 28 H VAL 28 6.861 -13.446 -2.451 214 HA VAL 28 HA VAL 28 7.396 -10.946 -3.918 215 HB VAL 28 HB VAL 28 7.146 -11.236 -0.924 216 1HG1 VAL 28 1HG1 VAL 28 7.152 -8.816 -2.723 217 2HG1 VAL 28 2HG1 VAL 28 8.451 -9.324 -1.646 218 3HG1 VAL 28 3HG1 VAL 28 6.910 -8.790 -0.975 219 1HG2 VAL 28 1HG2 VAL 28 4.923 -10.234 -1.120 220 2HG2 VAL 28 2HG2 VAL 28 5.006 -11.799 -1.931 221 3HG2 VAL 28 3HG2 VAL 28 5.043 -10.311 -2.879 222 H ARG 29 H ARG 29 9.488 -11.268 -4.595 223 HA ARG 29 HA ARG 29 11.429 -12.136 -2.571 224 1HB ARG 29 1HB ARG 29 11.266 -13.392 -4.770 225 2HB ARG 29 2HB ARG 29 11.905 -11.951 -5.549 226 1HG ARG 29 1HG ARG 29 13.963 -12.129 -4.314 227 2HG ARG 29 2HG ARG 29 13.314 -13.455 -3.352 228 1HD ARG 29 1HD ARG 29 14.808 -14.291 -5.077 229 2HD ARG 29 2HD ARG 29 13.157 -14.839 -5.360 230 HE ARG 29 HE ARG 29 13.427 -12.527 -6.840 231 1HH1 ARG 29 1HH1 ARG 29 15.055 -15.629 -6.689 232 2HH1 ARG 29 2HH1 ARG 29 15.448 -15.652 -8.385 233 1HH2 ARG 29 1HH2 ARG 29 13.950 -12.537 -9.068 234 2HH2 ARG 29 2HH2 ARG 29 14.840 -13.881 -9.736 235 H SER 30 H SER 30 10.640 -9.725 -2.049 236 HA SER 30 HA SER 30 13.007 -8.142 -2.536 237 1HB SER 30 1HB SER 30 11.538 -7.446 -4.398 238 2HB SER 30 2HB SER 30 10.256 -7.072 -3.246 239 HG SER 30 HG SER 30 12.671 -5.721 -3.748 240 H ALA 31 H ALA 31 13.596 -7.335 -0.638 241 HA ALA 31 HA ALA 31 11.691 -7.345 1.561 242 1HB ALA 31 1HB ALA 31 13.905 -8.336 1.903 243 2HB ALA 31 2HB ALA 31 13.625 -6.975 2.991 244 3HB ALA 31 3HB ALA 31 14.652 -6.773 1.571 245 H ASP 32 H ASP 32 13.327 -5.118 -0.528 246 HA ASP 32 HA ASP 32 12.694 -2.835 1.162 247 1HB ASP 32 1HB ASP 32 14.852 -2.931 -0.057 248 2HB ASP 32 2HB ASP 32 13.968 -2.904 -1.580 249 H GLY 33 H GLY 33 11.450 -4.499 -1.613 250 1HA GLY 33 1HA GLY 33 9.152 -4.311 -2.201 251 2HA GLY 33 2HA GLY 33 9.162 -2.661 -1.591 252 H SER 34 H SER 34 10.566 -4.687 -4.150 253 HA SER 34 HA SER 34 9.985 -2.574 -6.068 254 1HB SER 34 1HB SER 34 12.743 -3.766 -5.686 255 2HB SER 34 2HB SER 34 12.269 -2.758 -7.054 256 HG SER 34 HG SER 34 11.599 -1.587 -4.703 257 HA PRO 35 HA PRO 35 8.815 -5.975 -8.654 258 1HB PRO 35 1HB PRO 35 9.706 -4.375 -10.963 259 2HB PRO 35 2HB PRO 35 8.085 -4.936 -10.548 260 1HG PRO 35 1HG PRO 35 8.767 -2.351 -10.353 261 2HG PRO 35 2HG PRO 35 7.653 -3.113 -9.202 262 1HD PRO 35 1HD PRO 35 10.565 -2.476 -8.883 263 2HD PRO 35 2HD PRO 35 9.233 -2.267 -7.726 264 HA PRO 36 HA PRO 36 8.682 -6.869 -10.979 265 1HB PRO 36 1HB PRO 36 9.335 -9.639 -11.452 266 2HB PRO 36 2HB PRO 36 9.097 -8.351 -12.634 267 1HG PRO 36 1HG PRO 36 11.508 -9.558 -12.140 268 2HG PRO 36 2HG PRO 36 11.334 -7.920 -12.791 269 1HD PRO 36 1HD PRO 36 11.920 -8.800 -9.993 270 2HD PRO 36 2HD PRO 36 12.590 -7.432 -10.909 271 H TYR 37 H TYR 37 6.814 -7.994 -10.302 272 HA TYR 37 HA TYR 37 7.175 -9.427 -7.739 273 1HB TYR 37 1HB TYR 37 4.851 -7.796 -8.770 274 2HB TYR 37 2HB TYR 37 4.741 -8.838 -7.359 275 HD1 TYR 37 HD1 TYR 37 5.954 -5.673 -8.670 276 HD2 TYR 37 HD2 TYR 37 5.976 -8.273 -5.304 277 HE1 TYR 37 HE1 TYR 37 6.727 -3.820 -7.249 278 HE2 TYR 37 HE2 TYR 37 6.756 -6.431 -3.874 279 HH TYR 37 HH TYR 37 6.738 -3.180 -4.901 280 H VAL 38 H VAL 38 6.107 -11.420 -7.432 281 HA VAL 38 HA VAL 38 4.959 -12.540 -9.892 282 HB VAL 38 HB VAL 38 5.654 -13.968 -7.319 283 1HG1 VAL 38 1HG1 VAL 38 5.363 -16.003 -8.679 284 2HG1 VAL 38 2HG1 VAL 38 4.817 -15.002 -10.025 285 3HG1 VAL 38 3HG1 VAL 38 3.875 -15.068 -8.535 286 1HG2 VAL 38 1HG2 VAL 38 7.136 -13.862 -9.947 287 2HG2 VAL 38 2HG2 VAL 38 7.548 -14.898 -8.581 288 3HG2 VAL 38 3HG2 VAL 38 7.659 -13.144 -8.424 289 H VAL 39 H VAL 39 2.896 -12.166 -10.097 290 HA VAL 39 HA VAL 39 1.322 -11.770 -7.653 291 HB VAL 39 HB VAL 39 1.322 -10.209 -10.231 292 1HG1 VAL 39 1HG1 VAL 39 -0.994 -10.592 -9.632 293 2HG1 VAL 39 2HG1 VAL 39 -0.552 -8.916 -9.303 294 3HG1 VAL 39 3HG1 VAL 39 -0.675 -10.074 -7.978 295 1HG2 VAL 39 1HG2 VAL 39 1.738 -9.436 -7.344 296 2HG2 VAL 39 2HG2 VAL 39 1.716 -8.317 -8.708 297 3HG2 VAL 39 3HG2 VAL 39 2.981 -9.542 -8.592 298 H ARG 40 H ARG 40 -0.262 -13.039 -7.391 299 HA ARG 40 HA ARG 40 -1.477 -14.484 -9.629 300 1HB ARG 40 1HB ARG 40 -0.567 -15.829 -7.785 301 2HB ARG 40 2HB ARG 40 -1.566 -14.950 -6.640 302 1HG ARG 40 1HG ARG 40 -3.570 -15.839 -7.735 303 2HG ARG 40 2HG ARG 40 -2.536 -16.765 -8.829 304 1HD ARG 40 1HD ARG 40 -1.556 -17.938 -6.934 305 2HD ARG 40 2HD ARG 40 -2.547 -16.993 -5.823 306 HE ARG 40 HE ARG 40 -3.833 -18.675 -7.852 307 1HH1 ARG 40 1HH1 ARG 40 -3.121 -17.961 -4.499 308 2HH1 ARG 40 2HH1 ARG 40 -4.348 -19.013 -3.864 309 1HH2 ARG 40 1HH2 ARG 40 -5.495 -20.057 -7.016 310 2HH2 ARG 40 2HH2 ARG 40 -5.682 -20.211 -5.295 311 H TRP 41 H TRP 41 -3.567 -14.153 -10.114 312 HA TRP 41 HA TRP 41 -4.884 -11.868 -8.814 313 1HB TRP 41 1HB TRP 41 -5.550 -13.252 -11.438 314 2HB TRP 41 2HB TRP 41 -6.191 -11.718 -10.868 315 HD1 TRP 41 HD1 TRP 41 -2.445 -12.194 -10.468 316 HE1 TRP 41 HE1 TRP 41 -1.217 -10.725 -12.180 317 HE3 TRP 41 HE3 TRP 41 -6.434 -10.735 -13.275 318 HZ2 TRP 41 HZ2 TRP 41 -1.852 -9.150 -14.414 319 HZ3 TRP 41 HZ3 TRP 41 -6.036 -9.239 -15.165 320 HH2 TRP 41 HH2 TRP 41 -3.799 -8.466 -15.741 321 H LEU 42 H LEU 42 -6.452 -12.335 -7.394 322 HA LEU 42 HA LEU 42 -7.018 -15.116 -6.928 323 1HB LEU 42 1HB LEU 42 -8.244 -12.770 -5.506 324 2HB LEU 42 2HB LEU 42 -8.068 -14.411 -4.915 325 HG LEU 42 HG LEU 42 -5.957 -12.303 -5.222 326 1HD1 LEU 42 1HD1 LEU 42 -5.551 -12.811 -2.881 327 2HD1 LEU 42 2HD1 LEU 42 -6.817 -14.038 -2.920 328 3HD1 LEU 42 3HD1 LEU 42 -7.227 -12.339 -3.153 329 1HD2 LEU 42 1HD2 LEU 42 -5.513 -15.247 -4.772 330 2HD2 LEU 42 2HD2 LEU 42 -4.285 -13.987 -4.646 331 3HD2 LEU 42 3HD2 LEU 42 -5.044 -14.328 -6.202 332 H VAL 43 H VAL 43 -8.994 -12.274 -7.743 333 HA VAL 43 HA VAL 43 -11.286 -14.024 -8.040 334 HB VAL 43 HB VAL 43 -12.381 -11.678 -8.506 335 1HG1 VAL 43 1HG1 VAL 43 -12.822 -11.468 -6.099 336 2HG1 VAL 43 2HG1 VAL 43 -11.504 -12.593 -5.771 337 3HG1 VAL 43 3HG1 VAL 43 -12.938 -13.144 -6.638 338 1HG2 VAL 43 1HG2 VAL 43 -11.327 -9.900 -7.200 339 2HG2 VAL 43 2HG2 VAL 43 -10.303 -10.412 -8.542 340 3HG2 VAL 43 3HG2 VAL 43 -9.943 -10.950 -6.901 341 H ASN 44 H ASN 44 -8.918 -12.490 -9.949 342 HA ASN 44 HA ASN 44 -10.521 -12.575 -12.361 343 1HB ASN 44 1HB ASN 44 -7.638 -11.928 -11.806 344 2HB ASN 44 2HB ASN 44 -8.230 -12.128 -13.452 345 1HD2 ASN 44 1HD2 ASN 44 -8.408 -10.214 -10.551 346 2HD2 ASN 44 2HD2 ASN 44 -9.128 -8.824 -11.297 347 H GLY 45 H GLY 45 -8.047 -14.549 -10.805 348 1HA GLY 45 1HA GLY 45 -7.877 -16.873 -11.016 349 2HA GLY 45 2HA GLY 45 -8.927 -16.802 -12.422 350 H HIS 46 H HIS 46 -6.019 -14.876 -11.968 351 HA HIS 46 HA HIS 46 -4.735 -16.457 -14.093 352 1HB HIS 46 1HB HIS 46 -5.129 -13.513 -13.895 353 2HB HIS 46 2HB HIS 46 -3.579 -14.073 -14.514 354 HD1 HIS 46 HD1 HIS 46 -4.511 -12.806 -16.735 355 HD2 HIS 46 HD2 HIS 46 -6.353 -16.389 -15.686 356 HE1 HIS 46 HE1 HIS 46 -5.709 -13.588 -18.798 357 HE2 HIS 46 HE2 HIS 46 -6.627 -15.850 -18.204 358 H GLU 47 H GLU 47 -2.335 -16.153 -14.129 359 HA GLU 47 HA GLU 47 -1.199 -15.369 -11.549 360 1HB GLU 47 1HB GLU 47 -1.704 -17.937 -11.850 361 2HB GLU 47 2HB GLU 47 -0.245 -17.903 -12.827 362 1HG GLU 47 1HG GLU 47 1.069 -17.183 -10.984 363 2HG GLU 47 2HG GLU 47 -0.368 -16.903 -10.000 364 H THR 48 H THR 48 0.429 -14.006 -11.928 365 HA THR 48 HA THR 48 1.712 -14.049 -14.580 366 HB THR 48 HB THR 48 1.372 -11.598 -14.741 367 HG1 THR 48 HG1 THR 48 0.419 -12.015 -12.213 368 1HG2 THR 48 1HG2 THR 48 -1.207 -13.151 -14.437 369 2HG2 THR 48 2HG2 THR 48 -0.216 -13.078 -15.894 370 3HG2 THR 48 3HG2 THR 48 -1.020 -11.623 -15.302 371 H THR 49 H THR 49 3.554 -12.536 -14.721 372 HA THR 49 HA THR 49 4.664 -11.708 -12.112 373 HB THR 49 HB THR 49 6.210 -12.175 -14.679 374 HG1 THR 49 HG1 THR 49 5.279 -13.931 -12.836 375 1HG2 THR 49 1HG2 THR 49 8.179 -12.053 -13.244 376 2HG2 THR 49 2HG2 THR 49 7.154 -11.790 -11.833 377 3HG2 THR 49 3HG2 THR 49 7.231 -10.571 -13.105 378 H VAL 50 H VAL 50 4.010 -9.607 -11.904 379 HA VAL 50 HA VAL 50 3.581 -8.083 -14.371 380 HB VAL 50 HB VAL 50 2.138 -6.615 -13.082 381 1HG1 VAL 50 1HG1 VAL 50 0.335 -8.188 -12.598 382 2HG1 VAL 50 2HG1 VAL 50 1.483 -9.524 -12.662 383 3HG1 VAL 50 3HG1 VAL 50 1.148 -8.577 -14.113 384 1HG2 VAL 50 1HG2 VAL 50 3.260 -6.709 -10.933 385 2HG2 VAL 50 2HG2 VAL 50 2.789 -8.397 -10.738 386 3HG2 VAL 50 3HG2 VAL 50 1.557 -7.134 -10.754 387 H TYR 51 H TYR 51 4.128 -5.946 -14.572 388 HA TYR 51 HA TYR 51 5.967 -4.805 -12.568 389 1HB TYR 51 1HB TYR 51 5.836 -4.174 -15.533 390 2HB TYR 51 2HB TYR 51 6.946 -3.454 -14.373 391 HD1 TYR 51 HD1 TYR 51 6.153 -6.463 -16.317 392 HD2 TYR 51 HD2 TYR 51 8.891 -4.678 -13.590 393 HE1 TYR 51 HE1 TYR 51 7.784 -8.237 -16.803 394 HE2 TYR 51 HE2 TYR 51 10.528 -6.451 -14.068 395 HH TYR 51 HH TYR 51 10.187 -8.613 -16.682 396 HA PRO 52 HA PRO 52 2.065 -2.526 -12.159 397 1HB PRO 52 1HB PRO 52 2.866 -1.176 -9.898 398 2HB PRO 52 2HB PRO 52 2.174 -2.801 -9.895 399 1HG PRO 52 1HG PRO 52 5.035 -1.957 -9.715 400 2HG PRO 52 2HG PRO 52 4.189 -3.256 -8.854 401 1HD PRO 52 1HD PRO 52 5.795 -3.735 -10.964 402 2HD PRO 52 2HD PRO 52 4.348 -4.711 -10.633 403 H GLY 53 H GLY 53 5.191 -0.897 -11.534 404 1HA GLY 53 1HA GLY 53 5.579 0.985 -13.224 405 2HA GLY 53 2HA GLY 53 4.028 1.572 -12.634 406 H SER 54 H SER 54 4.159 3.083 -11.127 407 HA SER 54 HA SER 54 6.383 2.968 -9.213 408 1HB SER 54 1HB SER 54 5.298 5.463 -10.547 409 2HB SER 54 2HB SER 54 6.528 5.431 -9.284 410 HG SER 54 HG SER 54 7.270 5.555 -11.551 411 H ASP 55 H ASP 55 5.960 3.901 -7.168 412 HA ASP 55 HA ASP 55 4.737 4.269 -5.296 413 1HB ASP 55 1HB ASP 55 2.831 5.416 -7.333 414 2HB ASP 55 2HB ASP 55 2.461 5.404 -5.614 415 H ALA 56 H ALA 56 4.789 1.744 -5.747 416 HA ALA 56 HA ALA 56 2.118 0.651 -6.033 417 1HB ALA 56 1HB ALA 56 3.180 -1.530 -5.887 418 2HB ALA 56 2HB ALA 56 4.717 -0.773 -5.471 419 3HB ALA 56 3HB ALA 56 4.009 -0.513 -7.065 420 H VAL 57 H VAL 57 0.776 0.417 -4.428 421 HA VAL 57 HA VAL 57 1.745 0.568 -1.656 422 HB VAL 57 HB VAL 57 -1.108 0.823 -2.619 423 1HG1 VAL 57 1HG1 VAL 57 0.206 1.731 -0.066 424 2HG1 VAL 57 2HG1 VAL 57 -0.865 0.341 -0.244 425 3HG1 VAL 57 3HG1 VAL 57 -1.484 1.971 -0.504 426 1HG2 VAL 57 1HG2 VAL 57 -0.833 3.254 -2.494 427 2HG2 VAL 57 2HG2 VAL 57 0.218 2.536 -3.718 428 3HG2 VAL 57 3HG2 VAL 57 0.885 3.033 -2.162 429 H VAL 58 H VAL 58 0.642 -0.845 -0.079 430 HA VAL 58 HA VAL 58 -0.133 -3.409 -1.294 431 HB VAL 58 HB VAL 58 2.070 -3.685 -0.421 432 1HG1 VAL 58 1HG1 VAL 58 2.189 -1.802 1.088 433 2HG1 VAL 58 2HG1 VAL 58 2.642 -3.285 1.928 434 3HG1 VAL 58 3HG1 VAL 58 1.046 -2.579 2.185 435 1HG2 VAL 58 1HG2 VAL 58 1.735 -5.429 1.254 436 2HG2 VAL 58 2HG2 VAL 58 0.566 -5.551 -0.061 437 3HG2 VAL 58 3HG2 VAL 58 0.079 -4.877 1.495 438 H VAL 59 H VAL 59 -2.133 -3.973 -0.848 439 HA VAL 59 HA VAL 59 -3.428 -3.030 1.600 440 HB VAL 59 HB VAL 59 -5.497 -3.477 0.181 441 1HG1 VAL 59 1HG1 VAL 59 -3.701 -1.182 -0.526 442 2HG1 VAL 59 2HG1 VAL 59 -4.806 -1.245 0.848 443 3HG1 VAL 59 3HG1 VAL 59 -5.442 -1.240 -0.796 444 1HG2 VAL 59 1HG2 VAL 59 -5.220 -3.204 -2.224 445 2HG2 VAL 59 2HG2 VAL 59 -4.446 -4.671 -1.623 446 3HG2 VAL 59 3HG2 VAL 59 -3.471 -3.252 -2.006 447 H THR 60 H THR 60 -5.457 -4.462 1.982 448 HA THR 60 HA THR 60 -4.618 -7.218 2.310 449 HB THR 60 HB THR 60 -7.075 -7.361 3.193 450 HG1 THR 60 HG1 THR 60 -7.094 -4.795 3.945 451 1HG2 THR 60 1HG2 THR 60 -6.351 -6.442 5.361 452 2HG2 THR 60 2HG2 THR 60 -4.965 -5.693 4.567 453 3HG2 THR 60 3HG2 THR 60 -5.105 -7.448 4.623 454 H ALA 61 H ALA 61 -6.261 -8.949 1.835 455 HA ALA 61 HA ALA 61 -6.155 -9.152 -0.986 456 1HB ALA 61 1HB ALA 61 -5.709 -11.041 0.494 457 2HB ALA 61 2HB ALA 61 -6.989 -11.411 -0.661 458 3HB ALA 61 3HB ALA 61 -7.394 -11.033 1.013 459 H THR 62 H THR 62 -8.985 -9.451 1.191 460 HA THR 62 HA THR 62 -10.646 -9.661 -1.154 461 HB THR 62 HB THR 62 -12.461 -9.779 0.670 462 HG1 THR 62 HG1 THR 62 -11.435 -9.194 2.507 463 1HG2 THR 62 1HG2 THR 62 -12.017 -12.173 0.987 464 2HG2 THR 62 2HG2 THR 62 -10.370 -11.935 0.400 465 3HG2 THR 62 3HG2 THR 62 -11.737 -11.678 -0.683 466 H GLU 63 H GLU 63 -9.837 -7.271 1.208 467 HA GLU 63 HA GLU 63 -11.940 -5.481 0.985 468 1HB GLU 63 1HB GLU 63 -10.020 -5.203 2.520 469 2HB GLU 63 2HB GLU 63 -8.978 -4.868 1.145 470 1HG GLU 63 1HG GLU 63 -10.285 -2.864 0.648 471 2HG GLU 63 2HG GLU 63 -11.306 -3.190 2.050 472 H HIS 64 H HIS 64 -8.947 -5.528 -0.891 473 HA HIS 64 HA HIS 64 -10.044 -3.712 -2.824 474 1HB HIS 64 1HB HIS 64 -7.327 -4.816 -2.340 475 2HB HIS 64 2HB HIS 64 -7.710 -4.101 -3.909 476 HD1 HIS 64 HD1 HIS 64 -7.092 -1.694 -3.967 477 HD2 HIS 64 HD2 HIS 64 -8.374 -2.860 -0.198 478 HE1 HIS 64 HE1 HIS 64 -7.017 0.381 -2.560 479 HE2 HIS 64 HE2 HIS 64 -8.047 -0.303 -0.370 480 H ALA 65 H ALA 65 -10.078 -7.084 -2.561 481 HA ALA 65 HA ALA 65 -9.364 -8.139 -4.961 482 1HB ALA 65 1HB ALA 65 -10.086 -9.431 -3.006 483 2HB ALA 65 2HB ALA 65 -10.850 -9.977 -4.499 484 3HB ALA 65 3HB ALA 65 -11.759 -8.993 -3.352 485 H GLU 66 H GLU 66 -12.492 -6.577 -4.291 486 HA GLU 66 HA GLU 66 -13.708 -7.230 -6.769 487 1HB GLU 66 1HB GLU 66 -14.175 -4.667 -5.245 488 2HB GLU 66 2HB GLU 66 -15.321 -5.558 -6.236 489 1HG GLU 66 1HG GLU 66 -15.372 -7.360 -4.589 490 2HG GLU 66 2HG GLU 66 -14.184 -6.503 -3.606 491 H ALA 67 H ALA 67 -11.873 -4.484 -5.668 492 HA ALA 67 HA ALA 67 -11.643 -3.149 -8.131 493 1HB ALA 67 1HB ALA 67 -9.875 -1.869 -7.067 494 2HB ALA 67 2HB ALA 67 -9.816 -3.025 -5.737 495 3HB ALA 67 3HB ALA 67 -11.255 -2.039 -5.983 496 H GLU 68 H GLU 68 -10.109 -6.024 -6.895 497 HA GLU 68 HA GLU 68 -7.886 -5.950 -8.686 498 1HB GLU 68 1HB GLU 68 -7.952 -7.572 -6.795 499 2HB GLU 68 2HB GLU 68 -9.255 -8.433 -7.611 500 1HG GLU 68 1HG GLU 68 -7.543 -8.495 -9.601 501 2HG GLU 68 2HG GLU 68 -6.363 -8.247 -8.320 502 H LYS 69 H LYS 69 -11.203 -7.220 -8.921 503 HA LYS 69 HA LYS 69 -11.114 -8.321 -11.464 504 1HB LYS 69 1HB LYS 69 -13.292 -6.571 -10.290 505 2HB LYS 69 2HB LYS 69 -13.472 -7.556 -11.732 506 1HG LYS 69 1HG LYS 69 -12.739 -8.755 -9.082 507 2HG LYS 69 2HG LYS 69 -14.415 -8.454 -9.545 508 1HD LYS 69 1HD LYS 69 -13.888 -9.782 -11.663 509 2HD LYS 69 2HD LYS 69 -12.419 -10.299 -10.828 510 1HE LYS 69 1HE LYS 69 -13.781 -11.170 -8.989 511 2HE LYS 69 2HE LYS 69 -15.244 -10.668 -9.832 512 1HZ LYS 69 1HZ LYS 69 -13.291 -12.700 -10.766 513 2HZ LYS 69 2HZ LYS 69 -14.650 -12.194 -11.637 514 3HZ LYS 69 3HZ LYS 69 -14.843 -13.003 -10.160 515 H ARG 70 H ARG 70 -12.004 -4.997 -10.634 516 HA ARG 70 HA ARG 70 -11.998 -3.923 -13.228 517 1HB ARG 70 1HB ARG 70 -12.958 -2.779 -11.305 518 2HB ARG 70 2HB ARG 70 -11.369 -2.617 -10.577 519 1HG ARG 70 1HG ARG 70 -11.622 -0.535 -11.449 520 2HG ARG 70 2HG ARG 70 -10.833 -1.339 -12.807 521 1HD ARG 70 1HD ARG 70 -12.546 -0.725 -14.071 522 2HD ARG 70 2HD ARG 70 -13.560 -1.824 -13.135 523 HE ARG 70 HE ARG 70 -13.374 0.527 -11.679 524 1HH1 ARG 70 1HH1 ARG 70 -14.615 -0.474 -14.786 525 2HH1 ARG 70 2HH1 ARG 70 -15.855 0.739 -14.827 526 1HH2 ARG 70 1HH2 ARG 70 -14.983 2.128 -11.714 527 2HH2 ARG 70 2HH2 ARG 70 -16.073 2.232 -13.070 528 H ALA 71 H ALA 71 -9.463 -3.649 -10.786 529 HA ALA 71 HA ALA 71 -7.838 -2.071 -12.522 530 1HB ALA 71 1HB ALA 71 -6.398 -1.833 -10.601 531 2HB ALA 71 2HB ALA 71 -7.290 -3.096 -9.755 532 3HB ALA 71 3HB ALA 71 -8.084 -1.573 -10.154 533 H ALA 72 H ALA 72 -7.938 -5.473 -11.777 534 HA ALA 72 HA ALA 72 -5.212 -5.865 -12.672 535 1HB ALA 72 1HB ALA 72 -5.689 -8.252 -12.614 536 2HB ALA 72 2HB ALA 72 -7.393 -7.915 -12.306 537 3HB ALA 72 3HB ALA 72 -6.175 -7.474 -11.109 538 H ALA 73 H ALA 73 -8.490 -6.079 -14.018 539 HA ALA 73 HA ALA 73 -7.841 -6.891 -16.600 540 1HB ALA 73 1HB ALA 73 -10.139 -6.510 -15.849 541 2HB ALA 73 2HB ALA 73 -9.800 -5.627 -17.337 542 3HB ALA 73 3HB ALA 73 -9.836 -4.773 -15.793 543 H ARG 74 H ARG 74 -7.512 -3.738 -15.046 544 HA ARG 74 HA ARG 74 -6.382 -2.442 -17.341 545 1HB ARG 74 1HB ARG 74 -7.446 -1.315 -15.338 546 2HB ARG 74 2HB ARG 74 -5.960 -1.660 -14.463 547 1HG ARG 74 1HG ARG 74 -5.763 0.553 -15.216 548 2HG ARG 74 2HG ARG 74 -4.749 -0.405 -16.298 549 1HD ARG 74 1HD ARG 74 -6.657 -0.484 -17.901 550 2HD ARG 74 2HD ARG 74 -7.529 0.622 -16.842 551 HE ARG 74 HE ARG 74 -5.253 1.246 -18.548 552 1HH1 ARG 74 1HH1 ARG 74 -7.420 2.342 -16.009 553 2HH1 ARG 74 2HH1 ARG 74 -7.164 4.030 -16.360 554 1HH2 ARG 74 1HH2 ARG 74 -4.941 3.430 -19.012 555 2HH2 ARG 74 2HH2 ARG 74 -5.775 4.650 -18.093 556 H ALA 75 H ALA 75 -4.886 -3.661 -14.336 557 HA ALA 75 HA ALA 75 -2.230 -3.007 -14.724 558 1HB ALA 75 1HB ALA 75 -3.126 -3.965 -12.665 559 2HB ALA 75 2HB ALA 75 -1.699 -4.844 -13.217 560 3HB ALA 75 3HB ALA 75 -3.307 -5.529 -13.462 561 H GLY 76 H GLY 76 -3.736 -6.131 -15.597 562 1HA GLY 76 1HA GLY 76 -1.320 -6.734 -17.156 563 2HA GLY 76 2HA GLY 76 -2.520 -7.909 -16.642 564 H HIS 77 H HIS 77 -2.922 -4.794 -18.277 565 HA HIS 77 HA HIS 77 -4.506 -6.012 -20.373 566 1HB HIS 77 1HB HIS 77 -4.960 -3.718 -19.418 567 2HB HIS 77 2HB HIS 77 -3.483 -3.166 -20.196 568 HD1 HIS 77 HD1 HIS 77 -3.523 -2.954 -22.799 569 HD2 HIS 77 HD2 HIS 77 -7.151 -4.049 -21.099 570 HE1 HIS 77 HE1 HIS 77 -5.240 -2.599 -24.595 571 HE2 HIS 77 HE2 HIS 77 -7.450 -3.099 -23.490 572 H ALA 78 H ALA 78 -1.258 -5.158 -19.764 573 HA ALA 78 HA ALA 78 -0.308 -6.428 -22.122 574 1HB ALA 78 1HB ALA 78 0.068 -3.436 -21.935 575 2HB ALA 78 2HB ALA 78 -0.893 -4.288 -23.144 576 3HB ALA 78 3HB ALA 78 0.857 -4.499 -23.099 577 H ALA 79 H ALA 79 2.090 -6.418 -22.163 578 HA ALA 79 HA ALA 79 3.292 -5.663 -19.588 579 1HB ALA 79 1HB ALA 79 2.827 -8.063 -19.505 580 2HB ALA 79 2HB ALA 79 4.563 -7.752 -19.540 581 3HB ALA 79 3HB ALA 79 3.734 -8.297 -21.000 582 H THR 80 H THR 80 3.957 -6.841 -22.866 583 HA THR 80 HA THR 80 5.829 -4.698 -23.327 584 HB THR 80 HB THR 80 6.850 -7.550 -23.493 585 HG1 THR 80 HG1 THR 80 6.802 -5.751 -21.406 586 1HG2 THR 80 1HG2 THR 80 7.855 -6.011 -25.116 587 2HG2 THR 80 2HG2 THR 80 9.023 -6.483 -23.883 588 3HG2 THR 80 3HG2 THR 80 8.260 -4.895 -23.813 Start of MODEL 22 1 H MET 1 H MET 1 9.373 0.211 0.527 2 HA MET 1 HA MET 1 7.777 1.266 2.779 3 1HB MET 1 1HB MET 1 5.793 0.358 1.655 4 2HB MET 1 2HB MET 1 6.537 1.632 0.702 5 1HG MET 1 1HG MET 1 7.545 -0.032 -0.761 6 2HG MET 1 2HG MET 1 6.840 -1.324 0.212 7 1HE MET 1 1HE MET 1 5.674 -2.444 -1.878 8 2HE MET 1 2HE MET 1 6.455 -1.232 -2.892 9 3HE MET 1 3HE MET 1 4.727 -1.543 -3.062 10 H HIS 2 H HIS 2 6.114 -1.008 2.861 11 HA HIS 2 HA HIS 2 7.945 -3.287 3.158 12 1HB HIS 2 1HB HIS 2 6.302 -2.019 5.322 13 2HB HIS 2 2HB HIS 2 6.531 -3.762 5.337 14 HD1 HIS 2 HD1 HIS 2 9.502 -1.997 4.106 15 HD2 HIS 2 HD2 HIS 2 7.965 -3.149 7.794 16 HE1 HIS 2 HE1 HIS 2 11.426 -1.851 5.720 17 HE2 HIS 2 HE2 HIS 2 10.515 -2.693 7.906 18 H ALA 3 H ALA 3 7.128 -4.880 1.997 19 HA ALA 3 HA ALA 3 4.239 -5.397 2.090 20 1HB ALA 3 1HB ALA 3 4.155 -5.747 -0.321 21 2HB ALA 3 2HB ALA 3 5.854 -5.292 -0.458 22 3HB ALA 3 3HB ALA 3 4.660 -4.097 0.050 23 H LYS 4 H LYS 4 3.701 -7.569 1.983 24 HA LYS 4 HA LYS 4 5.876 -9.467 1.587 25 1HB LYS 4 1HB LYS 4 5.275 -10.716 3.631 26 2HB LYS 4 2HB LYS 4 5.919 -9.120 3.971 27 1HG LYS 4 1HG LYS 4 2.965 -9.600 3.879 28 2HG LYS 4 2HG LYS 4 3.906 -9.971 5.323 29 1HD LYS 4 1HD LYS 4 4.762 -7.588 5.213 30 2HD LYS 4 2HD LYS 4 3.525 -7.297 3.988 31 1HE LYS 4 1HE LYS 4 2.972 -8.343 6.761 32 2HE LYS 4 2HE LYS 4 2.848 -6.649 6.295 33 1HZ LYS 4 1HZ LYS 4 1.010 -7.065 4.980 34 2HZ LYS 4 2HZ LYS 4 0.747 -8.097 6.292 35 3HZ LYS 4 3HZ LYS 4 1.336 -8.716 4.827 36 H VAL 5 H VAL 5 5.102 -11.721 1.511 37 HA VAL 5 HA VAL 5 2.995 -11.998 -0.360 38 HB VAL 5 HB VAL 5 4.851 -13.552 -0.371 39 1HG1 VAL 5 1HG1 VAL 5 5.244 -15.151 1.446 40 2HG1 VAL 5 2HG1 VAL 5 3.979 -14.371 2.395 41 3HG1 VAL 5 3HG1 VAL 5 5.444 -13.481 1.977 42 1HG2 VAL 5 1HG2 VAL 5 3.709 -15.704 -0.387 43 2HG2 VAL 5 2HG2 VAL 5 2.703 -14.453 -1.120 44 3HG2 VAL 5 3HG2 VAL 5 2.366 -15.009 0.520 45 H GLY 6 H GLY 6 0.965 -12.957 -0.152 46 1HA GLY 6 1HA GLY 6 -0.926 -13.729 1.053 47 2HA GLY 6 2HA GLY 6 -0.101 -13.329 2.558 48 H ASP 7 H ASP 7 0.123 -11.109 0.048 49 HA ASP 7 HA ASP 7 -2.012 -9.289 1.142 50 1HB ASP 7 1HB ASP 7 0.960 -8.681 0.942 51 2HB ASP 7 2HB ASP 7 -0.280 -7.437 1.042 52 H TYR 8 H TYR 8 -1.633 -7.198 -0.246 53 HA TYR 8 HA TYR 8 -1.774 -8.107 -3.048 54 1HB TYR 8 1HB TYR 8 -3.878 -6.552 -1.513 55 2HB TYR 8 2HB TYR 8 -3.902 -6.797 -3.249 56 HD1 TYR 8 HD1 TYR 8 -4.367 -8.430 0.028 57 HD2 TYR 8 HD2 TYR 8 -4.667 -8.835 -4.193 58 HE1 TYR 8 HE1 TYR 8 -5.789 -10.430 0.309 59 HE2 TYR 8 HE2 TYR 8 -6.070 -10.837 -3.918 60 HH TYR 8 HH TYR 8 -6.337 -12.621 -2.030 61 H LEU 9 H LEU 9 -2.157 -6.165 -4.488 62 HA LEU 9 HA LEU 9 -0.514 -3.914 -3.580 63 1HB LEU 9 1HB LEU 9 1.054 -5.571 -4.407 64 2HB LEU 9 2HB LEU 9 0.106 -5.807 -5.856 65 HG LEU 9 HG LEU 9 1.386 -3.136 -5.313 66 1HD1 LEU 9 1HD1 LEU 9 3.342 -3.887 -6.555 67 2HD1 LEU 9 2HD1 LEU 9 2.694 -5.527 -6.596 68 3HD1 LEU 9 3HD1 LEU 9 3.148 -4.793 -5.057 69 1HD2 LEU 9 1HD2 LEU 9 0.716 -4.629 -7.850 70 2HD2 LEU 9 2HD2 LEU 9 1.406 -3.009 -7.751 71 3HD2 LEU 9 3HD2 LEU 9 -0.227 -3.309 -7.156 72 H VAL 10 H VAL 10 -0.875 -2.043 -4.654 73 HA VAL 10 HA VAL 10 -2.630 -2.024 -7.001 74 HB VAL 10 HB VAL 10 -3.095 -0.044 -4.771 75 1HG1 VAL 10 1HG1 VAL 10 -5.262 0.261 -5.839 76 2HG1 VAL 10 2HG1 VAL 10 -4.853 -0.967 -7.038 77 3HG1 VAL 10 3HG1 VAL 10 -3.945 0.545 -6.978 78 1HG2 VAL 10 1HG2 VAL 10 -3.531 -2.237 -3.808 79 2HG2 VAL 10 2HG2 VAL 10 -4.602 -2.619 -5.155 80 3HG2 VAL 10 3HG2 VAL 10 -5.026 -1.328 -4.030 81 H VAL 11 H VAL 11 -2.753 0.381 -7.720 82 HA VAL 11 HA VAL 11 -0.215 1.788 -7.240 83 HB VAL 11 HB VAL 11 -1.421 1.085 -9.922 84 1HG1 VAL 11 1HG1 VAL 11 0.229 2.551 -10.967 85 2HG1 VAL 11 2HG1 VAL 11 0.751 3.108 -9.377 86 3HG1 VAL 11 3HG1 VAL 11 -0.879 3.467 -9.946 87 1HG2 VAL 11 1HG2 VAL 11 0.827 0.234 -10.394 88 2HG2 VAL 11 2HG2 VAL 11 0.116 -0.550 -8.982 89 3HG2 VAL 11 3HG2 VAL 11 1.341 0.701 -8.773 90 H LYS 12 H LYS 12 -0.428 3.873 -6.956 91 HA LYS 12 HA LYS 12 -3.063 4.914 -6.508 92 1HB LYS 12 1HB LYS 12 -0.318 6.129 -6.181 93 2HB LYS 12 2HB LYS 12 -1.809 6.885 -5.640 94 1HG LYS 12 1HG LYS 12 -2.141 5.289 -3.963 95 2HG LYS 12 2HG LYS 12 -0.990 4.163 -4.688 96 1HD LYS 12 1HD LYS 12 0.853 5.615 -4.133 97 2HD LYS 12 2HD LYS 12 -0.253 6.854 -3.539 98 1HE LYS 12 1HE LYS 12 -0.010 4.091 -2.366 99 2HE LYS 12 2HE LYS 12 0.853 5.503 -1.757 100 1HZ LYS 12 1HZ LYS 12 -1.389 6.560 -1.490 101 2HZ LYS 12 2HZ LYS 12 -1.063 5.268 -0.443 102 3HZ LYS 12 3HZ LYS 12 -2.075 5.036 -1.784 103 H GLY 13 H GLY 13 -2.420 7.658 -6.938 104 1HA GLY 13 1HA GLY 13 -1.755 8.795 -9.174 105 2HA GLY 13 2HA GLY 13 -3.068 7.791 -9.787 106 H THR 14 H THR 14 -5.171 8.229 -9.225 107 HA THR 14 HA THR 14 -6.994 9.315 -8.421 108 HB THR 14 HB THR 14 -5.144 10.903 -6.638 109 HG1 THR 14 HG1 THR 14 -5.629 8.286 -6.662 110 1HG2 THR 14 1HG2 THR 14 -7.429 11.797 -6.822 111 2HG2 THR 14 2HG2 THR 14 -7.128 11.127 -5.219 112 3HG2 THR 14 3HG2 THR 14 -8.079 10.215 -6.390 113 H THR 15 H THR 15 -4.223 11.380 -9.169 114 HA THR 15 HA THR 15 -5.826 13.633 -9.944 115 HB THR 15 HB THR 15 -3.636 14.464 -10.897 116 HG1 THR 15 HG1 THR 15 -1.998 13.123 -10.999 117 1HG2 THR 15 1HG2 THR 15 -2.585 14.777 -8.689 118 2HG2 THR 15 2HG2 THR 15 -3.650 13.541 -8.020 119 3HG2 THR 15 3HG2 THR 15 -4.326 15.049 -8.635 120 H THR 16 H THR 16 -5.414 10.701 -11.319 121 HA THR 16 HA THR 16 -6.471 11.643 -13.841 122 HB THR 16 HB THR 16 -4.067 9.796 -13.840 123 HG1 THR 16 HG1 THR 16 -4.257 12.540 -13.838 124 1HG2 THR 16 1HG2 THR 16 -4.103 10.164 -16.265 125 2HG2 THR 16 2HG2 THR 16 -5.542 11.170 -16.094 126 3HG2 THR 16 3HG2 THR 16 -5.615 9.451 -15.705 127 H GLU 17 H GLU 17 -5.000 8.534 -12.982 128 HA GLU 17 HA GLU 17 -7.678 7.342 -12.898 129 1HB GLU 17 1HB GLU 17 -4.964 6.037 -13.215 130 2HB GLU 17 2HB GLU 17 -6.499 5.175 -13.165 131 1HG GLU 17 1HG GLU 17 -7.231 6.369 -15.172 132 2HG GLU 17 2HG GLU 17 -5.687 7.214 -15.227 133 H ARG 18 H ARG 18 -8.381 6.282 -11.056 134 HA ARG 18 HA ARG 18 -7.425 7.660 -8.745 135 1HB ARG 18 1HB ARG 18 -9.575 5.554 -8.983 136 2HB ARG 18 2HB ARG 18 -9.320 6.616 -7.602 137 1HG ARG 18 1HG ARG 18 -9.874 8.548 -8.897 138 2HG ARG 18 2HG ARG 18 -9.935 7.595 -10.380 139 1HD ARG 18 1HD ARG 18 -11.802 6.289 -9.353 140 2HD ARG 18 2HD ARG 18 -11.803 7.447 -8.024 141 HE ARG 18 HE ARG 18 -12.239 9.175 -9.806 142 1HH1 ARG 18 1HH1 ARG 18 -13.234 5.830 -10.143 143 2HH1 ARG 18 2HH1 ARG 18 -14.494 6.184 -11.293 144 1HH2 ARG 18 1HH2 ARG 18 -13.906 9.653 -11.296 145 2HH2 ARG 18 2HH2 ARG 18 -14.860 8.361 -11.966 146 H HIS 19 H HIS 19 -8.183 4.188 -8.868 147 HA HIS 19 HA HIS 19 -5.580 3.566 -7.707 148 1HB HIS 19 1HB HIS 19 -8.199 2.786 -6.387 149 2HB HIS 19 2HB HIS 19 -6.625 2.128 -5.949 150 HD1 HIS 19 HD1 HIS 19 -8.952 4.653 -4.979 151 HD2 HIS 19 HD2 HIS 19 -4.801 4.365 -5.087 152 HE1 HIS 19 HE1 HIS 19 -8.103 6.437 -3.417 153 HE2 HIS 19 HE2 HIS 19 -5.596 6.394 -3.692 154 H ASP 20 H ASP 20 -4.913 2.283 -9.316 155 HA ASP 20 HA ASP 20 -6.655 0.049 -10.053 156 1HB ASP 20 1HB ASP 20 -5.272 1.933 -11.961 157 2HB ASP 20 2HB ASP 20 -5.883 0.355 -12.445 158 H GLN 21 H GLN 21 -5.224 -1.364 -11.705 159 HA GLN 21 HA GLN 21 -3.725 -3.056 -11.690 160 1HB GLN 21 1HB GLN 21 -1.840 -1.124 -10.330 161 2HB GLN 21 2HB GLN 21 -1.400 -2.585 -11.203 162 1HG GLN 21 1HG GLN 21 -2.693 -1.302 -13.154 163 2HG GLN 21 2HG GLN 21 -2.157 0.086 -12.211 164 1HE2 GLN 21 1HE2 GLN 21 0.236 -1.385 -11.290 165 2HE2 GLN 21 2HE2 GLN 21 1.318 -1.393 -12.638 166 H HIS 22 H HIS 22 -4.598 -4.577 -10.330 167 HA HIS 22 HA HIS 22 -3.737 -4.505 -7.529 168 1HB HIS 22 1HB HIS 22 -6.045 -3.512 -7.747 169 2HB HIS 22 2HB HIS 22 -6.595 -5.099 -8.274 170 HD1 HIS 22 HD1 HIS 22 -5.529 -7.031 -6.301 171 HD2 HIS 22 HD2 HIS 22 -6.736 -3.206 -5.190 172 HE1 HIS 22 HE1 HIS 22 -6.024 -7.161 -3.848 173 HE2 HIS 22 HE2 HIS 22 -6.892 -4.878 -3.233 174 H ALA 23 H ALA 23 -2.897 -6.279 -6.968 175 HA ALA 23 HA ALA 23 -3.737 -8.920 -7.972 176 1HB ALA 23 1HB ALA 23 -1.878 -8.163 -9.395 177 2HB ALA 23 2HB ALA 23 -1.455 -9.560 -8.404 178 3HB ALA 23 3HB ALA 23 -0.881 -7.952 -7.955 179 H GLU 24 H GLU 24 -2.291 -10.588 -6.768 180 HA GLU 24 HA GLU 24 -1.720 -9.689 -4.015 181 1HB GLU 24 1HB GLU 24 -3.844 -10.905 -3.876 182 2HB GLU 24 2HB GLU 24 -3.147 -12.257 -4.766 183 1HG GLU 24 1HG GLU 24 -1.430 -12.400 -2.887 184 2HG GLU 24 2HG GLU 24 -2.480 -11.311 -1.991 185 H ILE 25 H ILE 25 0.146 -10.201 -3.404 186 HA ILE 25 HA ILE 25 1.864 -11.685 -5.160 187 HB ILE 25 HB ILE 25 3.635 -10.962 -3.453 188 1HG1 ILE 25 1HG1 ILE 25 1.295 -9.267 -2.542 189 2HG1 ILE 25 2HG1 ILE 25 2.175 -10.444 -1.575 190 1HG2 ILE 25 1HG2 ILE 25 3.740 -8.712 -4.414 191 2HG2 ILE 25 2HG2 ILE 25 2.083 -8.887 -4.992 192 3HG2 ILE 25 3HG2 ILE 25 3.354 -9.928 -5.631 193 1HD1 ILE 25 1HD1 ILE 25 4.185 -9.047 -1.733 194 2HD1 ILE 25 2HD1 ILE 25 2.833 -8.191 -0.990 195 3HD1 ILE 25 3HD1 ILE 25 3.273 -7.861 -2.666 196 H ILE 26 H ILE 26 1.968 -13.733 -5.023 197 HA ILE 26 HA ILE 26 2.169 -15.032 -2.394 198 HB ILE 26 HB ILE 26 1.680 -17.138 -3.412 199 1HG1 ILE 26 1HG1 ILE 26 2.958 -16.620 -5.575 200 2HG1 ILE 26 2HG1 ILE 26 1.487 -17.561 -5.751 201 1HG2 ILE 26 1HG2 ILE 26 -0.573 -16.736 -4.367 202 2HG2 ILE 26 2HG2 ILE 26 -0.188 -15.025 -4.538 203 3HG2 ILE 26 3HG2 ILE 26 -0.278 -15.752 -2.933 204 1HD1 ILE 26 1HD1 ILE 26 1.716 -15.909 -7.509 205 2HD1 ILE 26 2HD1 ILE 26 1.767 -14.618 -6.307 206 3HD1 ILE 26 3HD1 ILE 26 0.300 -15.581 -6.508 207 H GLU 27 H GLU 27 3.873 -13.807 -4.944 208 HA GLU 27 HA GLU 27 6.319 -15.075 -3.989 209 1HB GLU 27 1HB GLU 27 5.189 -15.634 -6.503 210 2HB GLU 27 2HB GLU 27 6.502 -14.510 -6.822 211 1HG GLU 27 1HG GLU 27 6.707 -17.131 -5.359 212 2HG GLU 27 2HG GLU 27 7.283 -16.787 -6.989 213 H VAL 28 H VAL 28 7.817 -13.592 -3.532 214 HA VAL 28 HA VAL 28 7.340 -10.817 -4.363 215 HB VAL 28 HB VAL 28 7.657 -11.600 -1.469 216 1HG1 VAL 28 1HG1 VAL 28 6.982 -9.288 -1.039 217 2HG1 VAL 28 2HG1 VAL 28 6.889 -8.994 -2.776 218 3HG1 VAL 28 3HG1 VAL 28 8.442 -9.366 -2.026 219 1HG2 VAL 28 1HG2 VAL 28 5.282 -11.073 -1.184 220 2HG2 VAL 28 2HG2 VAL 28 5.519 -12.441 -2.273 221 3HG2 VAL 28 3HG2 VAL 28 5.126 -10.852 -2.927 222 H ARG 29 H ARG 29 9.248 -9.966 -4.939 223 HA ARG 29 HA ARG 29 11.661 -11.410 -4.631 224 1HB ARG 29 1HB ARG 29 11.075 -8.652 -5.687 225 2HB ARG 29 2HB ARG 29 12.691 -9.344 -5.682 226 1HG ARG 29 1HG ARG 29 10.320 -10.591 -7.052 227 2HG ARG 29 2HG ARG 29 11.492 -9.539 -7.847 228 1HD ARG 29 1HD ARG 29 12.773 -11.316 -8.222 229 2HD ARG 29 2HD ARG 29 12.986 -11.486 -6.481 230 HE ARG 29 HE ARG 29 11.038 -12.971 -6.488 231 1HH1 ARG 29 1HH1 ARG 29 12.716 -12.374 -9.510 232 2HH1 ARG 29 2HH1 ARG 29 12.114 -13.818 -10.278 233 1HH2 ARG 29 1HH2 ARG 29 10.264 -14.889 -7.483 234 2HH2 ARG 29 2HH2 ARG 29 10.738 -15.244 -9.120 235 H SER 30 H SER 30 10.322 -8.641 -2.947 236 HA SER 30 HA SER 30 12.451 -8.826 -0.979 237 1HB SER 30 1HB SER 30 11.832 -6.220 -2.393 238 2HB SER 30 2HB SER 30 12.987 -6.445 -1.079 239 HG SER 30 HG SER 30 13.670 -8.199 -2.864 240 H ALA 31 H ALA 31 11.912 -7.903 1.033 241 HA ALA 31 HA ALA 31 9.084 -7.866 1.562 242 1HB ALA 31 1HB ALA 31 9.726 -7.657 3.904 243 2HB ALA 31 2HB ALA 31 11.403 -7.380 3.432 244 3HB ALA 31 3HB ALA 31 10.645 -8.942 3.117 245 H ASP 32 H ASP 32 11.461 -5.556 0.804 246 HA ASP 32 HA ASP 32 10.150 -3.311 2.038 247 1HB ASP 32 1HB ASP 32 12.602 -3.369 1.453 248 2HB ASP 32 2HB ASP 32 12.140 -3.269 -0.243 249 H GLY 33 H GLY 33 10.810 -3.886 -1.395 250 1HA GLY 33 1HA GLY 33 8.407 -4.052 -2.553 251 2HA GLY 33 2HA GLY 33 8.463 -2.351 -2.107 252 H SER 34 H SER 34 9.857 -4.847 -4.097 253 HA SER 34 HA SER 34 10.828 -2.806 -5.933 254 1HB SER 34 1HB SER 34 12.557 -5.082 -4.919 255 2HB SER 34 2HB SER 34 12.998 -3.945 -6.193 256 HG SER 34 HG SER 34 12.176 -2.769 -3.842 257 HA PRO 35 HA PRO 35 8.942 -5.840 -8.645 258 1HB PRO 35 1HB PRO 35 9.189 -4.410 -10.921 259 2HB PRO 35 2HB PRO 35 7.974 -4.019 -9.697 260 1HG PRO 35 1HG PRO 35 10.630 -2.743 -10.204 261 2HG PRO 35 2HG PRO 35 9.075 -1.977 -9.833 262 1HD PRO 35 1HD PRO 35 11.032 -2.382 -7.977 263 2HD PRO 35 2HD PRO 35 9.305 -2.318 -7.577 264 HA PRO 36 HA PRO 36 8.622 -6.570 -10.968 265 1HB PRO 36 1HB PRO 36 9.279 -9.321 -11.585 266 2HB PRO 36 2HB PRO 36 8.858 -8.009 -12.687 267 1HG PRO 36 1HG PRO 36 11.347 -9.125 -12.554 268 2HG PRO 36 2HG PRO 36 11.045 -7.454 -13.064 269 1HD PRO 36 1HD PRO 36 11.969 -8.488 -10.410 270 2HD PRO 36 2HD PRO 36 12.506 -7.052 -11.309 271 H TYR 37 H TYR 37 7.103 -8.546 -10.687 272 HA TYR 37 HA TYR 37 7.417 -9.846 -8.067 273 1HB TYR 37 1HB TYR 37 5.088 -8.166 -8.993 274 2HB TYR 37 2HB TYR 37 4.916 -9.390 -7.746 275 HD1 TYR 37 HD1 TYR 37 5.859 -9.061 -5.541 276 HD2 TYR 37 HD2 TYR 37 6.280 -6.088 -8.551 277 HE1 TYR 37 HE1 TYR 37 6.488 -7.422 -3.824 278 HE2 TYR 37 HE2 TYR 37 6.917 -4.439 -6.839 279 HH TYR 37 HH TYR 37 7.526 -5.377 -3.532 280 H VAL 38 H VAL 38 5.718 -11.594 -7.826 281 HA VAL 38 HA VAL 38 4.647 -12.499 -10.403 282 HB VAL 38 HB VAL 38 6.163 -14.330 -8.515 283 1HG1 VAL 38 1HG1 VAL 38 4.122 -15.397 -9.329 284 2HG1 VAL 38 2HG1 VAL 38 5.532 -16.115 -10.109 285 3HG1 VAL 38 3HG1 VAL 38 4.532 -14.955 -10.985 286 1HG2 VAL 38 1HG2 VAL 38 7.577 -14.772 -10.465 287 2HG2 VAL 38 2HG2 VAL 38 7.605 -13.059 -10.045 288 3HG2 VAL 38 3HG2 VAL 38 6.641 -13.617 -11.412 289 H VAL 39 H VAL 39 2.637 -13.014 -10.212 290 HA VAL 39 HA VAL 39 1.517 -12.673 -7.541 291 HB VAL 39 HB VAL 39 2.237 -10.585 -9.181 292 1HG1 VAL 39 1HG1 VAL 39 -0.703 -11.022 -9.588 293 2HG1 VAL 39 2HG1 VAL 39 0.558 -11.021 -10.821 294 3HG1 VAL 39 3HG1 VAL 39 0.162 -9.533 -9.961 295 1HG2 VAL 39 1HG2 VAL 39 0.106 -10.595 -7.072 296 2HG2 VAL 39 2HG2 VAL 39 0.944 -9.168 -7.684 297 3HG2 VAL 39 3HG2 VAL 39 1.843 -10.419 -6.825 298 H ARG 40 H ARG 40 -0.968 -12.547 -7.817 299 HA ARG 40 HA ARG 40 -1.850 -13.985 -10.207 300 1HB ARG 40 1HB ARG 40 -2.508 -14.763 -7.357 301 2HB ARG 40 2HB ARG 40 -3.371 -15.372 -8.760 302 1HG ARG 40 1HG ARG 40 -1.298 -16.388 -9.581 303 2HG ARG 40 2HG ARG 40 -0.451 -15.791 -8.153 304 1HD ARG 40 1HD ARG 40 -1.853 -17.140 -6.713 305 2HD ARG 40 2HD ARG 40 -2.819 -17.660 -8.093 306 HE ARG 40 HE ARG 40 -0.716 -18.746 -8.921 307 1HH1 ARG 40 1HH1 ARG 40 -1.303 -18.216 -5.505 308 2HH1 ARG 40 2HH1 ARG 40 -0.178 -19.441 -4.992 309 1HH2 ARG 40 1HH2 ARG 40 0.745 -20.386 -8.247 310 2HH2 ARG 40 2HH2 ARG 40 0.970 -20.682 -6.542 311 H TRP 41 H TRP 41 -3.592 -13.082 -11.071 312 HA TRP 41 HA TRP 41 -5.162 -11.142 -9.623 313 1HB TRP 41 1HB TRP 41 -6.086 -12.498 -12.146 314 2HB TRP 41 2HB TRP 41 -6.422 -10.865 -11.596 315 HD1 TRP 41 HD1 TRP 41 -4.645 -12.543 -14.193 316 HE1 TRP 41 HE1 TRP 41 -2.769 -11.095 -15.189 317 HE3 TRP 41 HE3 TRP 41 -4.272 -9.036 -10.491 318 HZ2 TRP 41 HZ2 TRP 41 -1.320 -8.786 -14.501 319 HZ3 TRP 41 HZ3 TRP 41 -2.610 -7.243 -10.740 320 HH2 TRP 41 HH2 TRP 41 -1.167 -7.123 -12.703 321 H LEU 42 H LEU 42 -5.888 -12.324 -7.828 322 HA LEU 42 HA LEU 42 -6.541 -15.072 -7.951 323 1HB LEU 42 1HB LEU 42 -7.785 -13.316 -5.894 324 2HB LEU 42 2HB LEU 42 -7.168 -14.946 -5.732 325 HG LEU 42 HG LEU 42 -5.536 -12.425 -5.944 326 1HD1 LEU 42 1HD1 LEU 42 -6.664 -12.737 -3.826 327 2HD1 LEU 42 2HD1 LEU 42 -4.928 -12.998 -3.653 328 3HD1 LEU 42 3HD1 LEU 42 -6.025 -14.378 -3.711 329 1HD2 LEU 42 1HD2 LEU 42 -4.624 -15.282 -5.610 330 2HD2 LEU 42 2HD2 LEU 42 -3.600 -13.848 -5.544 331 3HD2 LEU 42 3HD2 LEU 42 -4.399 -14.291 -7.053 332 H VAL 43 H VAL 43 -8.740 -12.367 -7.339 333 HA VAL 43 HA VAL 43 -11.080 -13.885 -7.517 334 HB VAL 43 HB VAL 43 -12.078 -11.488 -7.998 335 1HG1 VAL 43 1HG1 VAL 43 -12.288 -12.759 -5.905 336 2HG1 VAL 43 2HG1 VAL 43 -12.002 -11.047 -5.592 337 3HG1 VAL 43 3HG1 VAL 43 -10.685 -12.205 -5.420 338 1HG2 VAL 43 1HG2 VAL 43 -9.961 -10.415 -8.569 339 2HG2 VAL 43 2HG2 VAL 43 -9.292 -10.884 -7.006 340 3HG2 VAL 43 3HG2 VAL 43 -10.616 -9.721 -7.085 341 H ASN 44 H ASN 44 -9.313 -12.061 -9.937 342 HA ASN 44 HA ASN 44 -11.042 -12.456 -12.100 343 1HB ASN 44 1HB ASN 44 -8.030 -12.244 -12.048 344 2HB ASN 44 2HB ASN 44 -9.001 -12.209 -13.519 345 1HD2 ASN 44 1HD2 ASN 44 -8.145 -10.506 -10.603 346 2HD2 ASN 44 2HD2 ASN 44 -8.758 -8.967 -11.087 347 H GLY 45 H GLY 45 -8.130 -14.349 -11.249 348 1HA GLY 45 1HA GLY 45 -8.410 -16.792 -11.075 349 2HA GLY 45 2HA GLY 45 -9.422 -16.694 -12.505 350 H HIS 46 H HIS 46 -6.305 -15.075 -11.949 351 HA HIS 46 HA HIS 46 -5.032 -16.901 -13.864 352 1HB HIS 46 1HB HIS 46 -5.088 -13.889 -14.140 353 2HB HIS 46 2HB HIS 46 -3.948 -14.919 -14.995 354 HD1 HIS 46 HD1 HIS 46 -6.952 -13.203 -15.593 355 HD2 HIS 46 HD2 HIS 46 -5.608 -17.038 -16.505 356 HE1 HIS 46 HE1 HIS 46 -8.393 -13.996 -17.493 357 HE2 HIS 46 HE2 HIS 46 -7.427 -16.225 -18.163 358 H GLU 47 H GLU 47 -2.612 -16.599 -13.919 359 HA GLU 47 HA GLU 47 -1.518 -15.199 -11.602 360 1HB GLU 47 1HB GLU 47 0.103 -17.144 -11.288 361 2HB GLU 47 2HB GLU 47 -1.534 -17.340 -10.682 362 1HG GLU 47 1HG GLU 47 -2.105 -18.661 -12.624 363 2HG GLU 47 2HG GLU 47 -0.470 -18.462 -13.261 364 H THR 48 H THR 48 0.344 -14.191 -11.952 365 HA THR 48 HA THR 48 1.444 -14.309 -14.649 366 HB THR 48 HB THR 48 -0.478 -12.886 -14.789 367 HG1 THR 48 HG1 THR 48 0.880 -12.004 -16.165 368 1HG2 THR 48 1HG2 THR 48 -0.593 -10.765 -13.536 369 2HG2 THR 48 2HG2 THR 48 0.810 -11.284 -12.602 370 3HG2 THR 48 3HG2 THR 48 -0.698 -12.191 -12.504 371 H THR 49 H THR 49 2.983 -12.348 -14.883 372 HA THR 49 HA THR 49 4.528 -11.783 -12.456 373 HB THR 49 HB THR 49 5.727 -12.704 -15.092 374 HG1 THR 49 HG1 THR 49 4.893 -14.074 -12.918 375 1HG2 THR 49 1HG2 THR 49 7.878 -12.625 -13.905 376 2HG2 THR 49 2HG2 THR 49 7.067 -11.960 -12.487 377 3HG2 THR 49 3HG2 THR 49 7.125 -11.032 -13.986 378 H VAL 50 H VAL 50 4.803 -9.585 -12.360 379 HA VAL 50 HA VAL 50 4.287 -8.047 -14.836 380 HB VAL 50 HB VAL 50 2.744 -7.268 -12.399 381 1HG1 VAL 50 1HG1 VAL 50 2.753 -5.775 -14.298 382 2HG1 VAL 50 2HG1 VAL 50 1.142 -6.459 -14.079 383 3HG1 VAL 50 3HG1 VAL 50 2.194 -7.071 -15.354 384 1HG2 VAL 50 1HG2 VAL 50 2.212 -9.623 -12.591 385 2HG2 VAL 50 2HG2 VAL 50 1.842 -9.422 -14.304 386 3HG2 VAL 50 3HG2 VAL 50 0.833 -8.642 -13.084 387 H TYR 51 H TYR 51 4.218 -5.613 -14.210 388 HA TYR 51 HA TYR 51 6.212 -4.945 -12.169 389 1HB TYR 51 1HB TYR 51 6.382 -3.549 -14.808 390 2HB TYR 51 2HB TYR 51 7.653 -3.886 -13.641 391 HD1 TYR 51 HD1 TYR 51 8.885 -5.979 -13.716 392 HD2 TYR 51 HD2 TYR 51 5.755 -5.207 -16.485 393 HE1 TYR 51 HE1 TYR 51 9.649 -7.865 -15.098 394 HE2 TYR 51 HE2 TYR 51 6.509 -7.087 -17.874 395 HH TYR 51 HH TYR 51 8.413 -8.432 -18.289 396 HA PRO 52 HA PRO 52 2.686 -2.102 -11.606 397 1HB PRO 52 1HB PRO 52 4.384 -1.225 -9.343 398 2HB PRO 52 2HB PRO 52 2.703 -1.769 -9.342 399 1HG PRO 52 1HG PRO 52 4.654 -3.317 -8.370 400 2HG PRO 52 2HG PRO 52 3.288 -4.009 -9.263 401 1HD PRO 52 1HD PRO 52 6.089 -3.485 -10.184 402 2HD PRO 52 2HD PRO 52 5.030 -4.873 -10.522 403 H GLY 53 H GLY 53 2.439 0.044 -12.161 404 1HA GLY 53 1HA GLY 53 4.821 1.317 -13.269 405 2HA GLY 53 2HA GLY 53 3.154 1.751 -13.614 406 H SER 54 H SER 54 5.423 1.665 -10.887 407 HA SER 54 HA SER 54 5.969 3.184 -9.293 408 1HB SER 54 1HB SER 54 6.246 4.777 -11.134 409 2HB SER 54 2HB SER 54 4.522 5.137 -11.107 410 HG SER 54 HG SER 54 4.765 6.327 -9.356 411 H ASP 55 H ASP 55 4.941 4.762 -7.676 412 HA ASP 55 HA ASP 55 3.403 5.219 -6.074 413 1HB ASP 55 1HB ASP 55 1.509 4.920 -8.414 414 2HB ASP 55 2HB ASP 55 1.073 5.618 -6.856 415 H ALA 56 H ALA 56 4.248 2.587 -6.184 416 HA ALA 56 HA ALA 56 2.112 0.720 -6.194 417 1HB ALA 56 1HB ALA 56 4.440 0.087 -6.643 418 2HB ALA 56 2HB ALA 56 3.737 -0.863 -5.335 419 3HB ALA 56 3HB ALA 56 4.852 0.451 -4.967 420 H VAL 57 H VAL 57 0.920 -0.114 -4.582 421 HA VAL 57 HA VAL 57 1.469 0.650 -1.805 422 HB VAL 57 HB VAL 57 -0.240 2.200 -2.858 423 1HG1 VAL 57 1HG1 VAL 57 -1.501 0.605 -4.141 424 2HG1 VAL 57 2HG1 VAL 57 -2.543 1.415 -2.968 425 3HG1 VAL 57 3HG1 VAL 57 -1.974 -0.228 -2.659 426 1HG2 VAL 57 1HG2 VAL 57 -1.636 2.268 -0.869 427 2HG2 VAL 57 2HG2 VAL 57 0.072 2.065 -0.475 428 3HG2 VAL 57 3HG2 VAL 57 -1.021 0.683 -0.402 429 H VAL 58 H VAL 58 -0.414 -0.458 -0.526 430 HA VAL 58 HA VAL 58 -0.452 -3.309 -1.297 431 HB VAL 58 HB VAL 58 0.587 -2.316 1.370 432 1HG1 VAL 58 1HG1 VAL 58 0.373 -5.110 0.259 433 2HG1 VAL 58 2HG1 VAL 58 -0.581 -4.430 1.578 434 3HG1 VAL 58 3HG1 VAL 58 1.156 -4.668 1.777 435 1HG2 VAL 58 1HG2 VAL 58 2.199 -1.911 -0.421 436 2HG2 VAL 58 2HG2 VAL 58 2.091 -3.605 -0.905 437 3HG2 VAL 58 3HG2 VAL 58 2.759 -3.178 0.671 438 H VAL 59 H VAL 59 -2.206 -4.420 -0.602 439 HA VAL 59 HA VAL 59 -4.107 -3.155 1.212 440 HB VAL 59 HB VAL 59 -5.752 -4.134 -0.566 441 1HG1 VAL 59 1HG1 VAL 59 -4.345 -1.496 -0.888 442 2HG1 VAL 59 2HG1 VAL 59 -5.747 -1.810 0.134 443 3HG1 VAL 59 3HG1 VAL 59 -5.896 -1.906 -1.620 444 1HG2 VAL 59 1HG2 VAL 59 -4.977 -3.778 -2.851 445 2HG2 VAL 59 2HG2 VAL 59 -4.081 -5.052 -2.025 446 3HG2 VAL 59 3HG2 VAL 59 -3.359 -3.456 -2.225 447 H THR 60 H THR 60 -6.056 -4.746 1.325 448 HA THR 60 HA THR 60 -4.962 -7.455 1.903 449 HB THR 60 HB THR 60 -6.754 -7.453 3.738 450 HG1 THR 60 HG1 THR 60 -6.909 -4.779 2.844 451 1HG2 THR 60 1HG2 THR 60 -5.345 -6.184 5.307 452 2HG2 THR 60 2HG2 THR 60 -4.475 -5.486 3.942 453 3HG2 THR 60 3HG2 THR 60 -4.386 -7.219 4.251 454 H ALA 61 H ALA 61 -7.189 -8.774 2.607 455 HA ALA 61 HA ALA 61 -8.079 -9.767 0.185 456 1HB ALA 61 1HB ALA 61 -7.992 -11.035 2.263 457 2HB ALA 61 2HB ALA 61 -9.564 -11.172 1.473 458 3HB ALA 61 3HB ALA 61 -9.370 -10.121 2.876 459 H THR 62 H THR 62 -9.956 -7.651 2.400 460 HA THR 62 HA THR 62 -12.390 -7.848 0.971 461 HB THR 62 HB THR 62 -12.577 -5.365 1.930 462 HG1 THR 62 HG1 THR 62 -11.277 -5.156 3.763 463 1HG2 THR 62 1HG2 THR 62 -13.497 -6.357 3.982 464 2HG2 THR 62 2HG2 THR 62 -12.738 -7.893 3.568 465 3HG2 THR 62 3HG2 THR 62 -14.010 -7.233 2.541 466 H GLU 63 H GLU 63 -9.954 -5.334 0.884 467 HA GLU 63 HA GLU 63 -10.972 -3.779 -1.186 468 1HB GLU 63 1HB GLU 63 -8.049 -4.249 -0.534 469 2HB GLU 63 2HB GLU 63 -8.748 -2.819 -1.284 470 1HG GLU 63 1HG GLU 63 -9.732 -2.109 0.711 471 2HG GLU 63 2HG GLU 63 -9.559 -3.687 1.469 472 H HIS 64 H HIS 64 -9.186 -6.730 -1.166 473 HA HIS 64 HA HIS 64 -8.159 -6.798 -3.735 474 1HB HIS 64 1HB HIS 64 -7.271 -8.625 -2.873 475 2HB HIS 64 2HB HIS 64 -8.384 -8.549 -1.520 476 HD1 HIS 64 HD1 HIS 64 -10.315 -10.218 -1.490 477 HD2 HIS 64 HD2 HIS 64 -7.911 -10.529 -4.863 478 HE1 HIS 64 HE1 HIS 64 -10.851 -12.453 -2.494 479 HE2 HIS 64 HE2 HIS 64 -9.194 -12.717 -4.365 480 H ALA 65 H ALA 65 -11.446 -7.731 -2.697 481 HA ALA 65 HA ALA 65 -11.951 -9.414 -4.877 482 1HB ALA 65 1HB ALA 65 -13.935 -7.770 -3.302 483 2HB ALA 65 2HB ALA 65 -13.316 -9.353 -2.835 484 3HB ALA 65 3HB ALA 65 -14.302 -9.186 -4.287 485 H GLU 66 H GLU 66 -13.463 -6.304 -4.414 486 HA GLU 66 HA GLU 66 -14.440 -5.907 -6.983 487 1HB GLU 66 1HB GLU 66 -13.644 -3.591 -5.269 488 2HB GLU 66 2HB GLU 66 -15.161 -3.888 -6.110 489 1HG GLU 66 1HG GLU 66 -14.326 -5.537 -3.727 490 2HG GLU 66 2HG GLU 66 -15.176 -4.004 -3.539 491 H ALA 67 H ALA 67 -11.745 -4.268 -5.421 492 HA ALA 67 HA ALA 67 -10.883 -2.775 -7.587 493 1HB ALA 67 1HB ALA 67 -8.861 -2.356 -6.323 494 2HB ALA 67 2HB ALA 67 -9.225 -3.706 -5.250 495 3HB ALA 67 3HB ALA 67 -10.271 -2.286 -5.265 496 H GLU 68 H GLU 68 -9.616 -5.919 -6.411 497 HA GLU 68 HA GLU 68 -7.507 -6.053 -8.239 498 1HB GLU 68 1HB GLU 68 -7.718 -7.554 -6.307 499 2HB GLU 68 2HB GLU 68 -9.044 -8.377 -7.109 500 1HG GLU 68 1HG GLU 68 -7.621 -9.253 -8.769 501 2HG GLU 68 2HG GLU 68 -6.290 -8.198 -8.280 502 H LYS 69 H LYS 69 -10.906 -7.075 -8.625 503 HA LYS 69 HA LYS 69 -10.570 -8.313 -11.113 504 1HB LYS 69 1HB LYS 69 -12.890 -6.699 -10.048 505 2HB LYS 69 2HB LYS 69 -12.950 -7.600 -11.558 506 1HG LYS 69 1HG LYS 69 -12.497 -9.669 -10.332 507 2HG LYS 69 2HG LYS 69 -12.471 -8.759 -8.821 508 1HD LYS 69 1HD LYS 69 -14.791 -8.118 -9.135 509 2HD LYS 69 2HD LYS 69 -14.826 -8.934 -10.699 510 1HE LYS 69 1HE LYS 69 -14.386 -11.075 -9.578 511 2HE LYS 69 2HE LYS 69 -14.380 -10.252 -8.019 512 1HZ LYS 69 1HZ LYS 69 -16.691 -10.331 -9.880 513 2HZ LYS 69 2HZ LYS 69 -16.672 -9.660 -8.318 514 3HZ LYS 69 3HZ LYS 69 -16.509 -11.336 -8.525 515 H ARG 70 H ARG 70 -11.731 -4.947 -10.636 516 HA ARG 70 HA ARG 70 -11.449 -4.249 -13.371 517 1HB ARG 70 1HB ARG 70 -11.497 -2.553 -10.880 518 2HB ARG 70 2HB ARG 70 -11.434 -1.859 -12.494 519 1HG ARG 70 1HG ARG 70 -13.534 -3.006 -13.049 520 2HG ARG 70 2HG ARG 70 -13.604 -3.640 -11.405 521 1HD ARG 70 1HD ARG 70 -13.844 -1.454 -10.492 522 2HD ARG 70 2HD ARG 70 -13.483 -0.702 -12.047 523 HE ARG 70 HE ARG 70 -15.719 -2.345 -12.378 524 1HH1 ARG 70 1HH1 ARG 70 -14.854 0.570 -10.636 525 2HH1 ARG 70 2HH1 ARG 70 -16.450 1.250 -10.718 526 1HH2 ARG 70 1HH2 ARG 70 -17.805 -1.437 -12.535 527 2HH2 ARG 70 2HH2 ARG 70 -18.125 0.120 -11.823 528 H ALA 71 H ALA 71 -9.362 -3.399 -10.687 529 HA ALA 71 HA ALA 71 -7.356 -2.112 -12.091 530 1HB ALA 71 1HB ALA 71 -6.047 -2.325 -10.083 531 2HB ALA 71 2HB ALA 71 -7.122 -3.593 -9.488 532 3HB ALA 71 3HB ALA 71 -7.722 -1.945 -9.682 533 H ALA 72 H ALA 72 -7.840 -5.595 -11.696 534 HA ALA 72 HA ALA 72 -5.167 -6.292 -12.441 535 1HB ALA 72 1HB ALA 72 -6.025 -8.519 -12.922 536 2HB ALA 72 2HB ALA 72 -7.678 -7.925 -12.780 537 3HB ALA 72 3HB ALA 72 -6.622 -7.935 -11.370 538 H ALA 73 H ALA 73 -8.217 -5.879 -14.200 539 HA ALA 73 HA ALA 73 -7.282 -6.384 -16.788 540 1HB ALA 73 1HB ALA 73 -9.253 -4.250 -15.956 541 2HB ALA 73 2HB ALA 73 -9.643 -5.943 -16.266 542 3HB ALA 73 3HB ALA 73 -9.064 -4.917 -17.579 543 H ARG 74 H ARG 74 -6.859 -3.595 -14.711 544 HA ARG 74 HA ARG 74 -5.571 -1.938 -16.671 545 1HB ARG 74 1HB ARG 74 -6.079 -1.809 -13.772 546 2HB ARG 74 2HB ARG 74 -4.640 -0.964 -14.313 547 1HG ARG 74 1HG ARG 74 -6.422 0.590 -14.259 548 2HG ARG 74 2HG ARG 74 -6.056 0.260 -15.951 549 1HD ARG 74 1HD ARG 74 -8.062 -0.716 -16.326 550 2HD ARG 74 2HD ARG 74 -8.127 -1.440 -14.718 551 HE ARG 74 HE ARG 74 -8.809 0.721 -13.852 552 1HH1 ARG 74 1HH1 ARG 74 -8.960 0.341 -17.339 553 2HH1 ARG 74 2HH1 ARG 74 -10.176 1.568 -17.543 554 1HH2 ARG 74 1HH2 ARG 74 -10.394 2.314 -14.117 555 2HH2 ARG 74 2HH2 ARG 74 -11.023 2.677 -15.699 556 H ALA 75 H ALA 75 -4.253 -3.803 -13.925 557 HA ALA 75 HA ALA 75 -1.640 -2.915 -14.015 558 1HB ALA 75 1HB ALA 75 -2.628 -4.234 -12.201 559 2HB ALA 75 2HB ALA 75 -1.063 -4.861 -12.722 560 3HB ALA 75 3HB ALA 75 -2.548 -5.671 -13.220 561 H GLY 76 H GLY 76 -3.008 -5.677 -15.812 562 1HA GLY 76 1HA GLY 76 -0.326 -6.357 -16.760 563 2HA GLY 76 2HA GLY 76 -1.785 -7.275 -17.069 564 H HIS 77 H HIS 77 -1.750 -3.858 -17.605 565 HA HIS 77 HA HIS 77 -2.490 -4.098 -20.323 566 1HB HIS 77 1HB HIS 77 -2.456 -1.697 -20.404 567 2HB HIS 77 2HB HIS 77 -3.073 -2.163 -18.825 568 HD1 HIS 77 HD1 HIS 77 -0.720 0.056 -20.371 569 HD2 HIS 77 HD2 HIS 77 -0.893 -2.020 -16.769 570 HE1 HIS 77 HE1 HIS 77 0.960 1.168 -18.859 571 HE2 HIS 77 HE2 HIS 77 0.975 -0.237 -16.766 572 H ALA 78 H ALA 78 0.594 -3.835 -18.752 573 HA ALA 78 HA ALA 78 1.887 -3.484 -21.376 574 1HB ALA 78 1HB ALA 78 2.174 -1.530 -19.932 575 2HB ALA 78 2HB ALA 78 3.711 -2.337 -20.236 576 3HB ALA 78 3HB ALA 78 2.893 -2.551 -18.689 577 H ALA 79 H ALA 79 1.100 -5.962 -19.910 578 HA ALA 79 HA ALA 79 3.607 -7.134 -19.086 579 1HB ALA 79 1HB ALA 79 0.926 -8.446 -19.528 580 2HB ALA 79 2HB ALA 79 1.512 -7.797 -17.997 581 3HB ALA 79 3HB ALA 79 2.325 -9.175 -18.739 582 H THR 80 H THR 80 4.686 -6.634 -21.129 583 HA THR 80 HA THR 80 4.025 -8.542 -23.270 584 HB THR 80 HB THR 80 5.651 -5.992 -23.474 585 HG1 THR 80 HG1 THR 80 2.933 -6.609 -24.024 586 1HG2 THR 80 1HG2 THR 80 4.599 -7.851 -25.610 587 2HG2 THR 80 2HG2 THR 80 6.287 -7.675 -25.133 588 3HG2 THR 80 3HG2 THR 80 5.443 -6.327 -25.893 Start of MODEL 23 1 H MET 1 H MET 1 10.429 0.635 -0.367 2 HA MET 1 HA MET 1 7.541 0.904 0.227 3 1HB MET 1 1HB MET 1 8.198 1.113 -2.182 4 2HB MET 1 2HB MET 1 8.955 -0.469 -2.077 5 1HG MET 1 1HG MET 1 6.724 -1.407 -1.466 6 2HG MET 1 2HG MET 1 6.032 0.178 -1.804 7 1HE MET 1 1HE MET 1 5.175 -2.643 -3.179 8 2HE MET 1 2HE MET 1 4.891 -2.073 -4.824 9 3HE MET 1 3HE MET 1 4.361 -1.102 -3.448 10 H HIS 2 H HIS 2 6.505 -1.259 0.369 11 HA HIS 2 HA HIS 2 8.288 -3.410 1.236 12 1HB HIS 2 1HB HIS 2 6.137 -2.119 2.879 13 2HB HIS 2 2HB HIS 2 6.436 -3.843 3.057 14 HD1 HIS 2 HD1 HIS 2 8.942 -4.490 3.793 15 HD2 HIS 2 HD2 HIS 2 7.854 -0.509 4.275 16 HE1 HIS 2 HE1 HIS 2 10.601 -3.528 5.418 17 HE2 HIS 2 HE2 HIS 2 10.039 -1.075 5.546 18 H ALA 3 H ALA 3 7.554 -5.437 0.753 19 HA ALA 3 HA ALA 3 4.844 -5.705 -0.327 20 1HB ALA 3 1HB ALA 3 5.651 -6.932 -2.276 21 2HB ALA 3 2HB ALA 3 7.317 -6.638 -1.783 22 3HB ALA 3 3HB ALA 3 6.288 -5.288 -2.260 23 H LYS 4 H LYS 4 3.956 -7.695 -0.004 24 HA LYS 4 HA LYS 4 5.537 -9.702 1.400 25 1HB LYS 4 1HB LYS 4 3.120 -8.295 2.501 26 2HB LYS 4 2HB LYS 4 3.627 -9.872 3.082 27 1HG LYS 4 1HG LYS 4 5.832 -8.888 3.659 28 2HG LYS 4 2HG LYS 4 5.191 -7.305 3.211 29 1HD LYS 4 1HD LYS 4 3.526 -7.425 4.928 30 2HD LYS 4 2HD LYS 4 3.944 -9.101 5.285 31 1HE LYS 4 1HE LYS 4 6.214 -8.318 5.947 32 2HE LYS 4 2HE LYS 4 5.651 -6.659 5.740 33 1HZ LYS 4 1HZ LYS 4 4.447 -8.637 7.598 34 2HZ LYS 4 2HZ LYS 4 4.012 -7.006 7.445 35 3HZ LYS 4 3HZ LYS 4 5.540 -7.421 8.052 36 H VAL 5 H VAL 5 4.900 -11.769 1.019 37 HA VAL 5 HA VAL 5 2.813 -12.311 -0.848 38 HB VAL 5 HB VAL 5 4.658 -13.852 -0.728 39 1HG1 VAL 5 1HG1 VAL 5 5.365 -13.460 1.556 40 2HG1 VAL 5 2HG1 VAL 5 5.169 -15.188 1.270 41 3HG1 VAL 5 3HG1 VAL 5 3.937 -14.297 2.164 42 1HG2 VAL 5 1HG2 VAL 5 2.214 -15.170 0.445 43 2HG2 VAL 5 2HG2 VAL 5 3.547 -16.008 -0.349 44 3HG2 VAL 5 3HG2 VAL 5 2.535 -14.892 -1.267 45 H GLY 6 H GLY 6 0.681 -13.122 -0.405 46 1HA GLY 6 1HA GLY 6 -1.238 -13.535 0.907 47 2HA GLY 6 2HA GLY 6 -0.270 -13.288 2.360 48 H ASP 7 H ASP 7 0.128 -11.123 -0.089 49 HA ASP 7 HA ASP 7 -1.440 -8.936 1.145 50 1HB ASP 7 1HB ASP 7 1.577 -9.137 1.068 51 2HB ASP 7 2HB ASP 7 0.804 -7.570 0.867 52 H TYR 8 H TYR 8 -1.476 -7.080 -0.326 53 HA TYR 8 HA TYR 8 -1.945 -8.187 -3.022 54 1HB TYR 8 1HB TYR 8 -3.905 -7.111 -0.942 55 2HB TYR 8 2HB TYR 8 -4.256 -6.977 -2.645 56 HD1 TYR 8 HD1 TYR 8 -4.248 -9.164 0.272 57 HD2 TYR 8 HD2 TYR 8 -4.893 -8.944 -3.926 58 HE1 TYR 8 HE1 TYR 8 -5.626 -11.212 0.361 59 HE2 TYR 8 HE2 TYR 8 -6.248 -11.002 -3.842 60 HH TYR 8 HH TYR 8 -6.240 -13.107 -2.009 61 H LEU 9 H LEU 9 -2.332 -6.241 -4.496 62 HA LEU 9 HA LEU 9 -1.039 -3.875 -3.303 63 1HB LEU 9 1HB LEU 9 0.772 -5.300 -3.957 64 2HB LEU 9 2HB LEU 9 0.005 -5.699 -5.473 65 HG LEU 9 HG LEU 9 1.055 -2.923 -4.885 66 1HD1 LEU 9 1HD1 LEU 9 3.047 -3.567 -6.147 67 2HD1 LEU 9 2HD1 LEU 9 2.460 -5.227 -6.229 68 3HD1 LEU 9 3HD1 LEU 9 2.886 -4.519 -4.671 69 1HD2 LEU 9 1HD2 LEU 9 1.126 -2.748 -7.330 70 2HD2 LEU 9 2HD2 LEU 9 -0.510 -3.091 -6.770 71 3HD2 LEU 9 3HD2 LEU 9 0.470 -4.379 -7.471 72 H VAL 10 H VAL 10 -1.284 -2.029 -4.379 73 HA VAL 10 HA VAL 10 -3.197 -1.853 -6.594 74 HB VAL 10 HB VAL 10 -3.581 -0.666 -3.832 75 1HG1 VAL 10 1HG1 VAL 10 -5.460 0.612 -4.730 76 2HG1 VAL 10 2HG1 VAL 10 -5.068 0.055 -6.357 77 3HG1 VAL 10 3HG1 VAL 10 -3.943 1.097 -5.485 78 1HG2 VAL 10 1HG2 VAL 10 -5.795 -1.690 -3.982 79 2HG2 VAL 10 2HG2 VAL 10 -4.513 -2.888 -4.148 80 3HG2 VAL 10 3HG2 VAL 10 -5.388 -2.332 -5.574 81 H VAL 11 H VAL 11 -2.937 0.015 -7.798 82 HA VAL 11 HA VAL 11 -0.918 1.959 -6.928 83 HB VAL 11 HB VAL 11 -0.904 0.558 -9.618 84 1HG1 VAL 11 1HG1 VAL 11 0.952 2.666 -8.528 85 2HG1 VAL 11 2HG1 VAL 11 -0.250 2.900 -9.798 86 3HG1 VAL 11 3HG1 VAL 11 1.127 1.830 -10.071 87 1HG2 VAL 11 1HG2 VAL 11 1.281 -0.318 -8.927 88 2HG2 VAL 11 2HG2 VAL 11 -0.019 -0.877 -7.874 89 3HG2 VAL 11 3HG2 VAL 11 1.059 0.411 -7.336 90 H LYS 12 H LYS 12 -1.322 4.038 -7.661 91 HA LYS 12 HA LYS 12 -3.859 4.379 -9.126 92 1HB LYS 12 1HB LYS 12 -2.536 6.618 -7.650 93 2HB LYS 12 2HB LYS 12 -4.244 6.343 -7.958 94 1HG LYS 12 1HG LYS 12 -4.151 4.447 -6.336 95 2HG LYS 12 2HG LYS 12 -2.503 4.943 -5.945 96 1HD LYS 12 1HD LYS 12 -3.551 7.267 -5.528 97 2HD LYS 12 2HD LYS 12 -5.080 6.388 -5.447 98 1HE LYS 12 1HE LYS 12 -4.348 6.503 -3.225 99 2HE LYS 12 2HE LYS 12 -3.917 4.876 -3.753 100 1HZ LYS 12 1HZ LYS 12 -2.110 7.216 -3.522 101 2HZ LYS 12 2HZ LYS 12 -1.654 5.754 -4.239 102 3HZ LYS 12 3HZ LYS 12 -2.068 5.801 -2.589 103 H GLY 13 H GLY 13 -0.745 4.252 -9.835 104 1HA GLY 13 1HA GLY 13 -0.390 6.794 -11.173 105 2HA GLY 13 2HA GLY 13 0.771 5.479 -11.100 106 H THR 14 H THR 14 -2.579 5.483 -12.272 107 HA THR 14 HA THR 14 -1.537 4.728 -14.919 108 HB THR 14 HB THR 14 -3.853 3.758 -15.282 109 HG1 THR 14 HG1 THR 14 -4.966 3.240 -13.274 110 1HG2 THR 14 1HG2 THR 14 -3.360 1.699 -14.048 111 2HG2 THR 14 2HG2 THR 14 -2.164 2.563 -13.082 112 3HG2 THR 14 3HG2 THR 14 -1.911 2.350 -14.816 113 H THR 15 H THR 15 -4.773 5.800 -14.019 114 HA THR 15 HA THR 15 -4.346 8.247 -15.605 115 HB THR 15 HB THR 15 -6.903 6.634 -15.470 116 HG1 THR 15 HG1 THR 15 -4.842 6.840 -17.436 117 1HG2 THR 15 1HG2 THR 15 -7.275 9.037 -15.799 118 2HG2 THR 15 2HG2 THR 15 -7.662 8.124 -17.257 119 3HG2 THR 15 3HG2 THR 15 -6.149 9.025 -17.158 120 H THR 16 H THR 16 -7.139 7.143 -13.679 121 HA THR 16 HA THR 16 -6.458 9.050 -11.581 122 HB THR 16 HB THR 16 -7.822 10.338 -13.242 123 HG1 THR 16 HG1 THR 16 -7.954 10.355 -10.677 124 1HG2 THR 16 1HG2 THR 16 -10.216 9.882 -13.411 125 2HG2 THR 16 2HG2 THR 16 -10.024 8.447 -12.405 126 3HG2 THR 16 3HG2 THR 16 -9.273 8.513 -13.999 127 H GLU 17 H GLU 17 -7.272 6.084 -12.416 128 HA GLU 17 HA GLU 17 -9.306 5.365 -10.587 129 1HB GLU 17 1HB GLU 17 -7.099 3.762 -11.892 130 2HB GLU 17 2HB GLU 17 -8.359 3.047 -10.900 131 1HG GLU 17 1HG GLU 17 -8.858 2.776 -13.249 132 2HG GLU 17 2HG GLU 17 -10.051 3.814 -12.478 133 H ARG 18 H ARG 18 -9.085 5.815 -8.502 134 HA ARG 18 HA ARG 18 -6.585 6.133 -7.208 135 1HB ARG 18 1HB ARG 18 -9.135 6.948 -6.713 136 2HB ARG 18 2HB ARG 18 -8.945 5.688 -5.503 137 1HG ARG 18 1HG ARG 18 -7.027 6.801 -4.569 138 2HG ARG 18 2HG ARG 18 -7.062 8.013 -5.856 139 1HD ARG 18 1HD ARG 18 -9.389 8.593 -5.080 140 2HD ARG 18 2HD ARG 18 -9.094 7.564 -3.682 141 HE ARG 18 HE ARG 18 -7.069 9.147 -3.366 142 1HH1 ARG 18 1HH1 ARG 18 -10.180 10.058 -4.680 143 2HH1 ARG 18 2HH1 ARG 18 -10.144 11.666 -4.026 144 1HH2 ARG 18 1HH2 ARG 18 -6.993 11.296 -2.520 145 2HH2 ARG 18 2HH2 ARG 18 -8.332 12.363 -2.800 146 H HIS 19 H HIS 19 -8.384 3.378 -7.929 147 HA HIS 19 HA HIS 19 -6.663 1.781 -6.169 148 1HB HIS 19 1HB HIS 19 -9.602 1.173 -6.633 149 2HB HIS 19 2HB HIS 19 -8.482 0.210 -5.684 150 HD1 HIS 19 HD1 HIS 19 -8.625 0.604 -3.224 151 HD2 HIS 19 HD2 HIS 19 -9.986 3.866 -5.419 152 HE1 HIS 19 HE1 HIS 19 -9.513 2.234 -1.539 153 HE2 HIS 19 HE2 HIS 19 -10.588 4.051 -2.916 154 H ASP 20 H ASP 20 -5.576 1.896 -8.421 155 HA ASP 20 HA ASP 20 -6.888 0.038 -10.298 156 1HB ASP 20 1HB ASP 20 -6.171 2.481 -10.943 157 2HB ASP 20 2HB ASP 20 -4.561 1.782 -11.046 158 H GLN 21 H GLN 21 -5.019 -1.024 -11.729 159 HA GLN 21 HA GLN 21 -3.651 -2.868 -11.701 160 1HB GLN 21 1HB GLN 21 -1.949 -0.815 -10.285 161 2HB GLN 21 2HB GLN 21 -1.335 -2.313 -10.968 162 1HG GLN 21 1HG GLN 21 -2.107 -1.580 -13.192 163 2HG GLN 21 2HG GLN 21 -2.623 -0.051 -12.482 164 1HE2 GLN 21 1HE2 GLN 21 0.096 -2.019 -13.383 165 2HE2 GLN 21 2HE2 GLN 21 1.297 -0.780 -13.261 166 H HIS 22 H HIS 22 -4.619 -4.499 -10.345 167 HA HIS 22 HA HIS 22 -3.382 -4.601 -7.694 168 1HB HIS 22 1HB HIS 22 -5.489 -3.567 -7.222 169 2HB HIS 22 2HB HIS 22 -6.357 -4.763 -8.178 170 HD1 HIS 22 HD1 HIS 22 -4.802 -4.235 -4.835 171 HD2 HIS 22 HD2 HIS 22 -6.695 -7.244 -6.949 172 HE1 HIS 22 HE1 HIS 22 -5.307 -6.029 -3.151 173 HE2 HIS 22 HE2 HIS 22 -6.157 -7.952 -4.544 174 H ALA 23 H ALA 23 -3.004 -6.414 -6.853 175 HA ALA 23 HA ALA 23 -3.603 -8.992 -8.148 176 1HB ALA 23 1HB ALA 23 -1.528 -8.131 -9.157 177 2HB ALA 23 2HB ALA 23 -1.252 -9.578 -8.187 178 3HB ALA 23 3HB ALA 23 -0.812 -7.991 -7.551 179 H GLU 24 H GLU 24 -2.428 -10.752 -6.815 180 HA GLU 24 HA GLU 24 -2.048 -9.948 -4.012 181 1HB GLU 24 1HB GLU 24 -4.176 -11.223 -4.074 182 2HB GLU 24 2HB GLU 24 -3.327 -12.558 -4.854 183 1HG GLU 24 1HG GLU 24 -1.734 -12.339 -2.766 184 2HG GLU 24 2HG GLU 24 -3.149 -11.587 -2.039 185 H ILE 25 H ILE 25 -0.272 -10.465 -3.332 186 HA ILE 25 HA ILE 25 1.646 -11.616 -5.110 187 HB ILE 25 HB ILE 25 1.895 -10.354 -2.375 188 1HG1 ILE 25 1HG1 ILE 25 2.314 -9.157 -5.121 189 2HG1 ILE 25 2HG1 ILE 25 0.928 -8.848 -4.082 190 1HG2 ILE 25 1HG2 ILE 25 3.976 -10.903 -4.455 191 2HG2 ILE 25 2HG2 ILE 25 3.797 -11.730 -2.906 192 3HG2 ILE 25 3HG2 ILE 25 4.222 -10.018 -2.951 193 1HD1 ILE 25 1HD1 ILE 25 2.398 -7.824 -2.428 194 2HD1 ILE 25 2HD1 ILE 25 2.526 -7.028 -3.997 195 3HD1 ILE 25 3HD1 ILE 25 3.787 -8.142 -3.467 196 H ILE 26 H ILE 26 1.673 -13.807 -5.124 197 HA ILE 26 HA ILE 26 1.780 -15.198 -2.538 198 HB ILE 26 HB ILE 26 1.409 -17.278 -3.640 199 1HG1 ILE 26 1HG1 ILE 26 2.819 -16.769 -5.679 200 2HG1 ILE 26 2HG1 ILE 26 1.313 -17.609 -6.023 201 1HG2 ILE 26 1HG2 ILE 26 -0.606 -15.967 -3.268 202 2HG2 ILE 26 2HG2 ILE 26 -0.773 -16.884 -4.765 203 3HG2 ILE 26 3HG2 ILE 26 -0.410 -15.160 -4.823 204 1HD1 ILE 26 1HD1 ILE 26 1.854 -14.678 -6.423 205 2HD1 ILE 26 2HD1 ILE 26 0.313 -15.483 -6.720 206 3HD1 ILE 26 3HD1 ILE 26 1.731 -15.913 -7.677 207 H GLU 27 H GLU 27 3.647 -14.015 -5.058 208 HA GLU 27 HA GLU 27 6.035 -15.160 -3.835 209 1HB GLU 27 1HB GLU 27 5.269 -15.270 -6.726 210 2HB GLU 27 2HB GLU 27 6.963 -15.098 -6.298 211 1HG GLU 27 1HG GLU 27 5.157 -17.321 -5.379 212 2HG GLU 27 2HG GLU 27 6.332 -17.428 -6.691 213 H VAL 28 H VAL 28 7.898 -13.849 -4.093 214 HA VAL 28 HA VAL 28 7.297 -11.039 -4.703 215 HB VAL 28 HB VAL 28 8.719 -11.873 -2.171 216 1HG1 VAL 28 1HG1 VAL 28 7.581 -9.232 -3.079 217 2HG1 VAL 28 2HG1 VAL 28 9.288 -9.664 -2.996 218 3HG1 VAL 28 3HG1 VAL 28 8.338 -9.538 -1.514 219 1HG2 VAL 28 1HG2 VAL 28 6.408 -12.639 -2.025 220 2HG2 VAL 28 2HG2 VAL 28 5.838 -11.025 -2.453 221 3HG2 VAL 28 3HG2 VAL 28 6.695 -11.285 -0.932 222 H ARG 29 H ARG 29 8.841 -10.719 -6.278 223 HA ARG 29 HA ARG 29 11.110 -12.529 -6.331 224 1HB ARG 29 1HB ARG 29 9.652 -12.362 -8.282 225 2HB ARG 29 2HB ARG 29 10.015 -10.653 -8.429 226 1HG ARG 29 1HG ARG 29 11.230 -11.951 -10.076 227 2HG ARG 29 2HG ARG 29 12.339 -11.182 -8.944 228 1HD ARG 29 1HD ARG 29 11.427 -13.984 -8.447 229 2HD ARG 29 2HD ARG 29 12.680 -13.678 -9.650 230 HE ARG 29 HE ARG 29 13.114 -12.485 -7.039 231 1HH1 ARG 29 1HH1 ARG 29 13.739 -15.219 -9.148 232 2HH1 ARG 29 2HH1 ARG 29 15.182 -15.695 -8.298 233 1HH2 ARG 29 1HH2 ARG 29 14.999 -13.121 -5.930 234 2HH2 ARG 29 2HH2 ARG 29 15.889 -14.507 -6.467 235 H SER 30 H SER 30 10.534 -9.103 -5.919 236 HA SER 30 HA SER 30 13.128 -8.265 -6.711 237 1HB SER 30 1HB SER 30 12.465 -6.158 -5.402 238 2HB SER 30 2HB SER 30 11.462 -6.604 -6.783 239 HG SER 30 HG SER 30 10.071 -6.182 -5.133 240 H ALA 31 H ALA 31 11.967 -7.541 -3.480 241 HA ALA 31 HA ALA 31 13.660 -9.228 -2.002 242 1HB ALA 31 1HB ALA 31 15.404 -7.695 -1.280 243 2HB ALA 31 2HB ALA 31 14.764 -6.435 -2.335 244 3HB ALA 31 3HB ALA 31 15.467 -7.894 -3.032 245 H ASP 32 H ASP 32 12.871 -5.777 -1.878 246 HA ASP 32 HA ASP 32 10.892 -6.229 0.188 247 1HB ASP 32 1HB ASP 32 12.998 -6.009 1.471 248 2HB ASP 32 2HB ASP 32 13.308 -4.465 0.685 249 H GLY 33 H GLY 33 9.430 -5.442 -1.298 250 1HA GLY 33 1HA GLY 33 8.182 -3.747 -2.278 251 2HA GLY 33 2HA GLY 33 9.374 -2.585 -1.707 252 H SER 34 H SER 34 8.449 -2.160 -4.177 253 HA SER 34 HA SER 34 9.168 -1.666 -6.271 254 1HB SER 34 1HB SER 34 11.803 -2.853 -5.360 255 2HB SER 34 2HB SER 34 11.559 -1.917 -6.836 256 HG SER 34 HG SER 34 10.663 -0.714 -4.514 257 HA PRO 35 HA PRO 35 8.489 -5.343 -8.637 258 1HB PRO 35 1HB PRO 35 9.824 -4.163 -10.953 259 2HB PRO 35 2HB PRO 35 8.109 -4.495 -10.710 260 1HG PRO 35 1HG PRO 35 9.106 -1.985 -10.792 261 2HG PRO 35 2HG PRO 35 7.699 -2.422 -9.807 262 1HD PRO 35 1HD PRO 35 10.552 -2.041 -8.973 263 2HD PRO 35 2HD PRO 35 9.060 -1.516 -8.162 264 HA PRO 36 HA PRO 36 8.525 -6.593 -10.367 265 1HB PRO 36 1HB PRO 36 9.123 -9.157 -11.198 266 2HB PRO 36 2HB PRO 36 9.406 -7.700 -12.150 267 1HG PRO 36 1HG PRO 36 11.353 -9.468 -11.021 268 2HG PRO 36 2HG PRO 36 11.636 -7.993 -11.957 269 1HD PRO 36 1HD PRO 36 11.675 -8.410 -9.029 270 2HD PRO 36 2HD PRO 36 12.501 -7.178 -10.007 271 H TYR 37 H TYR 37 7.073 -8.626 -10.232 272 HA TYR 37 HA TYR 37 7.380 -10.066 -7.692 273 1HB TYR 37 1HB TYR 37 4.803 -8.761 -8.593 274 2HB TYR 37 2HB TYR 37 5.036 -9.713 -7.134 275 HD1 TYR 37 HD1 TYR 37 4.955 -6.459 -8.500 276 HD2 TYR 37 HD2 TYR 37 6.777 -8.774 -5.431 277 HE1 TYR 37 HE1 TYR 37 5.476 -4.397 -7.264 278 HE2 TYR 37 HE2 TYR 37 7.296 -6.720 -4.186 279 HH TYR 37 HH TYR 37 7.668 -4.273 -4.786 280 H VAL 38 H VAL 38 5.632 -11.819 -7.592 281 HA VAL 38 HA VAL 38 4.765 -12.682 -10.259 282 HB VAL 38 HB VAL 38 6.078 -14.555 -8.263 283 1HG1 VAL 38 1HG1 VAL 38 4.783 -15.106 -10.941 284 2HG1 VAL 38 2HG1 VAL 38 4.144 -15.570 -9.365 285 3HG1 VAL 38 3HG1 VAL 38 5.640 -16.292 -9.956 286 1HG2 VAL 38 1HG2 VAL 38 7.698 -13.246 -9.547 287 2HG2 VAL 38 2HG2 VAL 38 6.919 -13.749 -11.047 288 3HG2 VAL 38 3HG2 VAL 38 7.723 -14.943 -10.029 289 H VAL 39 H VAL 39 2.713 -13.110 -10.192 290 HA VAL 39 HA VAL 39 1.462 -12.914 -7.564 291 HB VAL 39 HB VAL 39 2.269 -10.730 -9.027 292 1HG1 VAL 39 1HG1 VAL 39 0.652 -11.052 -10.768 293 2HG1 VAL 39 2HG1 VAL 39 0.248 -9.608 -9.839 294 3HG1 VAL 39 3HG1 VAL 39 -0.659 -11.100 -9.589 295 1HG2 VAL 39 1HG2 VAL 39 0.902 -9.414 -7.495 296 2HG2 VAL 39 2HG2 VAL 39 1.769 -10.718 -6.684 297 3HG2 VAL 39 3HG2 VAL 39 0.045 -10.879 -7.020 298 H ARG 40 H ARG 40 -1.000 -12.697 -7.950 299 HA ARG 40 HA ARG 40 -1.816 -13.986 -10.447 300 1HB ARG 40 1HB ARG 40 -2.736 -14.815 -7.682 301 2HB ARG 40 2HB ARG 40 -3.411 -15.407 -9.189 302 1HG ARG 40 1HG ARG 40 -1.347 -16.517 -9.729 303 2HG ARG 40 2HG ARG 40 -0.566 -15.823 -8.304 304 1HD ARG 40 1HD ARG 40 -2.168 -17.006 -6.867 305 2HD ARG 40 2HD ARG 40 -2.913 -17.719 -8.297 306 HE ARG 40 HE ARG 40 -0.462 -18.589 -8.642 307 1HH1 ARG 40 1HH1 ARG 40 -2.334 -18.440 -5.684 308 2HH1 ARG 40 2HH1 ARG 40 -1.451 -19.721 -4.909 309 1HH2 ARG 40 1HH2 ARG 40 0.662 -20.293 -7.662 310 2HH2 ARG 40 2HH2 ARG 40 0.243 -20.801 -6.050 311 H TRP 41 H TRP 41 -3.524 -12.979 -11.313 312 HA TRP 41 HA TRP 41 -5.056 -11.065 -9.779 313 1HB TRP 41 1HB TRP 41 -5.973 -12.212 -12.405 314 2HB TRP 41 2HB TRP 41 -6.217 -10.591 -11.768 315 HD1 TRP 41 HD1 TRP 41 -4.469 -12.208 -14.422 316 HE1 TRP 41 HE1 TRP 41 -2.440 -10.857 -15.250 317 HE3 TRP 41 HE3 TRP 41 -3.966 -9.012 -10.471 318 HZ2 TRP 41 HZ2 TRP 41 -0.844 -8.731 -14.341 319 HZ3 TRP 41 HZ3 TRP 41 -2.158 -7.351 -10.533 320 HH2 TRP 41 HH2 TRP 41 -0.631 -7.212 -12.427 321 H LEU 42 H LEU 42 -5.804 -12.378 -8.065 322 HA LEU 42 HA LEU 42 -6.335 -15.136 -8.440 323 1HB LEU 42 1HB LEU 42 -7.707 -13.745 -6.213 324 2HB LEU 42 2HB LEU 42 -6.877 -15.284 -6.229 325 HG LEU 42 HG LEU 42 -5.483 -12.623 -6.301 326 1HD1 LEU 42 1HD1 LEU 42 -6.788 -12.890 -4.281 327 2HD1 LEU 42 2HD1 LEU 42 -5.067 -13.055 -3.933 328 3HD1 LEU 42 3HD1 LEU 42 -6.090 -14.489 -4.024 329 1HD2 LEU 42 1HD2 LEU 42 -3.529 -13.929 -5.657 330 2HD2 LEU 42 2HD2 LEU 42 -4.171 -14.494 -7.199 331 3HD2 LEU 42 3HD2 LEU 42 -4.482 -15.412 -5.725 332 H VAL 43 H VAL 43 -8.700 -12.682 -7.445 333 HA VAL 43 HA VAL 43 -10.885 -14.373 -7.802 334 HB VAL 43 HB VAL 43 -12.150 -12.087 -7.855 335 1HG1 VAL 43 1HG1 VAL 43 -12.073 -13.652 -5.988 336 2HG1 VAL 43 2HG1 VAL 43 -11.961 -11.983 -5.425 337 3HG1 VAL 43 3HG1 VAL 43 -10.514 -12.989 -5.502 338 1HG2 VAL 43 1HG2 VAL 43 -9.429 -11.249 -6.869 339 2HG2 VAL 43 2HG2 VAL 43 -10.901 -10.282 -6.774 340 3HG2 VAL 43 3HG2 VAL 43 -10.206 -10.678 -8.346 341 H ASN 44 H ASN 44 -9.270 -12.173 -9.997 342 HA ASN 44 HA ASN 44 -11.069 -12.400 -12.130 343 1HB ASN 44 1HB ASN 44 -8.088 -11.972 -12.072 344 2HB ASN 44 2HB ASN 44 -8.972 -12.085 -13.587 345 1HD2 ASN 44 1HD2 ASN 44 -10.274 -10.604 -10.690 346 2HD2 ASN 44 2HD2 ASN 44 -10.237 -8.980 -11.280 347 H GLY 45 H GLY 45 -8.029 -14.207 -11.654 348 1HA GLY 45 1HA GLY 45 -8.282 -16.684 -11.589 349 2HA GLY 45 2HA GLY 45 -9.291 -16.508 -13.014 350 H HIS 46 H HIS 46 -6.149 -14.958 -12.268 351 HA HIS 46 HA HIS 46 -4.903 -16.592 -14.361 352 1HB HIS 46 1HB HIS 46 -5.734 -14.414 -15.348 353 2HB HIS 46 2HB HIS 46 -4.579 -13.587 -14.312 354 HD1 HIS 46 HD1 HIS 46 -2.117 -13.631 -15.027 355 HD2 HIS 46 HD2 HIS 46 -4.603 -15.842 -17.511 356 HE1 HIS 46 HE1 HIS 46 -0.724 -14.199 -17.037 357 HE2 HIS 46 HE2 HIS 46 -2.330 -15.304 -18.625 358 H GLU 47 H GLU 47 -2.476 -16.397 -14.352 359 HA GLU 47 HA GLU 47 -1.350 -15.470 -11.794 360 1HB GLU 47 1HB GLU 47 -1.764 -17.854 -11.511 361 2HB GLU 47 2HB GLU 47 -0.933 -18.205 -13.021 362 1HG GLU 47 1HG GLU 47 1.154 -17.353 -12.048 363 2HG GLU 47 2HG GLU 47 0.306 -17.064 -10.529 364 H THR 48 H THR 48 0.475 -14.347 -12.070 365 HA THR 48 HA THR 48 1.806 -14.404 -14.668 366 HB THR 48 HB THR 48 -0.067 -12.862 -14.838 367 HG1 THR 48 HG1 THR 48 1.199 -11.829 -16.162 368 1HG2 THR 48 1HG2 THR 48 1.349 -11.313 -12.688 369 2HG2 THR 48 2HG2 THR 48 -0.212 -12.118 -12.538 370 3HG2 THR 48 3HG2 THR 48 -0.034 -10.735 -13.617 371 H THR 49 H THR 49 3.421 -12.498 -14.719 372 HA THR 49 HA THR 49 4.760 -11.992 -12.160 373 HB THR 49 HB THR 49 6.185 -12.905 -14.687 374 HG1 THR 49 HG1 THR 49 5.117 -14.322 -12.731 375 1HG2 THR 49 1HG2 THR 49 8.240 -12.792 -13.322 376 2HG2 THR 49 2HG2 THR 49 7.307 -12.115 -11.987 377 3HG2 THR 49 3HG2 THR 49 7.481 -11.209 -13.489 378 H VAL 50 H VAL 50 4.867 -9.786 -12.017 379 HA VAL 50 HA VAL 50 4.627 -8.239 -14.512 380 HB VAL 50 HB VAL 50 2.686 -6.977 -13.480 381 1HG1 VAL 50 1HG1 VAL 50 1.038 -8.591 -14.313 382 2HG1 VAL 50 2HG1 VAL 50 2.282 -9.842 -14.327 383 3HG1 VAL 50 3HG1 VAL 50 2.424 -8.445 -15.394 384 1HG2 VAL 50 1HG2 VAL 50 2.865 -7.832 -11.210 385 2HG2 VAL 50 2HG2 VAL 50 2.547 -9.470 -11.783 386 3HG2 VAL 50 3HG2 VAL 50 1.292 -8.237 -11.896 387 H TYR 51 H TYR 51 4.131 -5.837 -13.830 388 HA TYR 51 HA TYR 51 5.843 -4.999 -11.598 389 1HB TYR 51 1HB TYR 51 6.031 -3.573 -14.237 390 2HB TYR 51 2HB TYR 51 7.187 -3.605 -12.913 391 HD1 TYR 51 HD1 TYR 51 6.047 -5.247 -15.951 392 HD2 TYR 51 HD2 TYR 51 8.729 -5.513 -12.663 393 HE1 TYR 51 HE1 TYR 51 7.331 -6.965 -17.148 394 HE2 TYR 51 HE2 TYR 51 10.022 -7.235 -13.852 395 HH TYR 51 HH TYR 51 9.584 -7.901 -17.168 396 HA PRO 52 HA PRO 52 2.205 -2.399 -11.231 397 1HB PRO 52 1HB PRO 52 2.957 -1.068 -8.997 398 2HB PRO 52 2HB PRO 52 2.369 -2.733 -8.975 399 1HG PRO 52 1HG PRO 52 5.165 -1.707 -8.812 400 2HG PRO 52 2HG PRO 52 4.416 -3.064 -7.955 401 1HD PRO 52 1HD PRO 52 6.040 -3.341 -10.150 402 2HD PRO 52 2HD PRO 52 4.799 -4.517 -9.676 403 H GLY 53 H GLY 53 4.835 -0.393 -9.946 404 1HA GLY 53 1HA GLY 53 5.742 1.267 -11.715 405 2HA GLY 53 2HA GLY 53 4.042 1.698 -11.850 406 H SER 54 H SER 54 4.558 3.838 -11.190 407 HA SER 54 HA SER 54 5.570 4.230 -8.490 408 1HB SER 54 1HB SER 54 4.653 6.208 -10.590 409 2HB SER 54 2HB SER 54 5.366 6.645 -9.037 410 HG SER 54 HG SER 54 6.567 5.327 -11.232 411 H ASP 55 H ASP 55 4.378 5.616 -6.966 412 HA ASP 55 HA ASP 55 2.597 5.963 -5.600 413 1HB ASP 55 1HB ASP 55 1.671 6.982 -7.848 414 2HB ASP 55 2HB ASP 55 0.642 5.553 -7.844 415 H ALA 56 H ALA 56 3.710 3.479 -5.847 416 HA ALA 56 HA ALA 56 1.669 1.469 -6.049 417 1HB ALA 56 1HB ALA 56 4.521 1.214 -5.096 418 2HB ALA 56 2HB ALA 56 3.966 0.991 -6.755 419 3HB ALA 56 3HB ALA 56 3.427 -0.113 -5.489 420 H VAL 57 H VAL 57 0.680 0.396 -4.416 421 HA VAL 57 HA VAL 57 1.129 1.256 -1.636 422 HB VAL 57 HB VAL 57 -1.659 1.115 -2.774 423 1HG1 VAL 57 1HG1 VAL 57 -1.421 1.028 -0.345 424 2HG1 VAL 57 2HG1 VAL 57 -2.231 2.509 -0.856 425 3HG1 VAL 57 3HG1 VAL 57 -0.535 2.553 -0.373 426 1HG2 VAL 57 1HG2 VAL 57 0.050 3.596 -2.647 427 2HG2 VAL 57 2HG2 VAL 57 -1.682 3.565 -2.981 428 3HG2 VAL 57 3HG2 VAL 57 -0.551 2.811 -4.107 429 H VAL 58 H VAL 58 -0.514 -0.077 -0.258 430 HA VAL 58 HA VAL 58 -0.624 -2.841 -1.245 431 HB VAL 58 HB VAL 58 0.615 -2.049 1.403 432 1HG1 VAL 58 1HG1 VAL 58 -0.588 -4.147 1.569 433 2HG1 VAL 58 2HG1 VAL 58 1.150 -4.442 1.611 434 3HG1 VAL 58 3HG1 VAL 58 0.236 -4.761 0.137 435 1HG2 VAL 58 1HG2 VAL 58 2.116 -1.568 -0.453 436 2HG2 VAL 58 2HG2 VAL 58 1.899 -3.205 -1.070 437 3HG2 VAL 58 3HG2 VAL 58 2.703 -2.946 0.478 438 H VAL 59 H VAL 59 -2.247 -4.008 -0.499 439 HA VAL 59 HA VAL 59 -4.128 -2.986 1.446 440 HB VAL 59 HB VAL 59 -5.806 -3.853 -0.222 441 1HG1 VAL 59 1HG1 VAL 59 -5.578 -1.485 0.237 442 2HG1 VAL 59 2HG1 VAL 59 -5.925 -1.765 -1.470 443 3HG1 VAL 59 3HG1 VAL 59 -4.279 -1.389 -0.954 444 1HG2 VAL 59 1HG2 VAL 59 -5.185 -3.754 -2.582 445 2HG2 VAL 59 2HG2 VAL 59 -4.349 -5.034 -1.702 446 3HG2 VAL 59 3HG2 VAL 59 -3.505 -3.535 -2.091 447 H THR 60 H THR 60 -5.910 -4.763 1.476 448 HA THR 60 HA THR 60 -4.551 -7.369 1.942 449 HB THR 60 HB THR 60 -5.201 -5.891 3.928 450 HG1 THR 60 HG1 THR 60 -5.189 -7.749 4.926 451 1HG2 THR 60 1HG2 THR 60 -7.987 -6.673 3.145 452 2HG2 THR 60 2HG2 THR 60 -7.316 -5.042 3.161 453 3HG2 THR 60 3HG2 THR 60 -7.525 -5.923 4.674 454 H ALA 61 H ALA 61 -6.924 -8.647 2.802 455 HA ALA 61 HA ALA 61 -7.960 -9.720 0.455 456 1HB ALA 61 1HB ALA 61 -7.960 -10.870 2.607 457 2HB ALA 61 2HB ALA 61 -9.565 -10.864 1.873 458 3HB ALA 61 3HB ALA 61 -9.196 -9.760 3.199 459 H THR 62 H THR 62 -9.516 -7.314 2.628 460 HA THR 62 HA THR 62 -11.959 -7.195 1.239 461 HB THR 62 HB THR 62 -11.715 -4.648 2.096 462 HG1 THR 62 HG1 THR 62 -10.539 -4.674 4.033 463 1HG2 THR 62 1HG2 THR 62 -12.476 -7.055 3.737 464 2HG2 THR 62 2HG2 THR 62 -13.520 -6.178 2.617 465 3HG2 THR 62 3HG2 THR 62 -12.937 -5.388 4.083 466 H GLU 63 H GLU 63 -9.177 -4.956 0.960 467 HA GLU 63 HA GLU 63 -10.317 -3.441 -1.128 468 1HB GLU 63 1HB GLU 63 -7.526 -3.940 -0.189 469 2HB GLU 63 2HB GLU 63 -7.779 -3.086 -1.703 470 1HG GLU 63 1HG GLU 63 -9.072 -2.238 0.867 471 2HG GLU 63 2HG GLU 63 -7.482 -1.664 0.355 472 H HIS 64 H HIS 64 -8.800 -6.494 -1.081 473 HA HIS 64 HA HIS 64 -7.851 -6.748 -3.658 474 1HB HIS 64 1HB HIS 64 -7.111 -8.573 -2.663 475 2HB HIS 64 2HB HIS 64 -8.273 -8.388 -1.364 476 HD1 HIS 64 HD1 HIS 64 -10.150 -10.035 -1.236 477 HD2 HIS 64 HD2 HIS 64 -8.064 -10.314 -4.815 478 HE1 HIS 64 HE1 HIS 64 -10.953 -12.152 -2.322 479 HE2 HIS 64 HE2 HIS 64 -9.476 -12.427 -4.334 480 H ALA 65 H ALA 65 -11.172 -7.293 -2.507 481 HA ALA 65 HA ALA 65 -11.996 -8.986 -4.572 482 1HB ALA 65 1HB ALA 65 -14.268 -8.400 -3.866 483 2HB ALA 65 2HB ALA 65 -13.628 -7.042 -2.939 484 3HB ALA 65 3HB ALA 65 -13.219 -8.693 -2.478 485 H GLU 66 H GLU 66 -13.148 -5.724 -4.160 486 HA GLU 66 HA GLU 66 -14.142 -5.365 -6.737 487 1HB GLU 66 1HB GLU 66 -13.890 -2.852 -5.986 488 2HB GLU 66 2HB GLU 66 -15.048 -3.922 -5.208 489 1HG GLU 66 1HG GLU 66 -13.792 -4.096 -3.258 490 2HG GLU 66 2HG GLU 66 -12.291 -3.621 -4.059 491 H ALA 67 H ALA 67 -11.145 -4.149 -5.299 492 HA ALA 67 HA ALA 67 -10.185 -2.761 -7.499 493 1HB ALA 67 1HB ALA 67 -8.557 -4.132 -5.367 494 2HB ALA 67 2HB ALA 67 -9.255 -2.516 -5.250 495 3HB ALA 67 3HB ALA 67 -8.004 -2.852 -6.447 496 H GLU 68 H GLU 68 -9.560 -6.155 -6.542 497 HA GLU 68 HA GLU 68 -7.687 -6.662 -8.553 498 1HB GLU 68 1HB GLU 68 -8.574 -8.118 -6.516 499 2HB GLU 68 2HB GLU 68 -9.517 -8.862 -7.798 500 1HG GLU 68 1HG GLU 68 -7.669 -9.719 -8.850 501 2HG GLU 68 2HG GLU 68 -6.588 -8.496 -8.175 502 H LYS 69 H LYS 69 -11.246 -6.860 -8.666 503 HA LYS 69 HA LYS 69 -11.370 -7.887 -11.266 504 1HB LYS 69 1HB LYS 69 -13.185 -5.870 -9.943 505 2HB LYS 69 2HB LYS 69 -13.537 -6.657 -11.478 506 1HG LYS 69 1HG LYS 69 -13.319 -8.857 -10.270 507 2HG LYS 69 2HG LYS 69 -13.274 -7.931 -8.768 508 1HD LYS 69 1HD LYS 69 -15.465 -6.997 -9.263 509 2HD LYS 69 2HD LYS 69 -15.506 -7.872 -10.796 510 1HE LYS 69 1HE LYS 69 -15.327 -9.998 -9.523 511 2HE LYS 69 2HE LYS 69 -15.440 -9.069 -8.028 512 1HZ LYS 69 1HZ LYS 69 -17.625 -8.297 -8.723 513 2HZ LYS 69 2HZ LYS 69 -17.573 -9.990 -8.660 514 3HZ LYS 69 3HZ LYS 69 -17.509 -9.196 -10.156 515 H ARG 70 H ARG 70 -11.755 -4.393 -10.524 516 HA ARG 70 HA ARG 70 -11.486 -3.613 -13.249 517 1HB ARG 70 1HB ARG 70 -10.875 -1.957 -10.792 518 2HB ARG 70 2HB ARG 70 -11.152 -1.328 -12.407 519 1HG ARG 70 1HG ARG 70 -13.292 -1.131 -11.899 520 2HG ARG 70 2HG ARG 70 -13.397 -2.891 -11.809 521 1HD ARG 70 1HD ARG 70 -14.226 -1.823 -9.759 522 2HD ARG 70 2HD ARG 70 -12.811 -2.830 -9.451 523 HE ARG 70 HE ARG 70 -11.921 -0.219 -9.890 524 1HH1 ARG 70 1HH1 ARG 70 -13.841 -1.965 -7.548 525 2HH1 ARG 70 2HH1 ARG 70 -13.398 -0.946 -6.209 526 1HH2 ARG 70 1HH2 ARG 70 -11.324 1.135 -8.152 527 2HH2 ARG 70 2HH2 ARG 70 -11.979 0.837 -6.559 528 H ALA 71 H ALA 71 -9.227 -3.240 -10.640 529 HA ALA 71 HA ALA 71 -7.092 -2.132 -11.990 530 1HB ALA 71 1HB ALA 71 -7.107 -3.773 -9.478 531 2HB ALA 71 2HB ALA 71 -7.452 -2.048 -9.593 532 3HB ALA 71 3HB ALA 71 -5.843 -2.654 -9.987 533 H ALA 72 H ALA 72 -7.519 -5.612 -11.077 534 HA ALA 72 HA ALA 72 -5.026 -6.430 -12.061 535 1HB ALA 72 1HB ALA 72 -7.528 -8.095 -11.983 536 2HB ALA 72 2HB ALA 72 -6.388 -7.886 -10.654 537 3HB ALA 72 3HB ALA 72 -5.874 -8.691 -12.138 538 H ALA 73 H ALA 73 -8.156 -6.048 -13.722 539 HA ALA 73 HA ALA 73 -7.365 -7.085 -16.199 540 1HB ALA 73 1HB ALA 73 -9.042 -5.614 -17.194 541 2HB ALA 73 2HB ALA 73 -9.120 -4.681 -15.699 542 3HB ALA 73 3HB ALA 73 -9.654 -6.363 -15.719 543 H ARG 74 H ARG 74 -7.002 -3.795 -14.937 544 HA ARG 74 HA ARG 74 -5.581 -2.661 -17.064 545 1HB ARG 74 1HB ARG 74 -6.482 -1.276 -15.310 546 2HB ARG 74 2HB ARG 74 -5.451 -2.053 -14.114 547 1HG ARG 74 1HG ARG 74 -4.296 -0.115 -14.489 548 2HG ARG 74 2HG ARG 74 -3.518 -1.190 -15.651 549 1HD ARG 74 1HD ARG 74 -3.912 0.623 -16.983 550 2HD ARG 74 2HD ARG 74 -5.408 -0.275 -17.243 551 HE ARG 74 HE ARG 74 -5.846 1.382 -15.055 552 1HH1 ARG 74 1HH1 ARG 74 -5.165 1.697 -18.473 553 2HH1 ARG 74 2HH1 ARG 74 -5.839 3.295 -18.595 554 1HH2 ARG 74 1HH2 ARG 74 -6.763 3.455 -15.198 555 2HH2 ARG 74 2HH2 ARG 74 -6.767 4.296 -16.716 556 H ALA 75 H ALA 75 -4.218 -3.885 -14.013 557 HA ALA 75 HA ALA 75 -1.596 -3.135 -14.421 558 1HB ALA 75 1HB ALA 75 -0.999 -4.659 -12.643 559 2HB ALA 75 2HB ALA 75 -2.521 -5.526 -12.838 560 3HB ALA 75 3HB ALA 75 -2.526 -3.858 -12.271 561 H GLY 76 H GLY 76 -3.159 -6.106 -15.560 562 1HA GLY 76 1HA GLY 76 -0.458 -6.973 -16.446 563 2HA GLY 76 2HA GLY 76 -1.718 -8.097 -15.992 564 H HIS 77 H HIS 77 -2.804 -5.421 -17.816 565 HA HIS 77 HA HIS 77 -2.992 -7.140 -20.185 566 1HB HIS 77 1HB HIS 77 -5.082 -6.108 -19.309 567 2HB HIS 77 2HB HIS 77 -4.402 -4.518 -19.643 568 HD1 HIS 77 HD1 HIS 77 -4.930 -3.574 -21.881 569 HD2 HIS 77 HD2 HIS 77 -5.347 -7.715 -21.778 570 HE1 HIS 77 HE1 HIS 77 -5.851 -4.225 -24.131 571 HE2 HIS 77 HE2 HIS 77 -5.974 -6.743 -24.091 572 H ALA 78 H ALA 78 -2.020 -3.861 -19.225 573 HA ALA 78 HA ALA 78 -0.783 -3.502 -21.856 574 1HB ALA 78 1HB ALA 78 -2.284 -1.724 -21.078 575 2HB ALA 78 2HB ALA 78 -0.635 -1.141 -21.300 576 3HB ALA 78 3HB ALA 78 -1.245 -1.466 -19.678 577 H ALA 79 H ALA 79 0.992 -4.893 -21.484 578 HA ALA 79 HA ALA 79 2.907 -4.062 -19.444 579 1HB ALA 79 1HB ALA 79 2.435 -6.459 -19.671 580 2HB ALA 79 2HB ALA 79 4.128 -6.089 -19.996 581 3HB ALA 79 3HB ALA 79 3.023 -6.412 -21.334 582 H THR 80 H THR 80 3.264 -2.023 -20.557 583 HA THR 80 HA THR 80 5.565 -2.214 -22.286 584 HB THR 80 HB THR 80 3.132 -0.670 -23.234 585 HG1 THR 80 HG1 THR 80 3.909 -3.252 -23.612 586 1HG2 THR 80 1HG2 THR 80 5.828 -1.117 -24.532 587 2HG2 THR 80 2HG2 THR 80 5.255 0.399 -23.838 588 3HG2 THR 80 3HG2 THR 80 4.461 -0.275 -25.260 Start of MODEL 24 1 H MET 1 H MET 1 8.644 1.385 1.058 2 HA MET 1 HA MET 1 6.723 1.208 2.489 3 1HB MET 1 1HB MET 1 4.780 -0.121 1.696 4 2HB MET 1 2HB MET 1 4.965 1.402 0.846 5 1HG MET 1 1HG MET 1 4.419 -0.100 -0.826 6 2HG MET 1 2HG MET 1 6.169 0.037 -0.955 7 1HE MET 1 1HE MET 1 5.926 -2.171 -2.516 8 2HE MET 1 2HE MET 1 4.205 -2.313 -2.158 9 3HE MET 1 3HE MET 1 5.270 -3.700 -1.929 10 H HIS 2 H HIS 2 5.744 -1.237 3.041 11 HA HIS 2 HA HIS 2 7.822 -3.179 2.362 12 1HB HIS 2 1HB HIS 2 8.017 -3.945 4.699 13 2HB HIS 2 2HB HIS 2 8.560 -2.288 4.500 14 HD1 HIS 2 HD1 HIS 2 6.899 -0.405 5.459 15 HD2 HIS 2 HD2 HIS 2 6.049 -4.330 6.552 16 HE1 HIS 2 HE1 HIS 2 5.342 -0.244 7.429 17 HE2 HIS 2 HE2 HIS 2 4.667 -2.626 7.913 18 H ALA 3 H ALA 3 6.694 -4.620 1.275 19 HA ALA 3 HA ALA 3 4.017 -5.360 2.216 20 1HB ALA 3 1HB ALA 3 4.210 -4.621 -0.114 21 2HB ALA 3 2HB ALA 3 3.665 -6.294 0.002 22 3HB ALA 3 3HB ALA 3 5.337 -5.940 -0.432 23 H LYS 4 H LYS 4 3.408 -7.668 1.936 24 HA LYS 4 HA LYS 4 5.645 -9.531 2.286 25 1HB LYS 4 1HB LYS 4 3.147 -9.447 3.993 26 2HB LYS 4 2HB LYS 4 4.349 -10.728 4.031 27 1HG LYS 4 1HG LYS 4 6.036 -9.034 4.717 28 2HG LYS 4 2HG LYS 4 4.727 -7.855 4.831 29 1HD LYS 4 1HD LYS 4 5.193 -8.777 7.021 30 2HD LYS 4 2HD LYS 4 3.600 -9.310 6.477 31 1HE LYS 4 1HE LYS 4 4.526 -11.460 5.813 32 2HE LYS 4 2HE LYS 4 6.141 -10.929 6.283 33 1HZ LYS 4 1HZ LYS 4 5.196 -12.278 8.010 34 2HZ LYS 4 2HZ LYS 4 3.810 -11.310 8.086 35 3HZ LYS 4 3HZ LYS 4 5.313 -10.681 8.567 36 H VAL 5 H VAL 5 4.724 -11.854 2.188 37 HA VAL 5 HA VAL 5 3.188 -12.038 -0.255 38 HB VAL 5 HB VAL 5 5.076 -13.563 0.081 39 1HG1 VAL 5 1HG1 VAL 5 4.978 -15.361 1.742 40 2HG1 VAL 5 2HG1 VAL 5 3.489 -14.675 2.392 41 3HG1 VAL 5 3HG1 VAL 5 4.999 -13.770 2.505 42 1HG2 VAL 5 1HG2 VAL 5 3.962 -15.676 -0.456 43 2HG2 VAL 5 2HG2 VAL 5 3.250 -14.316 -1.325 44 3HG2 VAL 5 3HG2 VAL 5 2.425 -14.995 0.079 45 H GLY 6 H GLY 6 1.194 -12.932 -0.529 46 1HA GLY 6 1HA GLY 6 -0.863 -13.837 0.141 47 2HA GLY 6 2HA GLY 6 -0.339 -13.741 1.819 48 H ASP 7 H ASP 7 0.402 -10.944 0.169 49 HA ASP 7 HA ASP 7 -2.014 -9.602 1.288 50 1HB ASP 7 1HB ASP 7 0.784 -8.553 0.777 51 2HB ASP 7 2HB ASP 7 -0.585 -7.504 1.122 52 H TYR 8 H TYR 8 -2.430 -7.471 0.044 53 HA TYR 8 HA TYR 8 -2.569 -8.174 -2.801 54 1HB TYR 8 1HB TYR 8 -4.427 -6.970 -0.925 55 2HB TYR 8 2HB TYR 8 -4.222 -5.976 -2.361 56 HD1 TYR 8 HD1 TYR 8 -4.511 -9.649 -1.693 57 HD2 TYR 8 HD2 TYR 8 -5.881 -6.287 -3.905 58 HE1 TYR 8 HE1 TYR 8 -6.093 -11.091 -2.897 59 HE2 TYR 8 HE2 TYR 8 -7.467 -7.720 -5.113 60 HH TYR 8 HH TYR 8 -7.611 -10.226 -5.706 61 H LEU 9 H LEU 9 -1.789 -6.886 -4.316 62 HA LEU 9 HA LEU 9 -0.135 -4.630 -3.477 63 1HB LEU 9 1HB LEU 9 0.955 -6.419 -4.749 64 2HB LEU 9 2HB LEU 9 -0.204 -6.227 -6.045 65 HG LEU 9 HG LEU 9 1.538 -3.908 -5.289 66 1HD1 LEU 9 1HD1 LEU 9 2.344 -6.201 -7.080 67 2HD1 LEU 9 2HD1 LEU 9 3.064 -5.805 -5.519 68 3HD1 LEU 9 3HD1 LEU 9 3.227 -4.690 -6.875 69 1HD2 LEU 9 1HD2 LEU 9 1.304 -3.402 -7.675 70 2HD2 LEU 9 2HD2 LEU 9 -0.272 -3.565 -6.901 71 3HD2 LEU 9 3HD2 LEU 9 0.360 -4.875 -7.899 72 H VAL 10 H VAL 10 -0.521 -2.650 -4.078 73 HA VAL 10 HA VAL 10 -2.447 -2.043 -6.211 74 HB VAL 10 HB VAL 10 -2.298 -0.786 -3.451 75 1HG1 VAL 10 1HG1 VAL 10 -2.467 1.006 -5.101 76 2HG1 VAL 10 2HG1 VAL 10 -3.968 0.832 -4.193 77 3HG1 VAL 10 3HG1 VAL 10 -3.856 0.203 -5.836 78 1HG2 VAL 10 1HG2 VAL 10 -3.696 -2.766 -3.603 79 2HG2 VAL 10 2HG2 VAL 10 -4.559 -2.067 -4.974 80 3HG2 VAL 10 3HG2 VAL 10 -4.690 -1.325 -3.379 81 H VAL 11 H VAL 11 -1.966 0.100 -7.205 82 HA VAL 11 HA VAL 11 0.683 1.181 -6.497 83 HB VAL 11 HB VAL 11 -0.378 0.583 -9.260 84 1HG1 VAL 11 1HG1 VAL 11 2.021 2.271 -8.548 85 2HG1 VAL 11 2HG1 VAL 11 0.527 2.855 -9.281 86 3HG1 VAL 11 3HG1 VAL 11 1.572 1.745 -10.171 87 1HG2 VAL 11 1HG2 VAL 11 1.749 -0.600 -9.496 88 2HG2 VAL 11 2HG2 VAL 11 0.797 -1.227 -8.150 89 3HG2 VAL 11 3HG2 VAL 11 2.171 -0.164 -7.840 90 H LYS 12 H LYS 12 0.708 3.345 -6.183 91 HA LYS 12 HA LYS 12 -1.735 4.831 -6.607 92 1HB LYS 12 1HB LYS 12 0.047 5.066 -4.673 93 2HB LYS 12 2HB LYS 12 0.839 6.144 -5.811 94 1HG LYS 12 1HG LYS 12 -2.021 6.470 -4.924 95 2HG LYS 12 2HG LYS 12 -0.655 7.253 -4.135 96 1HD LYS 12 1HD LYS 12 -1.093 7.587 -7.080 97 2HD LYS 12 2HD LYS 12 -2.024 8.544 -5.930 98 1HE LYS 12 1HE LYS 12 -0.062 9.771 -6.679 99 2HE LYS 12 2HE LYS 12 0.055 9.403 -4.961 100 1HZ LYS 12 1HZ LYS 12 2.137 9.056 -6.242 101 2HZ LYS 12 2HZ LYS 12 1.373 7.795 -7.079 102 3HZ LYS 12 3HZ LYS 12 1.607 7.684 -5.402 103 H GLY 13 H GLY 13 -1.513 4.229 -8.938 104 1HA GLY 13 1HA GLY 13 -0.186 6.454 -10.354 105 2HA GLY 13 2HA GLY 13 -0.268 4.827 -11.029 106 H THR 14 H THR 14 -1.983 7.740 -10.355 107 HA THR 14 HA THR 14 -4.616 6.903 -10.501 108 HB THR 14 HB THR 14 -3.614 9.574 -11.480 109 HG1 THR 14 HG1 THR 14 -3.232 10.108 -9.435 110 1HG2 THR 14 1HG2 THR 14 -6.003 9.145 -11.822 111 2HG2 THR 14 2HG2 THR 14 -5.750 10.383 -10.589 112 3HG2 THR 14 3HG2 THR 14 -6.177 8.738 -10.114 113 H THR 15 H THR 15 -5.177 5.536 -12.100 114 HA THR 15 HA THR 15 -5.210 6.665 -14.820 115 HB THR 15 HB THR 15 -5.034 3.705 -14.233 116 HG1 THR 15 HG1 THR 15 -3.116 4.837 -13.538 117 1HG2 THR 15 1HG2 THR 15 -4.563 5.327 -16.740 118 2HG2 THR 15 2HG2 THR 15 -5.968 4.313 -16.412 119 3HG2 THR 15 3HG2 THR 15 -4.375 3.580 -16.599 120 H THR 16 H THR 16 -6.649 3.705 -13.442 121 HA THR 16 HA THR 16 -9.296 4.563 -14.288 122 HB THR 16 HB THR 16 -8.795 2.143 -12.583 123 HG1 THR 16 HG1 THR 16 -7.234 1.757 -14.044 124 1HG2 THR 16 1HG2 THR 16 -11.087 2.687 -13.247 125 2HG2 THR 16 2HG2 THR 16 -10.554 1.183 -13.996 126 3HG2 THR 16 3HG2 THR 16 -10.607 2.669 -14.944 127 H GLU 17 H GLU 17 -7.307 4.437 -11.520 128 HA GLU 17 HA GLU 17 -9.188 5.882 -9.874 129 1HB GLU 17 1HB GLU 17 -9.821 3.545 -9.443 130 2HB GLU 17 2HB GLU 17 -8.147 3.128 -9.126 131 1HG GLU 17 1HG GLU 17 -9.547 3.318 -7.101 132 2HG GLU 17 2HG GLU 17 -8.145 4.385 -7.101 133 H ARG 18 H ARG 18 -8.013 6.625 -7.831 134 HA ARG 18 HA ARG 18 -5.400 7.543 -8.387 135 1HB ARG 18 1HB ARG 18 -6.710 7.184 -5.680 136 2HB ARG 18 2HB ARG 18 -5.280 8.149 -6.004 137 1HG ARG 18 1HG ARG 18 -6.650 9.605 -7.466 138 2HG ARG 18 2HG ARG 18 -8.076 8.677 -6.989 139 1HD ARG 18 1HD ARG 18 -7.571 9.232 -4.621 140 2HD ARG 18 2HD ARG 18 -6.258 10.265 -5.181 141 HE ARG 18 HE ARG 18 -8.942 10.812 -6.198 142 1HH1 ARG 18 1HH1 ARG 18 -6.296 11.693 -4.084 143 2HH1 ARG 18 2HH1 ARG 18 -6.943 13.258 -3.708 144 1HH2 ARG 18 1HH2 ARG 18 -9.783 12.878 -5.736 145 2HH2 ARG 18 2HH2 ARG 18 -8.925 13.946 -4.665 146 H HIS 19 H HIS 19 -6.635 4.617 -7.133 147 HA HIS 19 HA HIS 19 -3.907 3.603 -6.741 148 1HB HIS 19 1HB HIS 19 -6.411 2.930 -5.177 149 2HB HIS 19 2HB HIS 19 -4.908 2.021 -5.060 150 HD1 HIS 19 HD1 HIS 19 -6.583 5.107 -3.890 151 HD2 HIS 19 HD2 HIS 19 -2.774 3.430 -3.796 152 HE1 HIS 19 HE1 HIS 19 -5.304 6.412 -2.156 153 HE2 HIS 19 HE2 HIS 19 -2.962 5.471 -2.216 154 H ASP 20 H ASP 20 -3.620 2.592 -8.648 155 HA ASP 20 HA ASP 20 -5.750 0.824 -9.657 156 1HB ASP 20 1HB ASP 20 -4.558 2.816 -11.004 157 2HB ASP 20 2HB ASP 20 -3.371 1.557 -11.313 158 H GLN 21 H GLN 21 -4.131 -0.772 -11.331 159 HA GLN 21 HA GLN 21 -3.083 -2.806 -11.225 160 1HB GLN 21 1HB GLN 21 -1.177 -0.964 -9.829 161 2HB GLN 21 2HB GLN 21 -0.807 -2.676 -9.955 162 1HG GLN 21 1HG GLN 21 0.294 -1.577 -11.732 163 2HG GLN 21 2HG GLN 21 -1.057 -2.468 -12.428 164 1HE2 GLN 21 1HE2 GLN 21 0.244 0.655 -11.693 165 2HE2 GLN 21 2HE2 GLN 21 -0.871 1.570 -12.648 166 H HIS 22 H HIS 22 -4.417 -4.182 -10.068 167 HA HIS 22 HA HIS 22 -3.794 -4.414 -7.194 168 1HB HIS 22 1HB HIS 22 -6.523 -4.848 -8.427 169 2HB HIS 22 2HB HIS 22 -6.114 -4.966 -6.722 170 HD1 HIS 22 HD1 HIS 22 -8.162 -2.969 -8.320 171 HD2 HIS 22 HD2 HIS 22 -4.552 -2.039 -6.497 172 HE1 HIS 22 HE1 HIS 22 -8.308 -0.531 -7.749 173 HE2 HIS 22 HE2 HIS 22 -6.015 0.055 -6.920 174 H ALA 23 H ALA 23 -3.479 -6.434 -6.405 175 HA ALA 23 HA ALA 23 -4.663 -8.807 -7.426 176 1HB ALA 23 1HB ALA 23 -3.103 -8.503 -9.294 177 2HB ALA 23 2HB ALA 23 -2.739 -9.951 -8.353 178 3HB ALA 23 3HB ALA 23 -1.755 -8.500 -8.154 179 H GLU 24 H GLU 24 -3.394 -10.795 -6.529 180 HA GLU 24 HA GLU 24 -2.460 -10.089 -3.835 181 1HB GLU 24 1HB GLU 24 -4.146 -11.837 -3.865 182 2HB GLU 24 2HB GLU 24 -3.206 -12.772 -5.024 183 1HG GLU 24 1HG GLU 24 -1.411 -12.975 -3.320 184 2HG GLU 24 2HG GLU 24 -2.466 -12.168 -2.167 185 H ILE 25 H ILE 25 -0.390 -10.261 -3.249 186 HA ILE 25 HA ILE 25 1.491 -11.206 -5.278 187 HB ILE 25 HB ILE 25 3.212 -10.173 -3.665 188 1HG1 ILE 25 1HG1 ILE 25 0.668 -8.887 -2.642 189 2HG1 ILE 25 2HG1 ILE 25 1.771 -9.903 -1.720 190 1HG2 ILE 25 1HG2 ILE 25 2.658 -9.249 -5.830 191 2HG2 ILE 25 2HG2 ILE 25 2.861 -7.954 -4.648 192 3HG2 ILE 25 3HG2 ILE 25 1.243 -8.446 -5.152 193 1HD1 ILE 25 1HD1 ILE 25 2.064 -7.560 -1.174 194 2HD1 ILE 25 2HD1 ILE 25 2.409 -7.195 -2.865 195 3HD1 ILE 25 3HD1 ILE 25 3.512 -8.211 -1.938 196 H ILE 26 H ILE 26 1.987 -13.243 -5.168 197 HA ILE 26 HA ILE 26 2.304 -14.513 -2.546 198 HB ILE 26 HB ILE 26 2.172 -16.675 -3.620 199 1HG1 ILE 26 1HG1 ILE 26 3.204 -15.881 -5.831 200 2HG1 ILE 26 2HG1 ILE 26 1.874 -17.023 -5.961 201 1HG2 ILE 26 1HG2 ILE 26 -0.175 -16.566 -4.410 202 2HG2 ILE 26 2HG2 ILE 26 -0.052 -14.810 -4.514 203 3HG2 ILE 26 3HG2 ILE 26 0.078 -15.613 -2.948 204 1HD1 ILE 26 1HD1 ILE 26 1.710 -15.287 -7.638 205 2HD1 ILE 26 2HD1 ILE 26 1.700 -14.051 -6.380 206 3HD1 ILE 26 3HD1 ILE 26 0.360 -15.191 -6.506 207 H GLU 27 H GLU 27 4.049 -13.517 -5.383 208 HA GLU 27 HA GLU 27 6.460 -14.468 -4.004 209 1HB GLU 27 1HB GLU 27 6.097 -15.649 -6.174 210 2HB GLU 27 2HB GLU 27 6.233 -14.096 -6.991 211 1HG GLU 27 1HG GLU 27 8.495 -13.833 -6.231 212 2HG GLU 27 2HG GLU 27 8.374 -15.289 -5.248 213 H VAL 28 H VAL 28 7.062 -12.786 -2.937 214 HA VAL 28 HA VAL 28 7.243 -10.168 -4.269 215 HB VAL 28 HB VAL 28 7.126 -10.721 -1.297 216 1HG1 VAL 28 1HG1 VAL 28 6.875 -8.155 -2.856 217 2HG1 VAL 28 2HG1 VAL 28 8.246 -8.643 -1.860 218 3HG1 VAL 28 3HG1 VAL 28 6.682 -8.320 -1.110 219 1HG2 VAL 28 1HG2 VAL 28 5.027 -11.368 -2.337 220 2HG2 VAL 28 2HG2 VAL 28 4.924 -9.800 -3.136 221 3HG2 VAL 28 3HG2 VAL 28 4.824 -9.903 -1.378 222 H ARG 29 H ARG 29 9.308 -10.138 -5.041 223 HA ARG 29 HA ARG 29 11.457 -11.218 -3.384 224 1HB ARG 29 1HB ARG 29 11.113 -11.693 -5.906 225 2HB ARG 29 2HB ARG 29 11.784 -10.085 -6.148 226 1HG ARG 29 1HG ARG 29 13.557 -11.332 -4.407 227 2HG ARG 29 2HG ARG 29 13.126 -12.575 -5.582 228 1HD ARG 29 1HD ARG 29 15.044 -11.377 -6.391 229 2HD ARG 29 2HD ARG 29 13.652 -10.965 -7.394 230 HE ARG 29 HE ARG 29 14.179 -9.159 -5.188 231 1HH1 ARG 29 1HH1 ARG 29 14.633 -9.843 -8.590 232 2HH1 ARG 29 2HH1 ARG 29 15.066 -8.212 -8.994 233 1HH2 ARG 29 1HH2 ARG 29 14.719 -7.007 -5.709 234 2HH2 ARG 29 2HH2 ARG 29 15.092 -6.586 -7.358 235 H SER 30 H SER 30 9.946 -8.481 -3.227 236 HA SER 30 HA SER 30 12.377 -6.926 -2.746 237 1HB SER 30 1HB SER 30 11.532 -6.186 -4.922 238 2HB SER 30 2HB SER 30 9.940 -5.899 -4.222 239 HG SER 30 HG SER 30 12.362 -4.539 -3.632 240 H ALA 31 H ALA 31 12.394 -6.052 -0.799 241 HA ALA 31 HA ALA 31 9.998 -6.233 0.844 242 1HB ALA 31 1HB ALA 31 12.126 -7.046 1.744 243 2HB ALA 31 2HB ALA 31 11.482 -5.719 2.712 244 3HB ALA 31 3HB ALA 31 12.810 -5.427 1.588 245 H ASP 32 H ASP 32 11.797 -3.903 -0.901 246 HA ASP 32 HA ASP 32 10.753 -1.621 0.562 247 1HB ASP 32 1HB ASP 32 13.026 -1.512 -0.373 248 2HB ASP 32 2HB ASP 32 12.382 -1.765 -1.990 249 H GLY 33 H GLY 33 10.077 -3.462 -2.299 250 1HA GLY 33 1HA GLY 33 7.850 -3.483 -3.198 251 2HA GLY 33 2HA GLY 33 7.691 -1.795 -2.731 252 H SER 34 H SER 34 9.514 -3.944 -4.864 253 HA SER 34 HA SER 34 9.395 -1.917 -6.958 254 1HB SER 34 1HB SER 34 11.584 -1.759 -5.633 255 2HB SER 34 2HB SER 34 11.981 -3.338 -6.307 256 HG SER 34 HG SER 34 12.020 -0.858 -7.473 257 HA PRO 35 HA PRO 35 8.277 -5.614 -9.233 258 1HB PRO 35 1HB PRO 35 8.502 -4.453 -11.721 259 2HB PRO 35 2HB PRO 35 7.075 -4.332 -10.690 260 1HG PRO 35 1HG PRO 35 9.292 -2.378 -11.102 261 2HG PRO 35 2HG PRO 35 7.552 -2.083 -10.929 262 1HD PRO 35 1HD PRO 35 9.279 -1.667 -8.906 263 2HD PRO 35 2HD PRO 35 7.625 -2.249 -8.627 264 HA PRO 36 HA PRO 36 8.153 -6.581 -11.498 265 1HB PRO 36 1HB PRO 36 9.109 -9.221 -12.054 266 2HB PRO 36 2HB PRO 36 8.736 -7.935 -13.202 267 1HG PRO 36 1HG PRO 36 11.269 -8.926 -12.711 268 2HG PRO 36 2HG PRO 36 10.919 -7.340 -13.418 269 1HD PRO 36 1HD PRO 36 11.642 -8.046 -10.605 270 2HD PRO 36 2HD PRO 36 12.122 -6.637 -11.576 271 H TYR 37 H TYR 37 6.538 -7.991 -10.808 272 HA TYR 37 HA TYR 37 7.111 -9.497 -8.342 273 1HB TYR 37 1HB TYR 37 4.814 -7.705 -9.059 274 2HB TYR 37 2HB TYR 37 4.569 -9.033 -7.933 275 HD1 TYR 37 HD1 TYR 37 5.490 -8.973 -5.722 276 HD2 TYR 37 HD2 TYR 37 6.247 -5.805 -8.456 277 HE1 TYR 37 HE1 TYR 37 6.298 -7.576 -3.870 278 HE2 TYR 37 HE2 TYR 37 7.064 -4.399 -6.608 279 HH TYR 37 HH TYR 37 7.653 -5.681 -3.457 280 H VAL 38 H VAL 38 6.134 -11.530 -8.126 281 HA VAL 38 HA VAL 38 4.775 -12.484 -10.554 282 HB VAL 38 HB VAL 38 5.855 -14.066 -8.209 283 1HG1 VAL 38 1HG1 VAL 38 5.304 -16.053 -9.543 284 2HG1 VAL 38 2HG1 VAL 38 4.546 -15.023 -10.758 285 3HG1 VAL 38 3HG1 VAL 38 3.861 -15.125 -9.135 286 1HG2 VAL 38 1HG2 VAL 38 7.471 -14.918 -9.844 287 2HG2 VAL 38 2HG2 VAL 38 7.597 -13.168 -9.660 288 3HG2 VAL 38 3HG2 VAL 38 6.787 -13.850 -11.071 289 H VAL 39 H VAL 39 2.678 -12.252 -10.532 290 HA VAL 39 HA VAL 39 1.429 -11.829 -7.908 291 HB VAL 39 HB VAL 39 1.849 -9.991 -9.926 292 1HG1 VAL 39 1HG1 VAL 39 0.106 -10.930 -11.313 293 2HG1 VAL 39 2HG1 VAL 39 -0.371 -9.339 -10.719 294 3HG1 VAL 39 3HG1 VAL 39 -1.050 -10.793 -9.989 295 1HG2 VAL 39 1HG2 VAL 39 0.456 -8.515 -8.561 296 2HG2 VAL 39 2HG2 VAL 39 1.554 -9.492 -7.586 297 3HG2 VAL 39 3HG2 VAL 39 -0.154 -9.919 -7.685 298 H ARG 40 H ARG 40 -0.830 -12.234 -7.757 299 HA ARG 40 HA ARG 40 -1.814 -14.247 -9.663 300 1HB ARG 40 1HB ARG 40 -0.868 -15.235 -7.567 301 2HB ARG 40 2HB ARG 40 -2.067 -14.338 -6.651 302 1HG ARG 40 1HG ARG 40 -3.849 -15.588 -7.682 303 2HG ARG 40 2HG ARG 40 -2.695 -16.423 -8.728 304 1HD ARG 40 1HD ARG 40 -1.575 -17.294 -6.684 305 2HD ARG 40 2HD ARG 40 -2.867 -16.579 -5.723 306 HE ARG 40 HE ARG 40 -4.380 -18.074 -7.115 307 1HH1 ARG 40 1HH1 ARG 40 -1.065 -18.882 -6.361 308 2HH1 ARG 40 2HH1 ARG 40 -1.329 -20.592 -6.401 309 1HH2 ARG 40 1HH2 ARG 40 -4.752 -20.312 -7.167 310 2HH2 ARG 40 2HH2 ARG 40 -3.445 -21.416 -6.854 311 H TRP 41 H TRP 41 -3.596 -13.430 -10.574 312 HA TRP 41 HA TRP 41 -5.261 -11.483 -9.268 313 1HB TRP 41 1HB TRP 41 -6.276 -13.109 -11.558 314 2HB TRP 41 2HB TRP 41 -6.496 -11.402 -11.224 315 HD1 TRP 41 HD1 TRP 41 -4.883 -13.568 -13.599 316 HE1 TRP 41 HE1 TRP 41 -3.035 -12.354 -14.913 317 HE3 TRP 41 HE3 TRP 41 -4.302 -9.482 -10.583 318 HZ2 TRP 41 HZ2 TRP 41 -1.530 -9.980 -14.692 319 HZ3 TRP 41 HZ3 TRP 41 -2.637 -7.785 -11.210 320 HH2 TRP 41 HH2 TRP 41 -1.279 -8.031 -13.220 321 H LEU 42 H LEU 42 -6.804 -11.978 -7.766 322 HA LEU 42 HA LEU 42 -7.363 -14.813 -7.361 323 1HB LEU 42 1HB LEU 42 -8.277 -12.458 -5.714 324 2HB LEU 42 2HB LEU 42 -8.397 -14.150 -5.270 325 HG LEU 42 HG LEU 42 -5.968 -12.400 -5.374 326 1HD1 LEU 42 1HD1 LEU 42 -7.092 -14.288 -3.315 327 2HD1 LEU 42 2HD1 LEU 42 -7.207 -12.528 -3.295 328 3HD1 LEU 42 3HD1 LEU 42 -5.635 -13.311 -3.133 329 1HD2 LEU 42 1HD2 LEU 42 -5.375 -14.387 -6.645 330 2HD2 LEU 42 2HD2 LEU 42 -5.970 -15.414 -5.341 331 3HD2 LEU 42 3HD2 LEU 42 -4.568 -14.379 -5.078 332 H VAL 43 H VAL 43 -9.137 -11.810 -7.976 333 HA VAL 43 HA VAL 43 -11.579 -13.348 -8.349 334 HB VAL 43 HB VAL 43 -12.349 -10.834 -8.974 335 1HG1 VAL 43 1HG1 VAL 43 -13.362 -12.289 -7.299 336 2HG1 VAL 43 2HG1 VAL 43 -13.117 -10.665 -6.655 337 3HG1 VAL 43 3HG1 VAL 43 -12.021 -11.969 -6.198 338 1HG2 VAL 43 1HG2 VAL 43 -11.258 -9.285 -7.425 339 2HG2 VAL 43 2HG2 VAL 43 -10.124 -9.891 -8.632 340 3HG2 VAL 43 3HG2 VAL 43 -10.095 -10.539 -6.992 341 H ASN 44 H ASN 44 -8.997 -12.331 -10.227 342 HA ASN 44 HA ASN 44 -10.575 -12.580 -12.680 343 1HB ASN 44 1HB ASN 44 -7.664 -11.940 -12.201 344 2HB ASN 44 2HB ASN 44 -8.294 -12.305 -13.802 345 1HD2 ASN 44 1HD2 ASN 44 -8.271 -10.015 -11.169 346 2HD2 ASN 44 2HD2 ASN 44 -8.971 -8.708 -12.063 347 H GLY 45 H GLY 45 -8.015 -14.219 -10.869 348 1HA GLY 45 1HA GLY 45 -7.916 -16.516 -10.502 349 2HA GLY 45 2HA GLY 45 -9.084 -16.753 -11.788 350 H HIS 46 H HIS 46 -5.728 -15.535 -11.439 351 HA HIS 46 HA HIS 46 -4.634 -17.628 -12.997 352 1HB HIS 46 1HB HIS 46 -5.829 -16.232 -14.760 353 2HB HIS 46 2HB HIS 46 -4.640 -14.976 -14.445 354 HD1 HIS 46 HD1 HIS 46 -4.656 -18.660 -15.398 355 HD2 HIS 46 HD2 HIS 46 -2.476 -15.181 -16.064 356 HE1 HIS 46 HE1 HIS 46 -2.892 -19.277 -17.079 357 HE2 HIS 46 HE2 HIS 46 -1.758 -17.102 -17.647 358 H GLU 47 H GLU 47 -2.351 -17.474 -13.188 359 HA GLU 47 HA GLU 47 -1.161 -15.408 -11.442 360 1HB GLU 47 1HB GLU 47 -0.131 -18.189 -12.048 361 2HB GLU 47 2HB GLU 47 0.608 -17.028 -10.953 362 1HG GLU 47 1HG GLU 47 -1.309 -17.148 -9.484 363 2HG GLU 47 2HG GLU 47 -2.121 -18.244 -10.601 364 H THR 48 H THR 48 0.734 -14.368 -12.124 365 HA THR 48 HA THR 48 2.226 -15.158 -14.390 366 HB THR 48 HB THR 48 0.262 -14.416 -15.641 367 HG1 THR 48 HG1 THR 48 1.352 -13.039 -17.054 368 1HG2 THR 48 1HG2 THR 48 -0.639 -12.785 -14.067 369 2HG2 THR 48 2HG2 THR 48 -0.417 -12.061 -15.660 370 3HG2 THR 48 3HG2 THR 48 0.737 -11.724 -14.369 371 H THR 49 H THR 49 3.528 -13.179 -15.204 372 HA THR 49 HA THR 49 4.551 -11.808 -12.797 373 HB THR 49 HB THR 49 6.047 -12.410 -15.361 374 HG1 THR 49 HG1 THR 49 5.453 -14.292 -14.032 375 1HG2 THR 49 1HG2 THR 49 7.017 -11.446 -12.664 376 2HG2 THR 49 2HG2 THR 49 6.916 -10.475 -14.134 377 3HG2 THR 49 3HG2 THR 49 8.037 -11.834 -14.048 378 H VAL 50 H VAL 50 4.055 -9.710 -12.718 379 HA VAL 50 HA VAL 50 3.794 -8.238 -15.255 380 HB VAL 50 HB VAL 50 1.961 -6.912 -14.254 381 1HG1 VAL 50 1HG1 VAL 50 1.451 -9.880 -14.390 382 2HG1 VAL 50 2HG1 VAL 50 1.433 -8.752 -15.745 383 3HG1 VAL 50 3HG1 VAL 50 0.217 -8.623 -14.474 384 1HG2 VAL 50 1HG2 VAL 50 2.463 -7.263 -11.899 385 2HG2 VAL 50 2HG2 VAL 50 2.067 -8.976 -12.054 386 3HG2 VAL 50 3HG2 VAL 50 0.809 -7.757 -12.259 387 H TYR 51 H TYR 51 3.706 -5.815 -14.828 388 HA TYR 51 HA TYR 51 5.658 -5.095 -12.742 389 1HB TYR 51 1HB TYR 51 5.310 -3.799 -15.460 390 2HB TYR 51 2HB TYR 51 6.469 -3.316 -14.229 391 HD1 TYR 51 HD1 TYR 51 5.579 -6.003 -16.609 392 HD2 TYR 51 HD2 TYR 51 8.563 -4.432 -14.015 393 HE1 TYR 51 HE1 TYR 51 7.227 -7.540 -17.587 394 HE2 TYR 51 HE2 TYR 51 10.220 -5.970 -14.986 395 HH TYR 51 HH TYR 51 10.417 -7.933 -16.235 396 HA PRO 52 HA PRO 52 1.877 -2.842 -11.548 397 1HB PRO 52 1HB PRO 52 2.809 -2.257 -9.049 398 2HB PRO 52 2HB PRO 52 2.037 -3.789 -9.469 399 1HG PRO 52 1HG PRO 52 4.948 -3.133 -9.237 400 2HG PRO 52 2HG PRO 52 4.072 -4.562 -8.657 401 1HD PRO 52 1HD PRO 52 5.526 -4.607 -10.916 402 2HD PRO 52 2HD PRO 52 4.022 -5.537 -10.752 403 H GLY 53 H GLY 53 5.229 -1.810 -10.956 404 1HA GLY 53 1HA GLY 53 5.996 0.281 -11.930 405 2HA GLY 53 2HA GLY 53 4.401 0.945 -11.594 406 H SER 54 H SER 54 5.579 2.671 -10.527 407 HA SER 54 HA SER 54 6.779 1.987 -7.957 408 1HB SER 54 1HB SER 54 6.470 4.699 -9.269 409 2HB SER 54 2HB SER 54 7.478 4.313 -7.874 410 HG SER 54 HG SER 54 7.784 3.402 -10.548 411 H ASP 55 H ASP 55 6.144 3.459 -6.074 412 HA ASP 55 HA ASP 55 4.611 4.250 -4.589 413 1HB ASP 55 1HB ASP 55 3.011 4.825 -7.091 414 2HB ASP 55 2HB ASP 55 2.505 5.302 -5.477 415 H ALA 56 H ALA 56 4.688 1.463 -5.309 416 HA ALA 56 HA ALA 56 1.991 0.514 -5.456 417 1HB ALA 56 1HB ALA 56 4.516 -1.026 -4.864 418 2HB ALA 56 2HB ALA 56 3.835 -0.748 -6.466 419 3HB ALA 56 3HB ALA 56 2.949 -1.716 -5.289 420 H VAL 57 H VAL 57 0.643 0.564 -3.844 421 HA VAL 57 HA VAL 57 1.594 0.560 -1.069 422 HB VAL 57 HB VAL 57 -1.208 1.145 -2.044 423 1HG1 VAL 57 1HG1 VAL 57 -1.427 2.343 0.083 424 2HG1 VAL 57 2HG1 VAL 57 0.216 1.867 0.514 425 3HG1 VAL 57 3HG1 VAL 57 -1.038 0.641 0.330 426 1HG2 VAL 57 1HG2 VAL 57 0.300 2.697 -3.142 427 2HG2 VAL 57 2HG2 VAL 57 1.033 3.108 -1.592 428 3HG2 VAL 57 3HG2 VAL 57 -0.650 3.527 -1.910 429 H VAL 58 H VAL 58 0.211 -0.707 0.503 430 HA VAL 58 HA VAL 58 -0.455 -3.305 -0.714 431 HB VAL 58 HB VAL 58 0.285 -2.870 2.174 432 1HG1 VAL 58 1HG1 VAL 58 0.859 -5.247 2.091 433 2HG1 VAL 58 2HG1 VAL 58 0.367 -5.305 0.399 434 3HG1 VAL 58 3HG1 VAL 58 -0.827 -4.971 1.653 435 1HG2 VAL 58 1HG2 VAL 58 2.151 -3.533 -0.099 436 2HG2 VAL 58 2HG2 VAL 58 2.569 -3.548 1.615 437 3HG2 VAL 58 3HG2 VAL 58 2.131 -2.031 0.827 438 H VAL 59 H VAL 59 -2.238 -4.465 0.047 439 HA VAL 59 HA VAL 59 -3.985 -3.361 2.088 440 HB VAL 59 HB VAL 59 -4.799 -2.263 0.029 441 1HG1 VAL 59 1HG1 VAL 59 -4.109 -3.882 -1.614 442 2HG1 VAL 59 2HG1 VAL 59 -5.836 -3.557 -1.755 443 3HG1 VAL 59 3HG1 VAL 59 -5.279 -5.041 -0.984 444 1HG2 VAL 59 1HG2 VAL 59 -6.695 -4.327 1.093 445 2HG2 VAL 59 2HG2 VAL 59 -7.150 -2.894 0.172 446 3HG2 VAL 59 3HG2 VAL 59 -6.406 -2.721 1.761 447 H THR 60 H THR 60 -5.892 -4.973 2.356 448 HA THR 60 HA THR 60 -4.796 -7.675 2.271 449 HB THR 60 HB THR 60 -6.633 -8.259 3.744 450 HG1 THR 60 HG1 THR 60 -8.424 -7.122 3.747 451 1HG2 THR 60 1HG2 THR 60 -4.692 -7.161 4.750 452 2HG2 THR 60 2HG2 THR 60 -6.169 -6.729 5.610 453 3HG2 THR 60 3HG2 THR 60 -5.439 -5.586 4.485 454 H ALA 61 H ALA 61 -6.482 -9.408 1.788 455 HA ALA 61 HA ALA 61 -6.750 -9.443 -0.948 456 1HB ALA 61 1HB ALA 61 -6.675 -11.429 0.483 457 2HB ALA 61 2HB ALA 61 -8.003 -11.487 -0.677 458 3HB ALA 61 3HB ALA 61 -8.324 -11.096 1.013 459 H THR 62 H THR 62 -9.508 -9.134 1.335 460 HA THR 62 HA THR 62 -11.290 -9.212 -0.892 461 HB THR 62 HB THR 62 -12.990 -8.733 0.985 462 HG1 THR 62 HG1 THR 62 -11.878 -9.659 3.016 463 1HG2 THR 62 1HG2 THR 62 -12.951 -11.105 1.637 464 2HG2 THR 62 2HG2 THR 62 -11.334 -11.254 0.947 465 3HG2 THR 62 3HG2 THR 62 -12.708 -10.900 -0.099 466 H GLU 63 H GLU 63 -9.982 -6.613 1.066 467 HA GLU 63 HA GLU 63 -12.026 -4.736 0.725 468 1HB GLU 63 1HB GLU 63 -9.055 -4.255 0.972 469 2HB GLU 63 2HB GLU 63 -10.284 -3.006 1.104 470 1HG GLU 63 1HG GLU 63 -11.247 -4.402 3.007 471 2HG GLU 63 2HG GLU 63 -9.716 -5.278 2.971 472 H HIS 64 H HIS 64 -8.954 -4.853 -1.084 473 HA HIS 64 HA HIS 64 -10.110 -3.211 -3.131 474 1HB HIS 64 1HB HIS 64 -7.400 -4.147 -2.482 475 2HB HIS 64 2HB HIS 64 -7.728 -3.895 -4.195 476 HD1 HIS 64 HD1 HIS 64 -6.641 -2.106 -1.280 477 HD2 HIS 64 HD2 HIS 64 -8.926 -1.171 -4.620 478 HE1 HIS 64 HE1 HIS 64 -6.601 0.399 -1.441 479 HE2 HIS 64 HE2 HIS 64 -8.161 0.952 -3.344 480 H ALA 65 H ALA 65 -10.147 -6.574 -2.682 481 HA ALA 65 HA ALA 65 -9.331 -7.772 -4.974 482 1HB ALA 65 1HB ALA 65 -11.810 -8.510 -3.435 483 2HB ALA 65 2HB ALA 65 -10.160 -8.953 -2.995 484 3HB ALA 65 3HB ALA 65 -10.869 -9.567 -4.487 485 H GLU 66 H GLU 66 -12.551 -6.342 -4.495 486 HA GLU 66 HA GLU 66 -13.651 -7.160 -6.960 487 1HB GLU 66 1HB GLU 66 -14.267 -4.571 -5.520 488 2HB GLU 66 2HB GLU 66 -15.345 -5.501 -6.554 489 1HG GLU 66 1HG GLU 66 -14.251 -6.478 -3.916 490 2HG GLU 66 2HG GLU 66 -15.836 -5.735 -4.127 491 H ALA 67 H ALA 67 -12.080 -4.162 -6.029 492 HA ALA 67 HA ALA 67 -11.866 -3.014 -8.584 493 1HB ALA 67 1HB ALA 67 -11.629 -1.718 -6.526 494 2HB ALA 67 2HB ALA 67 -10.217 -1.532 -7.566 495 3HB ALA 67 3HB ALA 67 -10.138 -2.582 -6.151 496 H GLU 68 H GLU 68 -10.185 -5.633 -7.098 497 HA GLU 68 HA GLU 68 -7.828 -5.478 -8.719 498 1HB GLU 68 1HB GLU 68 -7.791 -6.791 -6.640 499 2HB GLU 68 2HB GLU 68 -9.016 -7.871 -7.289 500 1HG GLU 68 1HG GLU 68 -6.834 -7.739 -9.123 501 2HG GLU 68 2HG GLU 68 -6.209 -8.064 -7.510 502 H LYS 69 H LYS 69 -10.944 -7.169 -8.942 503 HA LYS 69 HA LYS 69 -10.449 -8.570 -11.288 504 1HB LYS 69 1HB LYS 69 -12.576 -8.498 -9.803 505 2HB LYS 69 2HB LYS 69 -13.061 -7.148 -10.820 506 1HG LYS 69 1HG LYS 69 -13.063 -8.537 -12.773 507 2HG LYS 69 2HG LYS 69 -12.370 -9.887 -11.870 508 1HD LYS 69 1HD LYS 69 -14.393 -9.934 -10.452 509 2HD LYS 69 2HD LYS 69 -15.083 -8.639 -11.429 510 1HE LYS 69 1HE LYS 69 -15.984 -10.747 -12.153 511 2HE LYS 69 2HE LYS 69 -14.934 -10.102 -13.412 512 1HZ LYS 69 1HZ LYS 69 -14.181 -12.209 -11.449 513 2HZ LYS 69 2HZ LYS 69 -13.190 -11.607 -12.686 514 3HZ LYS 69 3HZ LYS 69 -14.587 -12.475 -13.073 515 H ARG 70 H ARG 70 -11.672 -5.248 -10.861 516 HA ARG 70 HA ARG 70 -11.609 -4.567 -13.630 517 1HB ARG 70 1HB ARG 70 -11.335 -2.766 -11.225 518 2HB ARG 70 2HB ARG 70 -11.608 -2.206 -12.866 519 1HG ARG 70 1HG ARG 70 -13.736 -3.504 -12.875 520 2HG ARG 70 2HG ARG 70 -13.470 -3.832 -11.160 521 1HD ARG 70 1HD ARG 70 -13.412 -1.418 -10.722 522 2HD ARG 70 2HD ARG 70 -13.713 -1.109 -12.431 523 HE ARG 70 HE ARG 70 -15.652 -2.643 -10.830 524 1HH1 ARG 70 1HH1 ARG 70 -14.839 0.149 -12.781 525 2HH1 ARG 70 2HH1 ARG 70 -16.479 0.698 -12.917 526 1HH2 ARG 70 1HH2 ARG 70 -17.819 -1.917 -10.996 527 2HH2 ARG 70 2HH2 ARG 70 -18.169 -0.464 -11.885 528 H ALA 71 H ALA 71 -9.308 -3.502 -11.126 529 HA ALA 71 HA ALA 71 -7.661 -2.193 -13.032 530 1HB ALA 71 1HB ALA 71 -7.937 -1.379 -10.749 531 2HB ALA 71 2HB ALA 71 -6.242 -1.621 -11.170 532 3HB ALA 71 3HB ALA 71 -7.072 -2.793 -10.146 533 H ALA 72 H ALA 72 -7.654 -5.444 -11.858 534 HA ALA 72 HA ALA 72 -4.906 -5.907 -12.628 535 1HB ALA 72 1HB ALA 72 -7.081 -7.912 -12.050 536 2HB ALA 72 2HB ALA 72 -5.910 -7.296 -10.884 537 3HB ALA 72 3HB ALA 72 -5.364 -8.265 -12.252 538 H ALA 73 H ALA 73 -8.159 -6.375 -14.011 539 HA ALA 73 HA ALA 73 -7.409 -7.464 -16.459 540 1HB ALA 73 1HB ALA 73 -9.464 -5.302 -15.994 541 2HB ALA 73 2HB ALA 73 -9.741 -7.037 -15.843 542 3HB ALA 73 3HB ALA 73 -9.355 -6.338 -17.417 543 H ARG 74 H ARG 74 -7.093 -4.145 -15.266 544 HA ARG 74 HA ARG 74 -5.854 -3.190 -17.686 545 1HB ARG 74 1HB ARG 74 -6.925 -1.840 -15.698 546 2HB ARG 74 2HB ARG 74 -5.293 -1.910 -15.042 547 1HG ARG 74 1HG ARG 74 -4.604 -1.052 -17.404 548 2HG ARG 74 2HG ARG 74 -6.287 -0.540 -17.500 549 1HD ARG 74 1HD ARG 74 -5.225 1.340 -16.658 550 2HD ARG 74 2HD ARG 74 -5.833 0.556 -15.199 551 HE ARG 74 HE ARG 74 -3.631 -0.124 -14.668 552 1HH1 ARG 74 1HH1 ARG 74 -3.818 1.935 -17.496 553 2HH1 ARG 74 2HH1 ARG 74 -2.126 2.324 -17.495 554 1HH2 ARG 74 1HH2 ARG 74 -1.388 0.333 -14.693 555 2HH2 ARG 74 2HH2 ARG 74 -0.721 1.372 -15.922 556 H ALA 75 H ALA 75 -4.501 -3.961 -14.475 557 HA ALA 75 HA ALA 75 -1.816 -3.481 -14.895 558 1HB ALA 75 1HB ALA 75 -2.992 -5.687 -13.209 559 2HB ALA 75 2HB ALA 75 -2.820 -4.000 -12.725 560 3HB ALA 75 3HB ALA 75 -1.386 -4.977 -13.042 561 H GLY 76 H GLY 76 -3.497 -6.607 -15.406 562 1HA GLY 76 1HA GLY 76 -1.040 -7.858 -16.270 563 2HA GLY 76 2HA GLY 76 -2.626 -8.604 -16.211 564 H HIS 77 H HIS 77 -2.863 -5.713 -17.824 565 HA HIS 77 HA HIS 77 -2.909 -7.082 -20.401 566 1HB HIS 77 1HB HIS 77 -4.863 -5.736 -19.790 567 2HB HIS 77 2HB HIS 77 -3.845 -4.315 -19.590 568 HD1 HIS 77 HD1 HIS 77 -4.190 -2.768 -21.474 569 HD2 HIS 77 HD2 HIS 77 -4.380 -6.745 -22.692 570 HE1 HIS 77 HE1 HIS 77 -4.544 -2.704 -23.963 571 HE2 HIS 77 HE2 HIS 77 -4.641 -5.116 -24.686 572 H ALA 78 H ALA 78 -0.935 -4.989 -18.564 573 HA ALA 78 HA ALA 78 0.960 -4.708 -20.724 574 1HB ALA 78 1HB ALA 78 -0.308 -2.241 -19.531 575 2HB ALA 78 2HB ALA 78 -0.556 -2.838 -21.172 576 3HB ALA 78 3HB ALA 78 1.037 -2.268 -20.672 577 H ALA 79 H ALA 79 2.406 -2.562 -19.540 578 HA ALA 79 HA ALA 79 2.948 -3.412 -16.794 579 1HB ALA 79 1HB ALA 79 5.077 -3.207 -18.925 580 2HB ALA 79 2HB ALA 79 4.487 -4.700 -18.196 581 3HB ALA 79 3HB ALA 79 5.355 -3.522 -17.213 582 H THR 80 H THR 80 1.896 -1.058 -18.460 583 HA THR 80 HA THR 80 3.389 1.027 -17.095 584 HB THR 80 HB THR 80 3.329 2.339 -19.345 585 HG1 THR 80 HG1 THR 80 2.148 0.583 -20.418 586 1HG2 THR 80 1HG2 THR 80 5.397 1.705 -18.210 587 2HG2 THR 80 2HG2 THR 80 5.555 1.492 -19.953 588 3HG2 THR 80 3HG2 THR 80 5.301 0.091 -18.912 Start of MODEL 25 1 H MET 1 H MET 1 5.949 2.169 -2.410 2 HA MET 1 HA MET 1 5.884 1.809 -0.004 3 1HB MET 1 1HB MET 1 4.030 0.107 -0.065 4 2HB MET 1 2HB MET 1 3.852 1.436 -1.196 5 1HG MET 1 1HG MET 1 3.194 -0.523 -2.327 6 2HG MET 1 2HG MET 1 4.768 -0.071 -2.974 7 1HE MET 1 1HE MET 1 4.845 -2.526 -4.077 8 2HE MET 1 2HE MET 1 3.310 -2.951 -3.319 9 3HE MET 1 3HE MET 1 4.707 -4.012 -3.140 10 H HIS 2 H HIS 2 5.135 -0.606 1.129 11 HA HIS 2 HA HIS 2 7.468 -2.374 0.920 12 1HB HIS 2 1HB HIS 2 7.474 -0.562 2.879 13 2HB HIS 2 2HB HIS 2 6.395 -1.721 3.640 14 HD1 HIS 2 HD1 HIS 2 7.441 -4.134 4.141 15 HD2 HIS 2 HD2 HIS 2 10.135 -1.175 2.991 16 HE1 HIS 2 HE1 HIS 2 9.718 -5.004 4.763 17 HE2 HIS 2 HE2 HIS 2 11.341 -3.293 3.859 18 H ALA 3 H ALA 3 6.729 -4.458 0.731 19 HA ALA 3 HA ALA 3 4.086 -5.098 1.827 20 1HB ALA 3 1HB ALA 3 4.859 -5.607 -1.039 21 2HB ALA 3 2HB ALA 3 3.742 -4.361 -0.484 22 3HB ALA 3 3HB ALA 3 3.342 -6.065 -0.268 23 H LYS 4 H LYS 4 3.567 -7.464 1.484 24 HA LYS 4 HA LYS 4 5.932 -9.181 1.597 25 1HB LYS 4 1HB LYS 4 5.318 -8.469 3.919 26 2HB LYS 4 2HB LYS 4 3.734 -9.190 3.683 27 1HG LYS 4 1HG LYS 4 4.790 -11.386 3.398 28 2HG LYS 4 2HG LYS 4 6.369 -10.649 3.673 29 1HD LYS 4 1HD LYS 4 4.078 -10.692 5.637 30 2HD LYS 4 2HD LYS 4 5.500 -11.736 5.692 31 1HE LYS 4 1HE LYS 4 6.919 -9.719 5.908 32 2HE LYS 4 2HE LYS 4 5.458 -8.730 5.956 33 1HZ LYS 4 1HZ LYS 4 6.229 -10.827 7.917 34 2HZ LYS 4 2HZ LYS 4 4.768 -9.966 7.946 35 3HZ LYS 4 3HZ LYS 4 6.235 -9.149 8.184 36 H VAL 5 H VAL 5 5.268 -11.533 1.458 37 HA VAL 5 HA VAL 5 3.192 -11.952 -0.466 38 HB VAL 5 HB VAL 5 5.140 -13.406 -0.466 39 1HG1 VAL 5 1HG1 VAL 5 5.567 -15.015 1.338 40 2HG1 VAL 5 2HG1 VAL 5 4.272 -14.281 2.285 41 3HG1 VAL 5 3HG1 VAL 5 5.714 -13.346 1.889 42 1HG2 VAL 5 1HG2 VAL 5 2.683 -14.935 0.369 43 2HG2 VAL 5 2HG2 VAL 5 4.078 -15.610 -0.470 44 3HG2 VAL 5 3HG2 VAL 5 3.075 -14.399 -1.266 45 H GLY 6 H GLY 6 1.176 -12.947 -0.180 46 1HA GLY 6 1HA GLY 6 -0.666 -13.729 1.092 47 2HA GLY 6 2HA GLY 6 0.203 -13.310 2.569 48 H ASP 7 H ASP 7 0.336 -11.084 0.065 49 HA ASP 7 HA ASP 7 -1.785 -9.289 1.187 50 1HB ASP 7 1HB ASP 7 1.173 -8.635 0.912 51 2HB ASP 7 2HB ASP 7 -0.088 -7.418 1.068 52 H TYR 8 H TYR 8 -1.467 -7.195 -0.219 53 HA TYR 8 HA TYR 8 -1.584 -8.128 -3.024 54 1HB TYR 8 1HB TYR 8 -3.691 -6.555 -1.508 55 2HB TYR 8 2HB TYR 8 -3.692 -6.769 -3.245 56 HD1 TYR 8 HD1 TYR 8 -4.605 -8.688 -4.231 57 HD2 TYR 8 HD2 TYR 8 -4.126 -8.522 -0.010 58 HE1 TYR 8 HE1 TYR 8 -6.071 -10.651 -4.004 59 HE2 TYR 8 HE2 TYR 8 -5.579 -10.501 0.220 60 HH TYR 8 HH TYR 8 -6.280 -12.547 -2.154 61 H LEU 9 H LEU 9 -2.131 -6.144 -4.439 62 HA LEU 9 HA LEU 9 -0.400 -3.916 -3.645 63 1HB LEU 9 1HB LEU 9 1.037 -5.637 -4.623 64 2HB LEU 9 2HB LEU 9 -0.008 -5.758 -6.017 65 HG LEU 9 HG LEU 9 1.400 -3.169 -5.433 66 1HD1 LEU 9 1HD1 LEU 9 2.545 -5.552 -6.882 67 2HD1 LEU 9 2HD1 LEU 9 3.117 -4.897 -5.349 68 3HD1 LEU 9 3HD1 LEU 9 3.258 -3.941 -6.824 69 1HD2 LEU 9 1HD2 LEU 9 1.292 -2.966 -7.874 70 2HD2 LEU 9 2HD2 LEU 9 -0.312 -3.192 -7.177 71 3HD2 LEU 9 3HD2 LEU 9 0.501 -4.541 -7.970 72 H VAL 10 H VAL 10 -0.771 -2.038 -4.762 73 HA VAL 10 HA VAL 10 -2.845 -2.005 -6.835 74 HB VAL 10 HB VAL 10 -2.906 -0.262 -4.341 75 1HG1 VAL 10 1HG1 VAL 10 -4.824 -0.285 -6.667 76 2HG1 VAL 10 2HG1 VAL 10 -3.655 0.987 -6.310 77 3HG1 VAL 10 3HG1 VAL 10 -4.985 0.672 -5.194 78 1HG2 VAL 10 1HG2 VAL 10 -4.800 -2.403 -5.283 79 2HG2 VAL 10 2HG2 VAL 10 -5.063 -1.345 -3.897 80 3HG2 VAL 10 3HG2 VAL 10 -3.721 -2.491 -3.890 81 H VAL 11 H VAL 11 -2.945 0.292 -7.773 82 HA VAL 11 HA VAL 11 -0.429 1.785 -7.532 83 HB VAL 11 HB VAL 11 -1.687 0.717 -10.063 84 1HG1 VAL 11 1HG1 VAL 11 -0.278 2.234 -11.374 85 2HG1 VAL 11 2HG1 VAL 11 0.222 3.048 -9.891 86 3HG1 VAL 11 3HG1 VAL 11 -1.462 3.118 -10.410 87 1HG2 VAL 11 1HG2 VAL 11 0.621 0.081 -10.579 88 2HG2 VAL 11 2HG2 VAL 11 0.087 -0.597 -9.042 89 3HG2 VAL 11 3HG2 VAL 11 1.158 0.803 -9.062 90 H LYS 12 H LYS 12 -0.791 3.963 -7.470 91 HA LYS 12 HA LYS 12 -1.863 5.955 -7.332 92 1HB LYS 12 1HB LYS 12 -3.829 4.617 -9.191 93 2HB LYS 12 2HB LYS 12 -4.000 6.280 -8.652 94 1HG LYS 12 1HG LYS 12 -1.998 6.928 -9.757 95 2HG LYS 12 2HG LYS 12 -1.574 5.249 -10.098 96 1HD LYS 12 1HD LYS 12 -2.457 6.327 -12.091 97 2HD LYS 12 2HD LYS 12 -3.546 5.054 -11.547 98 1HE LYS 12 1HE LYS 12 -4.852 6.966 -12.194 99 2HE LYS 12 2HE LYS 12 -4.938 6.786 -10.444 100 1HZ LYS 12 1HZ LYS 12 -4.559 9.108 -11.377 101 2HZ LYS 12 2HZ LYS 12 -2.972 8.609 -11.699 102 3HZ LYS 12 3HZ LYS 12 -3.559 8.612 -10.105 103 H GLY 13 H GLY 13 -3.830 7.000 -6.439 104 1HA GLY 13 1HA GLY 13 -6.009 6.621 -5.369 105 2HA GLY 13 2HA GLY 13 -5.341 5.136 -4.712 106 H THR 14 H THR 14 -3.130 7.723 -4.744 107 HA THR 14 HA THR 14 -3.331 7.817 -1.835 108 HB THR 14 HB THR 14 -1.117 7.364 -2.769 109 HG1 THR 14 HG1 THR 14 -0.285 9.675 -1.828 110 1HG2 THR 14 1HG2 THR 14 -1.304 10.112 -4.004 111 2HG2 THR 14 2HG2 THR 14 -1.300 8.578 -4.876 112 3HG2 THR 14 3HG2 THR 14 0.132 9.089 -3.981 113 H THR 15 H THR 15 -3.439 9.995 -4.633 114 HA THR 15 HA THR 15 -4.198 12.203 -2.874 115 HB THR 15 HB THR 15 -4.197 13.506 -5.077 116 HG1 THR 15 HG1 THR 15 -2.676 12.291 -6.609 117 1HG2 THR 15 1HG2 THR 15 -2.380 13.659 -3.453 118 2HG2 THR 15 2HG2 THR 15 -1.752 13.706 -5.099 119 3HG2 THR 15 3HG2 THR 15 -1.621 12.227 -4.147 120 H THR 16 H THR 16 -6.074 10.514 -2.562 121 HA THR 16 HA THR 16 -8.221 9.853 -2.830 122 HB THR 16 HB THR 16 -9.857 11.653 -3.440 123 HG1 THR 16 HG1 THR 16 -7.871 12.748 -4.661 124 1HG2 THR 16 1HG2 THR 16 -9.130 11.320 -1.132 125 2HG2 THR 16 2HG2 THR 16 -9.409 13.030 -1.467 126 3HG2 THR 16 3HG2 THR 16 -7.763 12.401 -1.402 127 H GLU 17 H GLU 17 -6.891 8.718 -4.748 128 HA GLU 17 HA GLU 17 -8.232 9.284 -7.305 129 1HB GLU 17 1HB GLU 17 -5.839 7.506 -6.848 130 2HB GLU 17 2HB GLU 17 -6.426 8.134 -8.380 131 1HG GLU 17 1HG GLU 17 -5.632 10.285 -7.927 132 2HG GLU 17 2HG GLU 17 -5.429 9.938 -6.208 133 H ARG 18 H ARG 18 -8.515 7.242 -8.662 134 HA ARG 18 HA ARG 18 -9.924 5.181 -7.233 135 1HB ARG 18 1HB ARG 18 -9.041 5.434 -10.119 136 2HB ARG 18 2HB ARG 18 -10.016 4.105 -9.509 137 1HG ARG 18 1HG ARG 18 -11.848 5.527 -9.068 138 2HG ARG 18 2HG ARG 18 -10.864 6.977 -9.282 139 1HD ARG 18 1HD ARG 18 -11.471 4.979 -11.454 140 2HD ARG 18 2HD ARG 18 -12.348 6.489 -11.209 141 HE ARG 18 HE ARG 18 -9.454 6.613 -11.612 142 1HH1 ARG 18 1HH1 ARG 18 -12.674 7.096 -12.905 143 2HH1 ARG 18 2HH1 ARG 18 -12.153 8.213 -14.131 144 1HH2 ARG 18 1HH2 ARG 18 -8.750 8.038 -13.243 145 2HH2 ARG 18 2HH2 ARG 18 -9.913 8.752 -14.323 146 H HIS 19 H HIS 19 -9.146 3.238 -6.563 147 HA HIS 19 HA HIS 19 -6.283 2.817 -6.738 148 1HB HIS 19 1HB HIS 19 -8.480 1.329 -5.298 149 2HB HIS 19 2HB HIS 19 -6.811 0.776 -5.320 150 HD1 HIS 19 HD1 HIS 19 -5.040 2.376 -4.147 151 HD2 HIS 19 HD2 HIS 19 -9.030 3.308 -3.458 152 HE1 HIS 19 HE1 HIS 19 -5.039 3.891 -2.143 153 HE2 HIS 19 HE2 HIS 19 -7.444 4.601 -1.867 154 H ASP 20 H ASP 20 -5.626 2.113 -8.675 155 HA ASP 20 HA ASP 20 -7.158 -0.060 -9.951 156 1HB ASP 20 1HB ASP 20 -7.027 2.258 -11.076 157 2HB ASP 20 2HB ASP 20 -5.344 1.863 -11.405 158 H GLN 21 H GLN 21 -5.481 -1.080 -11.744 159 HA GLN 21 HA GLN 21 -4.095 -2.889 -11.772 160 1HB GLN 21 1HB GLN 21 -2.200 -0.736 -10.821 161 2HB GLN 21 2HB GLN 21 -1.711 -2.265 -11.548 162 1HG GLN 21 1HG GLN 21 -3.019 -1.648 -13.575 163 2HG GLN 21 2HG GLN 21 -3.314 -0.071 -12.853 164 1HE2 GLN 21 1HE2 GLN 21 -0.610 -0.015 -11.678 165 2HE2 GLN 21 2HE2 GLN 21 0.451 0.351 -12.991 166 H HIS 22 H HIS 22 -4.659 -4.478 -10.354 167 HA HIS 22 HA HIS 22 -3.532 -4.376 -7.648 168 1HB HIS 22 1HB HIS 22 -5.825 -3.398 -7.592 169 2HB HIS 22 2HB HIS 22 -6.456 -4.916 -8.206 170 HD1 HIS 22 HD1 HIS 22 -7.121 -3.485 -5.412 171 HD2 HIS 22 HD2 HIS 22 -4.690 -6.803 -5.998 172 HE1 HIS 22 HE1 HIS 22 -7.143 -4.734 -3.232 173 HE2 HIS 22 HE2 HIS 22 -5.784 -6.811 -3.664 174 H ALA 23 H ALA 23 -2.796 -6.177 -6.981 175 HA ALA 23 HA ALA 23 -3.532 -8.802 -8.098 176 1HB ALA 23 1HB ALA 23 -1.615 -7.986 -9.404 177 2HB ALA 23 2HB ALA 23 -1.183 -9.367 -8.397 178 3HB ALA 23 3HB ALA 23 -0.707 -7.741 -7.914 179 H GLU 24 H GLU 24 -2.117 -10.477 -6.867 180 HA GLU 24 HA GLU 24 -1.683 -9.621 -4.074 181 1HB GLU 24 1HB GLU 24 -3.799 -10.879 -4.073 182 2HB GLU 24 2HB GLU 24 -3.015 -12.212 -4.919 183 1HG GLU 24 1HG GLU 24 -1.397 -12.273 -2.929 184 2HG GLU 24 2HG GLU 24 -2.578 -11.265 -2.102 185 H ILE 25 H ILE 25 0.100 -10.205 -3.288 186 HA ILE 25 HA ILE 25 2.040 -11.381 -5.058 187 HB ILE 25 HB ILE 25 2.630 -10.417 -2.278 188 1HG1 ILE 25 1HG1 ILE 25 2.269 -8.636 -4.706 189 2HG1 ILE 25 2HG1 ILE 25 1.156 -8.713 -3.344 190 1HG2 ILE 25 1HG2 ILE 25 4.403 -11.439 -3.587 191 2HG2 ILE 25 2HG2 ILE 25 4.720 -9.722 -3.335 192 3HG2 ILE 25 3HG2 ILE 25 4.115 -10.289 -4.893 193 1HD1 ILE 25 1HD1 ILE 25 4.027 -7.814 -3.238 194 2HD1 ILE 25 2HD1 ILE 25 2.923 -7.901 -1.865 195 3HD1 ILE 25 3HD1 ILE 25 2.601 -6.775 -3.184 196 H ILE 26 H ILE 26 2.019 -13.499 -5.106 197 HA ILE 26 HA ILE 26 2.042 -15.004 -2.588 198 HB ILE 26 HB ILE 26 1.804 -16.999 -4.249 199 1HG1 ILE 26 1HG1 ILE 26 0.235 -16.138 -6.178 200 2HG1 ILE 26 2HG1 ILE 26 1.113 -14.631 -5.958 201 1HG2 ILE 26 1HG2 ILE 26 -0.637 -16.801 -4.150 202 2HG2 ILE 26 2HG2 ILE 26 -0.468 -15.109 -3.682 203 3HG2 ILE 26 3HG2 ILE 26 0.132 -16.381 -2.618 204 1HD1 ILE 26 1HD1 ILE 26 2.309 -17.299 -6.670 205 2HD1 ILE 26 2HD1 ILE 26 3.211 -15.803 -6.420 206 3HD1 ILE 26 3HD1 ILE 26 2.066 -15.929 -7.756 207 H GLU 27 H GLU 27 3.975 -13.850 -5.079 208 HA GLU 27 HA GLU 27 6.246 -15.314 -3.970 209 1HB GLU 27 1HB GLU 27 5.313 -16.122 -6.340 210 2HB GLU 27 2HB GLU 27 6.235 -14.739 -6.903 211 1HG GLU 27 1HG GLU 27 7.333 -17.055 -5.328 212 2HG GLU 27 2HG GLU 27 7.503 -16.815 -7.063 213 H VAL 28 H VAL 28 8.105 -14.042 -3.839 214 HA VAL 28 HA VAL 28 7.708 -11.183 -4.380 215 HB VAL 28 HB VAL 28 8.527 -12.173 -1.653 216 1HG1 VAL 28 1HG1 VAL 28 8.001 -9.885 -0.971 217 2HG1 VAL 28 2HG1 VAL 28 7.565 -9.490 -2.635 218 3HG1 VAL 28 3HG1 VAL 28 9.228 -9.923 -2.235 219 1HG2 VAL 28 1HG2 VAL 28 6.268 -11.631 -0.866 220 2HG2 VAL 28 2HG2 VAL 28 6.255 -12.946 -2.041 221 3HG2 VAL 28 3HG2 VAL 28 5.770 -11.324 -2.528 222 H ARG 29 H ARG 29 9.537 -10.766 -5.547 223 HA ARG 29 HA ARG 29 11.909 -12.311 -5.270 224 1HB ARG 29 1HB ARG 29 11.287 -9.809 -6.820 225 2HB ARG 29 2HB ARG 29 12.882 -10.547 -6.829 226 1HG ARG 29 1HG ARG 29 10.327 -11.874 -7.719 227 2HG ARG 29 2HG ARG 29 11.564 -11.197 -8.778 228 1HD ARG 29 1HD ARG 29 12.018 -13.495 -8.748 229 2HD ARG 29 2HD ARG 29 13.181 -12.807 -7.616 230 HE ARG 29 HE ARG 29 10.662 -14.095 -6.739 231 1HH1 ARG 29 1HH1 ARG 29 14.140 -13.650 -6.461 232 2HH1 ARG 29 2HH1 ARG 29 14.282 -14.648 -5.051 233 1HH2 ARG 29 1HH2 ARG 29 10.842 -15.403 -4.900 234 2HH2 ARG 29 2HH2 ARG 29 12.409 -15.681 -4.176 235 H SER 30 H SER 30 10.771 -9.486 -3.720 236 HA SER 30 HA SER 30 13.115 -9.502 -2.032 237 1HB SER 30 1HB SER 30 12.264 -6.996 -3.508 238 2HB SER 30 2HB SER 30 13.462 -7.053 -2.213 239 HG SER 30 HG SER 30 14.007 -8.888 -4.132 240 H ALA 31 H ALA 31 12.335 -9.586 -0.053 241 HA ALA 31 HA ALA 31 9.572 -9.119 0.479 242 1HB ALA 31 1HB ALA 31 11.800 -9.728 2.415 243 2HB ALA 31 2HB ALA 31 10.839 -10.924 1.548 244 3HB ALA 31 3HB ALA 31 10.070 -9.866 2.733 245 H ASP 32 H ASP 32 12.061 -6.980 0.230 246 HA ASP 32 HA ASP 32 11.099 -5.188 2.323 247 1HB ASP 32 1HB ASP 32 13.560 -5.459 1.814 248 2HB ASP 32 2HB ASP 32 13.261 -4.655 0.277 249 H GLY 33 H GLY 33 10.422 -5.923 -0.880 250 1HA GLY 33 1HA GLY 33 8.578 -4.939 -2.020 251 2HA GLY 33 2HA GLY 33 8.871 -3.443 -1.144 252 H SER 34 H SER 34 10.362 -5.583 -3.548 253 HA SER 34 HA SER 34 11.196 -3.203 -5.036 254 1HB SER 34 1HB SER 34 12.979 -5.608 -4.573 255 2HB SER 34 2HB SER 34 13.396 -4.142 -5.461 256 HG SER 34 HG SER 34 12.560 -3.389 -3.073 257 HA PRO 35 HA PRO 35 9.182 -5.599 -8.233 258 1HB PRO 35 1HB PRO 35 10.240 -3.549 -10.052 259 2HB PRO 35 2HB PRO 35 8.565 -3.956 -9.677 260 1HG PRO 35 1HG PRO 35 9.691 -1.663 -8.838 261 2HG PRO 35 2HG PRO 35 8.480 -2.526 -7.872 262 1HD PRO 35 1HD PRO 35 11.464 -2.488 -7.575 263 2HD PRO 35 2HD PRO 35 10.208 -2.396 -6.322 264 HA PRO 36 HA PRO 36 8.734 -6.252 -10.370 265 1HB PRO 36 1HB PRO 36 9.149 -8.940 -11.291 266 2HB PRO 36 2HB PRO 36 8.837 -7.490 -12.248 267 1HG PRO 36 1HG PRO 36 11.205 -8.859 -12.296 268 2HG PRO 36 2HG PRO 36 11.059 -7.128 -12.651 269 1HD PRO 36 1HD PRO 36 11.894 -8.476 -10.109 270 2HD PRO 36 2HD PRO 36 12.598 -7.057 -10.917 271 H TYR 37 H TYR 37 7.215 -8.267 -10.254 272 HA TYR 37 HA TYR 37 7.620 -9.734 -7.728 273 1HB TYR 37 1HB TYR 37 5.097 -8.234 -8.495 274 2HB TYR 37 2HB TYR 37 5.259 -9.296 -7.104 275 HD1 TYR 37 HD1 TYR 37 5.768 -5.971 -8.402 276 HD2 TYR 37 HD2 TYR 37 6.794 -8.618 -5.226 277 HE1 TYR 37 HE1 TYR 37 6.466 -4.049 -7.034 278 HE2 TYR 37 HE2 TYR 37 7.496 -6.703 -3.853 279 HH TYR 37 HH TYR 37 6.779 -3.481 -4.673 280 H VAL 38 H VAL 38 5.779 -11.411 -7.526 281 HA VAL 38 HA VAL 38 5.027 -12.462 -10.164 282 HB VAL 38 HB VAL 38 6.294 -14.158 -7.987 283 1HG1 VAL 38 1HG1 VAL 38 5.404 -14.857 -10.788 284 2HG1 VAL 38 2HG1 VAL 38 4.623 -15.358 -9.287 285 3HG1 VAL 38 3HG1 VAL 38 6.241 -15.943 -9.678 286 1HG2 VAL 38 1HG2 VAL 38 8.185 -14.448 -9.524 287 2HG2 VAL 38 2HG2 VAL 38 7.986 -12.761 -9.049 288 3HG2 VAL 38 3HG2 VAL 38 7.450 -13.299 -10.641 289 H VAL 39 H VAL 39 2.941 -13.112 -10.105 290 HA VAL 39 HA VAL 39 1.669 -12.570 -7.531 291 HB VAL 39 HB VAL 39 2.390 -10.610 -9.343 292 1HG1 VAL 39 1HG1 VAL 39 0.678 -11.198 -10.933 293 2HG1 VAL 39 2HG1 VAL 39 0.302 -9.642 -10.197 294 3HG1 VAL 39 3HG1 VAL 39 -0.564 -11.090 -9.686 295 1HG2 VAL 39 1HG2 VAL 39 1.068 -9.114 -7.934 296 2HG2 VAL 39 2HG2 VAL 39 2.017 -10.273 -7.002 297 3HG2 VAL 39 3HG2 VAL 39 0.283 -10.516 -7.209 298 H ARG 40 H ARG 40 -0.800 -12.439 -7.916 299 HA ARG 40 HA ARG 40 -1.649 -14.065 -10.192 300 1HB ARG 40 1HB ARG 40 -2.209 -14.585 -7.280 301 2HB ARG 40 2HB ARG 40 -3.318 -15.133 -8.524 302 1HG ARG 40 1HG ARG 40 -1.760 -16.615 -9.430 303 2HG ARG 40 2HG ARG 40 -0.412 -15.841 -8.594 304 1HD ARG 40 1HD ARG 40 -1.246 -18.088 -7.694 305 2HD ARG 40 2HD ARG 40 -0.994 -16.782 -6.540 306 HE ARG 40 HE ARG 40 -3.422 -16.469 -6.527 307 1HH1 ARG 40 1HH1 ARG 40 -2.248 -19.449 -7.938 308 2HH1 ARG 40 2HH1 ARG 40 -3.631 -20.377 -7.434 309 1HH2 ARG 40 1HH2 ARG 40 -5.245 -17.683 -5.857 310 2HH2 ARG 40 2HH2 ARG 40 -5.326 -19.377 -6.243 311 H TRP 41 H TRP 41 -3.467 -13.310 -11.136 312 HA TRP 41 HA TRP 41 -4.914 -11.105 -9.902 313 1HB TRP 41 1HB TRP 41 -5.719 -12.580 -12.414 314 2HB TRP 41 2HB TRP 41 -6.202 -10.972 -11.913 315 HD1 TRP 41 HD1 TRP 41 -4.461 -12.312 -14.567 316 HE1 TRP 41 HE1 TRP 41 -2.569 -10.826 -15.460 317 HE3 TRP 41 HE3 TRP 41 -3.833 -9.272 -10.504 318 HZ2 TRP 41 HZ2 TRP 41 -1.012 -8.671 -14.567 319 HZ3 TRP 41 HZ3 TRP 41 -2.112 -7.521 -10.619 320 HH2 TRP 41 HH2 TRP 41 -0.733 -7.228 -12.607 321 H LEU 42 H LEU 42 -5.757 -12.156 -8.057 322 HA LEU 42 HA LEU 42 -6.553 -14.865 -8.083 323 1HB LEU 42 1HB LEU 42 -7.753 -12.970 -6.126 324 2HB LEU 42 2HB LEU 42 -7.232 -14.624 -5.891 325 HG LEU 42 HG LEU 42 -5.505 -12.172 -6.068 326 1HD1 LEU 42 1HD1 LEU 42 -6.652 -12.553 -3.974 327 2HD1 LEU 42 2HD1 LEU 42 -4.919 -12.836 -3.807 328 3HD1 LEU 42 3HD1 LEU 42 -6.031 -14.203 -3.919 329 1HD2 LEU 42 1HD2 LEU 42 -4.678 -15.065 -5.882 330 2HD2 LEU 42 2HD2 LEU 42 -3.609 -13.673 -5.694 331 3HD2 LEU 42 3HD2 LEU 42 -4.390 -13.983 -7.245 332 H VAL 43 H VAL 43 -8.670 -12.100 -7.479 333 HA VAL 43 HA VAL 43 -11.041 -13.566 -7.712 334 HB VAL 43 HB VAL 43 -11.993 -11.139 -8.098 335 1HG1 VAL 43 1HG1 VAL 43 -12.252 -12.442 -6.051 336 2HG1 VAL 43 2HG1 VAL 43 -11.860 -10.765 -5.668 337 3HG1 VAL 43 3HG1 VAL 43 -10.615 -12.009 -5.560 338 1HG2 VAL 43 1HG2 VAL 43 -9.838 -10.106 -8.640 339 2HG2 VAL 43 2HG2 VAL 43 -9.211 -10.600 -7.068 340 3HG2 VAL 43 3HG2 VAL 43 -10.517 -9.420 -7.162 341 H ASN 44 H ASN 44 -9.192 -11.729 -10.046 342 HA ASN 44 HA ASN 44 -10.930 -11.906 -12.229 343 1HB ASN 44 1HB ASN 44 -7.910 -11.870 -12.150 344 2HB ASN 44 2HB ASN 44 -8.861 -11.701 -13.624 345 1HD2 ASN 44 1HD2 ASN 44 -7.892 -10.198 -10.646 346 2HD2 ASN 44 2HD2 ASN 44 -8.456 -8.610 -11.034 347 H GLY 45 H GLY 45 -8.425 -14.145 -11.101 348 1HA GLY 45 1HA GLY 45 -8.806 -16.518 -11.190 349 2HA GLY 45 2HA GLY 45 -9.741 -16.274 -12.658 350 H HIS 46 H HIS 46 -6.526 -14.949 -11.877 351 HA HIS 46 HA HIS 46 -5.357 -16.733 -13.893 352 1HB HIS 46 1HB HIS 46 -5.141 -13.719 -13.954 353 2HB HIS 46 2HB HIS 46 -4.120 -14.796 -14.898 354 HD1 HIS 46 HD1 HIS 46 -7.355 -13.097 -14.940 355 HD2 HIS 46 HD2 HIS 46 -5.597 -16.320 -16.885 356 HE1 HIS 46 HE1 HIS 46 -8.803 -13.548 -16.942 357 HE2 HIS 46 HE2 HIS 46 -7.641 -15.403 -18.186 358 H GLU 47 H GLU 47 -2.912 -16.388 -14.010 359 HA GLU 47 HA GLU 47 -1.728 -15.568 -11.451 360 1HB GLU 47 1HB GLU 47 -1.235 -18.234 -12.812 361 2HB GLU 47 2HB GLU 47 -0.267 -17.601 -11.487 362 1HG GLU 47 1HG GLU 47 -2.307 -17.565 -10.083 363 2HG GLU 47 2HG GLU 47 -3.182 -18.330 -11.401 364 H THR 48 H THR 48 0.228 -14.530 -11.712 365 HA THR 48 HA THR 48 1.035 -14.096 -14.505 366 HB THR 48 HB THR 48 0.567 -11.659 -12.911 367 HG1 THR 48 HG1 THR 48 -1.722 -12.812 -14.054 368 1HG2 THR 48 1HG2 THR 48 -0.387 -10.864 -15.027 369 2HG2 THR 48 2HG2 THR 48 -0.210 -12.479 -15.713 370 3HG2 THR 48 3HG2 THR 48 1.221 -11.549 -15.266 371 H THR 49 H THR 49 2.731 -12.310 -14.595 372 HA THR 49 HA THR 49 4.296 -11.896 -12.153 373 HB THR 49 HB THR 49 5.512 -12.484 -14.875 374 HG1 THR 49 HG1 THR 49 4.833 -14.112 -12.778 375 1HG2 THR 49 1HG2 THR 49 7.668 -12.389 -13.701 376 2HG2 THR 49 2HG2 THR 49 6.838 -11.967 -12.203 377 3HG2 THR 49 3HG2 THR 49 6.809 -10.854 -13.571 378 H VAL 50 H VAL 50 4.752 -9.666 -11.944 379 HA VAL 50 HA VAL 50 3.837 -8.039 -14.215 380 HB VAL 50 HB VAL 50 1.888 -8.722 -12.754 381 1HG1 VAL 50 1HG1 VAL 50 1.553 -7.487 -10.664 382 2HG1 VAL 50 2HG1 VAL 50 3.187 -6.839 -10.797 383 3HG1 VAL 50 3HG1 VAL 50 2.942 -8.573 -10.586 384 1HG2 VAL 50 1HG2 VAL 50 0.845 -6.506 -12.804 385 2HG2 VAL 50 2HG2 VAL 50 1.739 -6.843 -14.286 386 3HG2 VAL 50 3HG2 VAL 50 2.427 -5.771 -13.067 387 H TYR 51 H TYR 51 4.020 -5.723 -13.830 388 HA TYR 51 HA TYR 51 5.987 -4.888 -11.824 389 1HB TYR 51 1HB TYR 51 6.196 -3.689 -14.552 390 2HB TYR 51 2HB TYR 51 7.451 -3.958 -13.354 391 HD1 TYR 51 HD1 TYR 51 8.686 -6.054 -13.300 392 HD2 TYR 51 HD2 TYR 51 5.567 -5.434 -16.126 393 HE1 TYR 51 HE1 TYR 51 9.459 -8.008 -14.579 394 HE2 TYR 51 HE2 TYR 51 6.327 -7.389 -17.404 395 HH TYR 51 HH TYR 51 8.658 -9.600 -16.169 396 HA PRO 52 HA PRO 52 2.374 -2.067 -11.768 397 1HB PRO 52 1HB PRO 52 2.858 -1.150 -9.256 398 2HB PRO 52 2HB PRO 52 2.050 -2.688 -9.575 399 1HG PRO 52 1HG PRO 52 4.905 -2.162 -8.846 400 2HG PRO 52 2HG PRO 52 3.810 -3.421 -8.243 401 1HD PRO 52 1HD PRO 52 5.681 -3.902 -10.143 402 2HD PRO 52 2HD PRO 52 4.128 -4.758 -10.091 403 H GLY 53 H GLY 53 2.791 -0.284 -13.015 404 1HA GLY 53 1HA GLY 53 5.171 1.298 -12.724 405 2HA GLY 53 2HA GLY 53 3.809 1.647 -13.779 406 H SER 54 H SER 54 5.032 1.932 -10.497 407 HA SER 54 HA SER 54 4.009 4.470 -9.965 408 1HB SER 54 1HB SER 54 1.791 3.403 -10.071 409 2HB SER 54 2HB SER 54 2.299 2.193 -8.901 410 HG SER 54 HG SER 54 2.302 4.968 -8.302 411 H ASP 55 H ASP 55 3.949 4.756 -7.389 412 HA ASP 55 HA ASP 55 6.282 3.559 -6.254 413 1HB ASP 55 1HB ASP 55 5.443 5.798 -5.554 414 2HB ASP 55 2HB ASP 55 4.040 5.018 -4.831 415 H ALA 56 H ALA 56 3.034 2.648 -6.634 416 HA ALA 56 HA ALA 56 2.113 0.598 -6.423 417 1HB ALA 56 1HB ALA 56 4.332 -0.428 -6.598 418 2HB ALA 56 2HB ALA 56 3.296 -1.297 -5.464 419 3HB ALA 56 3HB ALA 56 4.563 -0.228 -4.860 420 H VAL 57 H VAL 57 1.054 -0.724 -4.679 421 HA VAL 57 HA VAL 57 0.824 0.739 -2.144 422 HB VAL 57 HB VAL 57 -1.604 -0.047 -3.787 423 1HG1 VAL 57 1HG1 VAL 57 -2.040 0.012 -1.405 424 2HG1 VAL 57 2HG1 VAL 57 -2.842 1.367 -2.204 425 3HG1 VAL 57 3HG1 VAL 57 -1.351 1.632 -1.297 426 1HG2 VAL 57 1HG2 VAL 57 -1.950 2.345 -4.209 427 2HG2 VAL 57 2HG2 VAL 57 -0.461 1.751 -4.942 428 3HG2 VAL 57 3HG2 VAL 57 -0.395 2.694 -3.454 429 H VAL 58 H VAL 58 -0.669 -0.585 -0.631 430 HA VAL 58 HA VAL 58 -0.381 -3.473 -1.099 431 HB VAL 58 HB VAL 58 0.392 -2.120 1.497 432 1HG1 VAL 58 1HG1 VAL 58 1.288 -4.325 2.091 433 2HG1 VAL 58 2HG1 VAL 58 0.675 -4.976 0.571 434 3HG1 VAL 58 3HG1 VAL 58 -0.448 -4.372 1.789 435 1HG2 VAL 58 1HG2 VAL 58 2.707 -2.668 0.970 436 2HG2 VAL 58 2HG2 VAL 58 2.025 -1.574 -0.233 437 3HG2 VAL 58 3HG2 VAL 58 2.211 -3.288 -0.606 438 H VAL 59 H VAL 59 -2.159 -4.539 -0.537 439 HA VAL 59 HA VAL 59 -4.103 -3.314 1.252 440 HB VAL 59 HB VAL 59 -5.697 -4.370 -0.606 441 1HG1 VAL 59 1HG1 VAL 59 -4.521 -1.603 -0.748 442 2HG1 VAL 59 2HG1 VAL 59 -5.847 -2.100 0.303 443 3HG1 VAL 59 3HG1 VAL 59 -6.062 -2.103 -1.448 444 1HG2 VAL 59 1HG2 VAL 59 -4.887 -3.752 -2.833 445 2HG2 VAL 59 2HG2 VAL 59 -3.916 -5.020 -2.085 446 3HG2 VAL 59 3HG2 VAL 59 -3.322 -3.361 -2.126 447 H THR 60 H THR 60 -6.001 -4.946 1.419 448 HA THR 60 HA THR 60 -4.834 -7.619 1.916 449 HB THR 60 HB THR 60 -6.506 -7.666 3.841 450 HG1 THR 60 HG1 THR 60 -7.777 -6.011 4.121 451 1HG2 THR 60 1HG2 THR 60 -4.126 -7.249 4.210 452 2HG2 THR 60 2HG2 THR 60 -5.116 -6.305 5.324 453 3HG2 THR 60 3HG2 THR 60 -4.381 -5.527 3.923 454 H ALA 61 H ALA 61 -7.176 -8.884 2.716 455 HA ALA 61 HA ALA 61 -8.065 -9.905 0.316 456 1HB ALA 61 1HB ALA 61 -8.105 -11.114 2.434 457 2HB ALA 61 2HB ALA 61 -9.666 -11.172 1.616 458 3HB ALA 61 3HB ALA 61 -9.431 -10.091 2.988 459 H THR 62 H THR 62 -9.830 -7.582 2.431 460 HA THR 62 HA THR 62 -12.263 -7.748 1.040 461 HB THR 62 HB THR 62 -12.353 -5.206 1.844 462 HG1 THR 62 HG1 THR 62 -10.646 -4.736 2.966 463 1HG2 THR 62 1HG2 THR 62 -13.348 -6.035 3.917 464 2HG2 THR 62 2HG2 THR 62 -12.646 -7.625 3.605 465 3HG2 THR 62 3HG2 THR 62 -13.868 -6.971 2.514 466 H GLU 63 H GLU 63 -9.704 -5.347 0.754 467 HA GLU 63 HA GLU 63 -10.835 -3.782 -1.253 468 1HB GLU 63 1HB GLU 63 -7.876 -4.200 -1.222 469 2HB GLU 63 2HB GLU 63 -8.783 -2.707 -1.378 470 1HG GLU 63 1HG GLU 63 -8.325 -4.272 1.156 471 2HG GLU 63 2HG GLU 63 -7.577 -2.746 0.708 472 H HIS 64 H HIS 64 -9.127 -6.763 -1.334 473 HA HIS 64 HA HIS 64 -8.214 -6.823 -3.942 474 1HB HIS 64 1HB HIS 64 -7.287 -8.652 -3.132 475 2HB HIS 64 2HB HIS 64 -8.295 -8.526 -1.706 476 HD1 HIS 64 HD1 HIS 64 -10.359 -10.084 -1.572 477 HD2 HIS 64 HD2 HIS 64 -7.943 -10.706 -4.894 478 HE1 HIS 64 HE1 HIS 64 -10.980 -12.356 -2.438 479 HE2 HIS 64 HE2 HIS 64 -9.359 -12.795 -4.309 480 H ALA 65 H ALA 65 -11.493 -7.647 -2.793 481 HA ALA 65 HA ALA 65 -12.143 -9.347 -4.931 482 1HB ALA 65 1HB ALA 65 -13.435 -9.205 -2.855 483 2HB ALA 65 2HB ALA 65 -14.459 -8.979 -4.274 484 3HB ALA 65 3HB ALA 65 -13.973 -7.587 -3.304 485 H GLU 66 H GLU 66 -13.592 -6.230 -4.443 486 HA GLU 66 HA GLU 66 -14.459 -5.794 -7.060 487 1HB GLU 66 1HB GLU 66 -14.277 -3.272 -6.001 488 2HB GLU 66 2HB GLU 66 -15.619 -4.382 -5.755 489 1HG GLU 66 1HG GLU 66 -14.529 -5.182 -3.673 490 2HG GLU 66 2HG GLU 66 -13.256 -3.984 -3.907 491 H ALA 67 H ALA 67 -11.803 -4.208 -5.364 492 HA ALA 67 HA ALA 67 -10.945 -2.616 -7.459 493 1HB ALA 67 1HB ALA 67 -10.302 -2.224 -5.140 494 2HB ALA 67 2HB ALA 67 -8.888 -2.306 -6.191 495 3HB ALA 67 3HB ALA 67 -9.306 -3.680 -5.166 496 H GLU 68 H GLU 68 -9.551 -5.738 -6.366 497 HA GLU 68 HA GLU 68 -7.516 -5.765 -8.277 498 1HB GLU 68 1HB GLU 68 -7.503 -7.215 -6.318 499 2HB GLU 68 2HB GLU 68 -8.849 -8.128 -6.976 500 1HG GLU 68 1HG GLU 68 -7.468 -8.863 -8.829 501 2HG GLU 68 2HG GLU 68 -6.115 -7.915 -8.202 502 H LYS 69 H LYS 69 -10.883 -6.908 -8.541 503 HA LYS 69 HA LYS 69 -10.577 -8.219 -10.995 504 1HB LYS 69 1HB LYS 69 -12.907 -6.653 -9.900 505 2HB LYS 69 2HB LYS 69 -12.979 -7.505 -11.436 506 1HG LYS 69 1HG LYS 69 -12.424 -9.606 -10.251 507 2HG LYS 69 2HG LYS 69 -12.493 -8.722 -8.724 508 1HD LYS 69 1HD LYS 69 -14.589 -9.850 -9.075 509 2HD LYS 69 2HD LYS 69 -14.839 -8.113 -9.241 510 1HE LYS 69 1HE LYS 69 -16.040 -9.296 -10.976 511 2HE LYS 69 2HE LYS 69 -14.731 -8.354 -11.687 512 1HZ LYS 69 1HZ LYS 69 -14.975 -10.654 -12.580 513 2HZ LYS 69 2HZ LYS 69 -14.517 -11.249 -11.059 514 3HZ LYS 69 3HZ LYS 69 -13.435 -10.317 -11.965 515 H ARG 70 H ARG 70 -11.733 -4.832 -10.588 516 HA ARG 70 HA ARG 70 -11.498 -4.182 -13.345 517 1HB ARG 70 1HB ARG 70 -11.196 -2.325 -10.976 518 2HB ARG 70 2HB ARG 70 -11.522 -1.829 -12.629 519 1HG ARG 70 1HG ARG 70 -13.671 -3.011 -12.544 520 2HG ARG 70 2HG ARG 70 -13.342 -3.458 -10.868 521 1HD ARG 70 1HD ARG 70 -13.185 -1.054 -10.305 522 2HD ARG 70 2HD ARG 70 -13.622 -0.664 -11.967 523 HE ARG 70 HE ARG 70 -15.525 -2.379 -10.654 524 1HH1 ARG 70 1HH1 ARG 70 -14.560 0.930 -11.248 525 2HH1 ARG 70 2HH1 ARG 70 -16.123 1.593 -10.890 526 1HH2 ARG 70 1HH2 ARG 70 -17.577 -1.511 -10.152 527 2HH2 ARG 70 2HH2 ARG 70 -17.834 0.202 -10.243 528 H ALA 71 H ALA 71 -9.351 -3.573 -10.692 529 HA ALA 71 HA ALA 71 -7.404 -2.083 -11.950 530 1HB ALA 71 1HB ALA 71 -6.077 -2.533 -9.976 531 2HB ALA 71 2HB ALA 71 -7.158 -3.859 -9.538 532 3HB ALA 71 3HB ALA 71 -7.756 -2.198 -9.552 533 H ALA 72 H ALA 72 -7.460 -5.640 -11.395 534 HA ALA 72 HA ALA 72 -4.845 -6.012 -12.461 535 1HB ALA 72 1HB ALA 72 -5.867 -7.679 -10.997 536 2HB ALA 72 2HB ALA 72 -5.351 -8.380 -12.531 537 3HB ALA 72 3HB ALA 72 -7.058 -8.041 -12.245 538 H ALA 73 H ALA 73 -8.083 -6.035 -13.849 539 HA ALA 73 HA ALA 73 -7.500 -6.950 -16.398 540 1HB ALA 73 1HB ALA 73 -9.366 -4.694 -15.670 541 2HB ALA 73 2HB ALA 73 -9.766 -6.412 -15.654 542 3HB ALA 73 3HB ALA 73 -9.383 -5.610 -17.177 543 H ARG 74 H ARG 74 -6.991 -3.710 -14.999 544 HA ARG 74 HA ARG 74 -5.695 -2.790 -17.429 545 1HB ARG 74 1HB ARG 74 -5.958 -1.621 -14.692 546 2HB ARG 74 2HB ARG 74 -4.922 -0.886 -15.904 547 1HG ARG 74 1HG ARG 74 -7.028 -0.943 -17.399 548 2HG ARG 74 2HG ARG 74 -7.894 -1.154 -15.875 549 1HD ARG 74 1HD ARG 74 -7.813 1.191 -16.409 550 2HD ARG 74 2HD ARG 74 -6.783 0.885 -15.012 551 HE ARG 74 HE ARG 74 -5.878 1.501 -17.746 552 1HH1 ARG 74 1HH1 ARG 74 -5.140 0.993 -14.346 553 2HH1 ARG 74 2HH1 ARG 74 -3.552 1.696 -14.469 554 1HH2 ARG 74 1HH2 ARG 74 -3.766 2.389 -17.899 555 2HH2 ARG 74 2HH2 ARG 74 -2.765 2.477 -16.475 556 H ALA 75 H ALA 75 -4.447 -3.786 -14.233 557 HA ALA 75 HA ALA 75 -1.757 -3.159 -14.434 558 1HB ALA 75 1HB ALA 75 -2.930 -5.667 -13.229 559 2HB ALA 75 2HB ALA 75 -2.802 -4.098 -12.434 560 3HB ALA 75 3HB ALA 75 -1.343 -4.983 -12.880 561 H GLY 76 H GLY 76 -3.289 -6.220 -15.506 562 1HA GLY 76 1HA GLY 76 -0.800 -6.955 -16.874 563 2HA GLY 76 2HA GLY 76 -2.199 -7.991 -16.641 564 H HIS 77 H HIS 77 -2.287 -4.719 -17.869 565 HA HIS 77 HA HIS 77 -2.964 -5.742 -20.550 566 1HB HIS 77 1HB HIS 77 -4.987 -5.020 -19.273 567 2HB HIS 77 2HB HIS 77 -4.284 -3.415 -19.127 568 HD1 HIS 77 HD1 HIS 77 -4.544 -1.842 -21.092 569 HD2 HIS 77 HD2 HIS 77 -5.858 -5.707 -21.892 570 HE1 HIS 77 HE1 HIS 77 -5.790 -1.698 -23.272 571 HE2 HIS 77 HE2 HIS 77 -6.785 -3.994 -23.591 572 H ALA 78 H ALA 78 -1.984 -2.914 -18.638 573 HA ALA 78 HA ALA 78 -0.837 -1.630 -20.978 574 1HB ALA 78 1HB ALA 78 -0.379 0.231 -19.481 575 2HB ALA 78 2HB ALA 78 -0.864 -0.745 -18.095 576 3HB ALA 78 3HB ALA 78 -2.053 -0.300 -19.319 577 H ALA 79 H ALA 79 0.162 -3.976 -18.906 578 HA ALA 79 HA ALA 79 2.822 -3.120 -18.331 579 1HB ALA 79 1HB ALA 79 1.668 -4.746 -16.920 580 2HB ALA 79 2HB ALA 79 3.172 -5.413 -17.559 581 3HB ALA 79 3HB ALA 79 1.624 -5.889 -18.263 582 H THR 80 H THR 80 4.571 -3.236 -19.541 583 HA THR 80 HA THR 80 4.458 -4.794 -22.030 584 HB THR 80 HB THR 80 4.869 -2.483 -22.524 585 HG1 THR 80 HG1 THR 80 6.832 -4.358 -22.945 586 1HG2 THR 80 1HG2 THR 80 5.661 -1.729 -20.341 587 2HG2 THR 80 2HG2 THR 80 6.763 -1.224 -21.623 588 3HG2 THR 80 3HG2 THR 80 7.180 -2.591 -20.588
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