NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11434 | 1ri9 | 5467 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 7 H1 GLU 7 9.405 -4.202 12.221 2 HA GLU 7 HA GLU 7 9.290 -4.383 14.542 3 1HB GLU 7 2HB GLU 7 7.136 -2.842 14.456 4 2HB GLU 7 1HB GLU 7 6.336 -4.400 14.509 5 1HG GLU 7 2HG GLU 7 6.737 -4.566 16.699 6 2HG GLU 7 1HG GLU 7 8.458 -4.382 16.422 7 H LYS 8 H LYS 8 7.381 -6.127 15.588 8 HA LYS 8 HA LYS 8 8.236 -8.550 14.384 9 1HB LYS 8 2HB LYS 8 7.672 -8.374 16.748 10 2HB LYS 8 1HB LYS 8 5.990 -8.122 16.326 11 1HG LYS 8 2HG LYS 8 6.930 -10.464 14.994 12 2HG LYS 8 1HG LYS 8 7.338 -10.581 16.693 13 1HD LYS 8 2HD LYS 8 5.226 -11.352 16.913 14 2HD LYS 8 1HD LYS 8 4.789 -9.657 16.836 15 1HE LYS 8 2HE LYS 8 4.201 -9.798 14.558 16 2HE LYS 8 1HE LYS 8 5.037 -11.324 14.352 17 1HZ LYS 8 1HZ LYS 8 3.416 -12.348 15.771 18 2HZ LYS 8 2HZ LYS 8 2.627 -10.906 15.966 19 3HZ LYS 8 3HZ LYS 8 2.676 -11.628 14.477 20 H GLU 9 H GLU 9 5.791 -6.351 13.625 21 HA GLU 9 HA GLU 9 3.965 -8.158 12.367 22 1HB GLU 9 2HB GLU 9 4.295 -5.253 12.534 23 2HB GLU 9 1HB GLU 9 3.517 -5.831 11.074 24 1HG GLU 9 2HG GLU 9 2.661 -6.677 13.832 25 2HG GLU 9 1HG GLU 9 1.962 -5.306 12.995 26 H GLU 10 H GLU 10 6.931 -6.657 11.441 27 HA GLU 10 HA GLU 10 6.673 -6.901 8.630 28 1HB GLU 10 2HB GLU 10 8.405 -5.522 9.511 29 2HB GLU 10 1HB GLU 10 9.109 -6.870 10.381 30 1HG GLU 10 2HG GLU 10 8.813 -7.190 7.454 31 2HG GLU 10 1HG GLU 10 10.026 -6.050 8.001 32 H LYS 11 H LYS 11 7.573 -9.142 11.139 33 HA LYS 11 HA LYS 11 8.557 -11.161 9.360 34 1HB LYS 11 2HB LYS 11 7.818 -11.098 12.238 35 2HB LYS 11 1HB LYS 11 8.121 -12.632 11.447 36 1HG LYS 11 2HG LYS 11 10.275 -12.227 12.001 37 2HG LYS 11 1HG LYS 11 10.253 -11.186 10.592 38 1HD LYS 11 2HD LYS 11 10.191 -9.266 11.841 39 2HD LYS 11 1HD LYS 11 9.324 -10.026 13.160 40 1HE LYS 11 2HE LYS 11 11.351 -11.172 13.870 41 2HE LYS 11 1HE LYS 11 12.230 -10.502 12.510 42 1HZ LYS 11 1HZ LYS 11 11.835 -8.320 13.392 43 2HZ LYS 11 2HZ LYS 11 11.005 -8.954 14.677 44 3HZ LYS 11 3HZ LYS 11 12.623 -9.259 14.506 45 H ASP 12 H ASP 12 5.452 -10.229 10.576 46 HA ASP 12 HA ASP 12 4.042 -12.612 9.827 47 1HB ASP 12 2HB ASP 12 3.225 -10.776 11.370 48 2HB ASP 12 1HB ASP 12 2.908 -9.837 9.925 49 H PHE 13 H PHE 13 4.615 -9.475 8.298 50 HA PHE 13 HA PHE 13 3.133 -10.027 5.907 51 1HB PHE 13 2HB PHE 13 3.507 -7.789 6.248 52 2HB PHE 13 1HB PHE 13 5.116 -8.054 6.889 53 HD1 PHE 13 HD1 PHE 13 7.022 -8.281 5.398 54 HD2 PHE 13 HD2 PHE 13 3.143 -7.500 3.893 55 HE1 PHE 13 HE1 PHE 13 8.010 -7.626 3.192 56 HE2 PHE 13 HE2 PHE 13 4.130 -6.844 1.688 57 HZ PHE 13 HZ PHE 13 6.552 -6.914 1.363 58 H ARG 14 H ARG 14 6.618 -9.959 6.613 59 HA ARG 14 HA ARG 14 7.476 -10.865 4.079 60 1HB ARG 14 2HB ARG 14 9.206 -10.004 5.337 61 2HB ARG 14 1HB ARG 14 8.697 -10.835 6.793 62 1HG ARG 14 2HG ARG 14 9.592 -12.887 6.071 63 2HG ARG 14 1HG ARG 14 9.704 -12.349 4.407 64 1HD ARG 14 2HD ARG 14 11.360 -11.303 6.703 65 2HD ARG 14 1HD ARG 14 11.919 -12.406 5.462 66 HE ARG 14 HE ARG 14 10.903 -10.193 4.088 67 1HH1 ARG 14 2HH1 ARG 14 13.483 -10.781 6.466 68 2HH1 ARG 14 HH22 ARG 14 14.476 -9.460 5.894 69 1HH2 ARG 14 1HH1 ARG 14 12.189 -8.500 3.364 70 2HH2 ARG 14 2HH1 ARG 14 13.730 -8.157 4.117 71 H LYS 15 H LYS 15 6.197 -12.515 6.840 72 HA LYS 15 HA LYS 15 7.120 -15.110 6.348 73 1HB LYS 15 2HB LYS 15 6.083 -15.055 8.348 74 2HB LYS 15 1HB LYS 15 4.843 -13.946 7.797 75 1HG LYS 15 2HG LYS 15 4.721 -16.567 6.511 76 2HG LYS 15 1HG LYS 15 4.476 -16.626 8.245 77 1HD LYS 15 2HD LYS 15 2.554 -15.344 8.154 78 2HD LYS 15 1HD LYS 15 3.015 -14.576 6.649 79 1HE LYS 15 2HE LYS 15 1.163 -16.141 6.299 80 2HE LYS 15 1HE LYS 15 2.598 -16.672 5.446 81 1HZ LYS 15 1HZ LYS 15 3.052 -18.173 7.245 82 2HZ LYS 15 2HZ LYS 15 1.695 -17.670 8.051 83 3HZ LYS 15 3HZ LYS 15 1.552 -18.472 6.610 84 H LYS 16 H LYS 16 4.029 -13.697 5.329 85 HA LYS 16 HA LYS 16 3.716 -15.833 3.365 86 1HB LYS 16 2HB LYS 16 1.869 -14.768 4.830 87 2HB LYS 16 1HB LYS 16 1.850 -13.530 3.591 88 1HG LYS 16 2HG LYS 16 0.216 -15.105 2.925 89 2HG LYS 16 1HG LYS 16 1.606 -15.422 1.907 90 1HD LYS 16 2HD LYS 16 2.277 -17.251 3.412 91 2HD LYS 16 1HD LYS 16 0.863 -16.945 4.401 92 1HE LYS 16 2HE LYS 16 -0.613 -17.657 2.701 93 2HE LYS 16 1HE LYS 16 0.633 -17.570 1.472 94 1HZ LYS 16 1HZ LYS 16 1.749 -19.386 2.542 95 2HZ LYS 16 2HZ LYS 16 0.571 -19.469 3.703 96 3HZ LYS 16 3HZ LYS 16 0.205 -19.821 2.127 97 H PHE 17 H PHE 17 4.647 -12.506 3.551 98 HA PHE 17 HA PHE 17 4.627 -12.147 0.640 99 1HB PHE 17 2HB PHE 17 5.442 -10.495 3.014 100 2HB PHE 17 1HB PHE 17 5.676 -9.947 1.366 101 HD1 PHE 17 HD1 PHE 17 2.917 -11.465 3.349 102 HD2 PHE 17 HD2 PHE 17 4.112 -8.450 0.628 103 HE1 PHE 17 HE1 PHE 17 0.579 -10.569 3.314 104 HE2 PHE 17 HE2 PHE 17 1.775 -7.554 0.594 105 HZ PHE 17 HZ PHE 17 0.036 -8.622 1.941 106 H LYS 18 H LYS 18 6.304 -14.243 1.884 107 HA LYS 18 HA LYS 18 8.932 -13.754 2.230 108 1HB LYS 18 2HB LYS 18 7.431 -15.966 1.417 109 2HB LYS 18 1HB LYS 18 8.783 -15.857 0.308 110 1HG LYS 18 2HG LYS 18 9.029 -15.809 3.312 111 2HG LYS 18 1HG LYS 18 9.286 -17.228 2.316 112 1HD LYS 18 2HD LYS 18 10.832 -14.663 1.993 113 2HD LYS 18 1HD LYS 18 11.388 -16.016 2.958 114 1HE LYS 18 2HE LYS 18 10.669 -17.127 0.498 115 2HE LYS 18 1HE LYS 18 11.513 -15.644 0.099 116 1HZ LYS 18 1HZ LYS 18 13.317 -16.353 1.489 117 2HZ LYS 18 2HZ LYS 18 12.520 -17.755 1.866 118 3HZ LYS 18 3HZ LYS 18 13.019 -17.479 0.312 119 H TYR 19 H TYR 19 7.338 -12.159 0.057 120 HA TYR 19 HA TYR 19 8.866 -12.269 -2.341 121 1HB TYR 19 2HB TYR 19 6.943 -11.084 -2.615 122 2HB TYR 19 1HB TYR 19 6.961 -10.494 -0.966 123 HD1 TYR 19 HD1 TYR 19 9.134 -10.090 -3.985 124 HD2 TYR 19 HD2 TYR 19 7.016 -8.197 -0.800 125 HE1 TYR 19 HE1 TYR 19 9.924 -7.821 -4.799 126 HE2 TYR 19 HE2 TYR 19 7.811 -5.933 -1.626 127 HH TYR 19 HH TYR 19 8.973 -4.890 -3.111 128 H ASP 20 H ASP 20 10.907 -11.759 -2.695 129 HA ASP 20 HA ASP 20 12.279 -9.956 -0.782 130 1HB ASP 20 2HB ASP 20 13.190 -12.048 -2.697 131 2HB ASP 20 1HB ASP 20 14.294 -10.775 -2.216 132 H GLY 21 H GLY 21 11.758 -7.936 -1.441 133 1HA GLY 21 2HA GLY 21 12.927 -7.102 -4.010 134 2HA GLY 21 1HA GLY 21 11.220 -6.786 -3.773 135 H GLU 22 H GLU 22 12.112 -4.559 -4.159 136 HA GLU 22 HA GLU 22 13.242 -3.419 -1.677 137 1HB GLU 22 2HB GLU 22 14.181 -3.026 -4.105 138 2HB GLU 22 1HB GLU 22 12.939 -1.791 -4.133 139 1HG GLU 22 2HG GLU 22 14.591 -1.853 -1.698 140 2HG GLU 22 1HG GLU 22 15.436 -1.395 -3.162 141 H ILE 23 H ILE 23 11.474 -3.346 -0.379 142 HA ILE 23 HA ILE 23 8.981 -2.254 -1.260 143 HB ILE 23 HB ILE 23 10.048 -3.410 1.121 144 1HG1 ILE 23 2HG1 ILE 23 7.178 -3.062 0.351 145 2HG1 ILE 23 1HG1 ILE 23 8.227 -4.257 -0.384 146 1HG2 ILE 23 1HG2 ILE 23 9.890 -1.184 2.081 147 2HG2 ILE 23 2HG2 ILE 23 8.188 -1.055 1.514 148 3HG2 ILE 23 3HG2 ILE 23 8.627 -2.261 2.773 149 1HD1 ILE 23 1HG1 ILE 23 8.671 -5.264 1.831 150 2HD1 ILE 23 2HG1 ILE 23 7.595 -4.037 2.585 151 3HD1 ILE 23 3HG1 ILE 23 6.913 -5.256 1.454 152 H ARG 24 H ARG 24 8.770 -0.295 -1.977 153 HA ARG 24 HA ARG 24 9.529 1.923 -0.238 154 1HB ARG 24 2HB ARG 24 11.560 1.463 -1.658 155 2HB ARG 24 1HB ARG 24 10.586 1.896 -3.049 156 1HG ARG 24 2HG ARG 24 10.186 3.956 -1.204 157 2HG ARG 24 1HG ARG 24 11.903 3.613 -1.146 158 1HD ARG 24 2HD ARG 24 12.249 4.286 -3.310 159 2HD ARG 24 1HD ARG 24 10.647 3.803 -3.828 160 HE ARG 24 HE ARG 24 9.862 5.935 -3.334 161 1HH1 ARG 24 2HH1 ARG 24 12.974 5.425 -1.688 162 2HH1 ARG 24 HH22 ARG 24 13.087 7.078 -1.128 163 1HH2 ARG 24 1HH1 ARG 24 10.019 8.057 -2.609 164 2HH2 ARG 24 2HH1 ARG 24 11.392 8.581 -1.659 165 H VAL 25 H VAL 25 7.777 3.087 -0.125 166 HA VAL 25 HA VAL 25 5.700 2.940 -2.075 167 HB VAL 25 HB VAL 25 5.159 3.390 0.186 168 1HG1 VAL 25 1HG1 VAL 25 7.228 4.464 0.903 169 2HG1 VAL 25 2HG1 VAL 25 6.808 5.919 -0.066 170 3HG1 VAL 25 3HG1 VAL 25 5.802 5.463 1.353 171 1HG2 VAL 25 1HG2 VAL 25 4.630 5.849 -1.503 172 2HG2 VAL 25 2HG2 VAL 25 3.640 4.349 -1.464 173 3HG2 VAL 25 3HG2 VAL 25 3.742 5.398 -0.007 174 H LEU 26 H LEU 26 6.223 3.468 -4.084 175 HA LEU 26 HA LEU 26 7.639 5.997 -4.544 176 1HB LEU 26 2HB LEU 26 8.091 3.725 -5.695 177 2HB LEU 26 1HB LEU 26 6.759 4.204 -6.728 178 HG LEU 26 HG LEU 26 9.499 5.229 -6.570 179 1HD1 LEU 26 1HD1 LEU 26 8.833 3.799 -8.417 180 2HD1 LEU 26 2HD1 LEU 26 7.506 4.940 -8.828 181 3HD1 LEU 26 3HD1 LEU 26 9.220 5.453 -9.007 182 1HD2 LEU 26 1HD2 LEU 26 7.170 7.039 -7.248 183 2HD2 LEU 26 2HD2 LEU 26 8.287 7.208 -5.850 184 3HD2 LEU 26 3HD2 LEU 26 8.905 7.421 -7.525 185 H TYR 27 H TYR 27 4.606 4.395 -5.372 186 HA TYR 27 HA TYR 27 3.433 7.092 -5.900 187 1HB TYR 27 2HB TYR 27 2.111 6.021 -7.619 188 2HB TYR 27 1HB TYR 27 3.804 5.672 -7.906 189 HD1 TYR 27 HD1 TYR 27 0.539 4.286 -7.365 190 HD2 TYR 27 HD2 TYR 27 4.713 3.411 -7.205 191 HE1 TYR 27 HE1 TYR 27 0.028 1.803 -7.412 192 HE2 TYR 27 HE2 TYR 27 4.188 0.930 -7.249 193 HH TYR 27 HH TYR 27 2.628 -0.557 -7.327 194 H SER 28 H SER 28 2.716 7.223 -3.731 195 HA SER 28 HA SER 28 1.082 5.158 -2.575 196 1HB SER 28 2HB SER 28 0.623 6.744 -0.812 197 2HB SER 28 1HB SER 28 2.332 6.761 -1.200 198 HG SER 28 HG SER 28 1.464 8.879 -0.975 199 H THR 29 H THR 29 -0.790 4.581 -3.356 200 HA THR 29 HA THR 29 -2.466 6.574 -4.708 201 HB THR 29 HB THR 29 -1.924 4.139 -5.516 202 HG1 THR 29 HG1 THR 29 -4.052 4.280 -6.480 203 1HG2 THR 29 1HG2 THR 29 -2.832 3.018 -3.409 204 2HG2 THR 29 2HG2 THR 29 -4.430 3.744 -3.802 205 3HG2 THR 29 3HG2 THR 29 -3.696 2.533 -4.910 206 H LYS 30 H LYS 30 -4.764 6.697 -4.271 207 HA LYS 30 HA LYS 30 -5.200 6.632 -1.353 208 1HB LYS 30 2HB LYS 30 -6.168 8.379 -3.523 209 2HB LYS 30 1HB LYS 30 -7.240 8.106 -2.164 210 1HG LYS 30 2HG LYS 30 -5.378 8.773 -0.642 211 2HG LYS 30 1HG LYS 30 -4.430 9.188 -2.055 212 1HD LYS 30 2HD LYS 30 -5.355 11.238 -1.451 213 2HD LYS 30 1HD LYS 30 -6.462 10.673 -2.686 214 1HE LYS 30 2HE LYS 30 -7.607 9.584 -0.501 215 2HE LYS 30 1HE LYS 30 -6.889 11.013 0.214 216 1HZ LYS 30 1HZ LYS 30 -8.000 12.336 -1.431 217 2HZ LYS 30 2HZ LYS 30 -8.679 10.985 -2.107 218 3HZ LYS 30 3HZ LYS 30 -9.098 11.442 -0.571 219 H VAL 31 H VAL 31 -6.781 5.528 -0.395 220 HA VAL 31 HA VAL 31 -7.869 3.314 -1.869 221 HB VAL 31 HB VAL 31 -8.836 4.100 0.819 222 1HG1 VAL 31 1HG1 VAL 31 -9.801 2.106 -0.203 223 2HG1 VAL 31 2HG1 VAL 31 -8.152 1.430 -0.441 224 3HG1 VAL 31 3HG1 VAL 31 -8.794 1.668 1.221 225 1HG2 VAL 31 1HG2 VAL 31 -6.111 2.905 0.247 226 2HG2 VAL 31 2HG2 VAL 31 -6.439 4.535 0.931 227 3HG2 VAL 31 3HG2 VAL 31 -6.863 3.063 1.872 228 H THR 32 H THR 32 -9.509 3.333 -3.171 229 HA THR 32 HA THR 32 -11.309 5.585 -3.256 230 HB THR 32 HB THR 32 -10.913 3.081 -4.843 231 HG1 THR 32 HG1 THR 32 -10.715 4.831 -6.383 232 1HG2 THR 32 1HG2 THR 32 -13.439 3.400 -4.639 233 2HG2 THR 32 2HG2 THR 32 -13.197 5.088 -5.209 234 3HG2 THR 32 3HG2 THR 32 -12.809 3.708 -6.294 235 H THR 33 H THR 33 -13.275 5.849 -2.468 236 HA THR 33 HA THR 33 -14.197 4.509 -0.266 237 HB THR 33 HB THR 33 -15.109 6.652 -1.118 238 HG1 THR 33 HG1 THR 33 -17.278 5.993 -0.538 239 1HG2 THR 33 1HG2 THR 33 -15.421 5.928 -3.548 240 2HG2 THR 33 2HG2 THR 33 -16.722 4.826 -2.974 241 3HG2 THR 33 3HG2 THR 33 -16.911 6.606 -2.805 242 H SER 34 H SER 34 -14.145 3.390 -3.479 243 HA SER 34 HA SER 34 -16.145 1.302 -2.979 244 1HB SER 34 2HB SER 34 -16.224 0.969 -5.219 245 2HB SER 34 1HB SER 34 -15.614 2.611 -5.226 246 HG SER 34 HG SER 34 -14.401 1.219 -6.600 247 H ILE 35 H ILE 35 -13.340 1.675 -1.742 248 HA ILE 35 HA ILE 35 -11.902 -0.666 -2.577 249 HB ILE 35 HB ILE 35 -11.285 1.564 -1.167 250 1HG1 ILE 35 2HG1 ILE 35 -9.964 -0.494 -2.418 251 2HG1 ILE 35 1HG1 ILE 35 -9.239 0.959 -1.760 252 1HG2 ILE 35 1HG2 ILE 35 -12.238 0.707 0.898 253 2HG2 ILE 35 2HG2 ILE 35 -11.219 -0.768 0.762 254 3HG2 ILE 35 3HG2 ILE 35 -10.450 0.835 1.033 255 1HD1 ILE 35 1HG1 ILE 35 -8.895 -0.169 0.413 256 2HD1 ILE 35 2HG1 ILE 35 -9.639 -1.660 -0.262 257 3HD1 ILE 35 3HG1 ILE 35 -8.080 -1.055 -0.923 258 H THR 36 H THR 36 -11.228 -2.296 -0.818 259 HA THR 36 HA THR 36 -13.621 -3.739 -0.163 260 HB THR 36 HB THR 36 -11.666 -4.987 -0.807 261 HG1 THR 36 HG1 THR 36 -11.539 -6.247 1.161 262 1HG2 THR 36 1HG2 THR 36 -9.923 -3.315 0.023 263 2HG2 THR 36 2HG2 THR 36 -10.341 -3.822 1.697 264 3HG2 THR 36 3HG2 THR 36 -9.608 -5.003 0.556 265 H SER 37 H SER 37 -14.915 -3.469 1.465 266 HA SER 37 HA SER 37 -13.772 -2.334 3.962 267 1HB SER 37 2HB SER 37 -15.280 -0.712 3.862 268 2HB SER 37 1HB SER 37 -15.923 -1.380 2.375 269 HG SER 37 HG SER 37 -17.513 -1.243 4.033 270 H LYS 38 H LYS 38 -15.721 -4.739 2.434 271 HA LYS 38 HA LYS 38 -16.335 -5.917 5.075 272 1HB LYS 38 2HB LYS 38 -18.246 -6.813 4.239 273 2HB LYS 38 1HB LYS 38 -18.113 -5.402 3.208 274 1HG LYS 38 2HG LYS 38 -17.061 -6.747 1.468 275 2HG LYS 38 1HG LYS 38 -17.117 -8.159 2.503 276 1HD LYS 38 2HD LYS 38 -18.992 -8.464 1.166 277 2HD LYS 38 1HD LYS 38 -19.673 -7.685 2.580 278 1HE LYS 38 2HE LYS 38 -20.623 -6.422 0.896 279 2HE LYS 38 1HE LYS 38 -19.177 -5.488 1.223 280 1HZ LYS 38 1HZ LYS 38 -18.101 -6.612 -0.585 281 2HZ LYS 38 2HZ LYS 38 -19.467 -7.495 -0.894 282 3HZ LYS 38 3HZ LYS 38 -19.474 -5.854 -1.114 283 H LYS 39 H LYS 39 -15.121 -6.686 1.854 284 HA LYS 39 HA LYS 39 -14.283 -9.323 2.566 285 1HB LYS 39 2HB LYS 39 -14.538 -7.927 0.219 286 2HB LYS 39 1HB LYS 39 -12.807 -8.148 0.372 287 1HG LYS 39 2HG LYS 39 -13.635 -10.046 -0.806 288 2HG LYS 39 1HG LYS 39 -13.265 -10.588 0.818 289 1HD LYS 39 2HD LYS 39 -15.356 -11.521 0.506 290 2HD LYS 39 1HD LYS 39 -15.778 -10.002 1.271 291 1HE LYS 39 2HE LYS 39 -16.872 -9.281 -0.554 292 2HE LYS 39 1HE LYS 39 -15.559 -9.751 -1.615 293 1HZ LYS 39 1HZ LYS 39 -16.367 -11.995 -1.540 294 2HZ LYS 39 2HZ LYS 39 -17.607 -11.551 -0.537 295 3HZ LYS 39 3HZ LYS 39 -17.550 -10.975 -2.088 296 H TRP 40 H TRP 40 -12.664 -10.007 3.708 297 HA TRP 40 HA TRP 40 -10.221 -8.387 3.850 298 1HB TRP 40 2HB TRP 40 -11.823 -9.139 6.267 299 2HB TRP 40 1HB TRP 40 -10.157 -8.599 6.324 300 HD1 TRP 40 HD1 TRP 40 -13.085 -7.096 7.337 301 HE1 TRP 40 HE1 TRP 40 -9.504 -6.851 3.749 302 HE3 TRP 40 HE3 TRP 40 -13.309 -4.568 6.824 303 HZ2 TRP 40 HZ2 TRP 40 -9.074 -4.641 2.687 304 HZ3 TRP 40 HZ3 TRP 40 -12.069 -2.711 5.072 305 HH2 TRP 40 HH2 TRP 40 -10.292 -2.617 3.294 306 H GLY 41 H GLY 41 -8.499 -9.600 3.670 307 1HA GLY 41 2HA GLY 41 -8.830 -12.520 4.166 308 2HA GLY 41 1HA GLY 41 -7.855 -11.861 2.869 309 H THR 42 H THR 42 -6.918 -13.688 4.774 310 HA THR 42 HA THR 42 -5.594 -12.538 6.965 311 HB THR 42 HB THR 42 -5.834 -14.945 6.748 312 HG1 THR 42 HG1 THR 42 -3.568 -15.373 7.142 313 1HG2 THR 42 1HG2 THR 42 -5.532 -15.081 4.215 314 2HG2 THR 42 2HG2 THR 42 -3.794 -14.701 4.477 315 3HG2 THR 42 3HG2 THR 42 -4.488 -16.228 5.125 316 H ARG 43 H ARG 43 -4.727 -12.722 3.584 317 HA ARG 43 HA ARG 43 -2.161 -11.374 4.134 318 1HB ARG 43 2HB ARG 43 -3.180 -13.076 2.005 319 2HB ARG 43 1HB ARG 43 -2.335 -11.661 1.411 320 1HG ARG 43 2HG ARG 43 -0.481 -12.276 3.053 321 2HG ARG 43 1HG ARG 43 -1.289 -13.822 3.217 322 1HD ARG 43 2HD ARG 43 -0.552 -12.741 0.517 323 2HD ARG 43 1HD ARG 43 0.607 -13.634 1.481 324 HE ARG 43 HE ARG 43 -0.647 -15.613 1.184 325 1HH1 ARG 43 2HH1 ARG 43 -2.325 -12.805 -0.214 326 2HH1 ARG 43 HH22 ARG 43 -3.480 -13.781 -1.093 327 1HH2 ARG 43 1HH1 ARG 43 -2.136 -16.855 0.050 328 2HH2 ARG 43 2HH1 ARG 43 -3.367 -16.100 -0.938 329 H ASP 44 H ASP 44 -5.181 -10.424 3.961 330 HA ASP 44 HA ASP 44 -4.686 -8.106 2.170 331 1HB ASP 44 2HB ASP 44 -6.930 -9.725 2.573 332 2HB ASP 44 1HB ASP 44 -7.305 -8.197 3.345 333 H LEU 45 H LEU 45 -5.488 -6.010 2.914 334 HA LEU 45 HA LEU 45 -4.796 -5.665 5.758 335 1HB LEU 45 2HB LEU 45 -3.766 -4.396 3.706 336 2HB LEU 45 1HB LEU 45 -5.150 -3.355 3.966 337 HG LEU 45 HG LEU 45 -4.394 -3.053 6.296 338 1HD1 LEU 45 1HD1 LEU 45 -3.064 -5.066 6.572 339 2HD1 LEU 45 2HD1 LEU 45 -1.902 -4.475 5.333 340 3HD1 LEU 45 3HD1 LEU 45 -2.070 -3.604 6.897 341 1HD2 LEU 45 1HD2 LEU 45 -2.463 -2.182 4.134 342 2HD2 LEU 45 2HD2 LEU 45 -3.975 -1.340 4.624 343 3HD2 LEU 45 3HD2 LEU 45 -2.595 -1.452 5.772 344 H GLN 46 H GLN 46 -6.043 -4.463 7.179 345 HA GLN 46 HA GLN 46 -8.902 -4.709 6.599 346 1HB GLN 46 2HB GLN 46 -8.241 -5.542 8.727 347 2HB GLN 46 1HB GLN 46 -7.410 -4.050 9.116 348 1HG GLN 46 2HG GLN 46 -9.346 -2.937 9.606 349 2HG GLN 46 1HG GLN 46 -10.290 -3.852 8.448 350 1HE2 GLN 46 1HE2 GLN 46 -10.596 -6.178 8.933 351 2HE2 GLN 46 2HE2 GLN 46 -10.933 -6.630 10.588 352 H VAL 47 H VAL 47 -7.338 -2.763 5.171 353 HA VAL 47 HA VAL 47 -7.780 -0.165 6.245 354 HB VAL 47 HB VAL 47 -7.215 0.650 4.079 355 1HG1 VAL 47 1HG1 VAL 47 -5.368 -0.191 5.431 356 2HG1 VAL 47 2HG1 VAL 47 -5.611 -1.834 4.742 357 3HG1 VAL 47 3HG1 VAL 47 -5.064 -0.487 3.684 358 1HG2 VAL 47 1HG2 VAL 47 -7.599 -2.188 3.088 359 2HG2 VAL 47 2HG2 VAL 47 -8.644 -0.775 2.708 360 3HG2 VAL 47 3HG2 VAL 47 -6.945 -0.821 2.120 361 H LYS 48 H LYS 48 -9.220 1.476 5.376 362 HA LYS 48 HA LYS 48 -11.859 0.273 4.776 363 1HB LYS 48 2HB LYS 48 -12.882 2.162 5.912 364 2HB LYS 48 1HB LYS 48 -11.797 1.290 6.976 365 1HG LYS 48 2HG LYS 48 -10.332 3.330 5.606 366 2HG LYS 48 1HG LYS 48 -11.754 4.039 6.345 367 1HD LYS 48 2HD LYS 48 -9.937 4.119 7.932 368 2HD LYS 48 1HD LYS 48 -11.120 2.954 8.491 369 1HE LYS 48 2HE LYS 48 -9.731 1.149 7.455 370 2HE LYS 48 1HE LYS 48 -8.511 2.357 7.106 371 1HZ LYS 48 1HZ LYS 48 -8.362 2.814 9.442 372 2HZ LYS 48 2HZ LYS 48 -9.516 1.672 9.773 373 3HZ LYS 48 3HZ LYS 48 -8.053 1.214 9.146 374 HA PRO 49 HA PRO 49 -11.952 2.454 1.068 375 1HB PRO 49 2HB PRO 49 -14.660 2.855 0.744 376 2HB PRO 49 1HB PRO 49 -13.815 1.362 0.386 377 1HG PRO 49 2HG PRO 49 -15.595 1.988 2.622 378 2HG PRO 49 1HG PRO 49 -15.091 0.424 2.015 379 1HD PRO 49 2HD PRO 49 -14.140 1.751 4.341 380 2HD PRO 49 1HD PRO 49 -13.555 0.243 3.670 381 H GLY 50 H GLY 50 -11.496 4.450 0.489 382 1HA GLY 50 2HA GLY 50 -12.010 6.780 0.305 383 2HA GLY 50 1HA GLY 50 -12.956 6.680 1.776 384 H GLU 51 H GLU 51 -10.096 4.948 2.013 385 HA GLU 51 HA GLU 51 -8.889 7.133 3.600 386 1HB GLU 51 2HB GLU 51 -9.098 4.271 3.978 387 2HB GLU 51 1HB GLU 51 -7.455 4.851 4.162 388 1HG GLU 51 2HG GLU 51 -8.838 6.739 5.548 389 2HG GLU 51 1HG GLU 51 -9.810 5.314 5.855 390 H SER 52 H SER 52 -6.435 6.986 3.730 391 HA SER 52 HA SER 52 -5.365 6.521 1.001 392 1HB SER 52 2HB SER 52 -5.713 8.932 1.404 393 2HB SER 52 1HB SER 52 -4.639 8.827 2.783 394 HG SER 52 HG SER 52 -3.560 9.557 0.886 395 H LEU 53 H LEU 53 -3.616 5.331 0.870 396 HA LEU 53 HA LEU 53 -1.875 5.116 3.228 397 1HB LEU 53 2HB LEU 53 -3.527 3.323 3.413 398 2HB LEU 53 1HB LEU 53 -2.998 2.709 1.860 399 HG LEU 53 HG LEU 53 -0.819 2.235 2.776 400 1HD1 LEU 53 1HD1 LEU 53 -0.646 4.006 4.430 401 2HD1 LEU 53 2HD1 LEU 53 -1.940 3.229 5.405 402 3HD1 LEU 53 3HD1 LEU 53 -0.358 2.403 5.190 403 1HD2 LEU 53 1HD2 LEU 53 -3.074 1.052 4.411 404 2HD2 LEU 53 2HD2 LEU 53 -2.488 0.470 2.814 405 3HD2 LEU 53 3HD2 LEU 53 -1.421 0.361 4.257 406 H GLU 54 H GLU 54 0.162 3.958 2.727 407 HA GLU 54 HA GLU 54 1.202 5.065 0.260 408 1HB GLU 54 2HB GLU 54 2.306 4.005 2.721 409 2HB GLU 54 1HB GLU 54 3.203 3.500 1.304 410 1HG GLU 54 2HG GLU 54 4.240 5.491 1.492 411 2HG GLU 54 1HG GLU 54 2.780 6.148 0.781 412 H VAL 55 H VAL 55 1.649 4.122 -1.597 413 HA VAL 55 HA VAL 55 0.929 1.261 -1.809 414 HB VAL 55 HB VAL 55 0.729 3.571 -3.618 415 1HG1 VAL 55 1HG1 VAL 55 2.215 2.123 -4.899 416 2HG1 VAL 55 2HG1 VAL 55 1.095 0.741 -4.637 417 3HG1 VAL 55 3HG1 VAL 55 0.570 2.149 -5.625 418 1HG2 VAL 55 1HG2 VAL 55 -1.010 1.136 -3.144 419 2HG2 VAL 55 2HG2 VAL 55 -1.251 2.772 -2.440 420 3HG2 VAL 55 3HG2 VAL 55 -1.420 2.522 -4.213 421 H ILE 56 H ILE 56 2.376 -0.231 -2.181 422 HA ILE 56 HA ILE 56 5.142 0.659 -2.593 423 HB ILE 56 HB ILE 56 4.160 -2.096 -2.014 424 1HG1 ILE 56 2HG1 ILE 56 4.781 0.160 -0.173 425 2HG1 ILE 56 1HG1 ILE 56 3.403 -0.921 -0.173 426 1HG2 ILE 56 1HG2 ILE 56 6.398 -2.060 -2.960 427 2HG2 ILE 56 2HG2 ILE 56 6.902 -0.845 -1.735 428 3HG2 ILE 56 3HG2 ILE 56 6.456 -2.509 -1.220 429 1HD1 ILE 56 1HG1 ILE 56 4.851 -2.804 0.513 430 2HD1 ILE 56 2HG1 ILE 56 6.266 -1.694 0.513 431 3HD1 ILE 56 3HG1 ILE 56 4.932 -1.450 1.693 432 H GLN 57 H GLN 57 5.514 -2.217 -3.665 433 HA GLN 57 HA GLN 57 5.223 -1.390 -6.474 434 1HB GLN 57 2HB GLN 57 6.850 -3.514 -5.136 435 2HB GLN 57 1HB GLN 57 6.641 -3.460 -6.875 436 1HG GLN 57 2HG GLN 57 7.820 -1.285 -5.152 437 2HG GLN 57 1HG GLN 57 8.698 -2.322 -6.259 438 1HE2 GLN 57 1HE2 GLN 57 7.798 -2.364 -8.531 439 2HE2 GLN 57 2HE2 GLN 57 7.405 -0.817 -9.248 440 H THR 58 H THR 58 4.444 -2.830 -8.084 441 HA THR 58 HA THR 58 1.955 -4.007 -7.324 442 HB THR 58 HB THR 58 2.062 -4.769 -9.808 443 HG1 THR 58 HG1 THR 58 3.858 -3.673 -10.835 444 1HG2 THR 58 1HG2 THR 58 0.991 -2.566 -9.083 445 2HG2 THR 58 2HG2 THR 58 2.620 -1.817 -9.214 446 3HG2 THR 58 3HG2 THR 58 1.812 -2.472 -10.680 447 H THR 59 H THR 59 1.520 -5.878 -6.478 448 HA THR 59 HA THR 59 3.455 -7.785 -5.822 449 HB THR 59 HB THR 59 0.475 -7.725 -5.897 450 HG1 THR 59 HG1 THR 59 1.039 -8.131 -3.663 451 1HG2 THR 59 1HG2 THR 59 1.106 -10.098 -6.601 452 2HG2 THR 59 2HG2 THR 59 2.155 -10.172 -5.143 453 3HG2 THR 59 3HG2 THR 59 0.374 -10.007 -4.961 454 H ASP 60 H ASP 60 0.839 -8.473 -8.103 455 HA ASP 60 HA ASP 60 2.742 -10.158 -9.641 456 1HB ASP 60 2HB ASP 60 -0.176 -10.238 -9.149 457 2HB ASP 60 1HB ASP 60 0.395 -10.779 -10.714 458 H ASP 61 H ASP 61 -0.304 -8.991 -10.830 459 HA ASP 61 HA ASP 61 1.150 -7.315 -12.821 460 1HB ASP 61 2HB ASP 61 -1.526 -8.605 -13.220 461 2HB ASP 61 1HB ASP 61 -0.509 -7.846 -14.428 462 H THR 62 H THR 62 -2.057 -7.816 -11.369 463 HA THR 62 HA THR 62 -2.333 -4.864 -11.227 464 HB THR 62 HB THR 62 -4.789 -6.524 -11.322 465 HG1 THR 62 HG1 THR 62 -4.374 -6.763 -13.612 466 1HG2 THR 62 1HG2 THR 62 -4.793 -3.975 -11.478 467 2HG2 THR 62 2HG2 THR 62 -3.814 -4.139 -12.977 468 3HG2 THR 62 3HG2 THR 62 -5.492 -4.783 -12.924 469 H LYS 63 H LYS 63 -1.099 -5.278 -9.206 470 HA LYS 63 HA LYS 63 -2.996 -5.302 -7.025 471 1HB LYS 63 2HB LYS 63 -2.633 -7.698 -7.303 472 2HB LYS 63 1HB LYS 63 -0.911 -7.458 -7.092 473 1HG LYS 63 2HG LYS 63 -1.117 -7.431 -4.863 474 2HG LYS 63 1HG LYS 63 -2.388 -6.228 -4.940 475 1HD LYS 63 2HD LYS 63 -4.025 -8.012 -5.411 476 2HD LYS 63 1HD LYS 63 -2.747 -9.203 -5.282 477 1HE LYS 63 2HE LYS 63 -2.727 -9.119 -3.021 478 2HE LYS 63 1HE LYS 63 -2.962 -7.383 -2.987 479 1HZ LYS 63 1HZ LYS 63 -5.270 -7.735 -3.479 480 2HZ LYS 63 2HZ LYS 63 -5.048 -9.375 -3.511 481 3HZ LYS 63 3HZ LYS 63 -4.846 -8.539 -2.096 482 H VAL 64 H VAL 64 -2.431 -3.927 -5.519 483 HA VAL 64 HA VAL 64 0.409 -3.065 -5.493 484 HB VAL 64 HB VAL 64 -0.228 -0.832 -5.192 485 1HG1 VAL 64 1HG1 VAL 64 -0.316 -1.570 -7.515 486 2HG1 VAL 64 2HG1 VAL 64 -2.038 -2.042 -7.300 487 3HG1 VAL 64 3HG1 VAL 64 -1.561 -0.312 -7.199 488 1HG2 VAL 64 1HG2 VAL 64 -3.093 -1.785 -4.926 489 2HG2 VAL 64 2HG2 VAL 64 -2.055 -1.145 -3.605 490 3HG2 VAL 64 3HG2 VAL 64 -2.561 -0.068 -4.954 491 H LEU 65 H LEU 65 1.446 -3.251 -3.666 492 HA LEU 65 HA LEU 65 -0.090 -4.103 -1.323 493 1HB LEU 65 2HB LEU 65 1.631 -5.520 -1.416 494 2HB LEU 65 1HB LEU 65 2.675 -4.369 -2.226 495 HG LEU 65 HG LEU 65 2.795 -3.224 0.058 496 1HD1 LEU 65 1HD1 LEU 65 1.009 -4.442 1.164 497 2HD1 LEU 65 2HD1 LEU 65 1.898 -5.985 0.913 498 3HD1 LEU 65 3HD1 LEU 65 2.576 -4.723 2.000 499 1HD2 LEU 65 1HD2 LEU 65 4.176 -5.872 -0.436 500 2HD2 LEU 65 2HD2 LEU 65 4.707 -4.259 -1.027 501 3HD2 LEU 65 3HD2 LEU 65 4.712 -4.617 0.735 502 H CYS 66 H CYS 66 -0.740 -2.818 0.191 503 HA CYS 66 HA CYS 66 0.344 -0.087 0.256 504 1HB CYS 66 2HB CYS 66 -1.946 -1.154 1.877 505 2HB CYS 66 1HB CYS 66 -1.547 0.522 1.560 506 HG CYS 66 HG CYS 66 -3.816 -0.160 -0.059 507 H ARG 67 H ARG 67 1.003 0.906 2.220 508 HA ARG 67 HA ARG 67 1.899 -1.009 4.295 509 1HB ARG 67 2HB ARG 67 3.679 -0.118 2.500 510 2HB ARG 67 1HB ARG 67 3.746 1.199 3.654 511 1HG ARG 67 2HG ARG 67 4.015 -0.622 5.440 512 2HG ARG 67 1HG ARG 67 4.358 -1.705 4.105 513 1HD ARG 67 2HD ARG 67 6.394 -0.766 3.695 514 2HD ARG 67 1HD ARG 67 5.852 0.845 4.119 515 HE ARG 67 HE ARG 67 5.969 -0.915 6.422 516 1HH1 ARG 67 2HH1 ARG 67 7.924 1.190 4.324 517 2HH1 ARG 67 HH22 ARG 67 9.142 1.480 5.546 518 1HH2 ARG 67 1HH1 ARG 67 7.541 -0.535 7.983 519 2HH2 ARG 67 2HH1 ARG 67 8.917 0.489 7.639 520 H ASN 68 H ASN 68 1.836 -0.303 6.344 521 HA ASN 68 HA ASN 68 0.902 2.500 6.739 522 1HB ASN 68 2HB ASN 68 -0.025 1.357 8.938 523 2HB ASN 68 1HB ASN 68 -0.959 1.353 7.456 524 1HD2 ASN 68 1HD2 ASN 68 0.974 -0.469 9.680 525 2HD2 ASN 68 2HD2 ASN 68 0.611 -2.069 9.072 526 H GLU 69 H GLU 69 1.839 3.682 8.317 527 HA GLU 69 HA GLU 69 4.453 3.067 9.108 528 1HB GLU 69 2HB GLU 69 2.686 5.220 9.444 529 2HB GLU 69 1HB GLU 69 3.265 4.793 11.042 530 1HG GLU 69 2HG GLU 69 5.564 4.675 9.581 531 2HG GLU 69 1HG GLU 69 4.708 5.977 8.780 532 H GLU 70 H GLU 70 1.567 1.764 10.177 533 HA GLU 70 HA GLU 70 2.090 1.312 12.909 534 1HB GLU 70 2HB GLU 70 0.056 0.674 11.189 535 2HB GLU 70 1HB GLU 70 0.723 -0.893 11.603 536 1HG GLU 70 2HG GLU 70 -1.078 -0.181 13.152 537 2HG GLU 70 1HG GLU 70 0.453 -0.432 13.966 538 H GLY 71 H GLY 71 3.736 0.252 10.211 539 1HA GLY 71 2HA GLY 71 5.719 -1.000 10.224 540 2HA GLY 71 1HA GLY 71 5.364 -1.549 11.849 541 H LYS 72 H LYS 72 2.736 -1.756 9.735 542 HA LYS 72 HA LYS 72 3.333 -4.603 9.184 543 1HB LYS 72 2HB LYS 72 1.808 -4.730 10.946 544 2HB LYS 72 1HB LYS 72 0.827 -3.428 10.305 545 1HG LYS 72 2HG LYS 72 1.132 -5.715 8.495 546 2HG LYS 72 1HG LYS 72 0.280 -6.080 9.981 547 1HD LYS 72 2HD LYS 72 -0.595 -3.573 8.807 548 2HD LYS 72 1HD LYS 72 -0.817 -4.926 7.716 549 1HE LYS 72 2HE LYS 72 -2.794 -4.545 9.156 550 2HE LYS 72 1HE LYS 72 -2.084 -6.127 9.406 551 1HZ LYS 72 1HZ LYS 72 -0.961 -5.266 11.327 552 2HZ LYS 72 2HZ LYS 72 -1.633 -3.771 11.091 553 3HZ LYS 72 3HZ LYS 72 -2.598 -5.060 11.475 554 H TYR 73 H TYR 73 2.569 -5.478 7.288 555 HA TYR 73 HA TYR 73 1.864 -3.425 5.241 556 1HB TYR 73 2HB TYR 73 3.306 -6.065 5.196 557 2HB TYR 73 1HB TYR 73 2.793 -5.255 3.729 558 HD1 TYR 73 HD1 TYR 73 4.412 -4.043 2.622 559 HD2 TYR 73 HD2 TYR 73 4.628 -4.386 6.871 560 HE1 TYR 73 HE1 TYR 73 6.554 -2.685 2.630 561 HE2 TYR 73 HE2 TYR 73 6.769 -3.027 6.864 562 HH TYR 73 HH TYR 73 8.207 -1.980 5.648 563 H GLY 74 H GLY 74 0.596 -4.265 3.396 564 1HA GLY 74 2HA GLY 74 -1.115 -6.574 3.902 565 2HA GLY 74 1HA GLY 74 -1.937 -5.029 3.986 566 H TYR 75 H TYR 75 -2.520 -7.077 2.139 567 HA TYR 75 HA TYR 75 -1.458 -6.021 -0.432 568 1HB TYR 75 2HB TYR 75 -2.590 -8.572 0.596 569 2HB TYR 75 1HB TYR 75 -2.827 -8.199 -1.099 570 HD1 TYR 75 HD1 TYR 75 -0.233 -6.834 -1.681 571 HD2 TYR 75 HD2 TYR 75 -1.101 -10.394 0.507 572 HE1 TYR 75 HE1 TYR 75 2.085 -7.724 -2.197 573 HE2 TYR 75 HE2 TYR 75 1.221 -11.272 -0.016 574 HH TYR 75 HH TYR 75 3.093 -10.871 -1.005 575 H VAL 76 H VAL 76 -2.868 -5.561 -2.148 576 HA VAL 76 HA VAL 76 -5.730 -5.364 -1.507 577 HB VAL 76 HB VAL 76 -4.381 -2.987 -2.665 578 1HG1 VAL 76 1HG1 VAL 76 -6.809 -3.106 -2.863 579 2HG1 VAL 76 2HG1 VAL 76 -6.942 -3.350 -1.086 580 3HG1 VAL 76 3HG1 VAL 76 -6.326 -1.791 -1.737 581 1HG2 VAL 76 1HG2 VAL 76 -4.734 -3.527 0.295 582 2HG2 VAL 76 2HG2 VAL 76 -3.173 -3.400 -0.587 583 3HG2 VAL 76 3HG2 VAL 76 -4.237 -1.959 -0.430 584 H LEU 77 H LEU 77 -6.922 -6.079 -3.088 585 HA LEU 77 HA LEU 77 -5.629 -6.736 -5.604 586 1HB LEU 77 2HB LEU 77 -7.531 -7.956 -4.168 587 2HB LEU 77 1HB LEU 77 -8.512 -7.126 -5.359 588 HG LEU 77 HG LEU 77 -6.510 -9.279 -5.746 589 1HD1 LEU 77 1HD1 LEU 77 -8.808 -9.972 -5.366 590 2HD1 LEU 77 2HD1 LEU 77 -9.355 -8.908 -6.709 591 3HD1 LEU 77 3HD1 LEU 77 -8.312 -10.330 -7.057 592 1HD2 LEU 77 1HD2 LEU 77 -7.522 -7.422 -7.911 593 2HD2 LEU 77 2HD2 LEU 77 -5.830 -7.556 -7.319 594 3HD2 LEU 77 3HD2 LEU 77 -6.592 -8.936 -8.184 595 H ARG 78 H ARG 78 -6.044 -5.947 -7.607 596 HA ARG 78 HA ARG 78 -6.560 -3.188 -7.799 597 1HB ARG 78 2HB ARG 78 -6.302 -3.415 -10.078 598 2HB ARG 78 1HB ARG 78 -5.476 -4.848 -9.500 599 1HG ARG 78 2HG ARG 78 -8.392 -4.982 -10.130 600 2HG ARG 78 1HG ARG 78 -7.222 -5.052 -11.433 601 1HD ARG 78 2HD ARG 78 -6.292 -6.820 -9.453 602 2HD ARG 78 1HD ARG 78 -8.010 -7.125 -9.610 603 HE ARG 78 HE ARG 78 -6.039 -7.968 -11.444 604 1HH1 ARG 78 2HH1 ARG 78 -9.160 -6.262 -11.513 605 2HH1 ARG 78 HH22 ARG 78 -9.556 -6.803 -13.129 606 1HH2 ARG 78 1HH1 ARG 78 -6.560 -8.656 -13.518 607 2HH2 ARG 78 2HH1 ARG 78 -8.063 -8.174 -14.272 608 H SER 79 H SER 79 -8.674 -5.877 -7.610 609 HA SER 79 HA SER 79 -10.953 -5.009 -8.928 610 1HB SER 79 2HB SER 79 -10.429 -7.107 -7.356 611 2HB SER 79 1HB SER 79 -11.401 -6.154 -6.252 612 HG SER 79 HG SER 79 -12.672 -7.594 -7.520 613 H TYR 80 H TYR 80 -10.189 -4.437 -5.507 614 HA TYR 80 HA TYR 80 -11.920 -2.004 -5.621 615 1HB TYR 80 2HB TYR 80 -12.060 -2.471 -3.128 616 2HB TYR 80 1HB TYR 80 -12.870 -3.621 -4.172 617 HD1 TYR 80 HD1 TYR 80 -9.945 -3.076 -2.003 618 HD2 TYR 80 HD2 TYR 80 -12.154 -5.906 -4.311 619 HE1 TYR 80 HE1 TYR 80 -8.641 -4.973 -0.937 620 HE2 TYR 80 HE2 TYR 80 -10.842 -7.793 -3.240 621 HH TYR 80 HH TYR 80 -9.294 -8.307 -1.831 622 H LEU 81 H LEU 81 -10.081 -0.775 -6.362 623 HA LEU 81 HA LEU 81 -8.662 0.408 -4.183 624 1HB LEU 81 2HB LEU 81 -6.994 -1.040 -4.066 625 2HB LEU 81 1HB LEU 81 -7.349 -1.725 -5.640 626 HG LEU 81 HG LEU 81 -6.269 0.477 -6.495 627 1HD1 LEU 81 1HD1 LEU 81 -6.025 1.570 -4.340 628 2HD1 LEU 81 2HD1 LEU 81 -5.006 0.208 -3.758 629 3HD1 LEU 81 3HD1 LEU 81 -4.415 1.272 -5.082 630 1HD2 LEU 81 1HD2 LEU 81 -4.649 -1.836 -5.405 631 2HD2 LEU 81 2HD2 LEU 81 -5.445 -1.748 -7.015 632 3HD2 LEU 81 3HD2 LEU 81 -4.080 -0.645 -6.626 633 H ALA 82 H ALA 82 -6.954 1.991 -5.078 634 HA ALA 82 HA ALA 82 -8.364 3.551 -7.088 635 1HB ALA 82 1HB ALA 82 -7.423 4.654 -5.113 636 2HB ALA 82 2HB ALA 82 -5.783 4.088 -5.584 637 3HB ALA 82 3HB ALA 82 -6.655 5.274 -6.616 638 H ASP 83 H ASP 83 -6.893 4.698 -8.753 639 HA ASP 83 HA ASP 83 -6.135 2.796 -10.679 640 1HB ASP 83 2HB ASP 83 -5.961 5.668 -10.367 641 2HB ASP 83 1HB ASP 83 -4.576 5.017 -11.221 Start of MODEL 2 1 H GLU 7 H1 GLU 7 3.043 -4.670 14.088 2 HA GLU 7 HA GLU 7 5.279 -4.013 14.028 3 1HB GLU 7 2HB GLU 7 5.266 -3.485 16.531 4 2HB GLU 7 1HB GLU 7 5.632 -5.184 16.754 5 1HG GLU 7 2HG GLU 7 7.524 -4.747 15.027 6 2HG GLU 7 1HG GLU 7 7.287 -3.062 15.445 7 H LYS 8 H LYS 8 4.186 -6.813 15.907 8 HA LYS 8 HA LYS 8 5.984 -8.630 14.666 9 1HB LYS 8 2HB LYS 8 4.625 -8.850 16.857 10 2HB LYS 8 1HB LYS 8 3.394 -9.531 15.813 11 1HG LYS 8 2HG LYS 8 6.001 -10.651 15.245 12 2HG LYS 8 1HG LYS 8 5.555 -10.885 16.923 13 1HD LYS 8 2HD LYS 8 3.352 -11.785 16.118 14 2HD LYS 8 1HD LYS 8 3.995 -11.730 14.489 15 1HE LYS 8 2HE LYS 8 5.362 -13.218 16.718 16 2HE LYS 8 1HE LYS 8 4.170 -13.968 15.676 17 1HZ LYS 8 1HZ LYS 8 5.534 -13.415 13.799 18 2HZ LYS 8 2HZ LYS 8 6.660 -12.706 14.784 19 3HZ LYS 8 3HZ LYS 8 6.385 -14.336 14.880 20 H GLU 9 H GLU 9 3.283 -7.022 13.536 21 HA GLU 9 HA GLU 9 2.249 -8.979 11.739 22 1HB GLU 9 2HB GLU 9 1.449 -6.503 12.504 23 2HB GLU 9 1HB GLU 9 2.024 -6.197 10.877 24 1HG GLU 9 2HG GLU 9 -0.248 -6.756 10.610 25 2HG GLU 9 1HG GLU 9 0.620 -8.216 10.181 26 H GLU 10 H GLU 10 4.885 -6.718 11.606 27 HA GLU 10 HA GLU 10 5.343 -6.806 8.812 28 1HB GLU 10 2HB GLU 10 6.554 -5.119 9.729 29 2HB GLU 10 1HB GLU 10 6.934 -6.032 11.175 30 1HG GLU 10 2HG GLU 10 8.586 -7.329 9.988 31 2HG GLU 10 1HG GLU 10 8.129 -6.589 8.466 32 H LYS 11 H LYS 11 6.396 -8.853 11.456 33 HA LYS 11 HA LYS 11 8.132 -10.451 9.823 34 1HB LYS 11 2HB LYS 11 7.041 -10.732 12.579 35 2HB LYS 11 1HB LYS 11 7.922 -12.047 11.827 36 1HG LYS 11 2HG LYS 11 9.705 -10.987 12.761 37 2HG LYS 11 1HG LYS 11 9.612 -10.034 11.294 38 1HD LYS 11 2HD LYS 11 8.832 -8.191 12.380 39 2HD LYS 11 1HD LYS 11 7.922 -9.134 13.544 40 1HE LYS 11 2HE LYS 11 10.849 -9.382 13.743 41 2HE LYS 11 1HE LYS 11 10.204 -7.802 14.139 42 1HZ LYS 11 1HZ LYS 11 8.728 -8.847 15.694 43 2HZ LYS 11 2HZ LYS 11 9.337 -10.341 15.319 44 3HZ LYS 11 3HZ LYS 11 10.301 -9.214 16.056 45 H ASP 12 H ASP 12 4.767 -10.454 10.625 46 HA ASP 12 HA ASP 12 4.217 -13.118 9.660 47 1HB ASP 12 2HB ASP 12 2.567 -12.313 11.077 48 2HB ASP 12 1HB ASP 12 2.569 -10.727 10.331 49 H PHE 13 H PHE 13 4.371 -9.895 8.324 50 HA PHE 13 HA PHE 13 3.056 -10.381 5.848 51 1HB PHE 13 2HB PHE 13 3.434 -8.155 6.482 52 2HB PHE 13 1HB PHE 13 5.117 -8.461 6.862 53 HD1 PHE 13 HD1 PHE 13 6.797 -8.460 5.138 54 HD2 PHE 13 HD2 PHE 13 2.726 -7.790 4.194 55 HE1 PHE 13 HE1 PHE 13 7.460 -7.630 2.871 56 HE2 PHE 13 HE2 PHE 13 3.389 -6.960 1.927 57 HZ PHE 13 HZ PHE 13 5.748 -6.889 1.292 58 H ARG 14 H ARG 14 6.505 -10.334 6.709 59 HA ARG 14 HA ARG 14 7.483 -11.102 4.174 60 1HB ARG 14 2HB ARG 14 9.513 -11.842 5.413 61 2HB ARG 14 1HB ARG 14 8.998 -10.214 5.808 62 1HG ARG 14 2HG ARG 14 8.012 -10.948 7.865 63 2HG ARG 14 1HG ARG 14 8.240 -12.631 7.436 64 1HD ARG 14 2HD ARG 14 10.787 -11.779 7.272 65 2HD ARG 14 1HD ARG 14 10.188 -10.676 8.494 66 HE ARG 14 HE ARG 14 9.947 -12.458 9.999 67 1HH1 ARG 14 2HH1 ARG 14 10.625 -13.690 6.731 68 2HH1 ARG 14 HH22 ARG 14 10.890 -15.332 7.275 69 1HH2 ARG 14 1HH1 ARG 14 10.290 -14.570 10.684 70 2HH2 ARG 14 2HH1 ARG 14 10.697 -15.829 9.540 71 H LYS 15 H LYS 15 6.141 -12.916 6.814 72 HA LYS 15 HA LYS 15 7.074 -15.475 6.174 73 1HB LYS 15 2HB LYS 15 6.012 -15.562 8.155 74 2HB LYS 15 1HB LYS 15 4.794 -14.397 7.676 75 1HG LYS 15 2HG LYS 15 4.714 -16.997 6.282 76 2HG LYS 15 1HG LYS 15 4.284 -17.023 7.980 77 1HD LYS 15 2HD LYS 15 3.027 -14.799 6.641 78 2HD LYS 15 1HD LYS 15 2.633 -16.309 5.844 79 1HE LYS 15 2HE LYS 15 2.479 -16.637 8.694 80 2HE LYS 15 1HE LYS 15 1.493 -15.278 8.195 81 1HZ LYS 15 1HZ LYS 15 0.433 -16.695 6.596 82 2HZ LYS 15 2HZ LYS 15 1.365 -17.980 7.067 83 3HZ LYS 15 3HZ LYS 15 0.269 -17.321 8.120 84 H LYS 16 H LYS 16 4.009 -13.982 5.191 85 HA LYS 16 HA LYS 16 3.692 -16.006 3.118 86 1HB LYS 16 2HB LYS 16 1.839 -14.977 4.592 87 2HB LYS 16 1HB LYS 16 1.879 -13.668 3.428 88 1HG LYS 16 2HG LYS 16 0.215 -15.171 2.653 89 2HG LYS 16 1HG LYS 16 1.611 -15.434 1.628 90 1HD LYS 16 2HD LYS 16 1.730 -17.124 3.960 91 2HD LYS 16 1HD LYS 16 0.222 -17.363 3.099 92 1HE LYS 16 2HE LYS 16 1.926 -17.351 1.019 93 2HE LYS 16 1HE LYS 16 2.990 -17.977 2.263 94 1HZ LYS 16 1HZ LYS 16 1.372 -19.668 2.728 95 2HZ LYS 16 2HZ LYS 16 0.367 -19.076 1.553 96 3HZ LYS 16 3HZ LYS 16 1.830 -19.730 1.138 97 H PHE 17 H PHE 17 4.605 -12.671 3.461 98 HA PHE 17 HA PHE 17 4.716 -12.235 0.562 99 1HB PHE 17 2HB PHE 17 5.391 -10.625 3.009 100 2HB PHE 17 1HB PHE 17 5.670 -10.032 1.384 101 HD1 PHE 17 HD1 PHE 17 2.902 -11.596 3.317 102 HD2 PHE 17 HD2 PHE 17 4.074 -8.628 0.535 103 HE1 PHE 17 HE1 PHE 17 0.545 -10.755 3.220 104 HE2 PHE 17 HE2 PHE 17 1.718 -7.786 0.440 105 HZ PHE 17 HZ PHE 17 -0.019 -8.862 1.782 106 H LYS 18 H LYS 18 6.385 -14.309 1.903 107 HA LYS 18 HA LYS 18 8.984 -13.743 2.351 108 1HB LYS 18 2HB LYS 18 7.580 -16.009 1.552 109 2HB LYS 18 1HB LYS 18 8.936 -15.882 0.449 110 1HG LYS 18 2HG LYS 18 9.249 -15.661 3.432 111 2HG LYS 18 1HG LYS 18 9.358 -17.190 2.584 112 1HD LYS 18 2HD LYS 18 11.503 -16.758 2.143 113 2HD LYS 18 1HD LYS 18 11.005 -15.375 1.190 114 1HE LYS 18 2HE LYS 18 10.953 -14.857 4.060 115 2HE LYS 18 1HE LYS 18 12.549 -15.273 3.469 116 1HZ LYS 18 1HZ LYS 18 12.326 -13.569 1.813 117 2HZ LYS 18 2HZ LYS 18 10.817 -13.176 2.372 118 3HZ LYS 18 3HZ LYS 18 12.145 -12.927 3.328 119 H TYR 19 H TYR 19 7.446 -12.214 0.100 120 HA TYR 19 HA TYR 19 9.053 -12.327 -2.242 121 1HB TYR 19 2HB TYR 19 7.130 -11.167 -2.599 122 2HB TYR 19 1HB TYR 19 7.075 -10.572 -0.952 123 HD1 TYR 19 HD1 TYR 19 7.102 -8.276 -0.778 124 HD2 TYR 19 HD2 TYR 19 9.341 -10.138 -3.897 125 HE1 TYR 19 HE1 TYR 19 7.893 -6.002 -1.577 126 HE2 TYR 19 HE2 TYR 19 10.125 -7.859 -4.686 127 HH TYR 19 HH TYR 19 10.034 -5.733 -4.350 128 H ASP 20 H ASP 20 11.099 -11.800 -2.530 129 HA ASP 20 HA ASP 20 12.389 -9.961 -0.595 130 1HB ASP 20 2HB ASP 20 13.386 -12.044 -2.479 131 2HB ASP 20 1HB ASP 20 14.456 -10.757 -1.959 132 H GLY 21 H GLY 21 11.864 -7.952 -1.273 133 1HA GLY 21 2HA GLY 21 13.085 -7.115 -3.819 134 2HA GLY 21 1HA GLY 21 11.371 -6.813 -3.620 135 H GLU 22 H GLU 22 12.246 -4.579 -3.992 136 HA GLU 22 HA GLU 22 13.335 -3.418 -1.503 137 1HB GLU 22 2HB GLU 22 14.553 -2.891 -3.555 138 2HB GLU 22 1HB GLU 22 13.101 -2.182 -4.231 139 1HG GLU 22 2HG GLU 22 13.250 -0.836 -1.895 140 2HG GLU 22 1HG GLU 22 14.952 -1.111 -2.206 141 H ILE 23 H ILE 23 11.571 -3.381 -0.204 142 HA ILE 23 HA ILE 23 9.054 -2.338 -1.080 143 HB ILE 23 HB ILE 23 10.109 -3.551 1.246 144 1HG1 ILE 23 2HG1 ILE 23 7.232 -3.011 0.637 145 2HG1 ILE 23 1HG1 ILE 23 8.169 -4.224 -0.213 146 1HG2 ILE 23 1HG2 ILE 23 10.125 -1.350 2.278 147 2HG2 ILE 23 2HG2 ILE 23 8.412 -1.103 1.790 148 3HG2 ILE 23 3HG2 ILE 23 8.831 -2.372 2.993 149 1HD1 ILE 23 1HG1 ILE 23 8.676 -5.362 1.924 150 2HD1 ILE 23 2HG1 ILE 23 7.714 -4.117 2.795 151 3HD1 ILE 23 3HG1 ILE 23 6.903 -5.240 1.649 152 H ARG 24 H ARG 24 8.812 -0.385 -1.799 153 HA ARG 24 HA ARG 24 9.509 1.847 -0.054 154 1HB ARG 24 2HB ARG 24 11.591 1.588 -1.301 155 2HB ARG 24 1HB ARG 24 10.703 1.651 -2.810 156 1HG ARG 24 2HG ARG 24 10.707 3.886 -2.788 157 2HG ARG 24 1HG ARG 24 10.036 3.917 -1.170 158 1HD ARG 24 2HD ARG 24 12.886 3.192 -1.330 159 2HD ARG 24 1HD ARG 24 12.508 4.839 -1.791 160 HE ARG 24 HE ARG 24 12.367 3.696 0.885 161 1HH1 ARG 24 2HH1 ARG 24 11.102 6.252 -1.243 162 2HH1 ARG 24 HH22 ARG 24 10.644 7.296 0.084 163 1HH2 ARG 24 1HH1 ARG 24 11.774 5.048 2.579 164 2HH2 ARG 24 2HH1 ARG 24 11.032 6.602 2.269 165 H VAL 25 H VAL 25 7.796 3.070 0.003 166 HA VAL 25 HA VAL 25 5.705 2.846 -1.929 167 HB VAL 25 HB VAL 25 5.231 3.390 0.353 168 1HG1 VAL 25 1HG1 VAL 25 7.266 4.609 0.924 169 2HG1 VAL 25 2HG1 VAL 25 6.749 5.968 -0.134 170 3HG1 VAL 25 3HG1 VAL 25 5.808 5.572 1.345 171 1HG2 VAL 25 1HG2 VAL 25 4.538 5.691 -1.493 172 2HG2 VAL 25 2HG2 VAL 25 3.623 4.154 -1.315 173 3HG2 VAL 25 3HG2 VAL 25 3.714 5.310 0.059 174 H LEU 26 H LEU 26 6.192 3.304 -3.959 175 HA LEU 26 HA LEU 26 7.645 5.785 -4.534 176 1HB LEU 26 2HB LEU 26 7.962 3.437 -5.627 177 2HB LEU 26 1HB LEU 26 6.668 3.996 -6.668 178 HG LEU 26 HG LEU 26 9.468 4.864 -6.490 179 1HD1 LEU 26 1HD1 LEU 26 8.773 3.405 -8.303 180 2HD1 LEU 26 2HD1 LEU 26 7.510 4.592 -8.781 181 3HD1 LEU 26 3HD1 LEU 26 9.250 5.017 -8.939 182 1HD2 LEU 26 1HD2 LEU 26 7.241 6.756 -7.278 183 2HD2 LEU 26 2HD2 LEU 26 8.336 6.920 -5.862 184 3HD2 LEU 26 3HD2 LEU 26 8.997 7.048 -7.529 185 H TYR 27 H TYR 27 4.566 4.231 -5.291 186 HA TYR 27 HA TYR 27 3.433 6.946 -5.813 187 1HB TYR 27 2HB TYR 27 2.098 5.915 -7.539 188 2HB TYR 27 1HB TYR 27 3.781 5.519 -7.825 189 HD1 TYR 27 HD1 TYR 27 4.622 3.229 -7.113 190 HD2 TYR 27 HD2 TYR 27 0.478 4.227 -7.305 191 HE1 TYR 27 HE1 TYR 27 4.025 0.765 -7.162 192 HE2 TYR 27 HE2 TYR 27 -0.107 1.759 -7.357 193 HH TYR 27 HH TYR 27 0.665 -0.252 -7.335 194 H SER 28 H SER 28 2.730 7.070 -3.636 195 HA SER 28 HA SER 28 1.062 5.024 -2.495 196 1HB SER 28 2HB SER 28 0.603 6.657 -0.737 197 2HB SER 28 1HB SER 28 2.319 6.524 -1.064 198 HG SER 28 HG SER 28 1.630 8.711 -0.871 199 H THR 29 H THR 29 -0.829 4.498 -3.266 200 HA THR 29 HA THR 29 -2.472 6.552 -4.570 201 HB THR 29 HB THR 29 -1.971 4.137 -5.454 202 HG1 THR 29 HG1 THR 29 -4.103 4.334 -6.397 203 1HG2 THR 29 1HG2 THR 29 -2.879 2.964 -3.375 204 2HG2 THR 29 2HG2 THR 29 -4.470 3.722 -3.733 205 3HG2 THR 29 3HG2 THR 29 -3.760 2.536 -4.883 206 H LYS 30 H LYS 30 -4.769 6.692 -4.123 207 HA LYS 30 HA LYS 30 -5.194 6.557 -1.206 208 1HB LYS 30 2HB LYS 30 -6.498 8.233 -3.318 209 2HB LYS 30 1HB LYS 30 -7.055 8.166 -1.658 210 1HG LYS 30 2HG LYS 30 -5.625 9.890 -1.353 211 2HG LYS 30 1HG LYS 30 -4.406 8.632 -1.292 212 1HD LYS 30 2HD LYS 30 -3.933 8.923 -3.654 213 2HD LYS 30 1HD LYS 30 -5.227 10.095 -3.797 214 1HE LYS 30 2HE LYS 30 -3.237 10.706 -1.723 215 2HE LYS 30 1HE LYS 30 -2.623 10.743 -3.363 216 1HZ LYS 30 1HZ LYS 30 -4.384 12.245 -3.937 217 2HZ LYS 30 2HZ LYS 30 -4.965 12.210 -2.387 218 3HZ LYS 30 3HZ LYS 30 -3.477 12.866 -2.700 219 H VAL 31 H VAL 31 -6.795 5.460 -0.266 220 HA VAL 31 HA VAL 31 -7.904 3.285 -1.784 221 HB VAL 31 HB VAL 31 -8.876 4.019 0.915 222 1HG1 VAL 31 1HG1 VAL 31 -9.826 2.042 -0.151 223 2HG1 VAL 31 2HG1 VAL 31 -8.173 1.377 -0.393 224 3HG1 VAL 31 3HG1 VAL 31 -8.826 1.580 1.270 225 1HG2 VAL 31 1HG2 VAL 31 -6.142 2.847 0.338 226 2HG2 VAL 31 2HG2 VAL 31 -6.482 4.463 1.051 227 3HG2 VAL 31 3HG2 VAL 31 -6.906 2.971 1.960 228 H THR 32 H THR 32 -9.643 3.215 -2.961 229 HA THR 32 HA THR 32 -11.379 5.532 -3.078 230 HB THR 32 HB THR 32 -11.080 2.987 -4.627 231 HG1 THR 32 HG1 THR 32 -10.834 4.701 -6.201 232 1HG2 THR 32 1HG2 THR 32 -13.589 3.411 -4.399 233 2HG2 THR 32 2HG2 THR 32 -13.287 5.078 -5.002 234 3HG2 THR 32 3HG2 THR 32 -12.968 3.665 -6.067 235 H THR 33 H THR 33 -13.326 5.844 -2.259 236 HA THR 33 HA THR 33 -14.223 4.537 -0.019 237 HB THR 33 HB THR 33 -15.068 6.718 -0.970 238 HG1 THR 33 HG1 THR 33 -17.174 6.194 -0.096 239 1HG2 THR 33 1HG2 THR 33 -15.682 5.816 -3.280 240 2HG2 THR 33 2HG2 THR 33 -16.941 4.817 -2.474 241 3HG2 THR 33 3HG2 THR 33 -17.054 6.611 -2.433 242 H SER 34 H SER 34 -14.220 3.377 -3.201 243 HA SER 34 HA SER 34 -16.271 1.343 -2.639 244 1HB SER 34 2HB SER 34 -15.479 2.649 -4.963 245 2HB SER 34 1HB SER 34 -14.905 1.004 -5.146 246 HG SER 34 HG SER 34 -17.054 1.274 -5.923 247 H ILE 35 H ILE 35 -13.407 1.667 -1.527 248 HA ILE 35 HA ILE 35 -12.038 -0.684 -2.439 249 HB ILE 35 HB ILE 35 -11.347 1.521 -1.015 250 1HG1 ILE 35 2HG1 ILE 35 -10.095 -0.519 -2.364 251 2HG1 ILE 35 1HG1 ILE 35 -9.334 0.918 -1.710 252 1HG2 ILE 35 1HG2 ILE 35 -12.215 0.626 1.070 253 2HG2 ILE 35 2HG2 ILE 35 -11.214 -0.852 0.859 254 3HG2 ILE 35 3HG2 ILE 35 -10.422 0.740 1.131 255 1HD1 ILE 35 1HG1 ILE 35 -8.901 -0.254 0.422 256 2HD1 ILE 35 2HG1 ILE 35 -9.683 -1.728 -0.248 257 3HD1 ILE 35 3HG1 ILE 35 -8.151 -1.117 -0.965 258 H THR 36 H THR 36 -11.317 -2.341 -0.721 259 HA THR 36 HA THR 36 -13.696 -3.773 -0.004 260 HB THR 36 HB THR 36 -11.765 -5.024 -0.712 261 HG1 THR 36 HG1 THR 36 -11.596 -6.304 1.241 262 1HG2 THR 36 1HG2 THR 36 -9.991 -3.369 0.091 263 2HG2 THR 36 2HG2 THR 36 -10.370 -3.892 1.769 264 3HG2 THR 36 3HG2 THR 36 -9.672 -5.065 0.598 265 H SER 37 H SER 37 -14.947 -3.487 1.656 266 HA SER 37 HA SER 37 -13.727 -2.388 4.131 267 1HB SER 37 2HB SER 37 -16.399 -1.850 4.358 268 2HB SER 37 1HB SER 37 -15.165 -0.702 3.880 269 HG SER 37 HG SER 37 -16.917 -0.775 2.390 270 H LYS 38 H LYS 38 -15.719 -4.774 2.637 271 HA LYS 38 HA LYS 38 -16.286 -5.962 5.285 272 1HB LYS 38 2HB LYS 38 -18.197 -6.907 4.457 273 2HB LYS 38 1HB LYS 38 -18.126 -5.423 3.528 274 1HG LYS 38 2HG LYS 38 -17.164 -6.591 1.644 275 2HG LYS 38 1HG LYS 38 -17.052 -8.072 2.574 276 1HD LYS 38 2HD LYS 38 -19.059 -8.595 1.712 277 2HD LYS 38 1HD LYS 38 -19.715 -7.389 2.801 278 1HE LYS 38 2HE LYS 38 -19.505 -5.683 1.063 279 2HE LYS 38 1HE LYS 38 -18.800 -6.861 -0.025 280 1HZ LYS 38 1HZ LYS 38 -20.833 -8.104 0.080 281 2HZ LYS 38 2HZ LYS 38 -21.500 -6.990 1.108 282 3HZ LYS 38 3HZ LYS 38 -21.127 -6.562 -0.447 283 H LYS 39 H LYS 39 -15.140 -6.715 2.033 284 HA LYS 39 HA LYS 39 -14.304 -9.362 2.712 285 1HB LYS 39 2HB LYS 39 -14.566 -7.906 0.380 286 2HB LYS 39 1HB LYS 39 -12.849 -8.232 0.500 287 1HG LYS 39 2HG LYS 39 -14.692 -10.482 1.070 288 2HG LYS 39 1HG LYS 39 -14.553 -9.968 -0.599 289 1HD LYS 39 2HD LYS 39 -12.084 -10.438 1.017 290 2HD LYS 39 1HD LYS 39 -12.938 -11.800 0.321 291 1HE LYS 39 2HE LYS 39 -12.748 -10.766 -1.907 292 2HE LYS 39 1HE LYS 39 -11.865 -9.427 -1.201 293 1HZ LYS 39 1HZ LYS 39 -10.184 -10.968 -0.498 294 2HZ LYS 39 2HZ LYS 39 -11.018 -12.233 -1.165 295 3HZ LYS 39 3HZ LYS 39 -10.392 -11.050 -2.139 296 H TRP 40 H TRP 40 -12.666 -10.062 3.816 297 HA TRP 40 HA TRP 40 -10.210 -8.460 3.914 298 1HB TRP 40 2HB TRP 40 -11.770 -9.203 6.361 299 2HB TRP 40 1HB TRP 40 -10.098 -8.682 6.387 300 HD1 TRP 40 HD1 TRP 40 -12.977 -7.148 7.470 301 HE1 TRP 40 HE1 TRP 40 -9.491 -6.936 3.790 302 HE3 TRP 40 HE3 TRP 40 -13.188 -4.617 6.965 303 HZ2 TRP 40 HZ2 TRP 40 -9.065 -4.731 2.718 304 HZ3 TRP 40 HZ3 TRP 40 -11.977 -2.771 5.182 305 HH2 TRP 40 HH2 TRP 40 -10.244 -2.694 3.359 306 H GLY 41 H GLY 41 -8.538 -9.701 3.597 307 1HA GLY 41 2HA GLY 41 -8.865 -12.611 4.141 308 2HA GLY 41 1HA GLY 41 -7.934 -11.963 2.806 309 H THR 42 H THR 42 -6.933 -13.795 4.667 310 HA THR 42 HA THR 42 -5.522 -12.662 6.811 311 HB THR 42 HB THR 42 -5.788 -15.072 6.564 312 HG1 THR 42 HG1 THR 42 -3.516 -15.503 6.923 313 1HG2 THR 42 1HG2 THR 42 -5.518 -15.177 4.026 314 2HG2 THR 42 2HG2 THR 42 -3.777 -14.798 4.270 315 3HG2 THR 42 3HG2 THR 42 -4.461 -16.334 4.908 316 H ARG 43 H ARG 43 -4.780 -12.831 3.398 317 HA ARG 43 HA ARG 43 -2.189 -11.500 3.857 318 1HB ARG 43 2HB ARG 43 -3.335 -13.130 1.721 319 2HB ARG 43 1HB ARG 43 -2.444 -11.734 1.150 320 1HG ARG 43 2HG ARG 43 -0.660 -12.551 2.900 321 2HG ARG 43 1HG ARG 43 -1.473 -14.090 2.697 322 1HD ARG 43 2HD ARG 43 -0.333 -12.438 0.444 323 2HD ARG 43 1HD ARG 43 0.455 -13.829 1.161 324 HE ARG 43 HE ARG 43 -2.236 -14.435 0.265 325 1HH1 ARG 43 2HH1 ARG 43 1.138 -14.112 -0.819 326 2HH1 ARG 43 HH22 ARG 43 0.924 -15.174 -2.192 327 1HH2 ARG 43 1HH1 ARG 43 -2.495 -15.798 -1.503 328 2HH2 ARG 43 2HH1 ARG 43 -1.158 -16.137 -2.578 329 H ASP 44 H ASP 44 -5.212 -10.527 3.822 330 HA ASP 44 HA ASP 44 -4.762 -8.176 2.064 331 1HB ASP 44 2HB ASP 44 -7.015 -9.791 2.553 332 2HB ASP 44 1HB ASP 44 -7.343 -8.232 3.281 333 H LEU 45 H LEU 45 -5.489 -6.090 2.871 334 HA LEU 45 HA LEU 45 -4.742 -5.819 5.707 335 1HB LEU 45 2HB LEU 45 -3.735 -4.523 3.655 336 2HB LEU 45 1HB LEU 45 -5.090 -3.461 3.981 337 HG LEU 45 HG LEU 45 -4.259 -3.258 6.306 338 1HD1 LEU 45 1HD1 LEU 45 -2.928 -5.286 6.450 339 2HD1 LEU 45 2HD1 LEU 45 -1.814 -4.650 5.191 340 3HD1 LEU 45 3HD1 LEU 45 -1.915 -3.841 6.793 341 1HD2 LEU 45 1HD2 LEU 45 -2.409 -2.310 4.106 342 2HD2 LEU 45 2HD2 LEU 45 -3.896 -1.483 4.687 343 3HD2 LEU 45 3HD2 LEU 45 -2.474 -1.645 5.776 344 H GLN 46 H GLN 46 -5.929 -4.567 7.160 345 HA GLN 46 HA GLN 46 -8.804 -4.791 6.658 346 1HB GLN 46 2HB GLN 46 -8.075 -5.614 8.776 347 2HB GLN 46 1HB GLN 46 -7.248 -4.111 9.132 348 1HG GLN 46 2HG GLN 46 -9.187 -3.005 9.645 349 2HG GLN 46 1HG GLN 46 -10.149 -3.959 8.534 350 1HE2 GLN 46 1HE2 GLN 46 -10.347 -6.305 9.081 351 2HE2 GLN 46 2HE2 GLN 46 -10.650 -6.716 10.755 352 H VAL 47 H VAL 47 -7.248 -2.865 5.183 353 HA VAL 47 HA VAL 47 -7.652 -0.258 6.250 354 HB VAL 47 HB VAL 47 -7.133 0.538 4.059 355 1HG1 VAL 47 1HG1 VAL 47 -5.261 -0.279 5.392 356 2HG1 VAL 47 2HG1 VAL 47 -5.510 -1.932 4.731 357 3HG1 VAL 47 3HG1 VAL 47 -4.985 -0.598 3.645 358 1HG2 VAL 47 1HG2 VAL 47 -7.524 -2.315 3.116 359 2HG2 VAL 47 2HG2 VAL 47 -8.579 -0.911 2.732 360 3HG2 VAL 47 3HG2 VAL 47 -6.891 -0.961 2.117 361 H LYS 48 H LYS 48 -9.099 1.385 5.423 362 HA LYS 48 HA LYS 48 -11.756 0.201 4.858 363 1HB LYS 48 2HB LYS 48 -12.552 2.441 5.900 364 2HB LYS 48 1HB LYS 48 -12.051 1.118 6.934 365 1HG LYS 48 2HG LYS 48 -9.973 3.053 6.065 366 2HG LYS 48 1HG LYS 48 -11.122 3.582 7.276 367 1HD LYS 48 2HD LYS 48 -9.566 1.019 7.517 368 2HD LYS 48 1HD LYS 48 -8.993 2.541 8.168 369 1HE LYS 48 2HE LYS 48 -11.625 2.325 9.068 370 2HE LYS 48 1HE LYS 48 -10.955 0.717 9.250 371 1HZ LYS 48 1HZ LYS 48 -9.128 1.667 10.455 372 2HZ LYS 48 2HZ LYS 48 -9.762 3.187 10.283 373 3HZ LYS 48 3HZ LYS 48 -10.563 2.053 11.185 374 HA PRO 49 HA PRO 49 -11.880 2.407 1.167 375 1HB PRO 49 2HB PRO 49 -14.594 2.778 0.861 376 2HB PRO 49 1HB PRO 49 -13.733 1.299 0.484 377 1HG PRO 49 2HG PRO 49 -15.508 1.879 2.737 378 2HG PRO 49 1HG PRO 49 -14.987 0.328 2.111 379 1HD PRO 49 2HD PRO 49 -14.040 1.643 4.444 380 2HD PRO 49 1HD PRO 49 -13.439 0.149 3.754 381 H GLY 50 H GLY 50 -11.457 4.416 0.602 382 1HA GLY 50 2HA GLY 50 -11.997 6.740 0.445 383 2HA GLY 50 1HA GLY 50 -12.937 6.614 1.918 384 H GLU 51 H GLU 51 -10.056 4.914 2.133 385 HA GLU 51 HA GLU 51 -8.862 7.113 3.713 386 1HB GLU 51 2HB GLU 51 -9.101 4.270 4.147 387 2HB GLU 51 1HB GLU 51 -7.441 4.813 4.289 388 1HG GLU 51 2HG GLU 51 -8.644 4.914 6.445 389 2HG GLU 51 1HG GLU 51 -8.096 6.493 5.920 390 H SER 52 H SER 52 -6.403 6.949 3.856 391 HA SER 52 HA SER 52 -5.340 6.483 1.123 392 1HB SER 52 2HB SER 52 -3.728 8.438 1.957 393 2HB SER 52 1HB SER 52 -5.199 8.737 1.052 394 HG SER 52 HG SER 52 -5.045 10.053 2.933 395 H LEU 53 H LEU 53 -3.630 5.242 0.974 396 HA LEU 53 HA LEU 53 -1.888 4.953 3.324 397 1HB LEU 53 2HB LEU 53 -3.592 3.196 3.465 398 2HB LEU 53 1HB LEU 53 -3.053 2.592 1.912 399 HG LEU 53 HG LEU 53 -0.902 2.053 2.846 400 1HD1 LEU 53 1HD1 LEU 53 -0.694 3.813 4.508 401 2HD1 LEU 53 2HD1 LEU 53 -2.014 3.064 5.473 402 3HD1 LEU 53 3HD1 LEU 53 -0.452 2.199 5.264 403 1HD2 LEU 53 1HD2 LEU 53 -3.197 0.921 4.463 404 2HD2 LEU 53 2HD2 LEU 53 -2.616 0.331 2.867 405 3HD2 LEU 53 3HD2 LEU 53 -1.561 0.189 4.316 406 H GLU 54 H GLU 54 0.131 3.794 2.810 407 HA GLU 54 HA GLU 54 1.184 4.903 0.352 408 1HB GLU 54 2HB GLU 54 2.274 3.795 2.801 409 2HB GLU 54 1HB GLU 54 3.166 3.307 1.375 410 1HG GLU 54 2HG GLU 54 4.221 5.287 1.594 411 2HG GLU 54 1HG GLU 54 2.763 5.969 0.901 412 H VAL 55 H VAL 55 1.583 3.975 -1.520 413 HA VAL 55 HA VAL 55 0.844 1.121 -1.750 414 HB VAL 55 HB VAL 55 0.653 3.448 -3.541 415 1HG1 VAL 55 1HG1 VAL 55 2.105 1.986 -4.845 416 2HG1 VAL 55 2HG1 VAL 55 0.968 0.619 -4.578 417 3HG1 VAL 55 3HG1 VAL 55 0.453 2.039 -5.553 418 1HG2 VAL 55 1HG2 VAL 55 -1.116 1.036 -3.059 419 2HG2 VAL 55 2HG2 VAL 55 -1.325 2.672 -2.344 420 3HG2 VAL 55 3HG2 VAL 55 -1.518 2.434 -4.116 421 H ILE 56 H ILE 56 2.263 -0.384 -2.194 422 HA ILE 56 HA ILE 56 5.038 0.483 -2.595 423 HB ILE 56 HB ILE 56 4.027 -2.272 -2.072 424 1HG1 ILE 56 2HG1 ILE 56 4.688 -0.067 -0.184 425 2HG1 ILE 56 1HG1 ILE 56 3.295 -1.130 -0.200 426 1HG2 ILE 56 1HG2 ILE 56 6.259 -2.243 -3.032 427 2HG2 ILE 56 2HG2 ILE 56 6.786 -1.062 -1.783 428 3HG2 ILE 56 3HG2 ILE 56 6.322 -2.732 -1.303 429 1HD1 ILE 56 1HG1 ILE 56 4.721 -3.048 0.434 430 2HD1 ILE 56 2HG1 ILE 56 6.151 -1.958 0.451 431 3HD1 ILE 56 3HG1 ILE 56 4.827 -1.722 1.645 432 H GLN 57 H GLN 57 5.365 -2.374 -3.733 433 HA GLN 57 HA GLN 57 5.063 -1.480 -6.522 434 1HB GLN 57 2HB GLN 57 7.246 -2.399 -5.582 435 2HB GLN 57 1HB GLN 57 6.468 -3.968 -5.642 436 1HG GLN 57 2HG GLN 57 6.293 -3.926 -7.977 437 2HG GLN 57 1HG GLN 57 6.518 -2.190 -8.052 438 1HE2 GLN 57 1HE2 GLN 57 8.593 -1.316 -7.400 439 2HE2 GLN 57 2HE2 GLN 57 10.049 -2.221 -7.748 440 H THR 58 H THR 58 4.265 -2.883 -8.158 441 HA THR 58 HA THR 58 1.774 -4.060 -7.402 442 HB THR 58 HB THR 58 1.849 -4.763 -9.902 443 HG1 THR 58 HG1 THR 58 3.648 -3.666 -10.922 444 1HG2 THR 58 1HG2 THR 58 0.812 -2.564 -9.117 445 2HG2 THR 58 2HG2 THR 58 2.449 -1.831 -9.248 446 3HG2 THR 58 3HG2 THR 58 1.617 -2.445 -10.720 447 H THR 59 H THR 59 1.331 -5.952 -6.605 448 HA THR 59 HA THR 59 3.264 -7.883 -6.008 449 HB THR 59 HB THR 59 0.287 -7.792 -6.040 450 HG1 THR 59 HG1 THR 59 0.880 -8.287 -3.830 451 1HG2 THR 59 1HG2 THR 59 0.871 -10.148 -6.837 452 2HG2 THR 59 2HG2 THR 59 1.941 -10.290 -5.399 453 3HG2 THR 59 3HG2 THR 59 0.165 -10.105 -5.184 454 H ASP 60 H ASP 60 0.622 -8.497 -8.280 455 HA ASP 60 HA ASP 60 2.495 -10.162 -9.874 456 1HB ASP 60 2HB ASP 60 0.631 -11.453 -9.260 457 2HB ASP 60 1HB ASP 60 -0.481 -10.135 -9.569 458 H ASP 61 H ASP 61 -0.546 -8.948 -11.019 459 HA ASP 61 HA ASP 61 0.906 -7.225 -12.971 460 1HB ASP 61 2HB ASP 61 -1.758 -8.540 -13.387 461 2HB ASP 61 1HB ASP 61 -0.785 -7.701 -14.579 462 H THR 62 H THR 62 -2.290 -7.767 -11.509 463 HA THR 62 HA THR 62 -2.579 -4.818 -11.313 464 HB THR 62 HB THR 62 -5.018 -6.507 -11.412 465 HG1 THR 62 HG1 THR 62 -4.633 -6.665 -13.715 466 1HG2 THR 62 1HG2 THR 62 -5.066 -3.955 -11.486 467 2HG2 THR 62 2HG2 THR 62 -4.106 -4.055 -13.003 468 3HG2 THR 62 3HG2 THR 62 -5.772 -4.728 -12.947 469 H LYS 63 H LYS 63 -1.311 -5.276 -9.314 470 HA LYS 63 HA LYS 63 -3.177 -5.323 -7.109 471 1HB LYS 63 2HB LYS 63 -2.843 -7.718 -7.437 472 2HB LYS 63 1HB LYS 63 -1.116 -7.499 -7.241 473 1HG LYS 63 2HG LYS 63 -1.292 -7.491 -5.008 474 2HG LYS 63 1HG LYS 63 -2.576 -6.300 -5.053 475 1HD LYS 63 2HD LYS 63 -4.162 -8.157 -5.629 476 2HD LYS 63 1HD LYS 63 -2.855 -9.285 -5.332 477 1HE LYS 63 2HE LYS 63 -3.155 -9.167 -3.113 478 2HE LYS 63 1HE LYS 63 -3.143 -7.415 -3.143 479 1HZ LYS 63 1HZ LYS 63 -5.437 -7.459 -3.794 480 2HZ LYS 63 2HZ LYS 63 -5.448 -9.114 -3.766 481 3HZ LYS 63 3HZ LYS 63 -5.228 -8.264 -2.362 482 H VAL 64 H VAL 64 -2.574 -3.990 -5.578 483 HA VAL 64 HA VAL 64 0.276 -3.167 -5.566 484 HB VAL 64 HB VAL 64 -0.296 -0.932 -5.305 485 1HG1 VAL 64 1HG1 VAL 64 -0.547 -1.686 -7.611 486 2HG1 VAL 64 2HG1 VAL 64 -2.266 -2.101 -7.288 487 3HG1 VAL 64 3HG1 VAL 64 -1.730 -0.386 -7.234 488 1HG2 VAL 64 1HG2 VAL 64 -3.167 -1.789 -4.856 489 2HG2 VAL 64 2HG2 VAL 64 -2.030 -1.171 -3.608 490 3HG2 VAL 64 3HG2 VAL 64 -2.583 -0.090 -4.934 491 H LEU 65 H LEU 65 1.312 -3.387 -3.742 492 HA LEU 65 HA LEU 65 -0.237 -4.223 -1.401 493 1HB LEU 65 2HB LEU 65 1.433 -5.648 -1.293 494 2HB LEU 65 1HB LEU 65 2.407 -4.709 -2.406 495 HG LEU 65 HG LEU 65 2.792 -3.228 -0.294 496 1HD1 LEU 65 1HD1 LEU 65 1.262 -4.402 1.185 497 2HD1 LEU 65 2HD1 LEU 65 2.179 -5.927 0.931 498 3HD1 LEU 65 3HD1 LEU 65 2.951 -4.545 1.783 499 1HD2 LEU 65 1HD2 LEU 65 4.210 -5.859 -0.768 500 2HD2 LEU 65 2HD2 LEU 65 4.562 -4.292 -1.574 501 3HD2 LEU 65 3HD2 LEU 65 4.858 -4.482 0.189 502 H CYS 66 H CYS 66 -0.816 -2.962 0.164 503 HA CYS 66 HA CYS 66 0.255 -0.230 0.209 504 1HB CYS 66 2HB CYS 66 -1.938 -1.369 1.917 505 2HB CYS 66 1HB CYS 66 -1.553 0.323 1.676 506 HG CYS 66 HG CYS 66 -3.897 -0.271 0.129 507 H ARG 67 H ARG 67 0.939 0.760 2.199 508 HA ARG 67 HA ARG 67 2.066 -1.183 4.132 509 1HB ARG 67 2HB ARG 67 3.681 -0.084 2.307 510 2HB ARG 67 1HB ARG 67 3.702 1.193 3.506 511 1HG ARG 67 2HG ARG 67 4.248 -0.592 5.217 512 2HG ARG 67 1HG ARG 67 4.500 -1.684 3.871 513 1HD ARG 67 2HD ARG 67 6.523 -0.811 3.426 514 2HD ARG 67 1HD ARG 67 5.913 0.829 3.513 515 HE ARG 67 HE ARG 67 7.398 -0.519 5.547 516 1HH1 ARG 67 2HH1 ARG 67 4.592 1.635 5.174 517 2HH1 ARG 67 HH22 ARG 67 4.767 2.336 6.767 518 1HH2 ARG 67 1HH1 ARG 67 7.612 0.390 7.590 519 2HH2 ARG 67 2HH1 ARG 67 6.498 1.620 8.146 520 H ASN 68 H ASN 68 2.234 -0.512 6.225 521 HA ASN 68 HA ASN 68 0.833 2.048 6.817 522 1HB ASN 68 2HB ASN 68 1.023 -0.534 8.345 523 2HB ASN 68 1HB ASN 68 0.501 0.960 9.097 524 1HD2 ASN 68 1HD2 ASN 68 -1.575 1.143 9.286 525 2HD2 ASN 68 2HD2 ASN 68 -2.786 0.577 8.158 526 H GLU 69 H GLU 69 1.800 3.554 8.024 527 HA GLU 69 HA GLU 69 4.583 3.580 8.307 528 1HB GLU 69 2HB GLU 69 2.374 5.247 9.200 529 2HB GLU 69 1HB GLU 69 3.759 5.292 10.271 530 1HG GLU 69 2HG GLU 69 4.207 5.541 7.335 531 2HG GLU 69 1HG GLU 69 3.604 6.930 8.217 532 H GLU 70 H GLU 70 2.220 1.982 10.140 533 HA GLU 70 HA GLU 70 3.766 1.817 12.580 534 1HB GLU 70 2HB GLU 70 1.193 1.581 12.245 535 2HB GLU 70 1HB GLU 70 1.585 -0.099 11.939 536 1HG GLU 70 2HG GLU 70 1.054 0.231 14.297 537 2HG GLU 70 1HG GLU 70 2.737 -0.217 14.110 538 H GLY 71 H GLY 71 4.166 0.544 9.594 539 1HA GLY 71 2HA GLY 71 5.867 -0.955 8.972 540 2HA GLY 71 1HA GLY 71 5.981 -1.515 10.629 541 H LYS 72 H LYS 72 2.860 -1.236 9.229 542 HA LYS 72 HA LYS 72 2.724 -4.186 9.054 543 1HB LYS 72 2HB LYS 72 1.262 -2.815 10.695 544 2HB LYS 72 1HB LYS 72 0.299 -2.480 9.270 545 1HG LYS 72 2HG LYS 72 0.784 -5.219 9.158 546 2HG LYS 72 1HG LYS 72 0.454 -4.898 10.849 547 1HD LYS 72 2HD LYS 72 -1.336 -3.676 8.811 548 2HD LYS 72 1HD LYS 72 -1.506 -5.388 9.141 549 1HE LYS 72 2HE LYS 72 -2.694 -4.903 10.970 550 2HE LYS 72 1HE LYS 72 -1.307 -4.066 11.638 551 1HZ LYS 72 1HZ LYS 72 -2.004 -2.095 10.489 552 2HZ LYS 72 2HZ LYS 72 -3.315 -2.885 9.859 553 3HZ LYS 72 3HZ LYS 72 -3.207 -2.634 11.492 554 H TYR 73 H TYR 73 2.561 -5.119 7.187 555 HA TYR 73 HA TYR 73 1.883 -3.428 4.833 556 1HB TYR 73 2HB TYR 73 3.386 -6.007 5.236 557 2HB TYR 73 1HB TYR 73 3.016 -5.352 3.653 558 HD1 TYR 73 HD1 TYR 73 4.591 -4.273 6.866 559 HD2 TYR 73 HD2 TYR 73 4.639 -4.087 2.602 560 HE1 TYR 73 HE1 TYR 73 6.707 -2.877 6.943 561 HE2 TYR 73 HE2 TYR 73 6.755 -2.692 2.694 562 HH TYR 73 HH TYR 73 8.221 -1.766 3.974 563 H GLY 74 H GLY 74 0.540 -4.255 3.195 564 1HA GLY 74 2HA GLY 74 -0.948 -6.721 3.674 565 2HA GLY 74 1HA GLY 74 -1.894 -5.254 3.830 566 H TYR 75 H TYR 75 -2.421 -7.248 1.947 567 HA TYR 75 HA TYR 75 -1.468 -6.113 -0.628 568 1HB TYR 75 2HB TYR 75 -2.607 -8.683 0.366 569 2HB TYR 75 1HB TYR 75 -2.818 -8.274 -1.325 570 HD1 TYR 75 HD1 TYR 75 -0.226 -6.943 -1.893 571 HD2 TYR 75 HD2 TYR 75 -1.112 -10.491 0.307 572 HE1 TYR 75 HE1 TYR 75 2.092 -7.840 -2.395 573 HE2 TYR 75 HE2 TYR 75 1.209 -11.378 -0.203 574 HH TYR 75 HH TYR 75 3.087 -10.986 -1.186 575 H VAL 76 H VAL 76 -2.933 -5.636 -2.298 576 HA VAL 76 HA VAL 76 -5.773 -5.451 -1.565 577 HB VAL 76 HB VAL 76 -4.449 -3.059 -2.723 578 1HG1 VAL 76 1HG1 VAL 76 -6.879 -3.171 -2.886 579 2HG1 VAL 76 2HG1 VAL 76 -6.986 -3.438 -1.111 580 3HG1 VAL 76 3HG1 VAL 76 -6.376 -1.872 -1.749 581 1HG2 VAL 76 1HG2 VAL 76 -4.758 -3.639 0.235 582 2HG2 VAL 76 2HG2 VAL 76 -3.210 -3.502 -0.669 583 3HG2 VAL 76 3HG2 VAL 76 -4.269 -2.062 -0.476 584 H LEU 77 H LEU 77 -7.003 -6.171 -3.113 585 HA LEU 77 HA LEU 77 -5.798 -6.804 -5.670 586 1HB LEU 77 2HB LEU 77 -7.679 -8.005 -4.202 587 2HB LEU 77 1HB LEU 77 -8.682 -7.137 -5.346 588 HG LEU 77 HG LEU 77 -6.760 -9.339 -5.819 589 1HD1 LEU 77 1HD1 LEU 77 -9.078 -9.946 -5.428 590 2HD1 LEU 77 2HD1 LEU 77 -9.598 -8.834 -6.741 591 3HD1 LEU 77 3HD1 LEU 77 -8.616 -10.289 -7.131 592 1HD2 LEU 77 1HD2 LEU 77 -7.717 -7.396 -7.933 593 2HD2 LEU 77 2HD2 LEU 77 -6.026 -7.613 -7.362 594 3HD2 LEU 77 3HD2 LEU 77 -6.853 -8.941 -8.248 595 H ARG 78 H ARG 78 -6.231 -5.981 -7.652 596 HA ARG 78 HA ARG 78 -6.711 -3.213 -7.805 597 1HB ARG 78 2HB ARG 78 -6.708 -3.455 -10.164 598 2HB ARG 78 1HB ARG 78 -5.590 -4.654 -9.546 599 1HG ARG 78 2HG ARG 78 -6.767 -6.290 -10.507 600 2HG ARG 78 1HG ARG 78 -8.207 -5.793 -9.641 601 1HD ARG 78 2HD ARG 78 -8.118 -3.891 -11.561 602 2HD ARG 78 1HD ARG 78 -7.397 -5.238 -12.420 603 HE ARG 78 HE ARG 78 -9.828 -5.970 -10.996 604 1HH1 ARG 78 2HH1 ARG 78 -8.552 -4.610 -14.025 605 2HH1 ARG 78 HH22 ARG 78 -9.963 -5.054 -14.959 606 1HH2 ARG 78 1HH1 ARG 78 -11.634 -6.534 -12.206 607 2HH2 ARG 78 2HH1 ARG 78 -11.725 -6.156 -13.912 608 H SER 79 H SER 79 -8.858 -5.868 -7.589 609 HA SER 79 HA SER 79 -11.147 -4.961 -8.869 610 1HB SER 79 2HB SER 79 -11.196 -7.117 -7.906 611 2HB SER 79 1HB SER 79 -10.842 -6.489 -6.310 612 HG SER 79 HG SER 79 -13.067 -7.018 -6.569 613 H TYR 80 H TYR 80 -10.332 -4.433 -5.452 614 HA TYR 80 HA TYR 80 -12.020 -1.968 -5.525 615 1HB TYR 80 2HB TYR 80 -12.136 -2.456 -3.032 616 2HB TYR 80 1HB TYR 80 -12.982 -3.579 -4.077 617 HD1 TYR 80 HD1 TYR 80 -10.024 -3.114 -1.937 618 HD2 TYR 80 HD2 TYR 80 -12.311 -5.876 -4.252 619 HE1 TYR 80 HE1 TYR 80 -8.741 -5.048 -0.911 620 HE2 TYR 80 HE2 TYR 80 -11.020 -7.799 -3.219 621 HH TYR 80 HH TYR 80 -9.468 -8.358 -1.834 622 H LEU 81 H LEU 81 -10.165 -0.770 -6.279 623 HA LEU 81 HA LEU 81 -8.698 0.367 -4.103 624 1HB LEU 81 2HB LEU 81 -7.070 -1.135 -4.034 625 2HB LEU 81 1HB LEU 81 -7.433 -1.753 -5.633 626 HG LEU 81 HG LEU 81 -6.315 0.444 -6.418 627 1HD1 LEU 81 1HD1 LEU 81 -6.093 1.496 -4.239 628 2HD1 LEU 81 2HD1 LEU 81 -5.089 0.117 -3.669 629 3HD1 LEU 81 3HD1 LEU 81 -4.474 1.202 -4.965 630 1HD2 LEU 81 1HD2 LEU 81 -4.722 -1.898 -5.350 631 2HD2 LEU 81 2HD2 LEU 81 -5.497 -1.777 -6.967 632 3HD2 LEU 81 3HD2 LEU 81 -4.131 -0.689 -6.542 633 H ALA 82 H ALA 82 -6.995 1.946 -4.989 634 HA ALA 82 HA ALA 82 -8.404 3.549 -6.962 635 1HB ALA 82 1HB ALA 82 -7.421 4.610 -4.985 636 2HB ALA 82 2HB ALA 82 -5.795 4.028 -5.487 637 3HB ALA 82 3HB ALA 82 -6.665 5.240 -6.490 638 H ASP 83 H ASP 83 -6.946 4.697 -8.634 639 HA ASP 83 HA ASP 83 -6.234 2.806 -10.592 640 1HB ASP 83 2HB ASP 83 -5.984 5.681 -10.240 641 2HB ASP 83 1HB ASP 83 -4.676 4.991 -11.180 Start of MODEL 3 1 H GLU 7 H1 GLU 7 6.581 -6.469 16.607 2 HA GLU 7 HA GLU 7 7.989 -5.574 14.979 3 1HB GLU 7 2HB GLU 7 10.281 -6.684 14.779 4 2HB GLU 7 1HB GLU 7 10.084 -5.436 15.992 5 1HG GLU 7 2HG GLU 7 10.701 -6.875 17.583 6 2HG GLU 7 1HG GLU 7 9.360 -7.922 17.164 7 H LYS 8 H LYS 8 6.721 -8.333 16.158 8 HA LYS 8 HA LYS 8 7.424 -10.207 14.130 9 1HB LYS 8 2HB LYS 8 6.049 -11.659 15.189 10 2HB LYS 8 1HB LYS 8 6.245 -10.488 16.477 11 1HG LYS 8 2HG LYS 8 3.955 -10.661 16.456 12 2HG LYS 8 1HG LYS 8 4.164 -9.360 15.301 13 1HD LYS 8 2HD LYS 8 3.404 -10.609 13.589 14 2HD LYS 8 1HD LYS 8 4.319 -12.015 14.095 15 1HE LYS 8 2HE LYS 8 1.890 -11.182 15.629 16 2HE LYS 8 1HE LYS 8 1.718 -12.108 14.151 17 1HZ LYS 8 1HZ LYS 8 3.144 -13.776 15.087 18 2HZ LYS 8 2HZ LYS 8 3.307 -12.901 16.483 19 3HZ LYS 8 3HZ LYS 8 1.832 -13.525 16.064 20 H GLU 9 H GLU 9 5.638 -7.395 14.080 21 HA GLU 9 HA GLU 9 3.615 -8.039 12.207 22 1HB GLU 9 2HB GLU 9 3.520 -5.637 11.746 23 2HB GLU 9 1HB GLU 9 3.560 -5.971 13.466 24 1HG GLU 9 2HG GLU 9 6.010 -5.545 13.444 25 2HG GLU 9 1HG GLU 9 5.882 -5.091 11.756 26 H GLU 10 H GLU 10 6.941 -6.953 11.818 27 HA GLU 10 HA GLU 10 6.800 -6.831 8.954 28 1HB GLU 10 2HB GLU 10 8.465 -5.513 10.001 29 2HB GLU 10 1HB GLU 10 9.118 -6.899 10.853 30 1HG GLU 10 2HG GLU 10 10.595 -6.483 9.037 31 2HG GLU 10 1HG GLU 10 9.652 -7.890 8.587 32 H LYS 11 H LYS 11 7.730 -9.254 11.302 33 HA LYS 11 HA LYS 11 8.738 -11.099 9.349 34 1HB LYS 11 2HB LYS 11 7.942 -11.445 12.215 35 2HB LYS 11 1HB LYS 11 8.598 -12.741 11.236 36 1HG LYS 11 2HG LYS 11 10.000 -10.106 11.620 37 2HG LYS 11 1HG LYS 11 10.282 -11.497 12.648 38 1HD LYS 11 2HD LYS 11 11.710 -12.337 11.152 39 2HD LYS 11 1HD LYS 11 10.456 -12.331 9.928 40 1HE LYS 11 2HE LYS 11 12.219 -10.999 9.059 41 2HE LYS 11 1HE LYS 11 10.985 -9.872 9.588 42 1HZ LYS 11 1HZ LYS 11 12.206 -9.561 11.614 43 2HZ LYS 11 2HZ LYS 11 13.372 -10.626 11.114 44 3HZ LYS 11 3HZ LYS 11 13.155 -9.197 10.307 45 H ASP 12 H ASP 12 5.650 -10.480 10.851 46 HA ASP 12 HA ASP 12 4.273 -12.791 9.972 47 1HB ASP 12 2HB ASP 12 3.294 -11.244 11.567 48 2HB ASP 12 1HB ASP 12 3.263 -9.985 10.350 49 H PHE 13 H PHE 13 4.796 -9.624 8.491 50 HA PHE 13 HA PHE 13 3.278 -10.131 6.117 51 1HB PHE 13 2HB PHE 13 3.663 -7.902 6.433 52 2HB PHE 13 1HB PHE 13 5.247 -8.173 7.129 53 HD1 PHE 13 HD1 PHE 13 3.381 -7.646 4.054 54 HD2 PHE 13 HD2 PHE 13 7.208 -8.349 5.721 55 HE1 PHE 13 HE1 PHE 13 4.447 -6.980 1.888 56 HE2 PHE 13 HE2 PHE 13 8.273 -7.680 3.556 57 HZ PHE 13 HZ PHE 13 6.880 -7.005 1.666 58 H ARG 14 H ARG 14 6.766 -10.142 6.798 59 HA ARG 14 HA ARG 14 7.600 -10.974 4.232 60 1HB ARG 14 2HB ARG 14 9.360 -10.210 5.503 61 2HB ARG 14 1HB ARG 14 8.823 -11.055 6.941 62 1HG ARG 14 2HG ARG 14 9.589 -13.151 6.097 63 2HG ARG 14 1HG ARG 14 9.869 -12.477 4.504 64 1HD ARG 14 2HD ARG 14 11.340 -10.984 6.471 65 2HD ARG 14 1HD ARG 14 11.717 -12.690 6.609 66 HE ARG 14 HE ARG 14 12.652 -12.675 4.437 67 1HH1 ARG 14 2HH1 ARG 14 11.198 -9.530 5.243 68 2HH1 ARG 14 HH22 ARG 14 11.951 -8.702 3.899 69 1HH2 ARG 14 1HH1 ARG 14 13.613 -11.599 2.715 70 2HH2 ARG 14 2HH1 ARG 14 13.333 -9.892 2.455 71 H LYS 15 H LYS 15 6.323 -12.704 6.951 72 HA LYS 15 HA LYS 15 7.175 -15.296 6.340 73 1HB LYS 15 2HB LYS 15 6.173 -15.299 8.358 74 2HB LYS 15 1HB LYS 15 4.951 -14.140 7.875 75 1HG LYS 15 2HG LYS 15 4.819 -16.785 6.568 76 2HG LYS 15 1HG LYS 15 4.427 -16.749 8.275 77 1HD LYS 15 2HD LYS 15 3.149 -14.555 6.937 78 2HD LYS 15 1HD LYS 15 2.754 -16.057 6.126 79 1HE LYS 15 2HE LYS 15 2.518 -15.691 9.105 80 2HE LYS 15 1HE LYS 15 1.190 -15.401 7.999 81 1HZ LYS 15 1HZ LYS 15 1.378 -17.660 7.258 82 2HZ LYS 15 2HZ LYS 15 2.633 -17.934 8.303 83 3HZ LYS 15 3HZ LYS 15 1.120 -17.609 8.893 84 H LYS 16 H LYS 16 4.103 -13.771 5.428 85 HA LYS 16 HA LYS 16 3.688 -15.826 3.402 86 1HB LYS 16 2HB LYS 16 1.911 -14.699 4.926 87 2HB LYS 16 1HB LYS 16 1.916 -13.461 3.686 88 1HG LYS 16 2HG LYS 16 0.192 -15.075 3.172 89 2HG LYS 16 1HG LYS 16 1.477 -15.221 1.989 90 1HD LYS 16 2HD LYS 16 2.181 -16.957 4.067 91 2HD LYS 16 1HD LYS 16 0.463 -17.197 3.823 92 1HE LYS 16 2HE LYS 16 1.564 -18.721 2.362 93 2HE LYS 16 1HE LYS 16 0.965 -17.421 1.352 94 1HZ LYS 16 1HZ LYS 16 3.139 -16.439 1.410 95 2HZ LYS 16 2HZ LYS 16 3.705 -17.668 2.364 96 3HZ LYS 16 3HZ LYS 16 3.218 -17.982 0.812 97 H PHE 17 H PHE 17 4.707 -12.520 3.660 98 HA PHE 17 HA PHE 17 4.705 -12.116 0.753 99 1HB PHE 17 2HB PHE 17 5.518 -10.512 3.159 100 2HB PHE 17 1HB PHE 17 5.790 -9.943 1.524 101 HD1 PHE 17 HD1 PHE 17 2.986 -11.395 3.494 102 HD2 PHE 17 HD2 PHE 17 4.248 -8.457 0.721 103 HE1 PHE 17 HE1 PHE 17 0.666 -10.455 3.436 104 HE2 PHE 17 HE2 PHE 17 1.929 -7.517 0.661 105 HZ PHE 17 HZ PHE 17 0.165 -8.527 2.019 106 H LYS 18 H LYS 18 6.346 -14.252 1.978 107 HA LYS 18 HA LYS 18 8.976 -13.813 2.351 108 1HB LYS 18 2HB LYS 18 9.427 -15.913 1.050 109 2HB LYS 18 1HB LYS 18 8.211 -16.037 2.306 110 1HG LYS 18 2HG LYS 18 6.966 -16.989 0.676 111 2HG LYS 18 1HG LYS 18 6.676 -15.333 0.185 112 1HD LYS 18 2HD LYS 18 9.011 -15.805 -1.085 113 2HD LYS 18 1HD LYS 18 8.322 -17.415 -1.095 114 1HE LYS 18 2HE LYS 18 7.704 -16.143 -3.115 115 2HE LYS 18 1HE LYS 18 6.298 -16.568 -2.160 116 1HZ LYS 18 1HZ LYS 18 6.332 -14.375 -1.221 117 2HZ LYS 18 2HZ LYS 18 7.661 -13.973 -2.124 118 3HZ LYS 18 3HZ LYS 18 6.218 -14.295 -2.871 119 H TYR 19 H TYR 19 7.411 -12.166 0.178 120 HA TYR 19 HA TYR 19 8.981 -12.246 -2.194 121 1HB TYR 19 2HB TYR 19 7.063 -11.055 -2.487 122 2HB TYR 19 1HB TYR 19 7.049 -10.491 -0.828 123 HD1 TYR 19 HD1 TYR 19 9.275 -10.036 -3.802 124 HD2 TYR 19 HD2 TYR 19 7.107 -8.198 -0.619 125 HE1 TYR 19 HE1 TYR 19 10.078 -7.754 -4.563 126 HE2 TYR 19 HE2 TYR 19 7.918 -5.922 -1.390 127 HH TYR 19 HH TYR 19 9.102 -4.853 -2.839 128 H ASP 20 H ASP 20 11.029 -11.737 -2.498 129 HA ASP 20 HA ASP 20 12.370 -9.968 -0.533 130 1HB ASP 20 2HB ASP 20 13.309 -12.016 -2.483 131 2HB ASP 20 1HB ASP 20 14.405 -10.754 -1.958 132 H GLY 21 H GLY 21 11.854 -7.936 -1.153 133 1HA GLY 21 2HA GLY 21 13.060 -7.040 -3.685 134 2HA GLY 21 1HA GLY 21 11.349 -6.733 -3.468 135 H GLU 22 H GLU 22 12.230 -4.496 -3.786 136 HA GLU 22 HA GLU 22 13.318 -3.409 -1.259 137 1HB GLU 22 2HB GLU 22 13.612 -1.316 -2.717 138 2HB GLU 22 1HB GLU 22 14.695 -2.670 -2.974 139 1HG GLU 22 2HG GLU 22 13.685 -3.268 -4.974 140 2HG GLU 22 1HG GLU 22 12.171 -2.491 -4.559 141 H ILE 23 H ILE 23 11.543 -3.347 0.016 142 HA ILE 23 HA ILE 23 9.041 -2.300 -0.858 143 HB ILE 23 HB ILE 23 10.083 -3.485 1.459 144 1HG1 ILE 23 2HG1 ILE 23 7.210 -2.806 1.156 145 2HG1 ILE 23 1HG1 ILE 23 7.967 -3.890 0.007 146 1HG2 ILE 23 1HG2 ILE 23 10.275 -1.280 2.460 147 2HG2 ILE 23 2HG2 ILE 23 8.562 -0.933 2.039 148 3HG2 ILE 23 3HG2 ILE 23 8.951 -2.214 3.240 149 1HD1 ILE 23 1HG1 ILE 23 8.711 -5.360 1.851 150 2HD1 ILE 23 2HG1 ILE 23 7.933 -4.248 3.029 151 3HD1 ILE 23 3HG1 ILE 23 6.924 -5.158 1.852 152 H ARG 24 H ARG 24 8.805 -0.374 -1.652 153 HA ARG 24 HA ARG 24 9.493 1.919 0.014 154 1HB ARG 24 2HB ARG 24 11.491 1.272 -1.580 155 2HB ARG 24 1HB ARG 24 10.507 2.100 -2.770 156 1HG ARG 24 2HG ARG 24 10.904 3.460 -0.168 157 2HG ARG 24 1HG ARG 24 12.283 3.385 -1.246 158 1HD ARG 24 2HD ARG 24 10.656 4.255 -3.051 159 2HD ARG 24 1HD ARG 24 9.622 4.691 -1.706 160 HE ARG 24 HE ARG 24 12.118 5.728 -1.043 161 1HH1 ARG 24 2HH1 ARG 24 9.838 6.130 -3.745 162 2HH1 ARG 24 HH22 ARG 24 10.337 7.773 -4.079 163 1HH2 ARG 24 1HH1 ARG 24 12.749 7.840 -1.483 164 2HH2 ARG 24 2HH1 ARG 24 12.005 8.747 -2.780 165 H VAL 25 H VAL 25 7.728 3.066 0.047 166 HA VAL 25 HA VAL 25 5.680 2.798 -1.920 167 HB VAL 25 HB VAL 25 5.149 3.360 0.339 168 1HG1 VAL 25 1HG1 VAL 25 7.165 4.592 0.949 169 2HG1 VAL 25 2HG1 VAL 25 6.664 5.944 -0.126 170 3HG1 VAL 25 3HG1 VAL 25 5.692 5.550 1.334 171 1HG2 VAL 25 1HG2 VAL 25 4.485 5.651 -1.531 172 2HG2 VAL 25 2HG2 VAL 25 3.574 4.110 -1.367 173 3HG2 VAL 25 3HG2 VAL 25 3.630 5.272 0.004 174 H LEU 26 H LEU 26 6.219 3.231 -3.946 175 HA LEU 26 HA LEU 26 7.616 5.746 -4.522 176 1HB LEU 26 2HB LEU 26 8.043 3.392 -5.561 177 2HB LEU 26 1HB LEU 26 6.762 3.887 -6.650 178 HG LEU 26 HG LEU 26 9.525 4.850 -6.412 179 1HD1 LEU 26 1HD1 LEU 26 8.922 3.345 -8.222 180 2HD1 LEU 26 2HD1 LEU 26 7.636 4.486 -8.749 181 3HD1 LEU 26 3HD1 LEU 26 9.365 4.963 -8.868 182 1HD2 LEU 26 1HD2 LEU 26 7.262 6.661 -7.285 183 2HD2 LEU 26 2HD2 LEU 26 8.315 6.879 -5.844 184 3HD2 LEU 26 3HD2 LEU 26 9.015 7.004 -7.495 185 H TYR 27 H TYR 27 4.603 4.084 -5.311 186 HA TYR 27 HA TYR 27 3.411 6.749 -5.946 187 1HB TYR 27 2HB TYR 27 2.138 5.621 -7.661 188 2HB TYR 27 1HB TYR 27 3.837 5.265 -7.901 189 HD1 TYR 27 HD1 TYR 27 4.735 3.026 -7.189 190 HD2 TYR 27 HD2 TYR 27 0.558 3.896 -7.305 191 HE1 TYR 27 HE1 TYR 27 4.211 0.545 -7.166 192 HE2 TYR 27 HE2 TYR 27 0.048 1.411 -7.282 193 HH TYR 27 HH TYR 27 0.882 -0.575 -7.233 194 H SER 28 H SER 28 2.673 6.917 -3.778 195 HA SER 28 HA SER 28 1.024 4.868 -2.613 196 1HB SER 28 2HB SER 28 0.491 6.554 -0.914 197 2HB SER 28 1HB SER 28 2.216 6.411 -1.186 198 HG SER 28 HG SER 28 1.525 8.603 -1.079 199 H THR 29 H THR 29 -0.832 4.283 -3.430 200 HA THR 29 HA THR 29 -2.470 6.220 -4.878 201 HB THR 29 HB THR 29 -2.004 3.729 -5.507 202 HG1 THR 29 HG1 THR 29 -4.149 3.831 -6.439 203 1HG2 THR 29 1HG2 THR 29 -2.888 2.781 -3.305 204 2HG2 THR 29 2HG2 THR 29 -4.482 3.500 -3.722 205 3HG2 THR 29 3HG2 THR 29 -3.787 2.198 -4.749 206 H LYS 30 H LYS 30 -4.744 6.492 -4.459 207 HA LYS 30 HA LYS 30 -5.211 6.603 -1.544 208 1HB LYS 30 2HB LYS 30 -5.628 8.479 -3.634 209 2HB LYS 30 1HB LYS 30 -7.168 8.102 -2.889 210 1HG LYS 30 2HG LYS 30 -6.291 8.651 -0.699 211 2HG LYS 30 1HG LYS 30 -4.692 8.905 -1.370 212 1HD LYS 30 2HD LYS 30 -5.281 11.069 -1.530 213 2HD LYS 30 1HD LYS 30 -6.258 10.571 -2.896 214 1HE LYS 30 2HE LYS 30 -7.608 10.104 -0.371 215 2HE LYS 30 1HE LYS 30 -7.182 11.790 -0.584 216 1HZ LYS 30 1HZ LYS 30 -8.263 11.745 -2.710 217 2HZ LYS 30 2HZ LYS 30 -8.666 10.151 -2.508 218 3HZ LYS 30 3HZ LYS 30 -9.321 11.303 -1.515 219 H VAL 31 H VAL 31 -6.820 5.589 -0.567 220 HA VAL 31 HA VAL 31 -8.121 3.483 -2.059 221 HB VAL 31 HB VAL 31 -8.885 4.180 0.710 222 1HG1 VAL 31 1HG1 VAL 31 -9.959 2.264 -0.351 223 2HG1 VAL 31 2HG1 VAL 31 -8.345 1.553 -0.702 224 3HG1 VAL 31 3HG1 VAL 31 -8.898 1.731 0.999 225 1HG2 VAL 31 1HG2 VAL 31 -6.229 2.936 -0.049 226 2HG2 VAL 31 2HG2 VAL 31 -6.473 4.541 0.723 227 3HG2 VAL 31 3HG2 VAL 31 -6.897 3.040 1.617 228 H THR 32 H THR 32 -9.923 3.573 -3.133 229 HA THR 32 HA THR 32 -11.514 5.987 -3.075 230 HB THR 32 HB THR 32 -10.995 4.626 -5.145 231 HG1 THR 32 HG1 THR 32 -13.203 4.992 -5.829 232 1HG2 THR 32 1HG2 THR 32 -11.567 2.345 -4.147 233 2HG2 THR 32 2HG2 THR 32 -13.269 2.910 -4.023 234 3HG2 THR 32 3HG2 THR 32 -12.498 2.730 -5.636 235 H THR 33 H THR 33 -14.016 5.570 -3.193 236 HA THR 33 HA THR 33 -14.705 4.660 -0.520 237 HB THR 33 HB THR 33 -15.688 6.730 -1.326 238 HG1 THR 33 HG1 THR 33 -17.889 6.000 -1.012 239 1HG2 THR 33 1HG2 THR 33 -15.728 6.132 -3.809 240 2HG2 THR 33 2HG2 THR 33 -17.054 4.976 -3.433 241 3HG2 THR 33 3HG2 THR 33 -17.304 6.740 -3.193 242 H SER 34 H SER 34 -14.522 3.316 -3.600 243 HA SER 34 HA SER 34 -16.519 1.235 -2.972 244 1HB SER 34 2HB SER 34 -16.813 2.000 -5.168 245 2HB SER 34 1HB SER 34 -15.090 1.998 -5.486 246 HG SER 34 HG SER 34 -16.162 0.209 -6.460 247 H ILE 35 H ILE 35 -13.674 1.741 -1.893 248 HA ILE 35 HA ILE 35 -12.175 -0.553 -2.733 249 HB ILE 35 HB ILE 35 -11.610 1.717 -1.369 250 1HG1 ILE 35 2HG1 ILE 35 -10.242 -0.267 -2.653 251 2HG1 ILE 35 1HG1 ILE 35 -9.543 1.190 -1.976 252 1HG2 ILE 35 1HG2 ILE 35 -12.466 0.854 0.735 253 2HG2 ILE 35 2HG2 ILE 35 -11.390 -0.580 0.589 254 3HG2 ILE 35 3HG2 ILE 35 -10.681 1.057 0.815 255 1HD1 ILE 35 1HG1 ILE 35 -9.128 0.025 0.164 256 2HD1 ILE 35 2HG1 ILE 35 -9.845 -1.471 -0.531 257 3HD1 ILE 35 3HG1 ILE 35 -8.316 -0.809 -1.206 258 H THR 36 H THR 36 -11.388 -2.156 -1.021 259 HA THR 36 HA THR 36 -13.687 -3.688 -0.264 260 HB THR 36 HB THR 36 -11.652 -4.809 -0.969 261 HG1 THR 36 HG1 THR 36 -11.512 -6.131 0.956 262 1HG2 THR 36 1HG2 THR 36 -9.996 -3.096 -0.048 263 2HG2 THR 36 2HG2 THR 36 -10.424 -3.678 1.599 264 3HG2 THR 36 3HG2 THR 36 -9.621 -4.788 0.434 265 H SER 37 H SER 37 -14.968 -3.366 1.365 266 HA SER 37 HA SER 37 -13.791 -2.228 3.844 267 1HB SER 37 2HB SER 37 -15.328 -0.635 3.835 268 2HB SER 37 1HB SER 37 -15.903 -1.220 2.287 269 HG SER 37 HG SER 37 -17.565 -1.173 3.878 270 H LYS 38 H LYS 38 -15.762 -4.637 2.348 271 HA LYS 38 HA LYS 38 -16.354 -5.805 4.997 272 1HB LYS 38 2HB LYS 38 -18.245 -6.755 4.153 273 2HB LYS 38 1HB LYS 38 -18.149 -5.313 3.164 274 1HG LYS 38 2HG LYS 38 -17.127 -6.564 1.361 275 2HG LYS 38 1HG LYS 38 -17.057 -8.004 2.357 276 1HD LYS 38 2HD LYS 38 -19.733 -6.831 2.118 277 2HD LYS 38 1HD LYS 38 -19.070 -7.427 0.610 278 1HE LYS 38 2HE LYS 38 -18.739 -9.217 2.925 279 2HE LYS 38 1HE LYS 38 -20.390 -8.982 2.389 280 1HZ LYS 38 1HZ LYS 38 -19.715 -9.608 0.189 281 2HZ LYS 38 2HZ LYS 38 -18.154 -9.830 0.695 282 3HZ LYS 38 3HZ LYS 38 -19.357 -10.813 1.266 283 H LYS 39 H LYS 39 -15.146 -6.601 1.778 284 HA LYS 39 HA LYS 39 -14.280 -9.220 2.526 285 1HB LYS 39 2HB LYS 39 -14.543 -7.828 0.158 286 2HB LYS 39 1HB LYS 39 -12.821 -8.113 0.302 287 1HG LYS 39 2HG LYS 39 -14.860 -10.290 0.686 288 2HG LYS 39 1HG LYS 39 -14.149 -9.927 -0.874 289 1HD LYS 39 2HD LYS 39 -12.405 -10.444 1.504 290 2HD LYS 39 1HD LYS 39 -13.072 -11.779 0.587 291 1HE LYS 39 2HE LYS 39 -11.611 -11.478 -1.091 292 2HE LYS 39 1HE LYS 39 -11.899 -9.750 -1.129 293 1HZ LYS 39 1HZ LYS 39 -10.418 -9.511 0.725 294 2HZ LYS 39 2HZ LYS 39 -10.145 -11.143 0.760 295 3HZ LYS 39 3HZ LYS 39 -9.645 -10.249 -0.540 296 H TRP 40 H TRP 40 -12.649 -9.866 3.670 297 HA TRP 40 HA TRP 40 -10.222 -8.218 3.762 298 1HB TRP 40 2HB TRP 40 -11.788 -8.963 6.205 299 2HB TRP 40 1HB TRP 40 -10.130 -8.395 6.236 300 HD1 TRP 40 HD1 TRP 40 -13.092 -6.935 7.240 301 HE1 TRP 40 HE1 TRP 40 -9.504 -6.659 3.663 302 HE3 TRP 40 HE3 TRP 40 -13.355 -4.414 6.709 303 HZ2 TRP 40 HZ2 TRP 40 -9.108 -4.451 2.584 304 HZ3 TRP 40 HZ3 TRP 40 -12.141 -2.550 4.944 305 HH2 TRP 40 HH2 TRP 40 -10.358 -2.442 3.173 306 H GLY 41 H GLY 41 -8.473 -9.405 3.618 307 1HA GLY 41 2HA GLY 41 -8.771 -12.326 4.128 308 2HA GLY 41 1HA GLY 41 -7.800 -11.663 2.829 309 H THR 42 H THR 42 -6.854 -13.467 4.760 310 HA THR 42 HA THR 42 -5.550 -12.288 6.945 311 HB THR 42 HB THR 42 -5.730 -14.689 6.775 312 HG1 THR 42 HG1 THR 42 -3.445 -15.093 7.076 313 1HG2 THR 42 1HG2 THR 42 -5.536 -14.855 4.233 314 2HG2 THR 42 2HG2 THR 42 -3.792 -14.457 4.415 315 3HG2 THR 42 3HG2 THR 42 -4.443 -15.981 5.111 316 H ARG 43 H ARG 43 -4.676 -12.460 3.566 317 HA ARG 43 HA ARG 43 -2.124 -11.087 4.116 318 1HB ARG 43 2HB ARG 43 -3.185 -12.705 1.907 319 2HB ARG 43 1HB ARG 43 -2.199 -11.339 1.427 320 1HG ARG 43 2HG ARG 43 -0.504 -12.178 3.152 321 2HG ARG 43 1HG ARG 43 -1.434 -13.664 3.166 322 1HD ARG 43 2HD ARG 43 0.509 -12.766 1.242 323 2HD ARG 43 1HD ARG 43 -0.262 -14.333 1.378 324 HE ARG 43 HE ARG 43 -0.928 -12.251 -0.503 325 1HH1 ARG 43 2HH1 ARG 43 -2.376 -14.850 1.448 326 2HH1 ARG 43 HH22 ARG 43 -3.740 -15.059 0.373 327 1HH2 ARG 43 1HH1 ARG 43 -2.684 -12.531 -1.873 328 2HH2 ARG 43 2HH1 ARG 43 -3.911 -13.728 -1.527 329 H ASP 44 H ASP 44 -5.162 -10.168 3.949 330 HA ASP 44 HA ASP 44 -4.683 -7.825 2.188 331 1HB ASP 44 2HB ASP 44 -6.902 -9.478 2.521 332 2HB ASP 44 1HB ASP 44 -7.312 -7.991 3.350 333 H LEU 45 H LEU 45 -5.523 -5.749 2.952 334 HA LEU 45 HA LEU 45 -4.879 -5.439 5.812 335 1HB LEU 45 2HB LEU 45 -3.957 -4.092 3.655 336 2HB LEU 45 1HB LEU 45 -5.216 -3.023 4.239 337 HG LEU 45 HG LEU 45 -4.136 -3.001 6.429 338 1HD1 LEU 45 1HD1 LEU 45 -3.017 -5.156 6.381 339 2HD1 LEU 45 2HD1 LEU 45 -1.940 -4.574 5.064 340 3HD1 LEU 45 3HD1 LEU 45 -1.836 -3.839 6.702 341 1HD2 LEU 45 1HD2 LEU 45 -2.371 -2.132 4.129 342 2HD2 LEU 45 2HD2 LEU 45 -3.715 -1.191 4.863 343 3HD2 LEU 45 3HD2 LEU 45 -2.239 -1.550 5.825 344 H GLN 46 H GLN 46 -6.136 -4.120 7.178 345 HA GLN 46 HA GLN 46 -8.987 -4.444 6.586 346 1HB GLN 46 2HB GLN 46 -8.331 -5.189 8.750 347 2HB GLN 46 1HB GLN 46 -7.533 -3.668 9.092 348 1HG GLN 46 2HG GLN 46 -9.510 -2.556 9.470 349 2HG GLN 46 1HG GLN 46 -10.424 -3.602 8.401 350 1HE2 GLN 46 1HE2 GLN 46 -10.718 -5.852 9.074 351 2HE2 GLN 46 2HE2 GLN 46 -10.994 -6.191 10.768 352 H VAL 47 H VAL 47 -7.443 -2.531 5.099 353 HA VAL 47 HA VAL 47 -7.924 0.099 6.072 354 HB VAL 47 HB VAL 47 -7.418 0.822 3.828 355 1HG1 VAL 47 1HG1 VAL 47 -5.548 0.232 5.279 356 2HG1 VAL 47 2HG1 VAL 47 -5.659 -1.475 4.727 357 3HG1 VAL 47 3HG1 VAL 47 -5.183 -0.185 3.569 358 1HG2 VAL 47 1HG2 VAL 47 -7.578 -2.108 3.074 359 2HG2 VAL 47 2HG2 VAL 47 -8.710 -0.810 2.558 360 3HG2 VAL 47 3HG2 VAL 47 -6.999 -0.783 2.006 361 H LYS 48 H LYS 48 -9.376 1.688 5.123 362 HA LYS 48 HA LYS 48 -11.993 0.431 4.520 363 1HB LYS 48 2HB LYS 48 -11.287 2.204 6.609 364 2HB LYS 48 1HB LYS 48 -12.397 3.032 5.535 365 1HG LYS 48 2HG LYS 48 -13.903 1.966 6.904 366 2HG LYS 48 1HG LYS 48 -13.701 0.737 5.672 367 1HD LYS 48 2HD LYS 48 -13.542 -0.304 7.847 368 2HD LYS 48 1HD LYS 48 -11.962 -0.333 7.089 369 1HE LYS 48 2HE LYS 48 -11.110 0.727 8.862 370 2HE LYS 48 1HE LYS 48 -12.155 2.094 8.533 371 1HZ LYS 48 1HZ LYS 48 -13.865 1.034 9.815 372 2HZ LYS 48 2HZ LYS 48 -12.877 -0.258 10.126 373 3HZ LYS 48 3HZ LYS 48 -12.499 1.236 10.730 374 HA PRO 49 HA PRO 49 -12.092 2.626 0.825 375 1HB PRO 49 2HB PRO 49 -14.799 3.029 0.492 376 2HB PRO 49 1HB PRO 49 -13.953 1.537 0.135 377 1HG PRO 49 2HG PRO 49 -15.741 2.158 2.366 378 2HG PRO 49 1HG PRO 49 -15.233 0.595 1.759 379 1HD PRO 49 2HD PRO 49 -14.291 1.920 4.089 380 2HD PRO 49 1HD PRO 49 -13.703 0.412 3.419 381 H GLY 50 H GLY 50 -11.601 4.622 0.281 382 1HA GLY 50 2HA GLY 50 -12.126 6.954 0.088 383 2HA GLY 50 1HA GLY 50 -13.075 6.853 1.557 384 H GLU 51 H GLU 51 -10.212 5.118 1.785 385 HA GLU 51 HA GLU 51 -8.990 7.316 3.346 386 1HB GLU 51 2HB GLU 51 -9.604 5.055 4.420 387 2HB GLU 51 1HB GLU 51 -8.178 4.457 3.596 388 1HG GLU 51 2HG GLU 51 -6.757 5.577 4.966 389 2HG GLU 51 1HG GLU 51 -7.811 6.973 5.083 390 H SER 52 H SER 52 -6.546 7.127 3.507 391 HA SER 52 HA SER 52 -5.457 6.531 0.810 392 1HB SER 52 2HB SER 52 -4.308 8.521 0.687 393 2HB SER 52 1HB SER 52 -5.807 9.024 1.443 394 HG SER 52 HG SER 52 -3.957 9.876 2.514 395 H LEU 53 H LEU 53 -3.738 5.293 0.738 396 HA LEU 53 HA LEU 53 -2.041 5.100 3.132 397 1HB LEU 53 2HB LEU 53 -3.688 3.347 3.376 398 2HB LEU 53 1HB LEU 53 -3.256 2.717 1.799 399 HG LEU 53 HG LEU 53 -1.012 2.232 2.653 400 1HD1 LEU 53 1HD1 LEU 53 -0.863 3.884 4.427 401 2HD1 LEU 53 2HD1 LEU 53 -2.165 3.037 5.332 402 3HD1 LEU 53 3HD1 LEU 53 -0.578 2.232 5.077 403 1HD2 LEU 53 1HD2 LEU 53 -3.283 0.933 4.175 404 2HD2 LEU 53 2HD2 LEU 53 -2.677 0.466 2.548 405 3HD2 LEU 53 3HD2 LEU 53 -1.627 0.258 3.992 406 H GLU 54 H GLU 54 -0.008 3.940 2.707 407 HA GLU 54 HA GLU 54 1.084 4.945 0.219 408 1HB GLU 54 2HB GLU 54 2.140 3.965 2.740 409 2HB GLU 54 1HB GLU 54 3.069 3.435 1.352 410 1HG GLU 54 2HG GLU 54 4.080 5.438 1.472 411 2HG GLU 54 1HG GLU 54 2.602 6.081 0.783 412 H VAL 55 H VAL 55 1.578 3.921 -1.585 413 HA VAL 55 HA VAL 55 0.867 1.051 -1.687 414 HB VAL 55 HB VAL 55 0.672 3.278 -3.601 415 1HG1 VAL 55 1HG1 VAL 55 2.160 1.766 -4.802 416 2HG1 VAL 55 2HG1 VAL 55 1.036 0.401 -4.477 417 3HG1 VAL 55 3HG1 VAL 55 0.519 1.759 -5.535 418 1HG2 VAL 55 1HG2 VAL 55 -1.073 0.872 -3.014 419 2HG2 VAL 55 2HG2 VAL 55 -1.315 2.542 -2.392 420 3HG2 VAL 55 3HG2 VAL 55 -1.477 2.205 -4.151 421 H ILE 56 H ILE 56 2.312 -0.455 -2.064 422 HA ILE 56 HA ILE 56 5.083 0.438 -2.430 423 HB ILE 56 HB ILE 56 4.103 -2.317 -1.856 424 1HG1 ILE 56 2HG1 ILE 56 4.747 -0.082 0.020 425 2HG1 ILE 56 1HG1 ILE 56 3.288 -1.050 -0.064 426 1HG2 ILE 56 1HG2 ILE 56 6.361 -2.271 -2.750 427 2HG2 ILE 56 2HG2 ILE 56 6.829 -1.047 -1.519 428 3HG2 ILE 56 3HG2 ILE 56 6.381 -2.711 -1.006 429 1HD1 ILE 56 1HG1 ILE 56 4.548 -3.051 0.656 430 2HD1 ILE 56 2HG1 ILE 56 6.044 -2.058 0.742 431 3HD1 ILE 56 3HG1 ILE 56 4.678 -1.725 1.862 432 H GLN 57 H GLN 57 5.498 -2.433 -3.478 433 HA GLN 57 HA GLN 57 5.230 -1.631 -6.298 434 1HB GLN 57 2HB GLN 57 6.881 -3.713 -4.923 435 2HB GLN 57 1HB GLN 57 6.692 -3.678 -6.665 436 1HG GLN 57 2HG GLN 57 7.772 -1.430 -4.970 437 2HG GLN 57 1HG GLN 57 8.727 -2.498 -5.979 438 1HE2 GLN 57 1HE2 GLN 57 7.937 -2.671 -8.289 439 2HE2 GLN 57 2HE2 GLN 57 7.549 -1.170 -9.099 440 H THR 58 H THR 58 4.504 -3.108 -7.907 441 HA THR 58 HA THR 58 2.025 -4.320 -7.166 442 HB THR 58 HB THR 58 2.204 -5.113 -9.648 443 HG1 THR 58 HG1 THR 58 3.964 -3.939 -10.647 444 1HG2 THR 58 1HG2 THR 58 1.019 -2.961 -8.952 445 2HG2 THR 58 2HG2 THR 58 2.613 -2.137 -9.056 446 3HG2 THR 58 3HG2 THR 58 1.863 -2.834 -10.534 447 H THR 59 H THR 59 1.603 -6.201 -6.332 448 HA THR 59 HA THR 59 3.570 -8.064 -5.629 449 HB THR 59 HB THR 59 0.585 -8.101 -5.772 450 HG1 THR 59 HG1 THR 59 1.100 -8.361 -3.505 451 1HG2 THR 59 1HG2 THR 59 1.347 -10.473 -6.331 452 2HG2 THR 59 2HG2 THR 59 2.357 -10.420 -4.844 453 3HG2 THR 59 3HG2 THR 59 0.565 -10.333 -4.718 454 H ASP 60 H ASP 60 0.988 -8.840 -7.917 455 HA ASP 60 HA ASP 60 2.944 -10.482 -9.433 456 1HB ASP 60 2HB ASP 60 1.128 -11.829 -8.795 457 2HB ASP 60 1HB ASP 60 -0.034 -10.568 -9.155 458 H ASP 61 H ASP 61 -0.134 -9.423 -10.639 459 HA ASP 61 HA ASP 61 1.269 -7.725 -12.648 460 1HB ASP 61 2HB ASP 61 -0.426 -9.937 -13.030 461 2HB ASP 61 1HB ASP 61 -1.349 -8.514 -13.470 462 H THR 62 H THR 62 -1.918 -8.305 -11.180 463 HA THR 62 HA THR 62 -2.286 -5.359 -11.083 464 HB THR 62 HB THR 62 -4.688 -7.098 -11.127 465 HG1 THR 62 HG1 THR 62 -4.282 -7.371 -13.415 466 1HG2 THR 62 1HG2 THR 62 -4.772 -4.553 -11.334 467 2HG2 THR 62 2HG2 THR 62 -3.799 -4.717 -12.837 468 3HG2 THR 62 3HG2 THR 62 -5.456 -5.411 -12.759 469 H LYS 63 H LYS 63 -1.008 -5.738 -9.066 470 HA LYS 63 HA LYS 63 -2.889 -5.765 -6.866 471 1HB LYS 63 2HB LYS 63 -2.565 -8.118 -6.973 472 2HB LYS 63 1HB LYS 63 -0.825 -7.929 -7.065 473 1HG LYS 63 2HG LYS 63 -1.065 -8.411 -4.826 474 2HG LYS 63 1HG LYS 63 -1.168 -6.662 -4.781 475 1HD LYS 63 2HD LYS 63 -3.043 -7.123 -3.570 476 2HD LYS 63 1HD LYS 63 -3.754 -7.219 -5.169 477 1HE LYS 63 2HE LYS 63 -3.886 -9.519 -5.122 478 2HE LYS 63 1HE LYS 63 -2.538 -9.678 -4.015 479 1HZ LYS 63 1HZ LYS 63 -3.930 -8.831 -2.273 480 2HZ LYS 63 2HZ LYS 63 -5.205 -8.680 -3.320 481 3HZ LYS 63 3HZ LYS 63 -4.610 -10.181 -2.950 482 H VAL 64 H VAL 64 -2.359 -4.316 -5.428 483 HA VAL 64 HA VAL 64 0.469 -3.416 -5.399 484 HB VAL 64 HB VAL 64 -0.183 -1.185 -5.228 485 1HG1 VAL 64 1HG1 VAL 64 -0.302 -2.038 -7.510 486 2HG1 VAL 64 2HG1 VAL 64 -2.019 -2.504 -7.246 487 3HG1 VAL 64 3HG1 VAL 64 -1.547 -0.769 -7.239 488 1HG2 VAL 64 1HG2 VAL 64 -3.039 -2.131 -4.872 489 2HG2 VAL 64 2HG2 VAL 64 -1.984 -1.424 -3.601 490 3HG2 VAL 64 3HG2 VAL 64 -2.513 -0.416 -4.992 491 H LEU 65 H LEU 65 1.478 -3.545 -3.555 492 HA LEU 65 HA LEU 65 -0.081 -4.321 -1.203 493 1HB LEU 65 2HB LEU 65 1.642 -5.663 -0.989 494 2HB LEU 65 1HB LEU 65 2.594 -4.746 -2.140 495 HG LEU 65 HG LEU 65 2.976 -3.145 -0.172 496 1HD1 LEU 65 1HD1 LEU 65 1.341 -4.079 1.362 497 2HD1 LEU 65 2HD1 LEU 65 2.203 -5.657 1.329 498 3HD1 LEU 65 3HD1 LEU 65 2.998 -4.214 2.047 499 1HD2 LEU 65 1HD2 LEU 65 4.300 -5.865 -0.274 500 2HD2 LEU 65 2HD2 LEU 65 4.749 -4.417 -1.241 501 3HD2 LEU 65 3HD2 LEU 65 4.966 -4.408 0.544 502 H CYS 66 H CYS 66 -0.775 -2.997 0.257 503 HA CYS 66 HA CYS 66 0.264 -0.244 0.239 504 1HB CYS 66 2HB CYS 66 -2.011 -1.183 1.935 505 2HB CYS 66 1HB CYS 66 -1.685 0.428 1.331 506 HG CYS 66 HG CYS 66 -3.934 -0.612 -0.116 507 H ARG 67 H ARG 67 0.868 0.827 2.177 508 HA ARG 67 HA ARG 67 1.695 -0.984 4.366 509 1HB ARG 67 2HB ARG 67 3.536 -0.218 2.562 510 2HB ARG 67 1HB ARG 67 3.611 1.141 3.666 511 1HG ARG 67 2HG ARG 67 3.715 -0.724 5.499 512 2HG ARG 67 1HG ARG 67 4.245 -1.733 4.169 513 1HD ARG 67 2HD ARG 67 6.239 -0.625 3.943 514 2HD ARG 67 1HD ARG 67 5.570 0.904 4.478 515 HE ARG 67 HE ARG 67 5.720 -1.160 6.555 516 1HH1 ARG 67 2HH1 ARG 67 7.369 1.583 5.002 517 2HH1 ARG 67 HH22 ARG 67 8.407 1.893 6.375 518 1HH2 ARG 67 1HH1 ARG 67 7.060 -0.752 8.312 519 2HH2 ARG 67 2HH1 ARG 67 8.226 0.552 8.269 520 H ASN 68 H ASN 68 1.681 -0.130 6.376 521 HA ASN 68 HA ASN 68 0.731 2.688 6.574 522 1HB ASN 68 2HB ASN 68 -0.188 1.719 8.850 523 2HB ASN 68 1HB ASN 68 -1.117 1.561 7.373 524 1HD2 ASN 68 1HD2 ASN 68 -0.645 -0.019 9.984 525 2HD2 ASN 68 2HD2 ASN 68 -0.452 -1.672 9.444 526 H GLU 69 H GLU 69 1.497 3.923 8.277 527 HA GLU 69 HA GLU 69 4.179 3.557 8.976 528 1HB GLU 69 2HB GLU 69 2.525 5.616 9.207 529 2HB GLU 69 1HB GLU 69 2.478 5.059 10.867 530 1HG GLU 69 2HG GLU 69 4.993 5.693 9.328 531 2HG GLU 69 1HG GLU 69 4.238 6.756 10.499 532 H GLU 70 H GLU 70 1.412 2.021 10.158 533 HA GLU 70 HA GLU 70 2.169 1.471 12.816 534 1HB GLU 70 2HB GLU 70 -0.036 0.957 11.491 535 2HB GLU 70 1HB GLU 70 0.733 -0.598 11.249 536 1HG GLU 70 2HG GLU 70 -0.489 -0.901 13.220 537 2HG GLU 70 1HG GLU 70 1.131 -0.563 13.796 538 H GLY 71 H GLY 71 3.686 0.656 9.982 539 1HA GLY 71 2HA GLY 71 5.651 -0.557 9.704 540 2HA GLY 71 1HA GLY 71 5.553 -1.079 11.374 541 H LYS 72 H LYS 72 2.750 -1.454 9.447 542 HA LYS 72 HA LYS 72 3.358 -4.338 9.140 543 1HB LYS 72 2HB LYS 72 1.739 -4.045 10.898 544 2HB LYS 72 1HB LYS 72 0.722 -3.090 9.838 545 1HG LYS 72 2HG LYS 72 1.411 -5.677 8.696 546 2HG LYS 72 1HG LYS 72 0.545 -5.818 10.213 547 1HD LYS 72 2HD LYS 72 -0.617 -3.799 8.484 548 2HD LYS 72 1HD LYS 72 -0.584 -5.376 7.720 549 1HE LYS 72 2HE LYS 72 -2.659 -5.187 8.912 550 2HE LYS 72 1HE LYS 72 -1.644 -6.314 9.789 551 1HZ LYS 72 1HZ LYS 72 -1.040 -4.543 11.269 552 2HZ LYS 72 2HZ LYS 72 -1.999 -3.478 10.440 553 3HZ LYS 72 3HZ LYS 72 -2.683 -4.747 11.255 554 H TYR 73 H TYR 73 2.656 -5.398 7.316 555 HA TYR 73 HA TYR 73 1.978 -3.569 5.055 556 1HB TYR 73 2HB TYR 73 3.564 -6.126 5.221 557 2HB TYR 73 1HB TYR 73 3.168 -5.319 3.718 558 HD1 TYR 73 HD1 TYR 73 4.789 -4.597 7.004 559 HD2 TYR 73 HD2 TYR 73 4.723 -3.875 2.799 560 HE1 TYR 73 HE1 TYR 73 6.877 -3.174 7.210 561 HE2 TYR 73 HE2 TYR 73 6.813 -2.453 3.017 562 HH TYR 73 HH TYR 73 8.294 -1.667 4.370 563 H GLY 74 H GLY 74 0.676 -4.432 3.365 564 1HA GLY 74 2HA GLY 74 -0.725 -6.952 3.807 565 2HA GLY 74 1HA GLY 74 -1.720 -5.524 4.008 566 H TYR 75 H TYR 75 -2.177 -7.504 2.080 567 HA TYR 75 HA TYR 75 -1.315 -6.253 -0.474 568 1HB TYR 75 2HB TYR 75 -2.378 -8.905 0.419 569 2HB TYR 75 1HB TYR 75 -2.468 -8.449 -1.270 570 HD1 TYR 75 HD1 TYR 75 -0.787 -10.609 0.527 571 HD2 TYR 75 HD2 TYR 75 0.080 -7.065 -1.687 572 HE1 TYR 75 HE1 TYR 75 1.596 -11.401 0.180 573 HE2 TYR 75 HE2 TYR 75 2.462 -7.869 -2.026 574 HH TYR 75 HH TYR 75 3.881 -9.442 -1.633 575 H VAL 76 H VAL 76 -2.820 -5.798 -2.109 576 HA VAL 76 HA VAL 76 -5.659 -5.819 -1.358 577 HB VAL 76 HB VAL 76 -4.431 -3.299 -2.365 578 1HG1 VAL 76 1HG1 VAL 76 -6.836 -3.523 -2.707 579 2HG1 VAL 76 2HG1 VAL 76 -7.051 -3.885 -0.960 580 3HG1 VAL 76 3HG1 VAL 76 -6.483 -2.260 -1.478 581 1HG2 VAL 76 1HG2 VAL 76 -4.914 -4.044 0.532 582 2HG2 VAL 76 2HG2 VAL 76 -3.317 -3.785 -0.251 583 3HG2 VAL 76 3HG2 VAL 76 -4.461 -2.411 -0.066 584 H LEU 77 H LEU 77 -6.866 -6.509 -2.941 585 HA LEU 77 HA LEU 77 -5.660 -7.082 -5.486 586 1HB LEU 77 2HB LEU 77 -7.655 -8.192 -4.102 587 2HB LEU 77 1HB LEU 77 -8.570 -7.238 -5.251 588 HG LEU 77 HG LEU 77 -6.794 -9.558 -5.716 589 1HD1 LEU 77 1HD1 LEU 77 -9.168 -9.990 -5.442 590 2HD1 LEU 77 2HD1 LEU 77 -9.539 -8.809 -6.746 591 3HD1 LEU 77 3HD1 LEU 77 -8.657 -10.327 -7.132 592 1HD2 LEU 77 1HD2 LEU 77 -7.503 -7.498 -7.816 593 2HD2 LEU 77 2HD2 LEU 77 -5.860 -7.859 -7.180 594 3HD2 LEU 77 3HD2 LEU 77 -6.747 -9.098 -8.135 595 H ARG 78 H ARG 78 -5.943 -6.186 -7.453 596 HA ARG 78 HA ARG 78 -6.283 -3.390 -7.553 597 1HB ARG 78 2HB ARG 78 -6.059 -3.556 -9.879 598 2HB ARG 78 1HB ARG 78 -5.149 -4.919 -9.261 599 1HG ARG 78 2HG ARG 78 -6.408 -6.292 -10.489 600 2HG ARG 78 1HG ARG 78 -7.819 -5.785 -9.583 601 1HD ARG 78 2HD ARG 78 -6.753 -4.237 -11.935 602 2HD ARG 78 1HD ARG 78 -7.971 -5.487 -12.095 603 HE ARG 78 HE ARG 78 -9.515 -4.140 -10.825 604 1HH1 ARG 78 2HH1 ARG 78 -6.433 -2.514 -11.541 605 2HH1 ARG 78 HH22 ARG 78 -7.063 -0.915 -11.215 606 1HH2 ARG 78 1HH1 ARG 78 -10.312 -2.080 -10.410 607 2HH2 ARG 78 2HH1 ARG 78 -9.285 -0.673 -10.568 608 H SER 79 H SER 79 -8.549 -5.943 -7.505 609 HA SER 79 HA SER 79 -10.718 -4.977 -8.913 610 1HB SER 79 2HB SER 79 -10.938 -7.084 -7.888 611 2HB SER 79 1HB SER 79 -10.617 -6.427 -6.296 612 HG SER 79 HG SER 79 -12.853 -6.849 -6.635 613 H TYR 80 H TYR 80 -10.034 -4.326 -5.489 614 HA TYR 80 HA TYR 80 -11.662 -1.833 -5.728 615 1HB TYR 80 2HB TYR 80 -11.775 -2.192 -3.195 616 2HB TYR 80 1HB TYR 80 -12.683 -3.306 -4.198 617 HD1 TYR 80 HD1 TYR 80 -12.128 -5.639 -4.297 618 HD2 TYR 80 HD2 TYR 80 -9.693 -2.918 -2.086 619 HE1 TYR 80 HE1 TYR 80 -10.932 -7.588 -3.199 620 HE2 TYR 80 HE2 TYR 80 -8.505 -4.877 -0.998 621 HH TYR 80 HH TYR 80 -8.368 -7.023 -0.866 622 H LEU 81 H LEU 81 -9.812 -0.669 -6.504 623 HA LEU 81 HA LEU 81 -8.313 0.498 -4.352 624 1HB LEU 81 2HB LEU 81 -7.176 -1.762 -5.438 625 2HB LEU 81 1HB LEU 81 -6.331 -0.432 -6.205 626 HG LEU 81 HG LEU 81 -6.638 -0.618 -3.252 627 1HD1 LEU 81 1HD1 LEU 81 -5.592 -2.702 -3.931 628 2HD1 LEU 81 2HD1 LEU 81 -4.392 -1.788 -4.909 629 3HD1 LEU 81 3HD1 LEU 81 -4.397 -1.633 -3.118 630 1HD2 LEU 81 1HD2 LEU 81 -4.662 0.847 -5.015 631 2HD2 LEU 81 2HD2 LEU 81 -6.029 1.574 -4.102 632 3HD2 LEU 81 3HD2 LEU 81 -4.649 0.836 -3.217 633 H ALA 82 H ALA 82 -6.523 1.987 -5.398 634 HA ALA 82 HA ALA 82 -8.026 3.592 -7.335 635 1HB ALA 82 1HB ALA 82 -7.104 4.702 -5.354 636 2HB ALA 82 2HB ALA 82 -5.455 4.161 -5.824 637 3HB ALA 82 3HB ALA 82 -6.342 5.337 -6.854 638 H ASP 83 H ASP 83 -6.501 4.794 -8.955 639 HA ASP 83 HA ASP 83 -5.787 2.971 -10.949 640 1HB ASP 83 2HB ASP 83 -5.335 5.807 -10.436 641 2HB ASP 83 1HB ASP 83 -4.082 5.061 -11.406 Start of MODEL 4 1 H GLU 7 H1 GLU 7 3.160 -5.358 15.671 2 HA GLU 7 HA GLU 7 4.368 -4.206 14.046 3 1HB GLU 7 2HB GLU 7 5.478 -2.719 15.797 4 2HB GLU 7 1HB GLU 7 6.642 -4.017 15.978 5 1HG GLU 7 2HG GLU 7 7.297 -3.847 13.679 6 2HG GLU 7 1HG GLU 7 5.988 -2.735 13.333 7 H LYS 8 H LYS 8 4.055 -6.836 15.661 8 HA LYS 8 HA LYS 8 6.428 -8.277 14.774 9 1HB LYS 8 2HB LYS 8 5.915 -9.680 16.401 10 2HB LYS 8 1HB LYS 8 4.552 -8.653 16.797 11 1HG LYS 8 2HG LYS 8 4.405 -10.779 14.676 12 2HG LYS 8 1HG LYS 8 4.019 -11.098 16.355 13 1HD LYS 8 2HD LYS 8 2.247 -9.456 16.312 14 2HD LYS 8 1HD LYS 8 2.690 -8.968 14.689 15 1HE LYS 8 2HE LYS 8 2.181 -11.828 14.906 16 2HE LYS 8 1HE LYS 8 0.787 -10.856 15.332 17 1HZ LYS 8 1HZ LYS 8 1.016 -9.705 13.255 18 2HZ LYS 8 2HZ LYS 8 2.333 -10.624 12.853 19 3HZ LYS 8 3HZ LYS 8 0.843 -11.332 12.998 20 H GLU 9 H GLU 9 3.544 -7.251 13.468 21 HA GLU 9 HA GLU 9 2.864 -9.419 11.783 22 1HB GLU 9 2HB GLU 9 1.383 -7.509 12.164 23 2HB GLU 9 1HB GLU 9 2.481 -6.487 11.259 24 1HG GLU 9 2HG GLU 9 0.416 -7.507 10.052 25 2HG GLU 9 1HG GLU 9 1.965 -7.501 9.234 26 H GLU 10 H GLU 10 5.413 -7.124 11.689 27 HA GLU 10 HA GLU 10 6.028 -7.206 8.934 28 1HB GLU 10 2HB GLU 10 7.177 -5.543 10.013 29 2HB GLU 10 1HB GLU 10 7.570 -6.558 11.385 30 1HG GLU 10 2HG GLU 10 8.718 -7.429 8.820 31 2HG GLU 10 1HG GLU 10 9.333 -5.906 9.430 32 H LYS 11 H LYS 11 6.972 -9.275 11.615 33 HA LYS 11 HA LYS 11 8.708 -10.906 10.011 34 1HB LYS 11 2HB LYS 11 7.487 -11.430 12.701 35 2HB LYS 11 1HB LYS 11 8.735 -12.407 11.954 36 1HG LYS 11 2HG LYS 11 9.280 -9.511 12.116 37 2HG LYS 11 1HG LYS 11 9.267 -10.378 13.638 38 1HD LYS 11 2HD LYS 11 10.746 -12.065 12.130 39 2HD LYS 11 1HD LYS 11 11.176 -10.531 11.401 40 1HE LYS 11 2HE LYS 11 11.917 -9.660 13.514 41 2HE LYS 11 1HE LYS 11 11.299 -11.062 14.363 42 1HZ LYS 11 1HZ LYS 11 12.884 -12.408 13.192 43 2HZ LYS 11 2HZ LYS 11 13.467 -11.082 12.390 44 3HZ LYS 11 3HZ LYS 11 13.655 -11.207 14.030 45 H ASP 12 H ASP 12 5.336 -10.886 10.818 46 HA ASP 12 HA ASP 12 4.805 -13.537 9.768 47 1HB ASP 12 2HB ASP 12 3.362 -12.408 11.451 48 2HB ASP 12 1HB ASP 12 2.896 -11.259 10.213 49 H PHE 13 H PHE 13 4.884 -10.253 8.609 50 HA PHE 13 HA PHE 13 3.433 -10.539 6.199 51 1HB PHE 13 2HB PHE 13 4.011 -8.383 6.948 52 2HB PHE 13 1HB PHE 13 5.700 -8.814 7.128 53 HD1 PHE 13 HD1 PHE 13 7.205 -8.714 5.278 54 HD2 PHE 13 HD2 PHE 13 3.082 -7.927 4.732 55 HE1 PHE 13 HE1 PHE 13 7.684 -7.787 3.002 56 HE2 PHE 13 HE2 PHE 13 3.560 -7.000 2.455 57 HZ PHE 13 HZ PHE 13 5.856 -6.940 1.618 58 H ARG 14 H ARG 14 6.934 -10.716 6.797 59 HA ARG 14 HA ARG 14 7.670 -11.436 4.167 60 1HB ARG 14 2HB ARG 14 9.795 -11.895 5.007 61 2HB ARG 14 1HB ARG 14 9.165 -10.709 6.133 62 1HG ARG 14 2HG ARG 14 8.331 -12.819 7.438 63 2HG ARG 14 1HG ARG 14 9.574 -13.640 6.516 64 1HD ARG 14 2HD ARG 14 10.207 -11.125 8.017 65 2HD ARG 14 1HD ARG 14 10.195 -12.673 8.838 66 HE ARG 14 HE ARG 14 11.744 -12.971 6.488 67 1HH1 ARG 14 2HH1 ARG 14 11.897 -11.219 9.580 68 2HH1 ARG 14 HH22 ARG 14 13.646 -11.190 9.614 69 1HH2 ARG 14 1HH1 ARG 14 13.988 -12.927 6.544 70 2HH2 ARG 14 2HH1 ARG 14 14.838 -12.169 7.873 71 H LYS 15 H LYS 15 6.455 -13.278 6.851 72 HA LYS 15 HA LYS 15 7.201 -15.853 6.056 73 1HB LYS 15 2HB LYS 15 6.293 -15.965 8.110 74 2HB LYS 15 1HB LYS 15 5.108 -14.719 7.772 75 1HG LYS 15 2HG LYS 15 4.708 -17.178 6.237 76 2HG LYS 15 1HG LYS 15 4.557 -17.393 7.969 77 1HD LYS 15 2HD LYS 15 2.731 -15.988 8.123 78 2HD LYS 15 1HD LYS 15 3.175 -15.085 6.688 79 1HE LYS 15 2HE LYS 15 1.216 -16.423 6.204 80 2HE LYS 15 1HE LYS 15 2.580 -17.064 5.310 81 1HZ LYS 15 1HZ LYS 15 2.851 -18.720 7.005 82 2HZ LYS 15 2HZ LYS 15 1.562 -18.115 7.850 83 3HZ LYS 15 3HZ LYS 15 1.328 -18.799 6.360 84 H LYS 16 H LYS 16 4.158 -14.170 5.359 85 HA LYS 16 HA LYS 16 3.574 -16.108 3.257 86 1HB LYS 16 2HB LYS 16 1.904 -15.013 4.913 87 2HB LYS 16 1HB LYS 16 1.906 -13.700 3.753 88 1HG LYS 16 2HG LYS 16 0.450 -14.843 2.503 89 2HG LYS 16 1HG LYS 16 1.661 -16.087 2.271 90 1HD LYS 16 2HD LYS 16 0.890 -17.308 4.172 91 2HD LYS 16 1HD LYS 16 -0.140 -15.984 4.680 92 1HE LYS 16 2HE LYS 16 -1.799 -16.998 3.563 93 2HE LYS 16 1HE LYS 16 -0.974 -16.532 2.089 94 1HZ LYS 16 1HZ LYS 16 0.226 -18.593 2.167 95 2HZ LYS 16 2HZ LYS 16 -0.554 -19.034 3.560 96 3HZ LYS 16 3HZ LYS 16 -1.405 -18.876 2.148 97 H PHE 17 H PHE 17 4.656 -12.822 3.629 98 HA PHE 17 HA PHE 17 4.589 -12.312 0.738 99 1HB PHE 17 2HB PHE 17 5.463 -10.795 3.180 100 2HB PHE 17 1HB PHE 17 5.685 -10.168 1.559 101 HD1 PHE 17 HD1 PHE 17 4.152 -8.577 0.967 102 HD2 PHE 17 HD2 PHE 17 2.911 -11.774 3.449 103 HE1 PHE 17 HE1 PHE 17 1.829 -7.641 1.011 104 HE2 PHE 17 HE2 PHE 17 0.588 -10.840 3.492 105 HZ PHE 17 HZ PHE 17 0.076 -8.784 2.275 106 H LYS 18 H LYS 18 6.268 -14.476 1.922 107 HA LYS 18 HA LYS 18 8.907 -14.014 2.210 108 1HB LYS 18 2HB LYS 18 7.377 -16.206 1.447 109 2HB LYS 18 1HB LYS 18 8.655 -16.092 0.254 110 1HG LYS 18 2HG LYS 18 9.147 -16.013 3.224 111 2HG LYS 18 1HG LYS 18 9.218 -17.483 2.273 112 1HD LYS 18 2HD LYS 18 11.381 -16.985 1.933 113 2HD LYS 18 1HD LYS 18 10.805 -15.738 0.846 114 1HE LYS 18 2HE LYS 18 10.697 -14.834 3.583 115 2HE LYS 18 1HE LYS 18 12.313 -15.371 3.171 116 1HZ LYS 18 1HZ LYS 18 12.250 -13.937 1.264 117 2HZ LYS 18 2HZ LYS 18 10.722 -13.431 1.654 118 3HZ LYS 18 3HZ LYS 18 11.995 -13.066 2.649 119 H TYR 19 H TYR 19 7.275 -12.379 0.094 120 HA TYR 19 HA TYR 19 8.744 -12.474 -2.340 121 1HB TYR 19 2HB TYR 19 6.834 -11.262 -2.566 122 2HB TYR 19 1HB TYR 19 6.878 -10.713 -0.903 123 HD1 TYR 19 HD1 TYR 19 9.052 -10.250 -3.911 124 HD2 TYR 19 HD2 TYR 19 6.905 -8.416 -0.711 125 HE1 TYR 19 HE1 TYR 19 9.844 -7.965 -4.679 126 HE2 TYR 19 HE2 TYR 19 7.701 -6.138 -1.491 127 HH TYR 19 HH TYR 19 8.872 -5.066 -2.949 128 H ASP 20 H ASP 20 10.779 -11.976 -2.737 129 HA ASP 20 HA ASP 20 12.225 -10.232 -0.826 130 1HB ASP 20 2HB ASP 20 13.824 -11.288 -2.966 131 2HB ASP 20 1HB ASP 20 14.011 -11.497 -1.237 132 H GLY 21 H GLY 21 11.697 -8.188 -1.386 133 1HA GLY 21 2HA GLY 21 12.779 -7.254 -3.958 134 2HA GLY 21 1HA GLY 21 11.078 -6.955 -3.663 135 H GLU 22 H GLU 22 11.954 -4.711 -3.990 136 HA GLU 22 HA GLU 22 13.136 -3.661 -1.492 137 1HB GLU 22 2HB GLU 22 13.364 -1.546 -2.939 138 2HB GLU 22 1HB GLU 22 14.449 -2.889 -3.237 139 1HG GLU 22 2HG GLU 22 13.191 -3.591 -5.140 140 2HG GLU 22 1HG GLU 22 11.883 -2.489 -4.757 141 H ILE 23 H ILE 23 11.410 -3.616 -0.150 142 HA ILE 23 HA ILE 23 8.878 -2.556 -0.915 143 HB ILE 23 HB ILE 23 10.007 -3.772 1.347 144 1HG1 ILE 23 2HG1 ILE 23 7.126 -3.068 0.973 145 2HG1 ILE 23 1HG1 ILE 23 7.919 -4.317 0.034 146 1HG2 ILE 23 1HG2 ILE 23 10.227 -1.579 2.370 147 2HG2 ILE 23 2HG2 ILE 23 8.499 -1.234 2.014 148 3HG2 ILE 23 3HG2 ILE 23 8.935 -2.528 3.184 149 1HD1 ILE 23 1HG1 ILE 23 8.538 -5.515 2.108 150 2HD1 ILE 23 2HG1 ILE 23 7.724 -4.233 3.071 151 3HD1 ILE 23 3HG1 ILE 23 6.758 -5.291 1.985 152 H ARG 24 H ARG 24 8.596 -0.615 -1.656 153 HA ARG 24 HA ARG 24 9.391 1.647 0.008 154 1HB ARG 24 2HB ARG 24 10.452 2.833 -1.918 155 2HB ARG 24 1HB ARG 24 11.390 1.492 -1.293 156 1HG ARG 24 2HG ARG 24 11.510 0.900 -3.478 157 2HG ARG 24 1HG ARG 24 9.927 0.215 -3.169 158 1HD ARG 24 2HD ARG 24 8.963 1.649 -4.595 159 2HD ARG 24 1HD ARG 24 9.703 3.020 -3.793 160 HE ARG 24 HE ARG 24 10.647 1.684 -6.214 161 1HH1 ARG 24 2HH1 ARG 24 11.567 3.755 -3.472 162 2HH1 ARG 24 HH22 ARG 24 12.954 4.434 -4.295 163 1HH2 ARG 24 1HH1 ARG 24 12.432 2.563 -7.259 164 2HH2 ARG 24 2HH1 ARG 24 13.445 3.747 -6.463 165 H VAL 25 H VAL 25 8.170 3.448 -0.287 166 HA VAL 25 HA VAL 25 5.808 3.030 -1.999 167 HB VAL 25 HB VAL 25 6.302 5.016 0.183 168 1HG1 VAL 25 1HG1 VAL 25 4.708 5.894 -1.442 169 2HG1 VAL 25 2HG1 VAL 25 3.755 4.373 -1.328 170 3HG1 VAL 25 3HG1 VAL 25 3.879 5.464 0.095 171 1HG2 VAL 25 1HG2 VAL 25 4.677 2.458 0.188 172 2HG2 VAL 25 2HG2 VAL 25 6.227 2.740 1.056 173 3HG2 VAL 25 3HG2 VAL 25 4.752 3.652 1.530 174 H LEU 26 H LEU 26 6.290 3.555 -4.015 175 HA LEU 26 HA LEU 26 7.738 6.065 -4.500 176 1HB LEU 26 2HB LEU 26 8.165 3.789 -5.646 177 2HB LEU 26 1HB LEU 26 6.819 4.264 -6.662 178 HG LEU 26 HG LEU 26 9.563 5.288 -6.549 179 1HD1 LEU 26 1HD1 LEU 26 8.877 3.837 -8.373 180 2HD1 LEU 26 2HD1 LEU 26 7.544 4.972 -8.782 181 3HD1 LEU 26 3HD1 LEU 26 9.256 5.485 -8.985 182 1HD2 LEU 26 1HD2 LEU 26 7.224 7.088 -7.219 183 2HD2 LEU 26 2HD2 LEU 26 8.357 7.273 -5.836 184 3HD2 LEU 26 3HD2 LEU 26 8.955 7.469 -7.520 185 H TYR 27 H TYR 27 4.682 4.487 -5.287 186 HA TYR 27 HA TYR 27 3.527 7.193 -5.814 187 1HB TYR 27 2HB TYR 27 2.175 6.125 -7.513 188 2HB TYR 27 1HB TYR 27 3.862 5.764 -7.820 189 HD1 TYR 27 HD1 TYR 27 4.764 3.500 -7.088 190 HD2 TYR 27 HD2 TYR 27 0.597 4.401 -7.268 191 HE1 TYR 27 HE1 TYR 27 4.223 1.021 -7.122 192 HE2 TYR 27 HE2 TYR 27 0.068 1.921 -7.297 193 HH TYR 27 HH TYR 27 0.887 -0.073 -7.267 194 H SER 28 H SER 28 2.804 7.366 -3.662 195 HA SER 28 HA SER 28 1.186 5.316 -2.458 196 1HB SER 28 2HB SER 28 0.690 6.987 -0.748 197 2HB SER 28 1HB SER 28 2.408 6.895 -1.077 198 HG SER 28 HG SER 28 1.656 9.066 -0.948 199 H THR 29 H THR 29 -0.694 4.720 -3.200 200 HA THR 29 HA THR 29 -2.393 6.703 -4.552 201 HB THR 29 HB THR 29 -1.795 4.243 -5.344 202 HG1 THR 29 HG1 THR 29 -3.852 4.451 -6.438 203 1HG2 THR 29 1HG2 THR 29 -2.869 3.151 -3.300 204 2HG2 THR 29 2HG2 THR 29 -4.415 3.927 -3.790 205 3HG2 THR 29 3HG2 THR 29 -3.652 2.693 -4.852 206 H LYS 30 H LYS 30 -4.681 6.807 -4.103 207 HA LYS 30 HA LYS 30 -5.120 6.637 -1.188 208 1HB LYS 30 2HB LYS 30 -5.338 8.862 -2.053 209 2HB LYS 30 1HB LYS 30 -6.487 8.319 -3.259 210 1HG LYS 30 2HG LYS 30 -7.544 7.433 -0.843 211 2HG LYS 30 1HG LYS 30 -6.935 9.038 -0.492 212 1HD LYS 30 2HD LYS 30 -8.293 10.028 -2.154 213 2HD LYS 30 1HD LYS 30 -8.654 8.480 -2.891 214 1HE LYS 30 2HE LYS 30 -9.526 8.203 -0.269 215 2HE LYS 30 1HE LYS 30 -9.995 9.833 -0.706 216 1HZ LYS 30 1HZ LYS 30 -11.067 8.953 -2.647 217 2HZ LYS 30 2HZ LYS 30 -10.623 7.412 -2.234 218 3HZ LYS 30 3HZ LYS 30 -11.684 8.252 -1.280 219 H VAL 31 H VAL 31 -6.733 5.525 -0.282 220 HA VAL 31 HA VAL 31 -7.810 3.363 -1.831 221 HB VAL 31 HB VAL 31 -8.873 4.072 0.836 222 1HG1 VAL 31 1HG1 VAL 31 -9.727 2.070 -0.265 223 2HG1 VAL 31 2HG1 VAL 31 -8.047 1.453 -0.445 224 3HG1 VAL 31 3HG1 VAL 31 -8.767 1.636 1.193 225 1HG2 VAL 31 1HG2 VAL 31 -6.087 2.979 0.358 226 2HG2 VAL 31 2HG2 VAL 31 -6.498 4.583 1.058 227 3HG2 VAL 31 3HG2 VAL 31 -6.912 3.079 1.953 228 H THR 32 H THR 32 -9.470 3.353 -3.111 229 HA THR 32 HA THR 32 -11.222 5.645 -3.242 230 HB THR 32 HB THR 32 -10.855 3.120 -4.803 231 HG1 THR 32 HG1 THR 32 -10.612 4.851 -6.358 232 1HG2 THR 32 1HG2 THR 32 -13.377 3.486 -4.628 233 2HG2 THR 32 2HG2 THR 32 -13.099 5.164 -5.210 234 3HG2 THR 32 3HG2 THR 32 -12.725 3.768 -6.279 235 H THR 33 H THR 33 -13.192 5.951 -2.481 236 HA THR 33 HA THR 33 -14.154 4.626 -0.277 237 HB THR 33 HB THR 33 -14.989 6.809 -1.152 238 HG1 THR 33 HG1 THR 33 -17.163 6.229 -0.513 239 1HG2 THR 33 1HG2 THR 33 -15.379 6.054 -3.561 240 2HG2 THR 33 2HG2 THR 33 -16.701 5.005 -2.940 241 3HG2 THR 33 3HG2 THR 33 -16.830 6.792 -2.797 242 H SER 34 H SER 34 -14.035 3.479 -3.455 243 HA SER 34 HA SER 34 -16.120 1.456 -2.987 244 1HB SER 34 2HB SER 34 -16.359 1.400 -5.195 245 2HB SER 34 1HB SER 34 -15.275 2.775 -5.263 246 HG SER 34 HG SER 34 -14.578 1.043 -6.608 247 H ILE 35 H ILE 35 -13.295 1.765 -1.765 248 HA ILE 35 HA ILE 35 -11.913 -0.601 -2.624 249 HB ILE 35 HB ILE 35 -11.255 1.608 -1.181 250 1HG1 ILE 35 2HG1 ILE 35 -9.976 -0.420 -2.511 251 2HG1 ILE 35 1HG1 ILE 35 -9.220 0.997 -1.810 252 1HG2 ILE 35 1HG2 ILE 35 -12.184 0.712 0.877 253 2HG2 ILE 35 2HG2 ILE 35 -11.182 -0.769 0.690 254 3HG2 ILE 35 3HG2 ILE 35 -10.392 0.818 0.986 255 1HD1 ILE 35 1HG1 ILE 35 -8.867 -0.214 0.317 256 2HD1 ILE 35 2HG1 ILE 35 -9.643 -1.668 -0.403 257 3HD1 ILE 35 3HG1 ILE 35 -8.083 -1.063 -1.061 258 H THR 36 H THR 36 -11.265 -2.259 -0.882 259 HA THR 36 HA THR 36 -13.683 -3.656 -0.222 260 HB THR 36 HB THR 36 -11.743 -4.927 -0.886 261 HG1 THR 36 HG1 THR 36 -11.663 -6.224 1.060 262 1HG2 THR 36 1HG2 THR 36 -9.973 -3.307 -0.011 263 2HG2 THR 36 2HG2 THR 36 -10.417 -3.835 1.650 264 3HG2 THR 36 3HG2 THR 36 -9.698 -5.010 0.495 265 H SER 37 H SER 37 -14.954 -3.419 1.431 266 HA SER 37 HA SER 37 -13.786 -2.285 3.916 267 1HB SER 37 2HB SER 37 -15.276 -0.647 3.772 268 2HB SER 37 1HB SER 37 -16.010 -1.383 2.361 269 HG SER 37 HG SER 37 -17.492 -1.168 4.107 270 H LYS 38 H LYS 38 -15.748 -4.690 2.404 271 HA LYS 38 HA LYS 38 -16.327 -5.878 5.050 272 1HB LYS 38 2HB LYS 38 -18.237 -6.803 4.225 273 2HB LYS 38 1HB LYS 38 -18.142 -5.356 3.242 274 1HG LYS 38 2HG LYS 38 -17.170 -6.598 1.415 275 2HG LYS 38 1HG LYS 38 -17.069 -8.043 2.402 276 1HD LYS 38 2HD LYS 38 -19.756 -6.877 2.220 277 2HD LYS 38 1HD LYS 38 -19.121 -7.480 0.703 278 1HE LYS 38 2HE LYS 38 -18.469 -9.483 2.472 279 2HE LYS 38 1HE LYS 38 -20.034 -8.950 3.051 280 1HZ LYS 38 1HZ LYS 38 -20.895 -9.244 0.845 281 2HZ LYS 38 2HZ LYS 38 -19.416 -9.748 0.299 282 3HZ LYS 38 3HZ LYS 38 -20.245 -10.661 1.404 283 H LYS 39 H LYS 39 -15.149 -6.628 1.811 284 HA LYS 39 HA LYS 39 -14.306 -9.270 2.493 285 1HB LYS 39 2HB LYS 39 -14.579 -7.852 0.162 286 2HB LYS 39 1HB LYS 39 -12.846 -8.074 0.299 287 1HG LYS 39 2HG LYS 39 -14.551 -10.432 0.856 288 2HG LYS 39 1HG LYS 39 -14.437 -9.910 -0.813 289 1HD LYS 39 2HD LYS 39 -12.007 -10.352 0.900 290 2HD LYS 39 1HD LYS 39 -12.730 -11.637 -0.047 291 1HE LYS 39 2HE LYS 39 -12.454 -10.231 -2.080 292 2HE LYS 39 1HE LYS 39 -11.618 -9.041 -1.103 293 1HZ LYS 39 1HZ LYS 39 -9.987 -10.697 -0.568 294 2HZ LYS 39 2HZ LYS 39 -10.777 -11.821 -1.491 295 3HZ LYS 39 3HZ LYS 39 -10.089 -10.497 -2.209 296 H TRP 40 H TRP 40 -12.689 -9.959 3.633 297 HA TRP 40 HA TRP 40 -10.239 -8.347 3.765 298 1HB TRP 40 2HB TRP 40 -11.828 -9.108 6.188 299 2HB TRP 40 1HB TRP 40 -10.160 -8.574 6.238 300 HD1 TRP 40 HD1 TRP 40 -13.064 -7.065 7.289 301 HE1 TRP 40 HE1 TRP 40 -9.533 -6.817 3.654 302 HE3 TRP 40 HE3 TRP 40 -13.287 -4.533 6.789 303 HZ2 TRP 40 HZ2 TRP 40 -9.111 -4.605 2.592 304 HZ3 TRP 40 HZ3 TRP 40 -12.068 -2.673 5.024 305 HH2 TRP 40 HH2 TRP 40 -10.312 -2.580 3.225 306 H GLY 41 H GLY 41 -8.522 -9.564 3.564 307 1HA GLY 41 2HA GLY 41 -8.855 -12.484 4.057 308 2HA GLY 41 1HA GLY 41 -7.897 -11.826 2.746 309 H THR 42 H THR 42 -6.940 -13.657 4.641 310 HA THR 42 HA THR 42 -5.583 -12.509 6.813 311 HB THR 42 HB THR 42 -5.787 -14.897 6.679 312 HG1 THR 42 HG1 THR 42 -3.499 -15.356 6.839 313 1HG2 THR 42 1HG2 THR 42 -5.755 -15.082 4.130 314 2HG2 THR 42 2HG2 THR 42 -3.994 -14.726 4.201 315 3HG2 THR 42 3HG2 THR 42 -4.638 -16.230 4.947 316 H ARG 43 H ARG 43 -4.757 -12.708 3.422 317 HA ARG 43 HA ARG 43 -2.181 -11.364 3.937 318 1HB ARG 43 2HB ARG 43 -3.246 -13.045 1.802 319 2HB ARG 43 1HB ARG 43 -2.358 -11.649 1.225 320 1HG ARG 43 2HG ARG 43 -0.708 -12.519 3.194 321 2HG ARG 43 1HG ARG 43 -1.391 -14.037 2.646 322 1HD ARG 43 2HD ARG 43 -0.492 -12.163 0.540 323 2HD ARG 43 1HD ARG 43 0.764 -12.920 1.499 324 HE ARG 43 HE ARG 43 -0.991 -14.981 0.773 325 1HH1 ARG 43 2HH1 ARG 43 1.117 -12.657 -0.907 326 2HH1 ARG 43 HH22 ARG 43 1.394 -13.714 -2.273 327 1HH2 ARG 43 1HH1 ARG 43 -0.626 -16.328 -0.989 328 2HH2 ARG 43 2HH1 ARG 43 0.393 -15.814 -2.314 329 H ASP 44 H ASP 44 -5.202 -10.406 3.798 330 HA ASP 44 HA ASP 44 -4.712 -8.085 2.008 331 1HB ASP 44 2HB ASP 44 -6.963 -9.707 2.429 332 2HB ASP 44 1HB ASP 44 -7.332 -8.158 3.160 333 H LEU 45 H LEU 45 -5.523 -5.993 2.761 334 HA LEU 45 HA LEU 45 -4.839 -5.662 5.608 335 1HB LEU 45 2HB LEU 45 -3.786 -4.388 3.582 336 2HB LEU 45 1HB LEU 45 -5.182 -3.353 3.807 337 HG LEU 45 HG LEU 45 -4.477 -3.026 6.146 338 1HD1 LEU 45 1HD1 LEU 45 -3.150 -5.035 6.473 339 2HD1 LEU 45 2HD1 LEU 45 -1.961 -4.454 5.256 340 3HD1 LEU 45 3HD1 LEU 45 -2.166 -3.568 6.807 341 1HD2 LEU 45 1HD2 LEU 45 -2.497 -2.170 4.023 342 2HD2 LEU 45 2HD2 LEU 45 -4.021 -1.328 4.470 343 3HD2 LEU 45 3HD2 LEU 45 -2.669 -1.427 5.651 344 H GLN 46 H GLN 46 -6.100 -4.519 7.043 345 HA GLN 46 HA GLN 46 -8.954 -4.733 6.434 346 1HB GLN 46 2HB GLN 46 -8.250 -5.611 8.555 347 2HB GLN 46 1HB GLN 46 -7.513 -4.081 8.987 348 1HG GLN 46 2HG GLN 46 -9.499 -3.129 9.532 349 2HG GLN 46 1HG GLN 46 -10.359 -3.947 8.243 350 1HE2 GLN 46 1HE2 GLN 46 -8.280 -5.573 10.514 351 2HE2 GLN 46 2HE2 GLN 46 -9.516 -6.446 11.391 352 H VAL 47 H VAL 47 -7.368 -2.763 5.063 353 HA VAL 47 HA VAL 47 -7.806 -0.187 6.185 354 HB VAL 47 HB VAL 47 -7.268 0.662 4.005 355 1HG1 VAL 47 1HG1 VAL 47 -5.414 -0.103 5.393 356 2HG1 VAL 47 2HG1 VAL 47 -5.591 -1.759 4.717 357 3HG1 VAL 47 3HG1 VAL 47 -5.074 -0.405 3.654 358 1HG2 VAL 47 1HG2 VAL 47 -7.542 -2.196 3.038 359 2HG2 VAL 47 2HG2 VAL 47 -8.627 -0.822 2.627 360 3HG2 VAL 47 3HG2 VAL 47 -6.919 -0.818 2.066 361 H LYS 48 H LYS 48 -9.229 1.481 5.327 362 HA LYS 48 HA LYS 48 -11.881 0.303 4.728 363 1HB LYS 48 2HB LYS 48 -11.042 2.276 6.673 364 2HB LYS 48 1HB LYS 48 -12.391 2.818 5.696 365 1HG LYS 48 2HG LYS 48 -13.343 1.696 7.560 366 2HG LYS 48 1HG LYS 48 -13.492 0.594 6.206 367 1HD LYS 48 2HD LYS 48 -12.716 -0.703 8.046 368 2HD LYS 48 1HD LYS 48 -11.340 -0.475 6.985 369 1HE LYS 48 2HE LYS 48 -10.267 0.199 8.853 370 2HE LYS 48 1HE LYS 48 -11.142 1.700 8.627 371 1HZ LYS 48 1HZ LYS 48 -12.864 0.852 10.043 372 2HZ LYS 48 2HZ LYS 48 -12.037 -0.566 10.256 373 3HZ LYS 48 3HZ LYS 48 -11.412 0.852 10.838 374 HA PRO 49 HA PRO 49 -11.935 2.443 0.996 375 1HB PRO 49 2HB PRO 49 -14.645 2.790 0.632 376 2HB PRO 49 1HB PRO 49 -13.767 1.312 0.295 377 1HG PRO 49 2HG PRO 49 -15.590 1.915 2.503 378 2HG PRO 49 1HG PRO 49 -15.047 0.358 1.912 379 1HD PRO 49 2HD PRO 49 -14.154 1.717 4.243 380 2HD PRO 49 1HD PRO 49 -13.531 0.216 3.589 381 H GLY 50 H GLY 50 -11.527 4.445 0.396 382 1HA GLY 50 2HA GLY 50 -12.074 6.763 0.195 383 2HA GLY 50 1HA GLY 50 -13.043 6.655 1.650 384 H GLU 51 H GLU 51 -10.180 4.968 1.995 385 HA GLU 51 HA GLU 51 -9.043 7.186 3.582 386 1HB GLU 51 2HB GLU 51 -9.251 4.354 3.997 387 2HB GLU 51 1HB GLU 51 -7.582 4.877 4.106 388 1HG GLU 51 2HG GLU 51 -8.535 5.047 6.297 389 2HG GLU 51 1HG GLU 51 -8.332 6.675 5.683 390 H SER 52 H SER 52 -6.590 7.109 3.753 391 HA SER 52 HA SER 52 -5.463 6.687 1.040 392 1HB SER 52 2HB SER 52 -5.862 9.083 1.455 393 2HB SER 52 1HB SER 52 -4.824 8.987 2.863 394 HG SER 52 HG SER 52 -3.710 9.759 1.004 395 H LEU 53 H LEU 53 -3.729 5.482 0.939 396 HA LEU 53 HA LEU 53 -1.989 5.309 3.300 397 1HB LEU 53 2HB LEU 53 -3.590 3.508 3.553 398 2HB LEU 53 1HB LEU 53 -3.153 2.899 1.969 399 HG LEU 53 HG LEU 53 -0.903 2.451 2.786 400 1HD1 LEU 53 1HD1 LEU 53 -0.730 4.138 4.524 401 2HD1 LEU 53 2HD1 LEU 53 -1.992 3.288 5.482 402 3HD1 LEU 53 3HD1 LEU 53 -0.400 2.503 5.196 403 1HD2 LEU 53 1HD2 LEU 53 -3.106 1.144 4.397 404 2HD2 LEU 53 2HD2 LEU 53 -2.540 0.656 2.762 405 3HD2 LEU 53 3HD2 LEU 53 -1.445 0.492 4.178 406 H GLU 54 H GLU 54 0.059 4.167 2.818 407 HA GLU 54 HA GLU 54 1.093 5.248 0.338 408 1HB GLU 54 2HB GLU 54 2.208 4.179 2.805 409 2HB GLU 54 1HB GLU 54 3.121 3.743 1.375 410 1HG GLU 54 2HG GLU 54 3.000 6.215 0.743 411 2HG GLU 54 1HG GLU 54 2.463 6.493 2.388 412 H VAL 55 H VAL 55 1.630 4.271 -1.490 413 HA VAL 55 HA VAL 55 0.889 1.412 -1.682 414 HB VAL 55 HB VAL 55 0.736 3.698 -3.528 415 1HG1 VAL 55 1HG1 VAL 55 2.235 2.219 -4.757 416 2HG1 VAL 55 2HG1 VAL 55 1.099 0.850 -4.494 417 3HG1 VAL 55 3HG1 VAL 55 0.604 2.245 -5.514 418 1HG2 VAL 55 1HG2 VAL 55 -1.029 1.283 -3.045 419 2HG2 VAL 55 2HG2 VAL 55 -1.270 2.933 -2.372 420 3HG2 VAL 55 3HG2 VAL 55 -1.410 2.655 -4.143 421 H ILE 56 H ILE 56 2.321 -0.096 -2.075 422 HA ILE 56 HA ILE 56 5.106 0.776 -2.405 423 HB ILE 56 HB ILE 56 4.087 -1.971 -1.856 424 1HG1 ILE 56 2HG1 ILE 56 4.807 0.223 0.043 425 2HG1 ILE 56 1HG1 ILE 56 3.306 -0.675 -0.059 426 1HG2 ILE 56 1HG2 ILE 56 6.340 -1.960 -2.762 427 2HG2 ILE 56 2HG2 ILE 56 6.838 -0.755 -1.525 428 3HG2 ILE 56 3HG2 ILE 56 6.362 -2.414 -1.023 429 1HD1 ILE 56 1HG1 ILE 56 4.469 -2.744 0.634 430 2HD1 ILE 56 2HG1 ILE 56 6.010 -1.823 0.739 431 3HD1 ILE 56 3HG1 ILE 56 4.657 -1.443 1.861 432 H GLN 57 H GLN 57 5.482 -2.097 -3.480 433 HA GLN 57 HA GLN 57 5.245 -1.258 -6.292 434 1HB GLN 57 2HB GLN 57 7.382 -2.239 -5.129 435 2HB GLN 57 1HB GLN 57 6.613 -3.768 -5.504 436 1HG GLN 57 2HG GLN 57 7.556 -3.576 -7.532 437 2HG GLN 57 1HG GLN 57 6.348 -2.347 -7.850 438 1HE2 GLN 57 1HE2 GLN 57 9.388 -2.938 -8.361 439 2HE2 GLN 57 2HE2 GLN 57 10.137 -1.373 -8.137 440 H THR 58 H THR 58 4.505 -2.701 -7.921 441 HA THR 58 HA THR 58 2.016 -3.903 -7.203 442 HB THR 58 HB THR 58 2.205 -4.670 -9.698 443 HG1 THR 58 HG1 THR 58 3.965 -3.474 -10.671 444 1HG2 THR 58 1HG2 THR 58 1.008 -2.532 -8.975 445 2HG2 THR 58 2HG2 THR 58 2.600 -1.700 -9.060 446 3HG2 THR 58 3HG2 THR 58 1.860 -2.379 -10.551 447 H THR 59 H THR 59 1.574 -5.790 -6.396 448 HA THR 59 HA THR 59 3.519 -7.679 -5.707 449 HB THR 59 HB THR 59 0.541 -7.649 -5.839 450 HG1 THR 59 HG1 THR 59 1.066 -8.061 -3.596 451 1HG2 THR 59 1HG2 THR 59 1.208 -10.012 -6.544 452 2HG2 THR 59 2HG2 THR 59 2.230 -10.083 -5.066 453 3HG2 THR 59 3HG2 THR 59 0.444 -9.937 -4.918 454 H ASP 60 H ASP 60 0.948 -8.411 -8.021 455 HA ASP 60 HA ASP 60 2.910 -10.035 -9.552 456 1HB ASP 60 2HB ASP 60 1.089 -11.387 -8.923 457 2HB ASP 60 1HB ASP 60 -0.071 -10.127 -9.294 458 H ASP 61 H ASP 61 -0.171 -8.959 -10.742 459 HA ASP 61 HA ASP 61 1.233 -7.241 -12.732 460 1HB ASP 61 2HB ASP 61 -1.362 -8.718 -13.074 461 2HB ASP 61 1HB ASP 61 -0.537 -7.765 -14.291 462 H THR 62 H THR 62 -1.955 -7.829 -11.268 463 HA THR 62 HA THR 62 -2.312 -4.885 -11.128 464 HB THR 62 HB THR 62 -4.713 -6.632 -11.211 465 HG1 THR 62 HG1 THR 62 -4.308 -6.821 -13.508 466 1HG2 THR 62 1HG2 THR 62 -4.817 -4.081 -11.330 467 2HG2 THR 62 2HG2 THR 62 -3.846 -4.187 -12.840 468 3HG2 THR 62 3HG2 THR 62 -5.497 -4.895 -12.781 469 H LYS 63 H LYS 63 -1.043 -5.288 -9.114 470 HA LYS 63 HA LYS 63 -2.926 -5.346 -6.919 471 1HB LYS 63 2HB LYS 63 -2.606 -7.698 -7.061 472 2HB LYS 63 1HB LYS 63 -0.866 -7.510 -7.146 473 1HG LYS 63 2HG LYS 63 -1.086 -8.007 -4.916 474 2HG LYS 63 1HG LYS 63 -1.241 -6.263 -4.842 475 1HD LYS 63 2HD LYS 63 -3.126 -6.750 -3.677 476 2HD LYS 63 1HD LYS 63 -3.814 -6.944 -5.277 477 1HE LYS 63 2HE LYS 63 -3.609 -9.301 -5.192 478 2HE LYS 63 1HE LYS 63 -2.533 -9.234 -3.810 479 1HZ LYS 63 1HZ LYS 63 -4.346 -8.406 -2.500 480 2HZ LYS 63 2HZ LYS 63 -5.363 -8.469 -3.805 481 3HZ LYS 63 3HZ LYS 63 -4.741 -9.867 -3.172 482 H VAL 64 H VAL 64 -2.395 -3.927 -5.450 483 HA VAL 64 HA VAL 64 0.431 -3.023 -5.416 484 HB VAL 64 HB VAL 64 -0.224 -0.799 -5.197 485 1HG1 VAL 64 1HG1 VAL 64 -0.374 -1.606 -7.495 486 2HG1 VAL 64 2HG1 VAL 64 -2.086 -2.079 -7.216 487 3HG1 VAL 64 3HG1 VAL 64 -1.616 -0.344 -7.181 488 1HG2 VAL 64 1HG2 VAL 64 -3.074 -1.756 -4.822 489 2HG2 VAL 64 2HG2 VAL 64 -2.002 -1.074 -3.550 490 3HG2 VAL 64 3HG2 VAL 64 -2.552 -0.038 -4.913 491 H LEU 65 H LEU 65 1.451 -3.205 -3.584 492 HA LEU 65 HA LEU 65 -0.106 -3.997 -1.232 493 1HB LEU 65 2HB LEU 65 1.575 -5.426 -1.165 494 2HB LEU 65 1HB LEU 65 2.594 -4.422 -2.177 495 HG LEU 65 HG LEU 65 2.816 -3.028 0.019 496 1HD1 LEU 65 1HD1 LEU 65 1.233 -4.303 1.349 497 2HD1 LEU 65 2HD1 LEU 65 2.201 -5.794 1.081 498 3HD1 LEU 65 3HD1 LEU 65 2.888 -4.437 2.039 499 1HD2 LEU 65 1HD2 LEU 65 4.326 -5.601 -0.490 500 2HD2 LEU 65 2HD2 LEU 65 4.684 -3.989 -1.201 501 3HD2 LEU 65 3HD2 LEU 65 4.881 -4.255 0.566 502 H CYS 66 H CYS 66 -0.742 -2.672 0.253 503 HA CYS 66 HA CYS 66 0.398 0.039 0.277 504 1HB CYS 66 2HB CYS 66 -1.949 -0.962 1.863 505 2HB CYS 66 1HB CYS 66 -1.494 0.704 1.571 506 HG CYS 66 HG CYS 66 -3.745 0.104 -0.105 507 H ARG 67 H ARG 67 1.007 1.057 2.262 508 HA ARG 67 HA ARG 67 1.857 -0.847 4.364 509 1HB ARG 67 2HB ARG 67 3.676 0.012 2.593 510 2HB ARG 67 1HB ARG 67 3.735 1.339 3.736 511 1HG ARG 67 2HG ARG 67 3.917 -0.520 5.529 512 2HG ARG 67 1HG ARG 67 4.364 -1.553 4.187 513 1HD ARG 67 2HD ARG 67 6.384 -0.529 3.896 514 2HD ARG 67 1HD ARG 67 5.774 1.042 4.374 515 HE ARG 67 HE ARG 67 5.873 -0.867 6.572 516 1HH1 ARG 67 2HH1 ARG 67 7.742 1.542 4.737 517 2HH1 ARG 67 HH22 ARG 67 8.869 1.838 6.042 518 1HH2 ARG 67 1HH1 ARG 67 7.328 -0.477 8.239 519 2HH2 ARG 67 2HH1 ARG 67 8.627 0.679 8.045 520 H ASN 68 H ASN 68 1.833 -0.099 6.414 521 HA ASN 68 HA ASN 68 0.864 2.699 6.759 522 1HB ASN 68 2HB ASN 68 -0.034 1.584 8.988 523 2HB ASN 68 1HB ASN 68 -0.978 1.544 7.513 524 1HD2 ASN 68 1HD2 ASN 68 1.352 -0.218 9.476 525 2HD2 ASN 68 2HD2 ASN 68 0.878 -1.832 8.995 526 H GLU 69 H GLU 69 1.738 3.901 8.379 527 HA GLU 69 HA GLU 69 4.385 3.394 9.129 528 1HB GLU 69 2HB GLU 69 2.562 5.469 9.493 529 2HB GLU 69 1HB GLU 69 3.088 5.021 11.103 530 1HG GLU 69 2HG GLU 69 4.936 5.637 8.802 531 2HG GLU 69 1HG GLU 69 4.523 6.763 10.080 532 H GLU 70 H GLU 70 1.551 1.983 10.244 533 HA GLU 70 HA GLU 70 2.181 1.479 12.947 534 1HB GLU 70 2HB GLU 70 0.054 0.926 11.404 535 2HB GLU 70 1HB GLU 70 0.783 -0.665 11.506 536 1HG GLU 70 2HG GLU 70 -0.826 -0.354 13.312 537 2HG GLU 70 1HG GLU 70 0.797 -0.491 13.960 538 H GLY 71 H GLY 71 3.737 0.506 10.162 539 1HA GLY 71 2HA GLY 71 5.731 -0.718 10.056 540 2HA GLY 71 1HA GLY 71 5.470 -1.285 11.694 541 H LYS 72 H LYS 72 2.794 -1.499 9.596 542 HA LYS 72 HA LYS 72 3.378 -4.357 9.093 543 1HB LYS 72 2HB LYS 72 1.833 -4.547 10.788 544 2HB LYS 72 1HB LYS 72 0.935 -3.135 10.267 545 1HG LYS 72 2HG LYS 72 1.084 -5.484 8.441 546 2HG LYS 72 1HG LYS 72 0.007 -5.562 9.821 547 1HD LYS 72 2HD LYS 72 -0.048 -3.180 8.015 548 2HD LYS 72 1HD LYS 72 -0.894 -4.645 7.559 549 1HE LYS 72 2HE LYS 72 -2.523 -4.318 9.087 550 2HE LYS 72 1HE LYS 72 -1.388 -3.804 10.319 551 1HZ LYS 72 1HZ LYS 72 -1.284 -1.667 9.263 552 2HZ LYS 72 2HZ LYS 72 -2.356 -2.153 8.099 553 3HZ LYS 72 3HZ LYS 72 -2.846 -2.031 9.676 554 H TYR 73 H TYR 73 2.540 -5.276 7.224 555 HA TYR 73 HA TYR 73 1.856 -3.249 5.139 556 1HB TYR 73 2HB TYR 73 3.332 -5.875 5.070 557 2HB TYR 73 1HB TYR 73 2.889 -4.978 3.632 558 HD1 TYR 73 HD1 TYR 73 4.590 -3.767 2.660 559 HD2 TYR 73 HD2 TYR 73 4.561 -4.258 6.899 560 HE1 TYR 73 HE1 TYR 73 6.740 -2.433 2.837 561 HE2 TYR 73 HE2 TYR 73 6.712 -2.923 7.061 562 HH TYR 73 HH TYR 73 8.224 -1.848 5.966 563 H GLY 74 H GLY 74 0.587 -4.089 3.323 564 1HA GLY 74 2HA GLY 74 -1.023 -6.476 3.798 565 2HA GLY 74 1HA GLY 74 -1.904 -4.966 3.913 566 H TYR 75 H TYR 75 -2.444 -6.986 2.038 567 HA TYR 75 HA TYR 75 -1.423 -5.870 -0.523 568 1HB TYR 75 2HB TYR 75 -2.583 -8.449 0.438 569 2HB TYR 75 1HB TYR 75 -2.691 -8.046 -1.264 570 HD1 TYR 75 HD1 TYR 75 -0.101 -6.743 -1.748 571 HD2 TYR 75 HD2 TYR 75 -1.051 -10.210 0.551 572 HE1 TYR 75 HE1 TYR 75 2.248 -7.631 -2.104 573 HE2 TYR 75 HE2 TYR 75 1.300 -11.087 0.190 574 HH TYR 75 HH TYR 75 3.217 -10.711 -0.719 575 H VAL 76 H VAL 76 -2.832 -5.337 -2.195 576 HA VAL 76 HA VAL 76 -5.697 -5.189 -1.514 577 HB VAL 76 HB VAL 76 -4.412 -2.831 -2.766 578 1HG1 VAL 76 1HG1 VAL 76 -6.847 -2.964 -2.802 579 2HG1 VAL 76 2HG1 VAL 76 -6.861 -3.177 -1.016 580 3HG1 VAL 76 3HG1 VAL 76 -6.298 -1.627 -1.733 581 1HG2 VAL 76 1HG2 VAL 76 -4.566 -3.320 0.220 582 2HG2 VAL 76 2HG2 VAL 76 -3.067 -3.202 -0.766 583 3HG2 VAL 76 3HG2 VAL 76 -4.126 -1.763 -0.564 584 H LEU 77 H LEU 77 -6.903 -5.979 -3.042 585 HA LEU 77 HA LEU 77 -5.686 -6.697 -5.566 586 1HB LEU 77 2HB LEU 77 -7.593 -7.826 -4.081 587 2HB LEU 77 1HB LEU 77 -8.579 -6.980 -5.256 588 HG LEU 77 HG LEU 77 -6.704 -9.236 -5.638 589 1HD1 LEU 77 1HD1 LEU 77 -9.050 -9.761 -5.294 590 2HD1 LEU 77 2HD1 LEU 77 -9.499 -8.669 -6.651 591 3HD1 LEU 77 3HD1 LEU 77 -8.553 -10.164 -6.975 592 1HD2 LEU 77 1HD2 LEU 77 -7.543 -7.323 -7.828 593 2HD2 LEU 77 2HD2 LEU 77 -5.875 -7.577 -7.207 594 3HD2 LEU 77 3HD2 LEU 77 -6.721 -8.902 -8.079 595 H ARG 78 H ARG 78 -6.046 -5.919 -7.570 596 HA ARG 78 HA ARG 78 -6.511 -3.159 -7.821 597 1HB ARG 78 2HB ARG 78 -6.399 -3.459 -10.153 598 2HB ARG 78 1HB ARG 78 -5.370 -4.709 -9.484 599 1HG ARG 78 2HG ARG 78 -6.559 -6.180 -10.683 600 2HG ARG 78 1HG ARG 78 -7.887 -5.878 -9.580 601 1HD ARG 78 2HD ARG 78 -7.372 -4.589 -12.249 602 2HD ARG 78 1HD ARG 78 -8.771 -5.519 -11.753 603 HE ARG 78 HE ARG 78 -9.548 -3.662 -10.448 604 1HH1 ARG 78 2HH1 ARG 78 -6.568 -2.956 -12.256 605 2HH1 ARG 78 HH22 ARG 78 -6.733 -1.223 -12.087 606 1HH2 ARG 78 1HH1 ARG 78 -9.749 -1.435 -10.238 607 2HH2 ARG 78 2HH1 ARG 78 -8.557 -0.358 -10.930 608 H SER 79 H SER 79 -8.677 -5.810 -7.622 609 HA SER 79 HA SER 79 -10.924 -4.895 -8.973 610 1HB SER 79 2HB SER 79 -11.076 -7.038 -8.052 611 2HB SER 79 1HB SER 79 -10.648 -6.473 -6.450 612 HG SER 79 HG SER 79 -12.896 -6.920 -6.650 613 H TYR 80 H TYR 80 -10.199 -4.376 -5.534 614 HA TYR 80 HA TYR 80 -11.884 -1.912 -5.646 615 1HB TYR 80 2HB TYR 80 -12.055 -2.399 -3.156 616 2HB TYR 80 1HB TYR 80 -12.874 -3.525 -4.219 617 HD1 TYR 80 HD1 TYR 80 -12.220 -5.821 -4.349 618 HD2 TYR 80 HD2 TYR 80 -9.936 -3.049 -2.044 619 HE1 TYR 80 HE1 TYR 80 -10.950 -7.742 -3.284 620 HE2 TYR 80 HE2 TYR 80 -8.674 -4.979 -0.987 621 HH TYR 80 HH TYR 80 -8.440 -7.118 -0.906 622 H LEU 81 H LEU 81 -10.030 -0.695 -6.350 623 HA LEU 81 HA LEU 81 -8.605 0.434 -4.144 624 1HB LEU 81 2HB LEU 81 -6.960 -1.044 -4.051 625 2HB LEU 81 1HB LEU 81 -7.310 -1.682 -5.645 626 HG LEU 81 HG LEU 81 -6.198 0.522 -6.438 627 1HD1 LEU 81 1HD1 LEU 81 -5.971 1.570 -4.258 628 2HD1 LEU 81 2HD1 LEU 81 -4.970 0.188 -3.692 629 3HD1 LEU 81 3HD1 LEU 81 -4.354 1.273 -4.986 630 1HD2 LEU 81 1HD2 LEU 81 -4.609 -1.825 -5.376 631 2HD2 LEU 81 2HD2 LEU 81 -5.386 -1.699 -6.993 632 3HD2 LEU 81 3HD2 LEU 81 -4.016 -0.615 -6.567 633 H ALA 82 H ALA 82 -6.867 2.006 -5.012 634 HA ALA 82 HA ALA 82 -8.256 3.626 -6.988 635 1HB ALA 82 1HB ALA 82 -7.292 4.675 -4.995 636 2HB ALA 82 2HB ALA 82 -5.662 4.091 -5.480 637 3HB ALA 82 3HB ALA 82 -6.517 5.311 -6.487 638 H ASP 83 H ASP 83 -6.799 4.770 -8.650 639 HA ASP 83 HA ASP 83 -6.059 2.881 -10.600 640 1HB ASP 83 2HB ASP 83 -4.826 5.602 -10.408 641 2HB ASP 83 1HB ASP 83 -5.185 4.673 -11.850 Start of MODEL 5 1 H GLU 7 H1 GLU 7 6.633 -4.883 15.676 2 HA GLU 7 HA GLU 7 8.570 -4.452 14.456 3 1HB GLU 7 2HB GLU 7 9.817 -5.334 16.915 4 2HB GLU 7 1HB GLU 7 10.485 -6.129 15.504 5 1HG GLU 7 2HG GLU 7 10.271 -3.496 14.705 6 2HG GLU 7 1HG GLU 7 10.765 -3.368 16.381 7 H LYS 8 H LYS 8 7.724 -7.371 16.226 8 HA LYS 8 HA LYS 8 8.383 -9.178 14.137 9 1HB LYS 8 2HB LYS 8 6.474 -9.485 16.429 10 2HB LYS 8 1HB LYS 8 6.984 -10.790 15.377 11 1HG LYS 8 2HG LYS 8 9.390 -9.837 16.070 12 2HG LYS 8 1HG LYS 8 8.487 -9.377 17.500 13 1HD LYS 8 2HD LYS 8 8.144 -11.540 18.147 14 2HD LYS 8 1HD LYS 8 8.092 -12.136 16.500 15 1HE LYS 8 2HE LYS 8 10.710 -11.092 17.169 16 2HE LYS 8 1HE LYS 8 10.225 -12.365 18.271 17 1HZ LYS 8 1HZ LYS 8 9.771 -13.756 16.387 18 2HZ LYS 8 2HZ LYS 8 10.229 -12.553 15.346 19 3HZ LYS 8 3HZ LYS 8 11.345 -13.241 16.358 20 H GLU 9 H GLU 9 6.032 -6.836 14.387 21 HA GLU 9 HA GLU 9 3.869 -8.040 13.015 22 1HB GLU 9 2HB GLU 9 3.397 -5.599 12.327 23 2HB GLU 9 1HB GLU 9 3.321 -6.034 14.022 24 1HG GLU 9 2HG GLU 9 5.332 -4.976 14.518 25 2HG GLU 9 1HG GLU 9 5.889 -5.042 12.858 26 H GLU 10 H GLU 10 6.779 -6.430 11.904 27 HA GLU 10 HA GLU 10 6.047 -6.435 9.138 28 1HB GLU 10 2HB GLU 10 7.706 -4.891 9.737 29 2HB GLU 10 1HB GLU 10 8.662 -6.111 10.555 30 1HG GLU 10 2HG GLU 10 9.327 -7.103 8.508 31 2HG GLU 10 1HG GLU 10 8.113 -6.222 7.602 32 H LYS 11 H LYS 11 7.509 -8.728 11.287 33 HA LYS 11 HA LYS 11 8.543 -10.458 9.268 34 1HB LYS 11 2HB LYS 11 7.862 -10.938 12.145 35 2HB LYS 11 1HB LYS 11 8.604 -12.145 11.115 36 1HG LYS 11 2HG LYS 11 9.785 -9.406 11.490 37 2HG LYS 11 1HG LYS 11 10.187 -10.751 12.538 38 1HD LYS 11 2HD LYS 11 11.552 -11.662 11.007 39 2HD LYS 11 1HD LYS 11 10.378 -11.448 9.724 40 1HE LYS 11 2HE LYS 11 11.067 -9.155 9.404 41 2HE LYS 11 1HE LYS 11 12.131 -9.242 10.793 42 1HZ LYS 11 1HZ LYS 11 13.411 -10.898 9.649 43 2HZ LYS 11 2HZ LYS 11 12.405 -10.816 8.336 44 3HZ LYS 11 3HZ LYS 11 13.332 -9.509 8.751 45 H ASP 12 H ASP 12 5.443 -10.012 10.752 46 HA ASP 12 HA ASP 12 4.202 -12.432 9.963 47 1HB ASP 12 2HB ASP 12 3.312 -10.508 11.445 48 2HB ASP 12 1HB ASP 12 2.775 -9.810 9.931 49 H PHE 13 H PHE 13 4.594 -9.310 8.357 50 HA PHE 13 HA PHE 13 3.098 -9.958 6.007 51 1HB PHE 13 2HB PHE 13 3.426 -7.713 6.184 52 2HB PHE 13 1HB PHE 13 4.987 -7.906 6.957 53 HD1 PHE 13 HD1 PHE 13 7.003 -8.240 5.597 54 HD2 PHE 13 HD2 PHE 13 3.242 -7.438 3.829 55 HE1 PHE 13 HE1 PHE 13 8.140 -7.653 3.445 56 HE2 PHE 13 HE2 PHE 13 4.379 -6.851 1.677 57 HZ PHE 13 HZ PHE 13 6.814 -6.964 1.512 58 H ARG 14 H ARG 14 6.588 -9.852 6.675 59 HA ARG 14 HA ARG 14 7.434 -10.778 4.147 60 1HB ARG 14 2HB ARG 14 9.175 -9.911 5.380 61 2HB ARG 14 1HB ARG 14 8.667 -10.712 6.853 62 1HG ARG 14 2HG ARG 14 9.588 -12.760 6.204 63 2HG ARG 14 1HG ARG 14 9.628 -12.311 4.511 64 1HD ARG 14 2HD ARG 14 11.449 -10.782 4.895 65 2HD ARG 14 1HD ARG 14 11.331 -11.007 6.629 66 HE ARG 14 HE ARG 14 11.745 -13.551 5.434 67 1HH1 ARG 14 2HH1 ARG 14 13.502 -10.507 5.981 68 2HH1 ARG 14 HH22 ARG 14 15.073 -11.276 5.996 69 1HH2 ARG 14 1HH1 ARG 14 13.768 -14.527 5.455 70 2HH2 ARG 14 2HH1 ARG 14 15.219 -13.580 5.694 71 H LYS 15 H LYS 15 6.197 -12.413 6.940 72 HA LYS 15 HA LYS 15 7.114 -15.009 6.446 73 1HB LYS 15 2HB LYS 15 6.113 -14.957 8.460 74 2HB LYS 15 1HB LYS 15 4.872 -13.836 7.935 75 1HG LYS 15 2HG LYS 15 4.765 -16.520 6.719 76 2HG LYS 15 1HG LYS 15 4.405 -16.448 8.432 77 1HD LYS 15 2HD LYS 15 3.075 -14.322 6.994 78 2HD LYS 15 1HD LYS 15 2.651 -15.892 6.341 79 1HE LYS 15 2HE LYS 15 2.544 -15.256 9.281 80 2HE LYS 15 1HE LYS 15 1.168 -15.068 8.213 81 1HZ LYS 15 1HZ LYS 15 1.332 -17.385 7.672 82 2HZ LYS 15 2HZ LYS 15 2.632 -17.563 8.682 83 3HZ LYS 15 3HZ LYS 15 1.145 -17.186 9.305 84 H LYS 16 H LYS 16 4.009 -13.599 5.466 85 HA LYS 16 HA LYS 16 3.647 -15.754 3.536 86 1HB LYS 16 2HB LYS 16 1.830 -14.648 4.998 87 2HB LYS 16 1HB LYS 16 1.824 -13.412 3.757 88 1HG LYS 16 2HG LYS 16 0.129 -15.105 3.284 89 2HG LYS 16 1HG LYS 16 1.379 -15.129 2.056 90 1HD LYS 16 2HD LYS 16 2.059 -16.896 4.228 91 2HD LYS 16 1HD LYS 16 0.479 -17.292 3.584 92 1HE LYS 16 2HE LYS 16 2.407 -16.749 1.482 93 2HE LYS 16 1HE LYS 16 2.917 -18.067 2.517 94 1HZ LYS 16 1HZ LYS 16 0.801 -19.107 2.155 95 2HZ LYS 16 2HZ LYS 16 0.319 -17.861 1.176 96 3HZ LYS 16 3HZ LYS 16 1.568 -18.844 0.712 97 H PHE 17 H PHE 17 4.644 -12.446 3.654 98 HA PHE 17 HA PHE 17 4.588 -12.127 0.740 99 1HB PHE 17 2HB PHE 17 5.451 -10.469 3.088 100 2HB PHE 17 1HB PHE 17 5.732 -9.950 1.439 101 HD1 PHE 17 HD1 PHE 17 2.900 -11.306 3.438 102 HD2 PHE 17 HD2 PHE 17 4.221 -8.447 0.608 103 HE1 PHE 17 HE1 PHE 17 0.599 -10.326 3.353 104 HE2 PHE 17 HE2 PHE 17 1.918 -7.467 0.523 105 HZ PHE 17 HZ PHE 17 0.135 -8.417 1.898 106 H LYS 18 H LYS 18 6.232 -14.248 1.979 107 HA LYS 18 HA LYS 18 8.875 -13.828 2.279 108 1HB LYS 18 2HB LYS 18 7.360 -16.014 1.695 109 2HB LYS 18 1HB LYS 18 8.446 -15.935 0.323 110 1HG LYS 18 2HG LYS 18 9.644 -15.554 3.005 111 2HG LYS 18 1HG LYS 18 9.106 -17.171 2.599 112 1HD LYS 18 2HD LYS 18 10.632 -17.390 0.871 113 2HD LYS 18 1HD LYS 18 10.769 -15.659 0.637 114 1HE LYS 18 2HE LYS 18 11.671 -16.720 3.249 115 2HE LYS 18 1HE LYS 18 12.666 -17.104 1.859 116 1HZ LYS 18 1HZ LYS 18 12.782 -14.774 1.360 117 2HZ LYS 18 2HZ LYS 18 11.842 -14.412 2.674 118 3HZ LYS 18 3HZ LYS 18 13.348 -15.066 2.889 119 H TYR 19 H TYR 19 7.284 -12.215 0.108 120 HA TYR 19 HA TYR 19 8.788 -12.380 -2.302 121 1HB TYR 19 2HB TYR 19 6.880 -11.167 -2.574 122 2HB TYR 19 1HB TYR 19 6.922 -10.558 -0.932 123 HD1 TYR 19 HD1 TYR 19 6.993 -8.257 -0.808 124 HD2 TYR 19 HD2 TYR 19 9.098 -10.225 -3.956 125 HE1 TYR 19 HE1 TYR 19 7.816 -6.018 -1.666 126 HE2 TYR 19 HE2 TYR 19 9.914 -7.978 -4.804 127 HH TYR 19 HH TYR 19 9.888 -5.846 -4.498 128 H ASP 20 H ASP 20 10.838 -11.917 -2.668 129 HA ASP 20 HA ASP 20 12.257 -10.121 -0.786 130 1HB ASP 20 2HB ASP 20 13.415 -12.163 -1.071 131 2HB ASP 20 1HB ASP 20 13.179 -12.132 -2.807 132 H GLY 21 H GLY 21 11.761 -8.096 -1.439 133 1HA GLY 21 2HA GLY 21 12.910 -7.279 -4.022 134 2HA GLY 21 1HA GLY 21 11.209 -6.943 -3.769 135 H GLU 22 H GLU 22 12.132 -4.728 -4.169 136 HA GLU 22 HA GLU 22 13.283 -3.596 -1.691 137 1HB GLU 22 2HB GLU 22 13.554 -1.542 -3.239 138 2HB GLU 22 1HB GLU 22 14.653 -2.896 -3.407 139 1HG GLU 22 2HG GLU 22 13.617 -3.653 -5.361 140 2HG GLU 22 1HG GLU 22 12.145 -2.760 -5.036 141 H ILE 23 H ILE 23 11.521 -3.477 -0.394 142 HA ILE 23 HA ILE 23 9.042 -2.367 -1.276 143 HB ILE 23 HB ILE 23 10.108 -3.491 1.116 144 1HG1 ILE 23 2HG1 ILE 23 7.232 -3.092 0.413 145 2HG1 ILE 23 1HG1 ILE 23 8.234 -4.300 -0.365 146 1HG2 ILE 23 1HG2 ILE 23 10.016 -1.244 2.036 147 2HG2 ILE 23 2HG2 ILE 23 8.310 -1.085 1.489 148 3HG2 ILE 23 3HG2 ILE 23 8.738 -2.277 2.765 149 1HD1 ILE 23 1HG1 ILE 23 8.735 -5.330 1.827 150 2HD1 ILE 23 2HG1 ILE 23 7.706 -4.090 2.625 151 3HD1 ILE 23 3HG1 ILE 23 6.966 -5.289 1.509 152 H ARG 24 H ARG 24 8.832 -0.422 -2.025 153 HA ARG 24 HA ARG 24 9.656 1.825 -0.350 154 1HB ARG 24 2HB ARG 24 11.656 1.390 -1.751 155 2HB ARG 24 1HB ARG 24 10.667 1.630 -3.177 156 1HG ARG 24 2HG ARG 24 11.505 3.753 -2.942 157 2HG ARG 24 1HG ARG 24 10.073 3.900 -1.943 158 1HD ARG 24 2HD ARG 24 12.749 3.102 -0.820 159 2HD ARG 24 1HD ARG 24 12.231 4.773 -0.923 160 HE ARG 24 HE ARG 24 11.381 2.839 1.031 161 1HH1 ARG 24 2HH1 ARG 24 10.188 5.585 -0.890 162 2HH1 ARG 24 HH22 ARG 24 8.937 6.001 0.260 163 1HH2 ARG 24 1HH1 ARG 24 9.771 3.385 2.499 164 2HH2 ARG 24 2HH1 ARG 24 8.704 4.738 2.199 165 H VAL 25 H VAL 25 7.906 2.989 -0.201 166 HA VAL 25 HA VAL 25 5.786 2.836 -2.112 167 HB VAL 25 HB VAL 25 6.254 4.821 0.076 168 1HG1 VAL 25 1HG1 VAL 25 4.634 5.669 -1.539 169 2HG1 VAL 25 2HG1 VAL 25 3.714 4.129 -1.425 170 3HG1 VAL 25 3HG1 VAL 25 3.823 5.219 0.001 171 1HG2 VAL 25 1HG2 VAL 25 4.681 2.231 0.081 172 2HG2 VAL 25 2HG2 VAL 25 6.229 2.541 0.942 173 3HG2 VAL 25 3HG2 VAL 25 4.739 3.423 1.426 174 H LEU 26 H LEU 26 6.251 3.378 -4.128 175 HA LEU 26 HA LEU 26 7.658 5.912 -4.602 176 1HB LEU 26 2HB LEU 26 8.072 3.616 -5.766 177 2HB LEU 26 1HB LEU 26 6.767 4.157 -6.803 178 HG LEU 26 HG LEU 26 9.528 5.140 -6.560 179 1HD1 LEU 26 1HD1 LEU 26 8.935 3.685 -8.414 180 2HD1 LEU 26 2HD1 LEU 26 7.626 4.820 -8.893 181 3HD1 LEU 26 3HD1 LEU 26 9.346 5.331 -9.010 182 1HD2 LEU 26 1HD2 LEU 26 7.227 6.939 -7.354 183 2HD2 LEU 26 2HD2 LEU 26 8.288 7.127 -5.915 184 3HD2 LEU 26 3HD2 LEU 26 8.971 7.319 -7.567 185 H TYR 27 H TYR 27 4.628 4.288 -5.390 186 HA TYR 27 HA TYR 27 3.428 6.977 -5.902 187 1HB TYR 27 2HB TYR 27 2.087 5.894 -7.601 188 2HB TYR 27 1HB TYR 27 3.779 5.567 -7.916 189 HD1 TYR 27 HD1 TYR 27 0.541 4.137 -7.256 190 HD2 TYR 27 HD2 TYR 27 4.730 3.316 -7.304 191 HE1 TYR 27 HE1 TYR 27 0.060 1.647 -7.299 192 HE2 TYR 27 HE2 TYR 27 4.235 0.829 -7.347 193 HH TYR 27 HH TYR 27 2.693 -0.677 -7.362 194 H SER 28 H SER 28 2.715 7.122 -3.741 195 HA SER 28 HA SER 28 1.117 5.037 -2.562 196 1HB SER 28 2HB SER 28 0.541 6.823 -0.889 197 2HB SER 28 1HB SER 28 2.248 6.463 -1.055 198 HG SER 28 HG SER 28 1.830 8.724 -1.012 199 H THR 29 H THR 29 -0.750 4.450 -3.351 200 HA THR 29 HA THR 29 -2.448 6.422 -4.691 201 HB THR 29 HB THR 29 -1.929 3.957 -5.435 202 HG1 THR 29 HG1 THR 29 -4.060 4.099 -6.391 203 1HG2 THR 29 1HG2 THR 29 -2.842 2.908 -3.292 204 2HG2 THR 29 2HG2 THR 29 -4.432 3.643 -3.697 205 3HG2 THR 29 3HG2 THR 29 -3.720 2.391 -4.773 206 H LYS 30 H LYS 30 -4.701 6.656 -4.210 207 HA LYS 30 HA LYS 30 -5.141 6.509 -1.288 208 1HB LYS 30 2HB LYS 30 -6.632 8.287 -3.174 209 2HB LYS 30 1HB LYS 30 -6.520 8.404 -1.429 210 1HG LYS 30 2HG LYS 30 -4.201 9.028 -1.557 211 2HG LYS 30 1HG LYS 30 -4.163 8.715 -3.280 212 1HD LYS 30 2HD LYS 30 -4.322 11.126 -2.785 213 2HD LYS 30 1HD LYS 30 -5.715 10.547 -3.676 214 1HE LYS 30 2HE LYS 30 -6.128 10.320 -0.823 215 2HE LYS 30 1HE LYS 30 -5.751 11.968 -1.281 216 1HZ LYS 30 1HZ LYS 30 -7.491 11.861 -2.909 217 2HZ LYS 30 2HZ LYS 30 -7.846 10.303 -2.476 218 3HZ LYS 30 3HZ LYS 30 -8.092 11.538 -1.401 219 H VAL 31 H VAL 31 -6.816 5.486 -0.417 220 HA VAL 31 HA VAL 31 -8.129 3.530 -2.071 221 HB VAL 31 HB VAL 31 -9.021 4.117 0.685 222 1HG1 VAL 31 1HG1 VAL 31 -10.081 2.283 -0.522 223 2HG1 VAL 31 2HG1 VAL 31 -8.468 1.546 -0.819 224 3HG1 VAL 31 3HG1 VAL 31 -9.109 1.660 0.857 225 1HG2 VAL 31 1HG2 VAL 31 -6.357 2.841 0.010 226 2HG2 VAL 31 2HG2 VAL 31 -6.605 4.414 0.844 227 3HG2 VAL 31 3HG2 VAL 31 -7.112 2.884 1.641 228 H THR 32 H THR 32 -10.196 3.385 -2.754 229 HA THR 32 HA THR 32 -11.622 5.958 -2.838 230 HB THR 32 HB THR 32 -11.080 4.621 -4.935 231 HG1 THR 32 HG1 THR 32 -13.247 5.115 -5.665 232 1HG2 THR 32 1HG2 THR 32 -11.793 2.347 -4.013 233 2HG2 THR 32 2HG2 THR 32 -13.468 2.994 -3.916 234 3HG2 THR 32 3HG2 THR 32 -12.664 2.817 -5.514 235 H THR 33 H THR 33 -14.142 5.531 -3.048 236 HA THR 33 HA THR 33 -14.892 4.601 -0.398 237 HB THR 33 HB THR 33 -15.785 6.703 -1.484 238 HG1 THR 33 HG1 THR 33 -17.898 6.131 -0.659 239 1HG2 THR 33 1HG2 THR 33 -16.277 5.671 -3.768 240 2HG2 THR 33 2HG2 THR 33 -17.522 4.657 -2.959 241 3HG2 THR 33 3HG2 THR 33 -17.711 6.445 -3.007 242 H SER 34 H SER 34 -14.872 3.406 -3.612 243 HA SER 34 HA SER 34 -16.771 1.257 -2.978 244 1HB SER 34 2HB SER 34 -17.031 2.153 -5.161 245 2HB SER 34 1HB SER 34 -15.318 1.999 -5.493 246 HG SER 34 HG SER 34 -16.554 0.319 -6.467 247 H ILE 35 H ILE 35 -13.906 1.759 -1.926 248 HA ILE 35 HA ILE 35 -12.428 -0.531 -2.821 249 HB ILE 35 HB ILE 35 -11.813 1.732 -1.479 250 1HG1 ILE 35 2HG1 ILE 35 -10.486 -0.270 -2.771 251 2HG1 ILE 35 1HG1 ILE 35 -9.757 1.177 -2.105 252 1HG2 ILE 35 1HG2 ILE 35 -12.642 0.897 0.647 253 2HG2 ILE 35 2HG2 ILE 35 -11.584 -0.548 0.498 254 3HG2 ILE 35 3HG2 ILE 35 -10.855 1.083 0.696 255 1HD1 ILE 35 1HG1 ILE 35 -9.330 0.007 0.030 256 2HD1 ILE 35 2HG1 ILE 35 -10.078 -1.478 -0.653 257 3HD1 ILE 35 3HG1 ILE 35 -8.549 -0.840 -1.350 258 H THR 36 H THR 36 -11.604 -2.142 -1.133 259 HA THR 36 HA THR 36 -13.887 -3.668 -0.323 260 HB THR 36 HB THR 36 -11.834 -4.751 -1.100 261 HG1 THR 36 HG1 THR 36 -11.740 -6.163 0.763 262 1HG2 THR 36 1HG2 THR 36 -10.179 -3.101 -0.070 263 2HG2 THR 36 2HG2 THR 36 -10.643 -3.756 1.539 264 3HG2 THR 36 3HG2 THR 36 -9.829 -4.817 0.338 265 H SER 37 H SER 37 -15.125 -3.348 1.342 266 HA SER 37 HA SER 37 -13.877 -2.217 3.789 267 1HB SER 37 2HB SER 37 -16.598 -1.756 3.994 268 2HB SER 37 1HB SER 37 -15.360 -0.568 3.635 269 HG SER 37 HG SER 37 -17.039 -0.586 2.061 270 H LYS 38 H LYS 38 -15.881 -4.631 2.348 271 HA LYS 38 HA LYS 38 -16.392 -5.804 5.011 272 1HB LYS 38 2HB LYS 38 -18.303 -6.756 4.225 273 2HB LYS 38 1HB LYS 38 -18.234 -5.324 3.216 274 1HG LYS 38 2HG LYS 38 -17.265 -6.591 1.400 275 2HG LYS 38 1HG LYS 38 -17.151 -8.018 2.410 276 1HD LYS 38 2HD LYS 38 -19.824 -6.767 2.068 277 2HD LYS 38 1HD LYS 38 -19.166 -7.677 0.723 278 1HE LYS 38 2HE LYS 38 -19.130 -8.887 3.450 279 2HE LYS 38 1HE LYS 38 -20.625 -8.884 2.537 280 1HZ LYS 38 1HZ LYS 38 -19.483 -9.983 0.756 281 2HZ LYS 38 2HZ LYS 38 -18.070 -9.985 1.618 282 3HZ LYS 38 3HZ LYS 38 -19.366 -10.869 2.149 283 H LYS 39 H LYS 39 -15.244 -6.574 1.766 284 HA LYS 39 HA LYS 39 -14.354 -9.196 2.478 285 1HB LYS 39 2HB LYS 39 -14.743 -7.890 0.130 286 2HB LYS 39 1HB LYS 39 -12.995 -7.955 0.221 287 1HG LYS 39 2HG LYS 39 -13.463 -9.968 -0.817 288 2HG LYS 39 1HG LYS 39 -13.409 -10.458 0.865 289 1HD LYS 39 2HD LYS 39 -15.364 -11.447 -0.078 290 2HD LYS 39 1HD LYS 39 -15.904 -10.125 0.937 291 1HE LYS 39 2HE LYS 39 -17.066 -9.413 -0.849 292 2HE LYS 39 1HE LYS 39 -15.523 -8.924 -1.522 293 1HZ LYS 39 1HZ LYS 39 -15.343 -11.072 -2.543 294 2HZ LYS 39 2HZ LYS 39 -16.800 -11.534 -1.907 295 3HZ LYS 39 3HZ LYS 39 -16.734 -10.318 -3.029 296 H TRP 40 H TRP 40 -12.710 -9.830 3.607 297 HA TRP 40 HA TRP 40 -10.280 -8.181 3.650 298 1HB TRP 40 2HB TRP 40 -11.795 -8.929 6.125 299 2HB TRP 40 1HB TRP 40 -10.143 -8.346 6.120 300 HD1 TRP 40 HD1 TRP 40 -13.126 -6.921 7.152 301 HE1 TRP 40 HE1 TRP 40 -9.545 -6.597 3.572 302 HE3 TRP 40 HE3 TRP 40 -13.412 -4.401 6.632 303 HZ2 TRP 40 HZ2 TRP 40 -9.168 -4.381 2.504 304 HZ3 TRP 40 HZ3 TRP 40 -12.217 -2.518 4.875 305 HH2 TRP 40 HH2 TRP 40 -10.436 -2.386 3.103 306 H GLY 41 H GLY 41 -8.503 -9.353 3.572 307 1HA GLY 41 2HA GLY 41 -8.815 -12.285 4.000 308 2HA GLY 41 1HA GLY 41 -7.796 -11.587 2.758 309 H THR 42 H THR 42 -6.945 -13.445 4.698 310 HA THR 42 HA THR 42 -5.715 -12.311 6.949 311 HB THR 42 HB THR 42 -5.247 -14.771 5.308 312 HG1 THR 42 HG1 THR 42 -5.937 -15.550 7.404 313 1HG2 THR 42 1HG2 THR 42 -2.967 -14.048 6.207 314 2HG2 THR 42 2HG2 THR 42 -3.718 -13.972 7.839 315 3HG2 THR 42 3HG2 THR 42 -3.599 -15.545 6.977 316 H ARG 43 H ARG 43 -4.680 -12.493 3.611 317 HA ARG 43 HA ARG 43 -2.163 -11.110 4.289 318 1HB ARG 43 2HB ARG 43 -3.037 -12.850 2.131 319 2HB ARG 43 1HB ARG 43 -2.202 -11.421 1.556 320 1HG ARG 43 2HG ARG 43 -0.446 -11.996 3.369 321 2HG ARG 43 1HG ARG 43 -1.188 -13.584 3.362 322 1HD ARG 43 2HD ARG 43 -0.294 -12.294 0.806 323 2HD ARG 43 1HD ARG 43 0.835 -13.185 1.807 324 HE ARG 43 HE ARG 43 -1.326 -14.900 1.537 325 1HH1 ARG 43 2HH1 ARG 43 0.839 -13.226 -0.736 326 2HH1 ARG 43 HH22 ARG 43 0.694 -14.459 -1.969 327 1HH2 ARG 43 1HH1 ARG 43 -1.502 -16.476 -0.054 328 2HH2 ARG 43 2HH1 ARG 43 -0.648 -16.318 -1.572 329 H ASP 44 H ASP 44 -5.181 -10.196 3.946 330 HA ASP 44 HA ASP 44 -4.620 -7.889 2.163 331 1HB ASP 44 2HB ASP 44 -6.882 -9.524 2.521 332 2HB ASP 44 1HB ASP 44 -7.289 -7.953 3.183 333 H LEU 45 H LEU 45 -5.477 -5.795 2.846 334 HA LEU 45 HA LEU 45 -4.921 -5.412 5.714 335 1HB LEU 45 2HB LEU 45 -3.868 -4.136 3.645 336 2HB LEU 45 1HB LEU 45 -5.246 -3.096 3.944 337 HG LEU 45 HG LEU 45 -4.440 -2.949 6.316 338 1HD1 LEU 45 1HD1 LEU 45 -2.963 -4.875 6.355 339 2HD1 LEU 45 2HD1 LEU 45 -1.923 -4.110 5.104 340 3HD1 LEU 45 3HD1 LEU 45 -2.051 -3.374 6.739 341 1HD2 LEU 45 1HD2 LEU 45 -2.711 -1.778 4.125 342 2HD2 LEU 45 2HD2 LEU 45 -4.243 -1.088 4.766 343 3HD2 LEU 45 3HD2 LEU 45 -2.791 -1.187 5.822 344 H GLN 46 H GLN 46 -6.249 -4.238 7.074 345 HA GLN 46 HA GLN 46 -9.076 -4.511 6.354 346 1HB GLN 46 2HB GLN 46 -8.395 -5.361 8.516 347 2HB GLN 46 1HB GLN 46 -7.786 -3.781 8.967 348 1HG GLN 46 2HG GLN 46 -9.818 -3.128 9.627 349 2HG GLN 46 1HG GLN 46 -10.506 -3.562 8.075 350 1HE2 GLN 46 1HE2 GLN 46 -8.876 -5.562 10.485 351 2HE2 GLN 46 2HE2 GLN 46 -10.214 -6.636 10.824 352 H VAL 47 H VAL 47 -7.527 -2.550 4.989 353 HA VAL 47 HA VAL 47 -7.955 0.040 6.070 354 HB VAL 47 HB VAL 47 -7.588 0.809 3.759 355 1HG1 VAL 47 1HG1 VAL 47 -5.688 0.446 5.245 356 2HG1 VAL 47 2HG1 VAL 47 -5.641 -1.285 4.761 357 3HG1 VAL 47 3HG1 VAL 47 -5.270 -0.004 3.555 358 1HG2 VAL 47 1HG2 VAL 47 -7.481 -2.151 3.123 359 2HG2 VAL 47 2HG2 VAL 47 -8.718 -0.980 2.547 360 3HG2 VAL 47 3HG2 VAL 47 -7.011 -0.823 2.006 361 H LYS 48 H LYS 48 -9.409 1.687 5.284 362 HA LYS 48 HA LYS 48 -12.070 0.505 4.747 363 1HB LYS 48 2HB LYS 48 -11.185 2.449 6.669 364 2HB LYS 48 1HB LYS 48 -12.488 3.078 5.680 365 1HG LYS 48 2HG LYS 48 -13.521 2.001 7.531 366 2HG LYS 48 1HG LYS 48 -13.732 0.929 6.161 367 1HD LYS 48 2HD LYS 48 -13.041 -0.509 7.872 368 2HD LYS 48 1HD LYS 48 -11.565 -0.203 6.979 369 1HE LYS 48 2HE LYS 48 -10.814 0.158 9.123 370 2HE LYS 48 1HE LYS 48 -11.330 1.780 8.707 371 1HZ LYS 48 1HZ LYS 48 -13.416 1.339 9.777 372 2HZ LYS 48 2HZ LYS 48 -12.928 -0.194 10.170 373 3HZ LYS 48 3HZ LYS 48 -12.165 1.115 10.838 374 HA PRO 49 HA PRO 49 -12.281 2.598 0.996 375 1HB PRO 49 2HB PRO 49 -14.983 3.097 0.785 376 2HB PRO 49 1HB PRO 49 -14.213 1.563 0.433 377 1HG PRO 49 2HG PRO 49 -15.862 2.318 2.729 378 2HG PRO 49 1HG PRO 49 -15.444 0.719 2.146 379 1HD PRO 49 2HD PRO 49 -14.337 2.075 4.385 380 2HD PRO 49 1HD PRO 49 -13.841 0.526 3.733 381 H GLY 50 H GLY 50 -11.661 4.547 0.441 382 1HA GLY 50 2HA GLY 50 -12.071 6.895 0.180 383 2HA GLY 50 1HA GLY 50 -13.039 6.880 1.640 384 H GLU 51 H GLU 51 -10.243 5.028 1.918 385 HA GLU 51 HA GLU 51 -8.981 7.166 3.522 386 1HB GLU 51 2HB GLU 51 -9.246 4.302 3.848 387 2HB GLU 51 1HB GLU 51 -7.594 4.849 4.047 388 1HG GLU 51 2HG GLU 51 -8.856 4.860 6.175 389 2HG GLU 51 1HG GLU 51 -8.286 6.455 5.727 390 H SER 52 H SER 52 -6.522 6.937 3.655 391 HA SER 52 HA SER 52 -5.448 6.463 0.933 392 1HB SER 52 2HB SER 52 -3.898 8.505 1.777 393 2HB SER 52 1HB SER 52 -5.293 8.692 0.733 394 HG SER 52 HG SER 52 -5.348 10.123 2.535 395 H LEU 53 H LEU 53 -3.695 5.278 0.840 396 HA LEU 53 HA LEU 53 -1.971 5.123 3.216 397 1HB LEU 53 2HB LEU 53 -3.586 3.325 3.456 398 2HB LEU 53 1HB LEU 53 -3.109 2.698 1.891 399 HG LEU 53 HG LEU 53 -0.887 2.252 2.757 400 1HD1 LEU 53 1HD1 LEU 53 -0.722 3.988 4.448 401 2HD1 LEU 53 2HD1 LEU 53 -1.999 3.173 5.417 402 3HD1 LEU 53 3HD1 LEU 53 -0.408 2.372 5.171 403 1HD2 LEU 53 1HD2 LEU 53 -3.115 1.004 4.383 404 2HD2 LEU 53 2HD2 LEU 53 -2.534 0.466 2.769 405 3HD2 LEU 53 3HD2 LEU 53 -1.455 0.338 4.201 406 H GLU 54 H GLU 54 0.076 3.960 2.755 407 HA GLU 54 HA GLU 54 1.134 5.030 0.279 408 1HB GLU 54 2HB GLU 54 2.229 3.956 2.756 409 2HB GLU 54 1HB GLU 54 3.154 3.534 1.329 410 1HG GLU 54 2HG GLU 54 3.056 5.997 0.709 411 2HG GLU 54 1HG GLU 54 2.458 6.281 2.331 412 H VAL 55 H VAL 55 1.621 4.053 -1.554 413 HA VAL 55 HA VAL 55 0.918 1.183 -1.720 414 HB VAL 55 HB VAL 55 0.702 3.458 -3.574 415 1HG1 VAL 55 1HG1 VAL 55 2.195 1.988 -4.824 416 2HG1 VAL 55 2HG1 VAL 55 1.081 0.608 -4.531 417 3HG1 VAL 55 3HG1 VAL 55 0.550 1.991 -5.549 418 1HG2 VAL 55 1HG2 VAL 55 -1.025 1.025 -3.047 419 2HG2 VAL 55 2HG2 VAL 55 -1.274 2.675 -2.379 420 3HG2 VAL 55 3HG2 VAL 55 -1.442 2.386 -4.145 421 H ILE 56 H ILE 56 2.359 -0.311 -2.162 422 HA ILE 56 HA ILE 56 5.126 0.601 -2.533 423 HB ILE 56 HB ILE 56 4.154 -2.158 -1.959 424 1HG1 ILE 56 2HG1 ILE 56 4.792 0.092 -0.113 425 2HG1 ILE 56 1HG1 ILE 56 3.398 -0.969 -0.121 426 1HG2 ILE 56 1HG2 ILE 56 6.389 -2.121 -2.911 427 2HG2 ILE 56 2HG2 ILE 56 6.896 -0.906 -1.687 428 3HG2 ILE 56 3HG2 ILE 56 6.452 -2.570 -1.171 429 1HD1 ILE 56 1HG1 ILE 56 4.816 -2.877 0.561 430 2HD1 ILE 56 2HG1 ILE 56 6.247 -1.788 0.569 431 3HD1 ILE 56 3HG1 ILE 56 4.914 -1.529 1.747 432 H GLN 57 H GLN 57 5.495 -2.284 -3.608 433 HA GLN 57 HA GLN 57 5.229 -1.446 -6.417 434 1HB GLN 57 2HB GLN 57 6.819 -3.616 -5.100 435 2HB GLN 57 1HB GLN 57 6.659 -3.481 -6.839 436 1HG GLN 57 2HG GLN 57 7.766 -1.353 -5.011 437 2HG GLN 57 1HG GLN 57 8.716 -2.398 -6.048 438 1HE2 GLN 57 1HE2 GLN 57 7.862 -2.465 -8.382 439 2HE2 GLN 57 2HE2 GLN 57 7.573 -0.909 -9.128 440 H THR 58 H THR 58 4.465 -2.889 -8.038 441 HA THR 58 HA THR 58 1.962 -4.051 -7.301 442 HB THR 58 HB THR 58 2.100 -4.818 -9.788 443 HG1 THR 58 HG1 THR 58 3.897 -3.704 -10.790 444 1HG2 THR 58 1HG2 THR 58 1.002 -2.626 -9.067 445 2HG2 THR 58 2HG2 THR 58 2.626 -1.863 -9.176 446 3HG2 THR 58 3HG2 THR 58 1.840 -2.520 -10.654 447 H THR 59 H THR 59 1.500 -5.930 -6.483 448 HA THR 59 HA THR 59 3.429 -7.846 -5.810 449 HB THR 59 HB THR 59 0.444 -7.797 -5.919 450 HG1 THR 59 HG1 THR 59 0.981 -8.127 -3.666 451 1HG2 THR 59 1HG2 THR 59 1.121 -10.179 -6.543 452 2HG2 THR 59 2HG2 THR 59 2.149 -10.194 -5.068 453 3HG2 THR 59 3HG2 THR 59 0.363 -10.051 -4.917 454 H ASP 60 H ASP 60 0.815 -8.518 -8.098 455 HA ASP 60 HA ASP 60 2.712 -10.208 -9.634 456 1HB ASP 60 2HB ASP 60 0.858 -11.506 -9.023 457 2HB ASP 60 1HB ASP 60 -0.264 -10.198 -9.339 458 H ASP 61 H ASP 61 -0.326 -9.032 -10.829 459 HA ASP 61 HA ASP 61 1.137 -7.357 -12.816 460 1HB ASP 61 2HB ASP 61 -1.353 -9.010 -13.090 461 2HB ASP 61 1HB ASP 61 -0.909 -7.770 -14.244 462 H THR 62 H THR 62 -2.075 -7.847 -11.370 463 HA THR 62 HA THR 62 -2.341 -4.893 -11.226 464 HB THR 62 HB THR 62 -4.799 -6.550 -11.323 465 HG1 THR 62 HG1 THR 62 -4.385 -6.779 -13.615 466 1HG2 THR 62 1HG2 THR 62 -4.803 -4.000 -11.468 467 2HG2 THR 62 2HG2 THR 62 -3.824 -4.158 -12.968 468 3HG2 THR 62 3HG2 THR 62 -5.502 -4.801 -12.918 469 H LYS 63 H LYS 63 -1.103 -5.325 -9.206 470 HA LYS 63 HA LYS 63 -2.998 -5.328 -7.023 471 1HB LYS 63 2HB LYS 63 -2.672 -7.728 -7.301 472 2HB LYS 63 1HB LYS 63 -0.945 -7.514 -7.098 473 1HG LYS 63 2HG LYS 63 -1.137 -7.475 -4.867 474 2HG LYS 63 1HG LYS 63 -2.405 -6.268 -4.939 475 1HD LYS 63 2HD LYS 63 -4.037 -8.073 -5.439 476 2HD LYS 63 1HD LYS 63 -2.753 -9.249 -5.238 477 1HE LYS 63 2HE LYS 63 -2.778 -9.077 -2.976 478 2HE LYS 63 1HE LYS 63 -3.068 -7.350 -3.011 479 1HZ LYS 63 1HZ LYS 63 -5.349 -7.793 -3.556 480 2HZ LYS 63 2HZ LYS 63 -5.074 -9.426 -3.523 481 3HZ LYS 63 3HZ LYS 63 -4.941 -8.535 -2.133 482 H VAL 64 H VAL 64 -2.423 -3.928 -5.554 483 HA VAL 64 HA VAL 64 0.433 -3.123 -5.508 484 HB VAL 64 HB VAL 64 -0.181 -0.874 -5.198 485 1HG1 VAL 64 1HG1 VAL 64 -0.194 -1.608 -7.524 486 2HG1 VAL 64 2HG1 VAL 64 -1.926 -2.064 -7.371 487 3HG1 VAL 64 3HG1 VAL 64 -1.437 -0.338 -7.250 488 1HG2 VAL 64 1HG2 VAL 64 -3.062 -1.800 -5.035 489 2HG2 VAL 64 2HG2 VAL 64 -2.065 -1.171 -3.678 490 3HG2 VAL 64 3HG2 VAL 64 -2.512 -0.088 -5.041 491 H LEU 65 H LEU 65 1.455 -3.334 -3.679 492 HA LEU 65 HA LEU 65 -0.109 -4.134 -1.336 493 1HB LEU 65 2HB LEU 65 1.575 -5.577 -1.335 494 2HB LEU 65 1HB LEU 65 2.619 -4.517 -2.260 495 HG LEU 65 HG LEU 65 2.810 -3.232 -0.024 496 1HD1 LEU 65 1HD1 LEU 65 1.115 -4.460 1.209 497 2HD1 LEU 65 2HD1 LEU 65 2.031 -5.986 0.958 498 3HD1 LEU 65 3HD1 LEU 65 2.730 -4.676 1.971 499 1HD2 LEU 65 1HD2 LEU 65 4.232 -5.859 -0.512 500 2HD2 LEU 65 2HD2 LEU 65 4.690 -4.253 -1.177 501 3HD2 LEU 65 3HD2 LEU 65 4.795 -4.556 0.592 502 H CYS 66 H CYS 66 -0.740 -2.826 0.167 503 HA CYS 66 HA CYS 66 0.396 -0.116 0.219 504 1HB CYS 66 2HB CYS 66 -1.930 -1.150 1.812 505 2HB CYS 66 1HB CYS 66 -1.483 0.523 1.546 506 HG CYS 66 HG CYS 66 -3.748 -0.053 -0.119 507 H ARG 67 H ARG 67 1.016 0.882 2.214 508 HA ARG 67 HA ARG 67 1.919 -1.053 4.268 509 1HB ARG 67 2HB ARG 67 3.701 -0.105 2.506 510 2HB ARG 67 1HB ARG 67 3.733 1.198 3.675 511 1HG ARG 67 2HG ARG 67 4.020 -0.635 5.443 512 2HG ARG 67 1HG ARG 67 4.389 -1.700 4.102 513 1HD ARG 67 2HD ARG 67 6.411 -0.722 3.709 514 2HD ARG 67 1HD ARG 67 5.842 0.873 4.157 515 HE ARG 67 HE ARG 67 5.989 -0.938 6.425 516 1HH1 ARG 67 2HH1 ARG 67 7.877 1.292 4.396 517 2HH1 ARG 67 HH22 ARG 67 9.075 1.595 5.634 518 1HH2 ARG 67 1HH1 ARG 67 7.535 -0.540 8.006 519 2HH2 ARG 67 2HH1 ARG 67 8.874 0.543 7.700 520 H ASN 68 H ASN 68 1.919 -0.351 6.338 521 HA ASN 68 HA ASN 68 0.856 2.402 6.765 522 1HB ASN 68 2HB ASN 68 0.012 1.260 8.970 523 2HB ASN 68 1HB ASN 68 -0.920 1.105 7.495 524 1HD2 ASN 68 1HD2 ASN 68 1.407 -0.427 9.620 525 2HD2 ASN 68 2HD2 ASN 68 1.095 -2.083 9.150 526 H GLU 69 H GLU 69 1.797 3.640 8.285 527 HA GLU 69 HA GLU 69 4.453 3.136 9.016 528 1HB GLU 69 2HB GLU 69 2.835 5.292 9.167 529 2HB GLU 69 1HB GLU 69 2.969 4.859 10.859 530 1HG GLU 69 2HG GLU 69 5.257 5.383 8.967 531 2HG GLU 69 1HG GLU 69 4.727 6.432 10.267 532 H GLU 70 H GLU 70 1.626 1.782 10.203 533 HA GLU 70 HA GLU 70 2.261 1.387 12.922 534 1HB GLU 70 2HB GLU 70 0.106 0.824 11.503 535 2HB GLU 70 1HB GLU 70 0.844 -0.765 11.467 536 1HG GLU 70 2HG GLU 70 -0.655 -0.620 13.366 537 2HG GLU 70 1HG GLU 70 0.999 -0.713 13.938 538 H GLY 71 H GLY 71 3.844 0.335 10.195 539 1HA GLY 71 2HA GLY 71 5.858 -0.875 10.174 540 2HA GLY 71 1HA GLY 71 5.534 -1.443 11.800 541 H LYS 72 H LYS 72 2.906 -1.663 9.668 542 HA LYS 72 HA LYS 72 3.526 -4.507 9.126 543 1HB LYS 72 2HB LYS 72 1.662 -3.720 10.931 544 2HB LYS 72 1HB LYS 72 0.695 -3.910 9.483 545 1HG LYS 72 2HG LYS 72 2.463 -6.119 9.614 546 2HG LYS 72 1HG LYS 72 1.736 -5.936 11.198 547 1HD LYS 72 2HD LYS 72 -0.500 -5.881 10.117 548 2HD LYS 72 1HD LYS 72 0.272 -6.188 8.575 549 1HE LYS 72 2HE LYS 72 -0.151 -8.356 9.095 550 2HE LYS 72 1HE LYS 72 1.316 -8.203 10.041 551 1HZ LYS 72 1HZ LYS 72 -0.021 -7.649 11.937 552 2HZ LYS 72 2HZ LYS 72 -1.408 -7.794 11.044 553 3HZ LYS 72 3HZ LYS 72 -0.464 -9.125 11.330 554 H TYR 73 H TYR 73 2.527 -5.431 7.280 555 HA TYR 73 HA TYR 73 1.921 -3.371 5.201 556 1HB TYR 73 2HB TYR 73 3.364 -6.012 5.149 557 2HB TYR 73 1HB TYR 73 2.865 -5.181 3.689 558 HD1 TYR 73 HD1 TYR 73 4.545 -4.040 2.603 559 HD2 TYR 73 HD2 TYR 73 4.630 -4.279 6.863 560 HE1 TYR 73 HE1 TYR 73 6.693 -2.691 2.642 561 HE2 TYR 73 HE2 TYR 73 6.779 -2.932 6.888 562 HH TYR 73 HH TYR 73 8.258 -1.921 5.692 563 H GLY 74 H GLY 74 0.655 -4.227 3.360 564 1HA GLY 74 2HA GLY 74 -1.037 -6.546 3.871 565 2HA GLY 74 1HA GLY 74 -1.872 -5.008 3.961 566 H TYR 75 H TYR 75 -2.430 -7.071 2.112 567 HA TYR 75 HA TYR 75 -1.393 -5.994 -0.460 568 1HB TYR 75 2HB TYR 75 -2.508 -8.558 0.560 569 2HB TYR 75 1HB TYR 75 -2.730 -8.183 -1.137 570 HD1 TYR 75 HD1 TYR 75 -0.163 -6.825 -1.744 571 HD2 TYR 75 HD2 TYR 75 -0.981 -10.341 0.535 572 HE1 TYR 75 HE1 TYR 75 2.166 -7.696 -2.239 573 HE2 TYR 75 HE2 TYR 75 1.351 -11.200 0.032 574 HH TYR 75 HH TYR 75 3.217 -10.798 -0.968 575 H VAL 76 H VAL 76 -2.794 -5.477 -2.146 576 HA VAL 76 HA VAL 76 -5.661 -5.314 -1.487 577 HB VAL 76 HB VAL 76 -4.349 -2.959 -2.719 578 1HG1 VAL 76 1HG1 VAL 76 -6.782 -3.084 -2.818 579 2HG1 VAL 76 2HG1 VAL 76 -6.844 -3.296 -1.033 580 3HG1 VAL 76 3HG1 VAL 76 -6.257 -1.748 -1.735 581 1HG2 VAL 76 1HG2 VAL 76 -4.581 -3.447 0.262 582 2HG2 VAL 76 2HG2 VAL 76 -3.057 -3.333 -0.685 583 3HG2 VAL 76 3HG2 VAL 76 -4.117 -1.891 -0.510 584 H LEU 77 H LEU 77 -6.867 -6.076 -3.033 585 HA LEU 77 HA LEU 77 -5.629 -6.827 -5.535 586 1HB LEU 77 2HB LEU 77 -7.592 -7.901 -4.075 587 2HB LEU 77 1HB LEU 77 -8.532 -7.041 -5.278 588 HG LEU 77 HG LEU 77 -6.661 -9.315 -5.629 589 1HD1 LEU 77 1HD1 LEU 77 -8.994 -9.862 -5.226 590 2HD1 LEU 77 2HD1 LEU 77 -9.484 -8.796 -6.589 591 3HD1 LEU 77 3HD1 LEU 77 -8.528 -10.284 -6.911 592 1HD2 LEU 77 1HD2 LEU 77 -7.572 -7.446 -7.828 593 2HD2 LEU 77 2HD2 LEU 77 -5.888 -7.668 -7.240 594 3HD2 LEU 77 3HD2 LEU 77 -6.734 -9.018 -8.073 595 H ARG 78 H ARG 78 -6.005 -6.088 -7.567 596 HA ARG 78 HA ARG 78 -6.328 -3.318 -7.866 597 1HB ARG 78 2HB ARG 78 -6.597 -3.771 -10.271 598 2HB ARG 78 1HB ARG 78 -5.255 -4.657 -9.578 599 1HG ARG 78 2HG ARG 78 -6.227 -6.664 -9.949 600 2HG ARG 78 1HG ARG 78 -7.820 -6.081 -9.511 601 1HD ARG 78 2HD ARG 78 -7.247 -4.763 -11.889 602 2HD ARG 78 1HD ARG 78 -6.635 -6.385 -12.141 603 HE ARG 78 HE ARG 78 -8.820 -7.237 -12.044 604 1HH1 ARG 78 2HH1 ARG 78 -8.781 -3.813 -11.080 605 2HH1 ARG 78 HH22 ARG 78 -10.523 -3.659 -11.118 606 1HH2 ARG 78 1HH1 ARG 78 -11.056 -7.025 -12.089 607 2HH2 ARG 78 2HH1 ARG 78 -11.821 -5.502 -11.696 608 H SER 79 H SER 79 -8.639 -5.826 -7.538 609 HA SER 79 HA SER 79 -10.871 -4.830 -8.847 610 1HB SER 79 2HB SER 79 -10.417 -6.845 -7.039 611 2HB SER 79 1HB SER 79 -11.523 -5.788 -6.185 612 HG SER 79 HG SER 79 -12.620 -7.368 -7.447 613 H TYR 80 H TYR 80 -10.007 -4.206 -5.459 614 HA TYR 80 HA TYR 80 -11.544 -1.650 -5.632 615 1HB TYR 80 2HB TYR 80 -11.596 -2.041 -3.091 616 2HB TYR 80 1HB TYR 80 -12.610 -3.062 -4.091 617 HD1 TYR 80 HD1 TYR 80 -9.577 -2.940 -2.021 618 HD2 TYR 80 HD2 TYR 80 -12.187 -5.427 -4.306 619 HE1 TYR 80 HE1 TYR 80 -8.500 -5.005 -1.017 620 HE2 TYR 80 HE2 TYR 80 -11.101 -7.483 -3.295 621 HH TYR 80 HH TYR 80 -9.598 -8.213 -1.935 622 H LEU 81 H LEU 81 -9.579 -0.664 -6.485 623 HA LEU 81 HA LEU 81 -8.046 0.514 -4.368 624 1HB LEU 81 2HB LEU 81 -6.773 -1.439 -4.349 625 2HB LEU 81 1HB LEU 81 -6.726 -1.517 -6.098 626 HG LEU 81 HG LEU 81 -4.642 -0.806 -4.764 627 1HD1 LEU 81 1HD1 LEU 81 -4.737 -0.882 -7.189 628 2HD1 LEU 81 2HD1 LEU 81 -5.566 0.714 -7.212 629 3HD1 LEU 81 3HD1 LEU 81 -3.867 0.592 -6.638 630 1HD2 LEU 81 1HD2 LEU 81 -6.149 1.816 -4.875 631 2HD2 LEU 81 2HD2 LEU 81 -5.683 0.909 -3.394 632 3HD2 LEU 81 3HD2 LEU 81 -4.413 1.627 -4.446 633 H ALA 82 H ALA 82 -7.033 2.376 -4.955 634 HA ALA 82 HA ALA 82 -8.101 3.752 -7.147 635 1HB ALA 82 1HB ALA 82 -7.140 4.875 -5.193 636 2HB ALA 82 2HB ALA 82 -5.509 4.275 -5.655 637 3HB ALA 82 3HB ALA 82 -6.364 5.456 -6.707 638 H ASP 83 H ASP 83 -6.626 4.840 -8.841 639 HA ASP 83 HA ASP 83 -5.901 2.897 -10.735 640 1HB ASP 83 2HB ASP 83 -5.537 5.784 -10.427 641 2HB ASP 83 1HB ASP 83 -4.319 5.003 -11.415 Start of MODEL 6 1 H GLU 7 H1 GLU 7 3.604 -4.589 15.499 2 HA GLU 7 HA GLU 7 4.804 -3.590 13.769 3 1HB GLU 7 2HB GLU 7 6.118 -2.182 15.535 4 2HB GLU 7 1HB GLU 7 7.249 -3.518 15.456 5 1HG GLU 7 2HG GLU 7 6.536 -2.837 12.797 6 2HG GLU 7 1HG GLU 7 6.942 -1.353 13.634 7 H LYS 8 H LYS 8 4.402 -6.122 15.518 8 HA LYS 8 HA LYS 8 6.630 -7.754 14.591 9 1HB LYS 8 2HB LYS 8 4.177 -8.443 16.170 10 2HB LYS 8 1HB LYS 8 5.425 -9.595 15.741 11 1HG LYS 8 2HG LYS 8 6.299 -7.086 17.052 12 2HG LYS 8 1HG LYS 8 5.457 -8.255 18.049 13 1HD LYS 8 2HD LYS 8 7.094 -9.897 17.717 14 2HD LYS 8 1HD LYS 8 7.742 -9.093 16.301 15 1HE LYS 8 2HE LYS 8 8.148 -7.179 18.161 16 2HE LYS 8 1HE LYS 8 8.293 -8.612 19.158 17 1HZ LYS 8 1HZ LYS 8 9.926 -9.448 17.634 18 2HZ LYS 8 2HZ LYS 8 9.789 -8.093 16.692 19 3HZ LYS 8 3HZ LYS 8 10.393 -7.975 18.229 20 H GLU 9 H GLU 9 3.690 -6.648 13.425 21 HA GLU 9 HA GLU 9 2.910 -8.863 11.823 22 1HB GLU 9 2HB GLU 9 2.084 -6.140 12.172 23 2HB GLU 9 1HB GLU 9 2.110 -6.561 10.471 24 1HG GLU 9 2HG GLU 9 0.179 -7.651 10.734 25 2HG GLU 9 1HG GLU 9 0.971 -8.752 11.844 26 H GLU 10 H GLU 10 5.364 -6.478 11.525 27 HA GLU 10 HA GLU 10 5.765 -6.566 8.728 28 1HB GLU 10 2HB GLU 10 6.936 -4.845 9.661 29 2HB GLU 10 1HB GLU 10 7.431 -5.792 11.049 30 1HG GLU 10 2HG GLU 10 9.065 -6.975 9.739 31 2HG GLU 10 1HG GLU 10 8.480 -6.238 8.261 32 H LYS 11 H LYS 11 6.993 -8.559 11.350 33 HA LYS 11 HA LYS 11 8.686 -10.131 9.650 34 1HB LYS 11 2HB LYS 11 7.837 -10.237 12.472 35 2HB LYS 11 1HB LYS 11 8.438 -11.719 11.755 36 1HG LYS 11 2HG LYS 11 10.452 -10.884 12.385 37 2HG LYS 11 1HG LYS 11 10.313 -9.989 10.885 38 1HD LYS 11 2HD LYS 11 9.479 -8.055 12.036 39 2HD LYS 11 1HD LYS 11 9.346 -8.945 13.539 40 1HE LYS 11 2HE LYS 11 11.946 -8.437 12.101 41 2HE LYS 11 1HE LYS 11 11.352 -7.462 13.430 42 1HZ LYS 11 1HZ LYS 11 11.366 -9.412 14.803 43 2HZ LYS 11 2HZ LYS 11 11.928 -10.333 13.547 44 3HZ LYS 11 3HZ LYS 11 12.875 -9.133 14.182 45 H ASP 12 H ASP 12 5.360 -10.185 10.566 46 HA ASP 12 HA ASP 12 4.840 -12.886 9.675 47 1HB ASP 12 2HB ASP 12 3.437 -11.348 11.241 48 2HB ASP 12 1HB ASP 12 2.772 -10.740 9.739 49 H PHE 13 H PHE 13 4.874 -9.683 8.293 50 HA PHE 13 HA PHE 13 3.454 -10.222 5.887 51 1HB PHE 13 2HB PHE 13 3.764 -7.987 6.218 52 2HB PHE 13 1HB PHE 13 5.338 -8.216 6.955 53 HD1 PHE 13 HD1 PHE 13 3.540 -7.611 3.873 54 HD2 PHE 13 HD2 PHE 13 7.337 -8.421 5.560 55 HE1 PHE 13 HE1 PHE 13 4.641 -6.888 1.743 56 HE2 PHE 13 HE2 PHE 13 8.437 -7.698 3.430 57 HZ PHE 13 HZ PHE 13 7.077 -6.940 1.547 58 H ARG 14 H ARG 14 6.937 -10.120 6.592 59 HA ARG 14 HA ARG 14 7.811 -10.904 4.023 60 1HB ARG 14 2HB ARG 14 9.531 -10.079 5.319 61 2HB ARG 14 1HB ARG 14 9.025 -10.972 6.739 62 1HG ARG 14 2HG ARG 14 9.946 -12.984 5.943 63 2HG ARG 14 1HG ARG 14 10.058 -12.382 4.301 64 1HD ARG 14 2HD ARG 14 12.191 -11.850 4.736 65 2HD ARG 14 1HD ARG 14 11.591 -10.611 5.819 66 HE ARG 14 HE ARG 14 11.575 -13.100 7.199 67 1HH1 ARG 14 2HH1 ARG 14 13.889 -10.721 5.920 68 2HH1 ARG 14 HH22 ARG 14 15.126 -11.115 7.093 69 1HH2 ARG 14 1HH1 ARG 14 13.172 -13.597 8.699 70 2HH2 ARG 14 2HH1 ARG 14 14.710 -12.763 8.682 71 H LYS 15 H LYS 15 6.603 -12.700 6.737 72 HA LYS 15 HA LYS 15 7.547 -15.255 6.096 73 1HB LYS 15 2HB LYS 15 6.562 -15.328 8.118 74 2HB LYS 15 1HB LYS 15 5.309 -14.188 7.669 75 1HG LYS 15 2HG LYS 15 5.159 -16.750 6.255 76 2HG LYS 15 1HG LYS 15 4.927 -16.873 7.987 77 1HD LYS 15 2HD LYS 15 3.004 -15.594 7.958 78 2HD LYS 15 1HD LYS 15 3.467 -14.747 6.496 79 1HE LYS 15 2HE LYS 15 1.609 -16.286 6.062 80 2HE LYS 15 1HE LYS 15 3.042 -16.775 5.181 81 1HZ LYS 15 1HZ LYS 15 3.493 -18.370 6.896 82 2HZ LYS 15 2HZ LYS 15 2.138 -17.908 7.729 83 3HZ LYS 15 3HZ LYS 15 1.992 -18.631 6.246 84 H LYS 16 H LYS 16 4.436 -13.803 5.200 85 HA LYS 16 HA LYS 16 4.060 -15.868 3.176 86 1HB LYS 16 2HB LYS 16 2.252 -14.828 4.697 87 2HB LYS 16 1HB LYS 16 2.241 -13.537 3.512 88 1HG LYS 16 2HG LYS 16 0.557 -15.088 2.847 89 2HG LYS 16 1HG LYS 16 1.902 -15.304 1.746 90 1HD LYS 16 2HD LYS 16 2.668 -17.227 3.089 91 2HD LYS 16 1HD LYS 16 1.284 -17.025 4.143 92 1HE LYS 16 2HE LYS 16 -0.093 -18.065 2.701 93 2HE LYS 16 1HE LYS 16 0.540 -17.174 1.331 94 1HZ LYS 16 1HZ LYS 16 2.400 -18.667 1.281 95 2HZ LYS 16 2HZ LYS 16 1.801 -19.509 2.575 96 3HZ LYS 16 3HZ LYS 16 0.981 -19.508 1.137 97 H PHE 17 H PHE 17 5.030 -12.553 3.440 98 HA PHE 17 HA PHE 17 4.982 -12.119 0.540 99 1HB PHE 17 2HB PHE 17 5.800 -10.546 2.961 100 2HB PHE 17 1HB PHE 17 6.096 -9.957 1.338 101 HD1 PHE 17 HD1 PHE 17 3.255 -11.429 3.236 102 HD2 PHE 17 HD2 PHE 17 4.578 -8.437 0.551 103 HE1 PHE 17 HE1 PHE 17 0.942 -10.475 3.160 104 HE2 PHE 17 HE2 PHE 17 2.265 -7.483 0.475 105 HZ PHE 17 HZ PHE 17 0.474 -8.513 1.780 106 H LYS 18 H LYS 18 6.650 -14.266 1.695 107 HA LYS 18 HA LYS 18 9.282 -13.832 2.036 108 1HB LYS 18 2HB LYS 18 9.758 -15.937 1.053 109 2HB LYS 18 1HB LYS 18 8.172 -16.046 1.789 110 1HG LYS 18 2HG LYS 18 8.029 -15.142 -0.964 111 2HG LYS 18 1HG LYS 18 8.812 -16.704 -0.828 112 1HD LYS 18 2HD LYS 18 6.151 -16.034 0.417 113 2HD LYS 18 1HD LYS 18 6.338 -16.847 -1.123 114 1HE LYS 18 2HE LYS 18 7.864 -18.049 1.076 115 2HE LYS 18 1HE LYS 18 6.125 -18.123 1.274 116 1HZ LYS 18 1HZ LYS 18 5.970 -19.120 -0.888 117 2HZ LYS 18 2HZ LYS 18 7.614 -19.050 -1.075 118 3HZ LYS 18 3HZ LYS 18 6.954 -20.021 0.093 119 H TYR 19 H TYR 19 7.681 -12.139 -0.077 120 HA TYR 19 HA TYR 19 9.241 -12.152 -2.461 121 1HB TYR 19 2HB TYR 19 7.296 -10.997 -2.724 122 2HB TYR 19 1HB TYR 19 7.284 -10.455 -1.058 123 HD1 TYR 19 HD1 TYR 19 7.279 -8.161 -0.836 124 HD2 TYR 19 HD2 TYR 19 9.503 -9.926 -4.023 125 HE1 TYR 19 HE1 TYR 19 8.043 -5.862 -1.585 126 HE2 TYR 19 HE2 TYR 19 10.261 -7.621 -4.760 127 HH TYR 19 HH TYR 19 10.158 -5.505 -4.368 128 H ASP 20 H ASP 20 11.278 -11.595 -2.762 129 HA ASP 20 HA ASP 20 12.588 -9.839 -0.764 130 1HB ASP 20 2HB ASP 20 13.566 -11.829 -2.756 131 2HB ASP 20 1HB ASP 20 14.637 -10.558 -2.200 132 H GLY 21 H GLY 21 12.028 -7.807 -1.347 133 1HA GLY 21 2HA GLY 21 13.216 -6.840 -3.861 134 2HA GLY 21 1HA GLY 21 11.498 -6.574 -3.641 135 H GLU 22 H GLU 22 12.336 -4.313 -3.918 136 HA GLU 22 HA GLU 22 13.390 -3.250 -1.368 137 1HB GLU 22 2HB GLU 22 14.681 -2.627 -3.325 138 2HB GLU 22 1HB GLU 22 13.247 -1.951 -4.073 139 1HG GLU 22 2HG GLU 22 13.078 -0.407 -2.075 140 2HG GLU 22 1HG GLU 22 14.673 -0.965 -1.613 141 H ILE 23 H ILE 23 11.604 -3.242 -0.105 142 HA ILE 23 HA ILE 23 9.098 -2.202 -0.993 143 HB ILE 23 HB ILE 23 10.101 -3.478 1.290 144 1HG1 ILE 23 2HG1 ILE 23 7.235 -2.772 0.914 145 2HG1 ILE 23 1HG1 ILE 23 8.034 -3.875 -0.189 146 1HG2 ILE 23 1HG2 ILE 23 10.278 -1.319 2.388 147 2HG2 ILE 23 2HG2 ILE 23 8.571 -0.954 1.957 148 3HG2 ILE 23 3HG2 ILE 23 8.943 -2.285 3.107 149 1HD1 ILE 23 1HG1 ILE 23 8.684 -5.330 1.701 150 2HD1 ILE 23 2HG1 ILE 23 7.864 -4.199 2.832 151 3HD1 ILE 23 3HG1 ILE 23 6.901 -5.114 1.621 152 H ARG 24 H ARG 24 8.841 -0.247 -1.701 153 HA ARG 24 HA ARG 24 9.496 1.981 0.065 154 1HB ARG 24 2HB ARG 24 11.583 1.645 -1.256 155 2HB ARG 24 1HB ARG 24 10.652 1.937 -2.711 156 1HG ARG 24 2HG ARG 24 11.203 4.099 -2.408 157 2HG ARG 24 1HG ARG 24 9.977 4.088 -1.156 158 1HD ARG 24 2HD ARG 24 12.224 3.056 0.102 159 2HD ARG 24 1HD ARG 24 12.859 4.338 -0.909 160 HE ARG 24 HE ARG 24 10.480 5.052 0.656 161 1HH1 ARG 24 2HH1 ARG 24 14.034 5.040 0.517 162 2HH1 ARG 24 HH22 ARG 24 14.205 6.312 1.706 163 1HH2 ARG 24 1HH1 ARG 24 10.713 6.686 2.182 164 2HH2 ARG 24 2HH1 ARG 24 12.300 7.251 2.655 165 H VAL 25 H VAL 25 7.754 3.161 0.122 166 HA VAL 25 HA VAL 25 5.687 2.933 -1.826 167 HB VAL 25 HB VAL 25 5.185 3.468 0.446 168 1HG1 VAL 25 1HG1 VAL 25 7.210 4.686 1.047 169 2HG1 VAL 25 2HG1 VAL 25 6.702 6.051 -0.007 170 3HG1 VAL 25 3HG1 VAL 25 5.745 5.643 1.460 171 1HG2 VAL 25 1HG2 VAL 25 4.505 5.780 -1.389 172 2HG2 VAL 25 2HG2 VAL 25 3.592 4.239 -1.231 173 3HG2 VAL 25 3HG2 VAL 25 3.666 5.386 0.151 174 H LEU 26 H LEU 26 6.229 3.382 -3.853 175 HA LEU 26 HA LEU 26 7.613 5.911 -4.403 176 1HB LEU 26 2HB LEU 26 8.063 3.573 -5.463 177 2HB LEU 26 1HB LEU 26 6.777 4.061 -6.547 178 HG LEU 26 HG LEU 26 9.530 5.049 -6.306 179 1HD1 LEU 26 1HD1 LEU 26 8.935 3.558 -8.130 180 2HD1 LEU 26 2HD1 LEU 26 7.638 4.693 -8.641 181 3HD1 LEU 26 3HD1 LEU 26 9.363 5.186 -8.760 182 1HD2 LEU 26 1HD2 LEU 26 7.250 6.850 -7.155 183 2HD2 LEU 26 2HD2 LEU 26 8.304 7.062 -5.714 184 3HD2 LEU 26 3HD2 LEU 26 8.999 7.210 -7.366 185 H TYR 27 H TYR 27 4.610 4.236 -5.194 186 HA TYR 27 HA TYR 27 3.403 6.895 -5.824 187 1HB TYR 27 2HB TYR 27 2.119 5.752 -7.526 188 2HB TYR 27 1HB TYR 27 3.820 5.421 -7.783 189 HD1 TYR 27 HD1 TYR 27 0.567 4.004 -7.136 190 HD2 TYR 27 HD2 TYR 27 4.758 3.194 -7.103 191 HE1 TYR 27 HE1 TYR 27 0.093 1.513 -7.109 192 HE2 TYR 27 HE2 TYR 27 4.269 0.705 -7.079 193 HH TYR 27 HH TYR 27 2.733 -0.805 -7.069 194 H SER 28 H SER 28 2.647 7.089 -3.676 195 HA SER 28 HA SER 28 1.018 5.028 -2.493 196 1HB SER 28 2HB SER 28 0.462 6.756 -0.816 197 2HB SER 28 1HB SER 28 2.186 6.540 -1.044 198 HG SER 28 HG SER 28 1.583 8.760 -0.977 199 H THR 29 H THR 29 -0.835 4.437 -3.309 200 HA THR 29 HA THR 29 -2.501 6.410 -4.698 201 HB THR 29 HB THR 29 -1.953 3.958 -5.455 202 HG1 THR 29 HG1 THR 29 -4.067 4.091 -6.449 203 1HG2 THR 29 1HG2 THR 29 -2.896 2.880 -3.339 204 2HG2 THR 29 2HG2 THR 29 -4.485 3.605 -3.767 205 3HG2 THR 29 3HG2 THR 29 -3.741 2.370 -4.841 206 H LYS 30 H LYS 30 -4.768 6.624 -4.271 207 HA LYS 30 HA LYS 30 -5.266 6.494 -1.361 208 1HB LYS 30 2HB LYS 30 -6.268 8.331 -3.485 209 2HB LYS 30 1HB LYS 30 -7.095 8.183 -1.948 210 1HG LYS 30 2HG LYS 30 -5.536 9.399 -0.885 211 2HG LYS 30 1HG LYS 30 -4.226 8.502 -1.625 212 1HD LYS 30 2HD LYS 30 -3.854 10.575 -2.545 213 2HD LYS 30 1HD LYS 30 -4.924 9.897 -3.755 214 1HE LYS 30 2HE LYS 30 -6.297 11.230 -1.529 215 2HE LYS 30 1HE LYS 30 -5.320 12.294 -2.520 216 1HZ LYS 30 1HZ LYS 30 -6.469 11.476 -4.445 217 2HZ LYS 30 2HZ LYS 30 -7.392 10.471 -3.508 218 3HZ LYS 30 3HZ LYS 30 -7.545 12.113 -3.359 219 H VAL 31 H VAL 31 -6.925 5.440 -0.493 220 HA VAL 31 HA VAL 31 -8.142 3.403 -2.126 221 HB VAL 31 HB VAL 31 -9.098 4.019 0.603 222 1HG1 VAL 31 1HG1 VAL 31 -10.076 2.124 -0.581 223 2HG1 VAL 31 2HG1 VAL 31 -8.434 1.436 -0.837 224 3HG1 VAL 31 3HG1 VAL 31 -9.106 1.564 0.826 225 1HG2 VAL 31 1HG2 VAL 31 -6.383 2.818 -0.002 226 2HG2 VAL 31 2HG2 VAL 31 -6.696 4.400 0.793 227 3HG2 VAL 31 3HG2 VAL 31 -7.166 2.871 1.616 228 H THR 32 H THR 32 -10.257 3.124 -2.714 229 HA THR 32 HA THR 32 -11.731 5.660 -2.970 230 HB THR 32 HB THR 32 -11.271 4.372 -5.027 231 HG1 THR 32 HG1 THR 32 -13.540 4.365 -5.598 232 1HG2 THR 32 1HG2 THR 32 -11.413 2.042 -3.988 233 2HG2 THR 32 2HG2 THR 32 -13.176 2.324 -3.779 234 3HG2 THR 32 3HG2 THR 32 -12.467 2.250 -5.430 235 H THR 33 H THR 33 -14.237 5.203 -3.098 236 HA THR 33 HA THR 33 -14.935 4.420 -0.388 237 HB THR 33 HB THR 33 -15.842 6.409 -1.875 238 HG1 THR 33 HG1 THR 33 -17.700 6.196 -0.469 239 1HG2 THR 33 1HG2 THR 33 -16.859 4.862 -3.635 240 2HG2 THR 33 2HG2 THR 33 -17.878 4.166 -2.327 241 3HG2 THR 33 3HG2 THR 33 -18.072 5.891 -2.798 242 H SER 34 H SER 34 -14.999 3.062 -3.545 243 HA SER 34 HA SER 34 -16.835 0.918 -2.728 244 1HB SER 34 2HB SER 34 -16.986 1.940 -4.995 245 2HB SER 34 1HB SER 34 -15.417 1.247 -5.353 246 HG SER 34 HG SER 34 -17.149 -0.080 -6.085 247 H ILE 35 H ILE 35 -13.948 1.504 -1.811 248 HA ILE 35 HA ILE 35 -12.455 -0.786 -2.674 249 HB ILE 35 HB ILE 35 -11.847 1.532 -1.424 250 1HG1 ILE 35 2HG1 ILE 35 -10.519 -0.483 -2.697 251 2HG1 ILE 35 1HG1 ILE 35 -9.802 1.001 -2.104 252 1HG2 ILE 35 1HG2 ILE 35 -12.588 0.747 0.751 253 2HG2 ILE 35 2HG2 ILE 35 -11.504 -0.681 0.612 254 3HG2 ILE 35 3HG2 ILE 35 -10.804 0.971 0.736 255 1HD1 ILE 35 1HG1 ILE 35 -9.277 -0.088 0.052 256 2HD1 ILE 35 2HG1 ILE 35 -10.013 -1.611 -0.557 257 3HD1 ILE 35 3HG1 ILE 35 -8.523 -0.962 -1.326 258 H THR 36 H THR 36 -11.543 -2.325 -0.963 259 HA THR 36 HA THR 36 -13.767 -3.869 -0.032 260 HB THR 36 HB THR 36 -11.725 -4.946 -0.836 261 HG1 THR 36 HG1 THR 36 -11.521 -6.274 1.080 262 1HG2 THR 36 1HG2 THR 36 -10.068 -3.217 0.053 263 2HG2 THR 36 2HG2 THR 36 -10.449 -3.811 1.707 264 3HG2 THR 36 3HG2 THR 36 -9.661 -4.905 0.518 265 H SER 37 H SER 37 -14.951 -3.542 1.667 266 HA SER 37 HA SER 37 -13.654 -2.303 4.035 267 1HB SER 37 2HB SER 37 -15.257 -0.774 4.152 268 2HB SER 37 1HB SER 37 -15.813 -1.319 2.583 269 HG SER 37 HG SER 37 -17.482 -1.363 4.166 270 H LYS 38 H LYS 38 -15.671 -4.786 2.731 271 HA LYS 38 HA LYS 38 -16.080 -5.888 5.441 272 1HB LYS 38 2HB LYS 38 -18.012 -6.846 4.756 273 2HB LYS 38 1HB LYS 38 -17.964 -5.499 3.636 274 1HG LYS 38 2HG LYS 38 -16.957 -6.933 1.932 275 2HG LYS 38 1HG LYS 38 -16.956 -8.280 3.052 276 1HD LYS 38 2HD LYS 38 -18.905 -8.736 1.937 277 2HD LYS 38 1HD LYS 38 -19.540 -7.689 3.190 278 1HE LYS 38 2HE LYS 38 -20.466 -6.648 1.378 279 2HE LYS 38 1HE LYS 38 -18.922 -5.821 1.390 280 1HZ LYS 38 1HZ LYS 38 -18.115 -7.406 -0.199 281 2HZ LYS 38 2HZ LYS 38 -19.574 -8.188 -0.210 282 3HZ LYS 38 3HZ LYS 38 -19.461 -6.639 -0.783 283 H LYS 39 H LYS 39 -15.019 -6.745 2.188 284 HA LYS 39 HA LYS 39 -14.062 -9.327 2.953 285 1HB LYS 39 2HB LYS 39 -14.495 -8.034 0.573 286 2HB LYS 39 1HB LYS 39 -12.752 -8.205 0.632 287 1HG LYS 39 2HG LYS 39 -13.576 -10.175 -0.416 288 2HG LYS 39 1HG LYS 39 -13.131 -10.639 1.214 289 1HD LYS 39 2HD LYS 39 -15.229 -11.638 0.900 290 2HD LYS 39 1HD LYS 39 -15.589 -10.183 1.808 291 1HE LYS 39 2HE LYS 39 -17.096 -9.750 0.194 292 2HE LYS 39 1HE LYS 39 -15.719 -9.311 -0.795 293 1HZ LYS 39 1HZ LYS 39 -15.626 -11.561 -1.580 294 2HZ LYS 39 2HZ LYS 39 -16.928 -11.976 -0.645 295 3HZ LYS 39 3HZ LYS 39 -17.112 -10.902 -1.892 296 H TRP 40 H TRP 40 -12.380 -9.898 4.058 297 HA TRP 40 HA TRP 40 -9.974 -8.213 3.978 298 1HB TRP 40 2HB TRP 40 -11.412 -8.898 6.516 299 2HB TRP 40 1HB TRP 40 -9.767 -8.300 6.449 300 HD1 TRP 40 HD1 TRP 40 -12.703 -6.858 7.545 301 HE1 TRP 40 HE1 TRP 40 -9.300 -6.646 3.788 302 HE3 TRP 40 HE3 TRP 40 -13.039 -4.362 6.941 303 HZ2 TRP 40 HZ2 TRP 40 -9.000 -4.471 2.614 304 HZ3 TRP 40 HZ3 TRP 40 -11.951 -2.542 5.053 305 HH2 TRP 40 HH2 TRP 40 -10.257 -2.465 3.194 306 H GLY 41 H GLY 41 -8.211 -9.375 3.803 307 1HA GLY 41 2HA GLY 41 -8.438 -12.282 4.422 308 2HA GLY 41 1HA GLY 41 -7.539 -11.651 3.057 309 H THR 42 H THR 42 -6.477 -13.370 5.005 310 HA THR 42 HA THR 42 -5.092 -12.090 7.082 311 HB THR 42 HB THR 42 -5.313 -14.536 6.889 312 HG1 THR 42 HG1 THR 42 -3.055 -14.855 7.412 313 1HG2 THR 42 1HG2 THR 42 -4.869 -14.707 4.379 314 2HG2 THR 42 2HG2 THR 42 -3.166 -14.246 4.724 315 3HG2 THR 42 3HG2 THR 42 -3.828 -15.790 5.367 316 H ARG 43 H ARG 43 -4.359 -12.401 3.678 317 HA ARG 43 HA ARG 43 -1.818 -10.949 4.063 318 1HB ARG 43 2HB ARG 43 -2.917 -12.705 1.975 319 2HB ARG 43 1HB ARG 43 -1.958 -11.355 1.401 320 1HG ARG 43 2HG ARG 43 -0.230 -12.098 3.161 321 2HG ARG 43 1HG ARG 43 -1.127 -13.602 3.204 322 1HD ARG 43 2HD ARG 43 -0.184 -12.456 0.599 323 2HD ARG 43 1HD ARG 43 0.885 -13.428 1.590 324 HE ARG 43 HE ARG 43 -0.426 -15.344 1.154 325 1HH1 ARG 43 2HH1 ARG 43 -1.912 -12.424 -0.233 326 2HH1 ARG 43 HH22 ARG 43 -3.052 -13.322 -1.209 327 1HH2 ARG 43 1HH1 ARG 43 -1.896 -16.485 -0.105 328 2HH2 ARG 43 2HH1 ARG 43 -3.038 -15.648 -1.132 329 H ASP 44 H ASP 44 -4.871 -10.102 3.968 330 HA ASP 44 HA ASP 44 -4.525 -7.865 2.044 331 1HB ASP 44 2HB ASP 44 -6.699 -9.528 2.631 332 2HB ASP 44 1HB ASP 44 -7.089 -7.969 3.329 333 H LEU 45 H LEU 45 -5.368 -5.759 2.717 334 HA LEU 45 HA LEU 45 -4.564 -5.245 5.504 335 1HB LEU 45 2HB LEU 45 -3.726 -4.040 3.302 336 2HB LEU 45 1HB LEU 45 -5.099 -3.017 3.672 337 HG LEU 45 HG LEU 45 -4.136 -2.635 5.905 338 1HD1 LEU 45 1HD1 LEU 45 -2.773 -4.634 6.125 339 2HD1 LEU 45 2HD1 LEU 45 -1.727 -4.076 4.774 340 3HD1 LEU 45 3HD1 LEU 45 -1.765 -3.159 6.320 341 1HD2 LEU 45 1HD2 LEU 45 -2.404 -1.822 3.560 342 2HD2 LEU 45 2HD2 LEU 45 -3.874 -0.973 4.152 343 3HD2 LEU 45 3HD2 LEU 45 -2.401 -1.043 5.181 344 H GLN 46 H GLN 46 -5.792 -4.052 6.934 345 HA GLN 46 HA GLN 46 -8.663 -4.409 6.490 346 1HB GLN 46 2HB GLN 46 -7.863 -5.149 8.612 347 2HB GLN 46 1HB GLN 46 -7.097 -3.604 8.919 348 1HG GLN 46 2HG GLN 46 -9.069 -2.575 9.450 349 2HG GLN 46 1HG GLN 46 -10.008 -3.580 8.364 350 1HE2 GLN 46 1HE2 GLN 46 -9.908 -5.991 8.966 351 2HE2 GLN 46 2HE2 GLN 46 -10.245 -6.367 10.641 352 H VAL 47 H VAL 47 -7.232 -2.463 4.932 353 HA VAL 47 HA VAL 47 -7.704 0.155 5.941 354 HB VAL 47 HB VAL 47 -7.364 0.885 3.656 355 1HG1 VAL 47 1HG1 VAL 47 -5.403 0.402 5.022 356 2HG1 VAL 47 2HG1 VAL 47 -5.463 -1.317 4.501 357 3HG1 VAL 47 3HG1 VAL 47 -5.102 -0.027 3.302 358 1HG2 VAL 47 1HG2 VAL 47 -7.429 -2.062 2.953 359 2HG2 VAL 47 2HG2 VAL 47 -8.641 -0.824 2.473 360 3HG2 VAL 47 3HG2 VAL 47 -6.962 -0.731 1.839 361 H LYS 48 H LYS 48 -9.241 1.719 5.123 362 HA LYS 48 HA LYS 48 -11.868 0.420 4.691 363 1HB LYS 48 2HB LYS 48 -11.026 2.580 6.475 364 2HB LYS 48 1HB LYS 48 -12.539 2.853 5.633 365 1HG LYS 48 2HG LYS 48 -13.344 1.712 7.445 366 2HG LYS 48 1HG LYS 48 -12.982 0.349 6.405 367 1HD LYS 48 2HD LYS 48 -11.024 -0.179 7.572 368 2HD LYS 48 1HD LYS 48 -10.916 1.413 8.294 369 1HE LYS 48 2HE LYS 48 -11.633 -0.305 9.922 370 2HE LYS 48 1HE LYS 48 -12.844 0.943 9.700 371 1HZ LYS 48 1HZ LYS 48 -13.995 -0.510 8.199 372 2HZ LYS 48 2HZ LYS 48 -12.851 -1.689 8.409 373 3HZ LYS 48 3HZ LYS 48 -13.814 -1.234 9.677 374 HA PRO 49 HA PRO 49 -12.260 2.495 0.945 375 1HB PRO 49 2HB PRO 49 -14.982 2.903 0.807 376 2HB PRO 49 1HB PRO 49 -14.172 1.394 0.439 377 1HG PRO 49 2HG PRO 49 -15.780 2.106 2.778 378 2HG PRO 49 1HG PRO 49 -15.328 0.519 2.189 379 1HD PRO 49 2HD PRO 49 -14.203 1.917 4.392 380 2HD PRO 49 1HD PRO 49 -13.675 0.383 3.731 381 H GLY 50 H GLY 50 -11.670 4.457 0.415 382 1HA GLY 50 2HA GLY 50 -12.150 6.790 0.143 383 2HA GLY 50 1HA GLY 50 -13.119 6.751 1.602 384 H GLU 51 H GLU 51 -10.227 5.004 1.810 385 HA GLU 51 HA GLU 51 -9.033 7.191 3.410 386 1HB GLU 51 2HB GLU 51 -9.280 4.345 3.837 387 2HB GLU 51 1HB GLU 51 -7.622 4.889 3.991 388 1HG GLU 51 2HG GLU 51 -8.818 4.990 6.142 389 2HG GLU 51 1HG GLU 51 -8.301 6.578 5.612 390 H SER 52 H SER 52 -6.585 7.052 3.545 391 HA SER 52 HA SER 52 -5.470 6.445 0.868 392 1HB SER 52 2HB SER 52 -4.467 8.504 0.617 393 2HB SER 52 1HB SER 52 -6.009 8.939 1.326 394 HG SER 52 HG SER 52 -4.243 10.002 2.349 395 H LEU 53 H LEU 53 -3.676 5.322 0.884 396 HA LEU 53 HA LEU 53 -1.950 5.443 3.257 397 1HB LEU 53 2HB LEU 53 -2.378 3.437 4.027 398 2HB LEU 53 1HB LEU 53 -3.756 3.396 2.945 399 HG LEU 53 HG LEU 53 -1.360 2.617 1.594 400 1HD1 LEU 53 1HD1 LEU 53 -0.560 1.894 3.772 401 2HD1 LEU 53 2HD1 LEU 53 -2.090 0.988 4.039 402 3HD1 LEU 53 3HD1 LEU 53 -0.955 0.474 2.742 403 1HD2 LEU 53 1HD2 LEU 53 -3.955 1.168 2.169 404 2HD2 LEU 53 2HD2 LEU 53 -3.592 2.187 0.733 405 3HD2 LEU 53 3HD2 LEU 53 -2.706 0.644 0.987 406 H GLU 54 H GLU 54 0.099 4.152 2.869 407 HA GLU 54 HA GLU 54 1.176 5.112 0.359 408 1HB GLU 54 2HB GLU 54 2.247 4.095 2.866 409 2HB GLU 54 1HB GLU 54 3.152 3.582 1.457 410 1HG GLU 54 2HG GLU 54 4.182 5.576 1.613 411 2HG GLU 54 1HG GLU 54 2.709 6.235 0.931 412 H VAL 55 H VAL 55 1.648 4.067 -1.442 413 HA VAL 55 HA VAL 55 0.893 1.203 -1.513 414 HB VAL 55 HB VAL 55 0.628 3.427 -3.421 415 1HG1 VAL 55 1HG1 VAL 55 2.091 1.928 -4.672 416 2HG1 VAL 55 2HG1 VAL 55 0.987 0.554 -4.317 417 3HG1 VAL 55 3HG1 VAL 55 0.428 1.912 -5.355 418 1HG2 VAL 55 1HG2 VAL 55 -1.080 1.004 -2.790 419 2HG2 VAL 55 2HG2 VAL 55 -1.316 2.670 -2.155 420 3HG2 VAL 55 3HG2 VAL 55 -1.529 2.338 -3.909 421 H ILE 56 H ILE 56 2.282 -0.322 -2.063 422 HA ILE 56 HA ILE 56 5.061 0.550 -2.441 423 HB ILE 56 HB ILE 56 4.057 -2.214 -1.959 424 1HG1 ILE 56 2HG1 ILE 56 4.790 -0.079 0.000 425 2HG1 ILE 56 1HG1 ILE 56 3.297 -0.991 -0.105 426 1HG2 ILE 56 1HG2 ILE 56 6.296 -2.158 -2.900 427 2HG2 ILE 56 2HG2 ILE 56 6.806 -0.992 -1.630 428 3HG2 ILE 56 3HG2 ILE 56 6.348 -2.671 -1.177 429 1HD1 ILE 56 1HG1 ILE 56 4.496 -3.067 0.500 430 2HD1 ILE 56 2HG1 ILE 56 6.027 -2.131 0.608 431 3HD1 ILE 56 3HG1 ILE 56 4.690 -1.804 1.765 432 H GLN 57 H GLN 57 5.453 -2.256 -3.620 433 HA GLN 57 HA GLN 57 5.061 -1.351 -6.398 434 1HB GLN 57 2HB GLN 57 6.837 -3.438 -5.189 435 2HB GLN 57 1HB GLN 57 6.601 -3.286 -6.919 436 1HG GLN 57 2HG GLN 57 7.534 -1.027 -5.159 437 2HG GLN 57 1HG GLN 57 8.621 -2.086 -6.036 438 1HE2 GLN 57 1HE2 GLN 57 6.218 0.416 -6.220 439 2HE2 GLN 57 2HE2 GLN 57 6.482 0.888 -7.884 440 H THR 58 H THR 58 4.364 -2.832 -8.032 441 HA THR 58 HA THR 58 1.954 -4.156 -7.251 442 HB THR 58 HB THR 58 2.056 -4.870 -9.746 443 HG1 THR 58 HG1 THR 58 3.778 -3.676 -10.787 444 1HG2 THR 58 1HG2 THR 58 0.893 -2.732 -8.972 445 2HG2 THR 58 2HG2 THR 58 2.482 -1.903 -9.120 446 3HG2 THR 58 3HG2 THR 58 1.680 -2.578 -10.581 447 H THR 59 H THR 59 1.545 -6.130 -6.618 448 HA THR 59 HA THR 59 3.636 -7.920 -5.968 449 HB THR 59 HB THR 59 0.649 -8.044 -5.995 450 HG1 THR 59 HG1 THR 59 1.266 -8.371 -3.761 451 1HG2 THR 59 1HG2 THR 59 1.453 -10.372 -6.673 452 2HG2 THR 59 2HG2 THR 59 2.520 -10.344 -5.227 453 3HG2 THR 59 3HG2 THR 59 0.734 -10.313 -5.027 454 H ASP 60 H ASP 60 0.992 -8.720 -8.173 455 HA ASP 60 HA ASP 60 2.944 -10.235 -9.824 456 1HB ASP 60 2HB ASP 60 1.213 -11.672 -9.125 457 2HB ASP 60 1HB ASP 60 -0.015 -10.461 -9.431 458 H ASP 61 H ASP 61 -0.227 -9.316 -10.874 459 HA ASP 61 HA ASP 61 0.996 -7.474 -12.874 460 1HB ASP 61 2HB ASP 61 -0.870 -9.688 -13.147 461 2HB ASP 61 1HB ASP 61 -1.457 -8.204 -13.869 462 H THR 62 H THR 62 -2.087 -8.298 -11.305 463 HA THR 62 HA THR 62 -2.659 -5.389 -11.143 464 HB THR 62 HB THR 62 -4.893 -7.354 -11.064 465 HG1 THR 62 HG1 THR 62 -4.638 -7.474 -13.387 466 1HG2 THR 62 1HG2 THR 62 -5.257 -4.827 -11.125 467 2HG2 THR 62 2HG2 THR 62 -4.390 -4.814 -12.700 468 3HG2 THR 62 3HG2 THR 62 -5.955 -5.686 -12.542 469 H LYS 63 H LYS 63 -1.213 -5.698 -9.215 470 HA LYS 63 HA LYS 63 -2.931 -5.810 -6.897 471 1HB LYS 63 2HB LYS 63 -2.539 -8.157 -7.050 472 2HB LYS 63 1HB LYS 63 -0.815 -7.907 -7.232 473 1HG LYS 63 2HG LYS 63 -0.975 -8.445 -4.982 474 2HG LYS 63 1HG LYS 63 -1.022 -6.695 -4.931 475 1HD LYS 63 2HD LYS 63 -2.882 -6.996 -3.689 476 2HD LYS 63 1HD LYS 63 -3.661 -7.290 -5.231 477 1HE LYS 63 2HE LYS 63 -2.328 -9.572 -3.859 478 2HE LYS 63 1HE LYS 63 -3.877 -9.024 -3.252 479 1HZ LYS 63 1HZ LYS 63 -4.782 -9.313 -5.441 480 2HZ LYS 63 2HZ LYS 63 -3.317 -9.830 -6.015 481 3HZ LYS 63 3HZ LYS 63 -4.134 -10.734 -4.893 482 H VAL 64 H VAL 64 -2.338 -4.375 -5.464 483 HA VAL 64 HA VAL 64 0.462 -3.406 -5.604 484 HB VAL 64 HB VAL 64 -0.285 -1.163 -5.286 485 1HG1 VAL 64 1HG1 VAL 64 -0.116 -1.932 -7.595 486 2HG1 VAL 64 2HG1 VAL 64 -1.820 -2.504 -7.529 487 3HG1 VAL 64 3HG1 VAL 64 -1.456 -0.747 -7.415 488 1HG2 VAL 64 1HG2 VAL 64 -3.101 -2.280 -5.265 489 2HG2 VAL 64 2HG2 VAL 64 -2.226 -1.564 -3.867 490 3HG2 VAL 64 3HG2 VAL 64 -2.667 -0.535 -5.274 491 H LEU 65 H LEU 65 1.549 -3.560 -3.813 492 HA LEU 65 HA LEU 65 0.075 -4.234 -1.370 493 1HB LEU 65 2HB LEU 65 1.730 -5.707 -1.363 494 2HB LEU 65 1HB LEU 65 2.748 -4.720 -2.393 495 HG LEU 65 HG LEU 65 3.068 -3.321 -0.241 496 1HD1 LEU 65 1HD1 LEU 65 1.417 -4.451 1.136 497 2HD1 LEU 65 2HD1 LEU 65 2.294 -6.006 0.922 498 3HD1 LEU 65 3HD1 LEU 65 3.063 -4.657 1.829 499 1HD2 LEU 65 1HD2 LEU 65 4.423 -5.995 -0.655 500 2HD2 LEU 65 2HD2 LEU 65 4.873 -4.434 -1.425 501 3HD2 LEU 65 3HD2 LEU 65 5.058 -4.647 0.351 502 H CYS 66 H CYS 66 -0.481 -2.833 0.076 503 HA CYS 66 HA CYS 66 0.832 -0.187 0.007 504 1HB CYS 66 2HB CYS 66 -1.642 -0.826 1.564 505 2HB CYS 66 1HB CYS 66 -1.077 0.734 1.000 506 HG CYS 66 HG CYS 66 -3.338 -0.009 -0.602 507 H ARG 67 H ARG 67 1.276 0.876 2.059 508 HA ARG 67 HA ARG 67 1.921 -1.047 4.219 509 1HB ARG 67 2HB ARG 67 3.880 -0.176 2.595 510 2HB ARG 67 1HB ARG 67 3.869 1.115 3.779 511 1HG ARG 67 2HG ARG 67 3.860 -0.841 5.508 512 2HG ARG 67 1HG ARG 67 4.469 -1.786 4.164 513 1HD ARG 67 2HD ARG 67 6.477 -0.681 4.119 514 2HD ARG 67 1HD ARG 67 5.783 0.822 4.692 515 HE ARG 67 HE ARG 67 5.722 -1.275 6.702 516 1HH1 ARG 67 2HH1 ARG 67 7.751 1.260 5.251 517 2HH1 ARG 67 HH22 ARG 67 8.765 1.427 6.666 518 1HH2 ARG 67 1HH1 ARG 67 7.032 -1.051 8.513 519 2HH2 ARG 67 2HH1 ARG 67 8.348 0.101 8.531 520 H ASN 68 H ASN 68 1.815 -0.285 6.276 521 HA ASN 68 HA ASN 68 0.770 2.494 6.548 522 1HB ASN 68 2HB ASN 68 -0.180 1.393 8.756 523 2HB ASN 68 1HB ASN 68 -1.061 1.283 7.246 524 1HD2 ASN 68 1HD2 ASN 68 1.417 -0.344 9.179 525 2HD2 ASN 68 2HD2 ASN 68 0.964 -1.985 8.778 526 H GLU 69 H GLU 69 1.552 3.748 8.173 527 HA GLU 69 HA GLU 69 4.184 3.342 9.023 528 1HB GLU 69 2HB GLU 69 2.394 5.394 9.205 529 2HB GLU 69 1HB GLU 69 2.612 4.934 10.882 530 1HG GLU 69 2HG GLU 69 5.147 4.990 9.514 531 2HG GLU 69 1HG GLU 69 4.319 6.524 9.334 532 H GLU 70 H GLU 70 1.363 1.843 10.061 533 HA GLU 70 HA GLU 70 1.920 1.386 12.787 534 1HB GLU 70 2HB GLU 70 -0.106 0.700 11.114 535 2HB GLU 70 1HB GLU 70 0.658 -0.850 11.401 536 1HG GLU 70 2HG GLU 70 -1.077 -0.455 13.062 537 2HG GLU 70 1HG GLU 70 0.498 -0.464 13.829 538 H GLY 71 H GLY 71 3.592 0.432 10.059 539 1HA GLY 71 2HA GLY 71 5.614 -0.738 10.003 540 2HA GLY 71 1HA GLY 71 5.362 -1.250 11.659 541 H LYS 72 H LYS 72 2.764 -1.629 9.453 542 HA LYS 72 HA LYS 72 3.426 -4.499 9.152 543 1HB LYS 72 2HB LYS 72 1.789 -4.621 10.766 544 2HB LYS 72 1HB LYS 72 0.898 -3.262 10.111 545 1HG LYS 72 2HG LYS 72 1.188 -5.668 8.397 546 2HG LYS 72 1HG LYS 72 0.087 -5.769 9.756 547 1HD LYS 72 2HD LYS 72 -0.086 -3.381 7.995 548 2HD LYS 72 1HD LYS 72 -0.721 -4.897 7.389 549 1HE LYS 72 2HE LYS 72 -2.539 -4.740 8.690 550 2HE LYS 72 1HE LYS 72 -1.565 -4.431 10.114 551 1HZ LYS 72 1HZ LYS 72 -1.425 -2.141 9.461 552 2HZ LYS 72 2HZ LYS 72 -2.345 -2.433 8.116 553 3HZ LYS 72 3HZ LYS 72 -3.008 -2.598 9.624 554 H TYR 73 H TYR 73 2.763 -5.530 7.286 555 HA TYR 73 HA TYR 73 2.136 -3.643 5.058 556 1HB TYR 73 2HB TYR 73 3.718 -6.198 5.251 557 2HB TYR 73 1HB TYR 73 3.294 -5.456 3.721 558 HD1 TYR 73 HD1 TYR 73 4.985 -4.648 6.949 559 HD2 TYR 73 HD2 TYR 73 4.773 -3.960 2.742 560 HE1 TYR 73 HE1 TYR 73 7.056 -3.189 7.075 561 HE2 TYR 73 HE2 TYR 73 6.844 -2.504 2.883 562 HH TYR 73 HH TYR 73 8.353 -1.679 4.181 563 H GLY 74 H GLY 74 0.836 -4.427 3.338 564 1HA GLY 74 2HA GLY 74 -0.609 -6.939 3.685 565 2HA GLY 74 1HA GLY 74 -1.583 -5.500 3.911 566 H TYR 75 H TYR 75 -2.051 -7.412 1.923 567 HA TYR 75 HA TYR 75 -1.117 -6.119 -0.583 568 1HB TYR 75 2HB TYR 75 -2.245 -8.765 0.235 569 2HB TYR 75 1HB TYR 75 -2.339 -8.264 -1.441 570 HD1 TYR 75 HD1 TYR 75 -0.660 -10.455 0.378 571 HD2 TYR 75 HD2 TYR 75 0.204 -6.972 -1.933 572 HE1 TYR 75 HE1 TYR 75 1.703 -11.290 -0.011 573 HE2 TYR 75 HE2 TYR 75 2.565 -7.818 -2.312 574 HH TYR 75 HH TYR 75 3.970 -9.403 -1.919 575 H VAL 76 H VAL 76 -2.576 -5.561 -2.221 576 HA VAL 76 HA VAL 76 -5.416 -5.411 -1.413 577 HB VAL 76 HB VAL 76 -4.210 -3.109 -2.822 578 1HG1 VAL 76 1HG1 VAL 76 -6.638 -3.217 -2.622 579 2HG1 VAL 76 2HG1 VAL 76 -6.484 -3.375 -0.838 580 3HG1 VAL 76 3HG1 VAL 76 -5.979 -1.854 -1.652 581 1HG2 VAL 76 1HG2 VAL 76 -4.084 -3.508 0.179 582 2HG2 VAL 76 2HG2 VAL 76 -2.684 -3.435 -0.947 583 3HG2 VAL 76 3HG2 VAL 76 -3.707 -1.979 -0.690 584 H LEU 77 H LEU 77 -6.702 -6.251 -2.845 585 HA LEU 77 HA LEU 77 -5.644 -7.089 -5.392 586 1HB LEU 77 2HB LEU 77 -7.530 -8.074 -3.788 587 2HB LEU 77 1HB LEU 77 -8.532 -7.221 -4.945 588 HG LEU 77 HG LEU 77 -6.789 -9.579 -5.332 589 1HD1 LEU 77 1HD1 LEU 77 -9.144 -9.967 -4.875 590 2HD1 LEU 77 2HD1 LEU 77 -9.592 -8.896 -6.248 591 3HD1 LEU 77 3HD1 LEU 77 -8.741 -10.449 -6.559 592 1HD2 LEU 77 1HD2 LEU 77 -7.622 -7.696 -7.549 593 2HD2 LEU 77 2HD2 LEU 77 -5.944 -8.016 -6.988 594 3HD2 LEU 77 3HD2 LEU 77 -6.893 -9.322 -7.780 595 H ARG 78 H ARG 78 -6.050 -6.372 -7.409 596 HA ARG 78 HA ARG 78 -6.391 -3.608 -7.762 597 1HB ARG 78 2HB ARG 78 -6.433 -4.016 -10.087 598 2HB ARG 78 1HB ARG 78 -5.415 -5.272 -9.412 599 1HG ARG 78 2HG ARG 78 -6.720 -6.718 -10.527 600 2HG ARG 78 1HG ARG 78 -7.929 -6.389 -9.302 601 1HD ARG 78 2HD ARG 78 -7.979 -4.320 -11.293 602 2HD ARG 78 1HD ARG 78 -8.119 -5.888 -12.064 603 HE ARG 78 HE ARG 78 -9.894 -6.140 -10.022 604 1HH1 ARG 78 2HH1 ARG 78 -9.433 -3.561 -12.429 605 2HH1 ARG 78 HH22 ARG 78 -11.118 -3.089 -12.422 606 1HH2 ARG 78 1HH1 ARG 78 -12.054 -5.525 -10.024 607 2HH2 ARG 78 2HH1 ARG 78 -12.614 -4.218 -11.043 608 H SER 79 H SER 79 -8.679 -6.118 -7.315 609 HA SER 79 HA SER 79 -10.945 -5.166 -8.601 610 1HB SER 79 2HB SER 79 -11.082 -7.249 -7.491 611 2HB SER 79 1HB SER 79 -10.669 -6.531 -5.948 612 HG SER 79 HG SER 79 -12.921 -6.960 -6.139 613 H TYR 80 H TYR 80 -10.020 -4.465 -5.244 614 HA TYR 80 HA TYR 80 -11.570 -1.918 -5.444 615 1HB TYR 80 2HB TYR 80 -11.564 -2.257 -2.891 616 2HB TYR 80 1HB TYR 80 -12.602 -3.293 -3.850 617 HD1 TYR 80 HD1 TYR 80 -9.453 -3.147 -1.936 618 HD2 TYR 80 HD2 TYR 80 -12.261 -5.657 -3.945 619 HE1 TYR 80 HE1 TYR 80 -8.359 -5.196 -0.920 620 HE2 TYR 80 HE2 TYR 80 -11.158 -7.698 -2.919 621 HH TYR 80 HH TYR 80 -9.585 -8.410 -1.631 622 H LEU 81 H LEU 81 -9.615 -0.959 -6.363 623 HA LEU 81 HA LEU 81 -8.060 0.296 -4.312 624 1HB LEU 81 2HB LEU 81 -6.769 -1.628 -4.201 625 2HB LEU 81 1HB LEU 81 -6.773 -1.833 -5.941 626 HG LEU 81 HG LEU 81 -4.650 -1.034 -4.721 627 1HD1 LEU 81 1HD1 LEU 81 -4.815 -1.290 -7.132 628 2HD1 LEU 81 2HD1 LEU 81 -5.641 0.302 -7.250 629 3HD1 LEU 81 3HD1 LEU 81 -3.926 0.217 -6.717 630 1HD2 LEU 81 1HD2 LEU 81 -6.154 1.580 -4.986 631 2HD2 LEU 81 2HD2 LEU 81 -5.648 0.784 -3.455 632 3HD2 LEU 81 3HD2 LEU 81 -4.407 1.415 -4.593 633 H ALA 82 H ALA 82 -7.146 2.161 -4.961 634 HA ALA 82 HA ALA 82 -8.190 3.393 -7.252 635 1HB ALA 82 1HB ALA 82 -7.349 4.643 -5.320 636 2HB ALA 82 2HB ALA 82 -5.680 4.089 -5.694 637 3HB ALA 82 3HB ALA 82 -6.540 5.185 -6.832 638 H ASP 83 H ASP 83 -6.687 4.467 -8.935 639 HA ASP 83 HA ASP 83 -5.828 2.480 -10.719 640 1HB ASP 83 2HB ASP 83 -4.615 5.214 -10.631 641 2HB ASP 83 1HB ASP 83 -4.897 4.197 -12.029 Start of MODEL 7 1 H GLU 7 H1 GLU 7 1.851 -4.752 13.845 2 HA GLU 7 HA GLU 7 3.859 -3.605 13.562 3 1HB GLU 7 2HB GLU 7 5.487 -3.467 15.349 4 2HB GLU 7 1HB GLU 7 4.002 -2.663 15.816 5 1HG GLU 7 2HG GLU 7 3.367 -4.908 16.905 6 2HG GLU 7 1HG GLU 7 5.065 -5.311 16.744 7 H LYS 8 H LYS 8 3.316 -6.426 15.606 8 HA LYS 8 HA LYS 8 5.526 -7.912 14.628 9 1HB LYS 8 2HB LYS 8 4.396 -8.441 16.721 10 2HB LYS 8 1HB LYS 8 2.974 -8.937 15.827 11 1HG LYS 8 2HG LYS 8 5.368 -10.249 14.853 12 2HG LYS 8 1HG LYS 8 5.104 -10.560 16.557 13 1HD LYS 8 2HD LYS 8 2.728 -11.172 15.967 14 2HD LYS 8 1HD LYS 8 3.207 -11.098 14.283 15 1HE LYS 8 2HE LYS 8 4.534 -12.862 16.335 16 2HE LYS 8 1HE LYS 8 3.272 -13.403 15.246 17 1HZ LYS 8 1HZ LYS 8 4.674 -12.817 13.406 18 2HZ LYS 8 2HZ LYS 8 5.867 -12.305 14.435 19 3HZ LYS 8 3HZ LYS 8 5.440 -13.905 14.391 20 H GLU 9 H GLU 9 2.722 -6.892 13.156 21 HA GLU 9 HA GLU 9 2.139 -9.068 11.446 22 1HB GLU 9 2HB GLU 9 1.493 -6.214 11.521 23 2HB GLU 9 1HB GLU 9 1.462 -6.939 9.926 24 1HG GLU 9 2HG GLU 9 0.178 -8.644 11.874 25 2HG GLU 9 1HG GLU 9 -0.555 -7.053 11.843 26 H GLU 10 H GLU 10 4.661 -6.725 11.457 27 HA GLU 10 HA GLU 10 5.428 -6.883 8.736 28 1HB GLU 10 2HB GLU 10 6.421 -5.124 9.846 29 2HB GLU 10 1HB GLU 10 6.837 -6.103 11.238 30 1HG GLU 10 2HG GLU 10 8.081 -6.856 8.660 31 2HG GLU 10 1HG GLU 10 8.642 -5.372 9.403 32 H LYS 11 H LYS 11 6.280 -8.799 11.557 33 HA LYS 11 HA LYS 11 8.179 -10.422 10.144 34 1HB LYS 11 2HB LYS 11 6.832 -10.712 12.798 35 2HB LYS 11 1HB LYS 11 7.946 -11.912 12.174 36 1HG LYS 11 2HG LYS 11 9.411 -10.595 13.358 37 2HG LYS 11 1HG LYS 11 9.483 -9.796 11.801 38 1HD LYS 11 2HD LYS 11 7.951 -8.097 12.522 39 2HD LYS 11 1HD LYS 11 7.614 -8.960 14.009 40 1HE LYS 11 2HE LYS 11 10.394 -8.050 13.345 41 2HE LYS 11 1HE LYS 11 9.250 -6.971 14.116 42 1HZ LYS 11 1HZ LYS 11 9.000 -8.567 15.871 43 2HZ LYS 11 2HZ LYS 11 10.081 -9.588 15.143 44 3HZ LYS 11 3HZ LYS 11 10.587 -8.120 15.721 45 H ASP 12 H ASP 12 4.759 -10.511 10.720 46 HA ASP 12 HA ASP 12 4.401 -13.217 9.743 47 1HB ASP 12 2HB ASP 12 2.800 -12.095 11.271 48 2HB ASP 12 1HB ASP 12 2.391 -10.995 9.971 49 H PHE 13 H PHE 13 4.421 -9.975 8.460 50 HA PHE 13 HA PHE 13 3.173 -10.444 5.959 51 1HB PHE 13 2HB PHE 13 3.537 -8.227 6.641 52 2HB PHE 13 1HB PHE 13 5.223 -8.530 7.007 53 HD1 PHE 13 HD1 PHE 13 2.812 -7.875 4.344 54 HD2 PHE 13 HD2 PHE 13 6.898 -8.448 5.294 55 HE1 PHE 13 HE1 PHE 13 3.459 -7.004 2.087 56 HE2 PHE 13 HE2 PHE 13 7.545 -7.577 3.037 57 HZ PHE 13 HZ PHE 13 5.818 -6.869 1.459 58 H ARG 14 H ARG 14 6.617 -10.362 6.840 59 HA ARG 14 HA ARG 14 7.621 -11.107 4.312 60 1HB ARG 14 2HB ARG 14 9.686 -11.406 5.343 61 2HB ARG 14 1HB ARG 14 8.886 -10.249 6.388 62 1HG ARG 14 2HG ARG 14 8.070 -12.477 7.590 63 2HG ARG 14 1HG ARG 14 9.545 -13.101 6.880 64 1HD ARG 14 2HD ARG 14 9.795 -10.497 8.238 65 2HD ARG 14 1HD ARG 14 9.453 -11.863 9.281 66 HE ARG 14 HE ARG 14 11.570 -12.452 7.395 67 1HH1 ARG 14 2HH1 ARG 14 10.885 -10.857 10.501 68 2HH1 ARG 14 HH22 ARG 14 12.523 -11.032 11.089 69 1HH2 ARG 14 1HH1 ARG 14 13.671 -12.671 8.164 70 2HH2 ARG 14 2HH1 ARG 14 14.114 -12.072 9.746 71 H LYS 15 H LYS 15 6.292 -12.957 6.937 72 HA LYS 15 HA LYS 15 7.253 -15.499 6.280 73 1HB LYS 15 2HB LYS 15 6.170 -15.697 8.224 74 2HB LYS 15 1HB LYS 15 5.020 -14.437 7.826 75 1HG LYS 15 2HG LYS 15 4.655 -16.805 6.187 76 2HG LYS 15 1HG LYS 15 4.504 -17.158 7.896 77 1HD LYS 15 2HD LYS 15 2.908 -15.221 8.060 78 2HD LYS 15 1HD LYS 15 2.948 -15.125 6.311 79 1HE LYS 15 2HE LYS 15 2.194 -17.632 7.798 80 2HE LYS 15 1HE LYS 15 1.019 -16.443 7.272 81 1HZ LYS 15 1HZ LYS 15 1.765 -16.769 5.031 82 2HZ LYS 15 2HZ LYS 15 2.875 -17.892 5.528 83 3HZ LYS 15 3HZ LYS 15 1.256 -18.203 5.684 84 H LYS 16 H LYS 16 4.183 -14.025 5.282 85 HA LYS 16 HA LYS 16 3.899 -16.043 3.196 86 1HB LYS 16 2HB LYS 16 1.997 -15.163 4.612 87 2HB LYS 16 1HB LYS 16 2.085 -13.707 3.641 88 1HG LYS 16 2HG LYS 16 0.397 -15.275 2.773 89 2HG LYS 16 1HG LYS 16 1.685 -15.007 1.616 90 1HD LYS 16 2HD LYS 16 2.237 -17.232 3.408 91 2HD LYS 16 1HD LYS 16 0.773 -17.467 2.475 92 1HE LYS 16 2HE LYS 16 2.700 -16.435 0.695 93 2HE LYS 16 1HE LYS 16 3.496 -17.693 1.618 94 1HZ LYS 16 1HZ LYS 16 1.713 -19.172 1.049 95 2HZ LYS 16 2HZ LYS 16 0.960 -17.983 0.176 96 3HZ LYS 16 3HZ LYS 16 2.425 -18.574 -0.321 97 H PHE 17 H PHE 17 4.790 -12.706 3.569 98 HA PHE 17 HA PHE 17 4.909 -12.243 0.674 99 1HB PHE 17 2HB PHE 17 5.534 -10.665 3.151 100 2HB PHE 17 1HB PHE 17 5.889 -10.052 1.548 101 HD1 PHE 17 HD1 PHE 17 3.033 -11.572 3.384 102 HD2 PHE 17 HD2 PHE 17 4.336 -8.655 0.606 103 HE1 PHE 17 HE1 PHE 17 0.692 -10.701 3.199 104 HE2 PHE 17 HE2 PHE 17 1.995 -7.784 0.423 105 HZ PHE 17 HZ PHE 17 0.201 -8.820 1.719 106 H LYS 18 H LYS 18 6.581 -14.324 2.011 107 HA LYS 18 HA LYS 18 9.177 -13.759 2.470 108 1HB LYS 18 2HB LYS 18 7.770 -16.011 1.483 109 2HB LYS 18 1HB LYS 18 9.282 -15.869 0.608 110 1HG LYS 18 2HG LYS 18 9.495 -15.442 3.506 111 2HG LYS 18 1HG LYS 18 9.027 -17.064 3.037 112 1HD LYS 18 2HD LYS 18 11.280 -15.827 1.560 113 2HD LYS 18 1HD LYS 18 11.583 -16.316 3.215 114 1HE LYS 18 2HE LYS 18 10.140 -18.357 1.751 115 2HE LYS 18 1HE LYS 18 11.658 -17.957 0.972 116 1HZ LYS 18 1HZ LYS 18 12.766 -18.325 3.052 117 2HZ LYS 18 2HZ LYS 18 11.332 -18.703 3.788 118 3HZ LYS 18 3HZ LYS 18 11.933 -19.681 2.595 119 H TYR 19 H TYR 19 7.634 -12.222 0.216 120 HA TYR 19 HA TYR 19 9.274 -12.299 -2.106 121 1HB TYR 19 2HB TYR 19 7.337 -11.173 -2.488 122 2HB TYR 19 1HB TYR 19 7.246 -10.587 -0.839 123 HD1 TYR 19 HD1 TYR 19 9.542 -10.098 -3.752 124 HD2 TYR 19 HD2 TYR 19 7.231 -8.291 -0.653 125 HE1 TYR 19 HE1 TYR 19 10.293 -7.802 -4.522 126 HE2 TYR 19 HE2 TYR 19 7.991 -6.000 -1.431 127 HH TYR 19 HH TYR 19 9.182 -4.912 -2.861 128 H ASP 20 H ASP 20 11.324 -11.755 -2.342 129 HA ASP 20 HA ASP 20 12.543 -9.890 -0.388 130 1HB ASP 20 2HB ASP 20 13.811 -11.874 -0.590 131 2HB ASP 20 1HB ASP 20 13.675 -11.863 -2.337 132 H GLY 21 H GLY 21 11.985 -7.893 -1.086 133 1HA GLY 21 2HA GLY 21 13.249 -7.035 -3.604 134 2HA GLY 21 1HA GLY 21 11.525 -6.765 -3.443 135 H GLU 22 H GLU 22 12.387 -4.518 -3.807 136 HA GLU 22 HA GLU 22 13.400 -3.332 -1.300 137 1HB GLU 22 2HB GLU 22 14.630 -2.787 -3.348 138 2HB GLU 22 1HB GLU 22 13.172 -2.090 -4.026 139 1HG GLU 22 2HG GLU 22 13.166 -0.622 -1.887 140 2HG GLU 22 1HG GLU 22 14.850 -1.091 -1.757 141 H ILE 23 H ILE 23 11.624 -3.319 -0.019 142 HA ILE 23 HA ILE 23 9.096 -2.335 -0.933 143 HB ILE 23 HB ILE 23 10.116 -3.566 1.373 144 1HG1 ILE 23 2HG1 ILE 23 7.250 -2.914 0.832 145 2HG1 ILE 23 1HG1 ILE 23 8.126 -4.138 -0.065 146 1HG2 ILE 23 1HG2 ILE 23 10.232 -1.387 2.441 147 2HG2 ILE 23 2HG2 ILE 23 8.520 -1.069 1.990 148 3HG2 ILE 23 3HG2 ILE 23 8.913 -2.374 3.163 149 1HD1 ILE 23 1HG1 ILE 23 8.637 -5.343 2.033 150 2HD1 ILE 23 2HG1 ILE 23 7.738 -4.087 2.954 151 3HD1 ILE 23 3HG1 ILE 23 6.865 -5.154 1.800 152 H ARG 24 H ARG 24 8.835 -0.389 -1.671 153 HA ARG 24 HA ARG 24 9.442 1.863 0.077 154 1HB ARG 24 2HB ARG 24 11.486 1.303 -1.495 155 2HB ARG 24 1HB ARG 24 10.510 2.154 -2.677 156 1HG ARG 24 2HG ARG 24 10.759 3.469 -0.051 157 2HG ARG 24 1HG ARG 24 12.233 3.383 -0.995 158 1HD ARG 24 2HD ARG 24 11.489 4.885 -2.511 159 2HD ARG 24 1HD ARG 24 9.875 4.205 -2.530 160 HE ARG 24 HE ARG 24 9.221 5.869 -1.061 161 1HH1 ARG 24 2HH1 ARG 24 12.722 5.349 -0.704 162 2HH1 ARG 24 HH22 ARG 24 12.915 6.628 0.473 163 1HH2 ARG 24 1HH1 ARG 24 9.481 7.510 0.452 164 2HH2 ARG 24 2HH1 ARG 24 11.054 7.863 1.132 165 H VAL 25 H VAL 25 7.747 3.113 0.060 166 HA VAL 25 HA VAL 25 5.684 2.815 -1.894 167 HB VAL 25 HB VAL 25 5.154 3.420 0.350 168 1HG1 VAL 25 1HG1 VAL 25 7.187 4.626 0.951 169 2HG1 VAL 25 2HG1 VAL 25 6.712 5.971 -0.143 170 3HG1 VAL 25 3HG1 VAL 25 5.729 5.612 1.319 171 1HG2 VAL 25 1HG2 VAL 25 4.531 5.696 -1.552 172 2HG2 VAL 25 2HG2 VAL 25 3.594 4.172 -1.369 173 3HG2 VAL 25 3HG2 VAL 25 3.665 5.351 -0.014 174 H LEU 26 H LEU 26 6.185 3.223 -3.929 175 HA LEU 26 HA LEU 26 7.643 5.688 -4.557 176 1HB LEU 26 2HB LEU 26 6.962 3.233 -6.059 177 2HB LEU 26 1HB LEU 26 7.337 4.701 -6.939 178 HG LEU 26 HG LEU 26 9.344 4.320 -5.015 179 1HD1 LEU 26 1HD1 LEU 26 8.712 1.978 -4.865 180 2HD1 LEU 26 2HD1 LEU 26 8.817 1.829 -6.653 181 3HD1 LEU 26 3HD1 LEU 26 10.300 2.151 -5.689 182 1HD2 LEU 26 1HD2 LEU 26 9.381 4.023 -8.027 183 2HD2 LEU 26 2HD2 LEU 26 9.628 5.541 -7.097 184 3HD2 LEU 26 3HD2 LEU 26 10.829 4.208 -6.978 185 H TYR 27 H TYR 27 4.575 4.110 -5.327 186 HA TYR 27 HA TYR 27 3.440 6.813 -5.899 187 1HB TYR 27 2HB TYR 27 2.168 5.783 -7.660 188 2HB TYR 27 1HB TYR 27 3.852 5.356 -7.889 189 HD1 TYR 27 HD1 TYR 27 4.641 3.062 -7.205 190 HD2 TYR 27 HD2 TYR 27 0.509 4.121 -7.382 191 HE1 TYR 27 HE1 TYR 27 4.005 0.607 -7.251 192 HE2 TYR 27 HE2 TYR 27 -0.111 1.662 -7.427 193 HH TYR 27 HH TYR 27 0.632 -0.360 -7.405 194 H SER 28 H SER 28 2.688 6.944 -3.738 195 HA SER 28 HA SER 28 0.989 4.887 -2.646 196 1HB SER 28 2HB SER 28 0.489 6.549 -0.894 197 2HB SER 28 1HB SER 28 2.207 6.309 -1.139 198 HG SER 28 HG SER 28 1.649 8.535 -0.970 199 H THR 29 H THR 29 -0.885 4.392 -3.476 200 HA THR 29 HA THR 29 -2.470 6.458 -4.814 201 HB THR 29 HB THR 29 -2.035 4.009 -5.622 202 HG1 THR 29 HG1 THR 29 -4.158 4.229 -6.580 203 1HG2 THR 29 1HG2 THR 29 -2.980 2.920 -3.513 204 2HG2 THR 29 2HG2 THR 29 -4.550 3.706 -3.901 205 3HG2 THR 29 3HG2 THR 29 -3.865 2.469 -5.011 206 H LYS 30 H LYS 30 -4.770 6.676 -4.399 207 HA LYS 30 HA LYS 30 -5.233 6.631 -1.483 208 1HB LYS 30 2HB LYS 30 -5.402 8.735 -3.116 209 2HB LYS 30 1HB LYS 30 -7.054 8.160 -3.212 210 1HG LYS 30 2HG LYS 30 -6.535 8.017 -0.521 211 2HG LYS 30 1HG LYS 30 -5.657 9.457 -0.997 212 1HD LYS 30 2HD LYS 30 -7.558 10.604 -1.535 213 2HD LYS 30 1HD LYS 30 -8.407 9.162 -2.054 214 1HE LYS 30 2HE LYS 30 -8.268 8.577 0.524 215 2HE LYS 30 1HE LYS 30 -8.141 10.318 0.674 216 1HZ LYS 30 1HZ LYS 30 -10.161 10.525 -0.576 217 2HZ LYS 30 2HZ LYS 30 -10.282 8.880 -0.718 218 3HZ LYS 30 3HZ LYS 30 -10.409 9.594 0.771 219 H VAL 31 H VAL 31 -6.862 5.588 -0.548 220 HA VAL 31 HA VAL 31 -8.077 3.472 -2.082 221 HB VAL 31 HB VAL 31 -8.976 4.187 0.645 222 1HG1 VAL 31 1HG1 VAL 31 -9.992 2.255 -0.443 223 2HG1 VAL 31 2HG1 VAL 31 -8.361 1.551 -0.718 224 3HG1 VAL 31 3HG1 VAL 31 -8.988 1.742 0.957 225 1HG2 VAL 31 1HG2 VAL 31 -6.283 2.953 0.010 226 2HG2 VAL 31 2HG2 VAL 31 -6.569 4.564 0.755 227 3HG2 VAL 31 3HG2 VAL 31 -7.021 3.068 1.645 228 H THR 32 H THR 32 -10.008 3.307 -2.973 229 HA THR 32 HA THR 32 -11.582 5.757 -3.159 230 HB THR 32 HB THR 32 -11.481 3.153 -4.626 231 HG1 THR 32 HG1 THR 32 -11.286 4.802 -6.274 232 1HG2 THR 32 1HG2 THR 32 -13.957 3.662 -4.254 233 2HG2 THR 32 2HG2 THR 32 -13.646 5.297 -4.935 234 3HG2 THR 32 3HG2 THR 32 -13.437 3.839 -5.967 235 H THR 33 H THR 33 -13.477 6.195 -2.270 236 HA THR 33 HA THR 33 -14.304 4.991 0.071 237 HB THR 33 HB THR 33 -15.052 7.214 -0.799 238 HG1 THR 33 HG1 THR 33 -17.180 6.819 0.091 239 1HG2 THR 33 1HG2 THR 33 -15.757 6.419 -3.122 240 2HG2 THR 33 2HG2 THR 33 -17.074 5.491 -2.323 241 3HG2 THR 33 3HG2 THR 33 -17.058 7.287 -2.235 242 H SER 34 H SER 34 -14.412 3.686 -3.000 243 HA SER 34 HA SER 34 -16.588 1.815 -2.273 244 1HB SER 34 2HB SER 34 -17.084 1.587 -4.457 245 2HB SER 34 1HB SER 34 -16.275 3.135 -4.587 246 HG SER 34 HG SER 34 -15.496 1.608 -6.121 247 H ILE 35 H ILE 35 -13.636 1.989 -1.452 248 HA ILE 35 HA ILE 35 -12.438 -0.374 -2.548 249 HB ILE 35 HB ILE 35 -11.538 1.751 -1.139 250 1HG1 ILE 35 2HG1 ILE 35 -10.486 -0.359 -2.577 251 2HG1 ILE 35 1HG1 ILE 35 -9.633 1.069 -2.027 252 1HG2 ILE 35 1HG2 ILE 35 -12.293 0.864 0.993 253 2HG2 ILE 35 2HG2 ILE 35 -11.379 -0.654 0.691 254 3HG2 ILE 35 3HG2 ILE 35 -10.497 0.895 0.924 255 1HD1 ILE 35 1HG1 ILE 35 -9.049 -0.068 0.089 256 2HD1 ILE 35 2HG1 ILE 35 -9.924 -1.533 -0.476 257 3HD1 ILE 35 3HG1 ILE 35 -8.444 -0.982 -1.336 258 H THR 36 H THR 36 -11.611 -2.086 -0.900 259 HA THR 36 HA THR 36 -13.957 -3.508 -0.078 260 HB THR 36 HB THR 36 -12.017 -4.710 -0.922 261 HG1 THR 36 HG1 THR 36 -11.887 -6.120 0.941 262 1HG2 THR 36 1HG2 THR 36 -10.227 -3.140 0.005 263 2HG2 THR 36 2HG2 THR 36 -10.630 -3.768 1.641 264 3HG2 THR 36 3HG2 THR 36 -9.939 -4.870 0.400 265 H SER 37 H SER 37 -15.124 -3.236 1.643 266 HA SER 37 HA SER 37 -13.777 -2.184 4.073 267 1HB SER 37 2HB SER 37 -16.430 -1.640 4.444 268 2HB SER 37 1HB SER 37 -15.219 -0.489 3.916 269 HG SER 37 HG SER 37 -17.047 -0.539 2.519 270 H LYS 38 H LYS 38 -15.839 -4.547 2.641 271 HA LYS 38 HA LYS 38 -16.297 -5.765 5.296 272 1HB LYS 38 2HB LYS 38 -18.235 -6.703 4.534 273 2HB LYS 38 1HB LYS 38 -18.197 -5.221 3.599 274 1HG LYS 38 2HG LYS 38 -17.319 -6.385 1.681 275 2HG LYS 38 1HG LYS 38 -17.133 -7.860 2.608 276 1HD LYS 38 2HD LYS 38 -19.848 -6.716 2.579 277 2HD LYS 38 1HD LYS 38 -19.275 -7.335 1.044 278 1HE LYS 38 2HE LYS 38 -19.308 -8.879 3.635 279 2HE LYS 38 1HE LYS 38 -20.471 -9.061 2.338 280 1HZ LYS 38 1HZ LYS 38 -18.688 -9.724 0.898 281 2HZ LYS 38 2HZ LYS 38 -17.589 -9.552 2.124 282 3HZ LYS 38 3HZ LYS 38 -18.761 -10.717 2.220 283 H LYS 39 H LYS 39 -15.274 -6.493 1.997 284 HA LYS 39 HA LYS 39 -14.394 -9.137 2.630 285 1HB LYS 39 2HB LYS 39 -14.755 -7.666 0.315 286 2HB LYS 39 1HB LYS 39 -13.036 -8.000 0.363 287 1HG LYS 39 2HG LYS 39 -14.920 -10.223 0.966 288 2HG LYS 39 1HG LYS 39 -14.731 -9.725 -0.703 289 1HD LYS 39 2HD LYS 39 -12.339 -10.290 1.008 290 2HD LYS 39 1HD LYS 39 -13.191 -11.591 0.201 291 1HE LYS 39 2HE LYS 39 -12.339 -11.043 -1.810 292 2HE LYS 39 1HE LYS 39 -12.619 -9.333 -1.556 293 1HZ LYS 39 1HZ LYS 39 -10.650 -9.260 -0.210 294 2HZ LYS 39 2HZ LYS 39 -10.386 -10.877 -0.450 295 3HZ LYS 39 3HZ LYS 39 -10.292 -9.824 -1.725 296 H TRP 40 H TRP 40 -12.716 -9.821 3.679 297 HA TRP 40 HA TRP 40 -10.264 -8.209 3.675 298 1HB TRP 40 2HB TRP 40 -11.717 -8.963 6.184 299 2HB TRP 40 1HB TRP 40 -10.050 -8.426 6.139 300 HD1 TRP 40 HD1 TRP 40 -12.937 -6.929 7.303 301 HE1 TRP 40 HE1 TRP 40 -9.510 -6.661 3.572 302 HE3 TRP 40 HE3 TRP 40 -13.174 -4.395 6.824 303 HZ2 TRP 40 HZ2 TRP 40 -9.121 -4.444 2.509 304 HZ3 TRP 40 HZ3 TRP 40 -12.006 -2.526 5.034 305 HH2 TRP 40 HH2 TRP 40 -10.304 -2.422 3.186 306 H GLY 41 H GLY 41 -8.544 -9.420 3.425 307 1HA GLY 41 2HA GLY 41 -8.868 -12.345 3.893 308 2HA GLY 41 1HA GLY 41 -7.934 -11.669 2.575 309 H THR 42 H THR 42 -6.957 -13.531 4.441 310 HA THR 42 HA THR 42 -5.550 -12.419 6.596 311 HB THR 42 HB THR 42 -5.290 -14.886 4.936 312 HG1 THR 42 HG1 THR 42 -5.694 -15.636 7.115 313 1HG2 THR 42 1HG2 THR 42 -2.897 -14.194 5.501 314 2HG2 THR 42 2HG2 THR 42 -3.411 -14.093 7.221 315 3HG2 THR 42 3HG2 THR 42 -3.438 -15.674 6.366 316 H ARG 43 H ARG 43 -4.803 -12.545 3.185 317 HA ARG 43 HA ARG 43 -2.201 -11.243 3.665 318 1HB ARG 43 2HB ARG 43 -3.403 -12.751 1.440 319 2HB ARG 43 1HB ARG 43 -2.357 -11.422 0.985 320 1HG ARG 43 2HG ARG 43 -0.595 -12.363 2.465 321 2HG ARG 43 1HG ARG 43 -1.638 -13.736 2.778 322 1HD ARG 43 2HD ARG 43 -0.443 -12.921 0.135 323 2HD ARG 43 1HD ARG 43 -0.101 -14.376 1.050 324 HE ARG 43 HE ARG 43 -2.869 -14.385 0.564 325 1HH1 ARG 43 2HH1 ARG 43 0.121 -14.490 -1.361 326 2HH1 ARG 43 HH22 ARG 43 -0.611 -15.392 -2.669 327 1HH2 ARG 43 1HH1 ARG 43 -3.796 -15.544 -1.122 328 2HH2 ARG 43 2HH1 ARG 43 -2.855 -15.994 -2.526 329 H ASP 44 H ASP 44 -5.239 -10.266 3.604 330 HA ASP 44 HA ASP 44 -4.758 -7.880 1.904 331 1HB ASP 44 2HB ASP 44 -7.021 -9.495 2.341 332 2HB ASP 44 1HB ASP 44 -7.350 -7.951 3.102 333 H LEU 45 H LEU 45 -5.485 -5.805 2.743 334 HA LEU 45 HA LEU 45 -4.763 -5.591 5.592 335 1HB LEU 45 2HB LEU 45 -3.731 -4.265 3.565 336 2HB LEU 45 1HB LEU 45 -5.073 -3.194 3.915 337 HG LEU 45 HG LEU 45 -4.250 -3.034 6.235 338 1HD1 LEU 45 1HD1 LEU 45 -2.988 -5.105 6.379 339 2HD1 LEU 45 2HD1 LEU 45 -1.835 -4.495 5.142 340 3HD1 LEU 45 3HD1 LEU 45 -1.933 -3.697 6.750 341 1HD2 LEU 45 1HD2 LEU 45 -2.339 -2.125 4.071 342 2HD2 LEU 45 2HD2 LEU 45 -3.807 -1.257 4.639 343 3HD2 LEU 45 3HD2 LEU 45 -2.407 -1.474 5.745 344 H GLN 46 H GLN 46 -5.952 -4.325 7.044 345 HA GLN 46 HA GLN 46 -8.824 -4.542 6.523 346 1HB GLN 46 2HB GLN 46 -8.107 -5.359 8.647 347 2HB GLN 46 1HB GLN 46 -7.284 -3.855 9.005 348 1HG GLN 46 2HG GLN 46 -9.230 -2.744 9.490 349 2HG GLN 46 1HG GLN 46 -10.184 -3.717 8.388 350 1HE2 GLN 46 1HE2 GLN 46 -10.634 -5.929 8.954 351 2HE2 GLN 46 2HE2 GLN 46 -10.847 -6.367 10.635 352 H VAL 47 H VAL 47 -7.279 -2.628 5.038 353 HA VAL 47 HA VAL 47 -7.657 -0.014 6.089 354 HB VAL 47 HB VAL 47 -7.258 0.741 3.816 355 1HG1 VAL 47 1HG1 VAL 47 -5.340 0.178 5.213 356 2HG1 VAL 47 2HG1 VAL 47 -5.447 -1.533 4.669 357 3HG1 VAL 47 3HG1 VAL 47 -5.021 -0.240 3.494 358 1HG2 VAL 47 1HG2 VAL 47 -7.407 -2.194 3.076 359 2HG2 VAL 47 2HG2 VAL 47 -8.568 -0.911 2.589 360 3HG2 VAL 47 3HG2 VAL 47 -6.875 -0.867 1.986 361 H LYS 48 H LYS 48 -9.112 1.632 5.294 362 HA LYS 48 HA LYS 48 -11.789 0.459 4.813 363 1HB LYS 48 2HB LYS 48 -10.902 2.756 6.468 364 2HB LYS 48 1HB LYS 48 -12.513 2.772 5.778 365 1HG LYS 48 2HG LYS 48 -12.963 1.705 7.757 366 2HG LYS 48 1HG LYS 48 -12.573 0.315 6.764 367 1HD LYS 48 2HD LYS 48 -10.483 0.039 7.739 368 2HD LYS 48 1HD LYS 48 -10.401 1.706 8.271 369 1HE LYS 48 2HE LYS 48 -12.616 0.720 9.598 370 2HE LYS 48 1HE LYS 48 -11.488 -0.620 9.640 371 1HZ LYS 48 1HZ LYS 48 -9.844 0.856 10.542 372 2HZ LYS 48 2HZ LYS 48 -10.911 2.122 10.502 373 3HZ LYS 48 3HZ LYS 48 -11.191 0.835 11.505 374 HA PRO 49 HA PRO 49 -12.000 2.516 1.041 375 1HB PRO 49 2HB PRO 49 -14.716 2.924 0.806 376 2HB PRO 49 1HB PRO 49 -13.893 1.416 0.464 377 1HG PRO 49 2HG PRO 49 -15.585 2.120 2.745 378 2HG PRO 49 1HG PRO 49 -15.110 0.535 2.168 379 1HD PRO 49 2HD PRO 49 -14.068 1.929 4.414 380 2HD PRO 49 1HD PRO 49 -13.515 0.397 3.769 381 H GLY 50 H GLY 50 -11.519 4.490 0.417 382 1HA GLY 50 2HA GLY 50 -11.994 6.817 0.170 383 2HA GLY 50 1HA GLY 50 -12.955 6.772 1.634 384 H GLU 51 H GLU 51 -10.106 5.022 1.938 385 HA GLU 51 HA GLU 51 -8.895 7.244 3.470 386 1HB GLU 51 2HB GLU 51 -9.184 4.425 3.977 387 2HB GLU 51 1HB GLU 51 -7.508 4.922 4.088 388 1HG GLU 51 2HG GLU 51 -8.695 5.108 6.251 389 2HG GLU 51 1HG GLU 51 -8.085 6.651 5.686 390 H SER 52 H SER 52 -6.436 7.050 3.636 391 HA SER 52 HA SER 52 -5.361 6.525 0.917 392 1HB SER 52 2HB SER 52 -3.730 8.463 1.661 393 2HB SER 52 1HB SER 52 -5.247 8.796 0.851 394 HG SER 52 HG SER 52 -4.949 10.100 2.722 395 H LEU 53 H LEU 53 -3.665 5.262 0.796 396 HA LEU 53 HA LEU 53 -1.951 4.978 3.167 397 1HB LEU 53 2HB LEU 53 -3.669 3.239 3.311 398 2HB LEU 53 1HB LEU 53 -3.132 2.620 1.762 399 HG LEU 53 HG LEU 53 -0.988 2.066 2.710 400 1HD1 LEU 53 1HD1 LEU 53 -0.778 3.822 4.375 401 2HD1 LEU 53 2HD1 LEU 53 -2.113 3.085 5.328 402 3HD1 LEU 53 3HD1 LEU 53 -0.556 2.206 5.132 403 1HD2 LEU 53 1HD2 LEU 53 -3.306 0.953 4.305 404 2HD2 LEU 53 2HD2 LEU 53 -2.717 0.359 2.713 405 3HD2 LEU 53 3HD2 LEU 53 -1.676 0.206 4.172 406 H GLU 54 H GLU 54 0.059 3.781 2.683 407 HA GLU 54 HA GLU 54 1.151 4.859 0.226 408 1HB GLU 54 2HB GLU 54 2.209 3.743 2.694 409 2HB GLU 54 1HB GLU 54 3.121 3.282 1.271 410 1HG GLU 54 2HG GLU 54 4.153 5.268 1.512 411 2HG GLU 54 1HG GLU 54 2.688 5.953 0.839 412 H VAL 55 H VAL 55 1.538 3.908 -1.633 413 HA VAL 55 HA VAL 55 0.804 1.050 -1.827 414 HB VAL 55 HB VAL 55 0.613 3.351 -3.657 415 1HG1 VAL 55 1HG1 VAL 55 2.029 1.838 -4.942 416 2HG1 VAL 55 2HG1 VAL 55 0.877 0.494 -4.630 417 3HG1 VAL 55 3HG1 VAL 55 0.371 1.898 -5.633 418 1HG2 VAL 55 1HG2 VAL 55 -1.183 0.974 -3.100 419 2HG2 VAL 55 2HG2 VAL 55 -1.364 2.629 -2.422 420 3HG2 VAL 55 3HG2 VAL 55 -1.579 2.352 -4.185 421 H ILE 56 H ILE 56 2.231 -0.452 -2.246 422 HA ILE 56 HA ILE 56 4.998 0.425 -2.689 423 HB ILE 56 HB ILE 56 4.020 -2.327 -2.095 424 1HG1 ILE 56 2HG1 ILE 56 4.684 -0.082 -0.249 425 2HG1 ILE 56 1HG1 ILE 56 3.272 -1.119 -0.257 426 1HG2 ILE 56 1HG2 ILE 56 6.250 -2.288 -3.060 427 2HG2 ILE 56 2HG2 ILE 56 6.763 -1.072 -1.838 428 3HG2 ILE 56 3HG2 ILE 56 6.323 -2.737 -1.320 429 1HD1 ILE 56 1HG1 ILE 56 4.660 -3.052 0.416 430 2HD1 ILE 56 2HG1 ILE 56 6.109 -1.988 0.425 431 3HD1 ILE 56 3HG1 ILE 56 4.782 -1.710 1.606 432 H GLN 57 H GLN 57 5.346 -2.451 -3.760 433 HA GLN 57 HA GLN 57 5.014 -1.629 -6.566 434 1HB GLN 57 2HB GLN 57 6.641 -3.780 -5.264 435 2HB GLN 57 1HB GLN 57 6.430 -3.682 -7.000 436 1HG GLN 57 2HG GLN 57 7.269 -1.204 -5.614 437 2HG GLN 57 1HG GLN 57 8.457 -2.487 -5.731 438 1HE2 GLN 57 1HE2 GLN 57 6.992 0.122 -7.236 439 2HE2 GLN 57 2HE2 GLN 57 7.584 -0.103 -8.866 440 H THR 58 H THR 58 4.221 -3.088 -8.163 441 HA THR 58 HA THR 58 1.732 -4.244 -7.367 442 HB THR 58 HB THR 58 1.797 -5.018 -9.844 443 HG1 THR 58 HG1 THR 58 3.597 -3.964 -10.903 444 1HG2 THR 58 1HG2 THR 58 0.775 -2.789 -9.124 445 2HG2 THR 58 2HG2 THR 58 2.416 -2.070 -9.284 446 3HG2 THR 58 3HG2 THR 58 1.576 -2.725 -10.733 447 H THR 59 H THR 59 1.276 -6.122 -6.541 448 HA THR 59 HA THR 59 3.211 -8.029 -5.872 449 HB THR 59 HB THR 59 0.221 -8.017 -5.990 450 HG1 THR 59 HG1 THR 59 0.748 -8.258 -3.723 451 1HG2 THR 59 1HG2 THR 59 0.955 -10.403 -6.528 452 2HG2 THR 59 2HG2 THR 59 1.975 -10.344 -5.048 453 3HG2 THR 59 3HG2 THR 59 0.185 -10.238 -4.912 454 H ASP 60 H ASP 60 0.588 -8.722 -8.142 455 HA ASP 60 HA ASP 60 2.484 -10.415 -9.679 456 1HB ASP 60 2HB ASP 60 0.613 -11.692 -9.022 457 2HB ASP 60 1HB ASP 60 -0.499 -10.396 -9.416 458 H ASP 61 H ASP 61 -0.563 -9.236 -10.857 459 HA ASP 61 HA ASP 61 0.889 -7.584 -12.868 460 1HB ASP 61 2HB ASP 61 -1.589 -9.253 -13.099 461 2HB ASP 61 1HB ASP 61 -1.210 -7.986 -14.248 462 H THR 62 H THR 62 -2.313 -8.040 -11.388 463 HA THR 62 HA THR 62 -2.554 -5.083 -11.260 464 HB THR 62 HB THR 62 -5.026 -6.721 -11.317 465 HG1 THR 62 HG1 THR 62 -4.638 -6.975 -13.610 466 1HG2 THR 62 1HG2 THR 62 -5.008 -4.172 -11.484 467 2HG2 THR 62 2HG2 THR 62 -4.048 -4.352 -12.994 468 3HG2 THR 62 3HG2 THR 62 -5.731 -4.980 -12.919 469 H LYS 63 H LYS 63 -1.292 -5.526 -9.251 470 HA LYS 63 HA LYS 63 -3.159 -5.485 -7.045 471 1HB LYS 63 2HB LYS 63 -2.965 -7.858 -7.195 472 2HB LYS 63 1HB LYS 63 -1.217 -7.759 -7.257 473 1HG LYS 63 2HG LYS 63 -1.100 -6.993 -4.998 474 2HG LYS 63 1HG LYS 63 -2.835 -6.762 -4.924 475 1HD LYS 63 2HD LYS 63 -1.476 -9.429 -5.287 476 2HD LYS 63 1HD LYS 63 -2.090 -8.824 -3.762 477 1HE LYS 63 2HE LYS 63 -4.144 -9.547 -4.265 478 2HE LYS 63 1HE LYS 63 -4.140 -8.612 -5.746 479 1HZ LYS 63 1HZ LYS 63 -2.994 -10.408 -6.819 480 2HZ LYS 63 2HZ LYS 63 -2.998 -11.291 -5.419 481 3HZ LYS 63 3HZ LYS 63 -4.426 -10.938 -6.179 482 H VAL 64 H VAL 64 -2.536 -4.102 -5.576 483 HA VAL 64 HA VAL 64 0.335 -3.349 -5.573 484 HB VAL 64 HB VAL 64 -0.207 -1.094 -5.320 485 1HG1 VAL 64 1HG1 VAL 64 -0.387 -1.870 -7.625 486 2HG1 VAL 64 2HG1 VAL 64 -2.120 -2.265 -7.357 487 3HG1 VAL 64 3HG1 VAL 64 -1.569 -0.555 -7.303 488 1HG2 VAL 64 1HG2 VAL 64 -3.101 -1.916 -4.962 489 2HG2 VAL 64 2HG2 VAL 64 -2.002 -1.296 -3.681 490 3HG2 VAL 64 3HG2 VAL 64 -2.496 -0.224 -5.038 491 H LEU 65 H LEU 65 1.374 -3.521 -3.743 492 HA LEU 65 HA LEU 65 -0.165 -4.330 -1.391 493 1HB LEU 65 2HB LEU 65 1.539 -5.697 -1.203 494 2HB LEU 65 1HB LEU 65 2.471 -4.802 -2.387 495 HG LEU 65 HG LEU 65 2.890 -3.205 -0.378 496 1HD1 LEU 65 1HD1 LEU 65 1.391 -4.284 1.200 497 2HD1 LEU 65 2HD1 LEU 65 2.309 -5.820 1.030 498 3HD1 LEU 65 3HD1 LEU 65 3.091 -4.384 1.776 499 1HD2 LEU 65 1HD2 LEU 65 4.311 -5.857 -0.704 500 2HD2 LEU 65 2HD2 LEU 65 4.642 -4.344 -1.617 501 3HD2 LEU 65 3HD2 LEU 65 4.968 -4.418 0.150 502 H CYS 66 H CYS 66 -0.763 -3.070 0.173 503 HA CYS 66 HA CYS 66 0.220 -0.305 0.162 504 1HB CYS 66 2HB CYS 66 -1.894 -1.431 1.966 505 2HB CYS 66 1HB CYS 66 -1.612 0.248 1.552 506 HG CYS 66 HG CYS 66 -3.954 -0.620 0.140 507 H ARG 67 H ARG 67 0.880 0.740 2.135 508 HA ARG 67 HA ARG 67 2.072 -1.133 4.098 509 1HB ARG 67 2HB ARG 67 3.648 -0.031 2.236 510 2HB ARG 67 1HB ARG 67 3.651 1.265 3.415 511 1HG ARG 67 2HG ARG 67 4.202 -0.554 5.139 512 2HG ARG 67 1HG ARG 67 4.577 -1.568 3.760 513 1HD ARG 67 2HD ARG 67 6.552 -0.549 3.441 514 2HD ARG 67 1HD ARG 67 5.824 1.041 3.542 515 HE ARG 67 HE ARG 67 5.924 -0.043 6.163 516 1HH1 ARG 67 2HH1 ARG 67 8.153 1.133 3.650 517 2HH1 ARG 67 HH22 ARG 67 9.379 1.621 4.798 518 1HH2 ARG 67 1HH1 ARG 67 7.509 0.589 7.625 519 2HH2 ARG 67 2HH1 ARG 67 9.005 1.307 7.072 520 H ASN 68 H ASN 68 2.279 -0.388 6.173 521 HA ASN 68 HA ASN 68 0.816 2.149 6.716 522 1HB ASN 68 2HB ASN 68 1.083 -0.369 8.347 523 2HB ASN 68 1HB ASN 68 0.453 1.131 8.998 524 1HD2 ASN 68 1HD2 ASN 68 -1.629 1.352 9.014 525 2HD2 ASN 68 2HD2 ASN 68 -2.772 0.602 7.922 526 H GLU 69 H GLU 69 1.712 3.660 7.997 527 HA GLU 69 HA GLU 69 4.493 3.819 8.211 528 1HB GLU 69 2HB GLU 69 3.081 5.778 8.383 529 2HB GLU 69 1HB GLU 69 2.430 5.198 9.903 530 1HG GLU 69 2HG GLU 69 4.171 6.017 11.049 531 2HG GLU 69 1HG GLU 69 5.319 5.259 9.963 532 H GLU 70 H GLU 70 2.276 2.025 10.044 533 HA GLU 70 HA GLU 70 3.940 1.835 12.413 534 1HB GLU 70 2HB GLU 70 1.396 1.596 12.313 535 2HB GLU 70 1HB GLU 70 1.705 -0.031 11.743 536 1HG GLU 70 2HG GLU 70 1.392 -0.044 14.157 537 2HG GLU 70 1HG GLU 70 3.047 -0.466 13.768 538 H GLY 71 H GLY 71 4.197 0.669 9.365 539 1HA GLY 71 2HA GLY 71 5.899 -0.766 8.605 540 2HA GLY 71 1HA GLY 71 6.106 -1.384 10.231 541 H LYS 72 H LYS 72 2.892 -1.139 9.123 542 HA LYS 72 HA LYS 72 2.772 -4.073 8.911 543 1HB LYS 72 2HB LYS 72 1.292 -2.962 10.529 544 2HB LYS 72 1HB LYS 72 0.510 -2.126 9.203 545 1HG LYS 72 2HG LYS 72 0.105 -4.474 8.226 546 2HG LYS 72 1HG LYS 72 0.487 -5.058 9.833 547 1HD LYS 72 2HD LYS 72 -1.946 -4.753 9.487 548 2HD LYS 72 1HD LYS 72 -1.321 -3.752 10.782 549 1HE LYS 72 2HE LYS 72 -1.693 -1.814 9.644 550 2HE LYS 72 1HE LYS 72 -1.338 -2.537 8.089 551 1HZ LYS 72 1HZ LYS 72 -3.464 -3.618 8.161 552 2HZ LYS 72 2HZ LYS 72 -3.799 -2.934 9.631 553 3HZ LYS 72 3HZ LYS 72 -3.647 -1.977 8.289 554 H TYR 73 H TYR 73 2.624 -5.083 7.080 555 HA TYR 73 HA TYR 73 1.949 -3.480 4.656 556 1HB TYR 73 2HB TYR 73 3.602 -5.954 5.131 557 2HB TYR 73 1HB TYR 73 3.247 -5.316 3.538 558 HD1 TYR 73 HD1 TYR 73 4.640 -4.144 6.803 559 HD2 TYR 73 HD2 TYR 73 4.841 -3.974 2.543 560 HE1 TYR 73 HE1 TYR 73 6.667 -2.625 6.951 561 HE2 TYR 73 HE2 TYR 73 6.867 -2.458 2.705 562 HH TYR 73 HH TYR 73 8.227 -1.444 4.034 563 H GLY 74 H GLY 74 0.631 -4.375 3.066 564 1HA GLY 74 2HA GLY 74 -0.629 -6.965 3.491 565 2HA GLY 74 1HA GLY 74 -1.698 -5.601 3.747 566 H TYR 75 H TYR 75 -2.144 -7.524 1.795 567 HA TYR 75 HA TYR 75 -1.353 -6.237 -0.761 568 1HB TYR 75 2HB TYR 75 -2.448 -8.885 0.116 569 2HB TYR 75 1HB TYR 75 -2.529 -8.405 -1.567 570 HD1 TYR 75 HD1 TYR 75 -0.878 -10.599 0.241 571 HD2 TYR 75 HD2 TYR 75 0.032 -7.084 -2.003 572 HE1 TYR 75 HE1 TYR 75 1.492 -11.431 -0.116 573 HE2 TYR 75 HE2 TYR 75 2.398 -7.928 -2.353 574 HH TYR 75 HH TYR 75 3.794 -9.522 -1.958 575 H VAL 76 H VAL 76 -2.893 -5.760 -2.360 576 HA VAL 76 HA VAL 76 -5.712 -5.743 -1.533 577 HB VAL 76 HB VAL 76 -4.473 -3.242 -2.571 578 1HG1 VAL 76 1HG1 VAL 76 -6.887 -3.428 -2.855 579 2HG1 VAL 76 2HG1 VAL 76 -7.065 -3.788 -1.102 580 3HG1 VAL 76 3HG1 VAL 76 -6.484 -2.171 -1.633 581 1HG2 VAL 76 1HG2 VAL 76 -4.895 -3.982 0.337 582 2HG2 VAL 76 2HG2 VAL 76 -3.313 -3.746 -0.485 583 3HG2 VAL 76 3HG2 VAL 76 -4.432 -2.355 -0.272 584 H LEU 77 H LEU 77 -6.969 -6.420 -3.081 585 HA LEU 77 HA LEU 77 -5.837 -6.987 -5.665 586 1HB LEU 77 2HB LEU 77 -7.762 -8.133 -4.230 587 2HB LEU 77 1HB LEU 77 -8.739 -7.161 -5.312 588 HG LEU 77 HG LEU 77 -6.999 -9.475 -5.900 589 1HD1 LEU 77 1HD1 LEU 77 -9.373 -9.876 -5.573 590 2HD1 LEU 77 2HD1 LEU 77 -9.758 -8.657 -6.838 591 3HD1 LEU 77 3HD1 LEU 77 -8.912 -10.180 -7.284 592 1HD2 LEU 77 1HD2 LEU 77 -7.727 -7.352 -7.930 593 2HD2 LEU 77 2HD2 LEU 77 -6.075 -7.755 -7.346 594 3HD2 LEU 77 3HD2 LEU 77 -7.006 -8.955 -8.308 595 H ARG 78 H ARG 78 -6.183 -6.079 -7.615 596 HA ARG 78 HA ARG 78 -6.530 -3.291 -7.702 597 1HB ARG 78 2HB ARG 78 -6.537 -3.479 -10.076 598 2HB ARG 78 1HB ARG 78 -5.448 -4.710 -9.470 599 1HG ARG 78 2HG ARG 78 -6.711 -6.373 -10.296 600 2HG ARG 78 1HG ARG 78 -8.190 -5.656 -9.689 601 1HD ARG 78 2HD ARG 78 -7.228 -4.059 -11.850 602 2HD ARG 78 1HD ARG 78 -7.267 -5.733 -12.367 603 HE ARG 78 HE ARG 78 -9.612 -5.760 -12.152 604 1HH1 ARG 78 2HH1 ARG 78 -8.261 -2.718 -10.895 605 2HH1 ARG 78 HH22 ARG 78 -9.819 -1.930 -10.791 606 1HH2 ARG 78 1HH1 ARG 78 -11.606 -4.736 -12.013 607 2HH2 ARG 78 2HH1 ARG 78 -11.731 -3.091 -11.432 608 H SER 79 H SER 79 -8.806 -5.818 -7.512 609 HA SER 79 HA SER 79 -11.040 -4.862 -8.819 610 1HB SER 79 2HB SER 79 -11.172 -6.956 -7.712 611 2HB SER 79 1HB SER 79 -10.850 -6.222 -6.154 612 HG SER 79 HG SER 79 -13.081 -6.695 -6.455 613 H TYR 80 H TYR 80 -10.185 -4.150 -5.447 614 HA TYR 80 HA TYR 80 -11.787 -1.638 -5.665 615 1HB TYR 80 2HB TYR 80 -11.754 -1.972 -3.102 616 2HB TYR 80 1HB TYR 80 -12.794 -3.008 -4.059 617 HD1 TYR 80 HD1 TYR 80 -12.377 -5.373 -4.250 618 HD2 TYR 80 HD2 TYR 80 -9.697 -2.852 -2.086 619 HE1 TYR 80 HE1 TYR 80 -11.258 -7.414 -3.244 620 HE2 TYR 80 HE2 TYR 80 -8.586 -4.902 -1.089 621 HH TYR 80 HH TYR 80 -8.573 -7.056 -1.007 622 H LEU 81 H LEU 81 -9.930 -0.540 -6.541 623 HA LEU 81 HA LEU 81 -8.347 0.658 -4.469 624 1HB LEU 81 2HB LEU 81 -7.288 -1.662 -5.479 625 2HB LEU 81 1HB LEU 81 -6.450 -0.398 -6.358 626 HG LEU 81 HG LEU 81 -6.632 -0.401 -3.389 627 1HD1 LEU 81 1HD1 LEU 81 -5.667 -2.550 -3.983 628 2HD1 LEU 81 2HD1 LEU 81 -4.489 -1.727 -5.065 629 3HD1 LEU 81 3HD1 LEU 81 -4.413 -1.466 -3.288 630 1HD2 LEU 81 1HD2 LEU 81 -4.700 0.902 -5.320 631 2HD2 LEU 81 2HD2 LEU 81 -6.010 1.719 -4.397 632 3HD2 LEU 81 3HD2 LEU 81 -4.610 0.999 -3.527 633 H ALA 82 H ALA 82 -6.589 2.105 -5.573 634 HA ALA 82 HA ALA 82 -8.093 3.633 -7.578 635 1HB ALA 82 1HB ALA 82 -7.224 4.825 -5.621 636 2HB ALA 82 2HB ALA 82 -5.559 4.293 -6.042 637 3HB ALA 82 3HB ALA 82 -6.444 5.420 -7.128 638 H ASP 83 H ASP 83 -6.642 4.760 -9.261 639 HA ASP 83 HA ASP 83 -5.786 2.826 -11.108 640 1HB ASP 83 2HB ASP 83 -4.595 5.565 -11.008 641 2HB ASP 83 1HB ASP 83 -4.957 4.583 -12.413 Start of MODEL 8 1 H GLU 7 H1 GLU 7 7.304 -4.993 16.077 2 HA GLU 7 HA GLU 7 8.513 -4.186 14.257 3 1HB GLU 7 2HB GLU 7 10.548 -3.784 15.887 4 2HB GLU 7 1HB GLU 7 11.026 -5.360 15.288 5 1HG GLU 7 2HG GLU 7 11.548 -4.556 13.246 6 2HG GLU 7 1HG GLU 7 10.140 -3.514 13.196 7 H LYS 8 H LYS 8 7.753 -6.815 15.975 8 HA LYS 8 HA LYS 8 8.802 -8.814 14.134 9 1HB LYS 8 2HB LYS 8 7.088 -8.973 16.575 10 2HB LYS 8 1HB LYS 8 7.385 -10.367 15.556 11 1HG LYS 8 2HG LYS 8 9.763 -10.200 15.926 12 2HG LYS 8 1HG LYS 8 9.562 -8.692 16.795 13 1HD LYS 8 2HD LYS 8 7.896 -10.660 18.007 14 2HD LYS 8 1HD LYS 8 9.507 -11.328 17.834 15 1HE LYS 8 2HE LYS 8 9.568 -8.582 18.773 16 2HE LYS 8 1HE LYS 8 8.652 -9.620 19.846 17 1HZ LYS 8 1HZ LYS 8 10.518 -11.105 19.924 18 2HZ LYS 8 2HZ LYS 8 11.384 -10.124 18.909 19 3HZ LYS 8 3HZ LYS 8 10.966 -9.590 20.420 20 H GLU 9 H GLU 9 6.258 -6.663 14.241 21 HA GLU 9 HA GLU 9 4.195 -8.166 13.015 22 1HB GLU 9 2HB GLU 9 4.783 -5.308 13.382 23 2HB GLU 9 1HB GLU 9 3.688 -5.713 12.076 24 1HG GLU 9 2HG GLU 9 3.297 -6.890 14.800 25 2HG GLU 9 1HG GLU 9 2.709 -5.279 14.439 26 H GLU 10 H GLU 10 7.117 -6.805 11.819 27 HA GLU 10 HA GLU 10 6.397 -6.726 9.057 28 1HB GLU 10 2HB GLU 10 8.280 -5.455 9.742 29 2HB GLU 10 1HB GLU 10 9.063 -6.868 10.421 30 1HG GLU 10 2HG GLU 10 9.124 -7.844 8.112 31 2HG GLU 10 1HG GLU 10 8.542 -6.305 7.508 32 H LYS 11 H LYS 11 7.541 -9.202 11.205 33 HA LYS 11 HA LYS 11 8.261 -11.075 9.172 34 1HB LYS 11 2HB LYS 11 8.100 -11.045 12.057 35 2HB LYS 11 1HB LYS 11 7.621 -12.586 11.376 36 1HG LYS 11 2HG LYS 11 9.864 -12.968 11.438 37 2HG LYS 11 1HG LYS 11 9.814 -12.125 9.903 38 1HD LYS 11 2HD LYS 11 10.049 -10.009 11.507 39 2HD LYS 11 1HD LYS 11 10.821 -11.200 12.534 40 1HE LYS 11 2HE LYS 11 11.735 -11.404 9.792 41 2HE LYS 11 1HE LYS 11 12.015 -9.803 10.449 42 1HZ LYS 11 1HZ LYS 11 13.113 -10.812 12.312 43 2HZ LYS 11 2HZ LYS 11 12.849 -12.325 11.691 44 3HZ LYS 11 3HZ LYS 11 13.844 -11.266 10.897 45 H ASP 12 H ASP 12 5.301 -10.159 10.716 46 HA ASP 12 HA ASP 12 3.694 -12.379 10.016 47 1HB ASP 12 2HB ASP 12 3.009 -10.498 11.504 48 2HB ASP 12 1HB ASP 12 2.848 -9.497 10.075 49 H PHE 13 H PHE 13 4.619 -9.456 8.285 50 HA PHE 13 HA PHE 13 3.015 -10.112 5.939 51 1HB PHE 13 2HB PHE 13 3.239 -7.853 6.103 52 2HB PHE 13 1HB PHE 13 4.793 -7.968 6.906 53 HD1 PHE 13 HD1 PHE 13 3.089 -7.545 3.762 54 HD2 PHE 13 HD2 PHE 13 6.843 -8.304 5.566 55 HE1 PHE 13 HE1 PHE 13 4.241 -6.933 1.623 56 HE2 PHE 13 HE2 PHE 13 7.995 -7.692 3.427 57 HZ PHE 13 HZ PHE 13 6.679 -7.015 1.481 58 H ARG 14 H ARG 14 6.471 -9.881 6.729 59 HA ARG 14 HA ARG 14 7.462 -10.753 4.242 60 1HB ARG 14 2HB ARG 14 9.121 -9.884 5.583 61 2HB ARG 14 1HB ARG 14 8.552 -10.725 7.010 62 1HG ARG 14 2HG ARG 14 9.610 -12.696 6.437 63 2HG ARG 14 1HG ARG 14 9.593 -12.328 4.724 64 1HD ARG 14 2HD ARG 14 11.258 -10.478 5.244 65 2HD ARG 14 1HD ARG 14 11.413 -11.194 6.836 66 HE ARG 14 HE ARG 14 11.837 -13.352 5.238 67 1HH1 ARG 14 2HH1 ARG 14 13.210 -10.071 5.173 68 2HH1 ARG 14 HH22 ARG 14 14.728 -10.589 4.474 69 1HH2 ARG 14 1HH1 ARG 14 13.791 -14.005 4.341 70 2HH2 ARG 14 2HH1 ARG 14 15.055 -12.844 3.999 71 H LYS 15 H LYS 15 6.362 -12.513 7.066 72 HA LYS 15 HA LYS 15 7.281 -15.061 6.427 73 1HB LYS 15 2HB LYS 15 5.379 -15.903 7.762 74 2HB LYS 15 1HB LYS 15 6.283 -14.626 8.551 75 1HG LYS 15 2HG LYS 15 4.228 -13.735 8.892 76 2HG LYS 15 1HG LYS 15 4.421 -13.165 7.247 77 1HD LYS 15 2HD LYS 15 2.369 -14.184 7.072 78 2HD LYS 15 1HD LYS 15 3.410 -15.534 6.667 79 1HE LYS 15 2HE LYS 15 2.874 -15.189 9.540 80 2HE LYS 15 1HE LYS 15 1.482 -15.630 8.572 81 1HZ LYS 15 1HZ LYS 15 2.724 -17.479 7.716 82 2HZ LYS 15 2HZ LYS 15 4.040 -17.062 8.631 83 3HZ LYS 15 3HZ LYS 15 2.641 -17.555 9.368 84 H LYS 16 H LYS 16 4.136 -13.654 5.587 85 HA LYS 16 HA LYS 16 3.686 -15.776 3.647 86 1HB LYS 16 2HB LYS 16 1.937 -14.616 5.158 87 2HB LYS 16 1HB LYS 16 1.927 -13.392 3.904 88 1HG LYS 16 2HG LYS 16 0.188 -14.979 3.411 89 2HG LYS 16 1HG LYS 16 1.471 -15.198 2.237 90 1HD LYS 16 2HD LYS 16 2.160 -17.209 3.168 91 2HD LYS 16 1HD LYS 16 1.473 -16.834 4.735 92 1HE LYS 16 2HE LYS 16 -0.241 -18.159 4.135 93 2HE LYS 16 1HE LYS 16 -0.732 -16.850 3.079 94 1HZ LYS 16 1HZ LYS 16 0.572 -17.830 1.338 95 2HZ LYS 16 2HZ LYS 16 1.036 -19.067 2.336 96 3HZ LYS 16 3HZ LYS 16 -0.553 -18.911 1.895 97 H PHE 17 H PHE 17 4.625 -12.424 3.727 98 HA PHE 17 HA PHE 17 4.602 -12.185 0.804 99 1HB PHE 17 2HB PHE 17 5.380 -10.429 3.114 100 2HB PHE 17 1HB PHE 17 5.628 -9.942 1.450 101 HD1 PHE 17 HD1 PHE 17 2.869 -11.387 3.487 102 HD2 PHE 17 HD2 PHE 17 4.049 -8.521 0.603 103 HE1 PHE 17 HE1 PHE 17 0.522 -10.519 3.389 104 HE2 PHE 17 HE2 PHE 17 1.701 -7.654 0.505 105 HZ PHE 17 HZ PHE 17 -0.033 -8.661 1.902 106 H LYS 18 H LYS 18 6.304 -14.210 2.101 107 HA LYS 18 HA LYS 18 8.926 -13.678 2.439 108 1HB LYS 18 2HB LYS 18 7.460 -15.931 1.707 109 2HB LYS 18 1HB LYS 18 8.785 -15.833 0.565 110 1HG LYS 18 2HG LYS 18 9.115 -15.676 3.556 111 2HG LYS 18 1HG LYS 18 9.332 -17.140 2.618 112 1HD LYS 18 2HD LYS 18 10.870 -14.610 2.079 113 2HD LYS 18 1HD LYS 18 11.450 -15.867 3.153 114 1HE LYS 18 2HE LYS 18 12.018 -17.230 1.444 115 2HE LYS 18 1HE LYS 18 10.569 -16.847 0.536 116 1HZ LYS 18 1HZ LYS 18 11.583 -14.788 -0.118 117 2HZ LYS 18 2HZ LYS 18 12.951 -15.151 0.741 118 3HZ LYS 18 3HZ LYS 18 12.530 -16.068 -0.573 119 H TYR 19 H TYR 19 7.322 -12.152 0.230 120 HA TYR 19 HA TYR 19 8.834 -12.307 -2.170 121 1HB TYR 19 2HB TYR 19 6.917 -11.116 -2.456 122 2HB TYR 19 1HB TYR 19 6.945 -10.502 -0.816 123 HD1 TYR 19 HD1 TYR 19 9.103 -10.149 -3.851 124 HD2 TYR 19 HD2 TYR 19 7.010 -8.203 -0.681 125 HE1 TYR 19 HE1 TYR 19 9.893 -7.895 -4.703 126 HE2 TYR 19 HE2 TYR 19 7.808 -5.956 -1.543 127 HH TYR 19 HH TYR 19 8.963 -4.937 -3.050 128 H ASP 20 H ASP 20 10.877 -11.823 -2.543 129 HA ASP 20 HA ASP 20 12.279 -9.999 -0.674 130 1HB ASP 20 2HB ASP 20 13.154 -12.107 -2.591 131 2HB ASP 20 1HB ASP 20 14.269 -10.835 -2.132 132 H GLY 21 H GLY 21 11.756 -7.982 -1.340 133 1HA GLY 21 2HA GLY 21 12.885 -7.171 -3.935 134 2HA GLY 21 1HA GLY 21 11.184 -6.844 -3.670 135 H GLU 22 H GLU 22 12.080 -4.626 -4.086 136 HA GLU 22 HA GLU 22 13.257 -3.473 -1.631 137 1HB GLU 22 2HB GLU 22 13.989 -3.088 -4.218 138 2HB GLU 22 1HB GLU 22 12.944 -1.709 -3.936 139 1HG GLU 22 2HG GLU 22 15.079 -2.431 -1.963 140 2HG GLU 22 1HG GLU 22 15.465 -1.486 -3.388 141 H ILE 23 H ILE 23 11.520 -3.374 -0.301 142 HA ILE 23 HA ILE 23 9.021 -2.258 -1.157 143 HB ILE 23 HB ILE 23 10.106 -3.425 1.224 144 1HG1 ILE 23 2HG1 ILE 23 7.241 -3.128 0.413 145 2HG1 ILE 23 1HG1 ILE 23 8.320 -4.321 -0.281 146 1HG2 ILE 23 1HG2 ILE 23 9.902 -1.200 2.179 147 2HG2 ILE 23 2HG2 ILE 23 8.203 -1.101 1.598 148 3HG2 ILE 23 3HG2 ILE 23 8.653 -2.297 2.863 149 1HD1 ILE 23 1HG1 ILE 23 8.736 -5.281 1.959 150 2HD1 ILE 23 2HG1 ILE 23 7.629 -4.056 2.671 151 3HD1 ILE 23 3HG1 ILE 23 6.986 -5.305 1.549 152 H ARG 24 H ARG 24 8.818 -0.290 -1.845 153 HA ARG 24 HA ARG 24 9.646 1.898 -0.093 154 1HB ARG 24 2HB ARG 24 11.602 1.378 -1.653 155 2HB ARG 24 1HB ARG 24 10.576 1.978 -2.940 156 1HG ARG 24 2HG ARG 24 10.775 3.703 -0.558 157 2HG ARG 24 1HG ARG 24 12.240 3.548 -1.506 158 1HD ARG 24 2HD ARG 24 10.160 3.918 -3.360 159 2HD ARG 24 1HD ARG 24 9.874 5.079 -2.080 160 HE ARG 24 HE ARG 24 12.649 4.967 -2.999 161 1HH1 ARG 24 2HH1 ARG 24 9.470 6.496 -3.452 162 2HH1 ARG 24 HH22 ARG 24 10.131 7.921 -4.224 163 1HH2 ARG 24 1HH1 ARG 24 13.485 6.800 -3.991 164 2HH2 ARG 24 2HH1 ARG 24 12.432 8.089 -4.530 165 H VAL 25 H VAL 25 8.227 3.485 -0.109 166 HA VAL 25 HA VAL 25 5.912 3.248 -1.812 167 HB VAL 25 HB VAL 25 5.667 3.950 0.463 168 1HG1 VAL 25 1HG1 VAL 25 7.825 5.036 0.802 169 2HG1 VAL 25 2HG1 VAL 25 7.325 6.371 -0.295 170 3HG1 VAL 25 3HG1 VAL 25 6.480 6.132 1.274 171 1HG2 VAL 25 1HG2 VAL 25 4.997 6.194 -1.461 172 2HG2 VAL 25 2HG2 VAL 25 3.989 4.745 -1.120 173 3HG2 VAL 25 3HG2 VAL 25 4.275 5.964 0.170 174 H LEU 26 H LEU 26 6.338 3.523 -3.899 175 HA LEU 26 HA LEU 26 7.848 5.910 -4.705 176 1HB LEU 26 2HB LEU 26 8.064 3.468 -5.627 177 2HB LEU 26 1HB LEU 26 6.775 4.008 -6.683 178 HG LEU 26 HG LEU 26 9.599 4.863 -6.554 179 1HD1 LEU 26 1HD1 LEU 26 8.985 3.163 -8.178 180 2HD1 LEU 26 2HD1 LEU 26 7.716 4.249 -8.843 181 3HD1 LEU 26 3HD1 LEU 26 9.452 4.688 -9.007 182 1HD2 LEU 26 1HD2 LEU 26 7.364 6.586 -7.647 183 2HD2 LEU 26 2HD2 LEU 26 8.414 6.959 -6.236 184 3HD2 LEU 26 3HD2 LEU 26 9.122 6.879 -7.887 185 H TYR 27 H TYR 27 4.719 4.367 -5.250 186 HA TYR 27 HA TYR 27 3.604 7.065 -5.875 187 1HB TYR 27 2HB TYR 27 2.277 6.018 -7.591 188 2HB TYR 27 1HB TYR 27 3.954 5.591 -7.860 189 HD1 TYR 27 HD1 TYR 27 4.757 3.305 -7.060 190 HD2 TYR 27 HD2 TYR 27 0.633 4.358 -7.374 191 HE1 TYR 27 HE1 TYR 27 4.123 0.849 -7.066 192 HE2 TYR 27 HE2 TYR 27 0.013 1.899 -7.379 193 HH TYR 27 HH TYR 27 0.754 -0.123 -7.292 194 H SER 28 H SER 28 2.906 7.219 -3.695 195 HA SER 28 HA SER 28 1.239 5.198 -2.516 196 1HB SER 28 2HB SER 28 0.718 6.950 -0.837 197 2HB SER 28 1HB SER 28 2.433 6.671 -1.062 198 HG SER 28 HG SER 28 1.911 8.911 -1.000 199 H THR 29 H THR 29 -0.640 4.640 -3.291 200 HA THR 29 HA THR 29 -2.300 6.662 -4.628 201 HB THR 29 HB THR 29 -1.753 4.211 -5.447 202 HG1 THR 29 HG1 THR 29 -3.831 4.434 -6.500 203 1HG2 THR 29 1HG2 THR 29 -2.791 3.103 -3.393 204 2HG2 THR 29 2HG2 THR 29 -4.344 3.888 -3.846 205 3HG2 THR 29 3HG2 THR 29 -3.605 2.662 -4.934 206 H LYS 30 H LYS 30 -4.600 6.780 -4.192 207 HA LYS 30 HA LYS 30 -5.041 6.643 -1.276 208 1HB LYS 30 2HB LYS 30 -5.268 8.857 -2.106 209 2HB LYS 30 1HB LYS 30 -6.345 8.327 -3.383 210 1HG LYS 30 2HG LYS 30 -7.388 7.473 -0.859 211 2HG LYS 30 1HG LYS 30 -7.040 9.189 -0.788 212 1HD LYS 30 2HD LYS 30 -8.247 9.210 -3.124 213 2HD LYS 30 1HD LYS 30 -8.962 7.724 -2.532 214 1HE LYS 30 2HE LYS 30 -9.117 9.599 -0.427 215 2HE LYS 30 1HE LYS 30 -9.652 10.422 -1.878 216 1HZ LYS 30 1HZ LYS 30 -11.179 8.632 -2.271 217 2HZ LYS 30 2HZ LYS 30 -10.674 7.855 -0.899 218 3HZ LYS 30 3HZ LYS 30 -11.455 9.310 -0.786 219 H VAL 31 H VAL 31 -6.653 5.545 -0.356 220 HA VAL 31 HA VAL 31 -7.743 3.371 -1.883 221 HB VAL 31 HB VAL 31 -8.765 4.128 0.792 222 1HG1 VAL 31 1HG1 VAL 31 -9.712 2.152 -0.280 223 2HG1 VAL 31 2HG1 VAL 31 -8.060 1.473 -0.486 224 3HG1 VAL 31 3HG1 VAL 31 -8.742 1.692 1.163 225 1HG2 VAL 31 1HG2 VAL 31 -6.032 2.929 0.270 226 2HG2 VAL 31 2HG2 VAL 31 -6.369 4.552 0.967 227 3HG2 VAL 31 3HG2 VAL 31 -6.822 3.070 1.879 228 H THR 32 H THR 32 -9.395 3.375 -3.173 229 HA THR 32 HA THR 32 -11.149 5.666 -3.301 230 HB THR 32 HB THR 32 -10.745 3.162 -4.873 231 HG1 THR 32 HG1 THR 32 -10.583 4.906 -6.424 232 1HG2 THR 32 1HG2 THR 32 -13.277 3.434 -4.668 233 2HG2 THR 32 2HG2 THR 32 -13.067 5.124 -5.246 234 3HG2 THR 32 3HG2 THR 32 -12.654 3.746 -6.326 235 H THR 33 H THR 33 -13.100 5.980 -2.508 236 HA THR 33 HA THR 33 -14.071 4.659 -0.318 237 HB THR 33 HB THR 33 -14.896 6.837 -1.298 238 HG1 THR 33 HG1 THR 33 -17.021 6.307 -0.477 239 1HG2 THR 33 1HG2 THR 33 -15.446 5.928 -3.620 240 2HG2 THR 33 2HG2 THR 33 -16.721 4.925 -2.845 241 3HG2 THR 33 3HG2 THR 33 -16.843 6.719 -2.810 242 H SER 34 H SER 34 -14.035 3.547 -3.538 243 HA SER 34 HA SER 34 -16.080 1.502 -3.045 244 1HB SER 34 2HB SER 34 -15.099 2.780 -5.341 245 2HB SER 34 1HB SER 34 -14.644 1.093 -5.477 246 HG SER 34 HG SER 34 -16.729 1.513 -6.355 247 H ILE 35 H ILE 35 -13.265 1.814 -1.804 248 HA ILE 35 HA ILE 35 -11.883 -0.562 -2.637 249 HB ILE 35 HB ILE 35 -11.218 1.656 -1.225 250 1HG1 ILE 35 2HG1 ILE 35 -9.943 -0.419 -2.491 251 2HG1 ILE 35 1HG1 ILE 35 -9.185 1.013 -1.824 252 1HG2 ILE 35 1HG2 ILE 35 -12.179 0.812 0.840 253 2HG2 ILE 35 2HG2 ILE 35 -11.190 -0.682 0.695 254 3HG2 ILE 35 3HG2 ILE 35 -10.388 0.903 0.969 255 1HD1 ILE 35 1HG1 ILE 35 -8.860 -0.139 0.340 256 2HD1 ILE 35 2HG1 ILE 35 -9.638 -1.608 -0.344 257 3HD1 ILE 35 3HG1 ILE 35 -8.068 -1.032 -1.005 258 H THR 36 H THR 36 -11.246 -2.201 -0.869 259 HA THR 36 HA THR 36 -13.671 -3.588 -0.210 260 HB THR 36 HB THR 36 -11.730 -4.869 -0.853 261 HG1 THR 36 HG1 THR 36 -11.664 -6.150 1.104 262 1HG2 THR 36 1HG2 THR 36 -9.961 -3.246 0.019 263 2HG2 THR 36 2HG2 THR 36 -10.416 -3.759 1.681 264 3HG2 THR 36 3HG2 THR 36 -9.694 -4.946 0.540 265 H SER 37 H SER 37 -14.957 -3.298 1.421 266 HA SER 37 HA SER 37 -13.793 -2.168 3.910 267 1HB SER 37 2HB SER 37 -15.266 -0.517 3.775 268 2HB SER 37 1HB SER 37 -15.959 -1.216 2.325 269 HG SER 37 HG SER 37 -17.501 -1.009 4.021 270 H LYS 38 H LYS 38 -15.782 -4.552 2.399 271 HA LYS 38 HA LYS 38 -16.403 -5.710 5.048 272 1HB LYS 38 2HB LYS 38 -18.313 -6.633 4.203 273 2HB LYS 38 1HB LYS 38 -18.202 -5.171 3.244 274 1HG LYS 38 2HG LYS 38 -17.210 -6.399 1.407 275 2HG LYS 38 1HG LYS 38 -17.161 -7.861 2.371 276 1HD LYS 38 2HD LYS 38 -19.201 -8.376 1.621 277 2HD LYS 38 1HD LYS 38 -19.825 -6.961 2.445 278 1HE LYS 38 2HE LYS 38 -20.472 -6.404 0.330 279 2HE LYS 38 1HE LYS 38 -18.839 -5.773 0.256 280 1HZ LYS 38 1HZ LYS 38 -18.137 -7.838 -0.712 281 2HZ LYS 38 2HZ LYS 38 -19.680 -8.434 -0.642 282 3HZ LYS 38 3HZ LYS 38 -19.333 -7.149 -1.627 283 H LYS 39 H LYS 39 -15.219 -6.513 1.823 284 HA LYS 39 HA LYS 39 -14.415 -9.157 2.544 285 1HB LYS 39 2HB LYS 39 -14.623 -7.721 0.191 286 2HB LYS 39 1HB LYS 39 -12.914 -8.074 0.342 287 1HG LYS 39 2HG LYS 39 -14.937 -10.229 0.801 288 2HG LYS 39 1HG LYS 39 -14.461 -9.802 -0.831 289 1HD LYS 39 2HD LYS 39 -12.380 -10.374 1.240 290 2HD LYS 39 1HD LYS 39 -13.176 -11.693 0.405 291 1HE LYS 39 2HE LYS 39 -12.143 -11.242 -1.572 292 2HE LYS 39 1HE LYS 39 -12.155 -9.511 -1.301 293 1HZ LYS 39 1HZ LYS 39 -10.369 -9.791 0.256 294 2HZ LYS 39 2HZ LYS 39 -10.358 -11.427 0.000 295 3HZ LYS 39 3HZ LYS 39 -9.942 -10.394 -1.226 296 H TRP 40 H TRP 40 -12.793 -9.866 3.667 297 HA TRP 40 HA TRP 40 -10.330 -8.277 3.794 298 1HB TRP 40 2HB TRP 40 -11.927 -9.006 6.221 299 2HB TRP 40 1HB TRP 40 -10.253 -8.491 6.268 300 HD1 TRP 40 HD1 TRP 40 -13.164 -6.948 7.285 301 HE1 TRP 40 HE1 TRP 40 -9.571 -6.747 3.707 302 HE3 TRP 40 HE3 TRP 40 -13.348 -4.416 6.781 303 HZ2 TRP 40 HZ2 TRP 40 -9.106 -4.541 2.652 304 HZ3 TRP 40 HZ3 TRP 40 -12.077 -2.572 5.036 305 HH2 TRP 40 HH2 TRP 40 -10.292 -2.501 3.264 306 H GLY 41 H GLY 41 -8.608 -9.506 3.648 307 1HA GLY 41 2HA GLY 41 -8.984 -12.423 4.120 308 2HA GLY 41 1HA GLY 41 -7.989 -11.770 2.834 309 H THR 42 H THR 42 -7.093 -13.620 4.738 310 HA THR 42 HA THR 42 -5.773 -12.498 6.947 311 HB THR 42 HB THR 42 -6.022 -14.891 6.758 312 HG1 THR 42 HG1 THR 42 -3.751 -15.364 7.064 313 1HG2 THR 42 1HG2 THR 42 -5.822 -15.042 4.216 314 2HG2 THR 42 2HG2 THR 42 -4.068 -14.696 4.407 315 3HG2 THR 42 3HG2 THR 42 -4.766 -16.207 5.088 316 H ARG 43 H ARG 43 -4.884 -12.672 3.572 317 HA ARG 43 HA ARG 43 -2.300 -11.369 4.148 318 1HB ARG 43 2HB ARG 43 -3.337 -13.032 1.995 319 2HB ARG 43 1HB ARG 43 -2.462 -11.627 1.421 320 1HG ARG 43 2HG ARG 43 -0.669 -12.326 3.156 321 2HG ARG 43 1HG ARG 43 -1.478 -13.880 3.131 322 1HD ARG 43 2HD ARG 43 -0.549 -12.520 0.614 323 2HD ARG 43 1HD ARG 43 0.485 -13.601 1.528 324 HE ARG 43 HE ARG 43 -1.785 -15.097 1.206 325 1HH1 ARG 43 2HH1 ARG 43 0.269 -13.309 -1.084 326 2HH1 ARG 43 HH22 ARG 43 -0.084 -14.379 -2.422 327 1HH2 ARG 43 1HH1 ARG 43 -2.230 -16.464 -0.522 328 2HH2 ARG 43 2HH1 ARG 43 -1.516 -16.184 -2.094 329 H ASP 44 H ASP 44 -5.310 -10.373 3.957 330 HA ASP 44 HA ASP 44 -4.763 -8.043 2.199 331 1HB ASP 44 2HB ASP 44 -7.025 -9.632 2.528 332 2HB ASP 44 1HB ASP 44 -7.395 -8.140 3.368 333 H LEU 45 H LEU 45 -5.529 -5.942 2.957 334 HA LEU 45 HA LEU 45 -4.871 -5.642 5.814 335 1HB LEU 45 2HB LEU 45 -3.864 -4.348 3.707 336 2HB LEU 45 1HB LEU 45 -5.161 -3.256 4.150 337 HG LEU 45 HG LEU 45 -4.233 -3.062 6.377 338 1HD1 LEU 45 1HD1 LEU 45 -3.197 -5.247 6.610 339 2HD1 LEU 45 2HD1 LEU 45 -1.991 -4.815 5.348 340 3HD1 LEU 45 3HD1 LEU 45 -1.997 -3.944 6.921 341 1HD2 LEU 45 1HD2 LEU 45 -2.248 -2.453 4.177 342 2HD2 LEU 45 2HD2 LEU 45 -3.613 -1.411 4.707 343 3HD2 LEU 45 3HD2 LEU 45 -2.238 -1.728 5.822 344 H GLN 46 H GLN 46 -6.102 -4.376 7.214 345 HA GLN 46 HA GLN 46 -8.959 -4.589 6.614 346 1HB GLN 46 2HB GLN 46 -8.340 -5.399 8.760 347 2HB GLN 46 1HB GLN 46 -7.470 -3.925 9.131 348 1HG GLN 46 2HG GLN 46 -9.382 -2.744 9.576 349 2HG GLN 46 1HG GLN 46 -10.347 -3.677 8.450 350 1HE2 GLN 46 1HE2 GLN 46 -10.711 -5.974 9.011 351 2HE2 GLN 46 2HE2 GLN 46 -11.046 -6.368 10.682 352 H VAL 47 H VAL 47 -7.356 -2.686 5.171 353 HA VAL 47 HA VAL 47 -7.762 -0.067 6.201 354 HB VAL 47 HB VAL 47 -7.201 0.702 4.007 355 1HG1 VAL 47 1HG1 VAL 47 -5.360 -0.091 5.397 356 2HG1 VAL 47 2HG1 VAL 47 -5.594 -1.755 4.756 357 3HG1 VAL 47 3HG1 VAL 47 -5.044 -0.439 3.661 358 1HG2 VAL 47 1HG2 VAL 47 -7.569 -2.167 3.102 359 2HG2 VAL 47 2HG2 VAL 47 -8.616 -0.770 2.671 360 3HG2 VAL 47 3HG2 VAL 47 -6.914 -0.829 2.096 361 H LYS 48 H LYS 48 -9.182 1.580 5.343 362 HA LYS 48 HA LYS 48 -11.836 0.413 4.735 363 1HB LYS 48 2HB LYS 48 -11.004 2.530 6.589 364 2HB LYS 48 1HB LYS 48 -12.487 2.821 5.702 365 1HG LYS 48 2HG LYS 48 -13.127 1.719 7.704 366 2HG LYS 48 1HG LYS 48 -13.231 0.515 6.436 367 1HD LYS 48 2HD LYS 48 -11.768 -0.788 7.505 368 2HD LYS 48 1HD LYS 48 -10.586 0.505 7.520 369 1HE LYS 48 2HE LYS 48 -11.007 -0.147 9.798 370 2HE LYS 48 1HE LYS 48 -11.724 1.431 9.545 371 1HZ LYS 48 1HZ LYS 48 -13.834 0.367 9.222 372 2HZ LYS 48 2HZ LYS 48 -13.157 -1.125 9.462 373 3HZ LYS 48 3HZ LYS 48 -13.209 -0.030 10.703 374 HA PRO 49 HA PRO 49 -11.883 2.564 1.011 375 1HB PRO 49 2HB PRO 49 -14.586 2.980 0.667 376 2HB PRO 49 1HB PRO 49 -13.749 1.480 0.324 377 1HG PRO 49 2HG PRO 49 -15.540 2.131 2.545 378 2HG PRO 49 1HG PRO 49 -15.041 0.560 1.951 379 1HD PRO 49 2HD PRO 49 -14.097 1.898 4.274 380 2HD PRO 49 1HD PRO 49 -13.517 0.381 3.617 381 H GLY 50 H GLY 50 -11.407 4.554 0.426 382 1HA GLY 50 2HA GLY 50 -11.895 6.886 0.223 383 2HA GLY 50 1HA GLY 50 -12.866 6.803 1.678 384 H GLU 51 H GLU 51 -10.003 5.061 1.940 385 HA GLU 51 HA GLU 51 -8.808 7.252 3.532 386 1HB GLU 51 2HB GLU 51 -9.141 4.447 4.021 387 2HB GLU 51 1HB GLU 51 -7.448 4.889 4.108 388 1HG GLU 51 2HG GLU 51 -7.760 6.277 5.911 389 2HG GLU 51 1HG GLU 51 -9.415 6.650 5.472 390 H SER 52 H SER 52 -6.356 7.057 3.714 391 HA SER 52 HA SER 52 -5.251 6.544 1.007 392 1HB SER 52 2HB SER 52 -5.531 8.965 1.416 393 2HB SER 52 1HB SER 52 -4.475 8.820 2.806 394 HG SER 52 HG SER 52 -3.353 9.521 0.924 395 H LEU 53 H LEU 53 -3.532 5.307 0.899 396 HA LEU 53 HA LEU 53 -1.853 5.020 3.296 397 1HB LEU 53 2HB LEU 53 -3.559 3.264 3.394 398 2HB LEU 53 1HB LEU 53 -2.984 2.660 1.853 399 HG LEU 53 HG LEU 53 -0.862 2.112 2.835 400 1HD1 LEU 53 1HD1 LEU 53 -0.678 3.875 4.497 401 2HD1 LEU 53 2HD1 LEU 53 -2.020 3.137 5.437 402 3HD1 LEU 53 3HD1 LEU 53 -0.459 2.263 5.262 403 1HD2 LEU 53 1HD2 LEU 53 -3.194 0.996 4.408 404 2HD2 LEU 53 2HD2 LEU 53 -2.584 0.398 2.826 405 3HD2 LEU 53 3HD2 LEU 53 -1.560 0.255 4.297 406 H GLU 54 H GLU 54 0.157 3.774 2.814 407 HA GLU 54 HA GLU 54 1.308 4.926 0.418 408 1HB GLU 54 2HB GLU 54 3.021 4.956 1.846 409 2HB GLU 54 1HB GLU 54 2.300 3.727 2.866 410 1HG GLU 54 2HG GLU 54 3.043 2.007 1.224 411 2HG GLU 54 1HG GLU 54 3.873 3.268 0.336 412 H VAL 55 H VAL 55 1.724 4.041 -1.468 413 HA VAL 55 HA VAL 55 0.930 1.209 -1.792 414 HB VAL 55 HB VAL 55 0.822 3.587 -3.525 415 1HG1 VAL 55 1HG1 VAL 55 2.255 2.117 -4.842 416 2HG1 VAL 55 2HG1 VAL 55 1.079 0.775 -4.624 417 3HG1 VAL 55 3HG1 VAL 55 0.615 2.230 -5.572 418 1HG2 VAL 55 1HG2 VAL 55 -1.016 1.211 -3.127 419 2HG2 VAL 55 2HG2 VAL 55 -1.194 2.835 -2.377 420 3HG2 VAL 55 3HG2 VAL 55 -1.366 2.643 -4.156 421 H ILE 56 H ILE 56 2.355 -0.299 -2.153 422 HA ILE 56 HA ILE 56 5.139 0.537 -2.551 423 HB ILE 56 HB ILE 56 4.100 -2.204 -2.007 424 1HG1 ILE 56 2HG1 ILE 56 4.797 0.003 -0.125 425 2HG1 ILE 56 1HG1 ILE 56 3.359 -0.997 -0.163 426 1HG2 ILE 56 1HG2 ILE 56 6.340 -2.203 -2.947 427 2HG2 ILE 56 2HG2 ILE 56 6.866 -1.014 -1.706 428 3HG2 ILE 56 3HG2 ILE 56 6.384 -2.674 -1.213 429 1HD1 ILE 56 1HG1 ILE 56 4.687 -2.973 0.502 430 2HD1 ILE 56 2HG1 ILE 56 6.163 -1.947 0.542 431 3HD1 ILE 56 3HG1 ILE 56 4.830 -1.649 1.710 432 H GLN 57 H GLN 57 5.468 -2.326 -3.657 433 HA GLN 57 HA GLN 57 5.178 -1.463 -6.457 434 1HB GLN 57 2HB GLN 57 6.775 -3.646 -5.169 435 2HB GLN 57 1HB GLN 57 6.596 -3.506 -6.906 436 1HG GLN 57 2HG GLN 57 7.736 -1.393 -5.080 437 2HG GLN 57 1HG GLN 57 8.663 -2.430 -6.146 438 1HE2 GLN 57 1HE2 GLN 57 7.826 -2.457 -8.464 439 2HE2 GLN 57 2HE2 GLN 57 7.509 -0.897 -9.188 440 H THR 58 H THR 58 4.390 -2.889 -8.081 441 HA THR 58 HA THR 58 1.894 -4.054 -7.323 442 HB THR 58 HB THR 58 1.990 -4.789 -9.819 443 HG1 THR 58 HG1 THR 58 3.783 -3.681 -10.836 444 1HG2 THR 58 1HG2 THR 58 0.923 -2.595 -9.060 445 2HG2 THR 58 2HG2 THR 58 2.552 -1.846 -9.186 446 3HG2 THR 58 3HG2 THR 58 1.738 -2.481 -10.658 447 H THR 59 H THR 59 1.447 -5.938 -6.508 448 HA THR 59 HA THR 59 3.375 -7.863 -5.881 449 HB THR 59 HB THR 59 0.400 -7.768 -5.928 450 HG1 THR 59 HG1 THR 59 0.980 -8.253 -3.715 451 1HG2 THR 59 1HG2 THR 59 0.978 -10.129 -6.712 452 2HG2 THR 59 2HG2 THR 59 2.043 -10.268 -5.270 453 3HG2 THR 59 3HG2 THR 59 0.267 -10.076 -5.062 454 H ASP 60 H ASP 60 0.749 -8.499 -8.165 455 HA ASP 60 HA ASP 60 2.633 -10.179 -9.729 456 1HB ASP 60 2HB ASP 60 -0.304 -10.216 -9.285 457 2HB ASP 60 1HB ASP 60 0.320 -10.815 -10.809 458 H ASP 61 H ASP 61 -0.406 -8.968 -10.891 459 HA ASP 61 HA ASP 61 1.055 -7.274 -12.861 460 1HB ASP 61 2HB ASP 61 -1.554 -8.727 -13.208 461 2HB ASP 61 1HB ASP 61 -0.785 -7.703 -14.404 462 H THR 62 H THR 62 -2.148 -7.785 -11.402 463 HA THR 62 HA THR 62 -2.420 -4.833 -11.228 464 HB THR 62 HB THR 62 -4.841 -6.572 -11.371 465 HG1 THR 62 HG1 THR 62 -4.453 -6.574 -13.678 466 1HG2 THR 62 1HG2 THR 62 -4.979 -4.023 -11.287 467 2HG2 THR 62 2HG2 THR 62 -4.019 -3.995 -12.806 468 3HG2 THR 62 3HG2 THR 62 -5.660 -4.729 -12.793 469 H LYS 63 H LYS 63 -1.172 -5.277 -9.220 470 HA LYS 63 HA LYS 63 -3.053 -5.308 -7.027 471 1HB LYS 63 2HB LYS 63 -2.717 -7.707 -7.340 472 2HB LYS 63 1HB LYS 63 -0.993 -7.486 -7.125 473 1HG LYS 63 2HG LYS 63 -1.203 -7.506 -4.900 474 2HG LYS 63 1HG LYS 63 -2.437 -6.263 -4.957 475 1HD LYS 63 2HD LYS 63 -4.116 -8.015 -5.489 476 2HD LYS 63 1HD LYS 63 -2.866 -9.227 -5.296 477 1HE LYS 63 2HE LYS 63 -2.977 -9.141 -3.048 478 2HE LYS 63 1HE LYS 63 -3.054 -7.391 -3.033 479 1HZ LYS 63 1HZ LYS 63 -5.368 -7.536 -3.595 480 2HZ LYS 63 2HZ LYS 63 -5.295 -9.190 -3.609 481 3HZ LYS 63 3HZ LYS 63 -5.062 -8.363 -2.194 482 H VAL 64 H VAL 64 -2.464 -3.952 -5.516 483 HA VAL 64 HA VAL 64 0.388 -3.131 -5.490 484 HB VAL 64 HB VAL 64 -0.210 -0.892 -5.186 485 1HG1 VAL 64 1HG1 VAL 64 -0.333 -1.621 -7.509 486 2HG1 VAL 64 2HG1 VAL 64 -2.060 -2.064 -7.279 487 3HG1 VAL 64 3HG1 VAL 64 -1.552 -0.343 -7.178 488 1HG2 VAL 64 1HG2 VAL 64 -3.088 -1.793 -4.895 489 2HG2 VAL 64 2HG2 VAL 64 -2.025 -1.175 -3.583 490 3HG2 VAL 64 3HG2 VAL 64 -2.524 -0.086 -4.924 491 H LEU 65 H LEU 65 1.422 -3.332 -3.661 492 HA LEU 65 HA LEU 65 -0.122 -4.183 -1.324 493 1HB LEU 65 2HB LEU 65 1.591 -5.610 -1.429 494 2HB LEU 65 1HB LEU 65 2.646 -4.458 -2.222 495 HG LEU 65 HG LEU 65 2.749 -3.337 0.081 496 1HD1 LEU 65 1HD1 LEU 65 0.965 -4.584 1.161 497 2HD1 LEU 65 2HD1 LEU 65 1.864 -6.116 0.888 498 3HD1 LEU 65 3HD1 LEU 65 2.530 -4.869 1.998 499 1HD2 LEU 65 1HD2 LEU 65 4.145 -5.968 -0.451 500 2HD2 LEU 65 2HD2 LEU 65 4.669 -4.343 -1.013 501 3HD2 LEU 65 3HD2 LEU 65 4.669 -4.730 0.742 502 H CYS 66 H CYS 66 -0.752 -2.911 0.212 503 HA CYS 66 HA CYS 66 0.339 -0.182 0.285 504 1HB CYS 66 2HB CYS 66 -1.958 -1.266 1.887 505 2HB CYS 66 1HB CYS 66 -1.542 0.415 1.625 506 HG CYS 66 HG CYS 66 -3.811 -0.193 -0.023 507 H ARG 67 H ARG 67 0.975 0.798 2.277 508 HA ARG 67 HA ARG 67 1.901 -1.143 4.314 509 1HB ARG 67 2HB ARG 67 3.664 -0.181 2.537 510 2HB ARG 67 1HB ARG 67 3.710 1.108 3.723 511 1HG ARG 67 2HG ARG 67 4.031 -0.723 5.470 512 2HG ARG 67 1HG ARG 67 4.341 -1.802 4.125 513 1HD ARG 67 2HD ARG 67 6.378 -0.888 3.692 514 2HD ARG 67 1HD ARG 67 5.850 0.733 4.096 515 HE ARG 67 HE ARG 67 6.091 -1.116 6.368 516 1HH1 ARG 67 2HH1 ARG 67 7.656 1.419 4.425 517 2HH1 ARG 67 HH22 ARG 67 8.809 1.832 5.674 518 1HH2 ARG 67 1HH1 ARG 67 7.577 -0.576 7.964 519 2HH2 ARG 67 2HH1 ARG 67 8.759 0.686 7.699 520 H ASN 68 H ASN 68 1.901 -0.453 6.385 521 HA ASN 68 HA ASN 68 0.858 2.304 6.830 522 1HB ASN 68 2HB ASN 68 0.066 1.072 9.054 523 2HB ASN 68 1HB ASN 68 -0.930 1.102 7.613 524 1HD2 ASN 68 1HD2 ASN 68 1.173 -0.754 9.656 525 2HD2 ASN 68 2HD2 ASN 68 0.810 -2.338 9.009 526 H GLU 69 H GLU 69 1.771 3.509 8.410 527 HA GLU 69 HA GLU 69 4.437 2.998 9.119 528 1HB GLU 69 2HB GLU 69 2.727 5.125 9.378 529 2HB GLU 69 1HB GLU 69 3.051 4.675 11.040 530 1HG GLU 69 2HG GLU 69 5.490 4.724 10.514 531 2HG GLU 69 1HG GLU 69 5.090 5.337 8.922 532 H GLU 70 H GLU 70 1.620 1.603 10.273 533 HA GLU 70 HA GLU 70 2.270 1.153 12.985 534 1HB GLU 70 2HB GLU 70 0.126 0.584 11.469 535 2HB GLU 70 1HB GLU 70 0.845 -1.008 11.601 536 1HG GLU 70 2HG GLU 70 0.491 -1.133 13.860 537 2HG GLU 70 1HG GLU 70 0.624 0.599 14.084 538 H GLY 71 H GLY 71 3.837 0.170 10.231 539 1HA GLY 71 2HA GLY 71 5.832 -1.060 10.157 540 2HA GLY 71 1HA GLY 71 5.525 -1.659 11.774 541 H LYS 72 H LYS 72 2.846 -1.835 9.721 542 HA LYS 72 HA LYS 72 3.447 -4.670 9.108 543 1HB LYS 72 2HB LYS 72 1.885 -5.048 10.696 544 2HB LYS 72 1HB LYS 72 1.108 -3.496 10.458 545 1HG LYS 72 2HG LYS 72 0.022 -4.274 8.458 546 2HG LYS 72 1HG LYS 72 0.930 -5.772 8.493 547 1HD LYS 72 2HD LYS 72 -1.134 -6.396 9.383 548 2HD LYS 72 1HD LYS 72 -0.162 -6.114 10.814 549 1HE LYS 72 2HE LYS 72 -1.669 -3.804 9.724 550 2HE LYS 72 1HE LYS 72 -2.594 -5.058 10.525 551 1HZ LYS 72 1HZ LYS 72 -1.184 -4.814 12.432 552 2HZ LYS 72 2HZ LYS 72 -0.309 -3.628 11.676 553 3HZ LYS 72 3HZ LYS 72 -1.900 -3.369 12.056 554 H TYR 73 H TYR 73 2.393 -5.562 7.263 555 HA TYR 73 HA TYR 73 1.813 -3.468 5.211 556 1HB TYR 73 2HB TYR 73 3.217 -6.129 5.106 557 2HB TYR 73 1HB TYR 73 2.736 -5.253 3.667 558 HD1 TYR 73 HD1 TYR 73 4.528 -4.487 6.862 559 HD2 TYR 73 HD2 TYR 73 4.426 -4.095 2.613 560 HE1 TYR 73 HE1 TYR 73 6.701 -3.182 6.923 561 HE2 TYR 73 HE2 TYR 73 6.600 -2.790 2.689 562 HH TYR 73 HH TYR 73 8.150 -1.989 3.954 563 H GLY 74 H GLY 74 0.536 -4.297 3.360 564 1HA GLY 74 2HA GLY 74 -1.191 -6.594 3.873 565 2HA GLY 74 1HA GLY 74 -2.000 -5.042 3.951 566 H TYR 75 H TYR 75 -2.607 -7.086 2.113 567 HA TYR 75 HA TYR 75 -1.532 -6.053 -0.462 568 1HB TYR 75 2HB TYR 75 -2.691 -8.587 0.575 569 2HB TYR 75 1HB TYR 75 -2.929 -8.217 -1.121 570 HD1 TYR 75 HD1 TYR 75 -1.208 -10.407 0.524 571 HD2 TYR 75 HD2 TYR 75 -0.336 -6.902 -1.749 572 HE1 TYR 75 HE1 TYR 75 1.102 -11.314 -0.003 573 HE2 TYR 75 HE2 TYR 75 1.969 -7.820 -2.269 574 HH TYR 75 HH TYR 75 3.336 -9.462 -1.983 575 H VAL 76 H VAL 76 -2.936 -5.577 -2.178 576 HA VAL 76 HA VAL 76 -5.796 -5.346 -1.539 577 HB VAL 76 HB VAL 76 -4.431 -2.989 -2.712 578 1HG1 VAL 76 1HG1 VAL 76 -6.863 -3.085 -2.876 579 2HG1 VAL 76 2HG1 VAL 76 -6.973 -3.321 -1.097 580 3HG1 VAL 76 3HG1 VAL 76 -6.351 -1.771 -1.761 581 1HG2 VAL 76 1HG2 VAL 76 -4.749 -3.517 0.255 582 2HG2 VAL 76 2HG2 VAL 76 -3.199 -3.407 -0.649 583 3HG2 VAL 76 3HG2 VAL 76 -4.246 -1.956 -0.482 584 H LEU 77 H LEU 77 -6.991 -6.065 -3.116 585 HA LEU 77 HA LEU 77 -5.710 -6.749 -5.628 586 1HB LEU 77 2HB LEU 77 -7.634 -7.926 -4.192 587 2HB LEU 77 1HB LEU 77 -8.602 -7.077 -5.381 588 HG LEU 77 HG LEU 77 -6.644 -9.271 -5.770 589 1HD1 LEU 77 1HD1 LEU 77 -8.955 -9.916 -5.387 590 2HD1 LEU 77 2HD1 LEU 77 -9.483 -8.842 -6.728 591 3HD1 LEU 77 3HD1 LEU 77 -8.470 -10.286 -7.078 592 1HD2 LEU 77 1HD2 LEU 77 -7.620 -7.395 -7.935 593 2HD2 LEU 77 2HD2 LEU 77 -5.930 -7.565 -7.345 594 3HD2 LEU 77 3HD2 LEU 77 -6.722 -8.929 -8.209 595 H ARG 78 H ARG 78 -6.113 -5.968 -7.637 596 HA ARG 78 HA ARG 78 -6.564 -3.199 -7.850 597 1HB ARG 78 2HB ARG 78 -6.539 -3.487 -10.205 598 2HB ARG 78 1HB ARG 78 -5.431 -4.675 -9.548 599 1HG ARG 78 2HG ARG 78 -6.598 -6.323 -10.501 600 2HG ARG 78 1HG ARG 78 -8.041 -5.819 -9.646 601 1HD ARG 78 2HD ARG 78 -7.497 -4.028 -11.836 602 2HD ARG 78 1HD ARG 78 -7.585 -5.683 -12.406 603 HE ARG 78 HE ARG 78 -9.741 -4.825 -10.591 604 1HH1 ARG 78 2HH1 ARG 78 -8.703 -5.353 -13.953 605 2HH1 ARG 78 HH22 ARG 78 -10.337 -5.420 -14.573 606 1HH2 ARG 78 1HH1 ARG 78 -11.835 -4.913 -11.402 607 2HH2 ARG 78 2HH1 ARG 78 -12.126 -5.167 -13.108 608 H SER 79 H SER 79 -8.741 -5.832 -7.627 609 HA SER 79 HA SER 79 -11.000 -4.911 -8.950 610 1HB SER 79 2HB SER 79 -11.085 -7.062 -7.980 611 2HB SER 79 1HB SER 79 -10.750 -6.431 -6.381 612 HG SER 79 HG SER 79 -12.974 -6.941 -6.673 613 H TYR 80 H TYR 80 -10.231 -4.377 -5.523 614 HA TYR 80 HA TYR 80 -11.899 -1.901 -5.627 615 1HB TYR 80 2HB TYR 80 -12.056 -2.371 -3.139 616 2HB TYR 80 1HB TYR 80 -12.882 -3.508 -4.186 617 HD1 TYR 80 HD1 TYR 80 -9.947 -3.009 -2.018 618 HD2 TYR 80 HD2 TYR 80 -12.213 -5.805 -4.312 619 HE1 TYR 80 HE1 TYR 80 -8.676 -4.926 -0.949 620 HE2 TYR 80 HE2 TYR 80 -10.934 -7.713 -3.235 621 HH TYR 80 HH TYR 80 -9.394 -8.251 -1.829 622 H LEU 81 H LEU 81 -10.036 -0.709 -6.362 623 HA LEU 81 HA LEU 81 -8.589 0.434 -4.182 624 1HB LEU 81 2HB LEU 81 -6.963 -1.062 -4.063 625 2HB LEU 81 1HB LEU 81 -7.321 -1.726 -5.644 626 HG LEU 81 HG LEU 81 -6.183 0.454 -6.474 627 1HD1 LEU 81 1HD1 LEU 81 -5.931 1.528 -4.310 628 2HD1 LEU 81 2HD1 LEU 81 -4.949 0.139 -3.729 629 3HD1 LEU 81 3HD1 LEU 81 -4.322 1.197 -5.040 630 1HD2 LEU 81 1HD2 LEU 81 -4.626 -1.902 -5.387 631 2HD2 LEU 81 2HD2 LEU 81 -5.406 -1.786 -7.003 632 3HD2 LEU 81 3HD2 LEU 81 -4.019 -0.717 -6.595 633 H ALA 82 H ALA 82 -6.847 1.981 -5.068 634 HA ALA 82 HA ALA 82 -8.214 3.612 -7.029 635 1HB ALA 82 1HB ALA 82 -7.109 4.635 -5.096 636 2HB ALA 82 2HB ALA 82 -5.533 3.972 -5.651 637 3HB ALA 82 3HB ALA 82 -6.378 5.220 -6.631 638 H ASP 83 H ASP 83 -6.774 4.676 -8.764 639 HA ASP 83 HA ASP 83 -6.220 2.739 -10.729 640 1HB ASP 83 2HB ASP 83 -5.963 5.587 -10.455 641 2HB ASP 83 1HB ASP 83 -4.570 4.924 -11.287 Start of MODEL 9 1 H GLU 7 H1 GLU 7 2.522 -4.569 13.403 2 HA GLU 7 HA GLU 7 4.479 -3.331 13.667 3 1HB GLU 7 2HB GLU 7 3.917 -3.079 16.215 4 2HB GLU 7 1HB GLU 7 4.927 -4.504 16.355 5 1HG GLU 7 2HG GLU 7 6.750 -3.339 15.215 6 2HG GLU 7 1HG GLU 7 5.740 -1.919 15.031 7 H LYS 8 H LYS 8 3.901 -6.425 15.290 8 HA LYS 8 HA LYS 8 6.287 -7.595 14.176 9 1HB LYS 8 2HB LYS 8 4.007 -8.670 15.771 10 2HB LYS 8 1HB LYS 8 5.216 -9.735 15.084 11 1HG LYS 8 2HG LYS 8 6.662 -9.230 16.711 12 2HG LYS 8 1HG LYS 8 6.493 -7.517 16.386 13 1HD LYS 8 2HD LYS 8 4.167 -7.989 17.671 14 2HD LYS 8 1HD LYS 8 5.192 -9.182 18.442 15 1HE LYS 8 2HE LYS 8 5.958 -7.546 19.763 16 2HE LYS 8 1HE LYS 8 6.737 -6.861 18.351 17 1HZ LYS 8 1HZ LYS 8 4.748 -5.618 17.916 18 2HZ LYS 8 2HZ LYS 8 4.012 -6.266 19.250 19 3HZ LYS 8 3HZ LYS 8 5.325 -5.273 19.429 20 H GLU 9 H GLU 9 3.300 -6.813 12.966 21 HA GLU 9 HA GLU 9 2.757 -8.986 11.245 22 1HB GLU 9 2HB GLU 9 1.466 -6.703 11.804 23 2HB GLU 9 1HB GLU 9 2.124 -6.301 10.231 24 1HG GLU 9 2HG GLU 9 -0.129 -7.320 10.086 25 2HG GLU 9 1HG GLU 9 1.090 -8.263 9.252 26 H GLU 10 H GLU 10 5.128 -6.507 11.153 27 HA GLU 10 HA GLU 10 5.689 -6.489 8.384 28 1HB GLU 10 2HB GLU 10 6.703 -4.761 9.526 29 2HB GLU 10 1HB GLU 10 7.273 -5.808 10.810 30 1HG GLU 10 2HG GLU 10 8.335 -6.435 8.144 31 2HG GLU 10 1HG GLU 10 8.833 -4.884 8.788 32 H LYS 11 H LYS 11 6.847 -8.525 11.007 33 HA LYS 11 HA LYS 11 8.646 -9.999 9.310 34 1HB LYS 11 2HB LYS 11 7.605 -10.738 12.025 35 2HB LYS 11 1HB LYS 11 8.998 -11.430 11.217 36 1HG LYS 11 2HG LYS 11 9.071 -8.511 11.421 37 2HG LYS 11 1HG LYS 11 9.089 -9.332 12.968 38 1HD LYS 11 2HD LYS 11 11.008 -10.662 12.262 39 2HD LYS 11 1HD LYS 11 10.972 -9.902 10.684 40 1HE LYS 11 2HE LYS 11 12.522 -8.529 11.625 41 2HE LYS 11 1HE LYS 11 11.102 -7.709 12.242 42 1HZ LYS 11 1HZ LYS 11 11.284 -9.000 14.240 43 2HZ LYS 11 2HZ LYS 11 12.627 -9.775 13.656 44 3HZ LYS 11 3HZ LYS 11 12.680 -8.150 13.973 45 H ASP 12 H ASP 12 5.461 -10.607 10.709 46 HA ASP 12 HA ASP 12 5.041 -13.167 9.603 47 1HB ASP 12 2HB ASP 12 3.591 -11.887 11.271 48 2HB ASP 12 1HB ASP 12 2.889 -11.103 9.870 49 H PHE 13 H PHE 13 4.879 -9.967 8.260 50 HA PHE 13 HA PHE 13 3.357 -10.493 5.925 51 1HB PHE 13 2HB PHE 13 3.697 -8.261 6.273 52 2HB PHE 13 1HB PHE 13 5.321 -8.503 6.885 53 HD1 PHE 13 HD1 PHE 13 3.326 -7.649 4.040 54 HD2 PHE 13 HD2 PHE 13 7.177 -8.914 5.256 55 HE1 PHE 13 HE1 PHE 13 4.264 -6.910 1.839 56 HE2 PHE 13 HE2 PHE 13 8.115 -8.175 3.056 57 HZ PHE 13 HZ PHE 13 6.647 -7.184 1.373 58 H ARG 14 H ARG 14 6.849 -10.568 6.540 59 HA ARG 14 HA ARG 14 7.665 -11.221 3.920 60 1HB ARG 14 2HB ARG 14 9.445 -10.620 5.247 61 2HB ARG 14 1HB ARG 14 8.873 -11.553 6.616 62 1HG ARG 14 2HG ARG 14 9.629 -13.584 5.687 63 2HG ARG 14 1HG ARG 14 9.815 -12.879 4.094 64 1HD ARG 14 2HD ARG 14 11.998 -12.709 4.653 65 2HD ARG 14 1HD ARG 14 11.486 -11.315 5.583 66 HE ARG 14 HE ARG 14 12.226 -13.965 6.632 67 1HH1 ARG 14 2HH1 ARG 14 10.734 -10.805 7.304 68 2HH1 ARG 14 HH22 ARG 14 10.920 -10.952 9.037 69 1HH2 ARG 14 1HH1 ARG 14 12.458 -14.139 8.860 70 2HH2 ARG 14 2HH1 ARG 14 11.907 -12.863 9.922 71 H LYS 15 H LYS 15 6.340 -13.132 6.496 72 HA LYS 15 HA LYS 15 7.112 -15.687 5.663 73 1HB LYS 15 2HB LYS 15 4.780 -14.662 7.194 74 2HB LYS 15 1HB LYS 15 4.854 -16.354 6.746 75 1HG LYS 15 2HG LYS 15 5.875 -16.342 8.838 76 2HG LYS 15 1HG LYS 15 7.245 -16.267 7.748 77 1HD LYS 15 2HD LYS 15 6.320 -13.614 8.295 78 2HD LYS 15 1HD LYS 15 6.584 -14.460 9.806 79 1HE LYS 15 2HE LYS 15 8.566 -14.015 7.584 80 2HE LYS 15 1HE LYS 15 8.651 -13.412 9.227 81 1HZ LYS 15 1HZ LYS 15 8.859 -15.662 9.990 82 2HZ LYS 15 2HZ LYS 15 8.778 -16.232 8.437 83 3HZ LYS 15 3HZ LYS 15 10.065 -15.305 8.913 84 H LYS 16 H LYS 16 4.067 -14.025 4.919 85 HA LYS 16 HA LYS 16 3.583 -15.885 2.730 86 1HB LYS 16 2HB LYS 16 1.850 -14.830 4.349 87 2HB LYS 16 1HB LYS 16 1.895 -13.490 3.221 88 1HG LYS 16 2HG LYS 16 0.139 -14.885 2.466 89 2HG LYS 16 1HG LYS 16 1.483 -15.209 1.389 90 1HD LYS 16 2HD LYS 16 1.883 -17.300 2.301 91 2HD LYS 16 1HD LYS 16 1.138 -16.887 3.832 92 1HE LYS 16 2HE LYS 16 -1.064 -16.764 2.546 93 2HE LYS 16 1HE LYS 16 -0.215 -17.554 1.232 94 1HZ LYS 16 1HZ LYS 16 0.306 -19.350 2.713 95 2HZ LYS 16 2HZ LYS 16 -0.496 -18.604 3.955 96 3HZ LYS 16 3HZ LYS 16 -1.333 -19.131 2.627 97 H PHE 17 H PHE 17 4.688 -12.631 3.238 98 HA PHE 17 HA PHE 17 4.715 -12.029 0.363 99 1HB PHE 17 2HB PHE 17 5.527 -10.591 2.875 100 2HB PHE 17 1HB PHE 17 5.794 -9.918 1.279 101 HD1 PHE 17 HD1 PHE 17 4.241 -8.411 0.536 102 HD2 PHE 17 HD2 PHE 17 3.009 -11.454 3.209 103 HE1 PHE 17 HE1 PHE 17 1.924 -7.462 0.550 104 HE2 PHE 17 HE2 PHE 17 0.691 -10.504 3.222 105 HZ PHE 17 HZ PHE 17 0.177 -8.518 1.893 106 H LYS 18 H LYS 18 6.331 -14.246 1.521 107 HA LYS 18 HA LYS 18 8.959 -13.836 1.925 108 1HB LYS 18 2HB LYS 18 7.429 -15.963 0.958 109 2HB LYS 18 1HB LYS 18 8.798 -15.813 -0.125 110 1HG LYS 18 2HG LYS 18 9.031 -15.920 2.877 111 2HG LYS 18 1HG LYS 18 9.214 -17.314 1.831 112 1HD LYS 18 2HD LYS 18 10.851 -14.889 1.276 113 2HD LYS 18 1HD LYS 18 11.317 -15.930 2.606 114 1HE LYS 18 2HE LYS 18 10.828 -17.719 0.570 115 2HE LYS 18 1HE LYS 18 11.562 -16.366 -0.267 116 1HZ LYS 18 1HZ LYS 18 13.376 -16.454 1.280 117 2HZ LYS 18 2HZ LYS 18 12.682 -17.733 2.072 118 3HZ LYS 18 3HZ LYS 18 13.204 -17.910 0.510 119 H TYR 19 H TYR 19 7.417 -12.098 -0.191 120 HA TYR 19 HA TYR 19 9.010 -12.093 -2.552 121 1HB TYR 19 2HB TYR 19 7.100 -10.890 -2.828 122 2HB TYR 19 1HB TYR 19 7.057 -10.399 -1.146 123 HD1 TYR 19 HD1 TYR 19 7.130 -8.121 -0.816 124 HD2 TYR 19 HD2 TYR 19 9.301 -9.806 -4.081 125 HE1 TYR 19 HE1 TYR 19 7.945 -5.811 -1.475 126 HE2 TYR 19 HE2 TYR 19 10.109 -7.491 -4.730 127 HH TYR 19 HH TYR 19 10.056 -5.389 -4.252 128 H ASP 20 H ASP 20 11.056 -11.557 -2.826 129 HA ASP 20 HA ASP 20 12.372 -9.858 -0.782 130 1HB ASP 20 2HB ASP 20 13.342 -11.842 -2.784 131 2HB ASP 20 1HB ASP 20 14.428 -10.598 -2.198 132 H GLY 21 H GLY 21 11.859 -7.809 -1.349 133 1HA GLY 21 2HA GLY 21 13.102 -6.832 -3.831 134 2HA GLY 21 1HA GLY 21 11.385 -6.540 -3.636 135 H GLU 22 H GLU 22 12.276 -4.292 -3.876 136 HA GLU 22 HA GLU 22 13.325 -3.274 -1.308 137 1HB GLU 22 2HB GLU 22 14.342 -2.727 -3.645 138 2HB GLU 22 1HB GLU 22 13.036 -1.563 -3.721 139 1HG GLU 22 2HG GLU 22 13.814 -0.716 -1.470 140 2HG GLU 22 1HG GLU 22 15.235 -1.720 -1.673 141 H ILE 23 H ILE 23 11.555 -3.279 -0.026 142 HA ILE 23 HA ILE 23 9.034 -2.244 -0.860 143 HB ILE 23 HB ILE 23 10.110 -3.478 1.425 144 1HG1 ILE 23 2HG1 ILE 23 7.219 -2.871 1.084 145 2HG1 ILE 23 1HG1 ILE 23 8.034 -3.940 -0.039 146 1HG2 ILE 23 1HG2 ILE 23 10.225 -1.297 2.489 147 2HG2 ILE 23 2HG2 ILE 23 8.504 -0.994 2.067 148 3HG2 ILE 23 3HG2 ILE 23 8.928 -2.294 3.234 149 1HD1 ILE 23 1HG1 ILE 23 8.769 -5.382 1.832 150 2HD1 ILE 23 2HG1 ILE 23 7.932 -4.284 2.984 151 3HD1 ILE 23 3HG1 ILE 23 6.978 -5.227 1.786 152 H ARG 24 H ARG 24 8.783 -0.296 -1.600 153 HA ARG 24 HA ARG 24 9.437 1.950 0.146 154 1HB ARG 24 2HB ARG 24 10.658 3.186 -1.600 155 2HB ARG 24 1HB ARG 24 11.525 1.758 -1.071 156 1HG ARG 24 2HG ARG 24 10.726 0.530 -3.027 157 2HG ARG 24 1HG ARG 24 9.815 1.933 -3.549 158 1HD ARG 24 2HD ARG 24 12.816 1.818 -3.249 159 2HD ARG 24 1HD ARG 24 11.945 1.741 -4.768 160 HE ARG 24 HE ARG 24 11.103 4.079 -3.401 161 1HH1 ARG 24 2HH1 ARG 24 14.020 2.795 -4.979 162 2HH1 ARG 24 HH22 ARG 24 14.634 4.377 -5.403 163 1HH2 ARG 24 1HH1 ARG 24 11.902 6.106 -3.951 164 2HH2 ARG 24 2HH1 ARG 24 13.416 6.270 -4.812 165 H VAL 25 H VAL 25 7.830 3.318 0.124 166 HA VAL 25 HA VAL 25 5.699 3.007 -1.789 167 HB VAL 25 HB VAL 25 5.164 3.546 0.460 168 1HG1 VAL 25 1HG1 VAL 25 7.220 4.681 1.117 169 2HG1 VAL 25 2HG1 VAL 25 6.778 6.082 0.081 170 3HG1 VAL 25 3HG1 VAL 25 5.783 5.682 1.524 171 1HG2 VAL 25 1HG2 VAL 25 4.595 5.915 -1.343 172 2HG2 VAL 25 2HG2 VAL 25 3.626 4.405 -1.228 173 3HG2 VAL 25 3HG2 VAL 25 3.719 5.523 0.177 174 H LEU 26 H LEU 26 6.242 3.451 -3.816 175 HA LEU 26 HA LEU 26 7.643 5.967 -4.372 176 1HB LEU 26 2HB LEU 26 7.163 3.476 -5.846 177 2HB LEU 26 1HB LEU 26 7.307 4.944 -6.790 178 HG LEU 26 HG LEU 26 9.398 4.498 -4.801 179 1HD1 LEU 26 1HD1 LEU 26 9.116 2.204 -5.548 180 2HD1 LEU 26 2HD1 LEU 26 9.213 2.744 -7.260 181 3HD1 LEU 26 3HD1 LEU 26 10.649 2.892 -6.188 182 1HD2 LEU 26 1HD2 LEU 26 9.429 5.346 -7.706 183 2HD2 LEU 26 2HD2 LEU 26 9.467 6.430 -6.272 184 3HD2 LEU 26 3HD2 LEU 26 10.851 5.332 -6.606 185 H TYR 27 H TYR 27 4.626 4.316 -5.161 186 HA TYR 27 HA TYR 27 3.437 6.986 -5.778 187 1HB TYR 27 2HB TYR 27 2.164 5.879 -7.503 188 2HB TYR 27 1HB TYR 27 3.861 5.515 -7.744 189 HD1 TYR 27 HD1 TYR 27 0.576 4.158 -7.218 190 HD2 TYR 27 HD2 TYR 27 4.743 3.265 -6.989 191 HE1 TYR 27 HE1 TYR 27 0.051 1.677 -7.212 192 HE2 TYR 27 HE2 TYR 27 4.204 0.787 -6.985 193 HH TYR 27 HH TYR 27 2.639 -0.692 -7.047 194 H SER 28 H SER 28 2.707 7.134 -3.604 195 HA SER 28 HA SER 28 1.056 5.079 -2.455 196 1HB SER 28 2HB SER 28 0.555 6.713 -0.723 197 2HB SER 28 1HB SER 28 2.276 6.653 -1.050 198 HG SER 28 HG SER 28 1.490 8.809 -0.884 199 H THR 29 H THR 29 -0.808 4.502 -3.250 200 HA THR 29 HA THR 29 -2.460 6.481 -4.646 201 HB THR 29 HB THR 29 -1.933 4.031 -5.406 202 HG1 THR 29 HG1 THR 29 -4.060 4.157 -6.372 203 1HG2 THR 29 1HG2 THR 29 -2.847 2.953 -3.276 204 2HG2 THR 29 2HG2 THR 29 -4.442 3.675 -3.684 205 3HG2 THR 29 3HG2 THR 29 -3.711 2.440 -4.767 206 H LYS 30 H LYS 30 -4.721 6.719 -4.216 207 HA LYS 30 HA LYS 30 -5.221 6.588 -1.306 208 1HB LYS 30 2HB LYS 30 -5.248 8.831 -2.157 209 2HB LYS 30 1HB LYS 30 -6.416 8.389 -3.385 210 1HG LYS 30 2HG LYS 30 -7.481 7.589 -0.889 211 2HG LYS 30 1HG LYS 30 -6.893 9.229 -0.701 212 1HD LYS 30 2HD LYS 30 -8.137 9.703 -2.911 213 2HD LYS 30 1HD LYS 30 -8.970 8.194 -2.598 214 1HE LYS 30 2HE LYS 30 -10.177 9.066 -0.885 215 2HE LYS 30 1HE LYS 30 -8.849 10.061 -0.324 216 1HZ LYS 30 1HZ LYS 30 -9.273 11.560 -2.130 217 2HZ LYS 30 2HZ LYS 30 -10.528 10.619 -2.660 218 3HZ LYS 30 3HZ LYS 30 -10.629 11.385 -1.196 219 H VAL 31 H VAL 31 -6.890 5.546 -0.447 220 HA VAL 31 HA VAL 31 -8.151 3.553 -2.105 221 HB VAL 31 HB VAL 31 -9.063 4.133 0.648 222 1HG1 VAL 31 1HG1 VAL 31 -10.093 2.282 -0.560 223 2HG1 VAL 31 2HG1 VAL 31 -8.469 1.567 -0.850 224 3HG1 VAL 31 3HG1 VAL 31 -9.118 1.675 0.823 225 1HG2 VAL 31 1HG2 VAL 31 -6.380 2.891 -0.019 226 2HG2 VAL 31 2HG2 VAL 31 -6.651 4.463 0.811 227 3HG2 VAL 31 3HG2 VAL 31 -7.139 2.928 1.611 228 H THR 32 H THR 32 -10.264 3.327 -2.698 229 HA THR 32 HA THR 32 -11.704 5.889 -2.875 230 HB THR 32 HB THR 32 -11.158 4.310 -4.876 231 HG1 THR 32 HG1 THR 32 -13.212 5.061 -5.710 232 1HG2 THR 32 1HG2 THR 32 -12.221 2.240 -3.821 233 2HG2 THR 32 2HG2 THR 32 -13.782 3.131 -3.825 234 3HG2 THR 32 3HG2 THR 32 -12.978 2.719 -5.379 235 H THR 33 H THR 33 -14.213 5.490 -2.981 236 HA THR 33 HA THR 33 -14.903 4.641 -0.291 237 HB THR 33 HB THR 33 -15.794 6.715 -1.491 238 HG1 THR 33 HG1 THR 33 -17.839 6.256 -0.451 239 1HG2 THR 33 1HG2 THR 33 -16.490 5.512 -3.634 240 2HG2 THR 33 2HG2 THR 33 -17.678 4.594 -2.645 241 3HG2 THR 33 3HG2 THR 33 -17.844 6.375 -2.824 242 H SER 34 H SER 34 -14.999 3.361 -3.475 243 HA SER 34 HA SER 34 -16.876 1.235 -2.707 244 1HB SER 34 2HB SER 34 -17.244 2.076 -4.893 245 2HB SER 34 1HB SER 34 -15.548 1.926 -5.305 246 HG SER 34 HG SER 34 -16.817 0.221 -6.185 247 H ILE 35 H ILE 35 -13.981 1.741 -1.780 248 HA ILE 35 HA ILE 35 -12.530 -0.553 -2.705 249 HB ILE 35 HB ILE 35 -11.887 1.721 -1.383 250 1HG1 ILE 35 2HG1 ILE 35 -10.596 -0.258 -2.749 251 2HG1 ILE 35 1HG1 ILE 35 -9.856 1.194 -2.106 252 1HG2 ILE 35 1HG2 ILE 35 -12.613 0.861 0.769 253 2HG2 ILE 35 2HG2 ILE 35 -11.547 -0.572 0.562 254 3HG2 ILE 35 3HG2 ILE 35 -10.827 1.065 0.742 255 1HD1 ILE 35 1HG1 ILE 35 -9.320 0.017 0.001 256 2HD1 ILE 35 2HG1 ILE 35 -10.080 -1.474 -0.658 257 3HD1 ILE 35 3HG1 ILE 35 -8.591 -0.812 -1.418 258 H THR 36 H THR 36 -11.643 -2.148 -1.028 259 HA THR 36 HA THR 36 -13.892 -3.677 -0.137 260 HB THR 36 HB THR 36 -11.874 -4.773 -0.961 261 HG1 THR 36 HG1 THR 36 -11.681 -6.137 0.930 262 1HG2 THR 36 1HG2 THR 36 -10.186 -3.085 -0.050 263 2HG2 THR 36 2HG2 THR 36 -10.569 -3.703 1.595 264 3HG2 THR 36 3HG2 THR 36 -9.803 -4.788 0.383 265 H SER 37 H SER 37 -15.076 -3.367 1.567 266 HA SER 37 HA SER 37 -13.765 -2.194 3.962 267 1HB SER 37 2HB SER 37 -16.494 -1.778 4.237 268 2HB SER 37 1HB SER 37 -15.280 -0.572 3.861 269 HG SER 37 HG SER 37 -16.988 -0.607 2.318 270 H LYS 38 H LYS 38 -15.806 -4.638 2.614 271 HA LYS 38 HA LYS 38 -16.188 -5.802 5.304 272 1HB LYS 38 2HB LYS 38 -18.133 -6.760 4.614 273 2HB LYS 38 1HB LYS 38 -18.117 -5.334 3.597 274 1HG LYS 38 2HG LYS 38 -17.216 -6.613 1.747 275 2HG LYS 38 1HG LYS 38 -17.080 -8.037 2.758 276 1HD LYS 38 2HD LYS 38 -19.484 -8.162 2.987 277 2HD LYS 38 1HD LYS 38 -19.679 -6.653 2.119 278 1HE LYS 38 2HE LYS 38 -20.144 -8.390 0.556 279 2HE LYS 38 1HE LYS 38 -18.555 -7.775 0.150 280 1HZ LYS 38 1HZ LYS 38 -17.595 -9.592 1.362 281 2HZ LYS 38 2HZ LYS 38 -19.097 -10.173 1.746 282 3HZ LYS 38 3HZ LYS 38 -18.593 -10.159 0.169 283 H LYS 39 H LYS 39 -15.196 -6.577 2.009 284 HA LYS 39 HA LYS 39 -14.269 -9.196 2.676 285 1HB LYS 39 2HB LYS 39 -14.804 -7.966 0.357 286 2HB LYS 39 1HB LYS 39 -13.055 -7.863 0.362 287 1HG LYS 39 2HG LYS 39 -13.250 -9.925 -0.590 288 2HG LYS 39 1HG LYS 39 -13.319 -10.422 1.089 289 1HD LYS 39 2HD LYS 39 -15.146 -11.519 0.121 290 2HD LYS 39 1HD LYS 39 -15.866 -10.105 0.865 291 1HE LYS 39 2HE LYS 39 -16.727 -9.564 -1.127 292 2HE LYS 39 1HE LYS 39 -15.097 -9.308 -1.715 293 1HZ LYS 39 1HZ LYS 39 -14.997 -11.617 -2.303 294 2HZ LYS 39 2HZ LYS 39 -16.538 -11.860 -1.747 295 3HZ LYS 39 3HZ LYS 39 -16.275 -10.884 -3.059 296 H TRP 40 H TRP 40 -12.575 -9.834 3.729 297 HA TRP 40 HA TRP 40 -10.147 -8.184 3.676 298 1HB TRP 40 2HB TRP 40 -11.563 -8.932 6.208 299 2HB TRP 40 1HB TRP 40 -9.909 -8.358 6.139 300 HD1 TRP 40 HD1 TRP 40 -12.826 -6.913 7.306 301 HE1 TRP 40 HE1 TRP 40 -9.424 -6.614 3.552 302 HE3 TRP 40 HE3 TRP 40 -13.122 -4.391 6.795 303 HZ2 TRP 40 HZ2 TRP 40 -9.088 -4.401 2.463 304 HZ3 TRP 40 HZ3 TRP 40 -12.006 -2.519 4.978 305 HH2 TRP 40 HH2 TRP 40 -10.315 -2.399 3.120 306 H GLY 41 H GLY 41 -8.398 -9.365 3.457 307 1HA GLY 41 2HA GLY 41 -8.675 -12.290 3.954 308 2HA GLY 41 1HA GLY 41 -7.758 -11.614 2.622 309 H THR 42 H THR 42 -6.725 -13.436 4.486 310 HA THR 42 HA THR 42 -5.334 -12.278 6.629 311 HB THR 42 HB THR 42 -5.117 -14.765 5.026 312 HG1 THR 42 HG1 THR 42 -5.298 -15.459 7.253 313 1HG2 THR 42 1HG2 THR 42 -2.687 -14.040 5.336 314 2HG2 THR 42 2HG2 THR 42 -3.032 -13.896 7.094 315 3HG2 THR 42 3HG2 THR 42 -3.126 -15.500 6.288 316 H ARG 43 H ARG 43 -4.601 -12.419 3.216 317 HA ARG 43 HA ARG 43 -2.033 -11.041 3.676 318 1HB ARG 43 2HB ARG 43 -3.187 -12.615 1.464 319 2HB ARG 43 1HB ARG 43 -2.141 -11.285 1.011 320 1HG ARG 43 2HG ARG 43 -0.520 -12.266 2.779 321 2HG ARG 43 1HG ARG 43 -1.488 -13.719 2.627 322 1HD ARG 43 2HD ARG 43 -0.577 -12.463 0.104 323 2HD ARG 43 1HD ARG 43 0.649 -13.247 1.080 324 HE ARG 43 HE ARG 43 -1.748 -14.866 0.692 325 1HH1 ARG 43 2HH1 ARG 43 1.432 -14.002 -0.647 326 2HH1 ARG 43 HH22 ARG 43 1.578 -15.479 -1.573 327 1HH2 ARG 43 1HH1 ARG 43 -1.549 -16.759 -0.502 328 2HH2 ARG 43 2HH1 ARG 43 -0.133 -17.055 -1.486 329 H ASP 44 H ASP 44 -5.071 -10.131 3.633 330 HA ASP 44 HA ASP 44 -4.676 -7.788 1.850 331 1HB ASP 44 2HB ASP 44 -6.874 -9.448 2.283 332 2HB ASP 44 1HB ASP 44 -7.252 -7.957 3.123 333 H LEU 45 H LEU 45 -5.452 -5.710 2.641 334 HA LEU 45 HA LEU 45 -4.689 -5.393 5.469 335 1HB LEU 45 2HB LEU 45 -3.816 -4.069 3.320 336 2HB LEU 45 1HB LEU 45 -5.120 -3.015 3.827 337 HG LEU 45 HG LEU 45 -4.056 -2.971 6.082 338 1HD1 LEU 45 1HD1 LEU 45 -2.692 -4.974 5.927 339 2HD1 LEU 45 2HD1 LEU 45 -1.737 -4.228 4.599 340 3HD1 LEU 45 3HD1 LEU 45 -1.665 -3.536 6.257 341 1HD2 LEU 45 1HD2 LEU 45 -2.483 -1.830 3.761 342 2HD2 LEU 45 2HD2 LEU 45 -3.905 -1.078 4.565 343 3HD2 LEU 45 3HD2 LEU 45 -2.366 -1.286 5.471 344 H GLN 46 H GLN 46 -5.893 -4.128 6.910 345 HA GLN 46 HA GLN 46 -8.767 -4.442 6.441 346 1HB GLN 46 2HB GLN 46 -8.000 -5.217 8.562 347 2HB GLN 46 1HB GLN 46 -7.208 -3.690 8.891 348 1HG GLN 46 2HG GLN 46 -9.165 -2.630 9.416 349 2HG GLN 46 1HG GLN 46 -10.113 -3.607 8.313 350 1HE2 GLN 46 1HE2 GLN 46 -10.381 -5.902 8.865 351 2HE2 GLN 46 2HE2 GLN 46 -10.626 -6.331 10.543 352 H VAL 47 H VAL 47 -7.298 -2.506 4.911 353 HA VAL 47 HA VAL 47 -7.729 0.110 5.941 354 HB VAL 47 HB VAL 47 -7.412 0.839 3.631 355 1HG1 VAL 47 1HG1 VAL 47 -5.456 0.425 5.029 356 2HG1 VAL 47 2HG1 VAL 47 -5.473 -1.305 4.538 357 3HG1 VAL 47 3HG1 VAL 47 -5.126 -0.029 3.320 358 1HG2 VAL 47 1HG2 VAL 47 -7.405 -2.121 2.984 359 2HG2 VAL 47 2HG2 VAL 47 -8.638 -0.918 2.468 360 3HG2 VAL 47 3HG2 VAL 47 -6.954 -0.801 1.849 361 H LYS 48 H LYS 48 -9.231 1.711 5.101 362 HA LYS 48 HA LYS 48 -11.880 0.463 4.651 363 1HB LYS 48 2HB LYS 48 -11.011 2.516 6.522 364 2HB LYS 48 1HB LYS 48 -12.471 2.920 5.643 365 1HG LYS 48 2HG LYS 48 -13.252 1.779 7.539 366 2HG LYS 48 1HG LYS 48 -13.275 0.564 6.276 367 1HD LYS 48 2HD LYS 48 -12.296 -0.483 8.168 368 2HD LYS 48 1HD LYS 48 -10.972 -0.128 7.077 369 1HE LYS 48 2HE LYS 48 -9.966 1.029 8.703 370 2HE LYS 48 1HE LYS 48 -11.320 2.142 8.731 371 1HZ LYS 48 1HZ LYS 48 -12.423 0.686 10.266 372 2HZ LYS 48 2HZ LYS 48 -11.144 -0.365 10.240 373 3HZ LYS 48 3HZ LYS 48 -10.954 1.154 10.869 374 HA PRO 49 HA PRO 49 -12.211 2.628 0.950 375 1HB PRO 49 2HB PRO 49 -14.928 3.069 0.799 376 2HB PRO 49 1HB PRO 49 -14.131 1.560 0.402 377 1HG PRO 49 2HG PRO 49 -15.751 2.234 2.744 378 2HG PRO 49 1HG PRO 49 -15.312 0.657 2.120 379 1HD PRO 49 2HD PRO 49 -14.191 1.989 4.365 380 2HD PRO 49 1HD PRO 49 -13.674 0.465 3.672 381 H GLY 50 H GLY 50 -11.621 4.597 0.446 382 1HA GLY 50 2HA GLY 50 -12.078 6.941 0.234 383 2HA GLY 50 1HA GLY 50 -13.043 6.876 1.695 384 H GLU 51 H GLU 51 -10.193 5.085 1.901 385 HA GLU 51 HA GLU 51 -8.960 7.233 3.522 386 1HB GLU 51 2HB GLU 51 -9.240 4.378 3.896 387 2HB GLU 51 1HB GLU 51 -7.581 4.913 4.081 388 1HG GLU 51 2HG GLU 51 -8.303 5.286 6.216 389 2HG GLU 51 1HG GLU 51 -8.766 6.821 5.510 390 H SER 52 H SER 52 -6.508 7.025 3.665 391 HA SER 52 HA SER 52 -5.417 6.494 0.960 392 1HB SER 52 2HB SER 52 -3.876 8.544 1.670 393 2HB SER 52 1HB SER 52 -5.356 8.744 0.753 394 HG SER 52 HG SER 52 -5.238 10.176 2.550 395 H LEU 53 H LEU 53 -3.661 5.309 0.906 396 HA LEU 53 HA LEU 53 -1.944 5.222 3.290 397 1HB LEU 53 2HB LEU 53 -3.516 3.428 3.616 398 2HB LEU 53 1HB LEU 53 -3.127 2.781 2.035 399 HG LEU 53 HG LEU 53 -0.843 2.362 2.818 400 1HD1 LEU 53 1HD1 LEU 53 -0.675 4.039 4.568 401 2HD1 LEU 53 2HD1 LEU 53 -1.927 3.175 5.525 402 3HD1 LEU 53 3HD1 LEU 53 -0.331 2.403 5.228 403 1HD2 LEU 53 1HD2 LEU 53 -3.031 1.030 4.430 404 2HD2 LEU 53 2HD2 LEU 53 -2.467 0.555 2.790 405 3HD2 LEU 53 3HD2 LEU 53 -1.366 0.391 4.202 406 H GLU 54 H GLU 54 0.103 4.034 2.861 407 HA GLU 54 HA GLU 54 1.181 5.061 0.379 408 1HB GLU 54 2HB GLU 54 2.248 4.021 2.874 409 2HB GLU 54 1HB GLU 54 3.168 3.529 1.466 410 1HG GLU 54 2HG GLU 54 4.188 5.530 1.722 411 2HG GLU 54 1HG GLU 54 2.762 6.157 0.920 412 H VAL 55 H VAL 55 1.623 4.072 -1.452 413 HA VAL 55 HA VAL 55 0.904 1.206 -1.596 414 HB VAL 55 HB VAL 55 0.702 3.472 -3.461 415 1HG1 VAL 55 1HG1 VAL 55 2.191 1.994 -4.704 416 2HG1 VAL 55 2HG1 VAL 55 1.072 0.618 -4.409 417 3HG1 VAL 55 3HG1 VAL 55 0.547 2.001 -5.432 418 1HG2 VAL 55 1HG2 VAL 55 -1.034 1.047 -2.928 419 2HG2 VAL 55 2HG2 VAL 55 -1.277 2.700 -2.264 420 3HG2 VAL 55 3HG2 VAL 55 -1.446 2.406 -4.030 421 H ILE 56 H ILE 56 2.332 -0.303 -2.013 422 HA ILE 56 HA ILE 56 5.109 0.576 -2.391 423 HB ILE 56 HB ILE 56 4.108 -2.175 -1.826 424 1HG1 ILE 56 2HG1 ILE 56 4.789 0.049 0.044 425 2HG1 ILE 56 1HG1 ILE 56 3.343 -0.939 -0.003 426 1HG2 ILE 56 1HG2 ILE 56 6.351 -2.152 -2.761 427 2HG2 ILE 56 2HG2 ILE 56 6.857 -0.943 -1.529 428 3HG2 ILE 56 3HG2 ILE 56 6.397 -2.605 -1.021 429 1HD1 ILE 56 1HG1 ILE 56 4.650 -2.923 0.683 430 2HD1 ILE 56 2HG1 ILE 56 6.133 -1.909 0.732 431 3HD1 ILE 56 3HG1 ILE 56 4.792 -1.595 1.887 432 H GLN 57 H GLN 57 5.461 -2.306 -3.467 433 HA GLN 57 HA GLN 57 5.201 -1.467 -6.276 434 1HB GLN 57 2HB GLN 57 6.784 -3.633 -4.946 435 2HB GLN 57 1HB GLN 57 6.613 -3.527 -6.687 436 1HG GLN 57 2HG GLN 57 7.707 -1.338 -4.926 437 2HG GLN 57 1HG GLN 57 8.682 -2.442 -5.876 438 1HE2 GLN 57 1HE2 GLN 57 8.407 -2.487 -8.177 439 2HE2 GLN 57 2HE2 GLN 57 7.968 -1.026 -9.033 440 H THR 58 H THR 58 4.431 -2.908 -7.898 441 HA THR 58 HA THR 58 1.920 -4.053 -7.166 442 HB THR 58 HB THR 58 2.092 -4.845 -9.658 443 HG1 THR 58 HG1 THR 58 3.869 -3.679 -10.640 444 1HG2 THR 58 1HG2 THR 58 0.926 -2.686 -8.946 445 2HG2 THR 58 2HG2 THR 58 2.529 -1.877 -9.038 446 3HG2 THR 58 3HG2 THR 58 1.777 -2.555 -10.524 447 H THR 59 H THR 59 1.446 -5.922 -6.335 448 HA THR 59 HA THR 59 3.353 -7.850 -5.648 449 HB THR 59 HB THR 59 0.362 -7.824 -5.815 450 HG1 THR 59 HG1 THR 59 0.849 -8.036 -3.536 451 1HG2 THR 59 1HG2 THR 59 1.108 -10.217 -6.308 452 2HG2 THR 59 2HG2 THR 59 2.100 -10.137 -4.810 453 3HG2 THR 59 3HG2 THR 59 0.308 -10.030 -4.708 454 H ASP 60 H ASP 60 0.753 -8.518 -7.950 455 HA ASP 60 HA ASP 60 2.655 -10.220 -9.470 456 1HB ASP 60 2HB ASP 60 0.782 -11.499 -8.840 457 2HB ASP 60 1HB ASP 60 -0.328 -10.197 -9.216 458 H ASP 61 H ASP 61 -0.378 -9.044 -10.681 459 HA ASP 61 HA ASP 61 1.094 -7.373 -12.663 460 1HB ASP 61 2HB ASP 61 -1.510 -8.834 -13.019 461 2HB ASP 61 1HB ASP 61 -0.711 -7.846 -14.226 462 H THR 62 H THR 62 -2.120 -7.882 -11.228 463 HA THR 62 HA THR 62 -2.415 -4.929 -11.114 464 HB THR 62 HB THR 62 -4.805 -6.722 -11.251 465 HG1 THR 62 HG1 THR 62 -4.414 -6.682 -13.558 466 1HG2 THR 62 1HG2 THR 62 -5.020 -4.179 -11.134 467 2HG2 THR 62 2HG2 THR 62 -4.059 -4.103 -12.651 468 3HG2 THR 62 3HG2 THR 62 -5.677 -4.885 -12.651 469 H LYS 63 H LYS 63 -1.172 -5.328 -9.089 470 HA LYS 63 HA LYS 63 -3.060 -5.307 -6.904 471 1HB LYS 63 2HB LYS 63 -2.783 -7.704 -7.125 472 2HB LYS 63 1HB LYS 63 -1.044 -7.529 -6.999 473 1HG LYS 63 2HG LYS 63 -1.218 -7.666 -4.778 474 2HG LYS 63 1HG LYS 63 -2.159 -6.188 -4.781 475 1HD LYS 63 2HD LYS 63 -3.794 -7.474 -3.908 476 2HD LYS 63 1HD LYS 63 -4.023 -8.020 -5.557 477 1HE LYS 63 2HE LYS 63 -2.939 -10.027 -5.186 478 2HE LYS 63 1HE LYS 63 -1.987 -9.387 -3.862 479 1HZ LYS 63 1HZ LYS 63 -3.963 -9.338 -2.528 480 2HZ LYS 63 2HZ LYS 63 -4.863 -9.943 -3.779 481 3HZ LYS 63 3HZ LYS 63 -3.681 -10.871 -3.084 482 H VAL 64 H VAL 64 -2.466 -3.911 -5.436 483 HA VAL 64 HA VAL 64 0.397 -3.134 -5.401 484 HB VAL 64 HB VAL 64 -0.169 -0.879 -5.163 485 1HG1 VAL 64 1HG1 VAL 64 -0.285 -1.669 -7.467 486 2HG1 VAL 64 2HG1 VAL 64 -2.021 -2.079 -7.239 487 3HG1 VAL 64 3HG1 VAL 64 -1.487 -0.363 -7.181 488 1HG2 VAL 64 1HG2 VAL 64 -3.062 -1.730 -4.870 489 2HG2 VAL 64 2HG2 VAL 64 -2.000 -1.093 -3.567 490 3HG2 VAL 64 3HG2 VAL 64 -2.473 -0.032 -4.939 491 H LEU 65 H LEU 65 1.410 -3.333 -3.563 492 HA LEU 65 HA LEU 65 -0.175 -4.078 -1.216 493 1HB LEU 65 2HB LEU 65 1.475 -5.515 -1.029 494 2HB LEU 65 1HB LEU 65 2.462 -4.641 -2.183 495 HG LEU 65 HG LEU 65 2.867 -3.077 -0.132 496 1HD1 LEU 65 1HD1 LEU 65 1.334 -4.179 1.396 497 2HD1 LEU 65 2HD1 LEU 65 2.236 -5.722 1.196 498 3HD1 LEU 65 3HD1 LEU 65 3.025 -4.315 1.991 499 1HD2 LEU 65 1HD2 LEU 65 4.260 -5.737 -0.512 500 2HD2 LEU 65 2HD2 LEU 65 4.622 -4.204 -1.379 501 3HD2 LEU 65 3HD2 LEU 65 4.924 -4.330 0.389 502 H CYS 66 H CYS 66 -0.794 -2.738 0.264 503 HA CYS 66 HA CYS 66 0.422 -0.057 0.300 504 1HB CYS 66 2HB CYS 66 -2.010 -0.990 1.797 505 2HB CYS 66 1HB CYS 66 -1.482 0.664 1.561 506 HG CYS 66 HG CYS 66 -3.690 0.188 -0.209 507 H ARG 67 H ARG 67 1.056 0.937 2.271 508 HA ARG 67 HA ARG 67 1.735 -0.973 4.428 509 1HB ARG 67 2HB ARG 67 3.649 -0.282 2.691 510 2HB ARG 67 1HB ARG 67 3.764 1.073 3.794 511 1HG ARG 67 2HG ARG 67 3.688 -0.879 5.597 512 2HG ARG 67 1HG ARG 67 4.351 -1.798 4.260 513 1HD ARG 67 2HD ARG 67 6.320 -0.613 4.244 514 2HD ARG 67 1HD ARG 67 5.570 0.848 4.854 515 HE ARG 67 HE ARG 67 5.460 -1.178 6.867 516 1HH1 ARG 67 2HH1 ARG 67 7.793 0.978 5.266 517 2HH1 ARG 67 HH22 ARG 67 8.874 1.025 6.640 518 1HH2 ARG 67 1HH1 ARG 67 6.858 -1.108 8.625 519 2HH2 ARG 67 2HH1 ARG 67 8.334 -0.171 8.561 520 H ASN 68 H ASN 68 1.746 -0.172 6.464 521 HA ASN 68 HA ASN 68 0.914 2.679 6.725 522 1HB ASN 68 2HB ASN 68 0.001 1.602 9.003 523 2HB ASN 68 1HB ASN 68 -0.976 1.702 7.552 524 1HD2 ASN 68 1HD2 ASN 68 1.597 -0.354 8.882 525 2HD2 ASN 68 2HD2 ASN 68 0.842 -1.892 8.533 526 H GLU 69 H GLU 69 1.786 3.871 8.374 527 HA GLU 69 HA GLU 69 4.423 3.326 9.116 528 1HB GLU 69 2HB GLU 69 2.604 5.406 9.531 529 2HB GLU 69 1HB GLU 69 3.177 4.941 11.120 530 1HG GLU 69 2HG GLU 69 4.925 5.628 8.761 531 2HG GLU 69 1HG GLU 69 4.603 6.677 10.127 532 H GLU 70 H GLU 70 1.564 1.960 10.251 533 HA GLU 70 HA GLU 70 2.225 1.405 12.936 534 1HB GLU 70 2HB GLU 70 0.019 1.011 11.613 535 2HB GLU 70 1HB GLU 70 0.708 -0.572 11.314 536 1HG GLU 70 2HG GLU 70 -0.673 -0.688 13.292 537 2HG GLU 70 1HG GLU 70 1.006 -0.854 13.766 538 H GLY 71 H GLY 71 3.711 0.429 10.115 539 1HA GLY 71 2HA GLY 71 5.640 -0.869 9.917 540 2HA GLY 71 1HA GLY 71 5.461 -1.381 11.583 541 H LYS 72 H LYS 72 2.810 -1.568 9.360 542 HA LYS 72 HA LYS 72 3.215 -4.495 9.162 543 1HB LYS 72 2HB LYS 72 1.511 -4.495 10.674 544 2HB LYS 72 1HB LYS 72 0.830 -2.997 10.072 545 1HG LYS 72 2HG LYS 72 0.060 -4.178 8.049 546 2HG LYS 72 1HG LYS 72 0.705 -5.675 8.693 547 1HD LYS 72 2HD LYS 72 -1.523 -5.824 9.315 548 2HD LYS 72 1HD LYS 72 -0.803 -5.121 10.750 549 1HE LYS 72 2HE LYS 72 -2.036 -3.467 8.558 550 2HE LYS 72 1HE LYS 72 -2.933 -4.015 9.959 551 1HZ LYS 72 1HZ LYS 72 -1.367 -2.872 11.349 552 2HZ LYS 72 2HZ LYS 72 -0.519 -2.354 10.024 553 3HZ LYS 72 3HZ LYS 72 -2.065 -1.819 10.279 554 H TYR 73 H TYR 73 2.605 -5.511 7.293 555 HA TYR 73 HA TYR 73 2.099 -3.655 5.006 556 1HB TYR 73 2HB TYR 73 3.712 -6.178 5.311 557 2HB TYR 73 1HB TYR 73 3.328 -5.486 3.748 558 HD1 TYR 73 HD1 TYR 73 4.944 -4.629 6.995 559 HD2 TYR 73 HD2 TYR 73 4.760 -3.919 2.790 560 HE1 TYR 73 HE1 TYR 73 6.981 -3.126 7.153 561 HE2 TYR 73 HE2 TYR 73 6.800 -2.420 2.962 562 HH TYR 73 HH TYR 73 8.277 -1.574 4.280 563 H GLY 74 H GLY 74 0.813 -4.412 3.299 564 1HA GLY 74 2HA GLY 74 -0.564 -6.970 3.551 565 2HA GLY 74 1HA GLY 74 -1.582 -5.571 3.827 566 H TYR 75 H TYR 75 -2.031 -7.388 1.774 567 HA TYR 75 HA TYR 75 -1.101 -6.003 -0.685 568 1HB TYR 75 2HB TYR 75 -2.272 -8.673 0.012 569 2HB TYR 75 1HB TYR 75 -2.264 -8.108 -1.647 570 HD1 TYR 75 HD1 TYR 75 0.318 -6.840 -1.949 571 HD2 TYR 75 HD2 TYR 75 -0.717 -10.392 0.179 572 HE1 TYR 75 HE1 TYR 75 2.687 -7.706 -2.227 573 HE2 TYR 75 HE2 TYR 75 1.654 -11.245 -0.106 574 HH TYR 75 HH TYR 75 3.608 -10.831 -0.913 575 H VAL 76 H VAL 76 -2.567 -5.409 -2.308 576 HA VAL 76 HA VAL 76 -5.403 -5.278 -1.481 577 HB VAL 76 HB VAL 76 -4.148 -2.956 -2.831 578 1HG1 VAL 76 1HG1 VAL 76 -6.585 -3.049 -2.760 579 2HG1 VAL 76 2HG1 VAL 76 -6.525 -3.240 -0.973 580 3HG1 VAL 76 3HG1 VAL 76 -5.969 -1.708 -1.733 581 1HG2 VAL 76 1HG2 VAL 76 -4.183 -3.406 0.165 582 2HG2 VAL 76 2HG2 VAL 76 -2.725 -3.324 -0.884 583 3HG2 VAL 76 3HG2 VAL 76 -3.751 -1.866 -0.656 584 H LEU 77 H LEU 77 -6.734 -6.019 -2.934 585 HA LEU 77 HA LEU 77 -5.689 -6.841 -5.498 586 1HB LEU 77 2HB LEU 77 -7.583 -7.830 -3.900 587 2HB LEU 77 1HB LEU 77 -8.575 -6.951 -5.046 588 HG LEU 77 HG LEU 77 -6.850 -9.317 -5.470 589 1HD1 LEU 77 1HD1 LEU 77 -9.201 -9.702 -4.997 590 2HD1 LEU 77 2HD1 LEU 77 -9.657 -8.613 -6.352 591 3HD1 LEU 77 3HD1 LEU 77 -8.814 -10.164 -6.691 592 1HD2 LEU 77 1HD2 LEU 77 -7.695 -7.401 -7.656 593 2HD2 LEU 77 2HD2 LEU 77 -6.014 -7.735 -7.113 594 3HD2 LEU 77 3HD2 LEU 77 -6.974 -9.028 -7.914 595 H ARG 78 H ARG 78 -6.124 -6.096 -7.505 596 HA ARG 78 HA ARG 78 -6.425 -3.317 -7.804 597 1HB ARG 78 2HB ARG 78 -6.670 -3.734 -10.177 598 2HB ARG 78 1HB ARG 78 -5.428 -4.780 -9.519 599 1HG ARG 78 2HG ARG 78 -6.531 -6.577 -10.250 600 2HG ARG 78 1HG ARG 78 -7.933 -6.117 -9.304 601 1HD ARG 78 2HD ARG 78 -7.843 -4.427 -11.582 602 2HD ARG 78 1HD ARG 78 -7.626 -6.075 -12.135 603 HE ARG 78 HE ARG 78 -9.722 -6.302 -10.378 604 1HH1 ARG 78 2HH1 ARG 78 -9.121 -4.193 -13.180 605 2HH1 ARG 78 HH22 ARG 78 -10.817 -4.037 -13.578 606 1HH2 ARG 78 1HH1 ARG 78 -11.897 -6.093 -10.902 607 2HH2 ARG 78 2HH1 ARG 78 -12.402 -5.127 -12.270 608 H SER 79 H SER 79 -8.742 -5.816 -7.409 609 HA SER 79 HA SER 79 -11.005 -4.812 -8.649 610 1HB SER 79 2HB SER 79 -11.147 -6.914 -7.565 611 2HB SER 79 1HB SER 79 -10.733 -6.214 -6.013 612 HG SER 79 HG SER 79 -12.988 -6.626 -6.215 613 H TYR 80 H TYR 80 -10.035 -4.167 -5.293 614 HA TYR 80 HA TYR 80 -11.557 -1.602 -5.442 615 1HB TYR 80 2HB TYR 80 -11.509 -1.995 -2.883 616 2HB TYR 80 1HB TYR 80 -12.609 -2.952 -3.855 617 HD1 TYR 80 HD1 TYR 80 -9.419 -3.008 -2.005 618 HD2 TYR 80 HD2 TYR 80 -12.382 -5.323 -4.023 619 HE1 TYR 80 HE1 TYR 80 -8.400 -5.137 -1.073 620 HE2 TYR 80 HE2 TYR 80 -11.354 -7.444 -3.084 621 HH TYR 80 HH TYR 80 -9.791 -8.268 -1.853 622 H LEU 81 H LEU 81 -9.589 -0.661 -6.359 623 HA LEU 81 HA LEU 81 -8.000 0.529 -4.288 624 1HB LEU 81 2HB LEU 81 -6.759 -1.451 -4.282 625 2HB LEU 81 1HB LEU 81 -6.733 -1.528 -6.032 626 HG LEU 81 HG LEU 81 -4.629 -0.836 -4.710 627 1HD1 LEU 81 1HD1 LEU 81 -4.739 -0.934 -7.134 628 2HD1 LEU 81 2HD1 LEU 81 -5.552 0.670 -7.167 629 3HD1 LEU 81 3HD1 LEU 81 -3.850 0.536 -6.601 630 1HD2 LEU 81 1HD2 LEU 81 -6.107 1.802 -4.836 631 2HD2 LEU 81 2HD2 LEU 81 -5.642 0.903 -3.350 632 3HD2 LEU 81 3HD2 LEU 81 -4.371 1.596 -4.417 633 H ALA 82 H ALA 82 -7.010 2.381 -4.910 634 HA ALA 82 HA ALA 82 -8.097 3.721 -7.122 635 1HB ALA 82 1HB ALA 82 -7.150 4.880 -5.182 636 2HB ALA 82 2HB ALA 82 -5.513 4.287 -5.633 637 3HB ALA 82 3HB ALA 82 -6.376 5.445 -6.704 638 H ASP 83 H ASP 83 -6.612 4.805 -8.818 639 HA ASP 83 HA ASP 83 -5.881 2.850 -10.694 640 1HB ASP 83 2HB ASP 83 -5.488 5.739 -10.398 641 2HB ASP 83 1HB ASP 83 -4.292 4.934 -11.394 Start of MODEL 10 1 H GLU 7 H1 GLU 7 10.508 -6.548 12.996 2 HA GLU 7 HA GLU 7 9.709 -6.571 15.185 3 1HB GLU 7 2HB GLU 7 8.138 -4.397 14.231 4 2HB GLU 7 1HB GLU 7 7.078 -5.640 14.864 5 1HG GLU 7 2HG GLU 7 9.488 -4.744 16.404 6 2HG GLU 7 1HG GLU 7 7.980 -3.859 16.500 7 H LYS 8 H LYS 8 7.500 -7.682 15.844 8 HA LYS 8 HA LYS 8 7.437 -10.078 14.326 9 1HB LYS 8 2HB LYS 8 5.816 -9.023 16.587 10 2HB LYS 8 1HB LYS 8 5.347 -10.506 15.780 11 1HG LYS 8 2HG LYS 8 7.372 -11.583 16.361 12 2HG LYS 8 1HG LYS 8 8.131 -10.072 16.822 13 1HD LYS 8 2HD LYS 8 5.689 -10.637 18.318 14 2HD LYS 8 1HD LYS 8 6.938 -11.844 18.551 15 1HE LYS 8 2HE LYS 8 7.349 -8.875 18.879 16 2HE LYS 8 1HE LYS 8 7.066 -9.990 20.200 17 1HZ LYS 8 1HZ LYS 8 9.046 -11.162 19.570 18 2HZ LYS 8 2HZ LYS 8 9.313 -10.108 18.321 19 3HZ LYS 8 3HZ LYS 8 9.392 -9.574 19.887 20 H GLU 9 H GLU 9 6.003 -7.074 13.879 21 HA GLU 9 HA GLU 9 3.673 -8.004 12.441 22 1HB GLU 9 2HB GLU 9 4.829 -5.414 13.155 23 2HB GLU 9 1HB GLU 9 3.983 -5.442 11.621 24 1HG GLU 9 2HG GLU 9 2.067 -5.252 12.759 25 2HG GLU 9 1HG GLU 9 2.346 -6.865 13.384 26 H GLU 10 H GLU 10 6.876 -6.806 11.617 27 HA GLU 10 HA GLU 10 6.437 -6.892 8.786 28 1HB GLU 10 2HB GLU 10 8.156 -5.461 9.521 29 2HB GLU 10 1HB GLU 10 8.922 -6.734 10.450 30 1HG GLU 10 2HG GLU 10 10.069 -7.475 8.668 31 2HG GLU 10 1HG GLU 10 8.651 -7.427 7.640 32 H LYS 11 H LYS 11 7.733 -9.116 11.163 33 HA LYS 11 HA LYS 11 8.680 -11.051 9.323 34 1HB LYS 11 2HB LYS 11 8.098 -10.994 12.207 35 2HB LYS 11 1HB LYS 11 8.172 -12.571 11.447 36 1HG LYS 11 2HG LYS 11 10.329 -10.527 11.029 37 2HG LYS 11 1HG LYS 11 10.355 -11.615 12.401 38 1HD LYS 11 2HD LYS 11 11.406 -13.068 11.052 39 2HD LYS 11 1HD LYS 11 9.855 -13.297 10.270 40 1HE LYS 11 2HE LYS 11 10.560 -12.286 8.396 41 2HE LYS 11 1HE LYS 11 11.196 -10.923 9.294 42 1HZ LYS 11 1HZ LYS 11 13.153 -12.206 9.762 43 2HZ LYS 11 2HZ LYS 11 12.552 -13.494 8.913 44 3HZ LYS 11 3HZ LYS 11 12.921 -12.085 8.127 45 H ASP 12 H ASP 12 5.555 -10.439 10.756 46 HA ASP 12 HA ASP 12 4.253 -12.812 9.895 47 1HB ASP 12 2HB ASP 12 3.121 -11.451 11.465 48 2HB ASP 12 1HB ASP 12 3.260 -10.037 10.440 49 H PHE 13 H PHE 13 4.723 -9.639 8.417 50 HA PHE 13 HA PHE 13 3.195 -10.145 6.053 51 1HB PHE 13 2HB PHE 13 3.591 -7.919 6.348 52 2HB PHE 13 1HB PHE 13 5.169 -8.194 7.058 53 HD1 PHE 13 HD1 PHE 13 3.332 -7.624 3.981 54 HD2 PHE 13 HD2 PHE 13 7.137 -8.431 5.651 55 HE1 PHE 13 HE1 PHE 13 4.418 -6.969 1.821 56 HE2 PHE 13 HE2 PHE 13 8.223 -7.776 3.492 57 HZ PHE 13 HZ PHE 13 6.850 -7.054 1.602 58 H ARG 14 H ARG 14 6.694 -10.141 6.684 59 HA ARG 14 HA ARG 14 7.491 -11.001 4.117 60 1HB ARG 14 2HB ARG 14 9.270 -10.220 5.348 61 2HB ARG 14 1HB ARG 14 8.754 -11.042 6.807 62 1HG ARG 14 2HG ARG 14 9.568 -13.122 6.054 63 2HG ARG 14 1HG ARG 14 9.697 -12.565 4.398 64 1HD ARG 14 2HD ARG 14 11.644 -11.361 4.818 65 2HD ARG 14 1HD ARG 14 11.314 -11.237 6.535 66 HE ARG 14 HE ARG 14 11.617 -13.945 6.160 67 1HH1 ARG 14 2HH1 ARG 14 13.632 -11.124 5.360 68 2HH1 ARG 14 HH22 ARG 14 15.135 -12.010 5.491 69 1HH2 ARG 14 1HH1 ARG 14 13.554 -15.071 6.325 70 2HH2 ARG 14 2HH1 ARG 14 15.084 -14.271 6.044 71 H LYS 15 H LYS 15 6.235 -12.701 6.859 72 HA LYS 15 HA LYS 15 7.096 -15.300 6.273 73 1HB LYS 15 2HB LYS 15 6.110 -15.281 8.300 74 2HB LYS 15 1HB LYS 15 4.879 -14.133 7.812 75 1HG LYS 15 2HG LYS 15 4.669 -16.709 6.453 76 2HG LYS 15 1HG LYS 15 4.475 -16.820 8.191 77 1HD LYS 15 2HD LYS 15 2.581 -15.485 8.199 78 2HD LYS 15 1HD LYS 15 3.006 -14.698 6.692 79 1HE LYS 15 2HE LYS 15 1.171 -16.144 6.210 80 2HE LYS 15 1HE LYS 15 2.599 -16.913 5.547 81 1HZ LYS 15 1HZ LYS 15 2.713 -18.276 7.501 82 2HZ LYS 15 2HZ LYS 15 1.364 -17.550 8.128 83 3HZ LYS 15 3HZ LYS 15 1.249 -18.464 6.752 84 H LYS 16 H LYS 16 4.017 -13.788 5.366 85 HA LYS 16 HA LYS 16 3.596 -15.865 3.362 86 1HB LYS 16 2HB LYS 16 1.816 -14.771 4.888 87 2HB LYS 16 1HB LYS 16 1.810 -13.509 3.673 88 1HG LYS 16 2HG LYS 16 0.112 -15.022 3.019 89 2HG LYS 16 1HG LYS 16 1.468 -15.355 1.960 90 1HD LYS 16 2HD LYS 16 2.131 -17.182 3.578 91 2HD LYS 16 1HD LYS 16 0.584 -16.936 4.363 92 1HE LYS 16 2HE LYS 16 -0.475 -18.141 2.801 93 2HE LYS 16 1HE LYS 16 0.245 -17.198 1.512 94 1HZ LYS 16 1HZ LYS 16 2.200 -18.555 1.675 95 2HZ LYS 16 2HZ LYS 16 1.520 -19.446 2.894 96 3HZ LYS 16 3HZ LYS 16 0.871 -19.494 1.371 97 H PHE 17 H PHE 17 4.642 -12.576 3.595 98 HA PHE 17 HA PHE 17 4.564 -12.147 0.696 99 1HB PHE 17 2HB PHE 17 5.472 -10.600 3.102 100 2HB PHE 17 1HB PHE 17 5.765 -10.022 1.474 101 HD1 PHE 17 HD1 PHE 17 4.268 -8.501 0.646 102 HD2 PHE 17 HD2 PHE 17 2.923 -11.348 3.475 103 HE1 PHE 17 HE1 PHE 17 1.986 -7.470 0.599 104 HE2 PHE 17 HE2 PHE 17 0.644 -10.314 3.432 105 HZ PHE 17 HZ PHE 17 0.202 -8.388 1.994 106 H LYS 18 H LYS 18 6.187 -14.342 1.844 107 HA LYS 18 HA LYS 18 8.838 -13.980 2.125 108 1HB LYS 18 2HB LYS 18 7.308 -16.123 1.539 109 2HB LYS 18 1HB LYS 18 8.283 -16.001 0.088 110 1HG LYS 18 2HG LYS 18 9.656 -15.768 2.713 111 2HG LYS 18 1HG LYS 18 9.120 -17.357 2.204 112 1HD LYS 18 2HD LYS 18 10.847 -17.535 0.797 113 2HD LYS 18 1HD LYS 18 10.403 -16.034 0.009 114 1HE LYS 18 2HE LYS 18 11.512 -15.058 2.261 115 2HE LYS 18 1HE LYS 18 12.430 -16.541 2.096 116 1HZ LYS 18 1HZ LYS 18 12.990 -15.889 -0.130 117 2HZ LYS 18 2HZ LYS 18 12.122 -14.488 0.026 118 3HZ LYS 18 3HZ LYS 18 13.475 -14.731 0.950 119 H TYR 19 H TYR 19 7.247 -12.264 0.030 120 HA TYR 19 HA TYR 19 8.746 -12.362 -2.393 121 1HB TYR 19 2HB TYR 19 6.839 -11.141 -2.627 122 2HB TYR 19 1HB TYR 19 6.881 -10.585 -0.966 123 HD1 TYR 19 HD1 TYR 19 9.063 -10.156 -3.976 124 HD2 TYR 19 HD2 TYR 19 6.945 -8.290 -0.775 125 HE1 TYR 19 HE1 TYR 19 9.880 -7.885 -4.751 126 HE2 TYR 19 HE2 TYR 19 7.772 -6.023 -1.560 127 HH TYR 19 HH TYR 19 8.953 -4.971 -3.021 128 H ASP 20 H ASP 20 10.797 -11.892 -2.741 129 HA ASP 20 HA ASP 20 12.217 -10.158 -0.802 130 1HB ASP 20 2HB ASP 20 13.365 -12.199 -1.166 131 2HB ASP 20 1HB ASP 20 13.146 -12.087 -2.901 132 H GLY 21 H GLY 21 11.716 -8.112 -1.385 133 1HA GLY 21 2HA GLY 21 12.864 -7.207 -3.940 134 2HA GLY 21 1HA GLY 21 11.164 -6.879 -3.674 135 H GLU 22 H GLU 22 12.080 -4.651 -3.997 136 HA GLU 22 HA GLU 22 13.231 -3.607 -1.480 137 1HB GLU 22 2HB GLU 22 14.029 -3.140 -4.032 138 2HB GLU 22 1HB GLU 22 12.993 -1.760 -3.728 139 1HG GLU 22 2HG GLU 22 15.102 -2.585 -1.761 140 2HG GLU 22 1HG GLU 22 15.483 -1.544 -3.117 141 H ILE 23 H ILE 23 11.467 -3.525 -0.184 142 HA ILE 23 HA ILE 23 8.987 -2.394 -1.031 143 HB ILE 23 HB ILE 23 9.965 -3.714 1.221 144 1HG1 ILE 23 2HG1 ILE 23 7.145 -2.800 0.943 145 2HG1 ILE 23 1HG1 ILE 23 7.826 -3.965 -0.176 146 1HG2 ILE 23 1HG2 ILE 23 10.338 -1.578 2.317 147 2HG2 ILE 23 2HG2 ILE 23 8.646 -1.090 1.952 148 3HG2 ILE 23 3HG2 ILE 23 8.965 -2.450 3.084 149 1HD1 ILE 23 1HG1 ILE 23 8.428 -5.453 1.704 150 2HD1 ILE 23 2HG1 ILE 23 7.730 -4.258 2.852 151 3HD1 ILE 23 3HG1 ILE 23 6.664 -5.108 1.679 152 H ARG 24 H ARG 24 8.796 -0.435 -1.755 153 HA ARG 24 HA ARG 24 9.571 1.779 -0.020 154 1HB ARG 24 2HB ARG 24 11.570 1.205 -1.546 155 2HB ARG 24 1HB ARG 24 10.587 1.879 -2.830 156 1HG ARG 24 2HG ARG 24 10.860 3.480 -0.350 157 2HG ARG 24 1HG ARG 24 12.263 3.376 -1.395 158 1HD ARG 24 2HD ARG 24 10.552 3.969 -3.283 159 2HD ARG 24 1HD ARG 24 9.584 4.576 -1.955 160 HE ARG 24 HE ARG 24 10.967 6.427 -1.890 161 1HH1 ARG 24 2HH1 ARG 24 12.805 3.688 -3.224 162 2HH1 ARG 24 HH22 ARG 24 14.253 4.633 -3.489 163 1HH2 ARG 24 1HH1 ARG 24 12.835 7.629 -2.237 164 2HH2 ARG 24 2HH1 ARG 24 14.264 6.889 -2.922 165 H VAL 25 H VAL 25 7.820 2.946 0.087 166 HA VAL 25 HA VAL 25 5.758 2.819 -1.880 167 HB VAL 25 HB VAL 25 6.179 4.799 0.322 168 1HG1 VAL 25 1HG1 VAL 25 4.604 5.656 -1.332 169 2HG1 VAL 25 2HG1 VAL 25 3.674 4.120 -1.242 170 3HG1 VAL 25 3HG1 VAL 25 3.752 5.209 0.186 171 1HG2 VAL 25 1HG2 VAL 25 4.596 2.216 0.285 172 2HG2 VAL 25 2HG2 VAL 25 6.124 2.519 1.185 173 3HG2 VAL 25 3HG2 VAL 25 4.625 3.406 1.633 174 H LEU 26 H LEU 26 6.286 3.359 -3.883 175 HA LEU 26 HA LEU 26 7.722 5.881 -4.319 176 1HB LEU 26 2HB LEU 26 8.133 3.586 -5.483 177 2HB LEU 26 1HB LEU 26 6.853 4.143 -6.542 178 HG LEU 26 HG LEU 26 9.623 5.069 -6.266 179 1HD1 LEU 26 1HD1 LEU 26 8.993 3.679 -8.155 180 2HD1 LEU 26 2HD1 LEU 26 7.716 4.861 -8.607 181 3HD1 LEU 26 3HD1 LEU 26 9.450 5.326 -8.710 182 1HD2 LEU 26 1HD2 LEU 26 7.377 6.954 -7.016 183 2HD2 LEU 26 2HD2 LEU 26 8.441 7.075 -5.572 184 3HD2 LEU 26 3HD2 LEU 26 9.132 7.288 -7.219 185 H TYR 27 H TYR 27 4.687 4.298 -5.171 186 HA TYR 27 HA TYR 27 3.533 7.003 -5.699 187 1HB TYR 27 2HB TYR 27 2.213 5.944 -7.428 188 2HB TYR 27 1HB TYR 27 3.906 5.589 -7.708 189 HD1 TYR 27 HD1 TYR 27 0.632 4.211 -7.098 190 HD2 TYR 27 HD2 TYR 27 4.806 3.323 -7.102 191 HE1 TYR 27 HE1 TYR 27 0.110 1.730 -7.155 192 HE2 TYR 27 HE2 TYR 27 4.271 0.844 -7.156 193 HH TYR 27 HH TYR 27 2.705 -0.637 -7.196 194 H SER 28 H SER 28 2.775 7.156 -3.556 195 HA SER 28 HA SER 28 1.113 5.085 -2.426 196 1HB SER 28 2HB SER 28 2.254 6.449 -0.874 197 2HB SER 28 1HB SER 28 1.669 7.918 -1.628 198 HG SER 28 HG SER 28 0.528 7.410 0.306 199 H THR 29 H THR 29 -0.759 4.564 -3.247 200 HA THR 29 HA THR 29 -2.389 6.631 -4.547 201 HB THR 29 HB THR 29 -1.881 4.197 -5.411 202 HG1 THR 29 HG1 THR 29 -3.976 4.434 -6.425 203 1HG2 THR 29 1HG2 THR 29 -2.882 3.053 -3.358 204 2HG2 THR 29 2HG2 THR 29 -4.444 3.843 -3.772 205 3HG2 THR 29 3HG2 THR 29 -3.722 2.636 -4.893 206 H LYS 30 H LYS 30 -4.670 6.820 -4.114 207 HA LYS 30 HA LYS 30 -5.151 6.589 -1.207 208 1HB LYS 30 2HB LYS 30 -6.660 8.347 -3.101 209 2HB LYS 30 1HB LYS 30 -6.613 8.431 -1.351 210 1HG LYS 30 2HG LYS 30 -4.072 8.812 -1.666 211 2HG LYS 30 1HG LYS 30 -4.493 9.202 -3.322 212 1HD LYS 30 2HD LYS 30 -6.119 10.520 -1.246 213 2HD LYS 30 1HD LYS 30 -4.444 11.024 -1.331 214 1HE LYS 30 2HE LYS 30 -5.574 12.486 -2.792 215 2HE LYS 30 1HE LYS 30 -4.837 11.298 -3.848 216 1HZ LYS 30 1HZ LYS 30 -6.920 10.138 -3.917 217 2HZ LYS 30 2HZ LYS 30 -7.617 11.261 -2.920 218 3HZ LYS 30 3HZ LYS 30 -7.112 11.699 -4.435 219 H VAL 31 H VAL 31 -6.813 5.513 -0.365 220 HA VAL 31 HA VAL 31 -8.020 3.511 -2.035 221 HB VAL 31 HB VAL 31 -9.023 4.110 0.681 222 1HG1 VAL 31 1HG1 VAL 31 -9.991 2.230 -0.533 223 2HG1 VAL 31 2HG1 VAL 31 -8.349 1.536 -0.767 224 3HG1 VAL 31 3HG1 VAL 31 -9.049 1.654 0.885 225 1HG2 VAL 31 1HG2 VAL 31 -6.305 2.900 0.112 226 2HG2 VAL 31 2HG2 VAL 31 -6.624 4.477 0.914 227 3HG2 VAL 31 3HG2 VAL 31 -7.115 2.945 1.717 228 H THR 32 H THR 32 -10.092 3.263 -2.724 229 HA THR 32 HA THR 32 -11.571 5.795 -2.956 230 HB THR 32 HB THR 32 -10.962 4.355 -4.970 231 HG1 THR 32 HG1 THR 32 -13.115 4.796 -5.770 232 1HG2 THR 32 1HG2 THR 32 -11.680 2.127 -3.947 233 2HG2 THR 32 2HG2 THR 32 -13.360 2.766 -3.918 234 3HG2 THR 32 3HG2 THR 32 -12.522 2.512 -5.488 235 H THR 33 H THR 33 -14.071 5.332 -3.166 236 HA THR 33 HA THR 33 -14.846 4.498 -0.492 237 HB THR 33 HB THR 33 -15.730 6.536 -1.782 238 HG1 THR 33 HG1 THR 33 -17.782 6.077 -0.754 239 1HG2 THR 33 1HG2 THR 33 -16.375 5.249 -3.892 240 2HG2 THR 33 2HG2 THR 33 -17.561 4.344 -2.887 241 3HG2 THR 33 3HG2 THR 33 -17.755 6.115 -3.130 242 H SER 34 H SER 34 -14.812 3.193 -3.673 243 HA SER 34 HA SER 34 -16.670 1.036 -2.961 244 1HB SER 34 2HB SER 34 -16.939 1.837 -5.174 245 2HB SER 34 1HB SER 34 -15.221 1.716 -5.495 246 HG SER 34 HG SER 34 -16.409 -0.027 -6.416 247 H ILE 35 H ILE 35 -13.825 1.613 -1.906 248 HA ILE 35 HA ILE 35 -12.302 -0.680 -2.715 249 HB ILE 35 HB ILE 35 -11.752 1.634 -1.414 250 1HG1 ILE 35 2HG1 ILE 35 -10.374 -0.339 -2.689 251 2HG1 ILE 35 1HG1 ILE 35 -9.681 1.128 -2.029 252 1HG2 ILE 35 1HG2 ILE 35 -12.556 0.802 0.723 253 2HG2 ILE 35 2HG2 ILE 35 -11.459 -0.616 0.589 254 3HG2 ILE 35 3HG2 ILE 35 -10.773 1.036 0.767 255 1HD1 ILE 35 1HG1 ILE 35 -9.225 -0.022 0.112 256 2HD1 ILE 35 2HG1 ILE 35 -9.937 -1.528 -0.565 257 3HD1 ILE 35 3HG1 ILE 35 -8.423 -0.855 -1.265 258 H THR 36 H THR 36 -11.473 -2.232 -0.980 259 HA THR 36 HA THR 36 -13.741 -3.767 -0.146 260 HB THR 36 HB THR 36 -11.695 -4.871 -0.864 261 HG1 THR 36 HG1 THR 36 -11.534 -6.170 1.075 262 1HG2 THR 36 1HG2 THR 36 -10.050 -3.134 0.031 263 2HG2 THR 36 2HG2 THR 36 -10.466 -3.701 1.686 264 3HG2 THR 36 3HG2 THR 36 -9.658 -4.816 0.530 265 H SER 37 H SER 37 -14.993 -3.442 1.505 266 HA SER 37 HA SER 37 -13.788 -2.216 3.929 267 1HB SER 37 2HB SER 37 -15.346 -0.644 3.889 268 2HB SER 37 1HB SER 37 -15.966 -1.304 2.390 269 HG SER 37 HG SER 37 -17.570 -1.219 4.038 270 H LYS 38 H LYS 38 -15.754 -4.692 2.536 271 HA LYS 38 HA LYS 38 -16.263 -5.805 5.226 272 1HB LYS 38 2HB LYS 38 -18.166 -6.789 4.458 273 2HB LYS 38 1HB LYS 38 -18.105 -5.385 3.412 274 1HG LYS 38 2HG LYS 38 -17.060 -6.716 1.653 275 2HG LYS 38 1HG LYS 38 -17.051 -8.120 2.701 276 1HD LYS 38 2HD LYS 38 -19.044 -8.631 1.805 277 2HD LYS 38 1HD LYS 38 -19.689 -7.304 2.751 278 1HE LYS 38 2HE LYS 38 -20.128 -6.124 0.901 279 2HE LYS 38 1HE LYS 38 -18.479 -6.307 0.338 280 1HZ LYS 38 1HZ LYS 38 -19.068 -8.445 -0.541 281 2HZ LYS 38 2HZ LYS 38 -20.627 -8.271 -0.009 282 3HZ LYS 38 3HZ LYS 38 -20.038 -7.268 -1.187 283 H LYS 39 H LYS 39 -15.105 -6.645 2.000 284 HA LYS 39 HA LYS 39 -14.193 -9.240 2.775 285 1HB LYS 39 2HB LYS 39 -14.474 -7.848 0.388 286 2HB LYS 39 1HB LYS 39 -12.762 -8.198 0.520 287 1HG LYS 39 2HG LYS 39 -13.751 -10.055 -0.596 288 2HG LYS 39 1HG LYS 39 -13.402 -10.584 1.037 289 1HD LYS 39 2HD LYS 39 -15.585 -11.365 0.597 290 2HD LYS 39 1HD LYS 39 -15.807 -9.940 1.591 291 1HE LYS 39 2HE LYS 39 -17.336 -9.499 -0.067 292 2HE LYS 39 1HE LYS 39 -15.918 -8.739 -0.762 293 1HZ LYS 39 1HZ LYS 39 -15.514 -10.737 -2.001 294 2HZ LYS 39 2HZ LYS 39 -16.853 -11.455 -1.344 295 3HZ LYS 39 3HZ LYS 39 -17.021 -10.143 -2.341 296 H TRP 40 H TRP 40 -12.549 -9.837 3.922 297 HA TRP 40 HA TRP 40 -10.133 -8.167 3.942 298 1HB TRP 40 2HB TRP 40 -11.659 -8.869 6.422 299 2HB TRP 40 1HB TRP 40 -10.008 -8.284 6.417 300 HD1 TRP 40 HD1 TRP 40 -12.967 -6.830 7.431 301 HE1 TRP 40 HE1 TRP 40 -9.439 -6.605 3.790 302 HE3 TRP 40 HE3 TRP 40 -13.267 -4.326 6.840 303 HZ2 TRP 40 HZ2 TRP 40 -9.084 -4.420 2.651 304 HZ3 TRP 40 HZ3 TRP 40 -12.100 -2.493 5.012 305 HH2 TRP 40 HH2 TRP 40 -10.346 -2.411 3.211 306 H GLY 41 H GLY 41 -8.375 -9.344 3.803 307 1HA GLY 41 2HA GLY 41 -8.641 -12.253 4.389 308 2HA GLY 41 1HA GLY 41 -7.697 -11.617 3.058 309 H THR 42 H THR 42 -6.704 -13.361 5.019 310 HA THR 42 HA THR 42 -5.372 -12.111 7.149 311 HB THR 42 HB THR 42 -5.462 -14.479 7.170 312 HG1 THR 42 HG1 THR 42 -3.163 -14.913 7.132 313 1HG2 THR 42 1HG2 THR 42 -5.676 -14.798 4.644 314 2HG2 THR 42 2HG2 THR 42 -3.920 -14.428 4.524 315 3HG2 THR 42 3HG2 THR 42 -4.472 -15.895 5.406 316 H ARG 43 H ARG 43 -4.549 -12.384 3.765 317 HA ARG 43 HA ARG 43 -2.004 -10.969 4.236 318 1HB ARG 43 2HB ARG 43 -3.044 -12.718 2.135 319 2HB ARG 43 1HB ARG 43 -2.147 -11.334 1.544 320 1HG ARG 43 2HG ARG 43 -0.393 -12.022 3.332 321 2HG ARG 43 1HG ARG 43 -1.212 -13.571 3.297 322 1HD ARG 43 2HD ARG 43 -0.308 -12.271 0.753 323 2HD ARG 43 1HD ARG 43 0.813 -13.207 1.721 324 HE ARG 43 HE ARG 43 -1.541 -14.752 1.378 325 1HH1 ARG 43 2HH1 ARG 43 1.156 -13.495 -0.572 326 2HH1 ARG 43 HH22 ARG 43 1.073 -14.793 -1.742 327 1HH2 ARG 43 1HH1 ARG 43 -1.637 -16.413 -0.131 328 2HH2 ARG 43 2HH1 ARG 43 -0.530 -16.462 -1.484 329 H ASP 44 H ASP 44 -5.047 -10.087 4.071 330 HA ASP 44 HA ASP 44 -4.621 -7.815 2.206 331 1HB ASP 44 2HB ASP 44 -6.824 -9.470 2.676 332 2HB ASP 44 1HB ASP 44 -7.226 -7.933 3.415 333 H LEU 45 H LEU 45 -5.463 -5.716 2.895 334 HA LEU 45 HA LEU 45 -4.746 -5.268 5.717 335 1HB LEU 45 2HB LEU 45 -3.815 -4.030 3.572 336 2HB LEU 45 1HB LEU 45 -5.187 -2.995 3.914 337 HG LEU 45 HG LEU 45 -4.277 -2.748 6.224 338 1HD1 LEU 45 1HD1 LEU 45 -2.827 -4.696 6.300 339 2HD1 LEU 45 2HD1 LEU 45 -1.818 -4.003 4.983 340 3HD1 LEU 45 3HD1 LEU 45 -1.881 -3.194 6.587 341 1HD2 LEU 45 1HD2 LEU 45 -2.604 -1.703 3.928 342 2HD2 LEU 45 2HD2 LEU 45 -4.104 -0.962 4.587 343 3HD2 LEU 45 3HD2 LEU 45 -2.619 -1.037 5.598 344 H GLN 46 H GLN 46 -6.000 -4.026 7.109 345 HA GLN 46 HA GLN 46 -8.860 -4.372 6.584 346 1HB GLN 46 2HB GLN 46 -8.167 -5.108 8.731 347 2HB GLN 46 1HB GLN 46 -7.339 -3.597 9.049 348 1HG GLN 46 2HG GLN 46 -9.280 -2.471 9.512 349 2HG GLN 46 1HG GLN 46 -10.239 -3.466 8.435 350 1HE2 GLN 46 1HE2 GLN 46 -10.496 -5.764 9.062 351 2HE2 GLN 46 2HE2 GLN 46 -10.778 -6.125 10.750 352 H VAL 47 H VAL 47 -7.372 -2.443 5.058 353 HA VAL 47 HA VAL 47 -7.853 0.183 6.039 354 HB VAL 47 HB VAL 47 -7.450 0.897 3.757 355 1HG1 VAL 47 1HG1 VAL 47 -5.529 0.412 5.179 356 2HG1 VAL 47 2HG1 VAL 47 -5.585 -1.311 4.668 357 3HG1 VAL 47 3HG1 VAL 47 -5.184 -0.031 3.471 358 1HG2 VAL 47 1HG2 VAL 47 -7.514 -2.054 3.073 359 2HG2 VAL 47 2HG2 VAL 47 -8.707 -0.812 2.554 360 3HG2 VAL 47 3HG2 VAL 47 -7.011 -0.734 1.962 361 H LYS 48 H LYS 48 -9.357 1.754 5.168 362 HA LYS 48 HA LYS 48 -11.981 0.471 4.669 363 1HB LYS 48 2HB LYS 48 -11.178 2.418 6.609 364 2HB LYS 48 1HB LYS 48 -12.461 3.048 5.596 365 1HG LYS 48 2HG LYS 48 -13.609 1.961 7.325 366 2HG LYS 48 1HG LYS 48 -13.629 0.793 6.020 367 1HD LYS 48 2HD LYS 48 -13.042 -0.200 8.229 368 2HD LYS 48 1HD LYS 48 -11.805 -0.431 7.010 369 1HE LYS 48 2HE LYS 48 -10.298 0.811 8.140 370 2HE LYS 48 1HE LYS 48 -11.484 2.028 8.563 371 1HZ LYS 48 1HZ LYS 48 -12.289 0.580 10.278 372 2HZ LYS 48 2HZ LYS 48 -11.168 -0.571 9.879 373 3HZ LYS 48 3HZ LYS 48 -10.676 0.886 10.492 374 HA PRO 49 HA PRO 49 -12.245 2.548 0.912 375 1HB PRO 49 2HB PRO 49 -14.963 2.946 0.684 376 2HB PRO 49 1HB PRO 49 -14.135 1.441 0.341 377 1HG PRO 49 2HG PRO 49 -15.822 2.142 2.626 378 2HG PRO 49 1HG PRO 49 -15.345 0.558 2.049 379 1HD PRO 49 2HD PRO 49 -14.299 1.955 4.291 380 2HD PRO 49 1HD PRO 49 -13.743 0.424 3.644 381 H GLY 50 H GLY 50 -11.665 4.514 0.385 382 1HA GLY 50 2HA GLY 50 -12.152 6.846 0.108 383 2HA GLY 50 1HA GLY 50 -13.147 6.800 1.549 384 H GLU 51 H GLU 51 -10.273 5.056 1.845 385 HA GLU 51 HA GLU 51 -9.107 7.253 3.448 386 1HB GLU 51 2HB GLU 51 -9.347 4.400 3.873 387 2HB GLU 51 1HB GLU 51 -7.706 4.973 4.092 388 1HG GLU 51 2HG GLU 51 -9.024 5.047 6.187 389 2HG GLU 51 1HG GLU 51 -8.456 6.630 5.695 390 H SER 52 H SER 52 -6.657 7.087 3.645 391 HA SER 52 HA SER 52 -5.519 6.557 0.955 392 1HB SER 52 2HB SER 52 -3.978 8.596 1.889 393 2HB SER 52 1HB SER 52 -5.287 8.770 0.739 394 HG SER 52 HG SER 52 -5.478 10.226 2.510 395 H LEU 53 H LEU 53 -3.770 5.360 0.900 396 HA LEU 53 HA LEU 53 -2.096 5.197 3.309 397 1HB LEU 53 2HB LEU 53 -3.694 3.415 3.566 398 2HB LEU 53 1HB LEU 53 -3.282 2.797 1.979 399 HG LEU 53 HG LEU 53 -1.022 2.329 2.792 400 1HD1 LEU 53 1HD1 LEU 53 -0.852 3.978 4.568 401 2HD1 LEU 53 2HD1 LEU 53 -2.130 3.118 5.496 402 3HD1 LEU 53 3HD1 LEU 53 -0.541 2.327 5.208 403 1HD2 LEU 53 1HD2 LEU 53 -3.249 1.005 4.355 404 2HD2 LEU 53 2HD2 LEU 53 -2.671 0.547 2.716 405 3HD2 LEU 53 3HD2 LEU 53 -1.591 0.347 4.139 406 H GLU 54 H GLU 54 -0.054 4.004 2.887 407 HA GLU 54 HA GLU 54 1.069 5.065 0.438 408 1HB GLU 54 2HB GLU 54 2.097 3.960 2.929 409 2HB GLU 54 1HB GLU 54 3.041 3.524 1.518 410 1HG GLU 54 2HG GLU 54 2.970 6.006 0.911 411 2HG GLU 54 1HG GLU 54 2.401 6.273 2.546 412 H VAL 55 H VAL 55 1.578 4.093 -1.391 413 HA VAL 55 HA VAL 55 0.831 1.236 -1.591 414 HB VAL 55 HB VAL 55 0.686 3.524 -3.438 415 1HG1 VAL 55 1HG1 VAL 55 2.159 2.020 -4.670 416 2HG1 VAL 55 2HG1 VAL 55 1.009 0.666 -4.393 417 3HG1 VAL 55 3HG1 VAL 55 0.524 2.063 -5.417 418 1HG2 VAL 55 1HG2 VAL 55 -1.106 1.133 -2.935 419 2HG2 VAL 55 2HG2 VAL 55 -1.324 2.789 -2.268 420 3HG2 VAL 55 3HG2 VAL 55 -1.476 2.505 -4.037 421 H ILE 56 H ILE 56 2.264 -0.272 -1.989 422 HA ILE 56 HA ILE 56 5.049 0.602 -2.316 423 HB ILE 56 HB ILE 56 4.027 -2.151 -1.799 424 1HG1 ILE 56 2HG1 ILE 56 4.810 -0.020 0.154 425 2HG1 ILE 56 1HG1 ILE 56 3.247 -0.793 -0.011 426 1HG2 ILE 56 1HG2 ILE 56 6.285 -2.129 -2.698 427 2HG2 ILE 56 2HG2 ILE 56 6.778 -0.937 -1.445 428 3HG2 ILE 56 3HG2 ILE 56 6.301 -2.602 -0.963 429 1HD1 ILE 56 1HG1 ILE 56 4.226 -2.966 0.646 430 2HD1 ILE 56 2HG1 ILE 56 5.830 -2.173 0.815 431 3HD1 ILE 56 3HG1 ILE 56 4.483 -1.720 1.916 432 H GLN 57 H GLN 57 5.415 -2.266 -3.420 433 HA GLN 57 HA GLN 57 5.193 -1.393 -6.223 434 1HB GLN 57 2HB GLN 57 7.343 -2.322 -5.176 435 2HB GLN 57 1HB GLN 57 6.566 -3.886 -5.319 436 1HG GLN 57 2HG GLN 57 6.516 -3.785 -7.655 437 2HG GLN 57 1HG GLN 57 6.722 -2.045 -7.676 438 1HE2 GLN 57 1HE2 GLN 57 8.746 -1.149 -6.973 439 2HE2 GLN 57 2HE2 GLN 57 10.231 -2.032 -7.251 440 H THR 58 H THR 58 4.453 -2.819 -7.871 441 HA THR 58 HA THR 58 1.942 -3.995 -7.182 442 HB THR 58 HB THR 58 2.147 -4.747 -9.682 443 HG1 THR 58 HG1 THR 58 3.920 -3.549 -10.628 444 1HG2 THR 58 1HG2 THR 58 0.952 -2.612 -8.949 445 2HG2 THR 58 2HG2 THR 58 2.548 -1.786 -9.012 446 3HG2 THR 58 3HG2 THR 58 1.818 -2.447 -10.516 447 H THR 59 H THR 59 1.449 -5.898 -6.436 448 HA THR 59 HA THR 59 3.373 -7.814 -5.735 449 HB THR 59 HB THR 59 0.385 -7.816 -5.954 450 HG1 THR 59 HG1 THR 59 0.833 -8.066 -3.671 451 1HG2 THR 59 1HG2 THR 59 1.163 -10.191 -6.478 452 2HG2 THR 59 2HG2 THR 59 2.128 -10.129 -4.962 453 3HG2 THR 59 3HG2 THR 59 0.333 -10.042 -4.890 454 H ASP 60 H ASP 60 0.817 -8.474 -8.089 455 HA ASP 60 HA ASP 60 2.771 -10.109 -9.618 456 1HB ASP 60 2HB ASP 60 0.915 -11.434 -9.007 457 2HB ASP 60 1HB ASP 60 -0.217 -10.159 -9.412 458 H ASP 61 H ASP 61 -0.281 -8.984 -10.828 459 HA ASP 61 HA ASP 61 1.162 -7.246 -12.774 460 1HB ASP 61 2HB ASP 61 -1.020 -9.212 -13.098 461 2HB ASP 61 1HB ASP 61 -1.133 -7.736 -14.035 462 H THR 62 H THR 62 -2.048 -7.849 -11.370 463 HA THR 62 HA THR 62 -2.412 -4.906 -11.212 464 HB THR 62 HB THR 62 -4.784 -6.705 -11.341 465 HG1 THR 62 HG1 THR 62 -4.375 -6.768 -13.644 466 1HG2 THR 62 1HG2 THR 62 -4.972 -4.158 -11.333 467 2HG2 THR 62 2HG2 THR 62 -3.999 -4.156 -12.845 468 3HG2 THR 62 3HG2 THR 62 -5.626 -4.921 -12.824 469 H LYS 63 H LYS 63 -1.155 -5.313 -9.191 470 HA LYS 63 HA LYS 63 -3.042 -5.356 -7.006 471 1HB LYS 63 2HB LYS 63 -2.724 -7.743 -7.255 472 2HB LYS 63 1HB LYS 63 -0.988 -7.540 -7.135 473 1HG LYS 63 2HG LYS 63 -1.188 -7.780 -4.921 474 2HG LYS 63 1HG LYS 63 -2.033 -6.245 -4.890 475 1HD LYS 63 2HD LYS 63 -3.797 -7.381 -4.096 476 2HD LYS 63 1HD LYS 63 -3.974 -8.034 -5.712 477 1HE LYS 63 2HE LYS 63 -1.974 -9.411 -4.067 478 2HE LYS 63 1HE LYS 63 -3.615 -9.541 -3.467 479 1HZ LYS 63 1HZ LYS 63 -4.288 -10.328 -5.615 480 2HZ LYS 63 2HZ LYS 63 -2.737 -10.206 -6.183 481 3HZ LYS 63 3HZ LYS 63 -3.099 -11.298 -4.992 482 H VAL 64 H VAL 64 -2.476 -3.966 -5.521 483 HA VAL 64 HA VAL 64 0.376 -3.148 -5.463 484 HB VAL 64 HB VAL 64 -0.221 -0.900 -5.221 485 1HG1 VAL 64 1HG1 VAL 64 -0.305 -1.682 -7.530 486 2HG1 VAL 64 2HG1 VAL 64 -2.037 -2.114 -7.321 487 3HG1 VAL 64 3HG1 VAL 64 -1.526 -0.392 -7.250 488 1HG2 VAL 64 1HG2 VAL 64 -3.106 -1.788 -4.961 489 2HG2 VAL 64 2HG2 VAL 64 -2.066 -1.144 -3.644 490 3HG2 VAL 64 3HG2 VAL 64 -2.538 -0.083 -5.016 491 H LEU 65 H LEU 65 1.371 -3.363 -3.621 492 HA LEU 65 HA LEU 65 -0.235 -4.110 -1.287 493 1HB LEU 65 2HB LEU 65 1.397 -5.575 -1.131 494 2HB LEU 65 1HB LEU 65 2.420 -4.673 -2.231 495 HG LEU 65 HG LEU 65 2.732 -3.174 -0.088 496 1HD1 LEU 65 1HD1 LEU 65 1.223 -4.431 1.346 497 2HD1 LEU 65 2HD1 LEU 65 2.186 -5.922 1.059 498 3HD1 LEU 65 3HD1 LEU 65 2.911 -4.543 1.954 499 1HD2 LEU 65 1HD2 LEU 65 4.227 -5.751 -0.619 500 2HD2 LEU 65 2HD2 LEU 65 4.541 -4.153 -1.380 501 3HD2 LEU 65 3HD2 LEU 65 4.827 -4.382 0.380 502 H CYS 66 H CYS 66 -0.855 -2.761 0.183 503 HA CYS 66 HA CYS 66 0.347 -0.082 0.216 504 1HB CYS 66 2HB CYS 66 -2.004 -1.057 1.813 505 2HB CYS 66 1HB CYS 66 -1.519 0.606 1.548 506 HG CYS 66 HG CYS 66 -3.790 0.078 -0.124 507 H ARG 67 H ARG 67 0.949 0.929 2.225 508 HA ARG 67 HA ARG 67 1.846 -1.010 4.278 509 1HB ARG 67 2HB ARG 67 3.624 -0.029 2.516 510 2HB ARG 67 1HB ARG 67 3.665 1.238 3.724 511 1HG ARG 67 2HG ARG 67 3.814 -0.869 5.353 512 2HG ARG 67 1HG ARG 67 4.526 -1.591 3.924 513 1HD ARG 67 2HD ARG 67 5.452 1.027 5.095 514 2HD ARG 67 1HD ARG 67 6.180 -0.518 5.489 515 HE ARG 67 HE ARG 67 6.411 -0.646 2.848 516 1HH1 ARG 67 2HH1 ARG 67 6.911 2.191 4.937 517 2HH1 ARG 67 HH22 ARG 67 8.071 2.931 3.858 518 1HH2 ARG 67 1HH1 ARG 67 7.903 0.317 1.470 519 2HH2 ARG 67 2HH1 ARG 67 8.636 1.853 1.874 520 H ASN 68 H ASN 68 1.838 -0.314 6.351 521 HA ASN 68 HA ASN 68 0.780 2.439 6.781 522 1HB ASN 68 2HB ASN 68 -0.125 1.333 8.954 523 2HB ASN 68 1HB ASN 68 -1.005 1.101 7.457 524 1HD2 ASN 68 1HD2 ASN 68 1.410 -0.289 9.609 525 2HD2 ASN 68 2HD2 ASN 68 1.108 -1.970 9.231 526 H GLU 69 H GLU 69 1.659 3.640 8.390 527 HA GLU 69 HA GLU 69 4.326 3.138 9.120 528 1HB GLU 69 2HB GLU 69 4.247 5.087 10.366 529 2HB GLU 69 1HB GLU 69 2.997 5.341 9.165 530 1HG GLU 69 2HG GLU 69 1.422 4.299 10.952 531 2HG GLU 69 1HG GLU 69 2.708 4.701 12.073 532 H GLU 70 H GLU 70 1.546 1.662 10.186 533 HA GLU 70 HA GLU 70 2.103 1.247 12.926 534 1HB GLU 70 2HB GLU 70 0.061 0.563 11.283 535 2HB GLU 70 1HB GLU 70 0.825 -0.992 11.548 536 1HG GLU 70 2HG GLU 70 -0.821 -0.714 13.261 537 2HG GLU 70 1HG GLU 70 0.747 -0.507 14.014 538 H GLY 71 H GLY 71 3.816 0.322 10.242 539 1HA GLY 71 2HA GLY 71 5.854 -0.834 10.244 540 2HA GLY 71 1HA GLY 71 5.514 -1.433 11.856 541 H LYS 72 H LYS 72 2.923 -1.726 9.702 542 HA LYS 72 HA LYS 72 3.665 -4.530 9.105 543 1HB LYS 72 2HB LYS 72 1.977 -4.205 10.994 544 2HB LYS 72 1HB LYS 72 0.853 -3.751 9.729 545 1HG LYS 72 2HG LYS 72 2.248 -6.161 9.005 546 2HG LYS 72 1HG LYS 72 1.492 -6.346 10.575 547 1HD LYS 72 2HD LYS 72 -0.649 -5.583 9.611 548 2HD LYS 72 1HD LYS 72 0.118 -5.466 8.039 549 1HE LYS 72 2HE LYS 72 -0.089 -7.672 7.678 550 2HE LYS 72 1HE LYS 72 0.557 -8.060 9.260 551 1HZ LYS 72 1HZ LYS 72 -1.598 -7.634 10.191 552 2HZ LYS 72 2HZ LYS 72 -2.208 -7.267 8.696 553 3HZ LYS 72 3HZ LYS 72 -1.695 -8.806 9.025 554 H TYR 73 H TYR 73 2.658 -5.465 7.252 555 HA TYR 73 HA TYR 73 1.987 -3.390 5.210 556 1HB TYR 73 2HB TYR 73 3.475 -6.006 5.062 557 2HB TYR 73 1HB TYR 73 3.010 -5.077 3.651 558 HD1 TYR 73 HD1 TYR 73 4.699 -4.396 6.920 559 HD2 TYR 73 HD2 TYR 73 4.718 -3.872 2.684 560 HE1 TYR 73 HE1 TYR 73 6.846 -3.057 7.088 561 HE2 TYR 73 HE2 TYR 73 6.863 -2.531 2.867 562 HH TYR 73 HH TYR 73 8.359 -1.744 4.202 563 H GLY 74 H GLY 74 0.726 -4.232 3.371 564 1HA GLY 74 2HA GLY 74 -0.877 -6.625 3.834 565 2HA GLY 74 1HA GLY 74 -1.763 -5.119 3.970 566 H TYR 75 H TYR 75 -2.292 -7.133 2.077 567 HA TYR 75 HA TYR 75 -1.292 -5.986 -0.479 568 1HB TYR 75 2HB TYR 75 -2.417 -8.578 0.477 569 2HB TYR 75 1HB TYR 75 -2.586 -8.162 -1.217 570 HD1 TYR 75 HD1 TYR 75 -0.035 -6.848 -1.804 571 HD2 TYR 75 HD2 TYR 75 -0.857 -10.308 0.554 572 HE1 TYR 75 HE1 TYR 75 2.308 -7.713 -2.245 573 HE2 TYR 75 HE2 TYR 75 1.489 -11.162 0.106 574 HH TYR 75 HH TYR 75 3.365 -10.772 -0.880 575 H VAL 76 H VAL 76 -2.738 -5.529 -2.175 576 HA VAL 76 HA VAL 76 -5.588 -5.354 -1.457 577 HB VAL 76 HB VAL 76 -4.304 -3.002 -2.725 578 1HG1 VAL 76 1HG1 VAL 76 -6.739 -3.134 -2.776 579 2HG1 VAL 76 2HG1 VAL 76 -6.765 -3.337 -0.990 580 3HG1 VAL 76 3HG1 VAL 76 -6.196 -1.791 -1.710 581 1HG2 VAL 76 1HG2 VAL 76 -4.480 -3.477 0.263 582 2HG2 VAL 76 2HG2 VAL 76 -2.974 -3.364 -0.712 583 3HG2 VAL 76 3HG2 VAL 76 -4.033 -1.924 -0.525 584 H LEU 77 H LEU 77 -6.818 -6.130 -2.977 585 HA LEU 77 HA LEU 77 -5.621 -6.875 -5.502 586 1HB LEU 77 2HB LEU 77 -7.533 -7.977 -3.998 587 2HB LEU 77 1HB LEU 77 -8.514 -7.132 -5.178 588 HG LEU 77 HG LEU 77 -6.641 -9.395 -5.559 589 1HD1 LEU 77 1HD1 LEU 77 -8.976 -9.932 -5.157 590 2HD1 LEU 77 2HD1 LEU 77 -9.462 -8.859 -6.515 591 3HD1 LEU 77 3HD1 LEU 77 -8.513 -10.351 -6.843 592 1HD2 LEU 77 1HD2 LEU 77 -7.545 -7.513 -7.751 593 2HD2 LEU 77 2HD2 LEU 77 -5.861 -7.746 -7.164 594 3HD2 LEU 77 3HD2 LEU 77 -6.715 -9.088 -8.003 595 H ARG 78 H ARG 78 -6.042 -6.138 -7.523 596 HA ARG 78 HA ARG 78 -6.435 -3.370 -7.807 597 1HB ARG 78 2HB ARG 78 -6.662 -3.798 -10.202 598 2HB ARG 78 1HB ARG 78 -5.340 -4.724 -9.521 599 1HG ARG 78 2HG ARG 78 -6.303 -6.672 -10.070 600 2HG ARG 78 1HG ARG 78 -7.848 -6.175 -9.409 601 1HD ARG 78 2HD ARG 78 -7.485 -4.678 -11.765 602 2HD ARG 78 1HD ARG 78 -7.034 -6.325 -12.157 603 HE ARG 78 HE ARG 78 -9.250 -7.015 -11.848 604 1HH1 ARG 78 2HH1 ARG 78 -8.827 -3.688 -10.663 605 2HH1 ARG 78 HH22 ARG 78 -10.542 -3.416 -10.454 606 1HH2 ARG 78 1HH1 ARG 78 -11.451 -6.652 -11.575 607 2HH2 ARG 78 2HH1 ARG 78 -12.040 -5.117 -10.978 608 H SER 79 H SER 79 -8.673 -5.954 -7.496 609 HA SER 79 HA SER 79 -10.938 -5.002 -8.779 610 1HB SER 79 2HB SER 79 -10.455 -7.075 -7.125 611 2HB SER 79 1HB SER 79 -11.431 -6.055 -6.087 612 HG SER 79 HG SER 79 -12.705 -7.517 -7.326 613 H TYR 80 H TYR 80 -10.092 -4.419 -5.378 614 HA TYR 80 HA TYR 80 -11.684 -1.894 -5.509 615 1HB TYR 80 2HB TYR 80 -11.827 -2.320 -3.008 616 2HB TYR 80 1HB TYR 80 -12.711 -3.435 -4.029 617 HD1 TYR 80 HD1 TYR 80 -9.669 -3.030 -1.971 618 HD2 TYR 80 HD2 TYR 80 -12.196 -5.758 -4.068 619 HE1 TYR 80 HE1 TYR 80 -8.465 -4.985 -0.895 620 HE2 TYR 80 HE2 TYR 80 -10.983 -7.704 -2.982 621 HH TYR 80 HH TYR 80 -9.413 -8.287 -1.625 622 H LEU 81 H LEU 81 -9.706 -0.882 -6.334 623 HA LEU 81 HA LEU 81 -8.246 0.328 -4.193 624 1HB LEU 81 2HB LEU 81 -6.799 -1.378 -3.982 625 2HB LEU 81 1HB LEU 81 -6.999 -1.901 -5.642 626 HG LEU 81 HG LEU 81 -4.746 -0.991 -4.909 627 1HD1 LEU 81 1HD1 LEU 81 -5.284 -1.486 -7.226 628 2HD1 LEU 81 2HD1 LEU 81 -6.093 0.112 -7.385 629 3HD1 LEU 81 3HD1 LEU 81 -4.318 0.027 -7.112 630 1HD2 LEU 81 1HD2 LEU 81 -6.231 1.628 -5.217 631 2HD2 LEU 81 2HD2 LEU 81 -5.508 0.977 -3.705 632 3HD2 LEU 81 3HD2 LEU 81 -4.447 1.449 -5.078 633 H ALA 82 H ALA 82 -7.369 2.230 -4.752 634 HA ALA 82 HA ALA 82 -8.317 3.501 -7.056 635 1HB ALA 82 1HB ALA 82 -7.577 4.713 -5.060 636 2HB ALA 82 2HB ALA 82 -5.885 4.192 -5.375 637 3HB ALA 82 3HB ALA 82 -6.712 5.304 -6.521 638 H ASP 83 H ASP 83 -6.846 4.589 -8.703 639 HA ASP 83 HA ASP 83 -5.818 2.629 -10.433 640 1HB ASP 83 2HB ASP 83 -4.783 5.435 -10.376 641 2HB ASP 83 1HB ASP 83 -4.991 4.380 -11.760 Start of MODEL 11 1 H GLU 7 H1 GLU 7 10.065 -3.984 11.585 2 HA GLU 7 HA GLU 7 10.407 -4.036 13.890 3 1HB GLU 7 2HB GLU 7 8.026 -2.659 14.008 4 2HB GLU 7 1HB GLU 7 7.620 -4.240 14.645 5 1HG GLU 7 2HG GLU 7 8.452 -3.494 16.594 6 2HG GLU 7 1HG GLU 7 10.028 -3.699 15.857 7 H LYS 8 H LYS 8 8.611 -5.722 15.331 8 HA LYS 8 HA LYS 8 9.351 -8.212 14.151 9 1HB LYS 8 2HB LYS 8 7.615 -7.524 16.487 10 2HB LYS 8 1HB LYS 8 7.923 -9.177 15.994 11 1HG LYS 8 2HG LYS 8 9.907 -9.158 17.019 12 2HG LYS 8 1HG LYS 8 10.398 -7.739 16.116 13 1HD LYS 8 2HD LYS 8 8.768 -6.568 17.888 14 2HD LYS 8 1HD LYS 8 9.274 -7.946 18.846 15 1HE LYS 8 2HE LYS 8 10.985 -6.542 19.391 16 2HE LYS 8 1HE LYS 8 11.665 -7.181 17.908 17 1HZ LYS 8 1HZ LYS 8 10.757 -5.308 16.742 18 2HZ LYS 8 2HZ LYS 8 10.115 -4.704 18.143 19 3HZ LYS 8 3HZ LYS 8 11.757 -4.799 17.959 20 H GLU 9 H GLU 9 6.662 -6.125 13.851 21 HA GLU 9 HA GLU 9 4.722 -7.995 12.973 22 1HB GLU 9 2HB GLU 9 5.011 -5.107 12.994 23 2HB GLU 9 1HB GLU 9 4.121 -5.697 11.604 24 1HG GLU 9 2HG GLU 9 2.653 -6.981 13.131 25 2HG GLU 9 1HG GLU 9 3.509 -6.290 14.495 26 H GLU 10 H GLU 10 7.466 -6.564 11.450 27 HA GLU 10 HA GLU 10 6.721 -7.008 8.747 28 1HB GLU 10 2HB GLU 10 8.538 -5.551 9.156 29 2HB GLU 10 1HB GLU 10 9.404 -6.775 10.062 30 1HG GLU 10 2HG GLU 10 8.710 -7.569 7.327 31 2HG GLU 10 1HG GLU 10 9.821 -6.217 7.424 32 H LYS 11 H LYS 11 8.022 -9.056 11.230 33 HA LYS 11 HA LYS 11 8.902 -11.173 9.572 34 1HB LYS 11 2HB LYS 11 8.058 -11.064 12.435 35 2HB LYS 11 1HB LYS 11 8.560 -12.561 11.676 36 1HG LYS 11 2HG LYS 11 10.508 -10.695 10.956 37 2HG LYS 11 1HG LYS 11 10.177 -10.376 12.646 38 1HD LYS 11 2HD LYS 11 10.690 -13.153 11.623 39 2HD LYS 11 1HD LYS 11 11.991 -12.098 12.136 40 1HE LYS 11 2HE LYS 11 10.964 -11.902 14.355 41 2HE LYS 11 1HE LYS 11 9.652 -12.945 13.843 42 1HZ LYS 11 1HZ LYS 11 11.242 -14.687 13.482 43 2HZ LYS 11 2HZ LYS 11 12.482 -13.702 13.966 44 3HZ LYS 11 3HZ LYS 11 11.314 -14.156 15.049 45 H ASP 12 H ASP 12 5.784 -10.181 10.692 46 HA ASP 12 HA ASP 12 4.417 -12.627 9.977 47 1HB ASP 12 2HB ASP 12 3.616 -10.800 11.578 48 2HB ASP 12 1HB ASP 12 3.174 -9.908 10.136 49 H PHE 13 H PHE 13 4.924 -9.448 8.518 50 HA PHE 13 HA PHE 13 3.379 -9.927 6.157 51 1HB PHE 13 2HB PHE 13 3.785 -7.705 6.484 52 2HB PHE 13 1HB PHE 13 5.376 -7.995 7.160 53 HD1 PHE 13 HD1 PHE 13 3.475 -7.530 4.077 54 HD2 PHE 13 HD2 PHE 13 7.320 -8.074 5.761 55 HE1 PHE 13 HE1 PHE 13 4.522 -6.857 1.904 56 HE2 PHE 13 HE2 PHE 13 8.367 -7.401 3.588 57 HZ PHE 13 HZ PHE 13 6.955 -6.799 1.686 58 H ARG 14 H ARG 14 6.880 -9.945 6.776 59 HA ARG 14 HA ARG 14 7.658 -10.790 4.195 60 1HB ARG 14 2HB ARG 14 9.442 -10.007 5.423 61 2HB ARG 14 1HB ARG 14 8.944 -10.851 6.876 62 1HG ARG 14 2HG ARG 14 9.695 -12.948 6.011 63 2HG ARG 14 1HG ARG 14 9.950 -12.265 4.418 64 1HD ARG 14 2HD ARG 14 11.969 -11.407 4.977 65 2HD ARG 14 1HD ARG 14 11.426 -10.915 6.568 66 HE ARG 14 HE ARG 14 12.697 -13.453 5.849 67 1HH1 ARG 14 2HH1 ARG 14 10.705 -11.744 8.251 68 2HH1 ARG 14 HH22 ARG 14 11.103 -12.851 9.546 69 1HH2 ARG 14 1HH1 ARG 14 13.199 -14.868 7.522 70 2HH2 ARG 14 2HH1 ARG 14 12.531 -14.638 9.122 71 H LYS 15 H LYS 15 6.421 -12.499 6.941 72 HA LYS 15 HA LYS 15 7.277 -15.094 6.347 73 1HB LYS 15 2HB LYS 15 6.294 -15.097 8.370 74 2HB LYS 15 1HB LYS 15 5.079 -13.925 7.902 75 1HG LYS 15 2HG LYS 15 4.880 -16.545 6.575 76 2HG LYS 15 1HG LYS 15 4.559 -16.550 8.297 77 1HD LYS 15 2HD LYS 15 3.251 -14.325 6.997 78 2HD LYS 15 1HD LYS 15 2.775 -15.849 6.276 79 1HE LYS 15 2HE LYS 15 2.807 -15.547 9.252 80 2HE LYS 15 1HE LYS 15 1.446 -14.949 8.324 81 1HZ LYS 15 1HZ LYS 15 1.177 -17.133 7.402 82 2HZ LYS 15 2HZ LYS 15 2.463 -17.698 8.279 83 3HZ LYS 15 3HZ LYS 15 1.091 -17.190 9.055 84 H LYS 16 H LYS 16 4.190 -13.590 5.452 85 HA LYS 16 HA LYS 16 3.768 -15.664 3.448 86 1HB LYS 16 2HB LYS 16 1.993 -14.559 4.978 87 2HB LYS 16 1HB LYS 16 1.984 -13.306 3.753 88 1HG LYS 16 2HG LYS 16 0.263 -14.937 3.249 89 2HG LYS 16 1HG LYS 16 1.525 -15.031 2.038 90 1HD LYS 16 2HD LYS 16 1.998 -16.790 4.314 91 2HD LYS 16 1HD LYS 16 0.514 -17.160 3.460 92 1HE LYS 16 2HE LYS 16 2.567 -16.660 1.543 93 2HE LYS 16 1HE LYS 16 3.162 -17.823 2.710 94 1HZ LYS 16 1HZ LYS 16 1.206 -19.133 2.331 95 2HZ LYS 16 2HZ LYS 16 0.643 -18.035 1.227 96 3HZ LYS 16 3HZ LYS 16 2.023 -18.893 0.911 97 H PHE 17 H PHE 17 4.772 -12.353 3.671 98 HA PHE 17 HA PHE 17 4.728 -11.962 0.764 99 1HB PHE 17 2HB PHE 17 5.580 -10.348 3.151 100 2HB PHE 17 1HB PHE 17 5.822 -9.785 1.510 101 HD1 PHE 17 HD1 PHE 17 3.062 -11.219 3.552 102 HD2 PHE 17 HD2 PHE 17 4.259 -8.316 0.714 103 HE1 PHE 17 HE1 PHE 17 0.740 -10.283 3.532 104 HE2 PHE 17 HE2 PHE 17 1.937 -7.379 0.693 105 HZ PHE 17 HZ PHE 17 0.205 -8.372 2.104 106 H LYS 18 H LYS 18 6.393 -14.086 1.991 107 HA LYS 18 HA LYS 18 9.028 -13.638 2.309 108 1HB LYS 18 2HB LYS 18 7.596 -15.842 1.793 109 2HB LYS 18 1HB LYS 18 8.517 -15.721 0.308 110 1HG LYS 18 2HG LYS 18 10.531 -16.055 1.367 111 2HG LYS 18 1HG LYS 18 9.964 -15.384 2.883 112 1HD LYS 18 2HD LYS 18 8.377 -17.631 2.490 113 2HD LYS 18 1HD LYS 18 9.977 -18.137 1.986 114 1HE LYS 18 2HE LYS 18 10.851 -17.213 4.156 115 2HE LYS 18 1HE LYS 18 9.187 -16.980 4.653 116 1HZ LYS 18 1HZ LYS 18 8.825 -19.320 4.366 117 2HZ LYS 18 2HZ LYS 18 10.397 -19.540 3.896 118 3HZ LYS 18 3HZ LYS 18 10.055 -19.055 5.442 119 H TYR 19 H TYR 19 7.420 -12.024 0.144 120 HA TYR 19 HA TYR 19 8.954 -12.128 -2.251 121 1HB TYR 19 2HB TYR 19 7.027 -10.955 -2.539 122 2HB TYR 19 1HB TYR 19 7.027 -10.372 -0.886 123 HD1 TYR 19 HD1 TYR 19 9.219 -9.934 -3.887 124 HD2 TYR 19 HD2 TYR 19 7.062 -8.075 -0.708 125 HE1 TYR 19 HE1 TYR 19 9.994 -7.656 -4.684 126 HE2 TYR 19 HE2 TYR 19 7.845 -5.802 -1.517 127 HH TYR 19 HH TYR 19 9.005 -4.742 -2.989 128 H ASP 20 H ASP 20 11.002 -11.627 -2.576 129 HA ASP 20 HA ASP 20 12.358 -9.822 -0.659 130 1HB ASP 20 2HB ASP 20 13.280 -11.874 -2.614 131 2HB ASP 20 1HB ASP 20 14.375 -10.602 -2.110 132 H GLY 21 H GLY 21 11.808 -7.799 -1.287 133 1HA GLY 21 2HA GLY 21 12.968 -6.909 -3.841 134 2HA GLY 21 1HA GLY 21 11.256 -6.620 -3.603 135 H GLU 22 H GLU 22 12.115 -4.375 -3.951 136 HA GLU 22 HA GLU 22 13.216 -3.259 -1.444 137 1HB GLU 22 2HB GLU 22 14.146 -2.824 -3.888 138 2HB GLU 22 1HB GLU 22 12.925 -1.567 -3.849 139 1HG GLU 22 2HG GLU 22 13.967 -0.421 -2.132 140 2HG GLU 22 1HG GLU 22 14.780 -1.853 -1.532 141 H ILE 23 H ILE 23 11.447 -3.199 -0.157 142 HA ILE 23 HA ILE 23 8.940 -2.154 -1.038 143 HB ILE 23 HB ILE 23 9.972 -3.368 1.273 144 1HG1 ILE 23 2HG1 ILE 23 7.101 -2.686 0.854 145 2HG1 ILE 23 1HG1 ILE 23 7.915 -3.852 -0.171 146 1HG2 ILE 23 1HG2 ILE 23 10.138 -1.175 2.303 147 2HG2 ILE 23 2HG2 ILE 23 8.427 -0.836 1.869 148 3HG2 ILE 23 3HG2 ILE 23 8.814 -2.127 3.058 149 1HD1 ILE 23 1HG1 ILE 23 8.543 -5.190 1.811 150 2HD1 ILE 23 2HG1 ILE 23 7.708 -3.994 2.863 151 3HD1 ILE 23 3HG1 ILE 23 6.761 -4.982 1.697 152 H ARG 24 H ARG 24 8.693 -0.213 -1.791 153 HA ARG 24 HA ARG 24 9.407 2.049 -0.090 154 1HB ARG 24 2HB ARG 24 10.551 3.228 -1.995 155 2HB ARG 24 1HB ARG 24 11.470 1.926 -1.266 156 1HG ARG 24 2HG ARG 24 11.743 1.266 -3.417 157 2HG ARG 24 1HG ARG 24 10.154 0.563 -3.190 158 1HD ARG 24 2HD ARG 24 9.265 1.934 -4.723 159 2HD ARG 24 1HD ARG 24 9.927 3.342 -3.918 160 HE ARG 24 HE ARG 24 10.941 2.125 -6.306 161 1HH1 ARG 24 2HH1 ARG 24 12.054 3.640 -3.286 162 2HH1 ARG 24 HH22 ARG 24 13.575 4.168 -3.971 163 1HH2 ARG 24 1HH1 ARG 24 12.898 2.809 -7.173 164 2HH2 ARG 24 2HH1 ARG 24 14.052 3.690 -6.197 165 H VAL 25 H VAL 25 7.642 3.195 -0.004 166 HA VAL 25 HA VAL 25 5.553 2.962 -1.925 167 HB VAL 25 HB VAL 25 5.106 3.511 0.366 168 1HG1 VAL 25 1HG1 VAL 25 7.118 4.787 0.893 169 2HG1 VAL 25 2HG1 VAL 25 6.553 6.119 -0.174 170 3HG1 VAL 25 3HG1 VAL 25 5.642 5.719 1.323 171 1HG2 VAL 25 1HG2 VAL 25 4.330 5.772 -1.498 172 2HG2 VAL 25 2HG2 VAL 25 3.456 4.215 -1.288 173 3HG2 VAL 25 3HG2 VAL 25 3.538 5.391 0.070 174 H LEU 26 H LEU 26 6.063 3.404 -3.961 175 HA LEU 26 HA LEU 26 7.446 5.923 -4.545 176 1HB LEU 26 2HB LEU 26 7.862 3.581 -5.608 177 2HB LEU 26 1HB LEU 26 6.555 4.072 -6.666 178 HG LEU 26 HG LEU 26 9.318 5.047 -6.486 179 1HD1 LEU 26 1HD1 LEU 26 8.680 3.551 -8.290 180 2HD1 LEU 26 2HD1 LEU 26 7.378 4.689 -8.781 181 3HD1 LEU 26 3HD1 LEU 26 9.102 5.174 -8.937 182 1HD2 LEU 26 1HD2 LEU 26 7.030 6.855 -7.295 183 2HD2 LEU 26 2HD2 LEU 26 8.115 7.068 -5.877 184 3HD2 LEU 26 3HD2 LEU 26 8.776 7.205 -7.543 185 H TYR 27 H TYR 27 4.423 4.263 -5.297 186 HA TYR 27 HA TYR 27 3.210 6.932 -5.871 187 1HB TYR 27 2HB TYR 27 1.939 5.850 -7.609 188 2HB TYR 27 1HB TYR 27 3.636 5.494 -7.864 189 HD1 TYR 27 HD1 TYR 27 0.356 4.121 -7.328 190 HD2 TYR 27 HD2 TYR 27 4.528 3.235 -7.172 191 HE1 TYR 27 HE1 TYR 27 -0.162 1.638 -7.362 192 HE2 TYR 27 HE2 TYR 27 3.996 0.756 -7.207 193 HH TYR 27 HH TYR 27 2.433 -0.727 -7.277 194 H SER 28 H SER 28 2.551 6.979 -3.644 195 HA SER 28 HA SER 28 0.870 4.897 -2.581 196 1HB SER 28 2HB SER 28 0.346 6.634 -0.827 197 2HB SER 28 1HB SER 28 2.032 6.183 -0.986 198 HG SER 28 HG SER 28 1.745 8.461 -0.841 199 H THR 29 H THR 29 -1.019 4.423 -3.390 200 HA THR 29 HA THR 29 -2.626 6.496 -4.672 201 HB THR 29 HB THR 29 -2.260 4.058 -5.492 202 HG1 THR 29 HG1 THR 29 -4.444 4.251 -6.310 203 1HG2 THR 29 1HG2 THR 29 -3.053 2.964 -3.324 204 2HG2 THR 29 2HG2 THR 29 -4.654 3.730 -3.610 205 3HG2 THR 29 3HG2 THR 29 -4.028 2.498 -4.761 206 H LYS 30 H LYS 30 -4.905 6.761 -4.192 207 HA LYS 30 HA LYS 30 -5.286 6.762 -1.265 208 1HB LYS 30 2HB LYS 30 -5.402 8.890 -2.724 209 2HB LYS 30 1HB LYS 30 -7.004 8.311 -3.135 210 1HG LYS 30 2HG LYS 30 -6.805 8.054 -0.353 211 2HG LYS 30 1HG LYS 30 -6.108 9.616 -0.730 212 1HD LYS 30 2HD LYS 30 -8.229 9.895 -2.227 213 2HD LYS 30 1HD LYS 30 -8.888 8.631 -1.207 214 1HE LYS 30 2HE LYS 30 -7.746 10.387 0.598 215 2HE LYS 30 1HE LYS 30 -8.446 11.442 -0.613 216 1HZ LYS 30 1HZ LYS 30 -10.520 10.295 -0.343 217 2HZ LYS 30 2HZ LYS 30 -9.858 9.298 0.801 218 3HZ LYS 30 3HZ LYS 30 -10.013 10.918 1.105 219 H VAL 31 H VAL 31 -6.881 5.737 -0.266 220 HA VAL 31 HA VAL 31 -8.187 3.633 -1.744 221 HB VAL 31 HB VAL 31 -8.973 4.342 1.014 222 1HG1 VAL 31 1HG1 VAL 31 -10.005 2.399 -0.040 223 2HG1 VAL 31 2HG1 VAL 31 -8.376 1.713 -0.371 224 3HG1 VAL 31 3HG1 VAL 31 -8.947 1.896 1.324 225 1HG2 VAL 31 1HG2 VAL 31 -6.289 3.137 0.287 226 2HG2 VAL 31 2HG2 VAL 31 -6.568 4.745 1.043 227 3HG2 VAL 31 3HG2 VAL 31 -6.973 3.244 1.947 228 H THR 32 H THR 32 -9.920 3.787 -2.910 229 HA THR 32 HA THR 32 -11.572 6.160 -2.764 230 HB THR 32 HB THR 32 -10.966 5.041 -4.914 231 HG1 THR 32 HG1 THR 32 -13.192 5.216 -5.614 232 1HG2 THR 32 1HG2 THR 32 -11.293 2.636 -4.117 233 2HG2 THR 32 2HG2 THR 32 -13.049 2.997 -3.984 234 3HG2 THR 32 3HG2 THR 32 -12.242 3.038 -5.590 235 H THR 33 H THR 33 -14.057 5.673 -3.027 236 HA THR 33 HA THR 33 -14.832 4.590 -0.446 237 HB THR 33 HB THR 33 -15.742 6.700 -1.738 238 HG1 THR 33 HG1 THR 33 -17.659 6.277 -0.466 239 1HG2 THR 33 1HG2 THR 33 -16.620 5.343 -3.715 240 2HG2 THR 33 2HG2 THR 33 -17.679 4.472 -2.552 241 3HG2 THR 33 3HG2 THR 33 -17.906 6.234 -2.830 242 H SER 34 H SER 34 -14.353 3.360 -3.513 243 HA SER 34 HA SER 34 -16.332 1.199 -3.135 244 1HB SER 34 2HB SER 34 -15.887 2.523 -5.363 245 2HB SER 34 1HB SER 34 -14.597 1.350 -5.534 246 HG SER 34 HG SER 34 -16.558 0.646 -6.511 247 H ILE 35 H ILE 35 -13.579 1.776 -1.836 248 HA ILE 35 HA ILE 35 -11.969 -0.467 -2.619 249 HB ILE 35 HB ILE 35 -11.573 1.806 -1.164 250 1HG1 ILE 35 2HG1 ILE 35 -10.071 -0.011 -2.517 251 2HG1 ILE 35 1HG1 ILE 35 -9.452 1.410 -1.701 252 1HG2 ILE 35 1HG2 ILE 35 -12.439 0.800 0.871 253 2HG2 ILE 35 2HG2 ILE 35 -11.288 -0.569 0.690 254 3HG2 ILE 35 3HG2 ILE 35 -10.670 1.088 1.013 255 1HD1 ILE 35 1HG1 ILE 35 -9.067 0.090 0.355 256 2HD1 ILE 35 2HG1 ILE 35 -9.702 -1.368 -0.483 257 3HD1 ILE 35 3HG1 ILE 35 -8.177 -0.601 -1.046 258 H THR 36 H THR 36 -11.245 -2.074 -0.889 259 HA THR 36 HA THR 36 -13.553 -3.651 -0.260 260 HB THR 36 HB THR 36 -11.534 -4.793 -0.877 261 HG1 THR 36 HG1 THR 36 -11.329 -6.023 1.103 262 1HG2 THR 36 1HG2 THR 36 -9.893 -3.010 -0.068 263 2HG2 THR 36 2HG2 THR 36 -10.276 -3.525 1.611 264 3HG2 THR 36 3HG2 THR 36 -9.475 -4.671 0.481 265 H SER 37 H SER 37 -14.901 -3.388 1.325 266 HA SER 37 HA SER 37 -13.843 -2.268 3.865 267 1HB SER 37 2HB SER 37 -15.404 -0.697 3.826 268 2HB SER 37 1HB SER 37 -15.895 -1.253 2.239 269 HG SER 37 HG SER 37 -17.632 -1.264 3.747 270 H LYS 38 H LYS 38 -15.737 -4.666 2.251 271 HA LYS 38 HA LYS 38 -16.411 -5.890 4.856 272 1HB LYS 38 2HB LYS 38 -18.257 -6.858 3.921 273 2HB LYS 38 1HB LYS 38 -18.155 -5.377 2.992 274 1HG LYS 38 2HG LYS 38 -17.014 -6.559 1.191 275 2HG LYS 38 1HG LYS 38 -17.039 -8.040 2.126 276 1HD LYS 38 2HD LYS 38 -19.038 -8.521 1.258 277 2HD LYS 38 1HD LYS 38 -19.694 -7.096 2.038 278 1HE LYS 38 2HE LYS 38 -20.108 -6.310 -0.023 279 2HE LYS 38 1HE LYS 38 -18.377 -6.085 -0.179 280 1HZ LYS 38 1HZ LYS 38 -18.219 -8.290 -1.073 281 2HZ LYS 38 2HZ LYS 38 -19.854 -8.504 -0.925 282 3HZ LYS 38 3HZ LYS 38 -19.259 -7.374 -1.979 283 H LYS 39 H LYS 39 -15.100 -6.625 1.661 284 HA LYS 39 HA LYS 39 -14.228 -9.245 2.403 285 1HB LYS 39 2HB LYS 39 -14.453 -7.838 0.042 286 2HB LYS 39 1HB LYS 39 -12.730 -8.100 0.223 287 1HG LYS 39 2HG LYS 39 -13.379 -10.034 -0.873 288 2HG LYS 39 1HG LYS 39 -13.443 -10.544 0.803 289 1HD LYS 39 2HD LYS 39 -15.482 -11.306 0.013 290 2HD LYS 39 1HD LYS 39 -15.925 -9.740 0.663 291 1HE LYS 39 2HE LYS 39 -16.896 -9.502 -1.383 292 2HE LYS 39 1HE LYS 39 -15.277 -9.009 -1.838 293 1HZ LYS 39 1HZ LYS 39 -14.835 -11.253 -2.514 294 2HZ LYS 39 2HZ LYS 39 -16.365 -11.719 -2.084 295 3HZ LYS 39 3HZ LYS 39 -16.144 -10.652 -3.331 296 H TRP 40 H TRP 40 -12.617 -9.885 3.577 297 HA TRP 40 HA TRP 40 -10.208 -8.214 3.740 298 1HB TRP 40 2HB TRP 40 -11.824 -8.994 6.140 299 2HB TRP 40 1HB TRP 40 -10.173 -8.413 6.215 300 HD1 TRP 40 HD1 TRP 40 -13.178 -6.988 7.151 301 HE1 TRP 40 HE1 TRP 40 -9.486 -6.646 3.686 302 HE3 TRP 40 HE3 TRP 40 -13.446 -4.464 6.636 303 HZ2 TRP 40 HZ2 TRP 40 -9.074 -4.422 2.644 304 HZ3 TRP 40 HZ3 TRP 40 -12.193 -2.571 4.931 305 HH2 TRP 40 HH2 TRP 40 -10.358 -2.431 3.216 306 H GLY 41 H GLY 41 -8.419 -9.371 3.723 307 1HA GLY 41 2HA GLY 41 -8.718 -12.306 4.141 308 2HA GLY 41 1HA GLY 41 -7.685 -11.606 2.911 309 H THR 42 H THR 42 -6.843 -13.445 4.870 310 HA THR 42 HA THR 42 -5.662 -12.288 7.137 311 HB THR 42 HB THR 42 -5.814 -14.678 6.972 312 HG1 THR 42 HG1 THR 42 -3.536 -15.097 7.301 313 1HG2 THR 42 1HG2 THR 42 -5.588 -14.843 4.431 314 2HG2 THR 42 2HG2 THR 42 -3.844 -14.456 4.636 315 3HG2 THR 42 3HG2 THR 42 -4.514 -15.977 5.322 316 H ARG 43 H ARG 43 -4.601 -12.430 3.810 317 HA ARG 43 HA ARG 43 -2.094 -11.041 4.522 318 1HB ARG 43 2HB ARG 43 -2.942 -12.764 2.337 319 2HB ARG 43 1HB ARG 43 -2.096 -11.330 1.791 320 1HG ARG 43 2HG ARG 43 -0.363 -11.925 3.610 321 2HG ARG 43 1HG ARG 43 -1.114 -13.508 3.599 322 1HD ARG 43 2HD ARG 43 -0.200 -12.232 1.045 323 2HD ARG 43 1HD ARG 43 0.927 -13.110 2.060 324 HE ARG 43 HE ARG 43 -1.159 -14.874 1.817 325 1HH1 ARG 43 2HH1 ARG 43 0.779 -13.070 -0.559 326 2HH1 ARG 43 HH22 ARG 43 0.595 -14.281 -1.808 327 1HH2 ARG 43 1HH1 ARG 43 -1.387 -16.422 0.204 328 2HH2 ARG 43 2HH1 ARG 43 -0.646 -16.198 -1.365 329 H ASP 44 H ASP 44 -5.117 -10.150 4.157 330 HA ASP 44 HA ASP 44 -4.561 -7.827 2.393 331 1HB ASP 44 2HB ASP 44 -6.795 -9.480 2.680 332 2HB ASP 44 1HB ASP 44 -7.236 -7.960 3.432 333 H LEU 45 H LEU 45 -5.460 -5.744 3.086 334 HA LEU 45 HA LEU 45 -4.908 -5.371 5.956 335 1HB LEU 45 2HB LEU 45 -3.931 -4.053 3.830 336 2HB LEU 45 1HB LEU 45 -5.263 -3.010 4.286 337 HG LEU 45 HG LEU 45 -4.322 -2.867 6.543 338 1HD1 LEU 45 1HD1 LEU 45 -3.097 -4.964 6.630 339 2HD1 LEU 45 2HD1 LEU 45 -1.978 -4.369 5.354 340 3HD1 LEU 45 3HD1 LEU 45 -2.002 -3.579 6.969 341 1HD2 LEU 45 1HD2 LEU 45 -2.474 -1.984 4.314 342 2HD2 LEU 45 2HD2 LEU 45 -3.902 -1.090 4.941 343 3HD2 LEU 45 3HD2 LEU 45 -2.467 -1.342 5.994 344 H GLN 46 H GLN 46 -6.237 -4.124 7.291 345 HA GLN 46 HA GLN 46 -9.064 -4.482 6.605 346 1HB GLN 46 2HB GLN 46 -8.489 -5.256 8.772 347 2HB GLN 46 1HB GLN 46 -7.688 -3.747 9.164 348 1HG GLN 46 2HG GLN 46 -9.655 -2.644 9.552 349 2HG GLN 46 1HG GLN 46 -10.546 -3.603 8.387 350 1HE2 GLN 46 1HE2 GLN 46 -10.821 -5.928 8.927 351 2HE2 GLN 46 2HE2 GLN 46 -11.213 -6.338 10.582 352 H VAL 47 H VAL 47 -7.487 -2.515 5.210 353 HA VAL 47 HA VAL 47 -8.043 0.087 6.210 354 HB VAL 47 HB VAL 47 -7.419 0.875 4.049 355 1HG1 VAL 47 1HG1 VAL 47 -5.601 0.102 5.479 356 2HG1 VAL 47 2HG1 VAL 47 -5.782 -1.558 4.813 357 3HG1 VAL 47 3HG1 VAL 47 -5.230 -0.217 3.749 358 1HG2 VAL 47 1HG2 VAL 47 -7.704 -1.988 3.100 359 2HG2 VAL 47 2HG2 VAL 47 -8.767 -0.607 2.659 360 3HG2 VAL 47 3HG2 VAL 47 -7.049 -0.624 2.129 361 H LYS 48 H LYS 48 -9.499 1.669 5.288 362 HA LYS 48 HA LYS 48 -12.072 0.388 4.564 363 1HB LYS 48 2HB LYS 48 -11.426 2.470 6.525 364 2HB LYS 48 1HB LYS 48 -12.872 2.741 5.573 365 1HG LYS 48 2HG LYS 48 -13.530 1.537 7.532 366 2HG LYS 48 1HG LYS 48 -13.604 0.417 6.187 367 1HD LYS 48 2HD LYS 48 -12.181 -0.950 7.231 368 2HD LYS 48 1HD LYS 48 -10.978 0.324 7.280 369 1HE LYS 48 2HE LYS 48 -11.405 -0.424 9.537 370 2HE LYS 48 1HE LYS 48 -12.058 1.191 9.350 371 1HZ LYS 48 1HZ LYS 48 -14.213 0.228 9.004 372 2HZ LYS 48 2HZ LYS 48 -13.596 -1.298 9.180 373 3HZ LYS 48 3HZ LYS 48 -13.594 -0.251 10.463 374 HA PRO 49 HA PRO 49 -12.075 2.659 0.911 375 1HB PRO 49 2HB PRO 49 -14.778 2.975 0.472 376 2HB PRO 49 1HB PRO 49 -13.864 1.522 0.117 377 1HG PRO 49 2HG PRO 49 -15.765 2.026 2.283 378 2HG PRO 49 1HG PRO 49 -15.177 0.497 1.662 379 1HD PRO 49 2HD PRO 49 -14.383 1.796 4.061 380 2HD PRO 49 1HD PRO 49 -13.713 0.326 3.381 381 H GLY 50 H GLY 50 -11.633 4.682 0.434 382 1HA GLY 50 2HA GLY 50 -12.229 6.999 0.272 383 2HA GLY 50 1HA GLY 50 -13.241 6.828 1.693 384 H GLU 51 H GLU 51 -10.308 5.201 1.976 385 HA GLU 51 HA GLU 51 -9.229 7.414 3.628 386 1HB GLU 51 2HB GLU 51 -9.852 5.218 4.743 387 2HB GLU 51 1HB GLU 51 -8.469 4.533 3.913 388 1HG GLU 51 2HG GLU 51 -8.138 5.431 6.315 389 2HG GLU 51 1HG GLU 51 -6.947 5.849 5.099 390 H SER 52 H SER 52 -6.788 7.246 3.922 391 HA SER 52 HA SER 52 -5.622 6.926 1.210 392 1HB SER 52 2HB SER 52 -5.632 9.238 2.068 393 2HB SER 52 1HB SER 52 -4.665 8.709 3.431 394 HG SER 52 HG SER 52 -3.385 9.612 1.745 395 H LEU 53 H LEU 53 -4.030 5.560 0.878 396 HA LEU 53 HA LEU 53 -2.484 4.611 3.192 397 1HB LEU 53 2HB LEU 53 -3.234 2.547 3.220 398 2HB LEU 53 1HB LEU 53 -4.575 3.139 2.261 399 HG LEU 53 HG LEU 53 -2.162 1.649 1.374 400 1HD1 LEU 53 1HD1 LEU 53 -4.032 0.291 2.121 401 2HD1 LEU 53 2HD1 LEU 53 -5.125 1.168 0.994 402 3HD1 LEU 53 3HD1 LEU 53 -3.807 0.132 0.344 403 1HD2 LEU 53 1HD2 LEU 53 -4.086 3.160 -0.408 404 2HD2 LEU 53 2HD2 LEU 53 -2.344 3.527 -0.157 405 3HD2 LEU 53 3HD2 LEU 53 -2.833 2.000 -0.971 406 H GLU 54 H GLU 54 -0.487 3.635 2.672 407 HA GLU 54 HA GLU 54 0.670 4.868 0.303 408 1HB GLU 54 2HB GLU 54 1.669 3.771 2.798 409 2HB GLU 54 1HB GLU 54 2.657 3.344 1.415 410 1HG GLU 54 2HG GLU 54 3.596 5.369 1.593 411 2HG GLU 54 1HG GLU 54 2.073 6.034 1.037 412 H VAL 55 H VAL 55 1.277 3.964 -1.533 413 HA VAL 55 HA VAL 55 0.640 1.088 -1.831 414 HB VAL 55 HB VAL 55 0.491 3.412 -3.644 415 1HG1 VAL 55 1HG1 VAL 55 1.990 1.924 -4.861 416 2HG1 VAL 55 2HG1 VAL 55 0.842 0.563 -4.612 417 3HG1 VAL 55 3HG1 VAL 55 0.367 1.964 -5.634 418 1HG2 VAL 55 1HG2 VAL 55 -1.299 1.011 -3.185 419 2HG2 VAL 55 2HG2 VAL 55 -1.534 2.662 -2.512 420 3HG2 VAL 55 3HG2 VAL 55 -1.657 2.388 -4.284 421 H ILE 56 H ILE 56 2.152 -0.347 -2.169 422 HA ILE 56 HA ILE 56 4.900 0.650 -2.461 423 HB ILE 56 HB ILE 56 4.008 -2.139 -1.908 424 1HG1 ILE 56 2HG1 ILE 56 4.509 0.126 -0.033 425 2HG1 ILE 56 1HG1 ILE 56 3.122 -0.941 -0.120 426 1HG2 ILE 56 1HG2 ILE 56 6.277 -2.014 -2.765 427 2HG2 ILE 56 2HG2 ILE 56 6.682 -0.776 -1.526 428 3HG2 ILE 56 3HG2 ILE 56 6.285 -2.455 -1.022 429 1HD1 ILE 56 1HG1 ILE 56 4.512 -2.846 0.626 430 2HD1 ILE 56 2HG1 ILE 56 5.935 -1.751 0.715 431 3HD1 ILE 56 3HG1 ILE 56 4.541 -1.505 1.822 432 H GLN 57 H GLN 57 5.405 -2.223 -3.504 433 HA GLN 57 HA GLN 57 5.208 -1.410 -6.324 434 1HB GLN 57 2HB GLN 57 7.368 -2.240 -5.264 435 2HB GLN 57 1HB GLN 57 6.637 -3.832 -5.302 436 1HG GLN 57 2HG GLN 57 6.561 -3.871 -7.645 437 2HG GLN 57 1HG GLN 57 6.756 -2.134 -7.769 438 1HE2 GLN 57 1HE2 GLN 57 8.790 -1.226 -6.899 439 2HE2 GLN 57 2HE2 GLN 57 10.275 -2.100 -7.204 440 H THR 58 H THR 58 4.521 -2.861 -7.963 441 HA THR 58 HA THR 58 2.034 -4.100 -7.297 442 HB THR 58 HB THR 58 2.354 -4.890 -9.800 443 HG1 THR 58 HG1 THR 58 4.032 -3.532 -10.701 444 1HG2 THR 58 1HG2 THR 58 0.948 -2.876 -9.098 445 2HG2 THR 58 2HG2 THR 58 2.462 -1.906 -9.121 446 3HG2 THR 58 3HG2 THR 58 1.834 -2.629 -10.643 447 H THR 59 H THR 59 1.640 -5.972 -6.434 448 HA THR 59 HA THR 59 3.607 -7.839 -5.755 449 HB THR 59 HB THR 59 0.621 -7.872 -5.885 450 HG1 THR 59 HG1 THR 59 1.150 -8.164 -3.624 451 1HG2 THR 59 1HG2 THR 59 1.374 -10.240 -6.479 452 2HG2 THR 59 2HG2 THR 59 2.391 -10.209 -4.997 453 3HG2 THR 59 3HG2 THR 59 0.600 -10.118 -4.861 454 H ASP 60 H ASP 60 1.023 -8.580 -8.056 455 HA ASP 60 HA ASP 60 2.969 -10.229 -9.577 456 1HB ASP 60 2HB ASP 60 1.121 -11.547 -8.935 457 2HB ASP 60 1HB ASP 60 -0.016 -10.278 -9.344 458 H ASP 61 H ASP 61 -0.090 -9.137 -10.794 459 HA ASP 61 HA ASP 61 1.338 -7.423 -12.770 460 1HB ASP 61 2HB ASP 61 -0.254 -9.646 -13.249 461 2HB ASP 61 1HB ASP 61 -1.302 -8.278 -13.562 462 H THR 62 H THR 62 -1.870 -8.019 -11.357 463 HA THR 62 HA THR 62 -2.236 -5.075 -11.222 464 HB THR 62 HB THR 62 -4.628 -6.834 -11.355 465 HG1 THR 62 HG1 THR 62 -4.183 -7.001 -13.645 466 1HG2 THR 62 1HG2 THR 62 -4.749 -4.284 -11.452 467 2HG2 THR 62 2HG2 THR 62 -3.751 -4.368 -12.946 468 3HG2 THR 62 3HG2 THR 62 -5.398 -5.090 -12.923 469 H LYS 63 H LYS 63 -0.997 -5.494 -9.187 470 HA LYS 63 HA LYS 63 -2.927 -5.572 -7.026 471 1HB LYS 63 2HB LYS 63 -2.517 -7.931 -7.223 472 2HB LYS 63 1HB LYS 63 -0.786 -7.668 -7.157 473 1HG LYS 63 2HG LYS 63 -0.823 -7.124 -4.897 474 2HG LYS 63 1HG LYS 63 -2.521 -6.691 -4.929 475 1HD LYS 63 2HD LYS 63 -3.083 -9.083 -5.273 476 2HD LYS 63 1HD LYS 63 -1.383 -9.476 -5.118 477 1HE LYS 63 2HE LYS 63 -1.349 -9.043 -2.855 478 2HE LYS 63 1HE LYS 63 -2.668 -7.893 -2.949 479 1HZ LYS 63 1HZ LYS 63 -4.164 -9.713 -3.318 480 2HZ LYS 63 2HZ LYS 63 -2.918 -10.800 -3.230 481 3HZ LYS 63 3HZ LYS 63 -3.345 -9.920 -1.894 482 H VAL 64 H VAL 64 -2.439 -4.181 -5.508 483 HA VAL 64 HA VAL 64 0.351 -3.173 -5.471 484 HB VAL 64 HB VAL 64 -0.722 -1.004 -4.724 485 1HG1 VAL 64 1HG1 VAL 64 0.362 -1.257 -6.894 486 2HG1 VAL 64 2HG1 VAL 64 -1.147 -1.967 -7.565 487 3HG1 VAL 64 3HG1 VAL 64 -1.120 -0.249 -7.037 488 1HG2 VAL 64 1HG2 VAL 64 -3.160 -2.328 -5.941 489 2HG2 VAL 64 2HG2 VAL 64 -2.952 -1.852 -4.220 490 3HG2 VAL 64 3HG2 VAL 64 -3.025 -0.591 -5.499 491 H LEU 65 H LEU 65 1.405 -3.297 -3.645 492 HA LEU 65 HA LEU 65 -0.054 -4.304 -1.315 493 1HB LEU 65 2HB LEU 65 1.761 -5.540 -1.215 494 2HB LEU 65 1HB LEU 65 2.633 -4.486 -2.310 495 HG LEU 65 HG LEU 65 3.054 -3.001 -0.342 496 1HD1 LEU 65 1HD1 LEU 65 1.318 -3.810 1.153 497 2HD1 LEU 65 2HD1 LEU 65 2.104 -5.427 1.197 498 3HD1 LEU 65 3HD1 LEU 65 2.939 -4.002 1.906 499 1HD2 LEU 65 1HD2 LEU 65 4.249 -5.782 -0.315 500 2HD2 LEU 65 2HD2 LEU 65 4.804 -4.387 -1.303 501 3HD2 LEU 65 3HD2 LEU 65 4.953 -4.335 0.488 502 H CYS 66 H CYS 66 -0.640 -3.193 0.378 503 HA CYS 66 HA CYS 66 0.024 -0.331 0.396 504 1HB CYS 66 2HB CYS 66 -2.225 -0.431 0.774 505 2HB CYS 66 1HB CYS 66 -2.126 -1.971 1.604 506 HG CYS 66 HG CYS 66 -2.920 0.011 3.523 507 H ARG 67 H ARG 67 0.710 0.731 2.329 508 HA ARG 67 HA ARG 67 2.110 -1.037 4.245 509 1HB ARG 67 2HB ARG 67 3.532 0.113 2.269 510 2HB ARG 67 1HB ARG 67 3.570 1.395 3.464 511 1HG ARG 67 2HG ARG 67 4.364 -0.286 5.138 512 2HG ARG 67 1HG ARG 67 4.480 -1.454 3.836 513 1HD ARG 67 2HD ARG 67 6.410 -0.573 3.077 514 2HD ARG 67 1HD ARG 67 5.821 1.070 3.237 515 HE ARG 67 HE ARG 67 6.412 -0.177 5.800 516 1HH1 ARG 67 2HH1 ARG 67 7.821 1.611 3.066 517 2HH1 ARG 67 HH22 ARG 67 9.161 2.229 4.005 518 1HH2 ARG 67 1HH1 ARG 67 8.138 0.625 6.995 519 2HH2 ARG 67 2HH1 ARG 67 9.338 1.661 6.254 520 H ASN 68 H ASN 68 2.071 -0.391 6.295 521 HA ASN 68 HA ASN 68 0.928 2.310 6.829 522 1HB ASN 68 2HB ASN 68 0.161 1.094 9.016 523 2HB ASN 68 1HB ASN 68 -0.796 0.938 7.557 524 1HD2 ASN 68 1HD2 ASN 68 1.317 -0.587 9.821 525 2HD2 ASN 68 2HD2 ASN 68 1.154 -2.233 9.253 526 H GLU 69 H GLU 69 1.900 3.533 8.335 527 HA GLU 69 HA GLU 69 4.580 2.996 9.018 528 1HB GLU 69 2HB GLU 69 3.281 5.232 8.999 529 2HB GLU 69 1HB GLU 69 2.907 4.832 10.663 530 1HG GLU 69 2HG GLU 69 5.739 4.586 9.831 531 2HG GLU 69 1HG GLU 69 5.094 6.208 9.977 532 H GLU 70 H GLU 70 1.803 1.615 10.181 533 HA GLU 70 HA GLU 70 2.415 1.313 12.935 534 1HB GLU 70 2HB GLU 70 0.303 0.632 11.364 535 2HB GLU 70 1HB GLU 70 1.009 -0.933 11.715 536 1HG GLU 70 2HG GLU 70 -0.587 -0.477 13.437 537 2HG GLU 70 1HG GLU 70 1.004 -0.290 14.145 538 H GLY 71 H GLY 71 4.051 0.263 10.271 539 1HA GLY 71 2HA GLY 71 6.049 -0.968 10.291 540 2HA GLY 71 1HA GLY 71 5.678 -1.548 11.902 541 H LYS 72 H LYS 72 3.041 -1.767 9.834 542 HA LYS 72 HA LYS 72 3.697 -4.578 9.177 543 1HB LYS 72 2HB LYS 72 2.206 -4.949 10.868 544 2HB LYS 72 1HB LYS 72 1.296 -3.491 10.532 545 1HG LYS 72 2HG LYS 72 -0.111 -5.233 9.815 546 2HG LYS 72 1HG LYS 72 0.618 -4.630 8.341 547 1HD LYS 72 2HD LYS 72 1.233 -6.742 7.919 548 2HD LYS 72 1HD LYS 72 2.394 -6.569 9.219 549 1HE LYS 72 2HE LYS 72 1.191 -7.865 10.633 550 2HE LYS 72 1HE LYS 72 -0.339 -7.208 10.088 551 1HZ LYS 72 1HZ LYS 72 -0.174 -8.568 8.135 552 2HZ LYS 72 2HZ LYS 72 1.272 -9.190 8.650 553 3HZ LYS 72 3HZ LYS 72 -0.114 -9.507 9.498 554 H TYR 73 H TYR 73 2.615 -5.468 7.346 555 HA TYR 73 HA TYR 73 1.888 -3.357 5.359 556 1HB TYR 73 2HB TYR 73 3.405 -5.949 5.125 557 2HB TYR 73 1HB TYR 73 2.873 -5.017 3.739 558 HD1 TYR 73 HD1 TYR 73 4.625 -4.266 6.960 559 HD2 TYR 73 HD2 TYR 73 4.566 -3.838 2.714 560 HE1 TYR 73 HE1 TYR 73 6.753 -2.890 7.062 561 HE2 TYR 73 HE2 TYR 73 6.692 -2.460 2.830 562 HH TYR 73 HH TYR 73 8.198 -1.620 4.123 563 H GLY 74 H GLY 74 0.618 -4.226 3.512 564 1HA GLY 74 2HA GLY 74 -0.979 -6.614 4.030 565 2HA GLY 74 1HA GLY 74 -1.862 -5.104 4.138 566 H TYR 75 H TYR 75 -2.375 -7.180 2.288 567 HA TYR 75 HA TYR 75 -1.412 -6.062 -0.294 568 1HB TYR 75 2HB TYR 75 -2.450 -8.662 0.724 569 2HB TYR 75 1HB TYR 75 -2.674 -8.285 -0.972 570 HD1 TYR 75 HD1 TYR 75 -0.165 -6.891 -1.620 571 HD2 TYR 75 HD2 TYR 75 -0.854 -10.369 0.758 572 HE1 TYR 75 HE1 TYR 75 2.189 -7.698 -2.105 573 HE2 TYR 75 HE2 TYR 75 1.503 -11.164 0.265 574 HH TYR 75 HH TYR 75 3.349 -10.729 -0.758 575 H VAL 76 H VAL 76 -2.835 -5.523 -1.934 576 HA VAL 76 HA VAL 76 -5.707 -5.547 -1.315 577 HB VAL 76 HB VAL 76 -4.542 -3.007 -2.294 578 1HG1 VAL 76 1HG1 VAL 76 -6.962 -3.285 -2.422 579 2HG1 VAL 76 2HG1 VAL 76 -7.011 -3.668 -0.666 580 3HG1 VAL 76 3HG1 VAL 76 -6.529 -2.025 -1.215 581 1HG2 VAL 76 1HG2 VAL 76 -4.746 -3.789 0.627 582 2HG2 VAL 76 2HG2 VAL 76 -3.231 -3.485 -0.292 583 3HG2 VAL 76 3HG2 VAL 76 -4.385 -2.139 0.008 584 H LEU 77 H LEU 77 -6.832 -6.224 -2.961 585 HA LEU 77 HA LEU 77 -5.496 -6.671 -5.481 586 1HB LEU 77 2HB LEU 77 -7.422 -7.983 -4.198 587 2HB LEU 77 1HB LEU 77 -8.395 -7.042 -5.311 588 HG LEU 77 HG LEU 77 -6.497 -9.236 -5.843 589 1HD1 LEU 77 1HD1 LEU 77 -8.867 -9.752 -5.723 590 2HD1 LEU 77 2HD1 LEU 77 -9.207 -8.509 -6.977 591 3HD1 LEU 77 3HD1 LEU 77 -8.257 -9.976 -7.399 592 1HD2 LEU 77 1HD2 LEU 77 -7.158 -7.078 -7.859 593 2HD2 LEU 77 2HD2 LEU 77 -5.541 -7.430 -7.156 594 3HD2 LEU 77 3HD2 LEU 77 -6.337 -8.635 -8.226 595 H ARG 78 H ARG 78 -5.676 -5.655 -7.371 596 HA ARG 78 HA ARG 78 -6.274 -2.915 -7.389 597 1HB ARG 78 2HB ARG 78 -5.902 -2.952 -9.692 598 2HB ARG 78 1HB ARG 78 -4.952 -4.302 -9.103 599 1HG ARG 78 2HG ARG 78 -6.038 -5.562 -10.606 600 2HG ARG 78 1HG ARG 78 -7.445 -5.410 -9.573 601 1HD ARG 78 2HD ARG 78 -7.577 -3.075 -10.946 602 2HD ARG 78 1HD ARG 78 -6.863 -4.123 -12.155 603 HE ARG 78 HE ARG 78 -9.040 -5.508 -10.966 604 1HH1 ARG 78 2HH1 ARG 78 -8.461 -2.700 -13.073 605 2HH1 ARG 78 HH22 ARG 78 -10.009 -2.832 -13.877 606 1HH2 ARG 78 1HH1 ARG 78 -11.023 -5.667 -12.006 607 2HH2 ARG 78 2HH1 ARG 78 -11.473 -4.534 -13.261 608 H SER 79 H SER 79 -8.329 -5.621 -7.491 609 HA SER 79 HA SER 79 -10.504 -4.800 -8.986 610 1HB SER 79 2HB SER 79 -10.208 -6.944 -7.631 611 2HB SER 79 1HB SER 79 -10.874 -6.036 -6.288 612 HG SER 79 HG SER 79 -12.487 -7.199 -7.445 613 H TYR 80 H TYR 80 -10.023 -4.171 -5.524 614 HA TYR 80 HA TYR 80 -11.841 -1.817 -5.784 615 1HB TYR 80 2HB TYR 80 -12.000 -2.226 -3.262 616 2HB TYR 80 1HB TYR 80 -12.776 -3.398 -4.308 617 HD1 TYR 80 HD1 TYR 80 -9.899 -2.787 -2.096 618 HD2 TYR 80 HD2 TYR 80 -12.017 -5.672 -4.420 619 HE1 TYR 80 HE1 TYR 80 -8.578 -4.653 -0.995 620 HE2 TYR 80 HE2 TYR 80 -10.690 -7.527 -3.314 621 HH TYR 80 HH TYR 80 -9.158 -8.005 -1.875 622 H LEU 81 H LEU 81 -10.021 -0.536 -6.514 623 HA LEU 81 HA LEU 81 -8.767 0.817 -4.336 624 1HB LEU 81 2HB LEU 81 -7.408 -1.428 -5.101 625 2HB LEU 81 1HB LEU 81 -6.585 -0.141 -5.958 626 HG LEU 81 HG LEU 81 -7.100 0.083 -3.048 627 1HD1 LEU 81 1HD1 LEU 81 -6.076 -2.107 -3.278 628 2HD1 LEU 81 2HD1 LEU 81 -4.770 -1.397 -4.289 629 3HD1 LEU 81 3HD1 LEU 81 -4.914 -0.941 -2.556 630 1HD2 LEU 81 1HD2 LEU 81 -4.938 1.185 -4.857 631 2HD2 LEU 81 2HD2 LEU 81 -6.349 2.085 -4.199 632 3HD2 LEU 81 3HD2 LEU 81 -5.071 1.480 -3.088 633 H ALA 82 H ALA 82 -7.077 2.426 -5.236 634 HA ALA 82 HA ALA 82 -8.361 3.619 -7.614 635 1HB ALA 82 1HB ALA 82 -8.311 5.008 -5.595 636 2HB ALA 82 2HB ALA 82 -6.522 4.835 -5.525 637 3HB ALA 82 3HB ALA 82 -7.287 5.725 -6.888 638 H ASP 83 H ASP 83 -6.919 4.817 -9.108 639 HA ASP 83 HA ASP 83 -5.075 3.048 -10.310 640 1HB ASP 83 2HB ASP 83 -4.875 6.015 -10.596 641 2HB ASP 83 1HB ASP 83 -4.552 4.777 -11.793 Start of MODEL 12 1 H GLU 7 H1 GLU 7 10.859 -4.797 14.060 2 HA GLU 7 HA GLU 7 9.471 -5.188 15.892 3 1HB GLU 7 2HB GLU 7 7.548 -3.807 14.187 4 2HB GLU 7 1HB GLU 7 6.915 -5.238 14.974 5 1HG GLU 7 2HG GLU 7 8.489 -3.679 16.817 6 2HG GLU 7 1HG GLU 7 7.227 -2.698 16.101 7 H LYS 8 H LYS 8 7.631 -6.993 15.875 8 HA LYS 8 HA LYS 8 8.822 -9.111 14.270 9 1HB LYS 8 2HB LYS 8 7.502 -10.629 15.604 10 2HB LYS 8 1HB LYS 8 8.341 -9.487 16.635 11 1HG LYS 8 2HG LYS 8 6.394 -8.862 17.531 12 2HG LYS 8 1HG LYS 8 5.829 -8.355 15.952 13 1HD LYS 8 2HD LYS 8 4.603 -10.243 15.636 14 2HD LYS 8 1HD LYS 8 5.762 -11.258 16.470 15 1HE LYS 8 2HE LYS 8 4.004 -9.302 17.927 16 2HE LYS 8 1HE LYS 8 3.505 -10.951 17.610 17 1HZ LYS 8 1HZ LYS 8 5.439 -11.711 18.781 18 2HZ LYS 8 2HZ LYS 8 5.910 -10.152 19.081 19 3HZ LYS 8 3HZ LYS 8 4.518 -10.740 19.757 20 H GLU 9 H GLU 9 6.363 -6.880 13.971 21 HA GLU 9 HA GLU 9 4.416 -8.379 12.560 22 1HB GLU 9 2HB GLU 9 4.983 -5.564 13.025 23 2HB GLU 9 1HB GLU 9 4.234 -5.880 11.473 24 1HG GLU 9 2HG GLU 9 2.293 -6.679 12.417 25 2HG GLU 9 1HG GLU 9 3.099 -7.210 13.880 26 H GLU 10 H GLU 10 7.355 -6.754 11.563 27 HA GLU 10 HA GLU 10 6.964 -6.993 8.769 28 1HB GLU 10 2HB GLU 10 8.649 -5.515 9.439 29 2HB GLU 10 1HB GLU 10 9.421 -6.719 10.451 30 1HG GLU 10 2HG GLU 10 10.504 -7.694 8.699 31 2HG GLU 10 1HG GLU 10 9.198 -7.372 7.577 32 H LYS 11 H LYS 11 8.245 -9.171 11.185 33 HA LYS 11 HA LYS 11 9.230 -11.108 9.336 34 1HB LYS 11 2HB LYS 11 8.820 -10.958 12.232 35 2HB LYS 11 1HB LYS 11 8.796 -12.571 11.547 36 1HG LYS 11 2HG LYS 11 11.049 -12.341 11.930 37 2HG LYS 11 1HG LYS 11 10.956 -11.705 10.300 38 1HD LYS 11 2HD LYS 11 10.416 -9.518 11.938 39 2HD LYS 11 1HD LYS 11 11.719 -10.365 12.747 40 1HE LYS 11 2HE LYS 11 12.690 -10.446 10.270 41 2HE LYS 11 1HE LYS 11 11.701 -9.008 10.109 42 1HZ LYS 11 1HZ LYS 11 12.824 -8.083 11.999 43 2HZ LYS 11 2HZ LYS 11 13.758 -9.442 12.152 44 3HZ LYS 11 3HZ LYS 11 13.914 -8.476 10.816 45 H ASP 12 H ASP 12 6.137 -10.444 10.764 46 HA ASP 12 HA ASP 12 4.873 -12.908 10.008 47 1HB ASP 12 2HB ASP 12 4.117 -10.452 11.253 48 2HB ASP 12 1HB ASP 12 2.976 -10.829 9.978 49 H PHE 13 H PHE 13 5.238 -9.721 8.547 50 HA PHE 13 HA PHE 13 3.570 -10.184 6.273 51 1HB PHE 13 2HB PHE 13 4.031 -7.966 6.626 52 2HB PHE 13 1HB PHE 13 5.679 -8.286 7.130 53 HD1 PHE 13 HD1 PHE 13 3.476 -7.731 4.276 54 HD2 PHE 13 HD2 PHE 13 7.464 -8.403 5.526 55 HE1 PHE 13 HE1 PHE 13 4.300 -7.048 2.013 56 HE2 PHE 13 HE2 PHE 13 8.289 -7.718 3.262 57 HZ PHE 13 HZ PHE 13 6.697 -7.047 1.533 58 H ARG 14 H ARG 14 7.102 -10.231 6.685 59 HA ARG 14 HA ARG 14 7.722 -11.086 4.066 60 1HB ARG 14 2HB ARG 14 9.580 -10.321 5.194 61 2HB ARG 14 1HB ARG 14 9.158 -11.166 6.670 62 1HG ARG 14 2HG ARG 14 9.892 -13.243 5.815 63 2HG ARG 14 1HG ARG 14 9.945 -12.635 4.172 64 1HD ARG 14 2HD ARG 14 11.692 -11.446 6.300 65 2HD ARG 14 1HD ARG 14 12.178 -12.899 5.451 66 HE ARG 14 HE ARG 14 11.378 -10.981 3.518 67 1HH1 ARG 14 2HH1 ARG 14 13.985 -11.495 5.884 68 2HH1 ARG 14 HH22 ARG 14 15.158 -10.571 4.974 69 1HH2 ARG 14 1HH1 ARG 14 12.896 -9.796 2.357 70 2HH2 ARG 14 2HH1 ARG 14 14.529 -9.600 2.954 71 H LYS 15 H LYS 15 6.635 -12.786 6.882 72 HA LYS 15 HA LYS 15 7.426 -15.390 6.229 73 1HB LYS 15 2HB LYS 15 6.570 -15.408 8.305 74 2HB LYS 15 1HB LYS 15 5.362 -14.195 7.933 75 1HG LYS 15 2HG LYS 15 4.902 -16.692 6.515 76 2HG LYS 15 1HG LYS 15 4.895 -16.899 8.255 77 1HD LYS 15 2HD LYS 15 3.198 -15.191 8.497 78 2HD LYS 15 1HD LYS 15 3.273 -14.826 6.785 79 1HE LYS 15 2HE LYS 15 1.362 -16.203 7.057 80 2HE LYS 15 1HE LYS 15 2.599 -17.246 6.384 81 1HZ LYS 15 1HZ LYS 15 3.065 -18.035 8.586 82 2HZ LYS 15 2HZ LYS 15 1.897 -17.049 9.223 83 3HZ LYS 15 3HZ LYS 15 1.473 -18.287 8.208 84 H LYS 16 H LYS 16 4.311 -13.841 5.528 85 HA LYS 16 HA LYS 16 3.735 -15.909 3.554 86 1HB LYS 16 2HB LYS 16 2.071 -14.796 5.189 87 2HB LYS 16 1HB LYS 16 2.010 -13.524 3.986 88 1HG LYS 16 2HG LYS 16 0.359 -14.821 3.118 89 2HG LYS 16 1HG LYS 16 1.710 -15.666 2.390 90 1HD LYS 16 2HD LYS 16 1.201 -16.626 5.067 91 2HD LYS 16 1HD LYS 16 -0.231 -16.759 4.066 92 1HE LYS 16 2HE LYS 16 0.906 -18.788 3.718 93 2HE LYS 16 1HE LYS 16 1.315 -17.822 2.315 94 1HZ LYS 16 1HZ LYS 16 3.364 -17.228 3.382 95 2HZ LYS 16 2HZ LYS 16 2.978 -18.141 4.708 96 3HZ LYS 16 3HZ LYS 16 3.241 -18.873 3.246 97 H PHE 17 H PHE 17 4.823 -12.625 3.719 98 HA PHE 17 HA PHE 17 4.589 -12.216 0.822 99 1HB PHE 17 2HB PHE 17 5.593 -10.642 3.172 100 2HB PHE 17 1HB PHE 17 5.819 -10.077 1.529 101 HD1 PHE 17 HD1 PHE 17 4.275 -8.590 0.723 102 HD2 PHE 17 HD2 PHE 17 3.073 -11.374 3.677 103 HE1 PHE 17 HE1 PHE 17 1.990 -7.566 0.760 104 HE2 PHE 17 HE2 PHE 17 0.789 -10.349 3.714 105 HZ PHE 17 HZ PHE 17 0.275 -8.457 2.255 106 H LYS 18 H LYS 18 6.274 -14.392 1.898 107 HA LYS 18 HA LYS 18 8.935 -14.019 2.054 108 1HB LYS 18 2HB LYS 18 7.266 -16.128 1.112 109 2HB LYS 18 1HB LYS 18 8.731 -16.059 0.153 110 1HG LYS 18 2HG LYS 18 8.840 -15.940 3.146 111 2HG LYS 18 1HG LYS 18 8.757 -17.476 2.308 112 1HD LYS 18 2HD LYS 18 10.810 -17.047 1.158 113 2HD LYS 18 1HD LYS 18 10.840 -15.386 1.713 114 1HE LYS 18 2HE LYS 18 10.729 -16.712 4.079 115 2HE LYS 18 1HE LYS 18 11.644 -17.847 3.107 116 1HZ LYS 18 1HZ LYS 18 13.155 -16.085 2.559 117 2HZ LYS 18 2HZ LYS 18 12.290 -15.012 3.477 118 3HZ LYS 18 3HZ LYS 18 13.070 -16.281 4.201 119 H TYR 19 H TYR 19 7.239 -12.316 0.030 120 HA TYR 19 HA TYR 19 8.623 -12.409 -2.459 121 1HB TYR 19 2HB TYR 19 6.701 -11.198 -2.602 122 2HB TYR 19 1HB TYR 19 6.822 -10.635 -0.947 123 HD1 TYR 19 HD1 TYR 19 6.890 -8.340 -0.764 124 HD2 TYR 19 HD2 TYR 19 8.847 -10.209 -4.064 125 HE1 TYR 19 HE1 TYR 19 7.669 -6.073 -1.595 126 HE2 TYR 19 HE2 TYR 19 9.620 -7.938 -4.884 127 HH TYR 19 HH TYR 19 9.600 -5.814 -4.518 128 H ASP 20 H ASP 20 10.654 -11.931 -2.903 129 HA ASP 20 HA ASP 20 12.154 -10.183 -1.037 130 1HB ASP 20 2HB ASP 20 12.925 -12.232 -3.060 131 2HB ASP 20 1HB ASP 20 14.071 -10.987 -2.606 132 H GLY 21 H GLY 21 11.615 -8.143 -1.613 133 1HA GLY 21 2HA GLY 21 12.650 -7.248 -4.219 134 2HA GLY 21 1HA GLY 21 10.959 -6.931 -3.887 135 H GLU 22 H GLU 22 11.837 -4.698 -4.258 136 HA GLU 22 HA GLU 22 13.091 -3.628 -1.803 137 1HB GLU 22 2HB GLU 22 14.271 -3.056 -3.833 138 2HB GLU 22 1HB GLU 22 12.807 -2.386 -4.523 139 1HG GLU 22 2HG GLU 22 12.811 -0.871 -2.407 140 2HG GLU 22 1HG GLU 22 14.504 -1.312 -2.307 141 H ILE 23 H ILE 23 11.399 -3.549 -0.418 142 HA ILE 23 HA ILE 23 8.874 -2.428 -1.164 143 HB ILE 23 HB ILE 23 10.031 -3.655 1.130 144 1HG1 ILE 23 2HG1 ILE 23 7.126 -3.220 0.585 145 2HG1 ILE 23 1HG1 ILE 23 8.084 -4.379 -0.315 146 1HG2 ILE 23 1HG2 ILE 23 9.985 -1.452 2.153 147 2HG2 ILE 23 2HG2 ILE 23 8.259 -1.264 1.685 148 3HG2 ILE 23 3HG2 ILE 23 8.734 -2.513 2.888 149 1HD1 ILE 23 1HG1 ILE 23 8.695 -5.536 1.783 150 2HD1 ILE 23 2HG1 ILE 23 7.712 -4.347 2.706 151 3HD1 ILE 23 3HG1 ILE 23 6.912 -5.478 1.560 152 H ARG 24 H ARG 24 8.679 -0.457 -1.861 153 HA ARG 24 HA ARG 24 9.466 1.729 -0.104 154 1HB ARG 24 2HB ARG 24 11.523 1.346 -1.432 155 2HB ARG 24 1HB ARG 24 10.593 1.623 -2.891 156 1HG ARG 24 2HG ARG 24 10.214 3.749 -0.961 157 2HG ARG 24 1HG ARG 24 11.903 3.551 -1.382 158 1HD ARG 24 2HD ARG 24 11.177 3.587 -3.809 159 2HD ARG 24 1HD ARG 24 9.598 4.092 -3.241 160 HE ARG 24 HE ARG 24 10.441 6.219 -2.800 161 1HH1 ARG 24 2HH1 ARG 24 13.137 3.946 -3.271 162 2HH1 ARG 24 HH22 ARG 24 14.355 5.202 -3.263 163 1HH2 ARG 24 1HH1 ARG 24 12.016 7.821 -2.792 164 2HH2 ARG 24 2HH1 ARG 24 13.707 7.419 -2.988 165 H VAL 25 H VAL 25 7.740 2.931 -0.001 166 HA VAL 25 HA VAL 25 5.662 2.817 -1.947 167 HB VAL 25 HB VAL 25 6.118 4.857 0.191 168 1HG1 VAL 25 1HG1 VAL 25 4.477 5.612 -1.448 169 2HG1 VAL 25 2HG1 VAL 25 3.586 4.060 -1.271 170 3HG1 VAL 25 3HG1 VAL 25 3.679 5.206 0.112 171 1HG2 VAL 25 1HG2 VAL 25 4.597 2.239 0.305 172 2HG2 VAL 25 2HG2 VAL 25 6.141 2.614 1.147 173 3HG2 VAL 25 3HG2 VAL 25 4.635 3.484 1.602 174 H LEU 26 H LEU 26 6.177 3.321 -3.962 175 HA LEU 26 HA LEU 26 7.667 5.796 -4.457 176 1HB LEU 26 2HB LEU 26 7.976 3.488 -5.613 177 2HB LEU 26 1HB LEU 26 6.676 4.064 -6.635 178 HG LEU 26 HG LEU 26 9.479 4.889 -6.489 179 1HD1 LEU 26 1HD1 LEU 26 8.682 3.560 -8.359 180 2HD1 LEU 26 2HD1 LEU 26 7.442 4.808 -8.726 181 3HD1 LEU 26 3HD1 LEU 26 9.188 5.193 -8.917 182 1HD2 LEU 26 1HD2 LEU 26 7.288 6.889 -7.092 183 2HD2 LEU 26 2HD2 LEU 26 8.433 6.938 -5.707 184 3HD2 LEU 26 3HD2 LEU 26 9.044 7.143 -7.386 185 H TYR 27 H TYR 27 4.564 4.313 -5.254 186 HA TYR 27 HA TYR 27 3.478 7.058 -5.713 187 1HB TYR 27 2HB TYR 27 2.138 6.098 -7.475 188 2HB TYR 27 1HB TYR 27 3.815 5.681 -7.763 189 HD1 TYR 27 HD1 TYR 27 4.615 3.360 -7.119 190 HD2 TYR 27 HD2 TYR 27 0.487 4.431 -7.289 191 HE1 TYR 27 HE1 TYR 27 3.976 0.908 -7.243 192 HE2 TYR 27 HE2 TYR 27 -0.138 1.975 -7.412 193 HH TYR 27 HH TYR 27 0.602 -0.047 -7.450 194 H SER 28 H SER 28 2.803 7.092 -3.507 195 HA SER 28 HA SER 28 1.069 5.048 -2.464 196 1HB SER 28 2HB SER 28 0.647 6.637 -0.639 197 2HB SER 28 1HB SER 28 2.357 6.412 -0.947 198 HG SER 28 HG SER 28 1.801 8.628 -0.674 199 H THR 29 H THR 29 -0.821 4.617 -3.298 200 HA THR 29 HA THR 29 -2.398 6.772 -4.503 201 HB THR 29 HB THR 29 -1.980 4.260 -5.337 202 HG1 THR 29 HG1 THR 29 -3.944 4.725 -6.521 203 1HG2 THR 29 1HG2 THR 29 -3.270 3.263 -3.371 204 2HG2 THR 29 2HG2 THR 29 -4.691 4.221 -3.912 205 3HG2 THR 29 3HG2 THR 29 -4.025 2.927 -4.967 206 H LYS 30 H LYS 30 -4.681 7.005 -4.039 207 HA LYS 30 HA LYS 30 -5.105 6.804 -1.127 208 1HB LYS 30 2HB LYS 30 -5.237 9.013 -2.479 209 2HB LYS 30 1HB LYS 30 -6.839 8.440 -2.898 210 1HG LYS 30 2HG LYS 30 -6.405 8.099 -0.086 211 2HG LYS 30 1HG LYS 30 -6.050 9.754 -0.536 212 1HD LYS 30 2HD LYS 30 -8.448 8.861 -1.848 213 2HD LYS 30 1HD LYS 30 -8.578 8.619 -0.117 214 1HE LYS 30 2HE LYS 30 -7.569 11.222 -1.194 215 2HE LYS 30 1HE LYS 30 -9.291 10.907 -1.130 216 1HZ LYS 30 1HZ LYS 30 -9.078 10.482 1.207 217 2HZ LYS 30 2HZ LYS 30 -7.450 10.779 1.147 218 3HZ LYS 30 3HZ LYS 30 -8.526 12.001 0.845 219 H VAL 31 H VAL 31 -6.717 5.714 -0.215 220 HA VAL 31 HA VAL 31 -7.953 3.669 -1.819 221 HB VAL 31 HB VAL 31 -8.843 4.258 0.937 222 1HG1 VAL 31 1HG1 VAL 31 -9.815 2.348 -0.229 223 2HG1 VAL 31 2HG1 VAL 31 -8.167 1.694 -0.530 224 3HG1 VAL 31 3HG1 VAL 31 -8.798 1.802 1.150 225 1HG2 VAL 31 1HG2 VAL 31 -6.122 3.113 0.254 226 2HG2 VAL 31 2HG2 VAL 31 -6.444 4.685 1.063 227 3HG2 VAL 31 3HG2 VAL 31 -6.861 3.146 1.893 228 H THR 32 H THR 32 -9.700 3.778 -2.976 229 HA THR 32 HA THR 32 -11.345 6.154 -2.890 230 HB THR 32 HB THR 32 -10.698 4.853 -4.979 231 HG1 THR 32 HG1 THR 32 -12.862 5.274 -5.765 232 1HG2 THR 32 1HG2 THR 32 -11.351 2.549 -4.091 233 2HG2 THR 32 2HG2 THR 32 -13.051 3.133 -4.036 234 3HG2 THR 32 3HG2 THR 32 -12.197 2.997 -5.613 235 H THR 33 H THR 33 -13.831 5.688 -3.134 236 HA THR 33 HA THR 33 -14.615 4.671 -0.528 237 HB THR 33 HB THR 33 -15.549 6.776 -1.487 238 HG1 THR 33 HG1 THR 33 -17.703 6.081 -0.897 239 1HG2 THR 33 1HG2 THR 33 -15.817 5.939 -3.885 240 2HG2 THR 33 2HG2 THR 33 -17.090 4.826 -3.275 241 3HG2 THR 33 3HG2 THR 33 -17.333 6.605 -3.185 242 H SER 34 H SER 34 -14.294 3.452 -3.660 243 HA SER 34 HA SER 34 -16.264 1.309 -3.201 244 1HB SER 34 2HB SER 34 -16.472 2.019 -5.390 245 2HB SER 34 1HB SER 34 -14.747 2.255 -5.582 246 HG SER 34 HG SER 34 -15.507 0.393 -6.699 247 H ILE 35 H ILE 35 -13.487 1.838 -1.941 248 HA ILE 35 HA ILE 35 -11.930 -0.441 -2.726 249 HB ILE 35 HB ILE 35 -11.473 1.833 -1.288 250 1HG1 ILE 35 2HG1 ILE 35 -10.022 -0.027 -2.640 251 2HG1 ILE 35 1HG1 ILE 35 -9.368 1.391 -1.844 252 1HG2 ILE 35 1HG2 ILE 35 -12.342 0.856 0.761 253 2HG2 ILE 35 2HG2 ILE 35 -11.220 -0.537 0.578 254 3HG2 ILE 35 3HG2 ILE 35 -10.566 1.109 0.886 255 1HD1 ILE 35 1HG1 ILE 35 -8.987 0.085 0.220 256 2HD1 ILE 35 2HG1 ILE 35 -9.657 -1.370 -0.597 257 3HD1 ILE 35 3HG1 ILE 35 -8.124 -0.637 -1.183 258 H THR 36 H THR 36 -11.218 -2.048 -0.989 259 HA THR 36 HA THR 36 -13.549 -3.580 -0.331 260 HB THR 36 HB THR 36 -11.538 -4.744 -0.966 261 HG1 THR 36 HG1 THR 36 -11.380 -6.004 0.999 262 1HG2 THR 36 1HG2 THR 36 -9.871 -3.006 -0.116 263 2HG2 THR 36 2HG2 THR 36 -10.283 -3.535 1.552 264 3HG2 THR 36 3HG2 THR 36 -9.493 -4.681 0.415 265 H SER 37 H SER 37 -14.874 -3.300 1.271 266 HA SER 37 HA SER 37 -13.775 -2.167 3.789 267 1HB SER 37 2HB SER 37 -15.312 -0.574 3.720 268 2HB SER 37 1HB SER 37 -15.873 -1.186 2.177 269 HG SER 37 HG SER 37 -17.545 -1.126 3.756 270 H LYS 38 H LYS 38 -15.695 -4.574 2.221 271 HA LYS 38 HA LYS 38 -16.337 -5.772 4.847 272 1HB LYS 38 2HB LYS 38 -18.234 -6.657 3.985 273 2HB LYS 38 1HB LYS 38 -18.082 -5.260 2.940 274 1HG LYS 38 2HG LYS 38 -17.032 -6.611 1.221 275 2HG LYS 38 1HG LYS 38 -17.043 -8.010 2.276 276 1HD LYS 38 2HD LYS 38 -18.921 -8.403 0.980 277 2HD LYS 38 1HD LYS 38 -19.621 -7.576 2.357 278 1HE LYS 38 2HE LYS 38 -20.539 -6.611 0.350 279 2HE LYS 38 1HE LYS 38 -19.458 -5.439 1.076 280 1HZ LYS 38 1HZ LYS 38 -17.763 -6.125 -0.456 281 2HZ LYS 38 2HZ LYS 38 -18.785 -7.232 -1.142 282 3HZ LYS 38 3HZ LYS 38 -19.108 -5.614 -1.275 283 H LYS 39 H LYS 39 -15.080 -6.523 1.636 284 HA LYS 39 HA LYS 39 -14.230 -9.154 2.358 285 1HB LYS 39 2HB LYS 39 -14.448 -7.723 0.007 286 2HB LYS 39 1HB LYS 39 -12.730 -8.022 0.177 287 1HG LYS 39 2HG LYS 39 -13.590 -9.888 -1.003 288 2HG LYS 39 1HG LYS 39 -13.334 -10.443 0.639 289 1HD LYS 39 2HD LYS 39 -15.468 -11.261 0.035 290 2HD LYS 39 1HD LYS 39 -15.781 -9.871 1.054 291 1HE LYS 39 2HE LYS 39 -17.249 -9.710 -0.831 292 2HE LYS 39 1HE LYS 39 -16.002 -8.497 -1.042 293 1HZ LYS 39 1HZ LYS 39 -14.858 -9.997 -2.502 294 2HZ LYS 39 2HZ LYS 39 -16.036 -11.144 -2.303 295 3HZ LYS 39 3HZ LYS 39 -16.392 -9.712 -3.055 296 H TRP 40 H TRP 40 -12.618 -9.818 3.522 297 HA TRP 40 HA TRP 40 -10.188 -8.178 3.673 298 1HB TRP 40 2HB TRP 40 -11.794 -8.946 6.083 299 2HB TRP 40 1HB TRP 40 -10.137 -8.379 6.145 300 HD1 TRP 40 HD1 TRP 40 -13.116 -6.929 7.116 301 HE1 TRP 40 HE1 TRP 40 -9.467 -6.615 3.605 302 HE3 TRP 40 HE3 TRP 40 -13.371 -4.403 6.606 303 HZ2 TRP 40 HZ2 TRP 40 -9.050 -4.395 2.558 304 HZ3 TRP 40 HZ3 TRP 40 -12.126 -2.520 4.884 305 HH2 TRP 40 HH2 TRP 40 -10.311 -2.392 3.146 306 H GLY 41 H GLY 41 -8.420 -9.360 3.617 307 1HA GLY 41 2HA GLY 41 -8.750 -12.291 4.045 308 2HA GLY 41 1HA GLY 41 -7.729 -11.607 2.797 309 H THR 42 H THR 42 -6.848 -13.449 4.710 310 HA THR 42 HA THR 42 -5.627 -12.320 6.972 311 HB THR 42 HB THR 42 -4.048 -14.370 6.636 312 HG1 THR 42 HG1 THR 42 -4.961 -15.708 4.948 313 1HG2 THR 42 1HG2 THR 42 -6.190 -14.470 8.025 314 2HG2 THR 42 2HG2 THR 42 -7.070 -14.849 6.504 315 3HG2 THR 42 3HG2 THR 42 -5.838 -15.994 7.138 316 H ARG 43 H ARG 43 -4.616 -12.446 3.627 317 HA ARG 43 HA ARG 43 -2.095 -11.071 4.304 318 1HB ARG 43 2HB ARG 43 -3.030 -12.708 2.064 319 2HB ARG 43 1HB ARG 43 -2.084 -11.309 1.595 320 1HG ARG 43 2HG ARG 43 -0.433 -12.096 3.426 321 2HG ARG 43 1HG ARG 43 -1.277 -13.627 3.313 322 1HD ARG 43 2HD ARG 43 -0.296 -12.316 0.815 323 2HD ARG 43 1HD ARG 43 0.837 -13.189 1.826 324 HE ARG 43 HE ARG 43 -0.216 -15.221 1.278 325 1HH1 ARG 43 2HH1 ARG 43 -2.064 -12.460 0.006 326 2HH1 ARG 43 HH22 ARG 43 -3.089 -13.457 -1.002 327 1HH2 ARG 43 1HH1 ARG 43 -1.540 -16.489 -0.022 328 2HH2 ARG 43 2HH1 ARG 43 -2.784 -15.763 -1.014 329 H ASP 44 H ASP 44 -5.115 -10.152 4.024 330 HA ASP 44 HA ASP 44 -4.577 -7.805 2.286 331 1HB ASP 44 2HB ASP 44 -6.813 -9.456 2.565 332 2HB ASP 44 1HB ASP 44 -7.240 -7.951 3.354 333 H LEU 45 H LEU 45 -5.440 -5.730 3.027 334 HA LEU 45 HA LEU 45 -4.878 -5.422 5.905 335 1HB LEU 45 2HB LEU 45 -3.867 -4.083 3.809 336 2HB LEU 45 1HB LEU 45 -5.181 -3.024 4.277 337 HG LEU 45 HG LEU 45 -4.213 -3.088 6.594 338 1HD1 LEU 45 1HD1 LEU 45 -2.800 -5.053 6.379 339 2HD1 LEU 45 2HD1 LEU 45 -1.825 -4.220 5.119 340 3HD1 LEU 45 3HD1 LEU 45 -1.815 -3.611 6.810 341 1HD2 LEU 45 1HD2 LEU 45 -2.603 -1.797 4.380 342 2HD2 LEU 45 2HD2 LEU 45 -4.062 -1.118 5.181 343 3HD2 LEU 45 3HD2 LEU 45 -2.543 -1.340 6.118 344 H GLN 46 H GLN 46 -6.178 -4.113 7.238 345 HA GLN 46 HA GLN 46 -9.011 -4.442 6.566 346 1HB GLN 46 2HB GLN 46 -8.435 -5.195 8.743 347 2HB GLN 46 1HB GLN 46 -7.616 -3.690 9.113 348 1HG GLN 46 2HG GLN 46 -9.572 -2.558 9.486 349 2HG GLN 46 1HG GLN 46 -10.477 -3.531 8.344 350 1HE2 GLN 46 1HE2 GLN 46 -10.780 -5.837 8.927 351 2HE2 GLN 46 2HE2 GLN 46 -11.163 -6.214 10.592 352 H VAL 47 H VAL 47 -7.429 -2.518 5.132 353 HA VAL 47 HA VAL 47 -7.937 0.107 6.098 354 HB VAL 47 HB VAL 47 -7.373 0.842 3.880 355 1HG1 VAL 47 1HG1 VAL 47 -5.536 0.205 5.353 356 2HG1 VAL 47 2HG1 VAL 47 -5.660 -1.493 4.774 357 3HG1 VAL 47 3HG1 VAL 47 -5.148 -0.192 3.643 358 1HG2 VAL 47 1HG2 VAL 47 -7.560 -2.075 3.083 359 2HG2 VAL 47 2HG2 VAL 47 -8.666 -0.755 2.567 360 3HG2 VAL 47 3HG2 VAL 47 -6.946 -0.744 2.042 361 H LYS 48 H LYS 48 -9.379 1.696 5.156 362 HA LYS 48 HA LYS 48 -11.974 0.441 4.470 363 1HB LYS 48 2HB LYS 48 -11.306 2.253 6.571 364 2HB LYS 48 1HB LYS 48 -12.487 2.985 5.503 365 1HG LYS 48 2HG LYS 48 -13.758 1.812 7.112 366 2HG LYS 48 1HG LYS 48 -13.780 0.795 5.686 367 1HD LYS 48 2HD LYS 48 -13.292 -0.734 7.366 368 2HD LYS 48 1HD LYS 48 -11.697 -0.327 6.766 369 1HE LYS 48 2HE LYS 48 -11.169 0.160 8.893 370 2HE LYS 48 1HE LYS 48 -12.164 1.590 8.702 371 1HZ LYS 48 1HZ LYS 48 -14.035 0.335 9.488 372 2HZ LYS 48 2HZ LYS 48 -13.095 -1.017 9.668 373 3HZ LYS 48 3HZ LYS 48 -12.816 0.317 10.609 374 HA PRO 49 HA PRO 49 -11.971 2.692 0.805 375 1HB PRO 49 2HB PRO 49 -14.673 3.018 0.372 376 2HB PRO 49 1HB PRO 49 -13.768 1.559 0.022 377 1HG PRO 49 2HG PRO 49 -15.660 2.083 2.191 378 2HG PRO 49 1HG PRO 49 -15.081 0.548 1.575 379 1HD PRO 49 2HD PRO 49 -14.273 1.853 3.966 380 2HD PRO 49 1HD PRO 49 -13.613 0.377 3.291 381 H GLY 50 H GLY 50 -11.448 4.704 0.397 382 1HA GLY 50 2HA GLY 50 -12.001 7.029 0.208 383 2HA GLY 50 1HA GLY 50 -13.088 6.872 1.574 384 H GLU 51 H GLU 51 -10.118 5.252 1.891 385 HA GLU 51 HA GLU 51 -9.126 7.428 3.646 386 1HB GLU 51 2HB GLU 51 -9.415 4.579 4.082 387 2HB GLU 51 1HB GLU 51 -7.798 5.154 4.434 388 1HG GLU 51 2HG GLU 51 -9.090 5.331 6.447 389 2HG GLU 51 1HG GLU 51 -8.827 6.953 5.839 390 H SER 52 H SER 52 -6.699 7.239 4.041 391 HA SER 52 HA SER 52 -5.439 7.047 1.365 392 1HB SER 52 2HB SER 52 -4.039 8.763 1.914 393 2HB SER 52 1HB SER 52 -5.445 9.204 2.862 394 HG SER 52 HG SER 52 -3.498 9.304 4.084 395 H LEU 53 H LEU 53 -3.920 5.627 0.936 396 HA LEU 53 HA LEU 53 -2.492 4.368 3.173 397 1HB LEU 53 2HB LEU 53 -3.279 2.317 2.943 398 2HB LEU 53 1HB LEU 53 -4.645 3.113 2.188 399 HG LEU 53 HG LEU 53 -3.689 2.679 0.006 400 1HD1 LEU 53 1HD1 LEU 53 -1.323 2.700 0.555 401 2HD1 LEU 53 2HD1 LEU 53 -1.525 1.187 1.506 402 3HD1 LEU 53 3HD1 LEU 53 -1.764 1.168 -0.276 403 1HD2 LEU 53 1HD2 LEU 53 -3.975 0.204 1.722 404 2HD2 LEU 53 2HD2 LEU 53 -5.302 1.104 0.907 405 3HD2 LEU 53 3HD2 LEU 53 -4.062 0.246 -0.073 406 H GLU 54 H GLU 54 -0.480 3.581 2.701 407 HA GLU 54 HA GLU 54 0.731 4.839 0.388 408 1HB GLU 54 2HB GLU 54 1.660 3.650 2.865 409 2HB GLU 54 1HB GLU 54 2.676 3.255 1.494 410 1HG GLU 54 2HG GLU 54 2.774 5.685 0.942 411 2HG GLU 54 1HG GLU 54 1.894 6.014 2.421 412 H VAL 55 H VAL 55 1.181 4.025 -1.509 413 HA VAL 55 HA VAL 55 0.595 1.159 -1.909 414 HB VAL 55 HB VAL 55 0.539 3.545 -3.656 415 1HG1 VAL 55 1HG1 VAL 55 1.967 2.006 -4.897 416 2HG1 VAL 55 2HG1 VAL 55 0.752 0.699 -4.673 417 3HG1 VAL 55 3HG1 VAL 55 0.349 2.138 -5.671 418 1HG2 VAL 55 1HG2 VAL 55 -1.367 1.227 -3.242 419 2HG2 VAL 55 2HG2 VAL 55 -1.523 2.875 -2.541 420 3HG2 VAL 55 3HG2 VAL 55 -1.655 2.638 -4.318 421 H ILE 56 H ILE 56 2.101 -0.278 -2.246 422 HA ILE 56 HA ILE 56 4.860 0.701 -2.491 423 HB ILE 56 HB ILE 56 3.962 -2.098 -2.009 424 1HG1 ILE 56 2HG1 ILE 56 4.239 0.173 -0.126 425 2HG1 ILE 56 1HG1 ILE 56 3.037 -1.101 -0.174 426 1HG2 ILE 56 1HG2 ILE 56 6.256 -1.931 -2.794 427 2HG2 ILE 56 2HG2 ILE 56 6.610 -0.718 -1.514 428 3HG2 ILE 56 3HG2 ILE 56 6.215 -2.413 -1.062 429 1HD1 ILE 56 1HG1 ILE 56 4.716 -2.747 0.594 430 2HD1 ILE 56 2HG1 ILE 56 5.949 -1.440 0.644 431 3HD1 ILE 56 3HG1 ILE 56 4.543 -1.391 1.762 432 H GLN 57 H GLN 57 5.374 -2.145 -3.576 433 HA GLN 57 HA GLN 57 5.179 -1.293 -6.387 434 1HB GLN 57 2HB GLN 57 6.841 -3.333 -4.975 435 2HB GLN 57 1HB GLN 57 6.671 -3.352 -6.719 436 1HG GLN 57 2HG GLN 57 7.620 -0.977 -5.124 437 2HG GLN 57 1HG GLN 57 8.678 -2.104 -5.948 438 1HE2 GLN 57 1HE2 GLN 57 6.488 0.535 -6.209 439 2HE2 GLN 57 2HE2 GLN 57 6.686 0.870 -7.914 440 H THR 58 H THR 58 4.499 -2.717 -8.046 441 HA THR 58 HA THR 58 2.033 -4.000 -7.402 442 HB THR 58 HB THR 58 2.283 -4.721 -9.898 443 HG1 THR 58 HG1 THR 58 4.050 -3.497 -10.823 444 1HG2 THR 58 1HG2 THR 58 1.052 -2.601 -9.173 445 2HG2 THR 58 2HG2 THR 58 2.638 -1.755 -9.218 446 3HG2 THR 58 3HG2 THR 58 1.932 -2.422 -10.731 447 H THR 59 H THR 59 1.661 -5.886 -6.560 448 HA THR 59 HA THR 59 3.639 -7.738 -5.891 449 HB THR 59 HB THR 59 0.665 -7.764 -6.027 450 HG1 THR 59 HG1 THR 59 1.198 -8.225 -3.796 451 1HG2 THR 59 1HG2 THR 59 1.363 -10.100 -6.789 452 2HG2 THR 59 2HG2 THR 59 2.387 -10.194 -5.315 453 3HG2 THR 59 3HG2 THR 59 0.600 -10.075 -5.161 454 H ASP 60 H ASP 60 1.100 -8.516 -8.226 455 HA ASP 60 HA ASP 60 3.112 -10.074 -9.759 456 1HB ASP 60 2HB ASP 60 1.333 -11.487 -9.153 457 2HB ASP 60 1HB ASP 60 0.136 -10.256 -9.502 458 H ASP 61 H ASP 61 0.005 -9.073 -10.948 459 HA ASP 61 HA ASP 61 1.367 -7.311 -12.929 460 1HB ASP 61 2HB ASP 61 -0.791 -9.319 -13.190 461 2HB ASP 61 1HB ASP 61 -0.925 -7.861 -14.153 462 H THR 62 H THR 62 -1.812 -7.977 -11.479 463 HA THR 62 HA THR 62 -2.220 -5.042 -11.292 464 HB THR 62 HB THR 62 -4.597 -6.810 -11.458 465 HG1 THR 62 HG1 THR 62 -4.147 -6.959 -13.749 466 1HG2 THR 62 1HG2 THR 62 -4.721 -4.260 -11.538 467 2HG2 THR 62 2HG2 THR 62 -3.719 -4.332 -13.029 468 3HG2 THR 62 3HG2 THR 62 -5.365 -5.055 -13.016 469 H LYS 63 H LYS 63 -0.987 -5.467 -9.265 470 HA LYS 63 HA LYS 63 -2.929 -5.677 -7.114 471 1HB LYS 63 2HB LYS 63 -2.424 -7.986 -7.265 472 2HB LYS 63 1HB LYS 63 -0.704 -7.667 -7.359 473 1HG LYS 63 2HG LYS 63 -1.029 -8.322 -5.132 474 2HG LYS 63 1HG LYS 63 -0.980 -6.572 -5.049 475 1HD LYS 63 2HD LYS 63 -2.872 -6.921 -3.813 476 2HD LYS 63 1HD LYS 63 -3.602 -6.870 -5.405 477 1HE LYS 63 2HE LYS 63 -3.661 -9.264 -5.533 478 2HE LYS 63 1HE LYS 63 -2.703 -9.418 -4.074 479 1HZ LYS 63 1HZ LYS 63 -4.490 -8.418 -2.852 480 2HZ LYS 63 2HZ LYS 63 -5.396 -8.274 -4.231 481 3HZ LYS 63 3HZ LYS 63 -5.019 -9.775 -3.642 482 H VAL 64 H VAL 64 -2.540 -4.276 -5.578 483 HA VAL 64 HA VAL 64 0.176 -3.081 -5.521 484 HB VAL 64 HB VAL 64 -1.222 -1.079 -4.578 485 1HG1 VAL 64 1HG1 VAL 64 0.247 -0.952 -6.520 486 2HG1 VAL 64 2HG1 VAL 64 -1.019 -1.733 -7.529 487 3HG1 VAL 64 3HG1 VAL 64 -1.302 -0.098 -6.838 488 1HG2 VAL 64 1HG2 VAL 64 -3.223 -2.498 -6.357 489 2HG2 VAL 64 2HG2 VAL 64 -3.382 -2.212 -4.589 490 3HG2 VAL 64 3HG2 VAL 64 -3.387 -0.821 -5.728 491 H LEU 65 H LEU 65 1.264 -3.230 -3.724 492 HA LEU 65 HA LEU 65 -0.096 -4.380 -1.403 493 1HB LEU 65 2HB LEU 65 1.810 -5.532 -1.623 494 2HB LEU 65 1HB LEU 65 2.676 -4.180 -2.325 495 HG LEU 65 HG LEU 65 2.611 -3.220 0.051 496 1HD1 LEU 65 1HD1 LEU 65 1.041 -4.797 1.027 497 2HD1 LEU 65 2HD1 LEU 65 2.163 -6.152 0.655 498 3HD1 LEU 65 3HD1 LEU 65 2.634 -4.898 1.855 499 1HD2 LEU 65 1HD2 LEU 65 4.391 -5.565 -0.652 500 2HD2 LEU 65 2HD2 LEU 65 4.660 -3.843 -1.095 501 3HD2 LEU 65 3HD2 LEU 65 4.724 -4.348 0.630 502 H CYS 66 H CYS 66 -0.731 -3.347 0.318 503 HA CYS 66 HA CYS 66 -0.229 -0.456 0.416 504 1HB CYS 66 2HB CYS 66 -2.490 -0.852 0.776 505 2HB CYS 66 1HB CYS 66 -2.182 -2.253 1.782 506 HG CYS 66 HG CYS 66 -3.147 -0.151 3.480 507 H ARG 67 H ARG 67 0.471 0.599 2.333 508 HA ARG 67 HA ARG 67 2.008 -1.129 4.179 509 1HB ARG 67 2HB ARG 67 3.315 0.129 2.190 510 2HB ARG 67 1HB ARG 67 3.318 1.390 3.406 511 1HG ARG 67 2HG ARG 67 4.229 -0.295 5.028 512 2HG ARG 67 1HG ARG 67 4.402 -1.405 3.683 513 1HD ARG 67 2HD ARG 67 6.270 -0.383 2.951 514 2HD ARG 67 1HD ARG 67 5.566 1.210 3.138 515 HE ARG 67 HE ARG 67 6.195 0.061 5.705 516 1HH1 ARG 67 2HH1 ARG 67 7.690 1.653 2.896 517 2HH1 ARG 67 HH22 ARG 67 9.040 2.277 3.816 518 1HH2 ARG 67 1HH1 ARG 67 7.934 0.868 6.875 519 2HH2 ARG 67 2HH1 ARG 67 9.175 1.824 6.095 520 H ASN 68 H ASN 68 1.983 -0.527 6.242 521 HA ASN 68 HA ASN 68 0.713 2.099 6.860 522 1HB ASN 68 2HB ASN 68 0.100 0.792 9.051 523 2HB ASN 68 1HB ASN 68 -0.907 0.635 7.626 524 1HD2 ASN 68 1HD2 ASN 68 1.266 -0.874 9.814 525 2HD2 ASN 68 2HD2 ASN 68 1.190 -2.502 9.178 526 H GLU 69 H GLU 69 1.685 3.365 8.319 527 HA GLU 69 HA GLU 69 4.402 2.956 8.928 528 1HB GLU 69 2HB GLU 69 2.563 5.022 9.250 529 2HB GLU 69 1HB GLU 69 3.168 4.680 10.859 530 1HG GLU 69 2HG GLU 69 4.939 5.123 8.463 531 2HG GLU 69 1HG GLU 69 4.505 6.383 9.600 532 H GLU 70 H GLU 70 1.735 1.427 10.158 533 HA GLU 70 HA GLU 70 2.437 1.144 12.892 534 1HB GLU 70 2HB GLU 70 0.332 0.340 11.350 535 2HB GLU 70 1HB GLU 70 1.125 -1.176 11.725 536 1HG GLU 70 2HG GLU 70 -0.584 -0.578 13.405 537 2HG GLU 70 1HG GLU 70 1.020 -0.682 14.102 538 H GLY 71 H GLY 71 4.069 0.213 10.191 539 1HA GLY 71 2HA GLY 71 6.134 -0.907 10.162 540 2HA GLY 71 1HA GLY 71 5.815 -1.539 11.765 541 H LYS 72 H LYS 72 3.160 -1.857 9.740 542 HA LYS 72 HA LYS 72 3.957 -4.614 9.004 543 1HB LYS 72 2HB LYS 72 2.506 -5.212 10.619 544 2HB LYS 72 1HB LYS 72 1.620 -3.702 10.535 545 1HG LYS 72 2HG LYS 72 0.625 -4.466 8.384 546 2HG LYS 72 1HG LYS 72 1.425 -6.009 8.604 547 1HD LYS 72 2HD LYS 72 0.213 -5.983 10.923 548 2HD LYS 72 1HD LYS 72 -0.847 -4.828 10.142 549 1HE LYS 72 2HE LYS 72 -1.466 -6.412 8.462 550 2HE LYS 72 1HE LYS 72 -0.218 -7.531 8.973 551 1HZ LYS 72 1HZ LYS 72 -1.363 -7.782 11.051 552 2HZ LYS 72 2HZ LYS 72 -2.542 -6.725 10.567 553 3HZ LYS 72 3HZ LYS 72 -2.362 -8.176 9.790 554 H TYR 73 H TYR 73 2.889 -5.520 7.173 555 HA TYR 73 HA TYR 73 2.022 -3.409 5.246 556 1HB TYR 73 2HB TYR 73 3.669 -5.912 4.952 557 2HB TYR 73 1HB TYR 73 3.038 -5.025 3.580 558 HD1 TYR 73 HD1 TYR 73 4.828 -4.133 6.741 559 HD2 TYR 73 HD2 TYR 73 4.627 -3.758 2.495 560 HE1 TYR 73 HE1 TYR 73 6.868 -2.624 6.771 561 HE2 TYR 73 HE2 TYR 73 6.667 -2.250 2.539 562 HH TYR 73 HH TYR 73 8.152 -1.303 3.780 563 H GLY 74 H GLY 74 0.764 -4.307 3.399 564 1HA GLY 74 2HA GLY 74 -0.716 -6.772 3.895 565 2HA GLY 74 1HA GLY 74 -1.666 -5.309 4.063 566 H TYR 75 H TYR 75 -2.174 -7.324 2.178 567 HA TYR 75 HA TYR 75 -1.282 -6.145 -0.401 568 1HB TYR 75 2HB TYR 75 -2.345 -8.763 0.567 569 2HB TYR 75 1HB TYR 75 -2.511 -8.345 -1.127 570 HD1 TYR 75 HD1 TYR 75 -0.696 -10.373 0.794 571 HD2 TYR 75 HD2 TYR 75 -0.041 -7.084 -1.844 572 HE1 TYR 75 HE1 TYR 75 1.667 -11.184 0.359 573 HE2 TYR 75 HE2 TYR 75 2.320 -7.907 -2.273 574 HH TYR 75 HH TYR 75 3.785 -9.421 -1.819 575 H VAL 76 H VAL 76 -2.759 -5.634 -2.022 576 HA VAL 76 HA VAL 76 -5.609 -5.634 -1.304 577 HB VAL 76 HB VAL 76 -4.523 -3.112 -2.386 578 1HG1 VAL 76 1HG1 VAL 76 -6.941 -3.407 -2.264 579 2HG1 VAL 76 2HG1 VAL 76 -6.809 -3.759 -0.506 580 3HG1 VAL 76 3HG1 VAL 76 -6.398 -2.123 -1.129 581 1HG2 VAL 76 1HG2 VAL 76 -4.426 -3.844 0.552 582 2HG2 VAL 76 2HG2 VAL 76 -3.014 -3.547 -0.520 583 3HG2 VAL 76 3HG2 VAL 76 -4.143 -2.204 -0.127 584 H LEU 77 H LEU 77 -6.804 -6.303 -2.903 585 HA LEU 77 HA LEU 77 -5.567 -6.836 -5.451 586 1HB LEU 77 2HB LEU 77 -7.530 -8.021 -4.086 587 2HB LEU 77 1HB LEU 77 -8.471 -7.075 -5.221 588 HG LEU 77 HG LEU 77 -6.694 -9.379 -5.691 589 1HD1 LEU 77 1HD1 LEU 77 -9.090 -9.752 -5.559 590 2HD1 LEU 77 2HD1 LEU 77 -9.357 -8.532 -6.852 591 3HD1 LEU 77 3HD1 LEU 77 -8.494 -10.064 -7.226 592 1HD2 LEU 77 1HD2 LEU 77 -7.231 -7.251 -7.775 593 2HD2 LEU 77 2HD2 LEU 77 -5.637 -7.671 -7.058 594 3HD2 LEU 77 3HD2 LEU 77 -6.500 -8.862 -8.092 595 H ARG 78 H ARG 78 -5.704 -5.822 -7.335 596 HA ARG 78 HA ARG 78 -6.213 -3.066 -7.387 597 1HB ARG 78 2HB ARG 78 -5.711 -3.136 -9.620 598 2HB ARG 78 1HB ARG 78 -5.024 -4.666 -9.111 599 1HG ARG 78 2HG ARG 78 -7.834 -4.410 -10.154 600 2HG ARG 78 1HG ARG 78 -6.465 -4.748 -11.193 601 1HD ARG 78 2HD ARG 78 -6.095 -6.614 -9.262 602 2HD ARG 78 1HD ARG 78 -7.843 -6.502 -9.270 603 HE ARG 78 HE ARG 78 -6.229 -7.773 -11.259 604 1HH1 ARG 78 2HH1 ARG 78 -9.100 -5.693 -10.961 605 2HH1 ARG 78 HH22 ARG 78 -9.811 -6.253 -12.458 606 1HH2 ARG 78 1HH1 ARG 78 -7.153 -8.484 -13.181 607 2HH2 ARG 78 2HH1 ARG 78 -8.690 -7.852 -13.725 608 H SER 79 H SER 79 -8.358 -5.712 -7.471 609 HA SER 79 HA SER 79 -10.512 -4.821 -8.952 610 1HB SER 79 2HB SER 79 -10.557 -6.975 -7.891 611 2HB SER 79 1HB SER 79 -10.554 -6.235 -6.303 612 HG SER 79 HG SER 79 -12.658 -6.901 -6.955 613 H TYR 80 H TYR 80 -10.003 -4.209 -5.491 614 HA TYR 80 HA TYR 80 -11.738 -1.792 -5.751 615 1HB TYR 80 2HB TYR 80 -11.896 -2.198 -3.222 616 2HB TYR 80 1HB TYR 80 -12.733 -3.325 -4.270 617 HD1 TYR 80 HD1 TYR 80 -9.754 -2.862 -2.139 618 HD2 TYR 80 HD2 TYR 80 -12.141 -5.633 -4.338 619 HE1 TYR 80 HE1 TYR 80 -8.517 -4.796 -1.059 620 HE2 TYR 80 HE2 TYR 80 -10.895 -7.557 -3.253 621 HH TYR 80 HH TYR 80 -9.344 -8.114 -1.866 622 H LEU 81 H LEU 81 -9.915 -0.535 -6.461 623 HA LEU 81 HA LEU 81 -8.595 0.751 -4.286 624 1HB LEU 81 2HB LEU 81 -7.317 -1.517 -4.956 625 2HB LEU 81 1HB LEU 81 -6.507 -0.356 -5.987 626 HG LEU 81 HG LEU 81 -6.809 0.215 -3.102 627 1HD1 LEU 81 1HD1 LEU 81 -5.971 -2.065 -3.108 628 2HD1 LEU 81 2HD1 LEU 81 -4.679 -1.592 -4.266 629 3HD1 LEU 81 3HD1 LEU 81 -4.682 -0.920 -2.598 630 1HD2 LEU 81 1HD2 LEU 81 -4.684 0.905 -5.144 631 2HD2 LEU 81 2HD2 LEU 81 -5.978 1.994 -4.534 632 3HD2 LEU 81 3HD2 LEU 81 -4.685 1.424 -3.422 633 H ALA 82 H ALA 82 -6.843 2.300 -5.201 634 HA ALA 82 HA ALA 82 -8.206 3.782 -7.295 635 1HB ALA 82 1HB ALA 82 -7.275 4.955 -5.356 636 2HB ALA 82 2HB ALA 82 -5.636 4.355 -5.786 637 3HB ALA 82 3HB ALA 82 -6.486 5.506 -6.874 638 H ASP 83 H ASP 83 -6.776 4.816 -9.026 639 HA ASP 83 HA ASP 83 -5.977 2.816 -10.831 640 1HB ASP 83 2HB ASP 83 -4.753 5.541 -10.850 641 2HB ASP 83 1HB ASP 83 -5.180 4.523 -12.211 Start of MODEL 13 1 H GLU 7 H1 GLU 7 4.197 -4.511 15.845 2 HA GLU 7 HA GLU 7 4.987 -3.762 13.785 3 1HB GLU 7 2HB GLU 7 6.682 -2.214 14.894 4 2HB GLU 7 1HB GLU 7 7.726 -3.619 14.977 5 1HG GLU 7 2HG GLU 7 6.628 -3.442 12.347 6 2HG GLU 7 1HG GLU 7 7.315 -1.889 12.778 7 H LYS 8 H LYS 8 4.638 -6.109 15.585 8 HA LYS 8 HA LYS 8 6.654 -7.977 14.631 9 1HB LYS 8 2HB LYS 8 5.615 -9.597 16.016 10 2HB LYS 8 1HB LYS 8 5.681 -8.095 16.915 11 1HG LYS 8 2HG LYS 8 3.429 -7.876 16.960 12 2HG LYS 8 1HG LYS 8 3.241 -8.472 15.323 13 1HD LYS 8 2HD LYS 8 4.088 -10.700 16.714 14 2HD LYS 8 1HD LYS 8 3.023 -9.898 17.851 15 1HE LYS 8 2HE LYS 8 1.443 -11.097 16.718 16 2HE LYS 8 1HE LYS 8 1.504 -9.703 15.658 17 1HZ LYS 8 1HZ LYS 8 3.077 -10.868 14.295 18 2HZ LYS 8 2HZ LYS 8 3.020 -12.186 15.297 19 3HZ LYS 8 3HZ LYS 8 1.677 -11.742 14.435 20 H GLU 9 H GLU 9 3.777 -6.653 13.533 21 HA GLU 9 HA GLU 9 2.719 -8.844 12.070 22 1HB GLU 9 2HB GLU 9 1.999 -6.203 12.485 23 2HB GLU 9 1HB GLU 9 2.279 -6.316 10.759 24 1HG GLU 9 2HG GLU 9 -0.038 -6.842 11.218 25 2HG GLU 9 1HG GLU 9 0.783 -8.296 10.688 26 H GLU 10 H GLU 10 5.395 -6.750 11.564 27 HA GLU 10 HA GLU 10 5.668 -7.011 8.763 28 1HB GLU 10 2HB GLU 10 7.041 -5.377 9.575 29 2HB GLU 10 1HB GLU 10 7.507 -6.316 10.979 30 1HG GLU 10 2HG GLU 10 8.325 -7.270 8.276 31 2HG GLU 10 1HG GLU 10 9.200 -5.937 9.001 32 H LYS 11 H LYS 11 6.742 -9.013 11.438 33 HA LYS 11 HA LYS 11 8.276 -10.807 9.843 34 1HB LYS 11 2HB LYS 11 7.100 -11.024 12.582 35 2HB LYS 11 1HB LYS 11 8.004 -12.334 11.849 36 1HG LYS 11 2HG LYS 11 9.573 -10.066 11.437 37 2HG LYS 11 1HG LYS 11 8.976 -9.907 13.077 38 1HD LYS 11 2HD LYS 11 9.695 -12.375 13.341 39 2HD LYS 11 1HD LYS 11 10.645 -12.096 11.896 40 1HE LYS 11 2HE LYS 11 10.841 -10.518 14.461 41 2HE LYS 11 1HE LYS 11 11.989 -11.723 13.912 42 1HZ LYS 11 1HZ LYS 11 12.424 -10.367 11.999 43 2HZ LYS 11 2HZ LYS 11 11.339 -9.229 12.517 44 3HZ LYS 11 3HZ LYS 11 12.718 -9.515 13.388 45 H ASP 12 H ASP 12 4.917 -10.504 10.603 46 HA ASP 12 HA ASP 12 4.175 -13.133 9.637 47 1HB ASP 12 2HB ASP 12 2.721 -12.029 11.199 48 2HB ASP 12 1HB ASP 12 2.582 -10.637 10.144 49 H PHE 13 H PHE 13 4.526 -9.903 8.358 50 HA PHE 13 HA PHE 13 3.143 -10.269 5.893 51 1HB PHE 13 2HB PHE 13 3.654 -8.082 6.615 52 2HB PHE 13 1HB PHE 13 5.340 -8.481 6.878 53 HD1 PHE 13 HD1 PHE 13 6.925 -8.348 5.118 54 HD2 PHE 13 HD2 PHE 13 2.808 -7.767 4.324 55 HE1 PHE 13 HE1 PHE 13 7.488 -7.476 2.838 56 HE2 PHE 13 HE2 PHE 13 3.369 -6.899 2.043 57 HZ PHE 13 HZ PHE 13 5.703 -6.764 1.328 58 H ARG 14 H ARG 14 6.606 -10.376 6.690 59 HA ARG 14 HA ARG 14 7.500 -11.162 4.130 60 1HB ARG 14 2HB ARG 14 9.579 -11.553 5.098 61 2HB ARG 14 1HB ARG 14 8.865 -10.362 6.167 62 1HG ARG 14 2HG ARG 14 7.991 -12.507 7.429 63 2HG ARG 14 1HG ARG 14 9.354 -13.263 6.628 64 1HD ARG 14 2HD ARG 14 9.680 -10.715 8.180 65 2HD ARG 14 1HD ARG 14 9.748 -12.276 8.971 66 HE ARG 14 HE ARG 14 11.799 -11.090 7.309 67 1HH1 ARG 14 2HH1 ARG 14 10.381 -14.200 8.295 68 2HH1 ARG 14 HH22 ARG 14 11.841 -15.107 7.970 69 1HH2 ARG 14 1HH1 ARG 14 13.669 -12.266 6.895 70 2HH2 ARG 14 2HH1 ARG 14 13.722 -13.994 7.168 71 H LYS 15 H LYS 15 6.122 -12.932 6.773 72 HA LYS 15 HA LYS 15 6.952 -15.523 6.124 73 1HB LYS 15 2HB LYS 15 5.897 -15.570 8.111 74 2HB LYS 15 1HB LYS 15 4.717 -14.365 7.635 75 1HG LYS 15 2HG LYS 15 4.535 -16.948 6.229 76 2HG LYS 15 1HG LYS 15 4.139 -16.987 7.935 77 1HD LYS 15 2HD LYS 15 2.926 -14.712 6.624 78 2HD LYS 15 1HD LYS 15 2.454 -16.215 5.858 79 1HE LYS 15 2HE LYS 15 2.250 -15.645 8.813 80 2HE LYS 15 1HE LYS 15 0.913 -15.573 7.682 81 1HZ LYS 15 1HZ LYS 15 1.258 -17.884 7.202 82 2HZ LYS 15 2HZ LYS 15 2.521 -17.953 8.270 83 3HZ LYS 15 3HZ LYS 15 0.986 -17.666 8.820 84 H LYS 16 H LYS 16 3.928 -13.931 5.170 85 HA LYS 16 HA LYS 16 3.546 -15.930 3.080 86 1HB LYS 16 2HB LYS 16 1.731 -14.865 4.585 87 2HB LYS 16 1HB LYS 16 1.786 -13.557 3.419 88 1HG LYS 16 2HG LYS 16 0.063 -15.111 2.755 89 2HG LYS 16 1HG LYS 16 1.387 -15.220 1.611 90 1HD LYS 16 2HD LYS 16 1.820 -17.057 3.773 91 2HD LYS 16 1HD LYS 16 0.228 -17.314 3.087 92 1HE LYS 16 2HE LYS 16 1.419 -17.261 0.805 93 2HE LYS 16 1HE LYS 16 2.896 -17.478 1.722 94 1HZ LYS 16 1HZ LYS 16 1.964 -19.462 2.662 95 2HZ LYS 16 2HZ LYS 16 0.568 -19.257 1.796 96 3HZ LYS 16 3HZ LYS 16 1.992 -19.565 1.010 97 H PHE 17 H PHE 17 4.529 -12.615 3.449 98 HA PHE 17 HA PHE 17 4.631 -12.157 0.553 99 1HB PHE 17 2HB PHE 17 5.366 -10.580 3.006 100 2HB PHE 17 1HB PHE 17 5.621 -9.977 1.380 101 HD1 PHE 17 HD1 PHE 17 2.865 -11.526 3.342 102 HD2 PHE 17 HD2 PHE 17 4.035 -8.533 0.585 103 HE1 PHE 17 HE1 PHE 17 0.520 -10.649 3.299 104 HE2 PHE 17 HE2 PHE 17 1.690 -7.657 0.540 105 HZ PHE 17 HZ PHE 17 -0.039 -8.724 1.900 106 H LYS 18 H LYS 18 6.268 -14.274 1.871 107 HA LYS 18 HA LYS 18 8.883 -13.756 2.302 108 1HB LYS 18 2HB LYS 18 7.425 -15.993 1.479 109 2HB LYS 18 1HB LYS 18 8.811 -15.891 0.413 110 1HG LYS 18 2HG LYS 18 9.204 -15.541 3.350 111 2HG LYS 18 1HG LYS 18 9.004 -17.156 2.700 112 1HD LYS 18 2HD LYS 18 10.935 -16.963 1.349 113 2HD LYS 18 1HD LYS 18 11.008 -15.226 1.568 114 1HE LYS 18 2HE LYS 18 11.224 -16.997 3.960 115 2HE LYS 18 1HE LYS 18 12.621 -16.797 2.921 116 1HZ LYS 18 1HZ LYS 18 12.445 -14.437 3.221 117 2HZ LYS 18 2HZ LYS 18 11.126 -14.626 4.203 118 3HZ LYS 18 3HZ LYS 18 12.604 -15.195 4.685 119 H TYR 19 H TYR 19 7.359 -12.188 0.073 120 HA TYR 19 HA TYR 19 8.928 -12.330 -2.291 121 1HB TYR 19 2HB TYR 19 7.032 -11.114 -2.607 122 2HB TYR 19 1HB TYR 19 7.027 -10.520 -0.959 123 HD1 TYR 19 HD1 TYR 19 9.251 -10.154 -3.945 124 HD2 TYR 19 HD2 TYR 19 7.127 -8.224 -0.786 125 HE1 TYR 19 HE1 TYR 19 10.092 -7.900 -4.748 126 HE2 TYR 19 HE2 TYR 19 7.972 -5.976 -1.600 127 HH TYR 19 HH TYR 19 9.170 -4.953 -3.071 128 H ASP 20 H ASP 20 10.986 -11.863 -2.609 129 HA ASP 20 HA ASP 20 12.356 -10.070 -0.684 130 1HB ASP 20 2HB ASP 20 13.517 -12.117 -0.933 131 2HB ASP 20 1HB ASP 20 13.333 -12.086 -2.675 132 H GLY 21 H GLY 21 11.869 -8.048 -1.362 133 1HA GLY 21 2HA GLY 21 13.090 -7.244 -3.918 134 2HA GLY 21 1HA GLY 21 11.387 -6.896 -3.703 135 H GLU 22 H GLU 22 12.322 -4.687 -4.086 136 HA GLU 22 HA GLU 22 13.436 -3.557 -1.592 137 1HB GLU 22 2HB GLU 22 13.933 -3.042 -4.354 138 2HB GLU 22 1HB GLU 22 13.363 -1.579 -3.577 139 1HG GLU 22 2HG GLU 22 15.475 -3.232 -2.258 140 2HG GLU 22 1HG GLU 22 15.911 -2.134 -3.552 141 H ILE 23 H ILE 23 11.646 -3.448 -0.328 142 HA ILE 23 HA ILE 23 9.185 -2.330 -1.245 143 HB ILE 23 HB ILE 23 10.205 -3.471 1.150 144 1HG1 ILE 23 2HG1 ILE 23 7.343 -2.998 0.419 145 2HG1 ILE 23 1HG1 ILE 23 8.324 -4.241 -0.330 146 1HG2 ILE 23 1HG2 ILE 23 10.163 -1.230 2.084 147 2HG2 ILE 23 2HG2 ILE 23 8.463 -1.026 1.534 148 3HG2 ILE 23 3HG2 ILE 23 8.858 -2.237 2.803 149 1HD1 ILE 23 1HG1 ILE 23 8.762 -5.260 1.879 150 2HD1 ILE 23 2HG1 ILE 23 7.756 -3.984 2.649 151 3HD1 ILE 23 3HG1 ILE 23 7.000 -5.175 1.534 152 H ARG 24 H ARG 24 8.986 -0.385 -2.000 153 HA ARG 24 HA ARG 24 9.805 1.861 -0.316 154 1HB ARG 24 2HB ARG 24 11.633 1.117 -2.150 155 2HB ARG 24 1HB ARG 24 10.646 2.195 -3.116 156 1HG ARG 24 2HG ARG 24 11.396 3.151 -0.419 157 2HG ARG 24 1HG ARG 24 12.684 3.060 -1.603 158 1HD ARG 24 2HD ARG 24 11.979 4.990 -2.488 159 2HD ARG 24 1HD ARG 24 10.454 4.229 -2.893 160 HE ARG 24 HE ARG 24 10.341 4.892 -0.152 161 1HH1 ARG 24 2HH1 ARG 24 10.549 6.579 -3.277 162 2HH1 ARG 24 HH22 ARG 24 9.730 8.011 -2.695 163 1HH2 ARG 24 1HH1 ARG 24 9.292 6.736 0.583 164 2HH2 ARG 24 2HH1 ARG 24 9.012 8.095 -0.482 165 H VAL 25 H VAL 25 8.074 3.053 -0.171 166 HA VAL 25 HA VAL 25 5.923 2.885 -2.035 167 HB VAL 25 HB VAL 25 6.415 5.018 0.000 168 1HG1 VAL 25 1HG1 VAL 25 4.630 5.580 -1.565 169 2HG1 VAL 25 2HG1 VAL 25 3.850 3.992 -1.246 170 3HG1 VAL 25 3HG1 VAL 25 3.958 5.219 0.063 171 1HG2 VAL 25 1HG2 VAL 25 5.068 2.327 0.353 172 2HG2 VAL 25 2HG2 VAL 25 6.636 2.837 1.069 173 3HG2 VAL 25 3HG2 VAL 25 5.111 3.643 1.577 174 H LEU 26 H LEU 26 6.340 3.361 -4.077 175 HA LEU 26 HA LEU 26 7.796 5.838 -4.673 176 1HB LEU 26 2HB LEU 26 8.075 3.492 -5.789 177 2HB LEU 26 1HB LEU 26 6.763 4.070 -6.797 178 HG LEU 26 HG LEU 26 9.571 4.930 -6.664 179 1HD1 LEU 26 1HD1 LEU 26 8.850 3.470 -8.466 180 2HD1 LEU 26 2HD1 LEU 26 7.578 4.655 -8.925 181 3HD1 LEU 26 3HD1 LEU 26 9.315 5.083 -9.109 182 1HD2 LEU 26 1HD2 LEU 26 7.330 6.819 -7.417 183 2HD2 LEU 26 2HD2 LEU 26 8.446 6.984 -6.017 184 3HD2 LEU 26 3HD2 LEU 26 9.082 7.113 -7.694 185 H TYR 27 H TYR 27 4.692 4.294 -5.345 186 HA TYR 27 HA TYR 27 3.547 7.014 -5.800 187 1HB TYR 27 2HB TYR 27 2.198 6.035 -7.541 188 2HB TYR 27 1HB TYR 27 3.875 5.639 -7.857 189 HD1 TYR 27 HD1 TYR 27 4.714 3.326 -7.202 190 HD2 TYR 27 HD2 TYR 27 0.573 4.347 -7.348 191 HE1 TYR 27 HE1 TYR 27 4.104 0.867 -7.314 192 HE2 TYR 27 HE2 TYR 27 -0.023 1.885 -7.460 193 HH TYR 27 HH TYR 27 0.741 -0.129 -7.494 194 H SER 28 H SER 28 2.873 7.073 -3.612 195 HA SER 28 HA SER 28 1.231 4.983 -2.509 196 1HB SER 28 2HB SER 28 0.666 6.824 -0.816 197 2HB SER 28 1HB SER 28 2.318 6.247 -0.891 198 HG SER 28 HG SER 28 2.195 8.544 -0.832 199 H THR 29 H THR 29 -0.665 4.471 -3.275 200 HA THR 29 HA THR 29 -2.326 6.532 -4.531 201 HB THR 29 HB THR 29 -1.865 4.073 -5.360 202 HG1 THR 29 HG1 THR 29 -3.979 4.324 -6.330 203 1HG2 THR 29 1HG2 THR 29 -2.835 2.984 -3.263 204 2HG2 THR 29 2HG2 THR 29 -4.394 3.789 -3.656 205 3HG2 THR 29 3HG2 THR 29 -3.716 2.550 -4.770 206 H LYS 30 H LYS 30 -4.604 6.724 -4.033 207 HA LYS 30 HA LYS 30 -4.973 6.619 -1.107 208 1HB LYS 30 2HB LYS 30 -5.155 8.825 -2.088 209 2HB LYS 30 1HB LYS 30 -6.420 8.260 -3.160 210 1HG LYS 30 2HG LYS 30 -7.030 7.626 -0.409 211 2HG LYS 30 1HG LYS 30 -6.755 9.344 -0.614 212 1HD LYS 30 2HD LYS 30 -8.357 9.265 -2.557 213 2HD LYS 30 1HD LYS 30 -8.745 7.625 -2.078 214 1HE LYS 30 2HE LYS 30 -9.250 8.622 0.236 215 2HE LYS 30 1HE LYS 30 -9.255 10.174 -0.578 216 1HZ LYS 30 1HZ LYS 30 -10.951 9.348 -2.038 217 2HZ LYS 30 2HZ LYS 30 -10.947 7.882 -1.269 218 3HZ LYS 30 3HZ LYS 30 -11.444 9.239 -0.461 219 H VAL 31 H VAL 31 -6.577 5.562 -0.128 220 HA VAL 31 HA VAL 31 -7.750 3.390 -1.594 221 HB VAL 31 HB VAL 31 -8.678 4.202 1.100 222 1HG1 VAL 31 1HG1 VAL 31 -9.697 2.232 0.084 223 2HG1 VAL 31 2HG1 VAL 31 -8.066 1.516 -0.163 224 3HG1 VAL 31 3HG1 VAL 31 -8.694 1.769 1.502 225 1HG2 VAL 31 1HG2 VAL 31 -5.986 2.940 0.515 226 2HG2 VAL 31 2HG2 VAL 31 -6.270 4.578 1.200 227 3HG2 VAL 31 3HG2 VAL 31 -6.726 3.118 2.144 228 H THR 32 H THR 32 -9.347 3.530 -2.943 229 HA THR 32 HA THR 32 -11.110 5.811 -2.952 230 HB THR 32 HB THR 32 -10.722 3.374 -4.636 231 HG1 THR 32 HG1 THR 32 -10.529 5.186 -6.105 232 1HG2 THR 32 1HG2 THR 32 -13.251 3.674 -4.427 233 2HG2 THR 32 2HG2 THR 32 -13.015 5.384 -4.928 234 3HG2 THR 32 3HG2 THR 32 -12.617 4.050 -6.066 235 H THR 33 H THR 33 -13.109 6.067 -2.224 236 HA THR 33 HA THR 33 -14.072 4.674 -0.065 237 HB THR 33 HB THR 33 -14.917 6.870 -0.979 238 HG1 THR 33 HG1 THR 33 -17.047 6.284 -0.209 239 1HG2 THR 33 1HG2 THR 33 -15.421 6.037 -3.340 240 2HG2 THR 33 2HG2 THR 33 -16.694 4.991 -2.619 241 3HG2 THR 33 3HG2 THR 33 -16.840 6.781 -2.524 242 H SER 34 H SER 34 -13.927 3.619 -3.283 243 HA SER 34 HA SER 34 -15.981 1.555 -2.893 244 1HB SER 34 2HB SER 34 -15.067 2.916 -5.125 245 2HB SER 34 1HB SER 34 -14.417 1.298 -5.303 246 HG SER 34 HG SER 34 -16.514 1.508 -6.229 247 H ILE 35 H ILE 35 -13.189 1.870 -1.592 248 HA ILE 35 HA ILE 35 -11.774 -0.480 -2.447 249 HB ILE 35 HB ILE 35 -11.180 1.723 -0.940 250 1HG1 ILE 35 2HG1 ILE 35 -9.848 -0.181 -2.367 251 2HG1 ILE 35 1HG1 ILE 35 -9.116 1.189 -1.555 252 1HG2 ILE 35 1HG2 ILE 35 -12.082 0.720 1.082 253 2HG2 ILE 35 2HG2 ILE 35 -11.043 -0.726 0.835 254 3HG2 ILE 35 3HG2 ILE 35 -10.294 0.868 1.195 255 1HD1 ILE 35 1HG1 ILE 35 -8.768 -0.173 0.479 256 2HD1 ILE 35 2HG1 ILE 35 -9.519 -1.579 -0.354 257 3HD1 ILE 35 3HG1 ILE 35 -7.960 -0.908 -0.950 258 H THR 36 H THR 36 -11.150 -2.144 -0.697 259 HA THR 36 HA THR 36 -13.579 -3.552 -0.092 260 HB THR 36 HB THR 36 -11.665 -4.848 -0.739 261 HG1 THR 36 HG1 THR 36 -11.536 -6.109 1.227 262 1HG2 THR 36 1HG2 THR 36 -9.879 -3.209 0.067 263 2HG2 THR 36 2HG2 THR 36 -10.283 -3.709 1.746 264 3HG2 THR 36 3HG2 THR 36 -9.588 -4.903 0.595 265 H SER 37 H SER 37 -14.877 -3.280 1.532 266 HA SER 37 HA SER 37 -13.728 -2.206 4.053 267 1HB SER 37 2HB SER 37 -16.381 -1.632 4.230 268 2HB SER 37 1HB SER 37 -15.139 -0.502 3.728 269 HG SER 37 HG SER 37 -16.891 -0.597 2.240 270 H LYS 38 H LYS 38 -15.716 -4.555 2.481 271 HA LYS 38 HA LYS 38 -16.343 -5.771 5.102 272 1HB LYS 38 2HB LYS 38 -18.273 -6.616 4.258 273 2HB LYS 38 1HB LYS 38 -18.121 -5.183 3.261 274 1HG LYS 38 2HG LYS 38 -17.136 -6.488 1.468 275 2HG LYS 38 1HG LYS 38 -17.147 -7.925 2.471 276 1HD LYS 38 2HD LYS 38 -19.047 -8.173 1.117 277 2HD LYS 38 1HD LYS 38 -19.688 -7.559 2.628 278 1HE LYS 38 2HE LYS 38 -20.758 -6.185 1.108 279 2HE LYS 38 1HE LYS 38 -19.340 -5.225 1.479 280 1HZ LYS 38 1HZ LYS 38 -18.289 -6.113 -0.469 281 2HZ LYS 38 2HZ LYS 38 -19.629 -7.020 -0.820 282 3HZ LYS 38 3HZ LYS 38 -19.712 -5.367 -0.871 283 H LYS 39 H LYS 39 -15.171 -6.506 1.855 284 HA LYS 39 HA LYS 39 -14.376 -9.170 2.518 285 1HB LYS 39 2HB LYS 39 -14.602 -7.696 0.195 286 2HB LYS 39 1HB LYS 39 -12.888 -8.034 0.328 287 1HG LYS 39 2HG LYS 39 -13.685 -9.900 -0.815 288 2HG LYS 39 1HG LYS 39 -13.649 -10.458 0.845 289 1HD LYS 39 2HD LYS 39 -15.762 -11.136 0.217 290 2HD LYS 39 1HD LYS 39 -16.115 -9.552 0.876 291 1HE LYS 39 2HE LYS 39 -17.246 -9.878 -1.274 292 2HE LYS 39 1HE LYS 39 -16.058 -8.594 -1.380 293 1HZ LYS 39 1HZ LYS 39 -14.534 -10.150 -2.353 294 2HZ LYS 39 2HZ LYS 39 -15.656 -11.363 -2.253 295 3HZ LYS 39 3HZ LYS 39 -15.924 -10.068 -3.249 296 H TRP 40 H TRP 40 -12.755 -9.902 3.626 297 HA TRP 40 HA TRP 40 -10.283 -8.326 3.766 298 1HB TRP 40 2HB TRP 40 -11.873 -9.089 6.188 299 2HB TRP 40 1HB TRP 40 -10.195 -8.587 6.237 300 HD1 TRP 40 HD1 TRP 40 -13.097 -7.045 7.286 301 HE1 TRP 40 HE1 TRP 40 -9.502 -6.799 3.715 302 HE3 TRP 40 HE3 TRP 40 -13.263 -4.502 6.830 303 HZ2 TRP 40 HZ2 TRP 40 -9.018 -4.576 2.705 304 HZ3 TRP 40 HZ3 TRP 40 -11.979 -2.633 5.122 305 HH2 TRP 40 HH2 TRP 40 -10.192 -2.539 3.354 306 H GLY 41 H GLY 41 -8.576 -9.562 3.564 307 1HA GLY 41 2HA GLY 41 -8.958 -12.485 3.997 308 2HA GLY 41 1HA GLY 41 -7.973 -11.814 2.712 309 H THR 42 H THR 42 -7.064 -13.699 4.573 310 HA THR 42 HA THR 42 -5.717 -12.624 6.788 311 HB THR 42 HB THR 42 -4.280 -14.710 6.521 312 HG1 THR 42 HG1 THR 42 -4.987 -15.970 4.680 313 1HG2 THR 42 1HG2 THR 42 -6.575 -14.845 7.633 314 2HG2 THR 42 2HG2 THR 42 -7.265 -15.154 6.002 315 3HG2 THR 42 3HG2 THR 42 -6.125 -16.335 6.735 316 H ARG 43 H ARG 43 -4.860 -12.737 3.402 317 HA ARG 43 HA ARG 43 -2.267 -11.454 3.977 318 1HB ARG 43 2HB ARG 43 -3.357 -13.030 1.773 319 2HB ARG 43 1HB ARG 43 -2.429 -11.635 1.258 320 1HG ARG 43 2HG ARG 43 -0.644 -12.436 2.915 321 2HG ARG 43 1HG ARG 43 -1.529 -13.948 2.948 322 1HD ARG 43 2HD ARG 43 -0.882 -12.840 0.278 323 2HD ARG 43 1HD ARG 43 0.453 -13.487 1.210 324 HE ARG 43 HE ARG 43 -1.833 -15.275 1.173 325 1HH1 ARG 43 2HH1 ARG 43 1.043 -14.258 -0.658 326 2HH1 ARG 43 HH22 ARG 43 1.171 -15.769 -1.530 327 1HH2 ARG 43 1HH1 ARG 43 -1.658 -17.210 0.047 328 2HH2 ARG 43 2HH1 ARG 43 -0.380 -17.457 -1.121 329 H ASP 44 H ASP 44 -5.273 -10.437 3.853 330 HA ASP 44 HA ASP 44 -4.732 -8.064 2.151 331 1HB ASP 44 2HB ASP 44 -7.006 -9.656 2.485 332 2HB ASP 44 1HB ASP 44 -7.355 -8.153 3.316 333 H LEU 45 H LEU 45 -5.477 -5.982 2.973 334 HA LEU 45 HA LEU 45 -4.814 -5.768 5.837 335 1HB LEU 45 2HB LEU 45 -3.741 -4.447 3.816 336 2HB LEU 45 1HB LEU 45 -5.070 -3.362 4.173 337 HG LEU 45 HG LEU 45 -4.232 -3.338 6.537 338 1HD1 LEU 45 1HD1 LEU 45 -2.840 -5.330 6.487 339 2HD1 LEU 45 2HD1 LEU 45 -1.781 -4.565 5.251 340 3HD1 LEU 45 3HD1 LEU 45 -1.859 -3.885 6.914 341 1HD2 LEU 45 1HD2 LEU 45 -2.475 -2.166 4.369 342 2HD2 LEU 45 2HD2 LEU 45 -3.967 -1.432 5.053 343 3HD2 LEU 45 3HD2 LEU 45 -2.509 -1.635 6.086 344 H GLN 46 H GLN 46 -6.023 -4.480 7.256 345 HA GLN 46 HA GLN 46 -8.885 -4.673 6.664 346 1HB GLN 46 2HB GLN 46 -8.271 -5.517 8.796 347 2HB GLN 46 1HB GLN 46 -7.384 -4.057 9.185 348 1HG GLN 46 2HG GLN 46 -9.286 -2.857 9.641 349 2HG GLN 46 1HG GLN 46 -10.265 -3.782 8.521 350 1HE2 GLN 46 1HE2 GLN 46 -10.484 -6.150 9.094 351 2HE2 GLN 46 2HE2 GLN 46 -10.859 -6.521 10.761 352 H VAL 47 H VAL 47 -7.269 -2.762 5.244 353 HA VAL 47 HA VAL 47 -7.658 -0.154 6.313 354 HB VAL 47 HB VAL 47 -7.100 0.638 4.119 355 1HG1 VAL 47 1HG1 VAL 47 -5.262 -0.148 5.516 356 2HG1 VAL 47 2HG1 VAL 47 -5.480 -1.811 4.869 357 3HG1 VAL 47 3HG1 VAL 47 -4.932 -0.488 3.782 358 1HG2 VAL 47 1HG2 VAL 47 -7.445 -2.228 3.201 359 2HG2 VAL 47 2HG2 VAL 47 -8.497 -0.836 2.770 360 3HG2 VAL 47 3HG2 VAL 47 -6.791 -0.882 2.204 361 H LYS 48 H LYS 48 -9.059 1.517 5.448 362 HA LYS 48 HA LYS 48 -11.721 0.374 4.830 363 1HB LYS 48 2HB LYS 48 -10.884 2.261 6.837 364 2HB LYS 48 1HB LYS 48 -12.158 2.916 5.828 365 1HG LYS 48 2HG LYS 48 -13.313 1.808 7.543 366 2HG LYS 48 1HG LYS 48 -13.348 0.670 6.211 367 1HD LYS 48 2HD LYS 48 -12.771 -0.553 8.188 368 2HD LYS 48 1HD LYS 48 -11.327 -0.430 7.203 369 1HE LYS 48 2HE LYS 48 -10.267 0.458 8.960 370 2HE LYS 48 1HE LYS 48 -11.333 1.844 8.852 371 1HZ LYS 48 1HZ LYS 48 -12.881 0.702 10.264 372 2HZ LYS 48 2HZ LYS 48 -11.873 -0.608 10.366 373 3HZ LYS 48 3HZ LYS 48 -11.412 0.844 11.015 374 HA PRO 49 HA PRO 49 -11.710 2.552 1.121 375 1HB PRO 49 2HB PRO 49 -14.415 2.910 0.722 376 2HB PRO 49 1HB PRO 49 -13.535 1.434 0.380 377 1HG PRO 49 2HG PRO 49 -15.387 2.016 2.570 378 2HG PRO 49 1HG PRO 49 -14.839 0.464 1.968 379 1HD PRO 49 2HD PRO 49 -13.977 1.793 4.327 380 2HD PRO 49 1HD PRO 49 -13.347 0.299 3.664 381 H GLY 50 H GLY 50 -11.213 4.555 0.626 382 1HA GLY 50 2HA GLY 50 -11.736 6.881 0.424 383 2HA GLY 50 1HA GLY 50 -12.782 6.761 1.824 384 H GLU 51 H GLU 51 -9.912 5.061 2.226 385 HA GLU 51 HA GLU 51 -8.827 7.265 3.880 386 1HB GLU 51 2HB GLU 51 -9.475 5.081 4.983 387 2HB GLU 51 1HB GLU 51 -8.110 4.369 4.147 388 1HG GLU 51 2HG GLU 51 -7.730 5.219 6.543 389 2HG GLU 51 1HG GLU 51 -6.557 5.674 5.324 390 H SER 52 H SER 52 -6.401 7.119 4.200 391 HA SER 52 HA SER 52 -5.209 6.918 1.497 392 1HB SER 52 2HB SER 52 -3.510 8.175 3.437 393 2HB SER 52 1HB SER 52 -4.136 8.813 1.930 394 HG SER 52 HG SER 52 -4.830 10.033 3.753 395 H LEU 53 H LEU 53 -3.700 5.503 1.017 396 HA LEU 53 HA LEU 53 -2.221 4.221 3.209 397 1HB LEU 53 2HB LEU 53 -3.000 2.164 2.958 398 2HB LEU 53 1HB LEU 53 -4.394 2.975 2.272 399 HG LEU 53 HG LEU 53 -3.496 2.600 0.046 400 1HD1 LEU 53 1HD1 LEU 53 -1.117 2.560 0.535 401 2HD1 LEU 53 2HD1 LEU 53 -1.326 1.028 1.453 402 3HD1 LEU 53 3HD1 LEU 53 -1.610 1.059 -0.322 403 1HD2 LEU 53 1HD2 LEU 53 -3.790 0.087 1.707 404 2HD2 LEU 53 2HD2 LEU 53 -5.118 1.032 0.947 405 3HD2 LEU 53 3HD2 LEU 53 -3.919 0.177 -0.084 406 H GLU 54 H GLU 54 -0.217 3.455 2.690 407 HA GLU 54 HA GLU 54 0.937 4.729 0.356 408 1HB GLU 54 2HB GLU 54 1.934 3.516 2.805 409 2HB GLU 54 1HB GLU 54 2.932 3.190 1.403 410 1HG GLU 54 2HG GLU 54 3.047 5.594 0.924 411 2HG GLU 54 1HG GLU 54 2.045 5.922 2.323 412 H VAL 55 H VAL 55 1.442 3.908 -1.536 413 HA VAL 55 HA VAL 55 0.828 1.046 -1.936 414 HB VAL 55 HB VAL 55 0.742 3.440 -3.662 415 1HG1 VAL 55 1HG1 VAL 55 2.233 1.971 -4.914 416 2HG1 VAL 55 2HG1 VAL 55 1.059 0.623 -4.731 417 3HG1 VAL 55 3HG1 VAL 55 0.622 2.069 -5.706 418 1HG2 VAL 55 1HG2 VAL 55 -1.092 1.054 -3.315 419 2HG2 VAL 55 2HG2 VAL 55 -1.309 2.682 -2.584 420 3HG2 VAL 55 3HG2 VAL 55 -1.414 2.477 -4.367 421 H ILE 56 H ILE 56 2.338 -0.391 -2.234 422 HA ILE 56 HA ILE 56 5.096 0.581 -2.510 423 HB ILE 56 HB ILE 56 4.171 -2.199 -1.966 424 1HG1 ILE 56 2HG1 ILE 56 4.572 0.097 -0.132 425 2HG1 ILE 56 1HG1 ILE 56 3.317 -1.125 -0.134 426 1HG2 ILE 56 1HG2 ILE 56 6.444 -2.101 -2.818 427 2HG2 ILE 56 2HG2 ILE 56 6.862 -0.870 -1.576 428 3HG2 ILE 56 3HG2 ILE 56 6.442 -2.545 -1.076 429 1HD1 ILE 56 1HG1 ILE 56 4.944 -2.828 0.620 430 2HD1 ILE 56 2HG1 ILE 56 6.231 -1.573 0.622 431 3HD1 ILE 56 3HG1 ILE 56 4.854 -1.450 1.771 432 H GLN 57 H GLN 57 5.545 -2.313 -3.554 433 HA GLN 57 HA GLN 57 5.414 -1.482 -6.372 434 1HB GLN 57 2HB GLN 57 6.947 -3.598 -4.926 435 2HB GLN 57 1HB GLN 57 6.798 -3.618 -6.672 436 1HG GLN 57 2HG GLN 57 7.792 -1.228 -5.137 437 2HG GLN 57 1HG GLN 57 8.857 -2.462 -5.779 438 1HE2 GLN 57 1HE2 GLN 57 6.886 0.270 -6.413 439 2HE2 GLN 57 2HE2 GLN 57 7.218 0.447 -8.121 440 H THR 58 H THR 58 4.636 -2.827 -8.027 441 HA THR 58 HA THR 58 2.119 -4.006 -7.388 442 HB THR 58 HB THR 58 2.380 -4.731 -9.906 443 HG1 THR 58 HG1 THR 58 4.135 -3.463 -10.792 444 1HG2 THR 58 1HG2 THR 58 1.111 -2.647 -9.149 445 2HG2 THR 58 2HG2 THR 58 2.684 -1.776 -9.164 446 3HG2 THR 58 3HG2 THR 58 2.000 -2.423 -10.696 447 H THR 59 H THR 59 1.667 -5.880 -6.560 448 HA THR 59 HA THR 59 3.566 -7.835 -5.940 449 HB THR 59 HB THR 59 0.581 -7.755 -6.059 450 HG1 THR 59 HG1 THR 59 1.106 -8.131 -3.809 451 1HG2 THR 59 1HG2 THR 59 1.241 -10.132 -6.723 452 2HG2 THR 59 2HG2 THR 59 2.263 -10.182 -5.245 453 3HG2 THR 59 3HG2 THR 59 0.478 -10.027 -5.099 454 H ASP 60 H ASP 60 0.951 -8.434 -8.245 455 HA ASP 60 HA ASP 60 2.840 -10.102 -9.819 456 1HB ASP 60 2HB ASP 60 0.985 -11.408 -9.229 457 2HB ASP 60 1HB ASP 60 -0.135 -10.092 -9.517 458 H ASP 61 H ASP 61 -0.203 -8.882 -10.967 459 HA ASP 61 HA ASP 61 1.256 -7.174 -12.928 460 1HB ASP 61 2HB ASP 61 -1.282 -8.751 -13.241 461 2HB ASP 61 1HB ASP 61 -0.726 -7.559 -14.398 462 H THR 62 H THR 62 -1.956 -7.691 -11.490 463 HA THR 62 HA THR 62 -2.208 -4.740 -11.264 464 HB THR 62 HB THR 62 -4.654 -6.429 -11.460 465 HG1 THR 62 HG1 THR 62 -4.229 -6.452 -13.761 466 1HG2 THR 62 1HG2 THR 62 -4.729 -3.877 -11.389 467 2HG2 THR 62 2HG2 THR 62 -3.744 -3.880 -12.893 468 3HG2 THR 62 3HG2 THR 62 -5.403 -4.572 -12.904 469 H LYS 63 H LYS 63 -0.981 -5.271 -9.250 470 HA LYS 63 HA LYS 63 -2.905 -5.347 -7.083 471 1HB LYS 63 2HB LYS 63 -2.621 -7.700 -7.306 472 2HB LYS 63 1HB LYS 63 -0.877 -7.537 -7.347 473 1HG LYS 63 2HG LYS 63 -0.804 -6.858 -5.061 474 2HG LYS 63 1HG LYS 63 -2.545 -6.676 -4.995 475 1HD LYS 63 2HD LYS 63 -2.630 -9.185 -5.556 476 2HD LYS 63 1HD LYS 63 -0.936 -9.205 -5.110 477 1HE LYS 63 2HE LYS 63 -1.921 -9.723 -3.085 478 2HE LYS 63 1HE LYS 63 -1.805 -7.980 -2.955 479 1HZ LYS 63 1HZ LYS 63 -4.063 -7.822 -3.710 480 2HZ LYS 63 2HZ LYS 63 -4.172 -9.469 -3.834 481 3HZ LYS 63 3HZ LYS 63 -3.974 -8.762 -2.350 482 H VAL 64 H VAL 64 -2.360 -4.020 -5.528 483 HA VAL 64 HA VAL 64 0.465 -3.112 -5.482 484 HB VAL 64 HB VAL 64 -0.358 -0.920 -4.805 485 1HG1 VAL 64 1HG1 VAL 64 0.143 -1.321 -7.158 486 2HG1 VAL 64 2HG1 VAL 64 -1.531 -1.925 -7.412 487 3HG1 VAL 64 3HG1 VAL 64 -1.253 -0.201 -6.986 488 1HG2 VAL 64 1HG2 VAL 64 -3.107 -2.077 -5.337 489 2HG2 VAL 64 2HG2 VAL 64 -2.453 -1.572 -3.740 490 3HG2 VAL 64 3HG2 VAL 64 -2.744 -0.345 -5.021 491 H LEU 65 H LEU 65 1.538 -3.230 -3.652 492 HA LEU 65 HA LEU 65 0.135 -4.403 -1.375 493 1HB LEU 65 2HB LEU 65 2.030 -5.550 -1.463 494 2HB LEU 65 1HB LEU 65 2.883 -4.272 -2.305 495 HG LEU 65 HG LEU 65 3.114 -3.107 -0.135 496 1HD1 LEU 65 1HD1 LEU 65 1.274 -4.123 1.084 497 2HD1 LEU 65 2HD1 LEU 65 2.093 -5.721 0.999 498 3HD1 LEU 65 3HD1 LEU 65 2.826 -4.384 1.952 499 1HD2 LEU 65 1HD2 LEU 65 4.373 -5.851 -0.344 500 2HD2 LEU 65 2HD2 LEU 65 4.977 -4.334 -1.097 501 3HD2 LEU 65 3HD2 LEU 65 4.965 -4.507 0.693 502 H CYS 66 H CYS 66 -0.570 -3.388 0.326 503 HA CYS 66 HA CYS 66 -0.059 -0.505 0.495 504 1HB CYS 66 2HB CYS 66 -2.326 -0.896 0.792 505 2HB CYS 66 1HB CYS 66 -2.051 -2.324 1.770 506 HG CYS 66 HG CYS 66 -3.052 -0.261 3.495 507 H ARG 67 H ARG 67 0.585 0.514 2.455 508 HA ARG 67 HA ARG 67 2.073 -1.247 4.309 509 1HB ARG 67 2HB ARG 67 3.442 0.023 2.380 510 2HB ARG 67 1HB ARG 67 3.402 1.284 3.596 511 1HG ARG 67 2HG ARG 67 4.243 -0.440 5.244 512 2HG ARG 67 1HG ARG 67 4.513 -1.499 3.875 513 1HD ARG 67 2HD ARG 67 5.828 1.149 4.439 514 2HD ARG 67 1HD ARG 67 6.594 -0.422 4.306 515 HE ARG 67 HE ARG 67 5.199 0.265 1.875 516 1HH1 ARG 67 2HH1 ARG 67 8.199 0.892 3.682 517 2HH1 ARG 67 HH22 ARG 67 9.116 1.305 2.251 518 1HH2 ARG 67 1HH1 ARG 67 6.390 0.798 0.045 519 2HH2 ARG 67 2HH1 ARG 67 8.076 1.250 0.172 520 H ASN 68 H ASN 68 2.296 -0.509 6.381 521 HA ASN 68 HA ASN 68 0.703 1.931 7.007 522 1HB ASN 68 2HB ASN 68 1.022 -0.654 8.508 523 2HB ASN 68 1HB ASN 68 0.437 0.806 9.279 524 1HD2 ASN 68 1HD2 ASN 68 -1.641 1.049 9.388 525 2HD2 ASN 68 2HD2 ASN 68 -2.833 0.385 8.293 526 H GLU 69 H GLU 69 1.628 3.483 8.174 527 HA GLU 69 HA GLU 69 4.408 3.605 8.469 528 1HB GLU 69 2HB GLU 69 2.766 5.524 8.536 529 2HB GLU 69 1HB GLU 69 2.499 5.113 10.218 530 1HG GLU 69 2HG GLU 69 4.164 6.704 10.409 531 2HG GLU 69 1HG GLU 69 5.111 5.231 10.358 532 H GLU 70 H GLU 70 2.108 1.922 10.288 533 HA GLU 70 HA GLU 70 3.651 1.848 12.743 534 1HB GLU 70 2HB GLU 70 1.061 1.486 12.318 535 2HB GLU 70 1HB GLU 70 1.574 -0.186 12.212 536 1HG GLU 70 2HG GLU 70 1.363 -0.171 14.459 537 2HG GLU 70 1HG GLU 70 2.913 0.646 14.433 538 H GLY 71 H GLY 71 4.078 0.548 9.772 539 1HA GLY 71 2HA GLY 71 5.827 -0.909 9.175 540 2HA GLY 71 1HA GLY 71 5.936 -1.461 10.834 541 H LYS 72 H LYS 72 2.843 -1.244 9.331 542 HA LYS 72 HA LYS 72 2.779 -4.200 9.154 543 1HB LYS 72 2HB LYS 72 1.287 -2.849 10.825 544 2HB LYS 72 1HB LYS 72 0.281 -2.629 9.408 545 1HG LYS 72 2HG LYS 72 0.996 -5.341 9.422 546 2HG LYS 72 1HG LYS 72 0.572 -4.951 11.077 547 1HD LYS 72 2HD LYS 72 -1.264 -3.851 9.074 548 2HD LYS 72 1HD LYS 72 -1.224 -5.602 9.127 549 1HE LYS 72 2HE LYS 72 -2.935 -4.620 10.642 550 2HE LYS 72 1HE LYS 72 -1.748 -5.591 11.489 551 1HZ LYS 72 1HZ LYS 72 -0.592 -3.586 12.068 552 2HZ LYS 72 2HZ LYS 72 -1.715 -2.668 11.268 553 3HZ LYS 72 3HZ LYS 72 -2.155 -3.529 12.613 554 H TYR 73 H TYR 73 2.635 -5.087 7.264 555 HA TYR 73 HA TYR 73 1.898 -3.365 4.955 556 1HB TYR 73 2HB TYR 73 3.390 -5.960 5.287 557 2HB TYR 73 1HB TYR 73 3.011 -5.265 3.724 558 HD1 TYR 73 HD1 TYR 73 4.684 -4.370 6.938 559 HD2 TYR 73 HD2 TYR 73 4.575 -3.895 2.698 560 HE1 TYR 73 HE1 TYR 73 6.809 -2.988 7.031 561 HE2 TYR 73 HE2 TYR 73 6.699 -2.514 2.805 562 HH TYR 73 HH TYR 73 8.219 -1.685 4.089 563 H GLY 74 H GLY 74 0.565 -4.198 3.292 564 1HA GLY 74 2HA GLY 74 -0.953 -6.644 3.786 565 2HA GLY 74 1HA GLY 74 -1.881 -5.164 3.920 566 H TYR 75 H TYR 75 -2.414 -7.176 2.053 567 HA TYR 75 HA TYR 75 -1.437 -6.072 -0.527 568 1HB TYR 75 2HB TYR 75 -2.585 -8.628 0.486 569 2HB TYR 75 1HB TYR 75 -2.795 -8.235 -1.208 570 HD1 TYR 75 HD1 TYR 75 -0.189 -6.900 -1.762 571 HD2 TYR 75 HD2 TYR 75 -1.104 -10.455 0.416 572 HE1 TYR 75 HE1 TYR 75 2.127 -7.807 -2.255 573 HE2 TYR 75 HE2 TYR 75 1.216 -11.350 -0.084 574 HH TYR 75 HH TYR 75 3.099 -10.964 -1.057 575 H VAL 76 H VAL 76 -2.845 -5.467 -2.157 576 HA VAL 76 HA VAL 76 -5.708 -5.328 -1.482 577 HB VAL 76 HB VAL 76 -4.399 -2.913 -2.596 578 1HG1 VAL 76 1HG1 VAL 76 -6.833 -3.036 -2.698 579 2HG1 VAL 76 2HG1 VAL 76 -6.892 -3.337 -0.927 580 3HG1 VAL 76 3HG1 VAL 76 -6.308 -1.755 -1.551 581 1HG2 VAL 76 1HG2 VAL 76 -4.629 -3.550 0.357 582 2HG2 VAL 76 2HG2 VAL 76 -3.106 -3.387 -0.584 583 3HG2 VAL 76 3HG2 VAL 76 -4.167 -1.957 -0.337 584 H LEU 77 H LEU 77 -6.908 -6.030 -3.060 585 HA LEU 77 HA LEU 77 -5.665 -6.608 -5.612 586 1HB LEU 77 2HB LEU 77 -7.556 -7.848 -4.195 587 2HB LEU 77 1HB LEU 77 -8.552 -6.956 -5.327 588 HG LEU 77 HG LEU 77 -6.632 -9.151 -5.827 589 1HD1 LEU 77 1HD1 LEU 77 -8.966 -9.746 -5.506 590 2HD1 LEU 77 2HD1 LEU 77 -9.443 -8.594 -6.801 591 3HD1 LEU 77 3HD1 LEU 77 -8.466 -10.047 -7.207 592 1HD2 LEU 77 1HD2 LEU 77 -7.523 -7.144 -7.910 593 2HD2 LEU 77 2HD2 LEU 77 -5.848 -7.392 -7.307 594 3HD2 LEU 77 3HD2 LEU 77 -6.666 -8.688 -8.247 595 H ARG 78 H ARG 78 -6.028 -5.725 -7.568 596 HA ARG 78 HA ARG 78 -6.540 -2.964 -7.671 597 1HB ARG 78 2HB ARG 78 -6.219 -3.109 -9.939 598 2HB ARG 78 1HB ARG 78 -5.456 -4.597 -9.418 599 1HG ARG 78 2HG ARG 78 -8.360 -4.684 -10.022 600 2HG ARG 78 1HG ARG 78 -7.255 -4.555 -11.376 601 1HD ARG 78 2HD ARG 78 -6.579 -6.694 -11.160 602 2HD ARG 78 1HD ARG 78 -6.428 -6.555 -9.419 603 HE ARG 78 HE ARG 78 -8.663 -7.281 -9.152 604 1HH1 ARG 78 2HH1 ARG 78 -7.820 -6.907 -12.588 605 2HH1 ARG 78 HH22 ARG 78 -9.231 -7.773 -13.153 606 1HH2 ARG 78 1HH1 ARG 78 -10.471 -8.392 -9.892 607 2HH2 ARG 78 2HH1 ARG 78 -10.745 -8.621 -11.604 608 H SER 79 H SER 79 -8.663 -5.629 -7.528 609 HA SER 79 HA SER 79 -10.927 -4.739 -8.868 610 1HB SER 79 2HB SER 79 -10.557 -6.916 -7.562 611 2HB SER 79 1HB SER 79 -11.141 -6.017 -6.176 612 HG SER 79 HG SER 79 -12.827 -7.150 -7.259 613 H TYR 80 H TYR 80 -10.232 -4.245 -5.419 614 HA TYR 80 HA TYR 80 -11.941 -1.797 -5.518 615 1HB TYR 80 2HB TYR 80 -12.098 -2.306 -3.029 616 2HB TYR 80 1HB TYR 80 -12.914 -3.425 -4.101 617 HD1 TYR 80 HD1 TYR 80 -12.272 -5.720 -4.229 618 HD2 TYR 80 HD2 TYR 80 -9.946 -2.953 -1.959 619 HE1 TYR 80 HE1 TYR 80 -10.987 -7.642 -3.188 620 HE2 TYR 80 HE2 TYR 80 -8.668 -4.886 -0.929 621 HH TYR 80 HH TYR 80 -8.436 -7.026 -0.853 622 H LEU 81 H LEU 81 -10.099 -0.553 -6.215 623 HA LEU 81 HA LEU 81 -8.703 0.595 -4.006 624 1HB LEU 81 2HB LEU 81 -6.994 -0.783 -3.876 625 2HB LEU 81 1HB LEU 81 -7.402 -1.563 -5.391 626 HG LEU 81 HG LEU 81 -6.345 0.623 -6.379 627 1HD1 LEU 81 1HD1 LEU 81 -5.939 1.733 -4.256 628 2HD1 LEU 81 2HD1 LEU 81 -4.931 0.345 -3.718 629 3HD1 LEU 81 3HD1 LEU 81 -4.386 1.374 -5.088 630 1HD2 LEU 81 1HD2 LEU 81 -4.736 -1.728 -5.356 631 2HD2 LEU 81 2HD2 LEU 81 -5.623 -1.634 -6.917 632 3HD2 LEU 81 3HD2 LEU 81 -4.203 -0.570 -6.624 633 H ALA 82 H ALA 82 -6.950 2.162 -4.881 634 HA ALA 82 HA ALA 82 -8.337 3.780 -6.855 635 1HB ALA 82 1HB ALA 82 -7.335 4.828 -4.880 636 2HB ALA 82 2HB ALA 82 -5.719 4.225 -5.385 637 3HB ALA 82 3HB ALA 82 -6.575 5.449 -6.386 638 H ASP 83 H ASP 83 -6.894 4.898 -8.544 639 HA ASP 83 HA ASP 83 -6.192 2.985 -10.487 640 1HB ASP 83 2HB ASP 83 -5.838 5.879 -10.145 641 2HB ASP 83 1HB ASP 83 -4.681 5.108 -11.212 Start of MODEL 14 1 H GLU 7 H1 GLU 7 8.880 -4.700 15.767 2 HA GLU 7 HA GLU 7 9.035 -4.326 13.471 3 1HB GLU 7 2HB GLU 7 11.008 -4.997 12.227 4 2HB GLU 7 1HB GLU 7 11.409 -3.756 13.397 5 1HG GLU 7 2HG GLU 7 11.686 -6.338 14.609 6 2HG GLU 7 1HG GLU 7 12.596 -6.294 13.112 7 H LYS 8 H LYS 8 8.438 -6.317 15.637 8 HA LYS 8 HA LYS 8 8.797 -8.882 14.352 9 1HB LYS 8 2HB LYS 8 7.185 -8.082 16.751 10 2HB LYS 8 1HB LYS 8 7.395 -9.733 16.200 11 1HG LYS 8 2HG LYS 8 9.943 -8.402 16.403 12 2HG LYS 8 1HG LYS 8 9.076 -8.307 17.923 13 1HD LYS 8 2HD LYS 8 8.994 -10.624 18.167 14 2HD LYS 8 1HD LYS 8 9.260 -10.910 16.459 15 1HE LYS 8 2HE LYS 8 11.446 -9.482 17.795 16 2HE LYS 8 1HE LYS 8 11.188 -11.113 18.380 17 1HZ LYS 8 1HZ LYS 8 11.331 -11.892 16.130 18 2HZ LYS 8 2HZ LYS 8 11.575 -10.351 15.577 19 3HZ LYS 8 3HZ LYS 8 12.708 -11.072 16.546 20 H GLU 9 H GLU 9 6.428 -6.373 14.427 21 HA GLU 9 HA GLU 9 4.240 -7.873 13.404 22 1HB GLU 9 2HB GLU 9 4.511 -5.351 14.324 23 2HB GLU 9 1HB GLU 9 4.389 -5.060 12.600 24 1HG GLU 9 2HG GLU 9 2.161 -5.105 13.039 25 2HG GLU 9 1HG GLU 9 2.392 -6.837 12.901 26 H GLU 10 H GLU 10 6.962 -6.273 11.928 27 HA GLU 10 HA GLU 10 5.993 -6.446 9.241 28 1HB GLU 10 2HB GLU 10 7.691 -4.868 9.606 29 2HB GLU 10 1HB GLU 10 8.722 -6.041 10.400 30 1HG GLU 10 2HG GLU 10 8.972 -7.250 8.270 31 2HG GLU 10 1HG GLU 10 7.963 -6.055 7.481 32 H LYS 11 H LYS 11 7.648 -8.607 11.387 33 HA LYS 11 HA LYS 11 8.610 -10.445 9.474 34 1HB LYS 11 2HB LYS 11 8.298 -10.357 12.337 35 2HB LYS 11 1HB LYS 11 8.008 -11.962 11.698 36 1HG LYS 11 2HG LYS 11 10.288 -12.057 11.951 37 2HG LYS 11 1HG LYS 11 10.201 -11.430 10.317 38 1HD LYS 11 2HD LYS 11 10.114 -9.352 12.370 39 2HD LYS 11 1HD LYS 11 11.601 -10.280 12.375 40 1HE LYS 11 2HE LYS 11 11.247 -9.827 9.707 41 2HE LYS 11 1HE LYS 11 10.604 -8.353 10.402 42 1HZ LYS 11 1HZ LYS 11 12.643 -8.093 11.614 43 2HZ LYS 11 2HZ LYS 11 13.251 -9.486 10.956 44 3HZ LYS 11 3HZ LYS 11 12.945 -8.178 9.988 45 H ASP 12 H ASP 12 5.474 -9.916 10.863 46 HA ASP 12 HA ASP 12 4.229 -12.338 10.065 47 1HB ASP 12 2HB ASP 12 3.422 -10.041 11.337 48 2HB ASP 12 1HB ASP 12 2.556 -9.973 9.816 49 H PHE 13 H PHE 13 4.677 -9.223 8.466 50 HA PHE 13 HA PHE 13 3.215 -9.856 6.089 51 1HB PHE 13 2HB PHE 13 3.567 -7.609 6.343 52 2HB PHE 13 1HB PHE 13 5.161 -7.836 7.033 53 HD1 PHE 13 HD1 PHE 13 7.110 -8.059 5.609 54 HD2 PHE 13 HD2 PHE 13 3.261 -7.430 3.963 55 HE1 PHE 13 HE1 PHE 13 8.148 -7.461 3.409 56 HE2 PHE 13 HE2 PHE 13 4.299 -6.832 1.764 57 HZ PHE 13 HZ PHE 13 6.730 -6.856 1.513 58 H ARG 14 H ARG 14 6.698 -9.755 6.801 59 HA ARG 14 HA ARG 14 7.566 -10.712 4.290 60 1HB ARG 14 2HB ARG 14 9.296 -9.823 5.525 61 2HB ARG 14 1HB ARG 14 8.779 -10.607 7.004 62 1HG ARG 14 2HG ARG 14 9.712 -12.659 6.390 63 2HG ARG 14 1HG ARG 14 9.757 -12.236 4.691 64 1HD ARG 14 2HD ARG 14 12.002 -12.079 5.370 65 2HD ARG 14 1HD ARG 14 11.443 -10.419 5.390 66 HE ARG 14 HE ARG 14 10.928 -11.259 7.952 67 1HH1 ARG 14 2HH1 ARG 14 13.842 -11.326 5.913 68 2HH1 ARG 14 HH22 ARG 14 14.940 -11.216 7.271 69 1HH2 ARG 14 1HH1 ARG 14 12.350 -11.117 9.686 70 2HH2 ARG 14 2HH1 ARG 14 14.080 -11.096 9.429 71 H LYS 15 H LYS 15 6.301 -12.310 7.089 72 HA LYS 15 HA LYS 15 7.232 -14.911 6.637 73 1HB LYS 15 2HB LYS 15 6.217 -14.835 8.646 74 2HB LYS 15 1HB LYS 15 4.980 -13.721 8.100 75 1HG LYS 15 2HG LYS 15 4.800 -16.341 6.831 76 2HG LYS 15 1HG LYS 15 4.612 -16.407 8.571 77 1HD LYS 15 2HD LYS 15 2.730 -15.014 8.543 78 2HD LYS 15 1HD LYS 15 3.102 -14.392 6.947 79 1HE LYS 15 2HE LYS 15 1.303 -15.869 6.593 80 2HE LYS 15 1HE LYS 15 2.718 -16.788 6.119 81 1HZ LYS 15 1HZ LYS 15 2.713 -17.814 8.272 82 2HZ LYS 15 2HZ LYS 15 1.376 -16.946 8.720 83 3HZ LYS 15 3HZ LYS 15 1.266 -18.069 7.508 84 H LYS 16 H LYS 16 4.129 -13.519 5.624 85 HA LYS 16 HA LYS 16 3.786 -15.697 3.714 86 1HB LYS 16 2HB LYS 16 1.952 -14.615 5.158 87 2HB LYS 16 1HB LYS 16 1.947 -13.363 3.932 88 1HG LYS 16 2HG LYS 16 0.288 -14.912 3.258 89 2HG LYS 16 1HG LYS 16 1.669 -15.230 2.229 90 1HD LYS 16 2HD LYS 16 2.286 -16.956 4.109 91 2HD LYS 16 1HD LYS 16 0.574 -16.859 4.474 92 1HE LYS 16 2HE LYS 16 0.598 -18.595 2.947 93 2HE LYS 16 1HE LYS 16 0.311 -17.229 1.888 94 1HZ LYS 16 1HZ LYS 16 2.652 -17.151 1.434 95 2HZ LYS 16 2HZ LYS 16 2.923 -18.442 2.434 96 3HZ LYS 16 3HZ LYS 16 2.039 -18.640 1.048 97 H PHE 17 H PHE 17 4.713 -12.359 3.802 98 HA PHE 17 HA PHE 17 4.691 -12.091 0.882 99 1HB PHE 17 2HB PHE 17 5.511 -10.364 3.201 100 2HB PHE 17 1HB PHE 17 5.731 -9.866 1.535 101 HD1 PHE 17 HD1 PHE 17 4.143 -8.435 0.720 102 HD2 PHE 17 HD2 PHE 17 3.004 -11.298 3.623 103 HE1 PHE 17 HE1 PHE 17 1.803 -7.548 0.678 104 HE2 PHE 17 HE2 PHE 17 0.664 -10.411 3.581 105 HZ PHE 17 HZ PHE 17 0.091 -8.546 2.107 106 H LYS 18 H LYS 18 6.375 -14.143 2.185 107 HA LYS 18 HA LYS 18 9.002 -13.638 2.510 108 1HB LYS 18 2HB LYS 18 9.515 -15.805 1.694 109 2HB LYS 18 1HB LYS 18 7.930 -15.881 2.438 110 1HG LYS 18 2HG LYS 18 7.308 -15.251 -0.148 111 2HG LYS 18 1HG LYS 18 8.706 -16.287 -0.355 112 1HD LYS 18 2HD LYS 18 6.940 -17.405 1.615 113 2HD LYS 18 1HD LYS 18 6.059 -17.081 0.135 114 1HE LYS 18 2HE LYS 18 8.700 -18.508 0.108 115 2HE LYS 18 1HE LYS 18 7.195 -19.371 0.350 116 1HZ LYS 18 1HZ LYS 18 6.413 -18.491 -1.726 117 2HZ LYS 18 2HZ LYS 18 7.835 -17.676 -1.954 118 3HZ LYS 18 3HZ LYS 18 7.822 -19.331 -1.950 119 H TYR 19 H TYR 19 7.402 -12.110 0.296 120 HA TYR 19 HA TYR 19 8.919 -12.290 -2.103 121 1HB TYR 19 2HB TYR 19 6.998 -11.105 -2.403 122 2HB TYR 19 1HB TYR 19 7.024 -10.472 -0.769 123 HD1 TYR 19 HD1 TYR 19 9.200 -10.152 -3.796 124 HD2 TYR 19 HD2 TYR 19 7.072 -8.172 -0.671 125 HE1 TYR 19 HE1 TYR 19 9.991 -7.906 -4.669 126 HE2 TYR 19 HE2 TYR 19 7.870 -5.933 -1.555 127 HH TYR 19 HH TYR 19 9.034 -4.931 -3.064 128 H ASP 20 H ASP 20 10.968 -11.816 -2.463 129 HA ASP 20 HA ASP 20 12.357 -9.968 -0.610 130 1HB ASP 20 2HB ASP 20 13.543 -11.997 -0.859 131 2HB ASP 20 1HB ASP 20 13.309 -12.000 -2.596 132 H GLY 21 H GLY 21 11.831 -7.959 -1.298 133 1HA GLY 21 2HA GLY 21 12.981 -7.171 -3.891 134 2HA GLY 21 1HA GLY 21 11.275 -6.851 -3.649 135 H GLU 22 H GLU 22 12.164 -4.631 -4.078 136 HA GLU 22 HA GLU 22 13.292 -3.447 -1.614 137 1HB GLU 22 2HB GLU 22 14.575 -2.971 -3.609 138 2HB GLU 22 1HB GLU 22 13.150 -2.325 -4.397 139 1HG GLU 22 2HG GLU 22 13.185 -0.849 -2.120 140 2HG GLU 22 1HG GLU 22 14.900 -1.097 -2.378 141 H ILE 23 H ILE 23 11.521 -3.325 -0.332 142 HA ILE 23 HA ILE 23 9.036 -2.252 -1.252 143 HB ILE 23 HB ILE 23 10.088 -3.342 1.157 144 1HG1 ILE 23 2HG1 ILE 23 7.216 -2.939 0.430 145 2HG1 ILE 23 1HG1 ILE 23 8.218 -4.170 -0.312 146 1HG2 ILE 23 1HG2 ILE 23 10.002 -1.086 2.054 147 2HG2 ILE 23 2HG2 ILE 23 8.298 -0.927 1.503 148 3HG2 ILE 23 3HG2 ILE 23 8.720 -2.108 2.791 149 1HD1 ILE 23 1HG1 ILE 23 8.690 -5.155 1.906 150 2HD1 ILE 23 2HG1 ILE 23 7.661 -3.893 2.667 151 3HD1 ILE 23 3HG1 ILE 23 6.925 -5.111 1.569 152 H ARG 24 H ARG 24 8.815 -0.320 -2.032 153 HA ARG 24 HA ARG 24 9.611 1.957 -0.382 154 1HB ARG 24 2HB ARG 24 11.623 1.555 -1.748 155 2HB ARG 24 1HB ARG 24 10.646 1.698 -3.195 156 1HG ARG 24 2HG ARG 24 11.089 3.892 -3.147 157 2HG ARG 24 1HG ARG 24 10.045 3.986 -1.743 158 1HD ARG 24 2HD ARG 24 12.604 3.048 -0.906 159 2HD ARG 24 1HD ARG 24 12.830 4.487 -1.878 160 HE ARG 24 HE ARG 24 10.717 4.695 0.143 161 1HH1 ARG 24 2HH1 ARG 24 14.157 5.230 -0.588 162 2HH1 ARG 24 HH22 ARG 24 14.367 6.411 0.686 163 1HH2 ARG 24 1HH1 ARG 24 11.001 6.214 1.774 164 2HH2 ARG 24 2HH1 ARG 24 12.557 6.970 2.034 165 H VAL 25 H VAL 25 7.864 3.129 -0.261 166 HA VAL 25 HA VAL 25 5.732 2.916 -2.144 167 HB VAL 25 HB VAL 25 6.222 4.986 -0.042 168 1HG1 VAL 25 1HG1 VAL 25 4.579 5.764 -1.668 169 2HG1 VAL 25 2HG1 VAL 25 3.665 4.228 -1.479 170 3HG1 VAL 25 3HG1 VAL 25 3.789 5.375 -0.100 171 1HG2 VAL 25 1HG2 VAL 25 4.659 2.394 0.090 172 2HG2 VAL 25 2HG2 VAL 25 6.216 2.744 0.918 173 3HG2 VAL 25 3HG2 VAL 25 4.729 3.641 1.384 174 H LEU 26 H LEU 26 6.187 3.376 -4.184 175 HA LEU 26 HA LEU 26 7.594 5.883 -4.774 176 1HB LEU 26 2HB LEU 26 7.999 3.565 -5.858 177 2HB LEU 26 1HB LEU 26 6.649 4.028 -6.873 178 HG LEU 26 HG LEU 26 9.403 5.027 -6.810 179 1HD1 LEU 26 1HD1 LEU 26 8.678 3.549 -8.597 180 2HD1 LEU 26 2HD1 LEU 26 7.353 4.693 -9.012 181 3HD1 LEU 26 3HD1 LEU 26 9.068 5.180 -9.246 182 1HD2 LEU 26 1HD2 LEU 26 7.077 6.840 -7.488 183 2HD2 LEU 26 2HD2 LEU 26 8.228 7.038 -6.121 184 3HD2 LEU 26 3HD2 LEU 26 8.808 7.196 -7.815 185 H TYR 27 H TYR 27 4.537 4.261 -5.456 186 HA TYR 27 HA TYR 27 3.352 6.940 -6.041 187 1HB TYR 27 2HB TYR 27 1.982 5.819 -7.686 188 2HB TYR 27 1HB TYR 27 3.664 5.451 -8.008 189 HD1 TYR 27 HD1 TYR 27 4.581 3.208 -7.237 190 HD2 TYR 27 HD2 TYR 27 0.410 4.103 -7.346 191 HE1 TYR 27 HE1 TYR 27 4.042 0.731 -7.183 192 HE2 TYR 27 HE2 TYR 27 -0.116 1.621 -7.291 193 HH TYR 27 HH TYR 27 0.706 -0.370 -7.223 194 H SER 28 H SER 28 2.675 7.164 -3.874 195 HA SER 28 HA SER 28 1.087 5.139 -2.588 196 1HB SER 28 2HB SER 28 0.657 6.802 -0.888 197 2HB SER 28 1HB SER 28 2.357 6.803 -1.313 198 HG SER 28 HG SER 28 1.490 8.929 -1.164 199 H THR 29 H THR 29 -0.790 4.511 -3.316 200 HA THR 29 HA THR 29 -2.519 6.434 -4.699 201 HB THR 29 HB THR 29 -1.963 3.950 -5.389 202 HG1 THR 29 HG1 THR 29 -4.079 4.074 -6.381 203 1HG2 THR 29 1HG2 THR 29 -2.910 2.948 -3.239 204 2HG2 THR 29 2HG2 THR 29 -4.492 3.677 -3.684 205 3HG2 THR 29 3HG2 THR 29 -3.766 2.402 -4.723 206 H LYS 30 H LYS 30 -4.783 6.612 -4.204 207 HA LYS 30 HA LYS 30 -5.176 6.557 -1.275 208 1HB LYS 30 2HB LYS 30 -5.325 8.770 -2.123 209 2HB LYS 30 1HB LYS 30 -6.434 8.272 -3.385 210 1HG LYS 30 2HG LYS 30 -7.482 7.487 -0.840 211 2HG LYS 30 1HG LYS 30 -7.072 9.190 -0.798 212 1HD LYS 30 2HD LYS 30 -8.372 9.508 -2.891 213 2HD LYS 30 1HD LYS 30 -8.856 7.826 -2.809 214 1HE LYS 30 2HE LYS 30 -10.495 8.319 -1.368 215 2HE LYS 30 1HE LYS 30 -9.362 9.108 -0.289 216 1HZ LYS 30 1HZ LYS 30 -9.562 11.087 -1.604 217 2HZ LYS 30 2HZ LYS 30 -10.633 10.342 -2.624 218 3HZ LYS 30 3HZ LYS 30 -11.047 10.614 -1.044 219 H VAL 31 H VAL 31 -6.780 5.492 -0.323 220 HA VAL 31 HA VAL 31 -8.009 3.386 -1.841 221 HB VAL 31 HB VAL 31 -8.924 4.106 0.876 222 1HG1 VAL 31 1HG1 VAL 31 -9.896 2.147 -0.205 223 2HG1 VAL 31 2HG1 VAL 31 -8.249 1.473 -0.462 224 3HG1 VAL 31 3HG1 VAL 31 -8.892 1.664 1.206 225 1HG2 VAL 31 1HG2 VAL 31 -6.203 2.919 0.269 226 2HG2 VAL 31 2HG2 VAL 31 -6.525 4.530 1.001 227 3HG2 VAL 31 3HG2 VAL 31 -6.955 3.032 1.898 228 H THR 32 H THR 32 -9.728 3.455 -3.039 229 HA THR 32 HA THR 32 -11.382 5.821 -3.077 230 HB THR 32 HB THR 32 -10.725 4.461 -5.106 231 HG1 THR 32 HG1 THR 32 -12.903 4.760 -5.906 232 1HG2 THR 32 1HG2 THR 32 -11.283 2.173 -4.121 233 2HG2 THR 32 2HG2 THR 32 -13.005 2.689 -4.088 234 3HG2 THR 32 3HG2 THR 32 -12.146 2.521 -5.658 235 H THR 33 H THR 33 -13.865 5.343 -3.328 236 HA THR 33 HA THR 33 -14.678 4.446 -0.687 237 HB THR 33 HB THR 33 -15.542 6.502 -2.029 238 HG1 THR 33 HG1 THR 33 -17.547 6.098 -0.892 239 1HG2 THR 33 1HG2 THR 33 -16.294 5.145 -4.059 240 2HG2 THR 33 2HG2 THR 33 -17.438 4.287 -2.969 241 3HG2 THR 33 3HG2 THR 33 -17.630 6.050 -3.267 242 H SER 34 H SER 34 -14.314 3.083 -3.750 243 HA SER 34 HA SER 34 -16.292 0.962 -3.216 244 1HB SER 34 2HB SER 34 -16.453 1.657 -5.439 245 2HB SER 34 1HB SER 34 -14.714 1.738 -5.631 246 HG SER 34 HG SER 34 -15.623 -0.113 -6.654 247 H ILE 35 H ILE 35 -13.528 1.547 -1.960 248 HA ILE 35 HA ILE 35 -11.953 -0.752 -2.642 249 HB ILE 35 HB ILE 35 -11.541 1.575 -1.257 250 1HG1 ILE 35 2HG1 ILE 35 -10.060 -0.243 -2.607 251 2HG1 ILE 35 1HG1 ILE 35 -9.418 1.166 -1.788 252 1HG2 ILE 35 1HG2 ILE 35 -12.377 0.614 0.811 253 2HG2 ILE 35 2HG2 ILE 35 -11.230 -0.760 0.643 254 3HG2 ILE 35 3HG2 ILE 35 -10.606 0.903 0.921 255 1HD1 ILE 35 1HG1 ILE 35 -9.029 -0.170 0.255 256 2HD1 ILE 35 2HG1 ILE 35 -9.687 -1.616 -0.586 257 3HD1 ILE 35 3HG1 ILE 35 -8.159 -0.862 -1.158 258 H THR 36 H THR 36 -11.261 -2.311 -0.869 259 HA THR 36 HA THR 36 -13.603 -3.805 -0.157 260 HB THR 36 HB THR 36 -11.624 -5.020 -0.768 261 HG1 THR 36 HG1 THR 36 -11.425 -6.194 1.246 262 1HG2 THR 36 1HG2 THR 36 -9.923 -3.261 -0.038 263 2HG2 THR 36 2HG2 THR 36 -10.297 -3.712 1.662 264 3HG2 THR 36 3HG2 THR 36 -9.545 -4.915 0.558 265 H SER 37 H SER 37 -14.914 -3.466 1.444 266 HA SER 37 HA SER 37 -13.787 -2.275 3.922 267 1HB SER 37 2HB SER 37 -16.489 -1.773 4.013 268 2HB SER 37 1HB SER 37 -15.237 -0.615 3.612 269 HG SER 37 HG SER 37 -16.890 -0.706 2.015 270 H LYS 38 H LYS 38 -15.762 -4.695 2.437 271 HA LYS 38 HA LYS 38 -16.371 -5.824 5.101 272 1HB LYS 38 2HB LYS 38 -18.294 -6.718 4.290 273 2HB LYS 38 1HB LYS 38 -18.157 -5.319 3.244 274 1HG LYS 38 2HG LYS 38 -17.152 -6.680 1.500 275 2HG LYS 38 1HG LYS 38 -17.167 -8.082 2.551 276 1HD LYS 38 2HD LYS 38 -19.323 -8.521 2.102 277 2HD LYS 38 1HD LYS 38 -19.788 -6.843 2.298 278 1HE LYS 38 2HE LYS 38 -20.209 -7.645 0.006 279 2HE LYS 38 1HE LYS 38 -19.033 -6.346 0.032 280 1HZ LYS 38 1HZ LYS 38 -17.298 -7.979 -0.097 281 2HZ LYS 38 2HZ LYS 38 -18.409 -9.206 -0.122 282 3HZ LYS 38 3HZ LYS 38 -18.332 -8.133 -1.381 283 H LYS 39 H LYS 39 -15.195 -6.666 1.882 284 HA LYS 39 HA LYS 39 -14.371 -9.295 2.645 285 1HB LYS 39 2HB LYS 39 -14.746 -8.090 0.278 286 2HB LYS 39 1HB LYS 39 -12.997 -8.044 0.379 287 1HG LYS 39 2HG LYS 39 -13.191 -10.120 -0.532 288 2HG LYS 39 1HG LYS 39 -13.408 -10.581 1.144 289 1HD LYS 39 2HD LYS 39 -15.185 -11.627 0.005 290 2HD LYS 39 1HD LYS 39 -15.906 -10.214 0.749 291 1HE LYS 39 2HE LYS 39 -16.680 -10.415 -1.548 292 2HE LYS 39 1HE LYS 39 -15.665 -8.995 -1.390 293 1HZ LYS 39 1HZ LYS 39 -13.844 -10.258 -2.272 294 2HZ LYS 39 2HZ LYS 39 -14.803 -11.600 -2.422 295 3HZ LYS 39 3HZ LYS 39 -15.113 -10.255 -3.336 296 H TRP 40 H TRP 40 -12.728 -9.972 3.759 297 HA TRP 40 HA TRP 40 -10.280 -8.354 3.832 298 1HB TRP 40 2HB TRP 40 -11.834 -9.076 6.289 299 2HB TRP 40 1HB TRP 40 -10.168 -8.532 6.305 300 HD1 TRP 40 HD1 TRP 40 -13.111 -7.032 7.324 301 HE1 TRP 40 HE1 TRP 40 -9.524 -6.803 3.742 302 HE3 TRP 40 HE3 TRP 40 -13.337 -4.506 6.796 303 HZ2 TRP 40 HZ2 TRP 40 -9.096 -4.598 2.667 304 HZ3 TRP 40 HZ3 TRP 40 -12.097 -2.657 5.036 305 HH2 TRP 40 HH2 TRP 40 -10.314 -2.571 3.262 306 H GLY 41 H GLY 41 -8.531 -9.558 3.728 307 1HA GLY 41 2HA GLY 41 -8.882 -12.480 4.189 308 2HA GLY 41 1HA GLY 41 -7.870 -11.811 2.925 309 H THR 42 H THR 42 -6.985 -13.659 4.834 310 HA THR 42 HA THR 42 -5.722 -12.537 7.075 311 HB THR 42 HB THR 42 -4.252 -14.599 6.887 312 HG1 THR 42 HG1 THR 42 -4.849 -15.887 5.025 313 1HG2 THR 42 1HG2 THR 42 -6.593 -14.772 7.894 314 2HG2 THR 42 2HG2 THR 42 -7.201 -15.106 6.235 315 3HG2 THR 42 3HG2 THR 42 -6.073 -16.260 7.028 316 H ARG 43 H ARG 43 -4.769 -12.661 3.716 317 HA ARG 43 HA ARG 43 -2.213 -11.334 4.351 318 1HB ARG 43 2HB ARG 43 -3.203 -12.968 2.152 319 2HB ARG 43 1HB ARG 43 -2.335 -11.543 1.617 320 1HG ARG 43 2HG ARG 43 -0.510 -12.212 3.255 321 2HG ARG 43 1HG ARG 43 -1.340 -13.748 3.402 322 1HD ARG 43 2HD ARG 43 -0.778 -12.797 0.654 323 2HD ARG 43 1HD ARG 43 0.597 -13.329 1.600 324 HE ARG 43 HE ARG 43 -1.350 -15.308 1.934 325 1HH1 ARG 43 2HH1 ARG 43 0.455 -13.907 -0.792 326 2HH1 ARG 43 HH22 ARG 43 0.399 -15.376 -1.740 327 1HH2 ARG 43 1HH1 ARG 43 -1.415 -17.188 0.707 328 2HH2 ARG 43 2HH1 ARG 43 -0.673 -17.253 -0.876 329 H ASP 44 H ASP 44 -5.232 -10.371 4.131 330 HA ASP 44 HA ASP 44 -4.679 -7.996 2.434 331 1HB ASP 44 2HB ASP 44 -6.926 -9.624 2.670 332 2HB ASP 44 1HB ASP 44 -7.339 -8.154 3.528 333 H LEU 45 H LEU 45 -5.479 -5.923 3.220 334 HA LEU 45 HA LEU 45 -4.930 -5.691 6.109 335 1HB LEU 45 2HB LEU 45 -3.829 -4.354 4.072 336 2HB LEU 45 1HB LEU 45 -5.131 -3.262 4.499 337 HG LEU 45 HG LEU 45 -4.262 -3.296 6.826 338 1HD1 LEU 45 1HD1 LEU 45 -2.993 -5.366 6.764 339 2HD1 LEU 45 2HD1 LEU 45 -1.884 -4.656 5.540 340 3HD1 LEU 45 3HD1 LEU 45 -1.929 -3.986 7.209 341 1HD2 LEU 45 1HD2 LEU 45 -2.428 -2.211 4.677 342 2HD2 LEU 45 2HD2 LEU 45 -3.877 -1.396 5.362 343 3HD2 LEU 45 3HD2 LEU 45 -2.439 -1.694 6.399 344 H GLN 46 H GLN 46 -6.180 -4.252 7.415 345 HA GLN 46 HA GLN 46 -9.021 -4.551 6.763 346 1HB GLN 46 2HB GLN 46 -8.433 -5.236 8.965 347 2HB GLN 46 1HB GLN 46 -7.615 -3.719 9.278 348 1HG GLN 46 2HG GLN 46 -9.570 -2.573 9.607 349 2HG GLN 46 1HG GLN 46 -10.475 -3.589 8.504 350 1HE2 GLN 46 1HE2 GLN 46 -10.756 -5.882 9.178 351 2HE2 GLN 46 2HE2 GLN 46 -11.145 -6.192 10.855 352 H VAL 47 H VAL 47 -7.409 -2.713 5.254 353 HA VAL 47 HA VAL 47 -7.856 -0.045 6.125 354 HB VAL 47 HB VAL 47 -7.283 0.600 3.888 355 1HG1 VAL 47 1HG1 VAL 47 -5.451 -0.063 5.356 356 2HG1 VAL 47 2HG1 VAL 47 -5.641 -1.769 4.823 357 3HG1 VAL 47 3HG1 VAL 47 -5.098 -0.517 3.652 358 1HG2 VAL 47 1HG2 VAL 47 -7.583 -2.328 3.169 359 2HG2 VAL 47 2HG2 VAL 47 -8.648 -0.984 2.632 360 3HG2 VAL 47 3HG2 VAL 47 -6.936 -1.046 2.087 361 H LYS 48 H LYS 48 -9.269 1.540 5.127 362 HA LYS 48 HA LYS 48 -11.890 0.317 4.474 363 1HB LYS 48 2HB LYS 48 -12.856 1.418 6.126 364 2HB LYS 48 1HB LYS 48 -11.266 1.925 6.659 365 1HG LYS 48 2HG LYS 48 -11.394 3.935 5.357 366 2HG LYS 48 1HG LYS 48 -12.865 3.395 4.574 367 1HD LYS 48 2HD LYS 48 -12.478 4.340 7.389 368 2HD LYS 48 1HD LYS 48 -13.638 4.890 6.197 369 1HE LYS 48 2HE LYS 48 -14.682 2.582 6.339 370 2HE LYS 48 1HE LYS 48 -13.669 2.308 7.742 371 1HZ LYS 48 1HZ LYS 48 -14.667 4.212 8.775 372 2HZ LYS 48 2HZ LYS 48 -15.625 4.470 7.449 373 3HZ LYS 48 3HZ LYS 48 -15.827 3.104 8.363 374 HA PRO 49 HA PRO 49 -11.846 2.572 0.811 375 1HB PRO 49 2HB PRO 49 -14.543 2.929 0.370 376 2HB PRO 49 1HB PRO 49 -13.653 1.462 0.019 377 1HG PRO 49 2HG PRO 49 -15.547 2.001 2.183 378 2HG PRO 49 1HG PRO 49 -14.982 0.461 1.567 379 1HD PRO 49 2HD PRO 49 -14.168 1.755 3.962 380 2HD PRO 49 1HD PRO 49 -13.521 0.273 3.287 381 H GLY 50 H GLY 50 -11.420 4.592 0.282 382 1HA GLY 50 2HA GLY 50 -11.997 6.914 0.127 383 2HA GLY 50 1HA GLY 50 -12.965 6.761 1.579 384 H GLU 51 H GLU 51 -10.142 5.057 1.950 385 HA GLU 51 HA GLU 51 -8.983 7.258 3.544 386 1HB GLU 51 2HB GLU 51 -9.534 4.948 4.531 387 2HB GLU 51 1HB GLU 51 -8.087 4.416 3.698 388 1HG GLU 51 2HG GLU 51 -6.697 5.585 5.080 389 2HG GLU 51 1HG GLU 51 -7.854 6.877 5.325 390 H SER 52 H SER 52 -6.529 7.124 3.749 391 HA SER 52 HA SER 52 -5.399 6.744 1.029 392 1HB SER 52 2HB SER 52 -5.239 8.998 1.071 393 2HB SER 52 1HB SER 52 -5.293 9.074 2.821 394 HG SER 52 HG SER 52 -3.240 9.682 1.981 395 H LEU 53 H LEU 53 -3.707 5.484 0.861 396 HA LEU 53 HA LEU 53 -1.988 5.095 3.208 397 1HB LEU 53 2HB LEU 53 -3.134 3.255 3.721 398 2HB LEU 53 1HB LEU 53 -3.787 3.080 2.105 399 HG LEU 53 HG LEU 53 -2.414 1.198 2.741 400 1HD1 LEU 53 1HD1 LEU 53 -2.594 1.751 0.382 401 2HD1 LEU 53 2HD1 LEU 53 -1.198 2.874 0.532 402 3HD1 LEU 53 3HD1 LEU 53 -0.958 1.106 0.755 403 1HD2 LEU 53 1HD2 LEU 53 -0.149 3.195 2.945 404 2HD2 LEU 53 2HD2 LEU 53 -0.891 2.273 4.298 405 3HD2 LEU 53 3HD2 LEU 53 0.025 1.407 3.017 406 H GLU 54 H GLU 54 0.066 4.201 2.742 407 HA GLU 54 HA GLU 54 1.052 5.164 0.208 408 1HB GLU 54 2HB GLU 54 2.202 4.254 2.716 409 2HB GLU 54 1HB GLU 54 3.121 3.752 1.311 410 1HG GLU 54 2HG GLU 54 2.918 6.193 0.542 411 2HG GLU 54 1HG GLU 54 2.431 6.537 2.189 412 H VAL 55 H VAL 55 1.490 4.145 -1.605 413 HA VAL 55 HA VAL 55 0.893 1.251 -1.660 414 HB VAL 55 HB VAL 55 0.628 3.449 -3.602 415 1HG1 VAL 55 1HG1 VAL 55 2.128 1.943 -4.797 416 2HG1 VAL 55 2HG1 VAL 55 1.032 0.564 -4.434 417 3HG1 VAL 55 3HG1 VAL 55 0.478 1.895 -5.509 418 1HG2 VAL 55 1HG2 VAL 55 -1.067 1.024 -2.953 419 2HG2 VAL 55 2HG2 VAL 55 -1.329 2.700 -2.357 420 3HG2 VAL 55 3HG2 VAL 55 -1.508 2.330 -4.107 421 H ILE 56 H ILE 56 2.341 -0.236 -2.160 422 HA ILE 56 HA ILE 56 5.101 0.716 -2.486 423 HB ILE 56 HB ILE 56 4.179 -2.075 -1.996 424 1HG1 ILE 56 2HG1 ILE 56 4.653 0.154 -0.083 425 2HG1 ILE 56 1HG1 ILE 56 3.329 -0.991 -0.145 426 1HG2 ILE 56 1HG2 ILE 56 6.442 -1.943 -2.870 427 2HG2 ILE 56 2HG2 ILE 56 6.869 -0.746 -1.598 428 3HG2 ILE 56 3HG2 ILE 56 6.461 -2.437 -1.141 429 1HD1 ILE 56 1HG1 ILE 56 4.847 -2.819 0.539 430 2HD1 ILE 56 2HG1 ILE 56 6.206 -1.644 0.603 431 3HD1 ILE 56 3HG1 ILE 56 4.831 -1.491 1.751 432 H GLN 57 H GLN 57 5.542 -2.130 -3.614 433 HA GLN 57 HA GLN 57 5.267 -1.247 -6.410 434 1HB GLN 57 2HB GLN 57 6.968 -3.299 -5.065 435 2HB GLN 57 1HB GLN 57 6.732 -3.319 -6.801 436 1HG GLN 57 2HG GLN 57 7.820 -1.007 -5.199 437 2HG GLN 57 1HG GLN 57 8.761 -2.083 -6.212 438 1HE2 GLN 57 1HE2 GLN 57 7.822 -2.348 -8.487 439 2HE2 GLN 57 2HE2 GLN 57 7.410 -0.867 -9.322 440 H THR 58 H THR 58 4.564 -2.695 -8.059 441 HA THR 58 HA THR 58 2.092 -3.942 -7.365 442 HB THR 58 HB THR 58 2.329 -4.708 -9.862 443 HG1 THR 58 HG1 THR 58 4.060 -3.452 -10.810 444 1HG2 THR 58 1HG2 THR 58 1.056 -2.613 -9.142 445 2HG2 THR 58 2HG2 THR 58 2.621 -1.730 -9.205 446 3HG2 THR 58 3HG2 THR 58 1.919 -2.424 -10.708 447 H THR 59 H THR 59 1.738 -5.797 -6.452 448 HA THR 59 HA THR 59 3.714 -7.672 -5.833 449 HB THR 59 HB THR 59 0.754 -7.586 -5.773 450 HG1 THR 59 HG1 THR 59 1.417 -8.175 -3.608 451 1HG2 THR 59 1HG2 THR 59 1.243 -9.925 -6.676 452 2HG2 THR 59 2HG2 THR 59 2.365 -10.146 -5.288 453 3HG2 THR 59 3HG2 THR 59 0.605 -9.925 -4.996 454 H ASP 60 H ASP 60 1.059 -8.400 -8.059 455 HA ASP 60 HA ASP 60 2.946 -10.079 -9.622 456 1HB ASP 60 2HB ASP 60 1.115 -11.389 -8.970 457 2HB ASP 60 1HB ASP 60 -0.024 -10.093 -9.275 458 H ASP 61 H ASP 61 -0.126 -8.924 -10.758 459 HA ASP 61 HA ASP 61 1.286 -7.260 -12.789 460 1HB ASP 61 2HB ASP 61 -1.430 -8.433 -13.184 461 2HB ASP 61 1HB ASP 61 -0.296 -7.860 -14.390 462 H THR 62 H THR 62 -1.900 -7.747 -11.286 463 HA THR 62 HA THR 62 -2.151 -4.794 -11.116 464 HB THR 62 HB THR 62 -4.605 -6.469 -11.274 465 HG1 THR 62 HG1 THR 62 -4.187 -6.552 -13.575 466 1HG2 THR 62 1HG2 THR 62 -4.656 -3.915 -11.264 467 2HG2 THR 62 2HG2 THR 62 -3.676 -3.964 -12.771 468 3HG2 THR 62 3HG2 THR 62 -5.342 -4.641 -12.759 469 H LYS 63 H LYS 63 -0.925 -5.274 -9.097 470 HA LYS 63 HA LYS 63 -2.844 -5.335 -6.926 471 1HB LYS 63 2HB LYS 63 -2.446 -7.717 -7.233 472 2HB LYS 63 1HB LYS 63 -0.726 -7.456 -7.027 473 1HG LYS 63 2HG LYS 63 -0.905 -7.389 -4.791 474 2HG LYS 63 1HG LYS 63 -2.281 -6.307 -4.859 475 1HD LYS 63 2HD LYS 63 -3.426 -8.080 -4.054 476 2HD LYS 63 1HD LYS 63 -3.403 -8.626 -5.719 477 1HE LYS 63 2HE LYS 63 -1.656 -10.129 -5.332 478 2HE LYS 63 1HE LYS 63 -1.148 -9.307 -3.870 479 1HZ LYS 63 1HZ LYS 63 -3.154 -10.049 -2.814 480 2HZ LYS 63 2HZ LYS 63 -3.634 -10.826 -4.195 481 3HZ LYS 63 3HZ LYS 63 -2.288 -11.342 -3.380 482 H VAL 64 H VAL 64 -2.315 -3.970 -5.400 483 HA VAL 64 HA VAL 64 0.495 -3.014 -5.389 484 HB VAL 64 HB VAL 64 -0.327 -0.835 -4.760 485 1HG1 VAL 64 1HG1 VAL 64 -0.001 -1.289 -7.135 486 2HG1 VAL 64 2HG1 VAL 64 -1.682 -1.917 -7.246 487 3HG1 VAL 64 3HG1 VAL 64 -1.394 -0.180 -6.884 488 1HG2 VAL 64 1HG2 VAL 64 -3.095 -2.034 -5.055 489 2HG2 VAL 64 2HG2 VAL 64 -2.329 -1.482 -3.525 490 3HG2 VAL 64 3HG2 VAL 64 -2.731 -0.290 -4.810 491 H LEU 65 H LEU 65 1.599 -3.076 -3.571 492 HA LEU 65 HA LEU 65 0.254 -4.268 -1.263 493 1HB LEU 65 2HB LEU 65 2.215 -5.366 -1.681 494 2HB LEU 65 1HB LEU 65 3.080 -3.891 -2.060 495 HG LEU 65 HG LEU 65 3.037 -3.304 0.317 496 1HD1 LEU 65 1HD1 LEU 65 1.055 -4.518 1.023 497 2HD1 LEU 65 2HD1 LEU 65 1.886 -6.078 0.691 498 3HD1 LEU 65 3HD1 LEU 65 2.478 -5.007 2.008 499 1HD2 LEU 65 1HD2 LEU 65 4.327 -5.963 -0.333 500 2HD2 LEU 65 2HD2 LEU 65 5.018 -4.332 -0.641 501 3HD2 LEU 65 3HD2 LEU 65 4.767 -4.899 1.047 502 H CYS 66 H CYS 66 -0.396 -3.262 0.468 503 HA CYS 66 HA CYS 66 0.093 -0.368 0.605 504 1HB CYS 66 2HB CYS 66 -2.084 -0.446 1.129 505 2HB CYS 66 1HB CYS 66 -2.015 -2.147 1.544 506 HG CYS 66 HG CYS 66 -2.807 -0.704 3.894 507 H ARG 67 H ARG 67 0.889 0.675 2.437 508 HA ARG 67 HA ARG 67 2.266 -1.055 4.397 509 1HB ARG 67 2HB ARG 67 3.718 -0.096 2.368 510 2HB ARG 67 1HB ARG 67 3.788 1.286 3.442 511 1HG ARG 67 2HG ARG 67 4.558 -0.243 5.258 512 2HG ARG 67 1HG ARG 67 4.625 -1.538 4.080 513 1HD ARG 67 2HD ARG 67 6.531 -0.751 3.134 514 2HD ARG 67 1HD ARG 67 6.045 0.923 3.311 515 HE ARG 67 HE ARG 67 6.648 -0.299 5.866 516 1HH1 ARG 67 2HH1 ARG 67 8.135 1.216 3.011 517 2HH1 ARG 67 HH22 ARG 67 9.570 1.719 3.876 518 1HH2 ARG 67 1HH1 ARG 67 8.497 0.352 6.965 519 2HH2 ARG 67 2HH1 ARG 67 9.771 1.221 6.140 520 H ASN 68 H ASN 68 2.127 -0.369 6.410 521 HA ASN 68 HA ASN 68 1.202 2.432 6.839 522 1HB ASN 68 2HB ASN 68 0.316 1.291 9.051 523 2HB ASN 68 1HB ASN 68 -0.646 1.276 7.586 524 1HD2 ASN 68 1HD2 ASN 68 1.249 -0.527 9.832 525 2HD2 ASN 68 2HD2 ASN 68 0.910 -2.131 9.222 526 H GLU 69 H GLU 69 2.235 3.620 8.331 527 HA GLU 69 HA GLU 69 4.842 2.948 9.089 528 1HB GLU 69 2HB GLU 69 3.210 5.176 9.335 529 2HB GLU 69 1HB GLU 69 3.651 4.762 10.980 530 1HG GLU 69 2HG GLU 69 6.041 4.672 10.234 531 2HG GLU 69 1HG GLU 69 5.523 5.291 8.679 532 H GLU 70 H GLU 70 1.952 1.739 10.234 533 HA GLU 70 HA GLU 70 2.508 1.345 12.972 534 1HB GLU 70 2HB GLU 70 0.427 0.725 11.310 535 2HB GLU 70 1HB GLU 70 1.063 -0.852 11.736 536 1HG GLU 70 2HG GLU 70 0.492 -0.639 13.935 537 2HG GLU 70 1HG GLU 70 0.750 1.094 13.943 538 H GLY 71 H GLY 71 4.133 0.230 10.308 539 1HA GLY 71 2HA GLY 71 6.090 -1.066 10.350 540 2HA GLY 71 1HA GLY 71 5.689 -1.624 11.961 541 H LYS 72 H LYS 72 3.054 -1.765 9.889 542 HA LYS 72 HA LYS 72 3.622 -4.597 9.234 543 1HB LYS 72 2HB LYS 72 2.141 -4.795 11.018 544 2HB LYS 72 1HB LYS 72 1.168 -3.442 10.478 545 1HG LYS 72 2HG LYS 72 1.414 -5.779 8.661 546 2HG LYS 72 1HG LYS 72 0.400 -5.952 10.080 547 1HD LYS 72 2HD LYS 72 0.125 -3.647 8.169 548 2HD LYS 72 1HD LYS 72 -0.763 -5.144 7.972 549 1HE LYS 72 2HE LYS 72 -1.941 -4.833 10.001 550 2HE LYS 72 1HE LYS 72 -0.843 -3.575 10.534 551 1HZ LYS 72 1HZ LYS 72 -1.648 -2.191 8.765 552 2HZ LYS 72 2HZ LYS 72 -2.685 -3.380 8.262 553 3HZ LYS 72 3HZ LYS 72 -2.899 -2.666 9.741 554 H TYR 73 H TYR 73 2.673 -5.435 7.365 555 HA TYR 73 HA TYR 73 1.980 -3.309 5.386 556 1HB TYR 73 2HB TYR 73 3.363 -5.976 5.205 557 2HB TYR 73 1HB TYR 73 2.841 -5.084 3.790 558 HD1 TYR 73 HD1 TYR 73 4.737 -4.362 6.933 559 HD2 TYR 73 HD2 TYR 73 4.499 -3.918 2.695 560 HE1 TYR 73 HE1 TYR 73 6.914 -3.062 6.940 561 HE2 TYR 73 HE2 TYR 73 6.680 -2.623 2.716 562 HH TYR 73 HH TYR 73 8.272 -1.842 3.938 563 H GLY 74 H GLY 74 0.699 -4.174 3.512 564 1HA GLY 74 2HA GLY 74 -1.070 -6.422 4.089 565 2HA GLY 74 1HA GLY 74 -1.848 -4.853 4.127 566 H TYR 75 H TYR 75 -2.484 -6.947 2.344 567 HA TYR 75 HA TYR 75 -1.408 -5.985 -0.260 568 1HB TYR 75 2HB TYR 75 -2.539 -8.491 0.856 569 2HB TYR 75 1HB TYR 75 -2.835 -8.167 -0.840 570 HD1 TYR 75 HD1 TYR 75 -1.053 -10.313 0.790 571 HD2 TYR 75 HD2 TYR 75 -0.267 -6.851 -1.578 572 HE1 TYR 75 HE1 TYR 75 1.242 -11.223 0.210 573 HE2 TYR 75 HE2 TYR 75 2.026 -7.772 -2.149 574 HH TYR 75 HH TYR 75 3.406 -9.404 -1.875 575 H VAL 76 H VAL 76 -2.797 -5.497 -1.965 576 HA VAL 76 HA VAL 76 -5.663 -5.280 -1.347 577 HB VAL 76 HB VAL 76 -4.281 -2.923 -2.508 578 1HG1 VAL 76 1HG1 VAL 76 -6.707 -3.021 -2.744 579 2HG1 VAL 76 2HG1 VAL 76 -6.870 -3.250 -0.968 580 3HG1 VAL 76 3HG1 VAL 76 -6.229 -1.702 -1.619 581 1HG2 VAL 76 1HG2 VAL 76 -4.687 -3.439 0.450 582 2HG2 VAL 76 2HG2 VAL 76 -3.110 -3.331 -0.408 583 3HG2 VAL 76 3HG2 VAL 76 -4.164 -1.880 -0.278 584 H LEU 77 H LEU 77 -6.844 -6.016 -2.926 585 HA LEU 77 HA LEU 77 -5.540 -6.684 -5.434 586 1HB LEU 77 2HB LEU 77 -7.430 -7.911 -4.003 587 2HB LEU 77 1HB LEU 77 -8.425 -7.075 -5.178 588 HG LEU 77 HG LEU 77 -6.461 -9.251 -5.577 589 1HD1 LEU 77 1HD1 LEU 77 -8.789 -9.876 -5.270 590 2HD1 LEU 77 2HD1 LEU 77 -9.266 -8.776 -6.610 591 3HD1 LEU 77 3HD1 LEU 77 -8.258 -10.225 -6.953 592 1HD2 LEU 77 1HD2 LEU 77 -7.353 -7.331 -7.739 593 2HD2 LEU 77 2HD2 LEU 77 -5.683 -7.530 -7.104 594 3HD2 LEU 77 3HD2 LEU 77 -6.466 -8.871 -8.011 595 H ARG 78 H ARG 78 -5.904 -5.880 -7.428 596 HA ARG 78 HA ARG 78 -6.470 -3.128 -7.621 597 1HB ARG 78 2HB ARG 78 -6.346 -3.382 -9.976 598 2HB ARG 78 1HB ARG 78 -5.211 -4.530 -9.295 599 1HG ARG 78 2HG ARG 78 -6.285 -6.236 -10.260 600 2HG ARG 78 1HG ARG 78 -7.799 -5.748 -9.527 601 1HD ARG 78 2HD ARG 78 -6.813 -4.231 -11.894 602 2HD ARG 78 1HD ARG 78 -7.532 -5.807 -12.151 603 HE ARG 78 HE ARG 78 -9.620 -4.999 -11.274 604 1HH1 ARG 78 2HH1 ARG 78 -7.111 -2.487 -11.508 605 2HH1 ARG 78 HH22 ARG 78 -8.252 -1.167 -11.384 606 1HH2 ARG 78 1HH1 ARG 78 -11.073 -3.293 -11.116 607 2HH2 ARG 78 2HH1 ARG 78 -10.519 -1.634 -11.160 608 H SER 79 H SER 79 -8.527 -5.855 -7.479 609 HA SER 79 HA SER 79 -10.782 -5.047 -8.880 610 1HB SER 79 2HB SER 79 -10.277 -7.139 -7.321 611 2HB SER 79 1HB SER 79 -11.247 -6.202 -6.202 612 HG SER 79 HG SER 79 -12.518 -7.634 -7.478 613 H TYR 80 H TYR 80 -10.166 -4.461 -5.430 614 HA TYR 80 HA TYR 80 -11.931 -2.058 -5.619 615 1HB TYR 80 2HB TYR 80 -12.149 -2.530 -3.125 616 2HB TYR 80 1HB TYR 80 -12.917 -3.677 -4.204 617 HD1 TYR 80 HD1 TYR 80 -9.965 -3.123 -2.044 618 HD2 TYR 80 HD2 TYR 80 -12.290 -5.965 -4.220 619 HE1 TYR 80 HE1 TYR 80 -8.685 -5.018 -0.949 620 HE2 TYR 80 HE2 TYR 80 -11.001 -7.851 -3.118 621 HH TYR 80 HH TYR 80 -9.438 -8.361 -1.724 622 H LEU 81 H LEU 81 -10.072 -0.809 -6.292 623 HA LEU 81 HA LEU 81 -8.775 0.415 -4.062 624 1HB LEU 81 2HB LEU 81 -7.050 -0.931 -3.843 625 2HB LEU 81 1HB LEU 81 -7.393 -1.750 -5.354 626 HG LEU 81 HG LEU 81 -6.336 0.423 -6.359 627 1HD1 LEU 81 1HD1 LEU 81 -6.039 1.605 -4.257 628 2HD1 LEU 81 2HD1 LEU 81 -5.024 0.257 -3.636 629 3HD1 LEU 81 3HD1 LEU 81 -4.446 1.256 -5.015 630 1HD2 LEU 81 1HD2 LEU 81 -4.721 -1.860 -5.202 631 2HD2 LEU 81 2HD2 LEU 81 -5.547 -1.832 -6.799 632 3HD2 LEU 81 3HD2 LEU 81 -4.162 -0.729 -6.483 633 H ALA 82 H ALA 82 -7.024 1.997 -4.909 634 HA ALA 82 HA ALA 82 -8.372 3.573 -6.928 635 1HB ALA 82 1HB ALA 82 -7.351 4.643 -4.974 636 2HB ALA 82 2HB ALA 82 -5.743 4.014 -5.475 637 3HB ALA 82 3HB ALA 82 -6.590 5.230 -6.493 638 H ASP 83 H ASP 83 -6.928 4.647 -8.643 639 HA ASP 83 HA ASP 83 -6.248 2.690 -10.552 640 1HB ASP 83 2HB ASP 83 -5.893 5.588 -10.273 641 2HB ASP 83 1HB ASP 83 -4.730 4.798 -11.319 Start of MODEL 15 1 H GLU 7 H1 GLU 7 7.518 -5.370 16.094 2 HA GLU 7 HA GLU 7 8.588 -4.643 14.156 3 1HB GLU 7 2HB GLU 7 10.975 -5.314 13.819 4 2HB GLU 7 1HB GLU 7 10.724 -4.015 14.969 5 1HG GLU 7 2HG GLU 7 10.670 -6.688 16.163 6 2HG GLU 7 1HG GLU 7 12.212 -6.258 15.449 7 H LYS 8 H LYS 8 7.524 -7.082 15.779 8 HA LYS 8 HA LYS 8 8.421 -9.263 14.068 9 1HB LYS 8 2HB LYS 8 6.697 -9.061 16.471 10 2HB LYS 8 1HB LYS 8 6.565 -10.475 15.445 11 1HG LYS 8 2HG LYS 8 8.283 -11.288 16.647 12 2HG LYS 8 1HG LYS 8 9.278 -10.198 15.703 13 1HD LYS 8 2HD LYS 8 8.630 -8.453 17.526 14 2HD LYS 8 1HD LYS 8 8.245 -9.866 18.487 15 1HE LYS 8 2HE LYS 8 10.664 -10.601 17.591 16 2HE LYS 8 1HE LYS 8 10.875 -8.861 17.577 17 1HZ LYS 8 1HZ LYS 8 10.198 -8.810 19.864 18 2HZ LYS 8 2HZ LYS 8 9.999 -10.453 19.877 19 3HZ LYS 8 3HZ LYS 8 11.508 -9.804 19.673 20 H GLU 9 H GLU 9 6.150 -6.809 13.982 21 HA GLU 9 HA GLU 9 4.012 -8.076 12.628 22 1HB GLU 9 2HB GLU 9 4.913 -5.299 13.003 23 2HB GLU 9 1HB GLU 9 3.857 -5.599 11.638 24 1HG GLU 9 2HG GLU 9 3.091 -6.794 14.242 25 2HG GLU 9 1HG GLU 9 2.905 -5.061 14.066 26 H GLU 10 H GLU 10 7.082 -6.823 11.559 27 HA GLU 10 HA GLU 10 6.530 -6.861 8.770 28 1HB GLU 10 2HB GLU 10 8.415 -5.628 9.543 29 2HB GLU 10 1HB GLU 10 9.120 -7.057 10.271 30 1HG GLU 10 2HG GLU 10 9.831 -7.899 8.259 31 2HG GLU 10 1HG GLU 10 8.529 -7.143 7.363 32 H LYS 11 H LYS 11 7.478 -9.293 11.061 33 HA LYS 11 HA LYS 11 8.228 -11.257 9.123 34 1HB LYS 11 2HB LYS 11 7.376 -11.615 11.977 35 2HB LYS 11 1HB LYS 11 8.131 -12.841 10.979 36 1HG LYS 11 2HG LYS 11 9.492 -10.209 11.275 37 2HG LYS 11 1HG LYS 11 9.574 -11.348 12.603 38 1HD LYS 11 2HD LYS 11 11.290 -12.308 11.531 39 2HD LYS 11 1HD LYS 11 10.123 -12.885 10.358 40 1HE LYS 11 2HE LYS 11 10.514 -11.022 8.924 41 2HE LYS 11 1HE LYS 11 11.431 -10.182 10.158 42 1HZ LYS 11 1HZ LYS 11 13.090 -11.891 10.019 43 2HZ LYS 11 2HZ LYS 11 12.222 -12.685 8.853 44 3HZ LYS 11 3HZ LYS 11 12.860 -11.189 8.537 45 H ASP 12 H ASP 12 5.246 -10.295 10.639 46 HA ASP 12 HA ASP 12 3.627 -12.483 9.872 47 1HB ASP 12 2HB ASP 12 3.161 -10.236 11.249 48 2HB ASP 12 1HB ASP 12 2.464 -9.777 9.709 49 H PHE 13 H PHE 13 4.637 -9.556 8.204 50 HA PHE 13 HA PHE 13 3.031 -10.128 5.833 51 1HB PHE 13 2HB PHE 13 3.304 -7.882 6.000 52 2HB PHE 13 1HB PHE 13 4.812 -8.035 6.878 53 HD1 PHE 13 HD1 PHE 13 6.923 -8.382 5.642 54 HD2 PHE 13 HD2 PHE 13 3.278 -7.551 3.655 55 HE1 PHE 13 HE1 PHE 13 8.191 -7.764 3.573 56 HE2 PHE 13 HE2 PHE 13 4.546 -6.936 1.585 57 HZ PHE 13 HZ PHE 13 6.987 -7.049 1.569 58 H ARG 14 H ARG 14 6.485 -9.987 6.656 59 HA ARG 14 HA ARG 14 7.471 -10.846 4.159 60 1HB ARG 14 2HB ARG 14 9.122 -10.001 5.538 61 2HB ARG 14 1HB ARG 14 8.556 -10.898 6.933 62 1HG ARG 14 2HG ARG 14 9.724 -12.764 6.374 63 2HG ARG 14 1HG ARG 14 9.485 -12.524 4.655 64 1HD ARG 14 2HD ARG 14 11.850 -12.265 5.256 65 2HD ARG 14 1HD ARG 14 11.189 -10.756 4.662 66 HE ARG 14 HE ARG 14 11.881 -11.382 7.483 67 1HH1 ARG 14 2HH1 ARG 14 10.743 -9.032 5.066 68 2HH1 ARG 14 HH22 ARG 14 10.969 -7.656 6.122 69 1HH2 ARG 14 1HH1 ARG 14 12.166 -9.605 8.828 70 2HH2 ARG 14 2HH1 ARG 14 11.784 -7.990 8.275 71 H LYS 15 H LYS 15 6.286 -12.606 6.941 72 HA LYS 15 HA LYS 15 7.177 -15.166 6.314 73 1HB LYS 15 2HB LYS 15 5.236 -15.984 7.597 74 2HB LYS 15 1HB LYS 15 6.120 -14.709 8.411 75 1HG LYS 15 2HG LYS 15 4.059 -13.809 8.684 76 2HG LYS 15 1HG LYS 15 4.307 -13.244 7.044 77 1HD LYS 15 2HD LYS 15 2.246 -14.253 6.832 78 2HD LYS 15 1HD LYS 15 3.299 -15.592 6.420 79 1HE LYS 15 2HE LYS 15 2.951 -15.518 9.258 80 2HE LYS 15 1HE LYS 15 1.378 -15.477 8.488 81 1HZ LYS 15 1HZ LYS 15 2.000 -17.403 7.225 82 2HZ LYS 15 2HZ LYS 15 3.487 -17.442 7.952 83 3HZ LYS 15 3HZ LYS 15 2.120 -17.714 8.847 84 H LYS 16 H LYS 16 4.079 -13.703 5.396 85 HA LYS 16 HA LYS 16 3.664 -15.802 3.420 86 1HB LYS 16 2HB LYS 16 1.878 -14.672 4.897 87 2HB LYS 16 1HB LYS 16 1.913 -13.409 3.683 88 1HG LYS 16 2HG LYS 16 0.195 -14.899 3.013 89 2HG LYS 16 1HG LYS 16 1.554 -15.237 1.961 90 1HD LYS 16 2HD LYS 16 1.993 -16.920 4.097 91 2HD LYS 16 1HD LYS 16 0.251 -16.957 3.920 92 1HE LYS 16 2HE LYS 16 0.473 -18.354 2.189 93 2HE LYS 16 1HE LYS 16 1.360 -17.117 1.320 94 1HZ LYS 16 1HZ LYS 16 3.360 -17.882 2.371 95 2HZ LYS 16 2HZ LYS 16 2.521 -19.051 3.192 96 3HZ LYS 16 3HZ LYS 16 2.635 -19.118 1.541 97 H PHE 17 H PHE 17 4.667 -12.480 3.580 98 HA PHE 17 HA PHE 17 4.686 -12.171 0.663 99 1HB PHE 17 2HB PHE 17 5.481 -10.491 3.023 100 2HB PHE 17 1HB PHE 17 5.761 -9.972 1.374 101 HD1 PHE 17 HD1 PHE 17 4.242 -8.452 0.592 102 HD2 PHE 17 HD2 PHE 17 2.929 -11.433 3.295 103 HE1 PHE 17 HE1 PHE 17 1.920 -7.519 0.492 104 HE2 PHE 17 HE2 PHE 17 0.607 -10.502 3.195 105 HZ PHE 17 HZ PHE 17 0.130 -8.556 1.795 106 H LYS 18 H LYS 18 6.324 -14.264 1.958 107 HA LYS 18 HA LYS 18 8.952 -13.805 2.331 108 1HB LYS 18 2HB LYS 18 7.456 -16.011 1.621 109 2HB LYS 18 1HB LYS 18 8.705 -15.925 0.395 110 1HG LYS 18 2HG LYS 18 9.335 -15.706 3.324 111 2HG LYS 18 1HG LYS 18 9.253 -17.253 2.506 112 1HD LYS 18 2HD LYS 18 11.422 -16.926 2.016 113 2HD LYS 18 1HD LYS 18 10.849 -15.771 0.830 114 1HE LYS 18 2HE LYS 18 11.442 -13.964 2.102 115 2HE LYS 18 1HE LYS 18 11.150 -14.800 3.614 116 1HZ LYS 18 1HZ LYS 18 13.159 -16.037 3.263 117 2HZ LYS 18 2HZ LYS 18 13.435 -15.248 1.834 118 3HZ LYS 18 3HZ LYS 18 13.476 -14.412 3.263 119 H TYR 19 H TYR 19 7.402 -12.220 0.113 120 HA TYR 19 HA TYR 19 8.972 -12.371 -2.255 121 1HB TYR 19 2HB TYR 19 7.064 -11.178 -2.587 122 2HB TYR 19 1HB TYR 19 7.046 -10.575 -0.942 123 HD1 TYR 19 HD1 TYR 19 7.112 -8.277 -0.787 124 HD2 TYR 19 HD2 TYR 19 9.281 -10.202 -3.919 125 HE1 TYR 19 HE1 TYR 19 7.934 -6.024 -1.613 126 HE2 TYR 19 HE2 TYR 19 10.096 -7.942 -4.734 127 HH TYR 19 HH TYR 19 10.048 -5.812 -4.410 128 H ASP 20 H ASP 20 11.027 -11.890 -2.565 129 HA ASP 20 HA ASP 20 12.380 -10.085 -0.645 130 1HB ASP 20 2HB ASP 20 13.304 -12.160 -2.574 131 2HB ASP 20 1HB ASP 20 14.405 -10.896 -2.066 132 H GLY 21 H GLY 21 11.862 -8.061 -1.294 133 1HA GLY 21 2HA GLY 21 13.058 -7.203 -3.843 134 2HA GLY 21 1HA GLY 21 11.347 -6.894 -3.627 135 H GLU 22 H GLU 22 12.233 -4.662 -3.983 136 HA GLU 22 HA GLU 22 13.325 -3.536 -1.476 137 1HB GLU 22 2HB GLU 22 14.583 -3.013 -3.501 138 2HB GLU 22 1HB GLU 22 13.151 -2.287 -4.203 139 1HG GLU 22 2HG GLU 22 13.231 -0.905 -1.918 140 2HG GLU 22 1HG GLU 22 14.939 -1.262 -2.074 141 H ILE 23 H ILE 23 11.558 -3.458 -0.192 142 HA ILE 23 HA ILE 23 9.060 -2.393 -1.089 143 HB ILE 23 HB ILE 23 10.059 -3.638 1.218 144 1HG1 ILE 23 2HG1 ILE 23 7.196 -2.929 0.877 145 2HG1 ILE 23 1HG1 ILE 23 7.968 -4.004 -0.272 146 1HG2 ILE 23 1HG2 ILE 23 10.252 -1.456 2.268 147 2HG2 ILE 23 2HG2 ILE 23 8.548 -1.088 1.828 148 3HG2 ILE 23 3HG2 ILE 23 8.909 -2.395 3.008 149 1HD1 ILE 23 1HG1 ILE 23 8.662 -5.506 1.565 150 2HD1 ILE 23 2HG1 ILE 23 7.871 -4.404 2.744 151 3HD1 ILE 23 3HG1 ILE 23 6.878 -5.288 1.534 152 H ARG 24 H ARG 24 8.839 -0.444 -1.830 153 HA ARG 24 HA ARG 24 9.567 1.798 -0.108 154 1HB ARG 24 2HB ARG 24 11.600 1.309 -1.550 155 2HB ARG 24 1HB ARG 24 10.619 1.799 -2.917 156 1HG ARG 24 2HG ARG 24 10.586 3.667 -0.652 157 2HG ARG 24 1HG ARG 24 12.143 3.498 -1.437 158 1HD ARG 24 2HD ARG 24 11.403 4.414 -3.406 159 2HD ARG 24 1HD ARG 24 9.763 3.838 -3.181 160 HE ARG 24 HE ARG 24 9.232 5.825 -2.097 161 1HH1 ARG 24 2HH1 ARG 24 12.768 5.439 -2.162 162 2HH1 ARG 24 HH22 ARG 24 13.074 7.028 -1.496 163 1HH2 ARG 24 1HH1 ARG 24 9.638 7.862 -1.242 164 2HH2 ARG 24 2HH1 ARG 24 11.277 8.411 -0.971 165 H VAL 25 H VAL 25 7.806 2.949 -0.016 166 HA VAL 25 HA VAL 25 5.736 2.761 -1.970 167 HB VAL 25 HB VAL 25 6.144 4.796 0.184 168 1HG1 VAL 25 1HG1 VAL 25 4.540 5.585 -1.477 169 2HG1 VAL 25 2HG1 VAL 25 3.638 4.035 -1.341 170 3HG1 VAL 25 3HG1 VAL 25 3.709 5.160 0.059 171 1HG2 VAL 25 1HG2 VAL 25 4.605 2.186 0.224 172 2HG2 VAL 25 2HG2 VAL 25 6.134 2.536 1.102 173 3HG2 VAL 25 3HG2 VAL 25 4.625 3.409 1.542 174 H LEU 26 H LEU 26 6.239 3.269 -3.985 175 HA LEU 26 HA LEU 26 7.665 5.782 -4.490 176 1HB LEU 26 2HB LEU 26 8.052 3.478 -5.628 177 2HB LEU 26 1HB LEU 26 6.734 4.001 -6.658 178 HG LEU 26 HG LEU 26 9.502 4.969 -6.481 179 1HD1 LEU 26 1HD1 LEU 26 8.852 3.507 -8.309 180 2HD1 LEU 26 2HD1 LEU 26 7.545 4.653 -8.768 181 3HD1 LEU 26 3HD1 LEU 26 9.267 5.143 -8.927 182 1HD2 LEU 26 1HD2 LEU 26 7.205 6.788 -7.238 183 2HD2 LEU 26 2HD2 LEU 26 8.300 6.975 -5.824 184 3HD2 LEU 26 3HD2 LEU 26 8.949 7.146 -7.492 185 H TYR 27 H TYR 27 4.615 4.201 -5.316 186 HA TYR 27 HA TYR 27 3.450 6.911 -5.786 187 1HB TYR 27 2HB TYR 27 2.164 5.917 -7.563 188 2HB TYR 27 1HB TYR 27 3.851 5.527 -7.826 189 HD1 TYR 27 HD1 TYR 27 0.540 4.221 -7.382 190 HD2 TYR 27 HD2 TYR 27 4.684 3.225 -7.167 191 HE1 TYR 27 HE1 TYR 27 -0.040 1.754 -7.497 192 HE2 TYR 27 HE2 TYR 27 4.090 0.761 -7.286 193 HH TYR 27 HH TYR 27 2.494 -0.678 -7.427 194 H SER 28 H SER 28 2.720 6.963 -3.613 195 HA SER 28 HA SER 28 1.070 4.863 -2.547 196 1HB SER 28 2HB SER 28 0.541 6.471 -0.768 197 2HB SER 28 1HB SER 28 2.265 6.329 -1.047 198 HG SER 28 HG SER 28 1.590 8.518 -0.835 199 H THR 29 H THR 29 -0.791 4.319 -3.374 200 HA THR 29 HA THR 29 -2.431 6.312 -4.738 201 HB THR 29 HB THR 29 -1.991 3.849 -5.460 202 HG1 THR 29 HG1 THR 29 -4.153 3.979 -6.345 203 1HG2 THR 29 1HG2 THR 29 -2.829 2.822 -3.276 204 2HG2 THR 29 2HG2 THR 29 -4.432 3.552 -3.634 205 3HG2 THR 29 3HG2 THR 29 -3.756 2.289 -4.721 206 H LYS 30 H LYS 30 -4.706 6.574 -4.296 207 HA LYS 30 HA LYS 30 -5.145 6.618 -1.375 208 1HB LYS 30 2HB LYS 30 -5.203 8.775 -2.592 209 2HB LYS 30 1HB LYS 30 -6.608 8.195 -3.464 210 1HG LYS 30 2HG LYS 30 -6.787 7.932 -0.546 211 2HG LYS 30 1HG LYS 30 -6.717 9.584 -1.127 212 1HD LYS 30 2HD LYS 30 -8.638 9.241 -2.529 213 2HD LYS 30 1HD LYS 30 -8.639 7.522 -2.189 214 1HE LYS 30 2HE LYS 30 -10.262 8.206 -0.713 215 2HE LYS 30 1HE LYS 30 -8.849 8.374 0.310 216 1HZ LYS 30 1HZ LYS 30 -8.754 10.682 -0.284 217 2HZ LYS 30 2HZ LYS 30 -10.089 10.522 -1.250 218 3HZ LYS 30 3HZ LYS 30 -10.224 10.319 0.387 219 H VAL 31 H VAL 31 -6.725 5.562 -0.403 220 HA VAL 31 HA VAL 31 -8.010 3.459 -1.889 221 HB VAL 31 HB VAL 31 -8.841 4.186 0.852 222 1HG1 VAL 31 1HG1 VAL 31 -9.867 2.243 -0.204 223 2HG1 VAL 31 2HG1 VAL 31 -8.237 1.547 -0.508 224 3HG1 VAL 31 3HG1 VAL 31 -8.830 1.743 1.177 225 1HG2 VAL 31 1HG2 VAL 31 -6.152 2.967 0.171 226 2HG2 VAL 31 2HG2 VAL 31 -6.435 4.580 0.914 227 3HG2 VAL 31 3HG2 VAL 31 -6.859 3.086 1.820 228 H THR 32 H THR 32 -9.754 3.563 -3.049 229 HA THR 32 HA THR 32 -11.383 5.948 -3.021 230 HB THR 32 HB THR 32 -10.763 4.560 -5.068 231 HG1 THR 32 HG1 THR 32 -12.921 5.001 -5.857 232 1HG2 THR 32 1HG2 THR 32 -11.462 2.304 -4.096 233 2HG2 THR 32 2HG2 THR 32 -13.148 2.929 -4.053 234 3HG2 THR 32 3HG2 THR 32 -12.307 2.717 -5.628 235 H THR 33 H THR 33 -13.878 5.485 -3.232 236 HA THR 33 HA THR 33 -14.641 4.567 -0.583 237 HB THR 33 HB THR 33 -15.530 6.646 -1.818 238 HG1 THR 33 HG1 THR 33 -17.568 6.167 -0.772 239 1HG2 THR 33 1HG2 THR 33 -16.207 5.405 -3.947 240 2HG2 THR 33 2HG2 THR 33 -17.379 4.480 -2.946 241 3HG2 THR 33 3HG2 THR 33 -17.574 6.256 -3.147 242 H SER 34 H SER 34 -14.344 3.229 -3.662 243 HA SER 34 HA SER 34 -16.323 1.115 -3.112 244 1HB SER 34 2HB SER 34 -16.497 1.863 -5.329 245 2HB SER 34 1HB SER 34 -14.759 1.865 -5.549 246 HG SER 34 HG SER 34 -15.767 0.061 -6.561 247 H ILE 35 H ILE 35 -13.529 1.677 -1.902 248 HA ILE 35 HA ILE 35 -11.988 -0.632 -2.622 249 HB ILE 35 HB ILE 35 -11.529 1.688 -1.243 250 1HG1 ILE 35 2HG1 ILE 35 -10.089 -0.149 -2.617 251 2HG1 ILE 35 1HG1 ILE 35 -9.421 1.260 -1.817 252 1HG2 ILE 35 1HG2 ILE 35 -12.336 0.734 0.839 253 2HG2 ILE 35 2HG2 ILE 35 -11.205 -0.651 0.649 254 3HG2 ILE 35 3HG2 ILE 35 -10.561 1.007 0.917 255 1HD1 ILE 35 1HG1 ILE 35 -9.003 -0.070 0.225 256 2HD1 ILE 35 2HG1 ILE 35 -9.688 -1.516 -0.596 257 3HD1 ILE 35 3HG1 ILE 35 -8.165 -0.776 -1.201 258 H THR 36 H THR 36 -11.267 -2.189 -0.851 259 HA THR 36 HA THR 36 -13.603 -3.678 -0.106 260 HB THR 36 HB THR 36 -11.645 -4.908 -0.738 261 HG1 THR 36 HG1 THR 36 -11.401 -6.061 1.284 262 1HG2 THR 36 1HG2 THR 36 -9.924 -3.144 -0.065 263 2HG2 THR 36 2HG2 THR 36 -10.259 -3.577 1.647 264 3HG2 THR 36 3HG2 THR 36 -9.535 -4.793 0.538 265 H SER 37 H SER 37 -14.895 -3.314 1.504 266 HA SER 37 HA SER 37 -13.730 -2.140 3.972 267 1HB SER 37 2HB SER 37 -15.229 -0.513 3.874 268 2HB SER 37 1HB SER 37 -15.847 -1.168 2.371 269 HG SER 37 HG SER 37 -17.471 -1.016 3.994 270 H LYS 38 H LYS 38 -15.714 -4.553 2.503 271 HA LYS 38 HA LYS 38 -16.332 -5.664 5.172 272 1HB LYS 38 2HB LYS 38 -18.248 -6.584 4.353 273 2HB LYS 38 1HB LYS 38 -18.124 -5.162 3.337 274 1HG LYS 38 2HG LYS 38 -17.151 -6.461 1.548 275 2HG LYS 38 1HG LYS 38 -17.083 -7.883 2.569 276 1HD LYS 38 2HD LYS 38 -19.057 -8.407 1.611 277 2HD LYS 38 1HD LYS 38 -19.723 -7.233 2.729 278 1HE LYS 38 2HE LYS 38 -19.062 -5.543 0.805 279 2HE LYS 38 1HE LYS 38 -19.201 -6.979 -0.189 280 1HZ LYS 38 1HZ LYS 38 -21.410 -7.292 0.657 281 2HZ LYS 38 2HZ LYS 38 -21.278 -5.935 1.596 282 3HZ LYS 38 3HZ LYS 38 -21.270 -5.803 -0.054 283 H LYS 39 H LYS 39 -15.177 -6.545 1.953 284 HA LYS 39 HA LYS 39 -14.346 -9.161 2.750 285 1HB LYS 39 2HB LYS 39 -14.659 -7.861 0.356 286 2HB LYS 39 1HB LYS 39 -12.926 -8.092 0.467 287 1HG LYS 39 2HG LYS 39 -13.721 -10.045 -0.583 288 2HG LYS 39 1HG LYS 39 -13.456 -10.515 1.084 289 1HD LYS 39 2HD LYS 39 -15.562 -11.407 0.619 290 2HD LYS 39 1HD LYS 39 -15.945 -9.896 1.418 291 1HE LYS 39 2HE LYS 39 -17.361 -9.983 -0.480 292 2HE LYS 39 1HE LYS 39 -16.079 -8.867 -0.905 293 1HZ LYS 39 1HZ LYS 39 -14.981 -10.643 -2.060 294 2HZ LYS 39 2HZ LYS 39 -16.192 -11.698 -1.657 295 3HZ LYS 39 3HZ LYS 39 -16.507 -10.420 -2.663 296 H TRP 40 H TRP 40 -12.684 -9.825 3.845 297 HA TRP 40 HA TRP 40 -10.238 -8.203 3.868 298 1HB TRP 40 2HB TRP 40 -11.765 -8.891 6.352 299 2HB TRP 40 1HB TRP 40 -10.097 -8.353 6.344 300 HD1 TRP 40 HD1 TRP 40 -13.024 -6.831 7.372 301 HE1 TRP 40 HE1 TRP 40 -9.472 -6.656 3.755 302 HE3 TRP 40 HE3 TRP 40 -13.250 -4.312 6.815 303 HZ2 TRP 40 HZ2 TRP 40 -9.046 -4.467 2.650 304 HZ3 TRP 40 HZ3 TRP 40 -12.020 -2.488 5.021 305 HH2 TRP 40 HH2 TRP 40 -10.255 -2.429 3.230 306 H GLY 41 H GLY 41 -8.494 -9.407 3.743 307 1HA GLY 41 2HA GLY 41 -8.827 -12.321 4.269 308 2HA GLY 41 1HA GLY 41 -7.853 -11.678 2.963 309 H THR 42 H THR 42 -6.916 -13.482 4.893 310 HA THR 42 HA THR 42 -5.590 -12.308 7.069 311 HB THR 42 HB THR 42 -5.891 -14.757 6.707 312 HG1 THR 42 HG1 THR 42 -3.718 -15.137 7.486 313 1HG2 THR 42 1HG2 THR 42 -5.141 -14.808 4.265 314 2HG2 THR 42 2HG2 THR 42 -3.489 -14.392 4.841 315 3HG2 THR 42 3HG2 THR 42 -4.240 -15.955 5.316 316 H ARG 43 H ARG 43 -4.733 -12.510 3.688 317 HA ARG 43 HA ARG 43 -2.163 -11.162 4.223 318 1HB ARG 43 2HB ARG 43 -3.212 -12.845 2.084 319 2HB ARG 43 1HB ARG 43 -2.332 -11.444 1.507 320 1HG ARG 43 2HG ARG 43 -0.521 -12.128 3.199 321 2HG ARG 43 1HG ARG 43 -1.351 -13.669 3.263 322 1HD ARG 43 2HD ARG 43 -0.501 -12.454 0.652 323 2HD ARG 43 1HD ARG 43 0.589 -13.448 1.597 324 HE ARG 43 HE ARG 43 -0.739 -15.357 1.151 325 1HH1 ARG 43 2HH1 ARG 43 -2.201 -12.407 -0.196 326 2HH1 ARG 43 HH22 ARG 43 -3.342 -13.283 -1.192 327 1HH2 ARG 43 1HH1 ARG 43 -2.209 -16.470 -0.132 328 2HH2 ARG 43 2HH1 ARG 43 -3.342 -15.610 -1.151 329 H ASP 44 H ASP 44 -5.184 -10.205 4.069 330 HA ASP 44 HA ASP 44 -4.686 -7.882 2.286 331 1HB ASP 44 2HB ASP 44 -6.923 -9.507 2.637 332 2HB ASP 44 1HB ASP 44 -7.313 -8.009 3.458 333 H LEU 45 H LEU 45 -5.471 -5.789 3.036 334 HA LEU 45 HA LEU 45 -4.827 -5.469 5.894 335 1HB LEU 45 2HB LEU 45 -3.843 -4.170 3.762 336 2HB LEU 45 1HB LEU 45 -5.125 -3.080 4.250 337 HG LEU 45 HG LEU 45 -4.142 -2.974 6.483 338 1HD1 LEU 45 1HD1 LEU 45 -3.023 -5.129 6.564 339 2HD1 LEU 45 2HD1 LEU 45 -1.890 -4.595 5.275 340 3HD1 LEU 45 3HD1 LEU 45 -1.857 -3.800 6.887 341 1HD2 LEU 45 1HD2 LEU 45 -2.276 -2.192 4.232 342 2HD2 LEU 45 2HD2 LEU 45 -3.651 -1.225 4.870 343 3HD2 LEU 45 3HD2 LEU 45 -2.219 -1.546 5.908 344 H GLN 46 H GLN 46 -6.057 -4.089 7.239 345 HA GLN 46 HA GLN 46 -8.915 -4.391 6.668 346 1HB GLN 46 2HB GLN 46 -8.263 -5.092 8.846 347 2HB GLN 46 1HB GLN 46 -7.437 -3.576 9.147 348 1HG GLN 46 2HG GLN 46 -9.386 -2.431 9.531 349 2HG GLN 46 1HG GLN 46 -10.323 -3.456 8.462 350 1HE2 GLN 46 1HE2 GLN 46 -10.631 -5.717 9.145 351 2HE2 GLN 46 2HE2 GLN 46 -10.938 -6.037 10.837 352 H VAL 47 H VAL 47 -7.329 -2.523 5.144 353 HA VAL 47 HA VAL 47 -7.787 0.130 6.053 354 HB VAL 47 HB VAL 47 -7.235 0.808 3.825 355 1HG1 VAL 47 1HG1 VAL 47 -5.383 0.111 5.251 356 2HG1 VAL 47 2HG1 VAL 47 -5.586 -1.584 4.687 357 3HG1 VAL 47 3HG1 VAL 47 -5.058 -0.309 3.534 358 1HG2 VAL 47 1HG2 VAL 47 -7.554 -2.104 3.051 359 2HG2 VAL 47 2HG2 VAL 47 -8.623 -0.746 2.557 360 3HG2 VAL 47 3HG2 VAL 47 -6.919 -0.802 1.986 361 H LYS 48 H LYS 48 -9.231 1.713 5.117 362 HA LYS 48 HA LYS 48 -11.855 0.475 4.515 363 1HB LYS 48 2HB LYS 48 -11.229 2.922 6.121 364 2HB LYS 48 1HB LYS 48 -12.840 2.540 5.548 365 1HG LYS 48 2HG LYS 48 -13.025 1.433 7.511 366 2HG LYS 48 1HG LYS 48 -12.122 0.179 6.685 367 1HD LYS 48 2HD LYS 48 -10.116 0.767 7.718 368 2HD LYS 48 1HD LYS 48 -10.679 2.380 8.108 369 1HE LYS 48 2HE LYS 48 -12.048 1.586 9.870 370 2HE LYS 48 1HE LYS 48 -11.905 -0.075 9.333 371 1HZ LYS 48 1HZ LYS 48 -9.588 -0.008 9.897 372 2HZ LYS 48 2HZ LYS 48 -9.723 1.562 10.405 373 3HZ LYS 48 3HZ LYS 48 -10.514 0.358 11.220 374 HA PRO 49 HA PRO 49 -11.902 2.625 0.790 375 1HB PRO 49 2HB PRO 49 -14.609 2.968 0.404 376 2HB PRO 49 1HB PRO 49 -13.725 1.492 0.073 377 1HG PRO 49 2HG PRO 49 -15.568 2.089 2.266 378 2HG PRO 49 1HG PRO 49 -15.015 0.533 1.679 379 1HD PRO 49 2HD PRO 49 -14.147 1.894 4.018 380 2HD PRO 49 1HD PRO 49 -13.514 0.395 3.369 381 H GLY 50 H GLY 50 -11.391 4.623 0.295 382 1HA GLY 50 2HA GLY 50 -11.944 6.945 0.060 383 2HA GLY 50 1HA GLY 50 -12.968 6.835 1.477 384 H GLU 51 H GLU 51 -10.083 5.153 1.849 385 HA GLU 51 HA GLU 51 -8.978 7.380 3.459 386 1HB GLU 51 2HB GLU 51 -9.210 4.518 3.926 387 2HB GLU 51 1HB GLU 51 -7.614 5.157 4.262 388 1HG GLU 51 2HG GLU 51 -8.736 5.420 6.296 389 2HG GLU 51 1HG GLU 51 -8.858 7.006 5.561 390 H SER 52 H SER 52 -6.538 7.197 3.758 391 HA SER 52 HA SER 52 -5.361 6.813 1.058 392 1HB SER 52 2HB SER 52 -4.141 8.707 1.272 393 2HB SER 52 1HB SER 52 -5.477 9.154 2.313 394 HG SER 52 HG SER 52 -3.434 9.532 3.299 395 H LEU 53 H LEU 53 -3.747 5.460 0.788 396 HA LEU 53 HA LEU 53 -2.201 4.621 3.141 397 1HB LEU 53 2HB LEU 53 -2.896 2.535 3.240 398 2HB LEU 53 1HB LEU 53 -4.275 3.093 2.316 399 HG LEU 53 HG LEU 53 -1.904 1.559 1.408 400 1HD1 LEU 53 1HD1 LEU 53 -3.813 0.268 2.179 401 2HD1 LEU 53 2HD1 LEU 53 -4.882 1.161 1.043 402 3HD1 LEU 53 3HD1 LEU 53 -3.597 0.078 0.404 403 1HD2 LEU 53 1HD2 LEU 53 -3.788 3.102 -0.388 404 2HD2 LEU 53 2HD2 LEU 53 -2.035 3.421 -0.147 405 3HD2 LEU 53 3HD2 LEU 53 -2.571 1.898 -0.939 406 H GLU 54 H GLU 54 -0.214 3.555 2.637 407 HA GLU 54 HA GLU 54 0.974 4.758 0.273 408 1HB GLU 54 2HB GLU 54 1.939 3.613 2.758 409 2HB GLU 54 1HB GLU 54 2.913 3.166 1.372 410 1HG GLU 54 2HG GLU 54 3.931 5.150 1.828 411 2HG GLU 54 1HG GLU 54 2.611 5.784 0.865 412 H VAL 55 H VAL 55 1.569 3.848 -1.568 413 HA VAL 55 HA VAL 55 0.841 0.995 -1.890 414 HB VAL 55 HB VAL 55 0.733 3.345 -3.662 415 1HG1 VAL 55 1HG1 VAL 55 2.251 1.893 -4.900 416 2HG1 VAL 55 2HG1 VAL 55 1.103 0.524 -4.703 417 3HG1 VAL 55 3HG1 VAL 55 0.638 1.951 -5.692 418 1HG2 VAL 55 1HG2 VAL 55 -1.055 0.926 -3.292 419 2HG2 VAL 55 2HG2 VAL 55 -1.304 2.557 -2.576 420 3HG2 VAL 55 3HG2 VAL 55 -1.405 2.332 -4.357 421 H ILE 56 H ILE 56 2.314 -0.479 -2.219 422 HA ILE 56 HA ILE 56 5.089 0.441 -2.517 423 HB ILE 56 HB ILE 56 4.115 -2.318 -1.947 424 1HG1 ILE 56 2HG1 ILE 56 4.703 -0.059 -0.089 425 2HG1 ILE 56 1HG1 ILE 56 3.283 -1.083 -0.158 426 1HG2 ILE 56 1HG2 ILE 56 6.381 -2.272 -2.820 427 2HG2 ILE 56 2HG2 ILE 56 6.835 -1.042 -1.591 428 3HG2 ILE 56 3HG2 ILE 56 6.386 -2.705 -1.075 429 1HD1 ILE 56 1HG1 ILE 56 4.619 -3.025 0.588 430 2HD1 ILE 56 2HG1 ILE 56 6.076 -1.975 0.658 431 3HD1 ILE 56 3HG1 ILE 56 4.699 -1.678 1.776 432 H GLN 57 H GLN 57 5.499 -2.456 -3.548 433 HA GLN 57 HA GLN 57 5.336 -1.647 -6.371 434 1HB GLN 57 2HB GLN 57 6.855 -3.809 -4.964 435 2HB GLN 57 1HB GLN 57 6.744 -3.725 -6.711 436 1HG GLN 57 2HG GLN 57 7.827 -1.557 -4.917 437 2HG GLN 57 1HG GLN 57 8.790 -2.640 -5.901 438 1HE2 GLN 57 1HE2 GLN 57 8.038 -2.754 -8.252 439 2HE2 GLN 57 2HE2 GLN 57 7.770 -1.219 -9.047 440 H THR 58 H THR 58 4.571 -3.047 -8.007 441 HA THR 58 HA THR 58 2.047 -4.200 -7.333 442 HB THR 58 HB THR 58 2.265 -4.961 -9.832 443 HG1 THR 58 HG1 THR 58 4.055 -3.778 -10.765 444 1HG2 THR 58 1HG2 THR 58 1.082 -2.814 -9.111 445 2HG2 THR 58 2HG2 THR 58 2.685 -2.002 -9.164 446 3HG2 THR 58 3HG2 THR 58 1.960 -2.660 -10.672 447 H THR 59 H THR 59 1.582 -6.064 -6.490 448 HA THR 59 HA THR 59 3.481 -8.006 -5.826 449 HB THR 59 HB THR 59 0.495 -7.934 -5.958 450 HG1 THR 59 HG1 THR 59 1.009 -8.252 -3.698 451 1HG2 THR 59 1HG2 THR 59 1.167 -10.324 -6.560 452 2HG2 THR 59 2HG2 THR 59 2.182 -10.333 -5.076 453 3HG2 THR 59 3HG2 THR 59 0.396 -10.182 -4.942 454 H ASP 60 H ASP 60 0.869 -8.647 -8.125 455 HA ASP 60 HA ASP 60 2.763 -10.337 -9.669 456 1HB ASP 60 2HB ASP 60 0.900 -11.626 -9.028 457 2HB ASP 60 1HB ASP 60 -0.218 -10.327 -9.393 458 H ASP 61 H ASP 61 -0.287 -9.149 -10.832 459 HA ASP 61 HA ASP 61 1.161 -7.474 -12.827 460 1HB ASP 61 2HB ASP 61 -1.394 -9.032 -13.110 461 2HB ASP 61 1HB ASP 61 -0.795 -7.894 -14.300 462 H THR 62 H THR 62 -2.038 -7.969 -11.356 463 HA THR 62 HA THR 62 -2.300 -5.016 -11.198 464 HB THR 62 HB THR 62 -4.754 -6.689 -11.307 465 HG1 THR 62 HG1 THR 62 -4.350 -6.848 -13.607 466 1HG2 THR 62 1HG2 THR 62 -4.788 -4.135 -11.379 467 2HG2 THR 62 2HG2 THR 62 -3.818 -4.239 -12.889 468 3HG2 THR 62 3HG2 THR 62 -5.488 -4.903 -12.846 469 H LYS 63 H LYS 63 -1.048 -5.486 -9.184 470 HA LYS 63 HA LYS 63 -2.946 -5.515 -6.996 471 1HB LYS 63 2HB LYS 63 -2.674 -7.867 -7.143 472 2HB LYS 63 1HB LYS 63 -0.932 -7.717 -7.245 473 1HG LYS 63 2HG LYS 63 -0.836 -6.865 -4.974 474 2HG LYS 63 1HG LYS 63 -2.585 -6.889 -4.865 475 1HD LYS 63 2HD LYS 63 -1.416 -9.457 -5.639 476 2HD LYS 63 1HD LYS 63 -0.934 -8.913 -4.044 477 1HE LYS 63 2HE LYS 63 -2.900 -9.621 -3.250 478 2HE LYS 63 1HE LYS 63 -3.701 -8.423 -4.247 479 1HZ LYS 63 1HZ LYS 63 -3.739 -10.005 -6.033 480 2HZ LYS 63 2HZ LYS 63 -2.983 -11.137 -5.091 481 3HZ LYS 63 3HZ LYS 63 -4.507 -10.620 -4.701 482 H VAL 64 H VAL 64 -2.383 -4.154 -5.476 483 HA VAL 64 HA VAL 64 0.447 -3.260 -5.468 484 HB VAL 64 HB VAL 64 -0.341 -1.034 -4.899 485 1HG1 VAL 64 1HG1 VAL 64 0.120 -1.548 -7.238 486 2HG1 VAL 64 2HG1 VAL 64 -1.567 -2.137 -7.441 487 3HG1 VAL 64 3HG1 VAL 64 -1.257 -0.400 -7.098 488 1HG2 VAL 64 1HG2 VAL 64 -3.115 -2.170 -5.338 489 2HG2 VAL 64 2HG2 VAL 64 -2.429 -1.602 -3.776 490 3HG2 VAL 64 3HG2 VAL 64 -2.721 -0.431 -5.109 491 H LEU 65 H LEU 65 1.513 -3.391 -3.646 492 HA LEU 65 HA LEU 65 0.050 -4.380 -1.312 493 1HB LEU 65 2HB LEU 65 1.845 -5.658 -1.275 494 2HB LEU 65 1HB LEU 65 2.750 -4.568 -2.306 495 HG LEU 65 HG LEU 65 3.172 -3.179 -0.282 496 1HD1 LEU 65 1HD1 LEU 65 1.371 -3.973 1.142 497 2HD1 LEU 65 2HD1 LEU 65 2.102 -5.615 1.160 498 3HD1 LEU 65 3HD1 LEU 65 2.963 -4.239 1.932 499 1HD2 LEU 65 1HD2 LEU 65 4.276 -5.996 -0.304 500 2HD2 LEU 65 2HD2 LEU 65 4.902 -4.592 -1.236 501 3HD2 LEU 65 3HD2 LEU 65 5.003 -4.596 0.559 502 H CYS 66 H CYS 66 -0.500 -3.267 0.394 503 HA CYS 66 HA CYS 66 0.201 -0.417 0.415 504 1HB CYS 66 2HB CYS 66 -2.044 -0.503 0.832 505 2HB CYS 66 1HB CYS 66 -1.938 -2.039 1.669 506 HG CYS 66 HG CYS 66 -2.680 -0.043 3.591 507 H ARG 67 H ARG 67 0.962 0.635 2.314 508 HA ARG 67 HA ARG 67 2.356 -1.148 4.219 509 1HB ARG 67 2HB ARG 67 3.762 -0.043 2.198 510 2HB ARG 67 1HB ARG 67 3.868 1.234 3.393 511 1HG ARG 67 2HG ARG 67 4.670 -0.449 5.044 512 2HG ARG 67 1HG ARG 67 4.679 -1.646 3.764 513 1HD ARG 67 2HD ARG 67 6.903 -0.888 3.847 514 2HD ARG 67 1HD ARG 67 6.207 -0.003 2.504 515 HE ARG 67 HE ARG 67 6.456 1.985 3.695 516 1HH1 ARG 67 2HH1 ARG 67 6.794 -0.776 5.913 517 2HH1 ARG 67 HH22 ARG 67 7.294 0.217 7.263 518 1HH2 ARG 67 1HH1 ARG 67 7.099 3.248 5.437 519 2HH2 ARG 67 2HH1 ARG 67 7.467 2.521 6.985 520 H ASN 68 H ASN 68 2.313 -0.503 6.260 521 HA ASN 68 HA ASN 68 1.298 2.249 6.788 522 1HB ASN 68 2HB ASN 68 0.520 1.024 8.997 523 2HB ASN 68 1HB ASN 68 -0.486 1.011 7.562 524 1HD2 ASN 68 1HD2 ASN 68 1.574 -0.778 9.681 525 2HD2 ASN 68 2HD2 ASN 68 1.260 -2.378 9.048 526 H GLU 69 H GLU 69 2.339 3.437 8.273 527 HA GLU 69 HA GLU 69 4.989 2.820 8.941 528 1HB GLU 69 2HB GLU 69 3.294 5.002 9.278 529 2HB GLU 69 1HB GLU 69 3.840 4.586 10.890 530 1HG GLU 69 2HG GLU 69 5.597 5.121 8.499 531 2HG GLU 69 1HG GLU 69 5.376 6.180 9.877 532 H GLU 70 H GLU 70 2.172 1.511 10.137 533 HA GLU 70 HA GLU 70 2.852 1.099 12.859 534 1HB GLU 70 2HB GLU 70 0.657 0.581 11.370 535 2HB GLU 70 1HB GLU 70 1.306 -1.032 11.583 536 1HG GLU 70 2HG GLU 70 -0.226 -0.559 13.391 537 2HG GLU 70 1HG GLU 70 1.404 -0.622 14.030 538 H GLY 71 H GLY 71 4.343 0.041 10.107 539 1HA GLY 71 2HA GLY 71 6.280 -1.279 10.018 540 2HA GLY 71 1HA GLY 71 5.955 -1.867 11.636 541 H LYS 72 H LYS 72 3.213 -1.946 9.710 542 HA LYS 72 HA LYS 72 3.701 -4.791 9.036 543 1HB LYS 72 2HB LYS 72 2.151 -5.169 10.615 544 2HB LYS 72 1HB LYS 72 1.490 -3.550 10.506 545 1HG LYS 72 2HG LYS 72 0.292 -4.130 8.482 546 2HG LYS 72 1HG LYS 72 1.034 -5.716 8.459 547 1HD LYS 72 2HD LYS 72 -0.975 -6.240 9.440 548 2HD LYS 72 1HD LYS 72 -0.034 -5.873 10.871 549 1HE LYS 72 2HE LYS 72 -1.559 -3.698 9.500 550 2HE LYS 72 1HE LYS 72 -2.393 -4.798 10.579 551 1HZ LYS 72 1HZ LYS 72 -0.845 -4.210 12.296 552 2HZ LYS 72 2HZ LYS 72 -0.058 -3.170 11.277 553 3HZ LYS 72 3HZ LYS 72 -1.620 -2.860 11.731 554 H TYR 73 H TYR 73 2.562 -5.630 7.217 555 HA TYR 73 HA TYR 73 1.950 -3.504 5.206 556 1HB TYR 73 2HB TYR 73 3.361 -6.158 4.974 557 2HB TYR 73 1HB TYR 73 2.903 -5.176 3.597 558 HD1 TYR 73 HD1 TYR 73 4.622 -3.980 2.636 559 HD2 TYR 73 HD2 TYR 73 4.677 -4.655 6.850 560 HE1 TYR 73 HE1 TYR 73 6.813 -2.715 2.817 561 HE2 TYR 73 HE2 TYR 73 6.868 -3.388 7.017 562 HH TYR 73 HH TYR 73 8.385 -2.309 5.933 563 H GLY 74 H GLY 74 0.654 -4.323 3.365 564 1HA GLY 74 2HA GLY 74 -1.016 -6.665 3.865 565 2HA GLY 74 1HA GLY 74 -1.854 -5.132 3.988 566 H TYR 75 H TYR 75 -2.438 -7.167 2.121 567 HA TYR 75 HA TYR 75 -1.439 -6.065 -0.453 568 1HB TYR 75 2HB TYR 75 -2.563 -8.631 0.551 569 2HB TYR 75 1HB TYR 75 -2.791 -8.234 -1.140 570 HD1 TYR 75 HD1 TYR 75 -1.071 -10.448 0.455 571 HD2 TYR 75 HD2 TYR 75 -0.197 -6.870 -1.701 572 HE1 TYR 75 HE1 TYR 75 1.253 -11.322 -0.068 573 HE2 TYR 75 HE2 TYR 75 2.123 -7.757 -2.218 574 HH TYR 75 HH TYR 75 3.497 -9.396 -1.962 575 H VAL 76 H VAL 76 -2.879 -5.577 -2.133 576 HA VAL 76 HA VAL 76 -5.731 -5.413 -1.444 577 HB VAL 76 HB VAL 76 -4.397 -3.004 -2.560 578 1HG1 VAL 76 1HG1 VAL 76 -6.824 -3.128 -2.777 579 2HG1 VAL 76 2HG1 VAL 76 -6.967 -3.410 -1.006 580 3HG1 VAL 76 3HG1 VAL 76 -6.353 -1.835 -1.620 581 1HG2 VAL 76 1HG2 VAL 76 -4.769 -3.609 0.385 582 2HG2 VAL 76 2HG2 VAL 76 -3.202 -3.458 -0.483 583 3HG2 VAL 76 3HG2 VAL 76 -4.272 -2.024 -0.302 584 H LEU 77 H LEU 77 -6.938 -6.112 -3.020 585 HA LEU 77 HA LEU 77 -5.690 -6.742 -5.556 586 1HB LEU 77 2HB LEU 77 -7.595 -7.945 -4.140 587 2HB LEU 77 1HB LEU 77 -8.586 -7.043 -5.268 588 HG LEU 77 HG LEU 77 -6.736 -9.291 -5.754 589 1HD1 LEU 77 1HD1 LEU 77 -9.101 -9.779 -5.496 590 2HD1 LEU 77 2HD1 LEU 77 -9.491 -8.603 -6.799 591 3HD1 LEU 77 3HD1 LEU 77 -8.572 -10.099 -7.184 592 1HD2 LEU 77 1HD2 LEU 77 -7.478 -7.241 -7.853 593 2HD2 LEU 77 2HD2 LEU 77 -5.832 -7.567 -7.207 594 3HD2 LEU 77 3HD2 LEU 77 -6.684 -8.823 -8.172 595 H ARG 78 H ARG 78 -5.990 -5.858 -7.514 596 HA ARG 78 HA ARG 78 -6.500 -3.097 -7.649 597 1HB ARG 78 2HB ARG 78 -6.256 -3.271 -9.966 598 2HB ARG 78 1HB ARG 78 -5.299 -4.601 -9.347 599 1HG ARG 78 2HG ARG 78 -6.496 -5.976 -10.639 600 2HG ARG 78 1HG ARG 78 -7.888 -5.621 -9.637 601 1HD ARG 78 2HD ARG 78 -7.057 -4.212 -12.169 602 2HD ARG 78 1HD ARG 78 -8.505 -5.165 -11.911 603 HE ARG 78 HE ARG 78 -9.427 -3.407 -10.563 604 1HH1 ARG 78 2HH1 ARG 78 -6.269 -2.588 -11.979 605 2HH1 ARG 78 HH22 ARG 78 -6.457 -0.870 -11.708 606 1HH2 ARG 78 1HH1 ARG 78 -9.657 -1.198 -10.221 607 2HH2 ARG 78 2HH1 ARG 78 -8.401 -0.079 -10.700 608 H SER 79 H SER 79 -8.622 -5.764 -7.549 609 HA SER 79 HA SER 79 -10.849 -4.892 -8.958 610 1HB SER 79 2HB SER 79 -10.936 -7.039 -7.993 611 2HB SER 79 1HB SER 79 -10.658 -6.407 -6.383 612 HG SER 79 HG SER 79 -12.865 -6.954 -6.741 613 H TYR 80 H TYR 80 -10.228 -4.337 -5.505 614 HA TYR 80 HA TYR 80 -11.946 -1.898 -5.681 615 1HB TYR 80 2HB TYR 80 -12.165 -2.367 -3.190 616 2HB TYR 80 1HB TYR 80 -12.946 -3.510 -4.263 617 HD1 TYR 80 HD1 TYR 80 -12.307 -5.802 -4.310 618 HD2 TYR 80 HD2 TYR 80 -10.017 -2.978 -2.076 619 HE1 TYR 80 HE1 TYR 80 -11.037 -7.698 -3.204 620 HE2 TYR 80 HE2 TYR 80 -8.754 -4.883 -0.977 621 HH TYR 80 HH TYR 80 -8.522 -7.021 -0.845 622 H LEU 81 H LEU 81 -10.088 -0.664 -6.356 623 HA LEU 81 HA LEU 81 -8.752 0.533 -4.138 624 1HB LEU 81 2HB LEU 81 -7.034 -0.817 -3.924 625 2HB LEU 81 1HB LEU 81 -7.421 -1.668 -5.406 626 HG LEU 81 HG LEU 81 -6.344 0.470 -6.479 627 1HD1 LEU 81 1HD1 LEU 81 -5.966 1.674 -4.404 628 2HD1 LEU 81 2HD1 LEU 81 -4.970 0.310 -3.788 629 3HD1 LEU 81 3HD1 LEU 81 -4.401 1.274 -5.195 630 1HD2 LEU 81 1HD2 LEU 81 -4.758 -1.837 -5.327 631 2HD2 LEU 81 2HD2 LEU 81 -5.622 -1.811 -6.904 632 3HD2 LEU 81 3HD2 LEU 81 -4.203 -0.739 -6.639 633 H ALA 82 H ALA 82 -6.960 2.070 -5.008 634 HA ALA 82 HA ALA 82 -8.293 3.653 -7.044 635 1HB ALA 82 1HB ALA 82 -7.312 4.734 -5.076 636 2HB ALA 82 2HB ALA 82 -5.694 4.102 -5.541 637 3HB ALA 82 3HB ALA 82 -6.520 5.313 -6.583 638 H ASP 83 H ASP 83 -6.841 4.705 -8.749 639 HA ASP 83 HA ASP 83 -6.098 2.719 -10.611 640 1HB ASP 83 2HB ASP 83 -4.782 4.662 -11.666 641 2HB ASP 83 1HB ASP 83 -6.526 4.791 -11.560 Start of MODEL 16 1 H GLU 7 H1 GLU 7 10.941 -5.635 14.050 2 HA GLU 7 HA GLU 7 9.416 -5.758 15.808 3 1HB GLU 7 2HB GLU 7 8.178 -3.628 14.395 4 2HB GLU 7 1HB GLU 7 7.029 -4.941 14.552 5 1HG GLU 7 2HG GLU 7 8.573 -3.656 16.799 6 2HG GLU 7 1HG GLU 7 6.865 -3.450 16.471 7 H LYS 8 H LYS 8 7.811 -7.397 15.950 8 HA LYS 8 HA LYS 8 8.227 -9.440 14.025 9 1HB LYS 8 2HB LYS 8 6.747 -10.773 15.311 10 2HB LYS 8 1HB LYS 8 7.678 -9.794 16.427 11 1HG LYS 8 2HG LYS 8 5.518 -8.190 15.932 12 2HG LYS 8 1HG LYS 8 4.801 -9.788 15.886 13 1HD LYS 8 2HD LYS 8 5.528 -10.281 18.092 14 2HD LYS 8 1HD LYS 8 6.592 -8.889 18.127 15 1HE LYS 8 2HE LYS 8 4.887 -7.902 19.237 16 2HE LYS 8 1HE LYS 8 4.199 -7.699 17.639 17 1HZ LYS 8 1HZ LYS 8 3.029 -9.757 17.933 18 2HZ LYS 8 2HZ LYS 8 3.680 -9.950 19.443 19 3HZ LYS 8 3HZ LYS 8 2.641 -8.695 19.143 20 H GLU 9 H GLU 9 6.300 -6.713 14.004 21 HA GLU 9 HA GLU 9 4.050 -7.628 12.550 22 1HB GLU 9 2HB GLU 9 5.290 -5.017 13.089 23 2HB GLU 9 1HB GLU 9 4.263 -5.106 11.671 24 1HG GLU 9 2HG GLU 9 2.390 -5.241 12.908 25 2HG GLU 9 1HG GLU 9 3.097 -6.415 13.999 26 H GLU 10 H GLU 10 7.248 -6.584 11.567 27 HA GLU 10 HA GLU 10 6.691 -6.610 8.760 28 1HB GLU 10 2HB GLU 10 8.552 -5.343 9.353 29 2HB GLU 10 1HB GLU 10 9.213 -6.617 10.358 30 1HG GLU 10 2HG GLU 10 10.205 -7.653 8.609 31 2HG GLU 10 1HG GLU 10 8.857 -7.342 7.535 32 H LYS 11 H LYS 11 7.672 -8.995 11.090 33 HA LYS 11 HA LYS 11 8.433 -10.975 9.164 34 1HB LYS 11 2HB LYS 11 7.819 -11.078 12.083 35 2HB LYS 11 1HB LYS 11 8.150 -12.533 11.164 36 1HG LYS 11 2HG LYS 11 10.086 -10.405 10.679 37 2HG LYS 11 1HG LYS 11 10.046 -10.931 12.349 38 1HD LYS 11 2HD LYS 11 11.232 -12.741 11.804 39 2HD LYS 11 1HD LYS 11 9.952 -13.249 10.721 40 1HE LYS 11 2HE LYS 11 11.090 -12.598 8.884 41 2HE LYS 11 1HE LYS 11 11.642 -11.117 9.639 42 1HZ LYS 11 1HZ LYS 11 13.293 -12.383 10.806 43 2HZ LYS 11 2HZ LYS 11 12.772 -13.784 10.092 44 3HZ LYS 11 3HZ LYS 11 13.457 -12.590 9.171 45 H ASP 12 H ASP 12 5.468 -10.026 10.716 46 HA ASP 12 HA ASP 12 3.865 -12.254 10.043 47 1HB ASP 12 2HB ASP 12 2.908 -10.681 11.499 48 2HB ASP 12 1HB ASP 12 3.258 -9.349 10.416 49 H PHE 13 H PHE 13 4.790 -9.360 8.270 50 HA PHE 13 HA PHE 13 3.156 -10.030 5.947 51 1HB PHE 13 2HB PHE 13 3.402 -7.773 6.062 52 2HB PHE 13 1HB PHE 13 4.946 -7.886 6.882 53 HD1 PHE 13 HD1 PHE 13 3.275 -7.527 3.706 54 HD2 PHE 13 HD2 PHE 13 7.010 -8.225 5.576 55 HE1 PHE 13 HE1 PHE 13 4.452 -6.953 1.573 56 HE2 PHE 13 HE2 PHE 13 8.184 -7.655 3.440 57 HZ PHE 13 HZ PHE 13 6.892 -7.026 1.464 58 H ARG 14 H ARG 14 6.625 -9.801 6.689 59 HA ARG 14 HA ARG 14 7.576 -10.728 4.206 60 1HB ARG 14 2HB ARG 14 9.253 -9.832 5.509 61 2HB ARG 14 1HB ARG 14 8.708 -10.653 6.957 62 1HG ARG 14 2HG ARG 14 9.784 -12.611 6.420 63 2HG ARG 14 1HG ARG 14 9.689 -12.313 4.696 64 1HD ARG 14 2HD ARG 14 11.994 -12.114 5.914 65 2HD ARG 14 1HD ARG 14 11.555 -10.933 4.697 66 HE ARG 14 HE ARG 14 10.770 -10.232 7.435 67 1HH1 ARG 14 2HH1 ARG 14 13.258 -9.938 4.911 68 2HH1 ARG 14 HH22 ARG 14 13.972 -8.503 5.613 69 1HH2 ARG 14 1HH1 ARG 14 11.697 -8.389 8.327 70 2HH2 ARG 14 2HH1 ARG 14 13.074 -7.621 7.569 71 H LYS 15 H LYS 15 6.503 -12.424 7.077 72 HA LYS 15 HA LYS 15 7.410 -14.989 6.484 73 1HB LYS 15 2HB LYS 15 5.532 -15.799 7.863 74 2HB LYS 15 1HB LYS 15 6.429 -14.491 8.608 75 1HG LYS 15 2HG LYS 15 4.369 -13.608 8.938 76 2HG LYS 15 1HG LYS 15 4.542 -13.087 7.274 77 1HD LYS 15 2HD LYS 15 2.482 -14.127 7.192 78 2HD LYS 15 1HD LYS 15 3.539 -15.452 6.746 79 1HE LYS 15 2HE LYS 15 3.258 -15.267 9.618 80 2HE LYS 15 1HE LYS 15 1.696 -15.426 8.840 81 1HZ LYS 15 1HZ LYS 15 2.522 -17.342 7.683 82 2HZ LYS 15 2HZ LYS 15 3.998 -17.191 8.418 83 3HZ LYS 15 3HZ LYS 15 2.658 -17.554 9.320 84 H LYS 16 H LYS 16 4.263 -13.585 5.642 85 HA LYS 16 HA LYS 16 3.788 -15.749 3.753 86 1HB LYS 16 2HB LYS 16 2.061 -14.536 5.257 87 2HB LYS 16 1HB LYS 16 2.035 -13.358 3.960 88 1HG LYS 16 2HG LYS 16 0.357 -14.796 3.283 89 2HG LYS 16 1HG LYS 16 1.737 -15.474 2.443 90 1HD LYS 16 2HD LYS 16 1.077 -16.454 5.183 91 2HD LYS 16 1HD LYS 16 0.140 -17.032 3.820 92 1HE LYS 16 2HE LYS 16 2.588 -17.388 2.809 93 2HE LYS 16 1HE LYS 16 2.978 -17.537 4.511 94 1HZ LYS 16 1HZ LYS 16 1.299 -19.223 4.698 95 2HZ LYS 16 2HZ LYS 16 0.931 -19.081 3.090 96 3HZ LYS 16 3HZ LYS 16 2.417 -19.647 3.552 97 H PHE 17 H PHE 17 4.763 -12.408 3.757 98 HA PHE 17 HA PHE 17 4.695 -12.217 0.831 99 1HB PHE 17 2HB PHE 17 5.525 -10.439 3.104 100 2HB PHE 17 1HB PHE 17 5.779 -9.982 1.432 101 HD1 PHE 17 HD1 PHE 17 4.225 -8.547 0.563 102 HD2 PHE 17 HD2 PHE 17 2.998 -11.338 3.500 103 HE1 PHE 17 HE1 PHE 17 1.896 -7.635 0.456 104 HE2 PHE 17 HE2 PHE 17 0.669 -10.426 3.393 105 HZ PHE 17 HZ PHE 17 0.146 -8.583 1.875 106 H LYS 18 H LYS 18 6.395 -14.240 2.157 107 HA LYS 18 HA LYS 18 9.028 -13.736 2.430 108 1HB LYS 18 2HB LYS 18 7.498 -15.987 1.563 109 2HB LYS 18 1HB LYS 18 9.028 -15.934 0.711 110 1HG LYS 18 2HG LYS 18 8.775 -15.690 3.702 111 2HG LYS 18 1HG LYS 18 9.090 -17.202 2.875 112 1HD LYS 18 2HD LYS 18 11.062 -15.905 1.786 113 2HD LYS 18 1HD LYS 18 10.849 -14.796 3.125 114 1HE LYS 18 2HE LYS 18 10.930 -16.946 4.589 115 2HE LYS 18 1HE LYS 18 11.679 -17.670 3.180 116 1HZ LYS 18 1HZ LYS 18 13.335 -15.953 3.238 117 2HZ LYS 18 2HZ LYS 18 12.627 -15.268 4.569 118 3HZ LYS 18 3HZ LYS 18 13.307 -16.775 4.675 119 H TYR 19 H TYR 19 7.403 -12.248 0.210 120 HA TYR 19 HA TYR 19 8.874 -12.489 -2.210 121 1HB TYR 19 2HB TYR 19 6.963 -11.290 -2.503 122 2HB TYR 19 1HB TYR 19 7.018 -10.632 -0.880 123 HD1 TYR 19 HD1 TYR 19 9.135 -10.377 -3.955 124 HD2 TYR 19 HD2 TYR 19 7.105 -8.331 -0.808 125 HE1 TYR 19 HE1 TYR 19 9.931 -8.153 -4.878 126 HE2 TYR 19 HE2 TYR 19 7.908 -6.113 -1.742 127 HH TYR 19 HH TYR 19 9.048 -5.145 -3.292 128 H ASP 20 H ASP 20 10.917 -12.040 -2.623 129 HA ASP 20 HA ASP 20 12.368 -10.185 -0.826 130 1HB ASP 20 2HB ASP 20 13.189 -12.324 -2.734 131 2HB ASP 20 1HB ASP 20 14.321 -11.056 -2.310 132 H GLY 21 H GLY 21 11.839 -8.176 -1.510 133 1HA GLY 21 2HA GLY 21 12.920 -7.408 -4.138 134 2HA GLY 21 1HA GLY 21 11.226 -7.070 -3.844 135 H GLU 22 H GLU 22 12.119 -4.861 -4.311 136 HA GLU 22 HA GLU 22 13.339 -3.678 -1.890 137 1HB GLU 22 2HB GLU 22 14.501 -3.263 -4.019 138 2HB GLU 22 1HB GLU 22 13.062 -2.468 -4.626 139 1HG GLU 22 2HG GLU 22 13.302 -1.019 -2.459 140 2HG GLU 22 1HG GLU 22 14.967 -1.564 -2.513 141 H ILE 23 H ILE 23 11.624 -3.528 -0.542 142 HA ILE 23 HA ILE 23 9.123 -2.412 -1.395 143 HB ILE 23 HB ILE 23 10.193 -3.600 0.958 144 1HG1 ILE 23 2HG1 ILE 23 7.314 -3.107 0.330 145 2HG1 ILE 23 1HG1 ILE 23 8.264 -4.314 -0.512 146 1HG2 ILE 23 1HG2 ILE 23 10.180 -1.371 1.925 147 2HG2 ILE 23 2HG2 ILE 23 8.469 -1.154 1.414 148 3HG2 ILE 23 3HG2 ILE 23 8.888 -2.384 2.657 149 1HD1 ILE 23 1HG1 ILE 23 8.793 -5.427 1.632 150 2HD1 ILE 23 2HG1 ILE 23 7.818 -4.187 2.496 151 3HD1 ILE 23 3HG1 ILE 23 7.018 -5.331 1.362 152 H ARG 24 H ARG 24 8.919 -0.452 -2.107 153 HA ARG 24 HA ARG 24 9.800 1.756 -0.408 154 1HB ARG 24 2HB ARG 24 11.783 1.452 -1.767 155 2HB ARG 24 1HB ARG 24 10.814 1.464 -3.226 156 1HG ARG 24 2HG ARG 24 11.721 3.643 -3.054 157 2HG ARG 24 1HG ARG 24 10.055 3.789 -2.532 158 1HD ARG 24 2HD ARG 24 10.697 3.853 -0.230 159 2HD ARG 24 1HD ARG 24 12.344 3.399 -0.615 160 HE ARG 24 HE ARG 24 12.816 5.606 -1.239 161 1HH1 ARG 24 2HH1 ARG 24 9.312 5.181 -0.797 162 2HH1 ARG 24 HH22 ARG 24 8.971 6.894 -0.894 163 1HH2 ARG 24 1HH1 ARG 24 12.364 7.803 -1.361 164 2HH2 ARG 24 2HH1 ARG 24 10.723 8.391 -1.217 165 H VAL 25 H VAL 25 8.077 2.952 -0.203 166 HA VAL 25 HA VAL 25 5.895 2.840 -2.035 167 HB VAL 25 HB VAL 25 6.447 4.899 0.062 168 1HG1 VAL 25 1HG1 VAL 25 4.676 5.577 -1.472 169 2HG1 VAL 25 2HG1 VAL 25 3.848 4.002 -1.213 170 3HG1 VAL 25 3HG1 VAL 25 3.999 5.173 0.144 171 1HG2 VAL 25 1HG2 VAL 25 5.019 2.238 0.316 172 2HG2 VAL 25 2HG2 VAL 25 6.604 2.672 1.044 173 3HG2 VAL 25 3HG2 VAL 25 5.107 3.504 1.590 174 H LEU 26 H LEU 26 6.323 3.345 -4.074 175 HA LEU 26 HA LEU 26 7.753 5.849 -4.622 176 1HB LEU 26 2HB LEU 26 8.081 3.538 -5.779 177 2HB LEU 26 1HB LEU 26 6.745 4.089 -6.769 178 HG LEU 26 HG LEU 26 9.534 4.983 -6.681 179 1HD1 LEU 26 1HD1 LEU 26 8.747 3.607 -8.522 180 2HD1 LEU 26 2HD1 LEU 26 7.465 4.815 -8.884 181 3HD1 LEU 26 3HD1 LEU 26 9.195 5.248 -9.107 182 1HD2 LEU 26 1HD2 LEU 26 7.275 6.908 -7.273 183 2HD2 LEU 26 2HD2 LEU 26 8.439 7.009 -5.907 184 3HD2 LEU 26 3HD2 LEU 26 9.017 7.211 -7.597 185 H TYR 27 H TYR 27 4.669 4.279 -5.324 186 HA TYR 27 HA TYR 27 3.494 6.992 -5.747 187 1HB TYR 27 2HB TYR 27 2.150 6.012 -7.491 188 2HB TYR 27 1HB TYR 27 3.830 5.636 -7.815 189 HD1 TYR 27 HD1 TYR 27 4.695 3.328 -7.166 190 HD2 TYR 27 HD2 TYR 27 0.544 4.306 -7.327 191 HE1 TYR 27 HE1 TYR 27 4.112 0.863 -7.292 192 HE2 TYR 27 HE2 TYR 27 -0.025 1.838 -7.452 193 HH TYR 27 HH TYR 27 0.760 -0.168 -7.497 194 H SER 28 H SER 28 2.841 7.011 -3.546 195 HA SER 28 HA SER 28 1.212 4.900 -2.466 196 1HB SER 28 2HB SER 28 0.772 6.458 -0.628 197 2HB SER 28 1HB SER 28 2.483 6.333 -0.986 198 HG SER 28 HG SER 28 1.807 8.512 -0.688 199 H THR 29 H THR 29 -0.666 4.393 -3.294 200 HA THR 29 HA THR 29 -2.341 6.460 -4.499 201 HB THR 29 HB THR 29 -1.896 4.005 -5.335 202 HG1 THR 29 HG1 THR 29 -4.024 4.252 -6.276 203 1HG2 THR 29 1HG2 THR 29 -2.835 2.912 -3.227 204 2HG2 THR 29 2HG2 THR 29 -4.401 3.715 -3.597 205 3HG2 THR 29 3HG2 THR 29 -3.736 2.479 -4.721 206 H LYS 30 H LYS 30 -4.597 6.699 -3.981 207 HA LYS 30 HA LYS 30 -4.968 6.538 -1.056 208 1HB LYS 30 2HB LYS 30 -5.068 8.780 -1.901 209 2HB LYS 30 1HB LYS 30 -6.280 8.321 -3.079 210 1HG LYS 30 2HG LYS 30 -7.498 7.490 -0.828 211 2HG LYS 30 1HG LYS 30 -6.560 8.821 -0.182 212 1HD LYS 30 2HD LYS 30 -8.047 10.272 -0.998 213 2HD LYS 30 1HD LYS 30 -7.741 9.682 -2.619 214 1HE LYS 30 2HE LYS 30 -9.440 7.988 -2.387 215 2HE LYS 30 1HE LYS 30 -9.661 8.381 -0.694 216 1HZ LYS 30 1HZ LYS 30 -10.426 10.544 -1.346 217 2HZ LYS 30 2HZ LYS 30 -10.217 10.173 -2.946 218 3HZ LYS 30 3HZ LYS 30 -11.354 9.368 -2.050 219 H VAL 31 H VAL 31 -6.576 5.469 -0.117 220 HA VAL 31 HA VAL 31 -7.860 3.432 -1.680 221 HB VAL 31 HB VAL 31 -8.740 4.095 1.063 222 1HG1 VAL 31 1HG1 VAL 31 -9.754 2.183 -0.063 223 2HG1 VAL 31 2HG1 VAL 31 -8.121 1.488 -0.352 224 3HG1 VAL 31 3HG1 VAL 31 -8.747 1.644 1.326 225 1HG2 VAL 31 1HG2 VAL 31 -6.045 2.878 0.402 226 2HG2 VAL 31 2HG2 VAL 31 -6.333 4.474 1.179 227 3HG2 VAL 31 3HG2 VAL 31 -6.782 2.961 2.040 228 H THR 32 H THR 32 -9.595 3.557 -2.853 229 HA THR 32 HA THR 32 -11.205 5.956 -2.811 230 HB THR 32 HB THR 32 -10.574 4.615 -4.877 231 HG1 THR 32 HG1 THR 32 -12.731 5.044 -5.674 232 1HG2 THR 32 1HG2 THR 32 -11.252 2.332 -3.953 233 2HG2 THR 32 2HG2 THR 32 -12.945 2.934 -3.910 234 3HG2 THR 32 3HG2 THR 32 -12.091 2.763 -5.483 235 H THR 33 H THR 33 -13.699 5.516 -3.064 236 HA THR 33 HA THR 33 -14.511 4.572 -0.439 237 HB THR 33 HB THR 33 -15.415 6.662 -1.468 238 HG1 THR 33 HG1 THR 33 -17.576 6.008 -0.855 239 1HG2 THR 33 1HG2 THR 33 -15.694 5.749 -3.838 240 2HG2 THR 33 2HG2 THR 33 -16.979 4.670 -3.191 241 3HG2 THR 33 3HG2 THR 33 -17.202 6.454 -3.159 242 H SER 34 H SER 34 -14.257 3.309 -3.580 243 HA SER 34 HA SER 34 -16.222 1.184 -3.060 244 1HB SER 34 2HB SER 34 -16.214 2.161 -5.285 245 2HB SER 34 1HB SER 34 -14.529 1.725 -5.483 246 HG SER 34 HG SER 34 -15.948 0.214 -6.483 247 H ILE 35 H ILE 35 -13.441 1.707 -1.811 248 HA ILE 35 HA ILE 35 -11.909 -0.605 -2.548 249 HB ILE 35 HB ILE 35 -11.436 1.695 -1.146 250 1HG1 ILE 35 2HG1 ILE 35 -10.002 -0.145 -2.517 251 2HG1 ILE 35 1HG1 ILE 35 -9.325 1.243 -1.691 252 1HG2 ILE 35 1HG2 ILE 35 -12.280 0.738 0.921 253 2HG2 ILE 35 2HG2 ILE 35 -11.164 -0.660 0.736 254 3HG2 ILE 35 3HG2 ILE 35 -10.503 0.988 1.022 255 1HD1 ILE 35 1HG1 ILE 35 -8.953 -0.118 0.340 256 2HD1 ILE 35 2HG1 ILE 35 -9.648 -1.542 -0.508 257 3HD1 ILE 35 3HG1 ILE 35 -8.107 -0.817 -1.083 258 H THR 36 H THR 36 -11.213 -2.184 -0.779 259 HA THR 36 HA THR 36 -13.571 -3.660 -0.073 260 HB THR 36 HB THR 36 -11.617 -4.898 -0.710 261 HG1 THR 36 HG1 THR 36 -11.410 -6.090 1.293 262 1HG2 THR 36 1HG2 THR 36 -9.885 -3.166 0.015 263 2HG2 THR 36 2HG2 THR 36 -10.246 -3.626 1.715 264 3HG2 THR 36 3HG2 THR 36 -9.521 -4.829 0.594 265 H SER 37 H SER 37 -14.862 -3.338 1.550 266 HA SER 37 HA SER 37 -13.702 -2.177 4.026 267 1HB SER 37 2HB SER 37 -15.203 -0.551 3.924 268 2HB SER 37 1HB SER 37 -15.841 -1.218 2.434 269 HG SER 37 HG SER 37 -17.441 -1.066 4.082 270 H LYS 38 H LYS 38 -15.679 -4.585 2.537 271 HA LYS 38 HA LYS 38 -16.287 -5.727 5.196 272 1HB LYS 38 2HB LYS 38 -18.204 -6.635 4.376 273 2HB LYS 38 1HB LYS 38 -18.081 -5.216 3.357 274 1HG LYS 38 2HG LYS 38 -17.101 -6.522 1.574 275 2HG LYS 38 1HG LYS 38 -17.043 -7.942 2.598 276 1HD LYS 38 2HD LYS 38 -19.129 -8.486 2.016 277 2HD LYS 38 1HD LYS 38 -19.715 -6.928 2.561 278 1HE LYS 38 2HE LYS 38 -19.542 -5.976 0.449 279 2HE LYS 38 1HE LYS 38 -18.352 -7.143 -0.089 280 1HZ LYS 38 1HZ LYS 38 -20.060 -8.808 -0.099 281 2HZ LYS 38 2HZ LYS 38 -21.185 -7.705 0.409 282 3HZ LYS 38 3HZ LYS 38 -20.482 -7.543 -1.081 283 H LYS 39 H LYS 39 -15.121 -6.559 1.970 284 HA LYS 39 HA LYS 39 -14.286 -9.186 2.726 285 1HB LYS 39 2HB LYS 39 -14.618 -7.891 0.357 286 2HB LYS 39 1HB LYS 39 -12.874 -8.015 0.469 287 1HG LYS 39 2HG LYS 39 -13.287 -10.049 -0.478 288 2HG LYS 39 1HG LYS 39 -13.505 -10.505 1.199 289 1HD LYS 39 2HD LYS 39 -15.368 -11.368 -0.043 290 2HD LYS 39 1HD LYS 39 -15.948 -10.034 0.933 291 1HE LYS 39 2HE LYS 39 -16.759 -9.097 -0.929 292 2HE LYS 39 1HE LYS 39 -15.113 -8.902 -1.497 293 1HZ LYS 39 1HZ LYS 39 -15.236 -11.084 -2.454 294 2HZ LYS 39 2HZ LYS 39 -16.791 -11.269 -1.916 295 3HZ LYS 39 3HZ LYS 39 -16.440 -10.121 -3.057 296 H TRP 40 H TRP 40 -12.648 -9.855 3.847 297 HA TRP 40 HA TRP 40 -10.197 -8.241 3.910 298 1HB TRP 40 2HB TRP 40 -11.752 -8.950 6.370 299 2HB TRP 40 1HB TRP 40 -10.084 -8.415 6.385 300 HD1 TRP 40 HD1 TRP 40 -13.005 -6.892 7.412 301 HE1 TRP 40 HE1 TRP 40 -9.448 -6.701 3.799 302 HE3 TRP 40 HE3 TRP 40 -13.224 -4.370 6.873 303 HZ2 TRP 40 HZ2 TRP 40 -9.019 -4.505 2.708 304 HZ3 TRP 40 HZ3 TRP 40 -11.991 -2.536 5.089 305 HH2 TRP 40 HH2 TRP 40 -10.223 -2.469 3.300 306 H GLY 41 H GLY 41 -8.467 -9.454 3.752 307 1HA GLY 41 2HA GLY 41 -8.805 -12.369 4.274 308 2HA GLY 41 1HA GLY 41 -7.834 -11.724 2.966 309 H THR 42 H THR 42 -6.890 -13.536 4.880 310 HA THR 42 HA THR 42 -5.553 -12.372 7.056 311 HB THR 42 HB THR 42 -5.881 -14.833 6.611 312 HG1 THR 42 HG1 THR 42 -3.770 -15.211 7.544 313 1HG2 THR 42 1HG2 THR 42 -4.951 -14.833 4.232 314 2HG2 THR 42 2HG2 THR 42 -3.351 -14.414 4.937 315 3HG2 THR 42 3HG2 THR 42 -4.120 -15.992 5.327 316 H ARG 43 H ARG 43 -4.707 -12.572 3.671 317 HA ARG 43 HA ARG 43 -2.133 -11.229 4.199 318 1HB ARG 43 2HB ARG 43 -3.189 -12.912 2.065 319 2HB ARG 43 1HB ARG 43 -2.318 -11.508 1.482 320 1HG ARG 43 2HG ARG 43 -0.496 -12.187 3.169 321 2HG ARG 43 1HG ARG 43 -1.317 -13.734 3.225 322 1HD ARG 43 2HD ARG 43 -0.222 -12.421 0.738 323 2HD ARG 43 1HD ARG 43 0.514 -13.764 1.589 324 HE ARG 43 HE ARG 43 -2.146 -14.507 0.985 325 1HH1 ARG 43 2HH1 ARG 43 0.873 -13.779 -0.750 326 2HH1 ARG 43 HH22 ARG 43 0.484 -14.812 -2.107 327 1HH2 ARG 43 1HH1 ARG 43 -2.634 -15.832 -0.764 328 2HH2 ARG 43 2HH1 ARG 43 -1.527 -15.986 -2.109 329 H ASP 44 H ASP 44 -5.154 -10.268 4.051 330 HA ASP 44 HA ASP 44 -4.662 -7.947 2.265 331 1HB ASP 44 2HB ASP 44 -6.902 -9.561 2.649 332 2HB ASP 44 1HB ASP 44 -7.276 -8.056 3.463 333 H LEU 45 H LEU 45 -5.462 -5.852 3.022 334 HA LEU 45 HA LEU 45 -4.771 -5.523 5.870 335 1HB LEU 45 2HB LEU 45 -3.700 -4.266 3.837 336 2HB LEU 45 1HB LEU 45 -5.077 -3.209 4.072 337 HG LEU 45 HG LEU 45 -4.346 -2.946 6.433 338 1HD1 LEU 45 1HD1 LEU 45 -2.975 -4.937 6.665 339 2HD1 LEU 45 2HD1 LEU 45 -1.832 -4.301 5.431 340 3HD1 LEU 45 3HD1 LEU 45 -2.008 -3.462 7.012 341 1HD2 LEU 45 1HD2 LEU 45 -2.444 -1.996 4.277 342 2HD2 LEU 45 2HD2 LEU 45 -3.969 -1.194 4.791 343 3HD2 LEU 45 3HD2 LEU 45 -2.581 -1.300 5.929 344 H GLN 46 H GLN 46 -5.991 -4.196 7.248 345 HA GLN 46 HA GLN 46 -8.853 -4.473 6.696 346 1HB GLN 46 2HB GLN 46 -8.192 -5.207 8.857 347 2HB GLN 46 1HB GLN 46 -7.345 -3.706 9.172 348 1HG GLN 46 2HG GLN 46 -9.275 -2.546 9.599 349 2HG GLN 46 1HG GLN 46 -10.235 -3.538 8.521 350 1HE2 GLN 46 1HE2 GLN 46 -10.234 -5.943 9.207 351 2HE2 GLN 46 2HE2 GLN 46 -10.646 -6.242 10.881 352 H VAL 47 H VAL 47 -7.282 -2.590 5.182 353 HA VAL 47 HA VAL 47 -7.726 0.053 6.137 354 HB VAL 47 HB VAL 47 -7.191 0.763 3.911 355 1HG1 VAL 47 1HG1 VAL 47 -5.330 0.060 5.324 356 2HG1 VAL 47 2HG1 VAL 47 -5.528 -1.630 4.742 357 3HG1 VAL 47 3HG1 VAL 47 -5.009 -0.341 3.601 358 1HG2 VAL 47 1HG2 VAL 47 -7.498 -2.142 3.109 359 2HG2 VAL 47 2HG2 VAL 47 -8.576 -0.784 2.633 360 3HG2 VAL 47 3HG2 VAL 47 -6.874 -0.826 2.055 361 H LYS 48 H LYS 48 -9.167 1.654 5.203 362 HA LYS 48 HA LYS 48 -11.801 0.426 4.620 363 1HB LYS 48 2HB LYS 48 -12.668 2.647 5.617 364 2HB LYS 48 1HB LYS 48 -12.131 1.369 6.688 365 1HG LYS 48 2HG LYS 48 -10.087 3.319 5.802 366 2HG LYS 48 1HG LYS 48 -11.291 3.894 6.937 367 1HD LYS 48 2HD LYS 48 -9.675 1.392 7.371 368 2HD LYS 48 1HD LYS 48 -9.200 2.961 7.988 369 1HE LYS 48 2HE LYS 48 -11.475 3.056 9.113 370 2HE LYS 48 1HE LYS 48 -11.642 1.360 8.707 371 1HZ LYS 48 1HZ LYS 48 -9.641 0.920 9.929 372 2HZ LYS 48 2HZ LYS 48 -9.483 2.523 10.312 373 3HZ LYS 48 3HZ LYS 48 -10.762 1.653 10.903 374 HA PRO 49 HA PRO 49 -11.877 2.590 0.903 375 1HB PRO 49 2HB PRO 49 -14.584 2.970 0.553 376 2HB PRO 49 1HB PRO 49 -13.726 1.482 0.210 377 1HG PRO 49 2HG PRO 49 -15.529 2.104 2.428 378 2HG PRO 49 1HG PRO 49 -15.008 0.541 1.833 379 1HD PRO 49 2HD PRO 49 -14.088 1.885 4.160 380 2HD PRO 49 1HD PRO 49 -13.486 0.378 3.500 381 H GLY 50 H GLY 50 -11.294 4.576 0.457 382 1HA GLY 50 2HA GLY 50 -11.803 6.910 0.218 383 2HA GLY 50 1HA GLY 50 -12.852 6.813 1.618 384 H GLU 51 H GLU 51 -10.031 5.063 2.068 385 HA GLU 51 HA GLU 51 -8.915 7.256 3.713 386 1HB GLU 51 2HB GLU 51 -9.207 4.402 4.131 387 2HB GLU 51 1HB GLU 51 -7.581 4.971 4.452 388 1HG GLU 51 2HG GLU 51 -9.152 6.897 5.637 389 2HG GLU 51 1HG GLU 51 -10.036 5.419 5.958 390 H SER 52 H SER 52 -6.480 7.053 4.040 391 HA SER 52 HA SER 52 -5.282 6.802 1.339 392 1HB SER 52 2HB SER 52 -3.963 8.603 1.741 393 2HB SER 52 1HB SER 52 -5.314 9.027 2.773 394 HG SER 52 HG SER 52 -3.291 9.232 3.849 395 H LEU 53 H LEU 53 -3.711 5.422 0.956 396 HA LEU 53 HA LEU 53 -2.224 4.309 3.231 397 1HB LEU 53 2HB LEU 53 -3.026 2.264 3.155 398 2HB LEU 53 1HB LEU 53 -4.354 2.948 2.239 399 HG LEU 53 HG LEU 53 -1.986 1.446 1.246 400 1HD1 LEU 53 1HD1 LEU 53 -3.864 0.084 1.965 401 2HD1 LEU 53 2HD1 LEU 53 -4.964 1.030 0.904 402 3HD1 LEU 53 3HD1 LEU 53 -3.677 0.006 0.179 403 1HD2 LEU 53 1HD2 LEU 53 -3.918 3.070 -0.424 404 2HD2 LEU 53 2HD2 LEU 53 -2.165 3.396 -0.190 405 3HD2 LEU 53 3HD2 LEU 53 -2.696 1.918 -1.065 406 H GLU 54 H GLU 54 -0.237 3.366 2.706 407 HA GLU 54 HA GLU 54 0.967 4.646 0.397 408 1HB GLU 54 2HB GLU 54 1.911 3.401 2.843 409 2HB GLU 54 1HB GLU 54 2.896 3.006 1.449 410 1HG GLU 54 2HG GLU 54 3.894 4.969 2.142 411 2HG GLU 54 1HG GLU 54 2.732 5.583 0.982 412 H VAL 55 H VAL 55 1.572 3.813 -1.476 413 HA VAL 55 HA VAL 55 0.853 0.976 -1.919 414 HB VAL 55 HB VAL 55 0.769 3.391 -3.610 415 1HG1 VAL 55 1HG1 VAL 55 2.249 1.939 -4.895 416 2HG1 VAL 55 2HG1 VAL 55 1.072 0.591 -4.727 417 3HG1 VAL 55 3HG1 VAL 55 0.634 2.053 -5.676 418 1HG2 VAL 55 1HG2 VAL 55 -1.069 1.004 -3.293 419 2HG2 VAL 55 2HG2 VAL 55 -1.279 2.620 -2.533 420 3HG2 VAL 55 3HG2 VAL 55 -1.393 2.444 -4.319 421 H ILE 56 H ILE 56 2.350 -0.472 -2.224 422 HA ILE 56 HA ILE 56 5.115 0.472 -2.512 423 HB ILE 56 HB ILE 56 4.143 -2.300 -2.000 424 1HG1 ILE 56 2HG1 ILE 56 4.731 -0.067 -0.118 425 2HG1 ILE 56 1HG1 ILE 56 3.345 -1.139 -0.164 426 1HG2 ILE 56 1HG2 ILE 56 6.398 -2.249 -2.902 427 2HG2 ILE 56 2HG2 ILE 56 6.876 -1.047 -1.654 428 3HG2 ILE 56 3HG2 ILE 56 6.424 -2.718 -1.166 429 1HD1 ILE 56 1HG1 ILE 56 4.765 -3.042 0.528 430 2HD1 ILE 56 2HG1 ILE 56 6.187 -1.942 0.575 431 3HD1 ILE 56 3HG1 ILE 56 4.828 -1.704 1.729 432 H GLN 57 H GLN 57 5.524 -2.408 -3.613 433 HA GLN 57 HA GLN 57 5.379 -1.523 -6.415 434 1HB GLN 57 2HB GLN 57 7.370 -2.773 -5.045 435 2HB GLN 57 1HB GLN 57 6.611 -4.111 -5.883 436 1HG GLN 57 2HG GLN 57 7.761 -3.515 -7.706 437 2HG GLN 57 1HG GLN 57 6.772 -2.071 -7.780 438 1HE2 GLN 57 1HE2 GLN 57 9.691 -3.474 -6.394 439 2HE2 GLN 57 2HE2 GLN 57 10.611 -1.992 -6.263 440 H THR 58 H THR 58 4.596 -2.853 -8.088 441 HA THR 58 HA THR 58 2.078 -4.037 -7.443 442 HB THR 58 HB THR 58 2.302 -4.708 -9.975 443 HG1 THR 58 HG1 THR 58 4.060 -3.445 -10.862 444 1HG2 THR 58 1HG2 THR 58 1.069 -2.623 -9.165 445 2HG2 THR 58 2HG2 THR 58 2.651 -1.770 -9.185 446 3HG2 THR 58 3HG2 THR 58 1.941 -2.381 -10.719 447 H THR 59 H THR 59 1.628 -5.931 -6.663 448 HA THR 59 HA THR 59 3.533 -7.894 -6.090 449 HB THR 59 HB THR 59 0.545 -7.832 -6.204 450 HG1 THR 59 HG1 THR 59 1.072 -8.213 -3.957 451 1HG2 THR 59 1HG2 THR 59 1.234 -10.197 -6.880 452 2HG2 THR 59 2HG2 THR 59 2.256 -10.242 -5.401 453 3HG2 THR 59 3HG2 THR 59 0.469 -10.110 -5.256 454 H ASP 60 H ASP 60 0.903 -8.470 -8.382 455 HA ASP 60 HA ASP 60 2.797 -10.077 -10.013 456 1HB ASP 60 2HB ASP 60 0.977 -11.429 -9.412 457 2HB ASP 60 1HB ASP 60 -0.173 -10.132 -9.668 458 H ASP 61 H ASP 61 -0.287 -8.908 -11.097 459 HA ASP 61 HA ASP 61 1.103 -7.135 -13.049 460 1HB ASP 61 2HB ASP 61 -1.219 -8.979 -13.321 461 2HB ASP 61 1HB ASP 61 -1.148 -7.538 -14.314 462 H THR 62 H THR 62 -2.067 -7.730 -11.548 463 HA THR 62 HA THR 62 -2.369 -4.789 -11.282 464 HB THR 62 HB THR 62 -4.801 -6.488 -11.402 465 HG1 THR 62 HG1 THR 62 -4.435 -6.586 -13.710 466 1HG2 THR 62 1HG2 THR 62 -4.863 -3.936 -11.408 467 2HG2 THR 62 2HG2 THR 62 -3.917 -3.990 -12.935 468 3HG2 THR 62 3HG2 THR 62 -5.579 -4.674 -12.883 469 H LYS 63 H LYS 63 -1.074 -5.311 -9.307 470 HA LYS 63 HA LYS 63 -2.931 -5.441 -7.088 471 1HB LYS 63 2HB LYS 63 -2.640 -7.780 -7.305 472 2HB LYS 63 1HB LYS 63 -0.903 -7.611 -7.463 473 1HG LYS 63 2HG LYS 63 -1.146 -8.263 -5.241 474 2HG LYS 63 1HG LYS 63 -1.035 -6.519 -5.115 475 1HD LYS 63 2HD LYS 63 -2.913 -6.739 -3.871 476 2HD LYS 63 1HD LYS 63 -3.705 -6.821 -5.432 477 1HE LYS 63 2HE LYS 63 -4.269 -8.979 -5.143 478 2HE LYS 63 1HE LYS 63 -2.669 -9.401 -4.565 479 1HZ LYS 63 1HZ LYS 63 -3.264 -8.527 -2.427 480 2HZ LYS 63 2HZ LYS 63 -4.775 -8.129 -2.972 481 3HZ LYS 63 3HZ LYS 63 -4.321 -9.719 -2.877 482 H VAL 64 H VAL 64 -2.366 -4.105 -5.551 483 HA VAL 64 HA VAL 64 0.455 -3.181 -5.553 484 HB VAL 64 HB VAL 64 -0.360 -0.986 -4.892 485 1HG1 VAL 64 1HG1 VAL 64 0.105 -1.408 -7.249 486 2HG1 VAL 64 2HG1 VAL 64 -1.573 -2.016 -7.470 487 3HG1 VAL 64 3HG1 VAL 64 -1.289 -0.287 -7.065 488 1HG2 VAL 64 1HG2 VAL 64 -3.117 -2.148 -5.368 489 2HG2 VAL 64 2HG2 VAL 64 -2.438 -1.625 -3.788 490 3HG2 VAL 64 3HG2 VAL 64 -2.749 -0.412 -5.078 491 H LEU 65 H LEU 65 1.551 -3.353 -3.751 492 HA LEU 65 HA LEU 65 0.146 -4.447 -1.432 493 1HB LEU 65 2HB LEU 65 1.985 -5.677 -1.535 494 2HB LEU 65 1HB LEU 65 2.872 -4.458 -2.428 495 HG LEU 65 HG LEU 65 3.251 -3.265 -0.313 496 1HD1 LEU 65 1HD1 LEU 65 1.361 -4.076 0.979 497 2HD1 LEU 65 2HD1 LEU 65 2.048 -5.738 0.951 498 3HD1 LEU 65 3HD1 LEU 65 2.905 -4.426 1.832 499 1HD2 LEU 65 1HD2 LEU 65 4.283 -6.108 -0.425 500 2HD2 LEU 65 2HD2 LEU 65 4.990 -4.677 -1.252 501 3HD2 LEU 65 3HD2 LEU 65 5.001 -4.774 0.543 502 H CYS 66 H CYS 66 -0.529 -3.354 0.225 503 HA CYS 66 HA CYS 66 0.189 -0.511 0.378 504 1HB CYS 66 2HB CYS 66 -2.071 -0.589 0.687 505 2HB CYS 66 1HB CYS 66 -2.020 -2.160 1.461 506 HG CYS 66 HG CYS 66 -2.840 -0.240 3.430 507 H ARG 67 H ARG 67 0.783 0.461 2.409 508 HA ARG 67 HA ARG 67 2.186 -1.413 4.226 509 1HB ARG 67 2HB ARG 67 3.612 -0.043 2.423 510 2HB ARG 67 1HB ARG 67 3.513 1.166 3.687 511 1HG ARG 67 2HG ARG 67 4.364 -0.529 5.302 512 2HG ARG 67 1HG ARG 67 4.580 -1.639 3.964 513 1HD ARG 67 2HD ARG 67 6.012 0.960 4.458 514 2HD ARG 67 1HD ARG 67 6.706 -0.643 4.320 515 HE ARG 67 HE ARG 67 5.328 -0.033 1.901 516 1HH1 ARG 67 2HH1 ARG 67 8.249 0.934 3.688 517 2HH1 ARG 67 HH22 ARG 67 9.122 1.403 2.246 518 1HH2 ARG 67 1HH1 ARG 67 6.461 0.573 0.057 519 2HH2 ARG 67 2HH1 ARG 67 8.093 1.194 0.169 520 H ASN 68 H ASN 68 2.291 -0.837 6.344 521 HA ASN 68 HA ASN 68 0.735 1.600 7.072 522 1HB ASN 68 2HB ASN 68 -0.335 -0.633 7.634 523 2HB ASN 68 1HB ASN 68 0.999 -0.891 8.740 524 1HD2 ASN 68 1HD2 ASN 68 -0.671 -1.042 10.350 525 2HD2 ASN 68 2HD2 ASN 68 -1.297 0.414 11.090 526 H GLU 69 H GLU 69 1.718 3.050 8.291 527 HA GLU 69 HA GLU 69 4.459 2.951 8.825 528 1HB GLU 69 2HB GLU 69 2.236 4.630 9.848 529 2HB GLU 69 1HB GLU 69 3.806 4.744 10.616 530 1HG GLU 69 2HG GLU 69 3.945 4.794 7.702 531 2HG GLU 69 1HG GLU 69 3.030 6.129 8.373 532 H GLU 70 H GLU 70 1.910 1.374 10.376 533 HA GLU 70 HA GLU 70 3.095 1.165 12.986 534 1HB GLU 70 2HB GLU 70 0.698 0.867 12.653 535 2HB GLU 70 1HB GLU 70 1.007 -0.567 11.695 536 1HG GLU 70 2HG GLU 70 1.794 -1.776 13.553 537 2HG GLU 70 1HG GLU 70 2.019 -0.326 14.509 538 H GLY 71 H GLY 71 4.018 -0.003 10.060 539 1HA GLY 71 2HA GLY 71 5.893 -1.366 9.671 540 2HA GLY 71 1HA GLY 71 5.815 -1.946 11.323 541 H LYS 72 H LYS 72 2.839 -1.903 9.701 542 HA LYS 72 HA LYS 72 3.086 -4.803 9.146 543 1HB LYS 72 2HB LYS 72 1.694 -4.564 11.050 544 2HB LYS 72 1HB LYS 72 0.756 -3.301 10.279 545 1HG LYS 72 2HG LYS 72 0.181 -5.057 8.504 546 2HG LYS 72 1HG LYS 72 0.800 -6.234 9.645 547 1HD LYS 72 2HD LYS 72 -1.645 -5.974 9.828 548 2HD LYS 72 1HD LYS 72 -0.827 -5.517 11.309 549 1HE LYS 72 2HE LYS 72 -1.281 -3.273 11.028 550 2HE LYS 72 1HE LYS 72 -1.385 -3.406 9.284 551 1HZ LYS 72 1HZ LYS 72 -3.460 -4.553 9.544 552 2HZ LYS 72 2HZ LYS 72 -3.361 -4.428 11.192 553 3HZ LYS 72 3HZ LYS 72 -3.530 -3.065 10.267 554 H TYR 73 H TYR 73 2.878 -5.407 7.153 555 HA TYR 73 HA TYR 73 1.899 -3.443 5.171 556 1HB TYR 73 2HB TYR 73 3.319 -6.097 5.036 557 2HB TYR 73 1HB TYR 73 2.868 -5.167 3.621 558 HD1 TYR 73 HD1 TYR 73 4.618 -4.537 6.867 559 HD2 TYR 73 HD2 TYR 73 4.576 -3.977 2.636 560 HE1 TYR 73 HE1 TYR 73 6.802 -3.253 7.008 561 HE2 TYR 73 HE2 TYR 73 6.758 -2.692 2.792 562 HH TYR 73 HH TYR 73 8.297 -1.955 4.107 563 H GLY 74 H GLY 74 0.595 -4.264 3.358 564 1HA GLY 74 2HA GLY 74 -1.066 -6.611 3.866 565 2HA GLY 74 1HA GLY 74 -1.908 -5.080 3.979 566 H TYR 75 H TYR 75 -2.496 -7.117 2.123 567 HA TYR 75 HA TYR 75 -1.485 -6.035 -0.456 568 1HB TYR 75 2HB TYR 75 -2.605 -8.592 0.570 569 2HB TYR 75 1HB TYR 75 -2.863 -8.206 -1.119 570 HD1 TYR 75 HD1 TYR 75 -0.339 -6.920 -1.866 571 HD2 TYR 75 HD2 TYR 75 -1.055 -10.336 0.589 572 HE1 TYR 75 HE1 TYR 75 1.970 -7.808 -2.419 573 HE2 TYR 75 HE2 TYR 75 1.257 -11.214 0.030 574 HH TYR 75 HH TYR 75 3.080 -10.854 -1.062 575 H VAL 76 H VAL 76 -2.907 -5.509 -2.125 576 HA VAL 76 HA VAL 76 -5.767 -5.352 -1.462 577 HB VAL 76 HB VAL 76 -4.442 -2.929 -2.548 578 1HG1 VAL 76 1HG1 VAL 76 -6.870 -3.058 -2.734 579 2HG1 VAL 76 2HG1 VAL 76 -6.990 -3.361 -0.966 580 3HG1 VAL 76 3HG1 VAL 76 -6.388 -1.777 -1.567 581 1HG2 VAL 76 1HG2 VAL 76 -4.769 -3.570 0.395 582 2HG2 VAL 76 2HG2 VAL 76 -3.215 -3.402 -0.494 583 3HG2 VAL 76 3HG2 VAL 76 -4.288 -1.975 -0.281 584 H LEU 77 H LEU 77 -6.955 -6.039 -3.055 585 HA LEU 77 HA LEU 77 -5.683 -6.623 -5.592 586 1HB LEU 77 2HB LEU 77 -7.590 -7.863 -4.200 587 2HB LEU 77 1HB LEU 77 -8.576 -6.964 -5.336 588 HG LEU 77 HG LEU 77 -6.665 -9.169 -5.826 589 1HD1 LEU 77 1HD1 LEU 77 -9.010 -9.740 -5.542 590 2HD1 LEU 77 2HD1 LEU 77 -9.455 -8.576 -6.838 591 3HD1 LEU 77 3HD1 LEU 77 -8.488 -10.039 -7.237 592 1HD2 LEU 77 1HD2 LEU 77 -7.506 -7.141 -7.910 593 2HD2 LEU 77 2HD2 LEU 77 -5.841 -7.408 -7.284 594 3HD2 LEU 77 3HD2 LEU 77 -6.657 -8.691 -8.243 595 H ARG 78 H ARG 78 -6.025 -5.741 -7.554 596 HA ARG 78 HA ARG 78 -6.532 -2.978 -7.662 597 1HB ARG 78 2HB ARG 78 -6.353 -3.142 -9.994 598 2HB ARG 78 1HB ARG 78 -5.352 -4.447 -9.389 599 1HG ARG 78 2HG ARG 78 -6.543 -5.864 -10.641 600 2HG ARG 78 1HG ARG 78 -7.931 -5.518 -9.629 601 1HD ARG 78 2HD ARG 78 -7.141 -4.007 -12.118 602 2HD ARG 78 1HD ARG 78 -8.473 -5.137 -11.983 603 HE ARG 78 HE ARG 78 -9.666 -3.573 -10.607 604 1HH1 ARG 78 2HH1 ARG 78 -6.569 -2.311 -11.818 605 2HH1 ARG 78 HH22 ARG 78 -6.979 -0.644 -11.480 606 1HH2 ARG 78 1HH1 ARG 78 -10.181 -1.429 -10.178 607 2HH2 ARG 78 2HH1 ARG 78 -9.049 -0.145 -10.541 608 H SER 79 H SER 79 -8.659 -5.647 -7.564 609 HA SER 79 HA SER 79 -10.905 -4.739 -8.926 610 1HB SER 79 2HB SER 79 -10.394 -6.856 -7.312 611 2HB SER 79 1HB SER 79 -11.504 -5.930 -6.322 612 HG SER 79 HG SER 79 -12.592 -7.417 -7.700 613 H TYR 80 H TYR 80 -10.254 -4.290 -5.462 614 HA TYR 80 HA TYR 80 -11.958 -1.839 -5.552 615 1HB TYR 80 2HB TYR 80 -12.172 -2.374 -3.082 616 2HB TYR 80 1HB TYR 80 -12.941 -3.506 -4.176 617 HD1 TYR 80 HD1 TYR 80 -9.998 -2.981 -2.001 618 HD2 TYR 80 HD2 TYR 80 -12.289 -5.790 -4.254 619 HE1 TYR 80 HE1 TYR 80 -8.709 -4.891 -0.942 620 HE2 TYR 80 HE2 TYR 80 -10.992 -7.692 -3.188 621 HH TYR 80 HH TYR 80 -9.433 -8.220 -1.800 622 H LEU 81 H LEU 81 -10.099 -0.597 -6.214 623 HA LEU 81 HA LEU 81 -8.731 0.523 -3.971 624 1HB LEU 81 2HB LEU 81 -7.016 -0.846 -3.843 625 2HB LEU 81 1HB LEU 81 -7.421 -1.622 -5.361 626 HG LEU 81 HG LEU 81 -6.358 0.573 -6.334 627 1HD1 LEU 81 1HD1 LEU 81 -5.946 1.661 -4.201 628 2HD1 LEU 81 2HD1 LEU 81 -4.945 0.263 -3.675 629 3HD1 LEU 81 3HD1 LEU 81 -4.395 1.302 -5.036 630 1HD2 LEU 81 1HD2 LEU 81 -4.761 -1.795 -5.334 631 2HD2 LEU 81 2HD2 LEU 81 -5.648 -1.681 -6.894 632 3HD2 LEU 81 3HD2 LEU 81 -4.223 -0.628 -6.591 633 H ALA 82 H ALA 82 -6.944 2.084 -4.823 634 HA ALA 82 HA ALA 82 -8.319 3.754 -6.758 635 1HB ALA 82 1HB ALA 82 -7.276 4.750 -4.777 636 2HB ALA 82 2HB ALA 82 -5.676 4.127 -5.311 637 3HB ALA 82 3HB ALA 82 -6.521 5.383 -6.282 638 H ASP 83 H ASP 83 -6.888 4.871 -8.451 639 HA ASP 83 HA ASP 83 -6.230 2.973 -10.426 640 1HB ASP 83 2HB ASP 83 -5.854 5.860 -10.059 641 2HB ASP 83 1HB ASP 83 -4.712 5.095 -11.145 Start of MODEL 17 1 H GLU 7 H1 GLU 7 4.303 -5.330 16.159 2 HA GLU 7 HA GLU 7 5.076 -4.433 14.152 3 1HB GLU 7 2HB GLU 7 7.363 -3.948 13.752 4 2HB GLU 7 1HB GLU 7 6.910 -3.113 15.224 5 1HG GLU 7 2HG GLU 7 8.112 -4.570 16.576 6 2HG GLU 7 1HG GLU 7 8.093 -5.852 15.382 7 H LYS 8 H LYS 8 4.330 -6.866 15.397 8 HA LYS 8 HA LYS 8 6.228 -8.860 14.447 9 1HB LYS 8 2HB LYS 8 4.741 -9.015 16.537 10 2HB LYS 8 1HB LYS 8 3.483 -9.494 15.415 11 1HG LYS 8 2HG LYS 8 4.309 -11.567 15.328 12 2HG LYS 8 1HG LYS 8 5.867 -10.951 14.814 13 1HD LYS 8 2HD LYS 8 6.330 -12.113 16.805 14 2HD LYS 8 1HD LYS 8 6.275 -10.430 17.289 15 1HE LYS 8 2HE LYS 8 3.781 -10.894 17.803 16 2HE LYS 8 1HE LYS 8 4.246 -12.583 17.763 17 1HZ LYS 8 1HZ LYS 8 5.876 -12.124 19.442 18 2HZ LYS 8 2HZ LYS 8 5.437 -10.528 19.480 19 3HZ LYS 8 3HZ LYS 8 4.367 -11.693 19.970 20 H GLU 9 H GLU 9 3.721 -7.009 13.200 21 HA GLU 9 HA GLU 9 2.625 -8.796 11.297 22 1HB GLU 9 2HB GLU 9 1.936 -6.359 12.016 23 2HB GLU 9 1HB GLU 9 2.898 -5.925 10.617 24 1HG GLU 9 2HG GLU 9 0.500 -6.233 10.070 25 2HG GLU 9 1HG GLU 9 1.540 -7.334 9.191 26 H GLU 10 H GLU 10 5.523 -6.869 11.342 27 HA GLU 10 HA GLU 10 6.160 -7.065 8.588 28 1HB GLU 10 2HB GLU 10 7.370 -5.467 9.785 29 2HB GLU 10 1HB GLU 10 7.823 -6.614 11.030 30 1HG GLU 10 2HG GLU 10 9.743 -6.194 9.627 31 2HG GLU 10 1HG GLU 10 9.187 -7.831 9.344 32 H LYS 11 H LYS 11 6.880 -9.128 11.345 33 HA LYS 11 HA LYS 11 8.473 -10.962 9.817 34 1HB LYS 11 2HB LYS 11 7.289 -11.028 12.550 35 2HB LYS 11 1HB LYS 11 8.056 -12.448 11.869 36 1HG LYS 11 2HG LYS 11 9.903 -11.526 12.833 37 2HG LYS 11 1HG LYS 11 9.954 -10.643 11.320 38 1HD LYS 11 2HD LYS 11 9.509 -8.684 12.327 39 2HD LYS 11 1HD LYS 11 8.238 -9.384 13.309 40 1HE LYS 11 2HE LYS 11 10.923 -10.235 14.093 41 2HE LYS 11 1HE LYS 11 10.659 -8.511 14.256 42 1HZ LYS 11 1HZ LYS 11 8.707 -8.980 15.544 43 2HZ LYS 11 2HZ LYS 11 8.956 -10.610 15.391 44 3HZ LYS 11 3HZ LYS 11 10.037 -9.683 16.236 45 H ASP 12 H ASP 12 5.108 -10.732 10.741 46 HA ASP 12 HA ASP 12 4.356 -13.311 9.706 47 1HB ASP 12 2HB ASP 12 3.048 -11.879 11.344 48 2HB ASP 12 1HB ASP 12 2.577 -10.912 9.961 49 H PHE 13 H PHE 13 4.670 -10.069 8.450 50 HA PHE 13 HA PHE 13 3.239 -10.411 6.009 51 1HB PHE 13 2HB PHE 13 3.761 -8.229 6.715 52 2HB PHE 13 1HB PHE 13 5.444 -8.633 6.985 53 HD1 PHE 13 HD1 PHE 13 2.929 -7.868 4.436 54 HD2 PHE 13 HD2 PHE 13 7.035 -8.538 5.218 55 HE1 PHE 13 HE1 PHE 13 3.504 -6.993 2.161 56 HE2 PHE 13 HE2 PHE 13 7.610 -7.663 2.943 57 HZ PHE 13 HZ PHE 13 5.838 -6.901 1.442 58 H ARG 14 H ARG 14 6.716 -10.544 6.742 59 HA ARG 14 HA ARG 14 7.567 -11.295 4.159 60 1HB ARG 14 2HB ARG 14 9.321 -10.626 5.498 61 2HB ARG 14 1HB ARG 14 8.746 -11.537 6.880 62 1HG ARG 14 2HG ARG 14 9.511 -13.588 5.971 63 2HG ARG 14 1HG ARG 14 9.760 -12.878 4.389 64 1HD ARG 14 2HD ARG 14 11.916 -12.692 5.030 65 2HD ARG 14 1HD ARG 14 11.362 -11.317 5.964 66 HE ARG 14 HE ARG 14 10.895 -13.327 7.711 67 1HH1 ARG 14 2HH1 ARG 14 13.757 -12.609 5.723 68 2HH1 ARG 14 HH22 ARG 14 14.874 -13.334 6.857 69 1HH2 ARG 14 1HH1 ARG 14 12.340 -14.256 9.157 70 2HH2 ARG 14 2HH1 ARG 14 14.057 -14.275 8.821 71 H LYS 15 H LYS 15 6.215 -13.107 6.790 72 HA LYS 15 HA LYS 15 7.005 -15.691 6.079 73 1HB LYS 15 2HB LYS 15 5.967 -15.773 8.072 74 2HB LYS 15 1HB LYS 15 4.803 -14.538 7.639 75 1HG LYS 15 2HG LYS 15 4.563 -17.087 6.177 76 2HG LYS 15 1HG LYS 15 4.180 -17.154 7.885 77 1HD LYS 15 2HD LYS 15 2.996 -14.830 6.638 78 2HD LYS 15 1HD LYS 15 2.494 -16.305 5.836 79 1HE LYS 15 2HE LYS 15 2.364 -15.913 8.819 80 2HE LYS 15 1HE LYS 15 1.018 -15.597 7.744 81 1HZ LYS 15 1HZ LYS 15 1.114 -17.872 7.032 82 2HZ LYS 15 2HZ LYS 15 2.387 -18.171 8.049 83 3HZ LYS 15 3HZ LYS 15 0.901 -17.789 8.673 84 H LYS 16 H LYS 16 3.996 -14.039 5.178 85 HA LYS 16 HA LYS 16 3.565 -15.998 3.060 86 1HB LYS 16 2HB LYS 16 1.781 -14.924 4.599 87 2HB LYS 16 1HB LYS 16 1.843 -13.605 3.448 88 1HG LYS 16 2HG LYS 16 0.098 -15.098 2.753 89 2HG LYS 16 1HG LYS 16 1.429 -15.274 1.627 90 1HD LYS 16 2HD LYS 16 1.254 -17.480 2.016 91 2HD LYS 16 1HD LYS 16 2.022 -17.140 3.554 92 1HE LYS 16 2HE LYS 16 0.176 -18.102 4.435 93 2HE LYS 16 1HE LYS 16 -0.574 -16.551 4.120 94 1HZ LYS 16 1HZ LYS 16 -1.298 -17.385 2.005 95 2HZ LYS 16 2HZ LYS 16 -0.589 -18.851 2.304 96 3HZ LYS 16 3HZ LYS 16 -1.865 -18.345 3.229 97 H PHE 17 H PHE 17 4.624 -12.717 3.478 98 HA PHE 17 HA PHE 17 4.697 -12.202 0.590 99 1HB PHE 17 2HB PHE 17 5.450 -10.702 3.080 100 2HB PHE 17 1HB PHE 17 5.791 -10.073 1.481 101 HD1 PHE 17 HD1 PHE 17 2.949 -11.418 3.461 102 HD2 PHE 17 HD2 PHE 17 4.246 -8.678 0.505 103 HE1 PHE 17 HE1 PHE 17 0.645 -10.443 3.352 104 HE2 PHE 17 HE2 PHE 17 1.943 -7.702 0.398 105 HZ PHE 17 HZ PHE 17 0.170 -8.597 1.822 106 H LYS 18 H LYS 18 6.304 -14.379 1.854 107 HA LYS 18 HA LYS 18 8.931 -13.941 2.261 108 1HB LYS 18 2HB LYS 18 7.503 -16.137 1.684 109 2HB LYS 18 1HB LYS 18 8.484 -16.015 0.238 110 1HG LYS 18 2HG LYS 18 9.933 -15.613 2.765 111 2HG LYS 18 1HG LYS 18 9.298 -17.227 2.522 112 1HD LYS 18 2HD LYS 18 10.900 -17.698 1.036 113 2HD LYS 18 1HD LYS 18 10.520 -16.265 0.103 114 1HE LYS 18 2HE LYS 18 11.857 -14.959 1.828 115 2HE LYS 18 1HE LYS 18 12.424 -16.509 2.417 116 1HZ LYS 18 1HZ LYS 18 13.272 -16.973 0.236 117 2HZ LYS 18 2HZ LYS 18 12.736 -15.509 -0.320 118 3HZ LYS 18 3HZ LYS 18 13.930 -15.573 0.825 119 H TYR 19 H TYR 19 7.408 -12.295 0.071 120 HA TYR 19 HA TYR 19 9.005 -12.400 -2.287 121 1HB TYR 19 2HB TYR 19 7.103 -11.201 -2.622 122 2HB TYR 19 1HB TYR 19 7.054 -10.641 -0.962 123 HD1 TYR 19 HD1 TYR 19 9.285 -10.173 -3.929 124 HD2 TYR 19 HD2 TYR 19 7.162 -8.354 -0.704 125 HE1 TYR 19 HE1 TYR 19 10.104 -7.890 -4.669 126 HE2 TYR 19 HE2 TYR 19 7.991 -6.077 -1.453 127 HH TYR 19 HH TYR 19 9.173 -5.001 -2.898 128 H ASP 20 H ASP 20 11.053 -11.889 -2.578 129 HA ASP 20 HA ASP 20 12.378 -10.117 -0.604 130 1HB ASP 20 2HB ASP 20 13.573 -12.140 -0.889 131 2HB ASP 20 1HB ASP 20 13.408 -12.069 -2.632 132 H GLY 21 H GLY 21 11.866 -8.088 -1.239 133 1HA GLY 21 2HA GLY 21 13.103 -7.203 -3.761 134 2HA GLY 21 1HA GLY 21 11.389 -6.895 -3.566 135 H GLU 22 H GLU 22 12.285 -4.659 -3.885 136 HA GLU 22 HA GLU 22 13.339 -3.562 -1.351 137 1HB GLU 22 2HB GLU 22 14.639 -3.010 -3.331 138 2HB GLU 22 1HB GLU 22 13.220 -2.301 -4.075 139 1HG GLU 22 2HG GLU 22 13.102 -0.647 -2.261 140 2HG GLU 22 1HG GLU 22 14.532 -1.351 -1.532 141 H ILE 23 H ILE 23 11.552 -3.492 -0.093 142 HA ILE 23 HA ILE 23 9.065 -2.431 -1.008 143 HB ILE 23 HB ILE 23 10.066 -3.637 1.327 144 1HG1 ILE 23 2HG1 ILE 23 7.199 -2.993 0.825 145 2HG1 ILE 23 1HG1 ILE 23 8.055 -4.165 -0.157 146 1HG2 ILE 23 1HG2 ILE 23 10.181 -1.436 2.348 147 2HG2 ILE 23 2HG2 ILE 23 8.476 -1.120 1.870 148 3HG2 ILE 23 3HG2 ILE 23 8.850 -2.400 3.076 149 1HD1 ILE 23 1HG1 ILE 23 8.639 -5.465 1.864 150 2HD1 ILE 23 2HG1 ILE 23 7.761 -4.263 2.871 151 3HD1 ILE 23 3HG1 ILE 23 6.859 -5.280 1.694 152 H ARG 24 H ARG 24 8.836 -0.487 -1.760 153 HA ARG 24 HA ARG 24 9.535 1.769 -0.048 154 1HB ARG 24 2HB ARG 24 11.619 1.464 -1.292 155 2HB ARG 24 1HB ARG 24 10.730 1.532 -2.800 156 1HG ARG 24 2HG ARG 24 11.590 3.706 -2.525 157 2HG ARG 24 1HG ARG 24 9.916 3.828 -2.020 158 1HD ARG 24 2HD ARG 24 10.905 3.301 0.354 159 2HD ARG 24 1HD ARG 24 12.395 3.887 -0.357 160 HE ARG 24 HE ARG 24 10.491 5.805 -1.024 161 1HH1 ARG 24 2HH1 ARG 24 11.743 4.417 2.004 162 2HH1 ARG 24 HH22 ARG 24 11.447 5.870 2.933 163 1HH2 ARG 24 1HH1 ARG 24 10.117 7.664 0.181 164 2HH2 ARG 24 2HH1 ARG 24 10.516 7.726 1.883 165 H VAL 25 H VAL 25 7.789 2.946 0.001 166 HA VAL 25 HA VAL 25 5.734 2.722 -1.968 167 HB VAL 25 HB VAL 25 5.216 3.244 0.306 168 1HG1 VAL 25 1HG1 VAL 25 7.232 4.468 0.926 169 2HG1 VAL 25 2HG1 VAL 25 6.726 5.834 -0.128 170 3HG1 VAL 25 3HG1 VAL 25 5.760 5.418 1.330 171 1HG2 VAL 25 1HG2 VAL 25 4.541 5.559 -1.529 172 2HG2 VAL 25 2HG2 VAL 25 3.633 4.014 -1.382 173 3HG2 VAL 25 3HG2 VAL 25 3.692 5.158 0.004 174 H LEU 26 H LEU 26 6.250 3.200 -3.987 175 HA LEU 26 HA LEU 26 7.695 5.693 -4.521 176 1HB LEU 26 2HB LEU 26 8.032 3.358 -5.633 177 2HB LEU 26 1HB LEU 26 6.746 3.920 -6.681 178 HG LEU 26 HG LEU 26 9.542 4.786 -6.480 179 1HD1 LEU 26 1HD1 LEU 26 8.840 3.368 -8.324 180 2HD1 LEU 26 2HD1 LEU 26 7.584 4.571 -8.778 181 3HD1 LEU 26 3HD1 LEU 26 9.326 4.991 -8.926 182 1HD2 LEU 26 1HD2 LEU 26 7.325 6.705 -7.231 183 2HD2 LEU 26 2HD2 LEU 26 8.420 6.834 -5.811 184 3HD2 LEU 26 3HD2 LEU 26 9.083 6.993 -7.474 185 H TYR 27 H TYR 27 4.629 4.138 -5.335 186 HA TYR 27 HA TYR 27 3.494 6.856 -5.834 187 1HB TYR 27 2HB TYR 27 2.197 5.856 -7.602 188 2HB TYR 27 1HB TYR 27 3.883 5.453 -7.862 189 HD1 TYR 27 HD1 TYR 27 0.563 4.173 -7.428 190 HD2 TYR 27 HD2 TYR 27 4.698 3.150 -7.160 191 HE1 TYR 27 HE1 TYR 27 -0.032 1.711 -7.525 192 HE2 TYR 27 HE2 TYR 27 4.088 0.689 -7.258 193 HH TYR 27 HH TYR 27 2.482 -0.740 -7.403 194 H SER 28 H SER 28 2.794 6.904 -3.636 195 HA SER 28 HA SER 28 1.088 4.840 -2.588 196 1HB SER 28 2HB SER 28 0.601 6.471 -0.798 197 2HB SER 28 1HB SER 28 2.316 6.217 -1.055 198 HG SER 28 HG SER 28 1.782 8.445 -0.837 199 H THR 29 H THR 29 -0.783 4.364 -3.440 200 HA THR 29 HA THR 29 -2.380 6.457 -4.714 201 HB THR 29 HB THR 29 -1.966 4.028 -5.573 202 HG1 THR 29 HG1 THR 29 -4.111 4.255 -6.479 203 1HG2 THR 29 1HG2 THR 29 -2.858 2.896 -3.464 204 2HG2 THR 29 2HG2 THR 29 -4.440 3.680 -3.802 205 3HG2 THR 29 3HG2 THR 29 -3.774 2.467 -4.950 206 H LYS 30 H LYS 30 -4.672 6.683 -4.272 207 HA LYS 30 HA LYS 30 -5.100 6.635 -1.354 208 1HB LYS 30 2HB LYS 30 -5.267 8.816 -2.379 209 2HB LYS 30 1HB LYS 30 -6.496 8.227 -3.479 210 1HG LYS 30 2HG LYS 30 -7.640 7.528 -1.163 211 2HG LYS 30 1HG LYS 30 -6.700 8.896 -0.602 212 1HD LYS 30 2HD LYS 30 -7.811 10.393 -2.029 213 2HD LYS 30 1HD LYS 30 -8.435 9.104 -3.038 214 1HE LYS 30 2HE LYS 30 -9.352 8.708 -0.361 215 2HE LYS 30 1HE LYS 30 -9.705 10.355 -0.844 216 1HZ LYS 30 1HZ LYS 30 -10.761 9.502 -2.806 217 2HZ LYS 30 2HZ LYS 30 -10.428 7.946 -2.350 218 3HZ LYS 30 3HZ LYS 30 -11.467 8.867 -1.449 219 H VAL 31 H VAL 31 -6.672 5.554 -0.377 220 HA VAL 31 HA VAL 31 -7.848 3.377 -1.832 221 HB VAL 31 HB VAL 31 -8.784 4.182 0.858 222 1HG1 VAL 31 1HG1 VAL 31 -9.755 2.187 -0.154 223 2HG1 VAL 31 2HG1 VAL 31 -8.109 1.506 -0.391 224 3HG1 VAL 31 3HG1 VAL 31 -8.748 1.753 1.271 225 1HG2 VAL 31 1HG2 VAL 31 -6.062 2.978 0.289 226 2HG2 VAL 31 2HG2 VAL 31 -6.385 4.612 0.967 227 3HG2 VAL 31 3HG2 VAL 31 -6.812 3.145 1.914 228 H THR 32 H THR 32 -9.511 3.425 -3.103 229 HA THR 32 HA THR 32 -11.243 5.730 -3.187 230 HB THR 32 HB THR 32 -11.371 3.100 -4.679 231 HG1 THR 32 HG1 THR 32 -10.257 4.483 -6.203 232 1HG2 THR 32 1HG2 THR 32 -13.508 4.494 -4.810 233 2HG2 THR 32 2HG2 THR 32 -12.489 5.868 -5.366 234 3HG2 THR 32 3HG2 THR 32 -12.626 4.385 -6.373 235 H THR 33 H THR 33 -13.238 6.039 -2.450 236 HA THR 33 HA THR 33 -14.151 4.751 -0.190 237 HB THR 33 HB THR 33 -14.994 6.927 -1.046 238 HG1 THR 33 HG1 THR 33 -17.172 6.352 -0.415 239 1HG2 THR 33 1HG2 THR 33 -15.383 6.192 -3.462 240 2HG2 THR 33 2HG2 THR 33 -16.711 5.145 -2.851 241 3HG2 THR 33 3HG2 THR 33 -16.832 6.932 -2.695 242 H SER 34 H SER 34 -14.039 3.535 -3.326 243 HA SER 34 HA SER 34 -16.149 1.541 -2.810 244 1HB SER 34 2HB SER 34 -16.426 2.188 -4.982 245 2HB SER 34 1HB SER 34 -14.715 2.476 -5.227 246 HG SER 34 HG SER 34 -15.461 0.615 -6.356 247 H ILE 35 H ILE 35 -13.304 1.852 -1.639 248 HA ILE 35 HA ILE 35 -11.940 -0.523 -2.498 249 HB ILE 35 HB ILE 35 -11.260 1.695 -1.081 250 1HG1 ILE 35 2HG1 ILE 35 -10.001 -0.340 -2.416 251 2HG1 ILE 35 1HG1 ILE 35 -9.233 1.078 -1.731 252 1HG2 ILE 35 1HG2 ILE 35 -12.160 0.815 0.996 253 2HG2 ILE 35 2HG2 ILE 35 -11.163 -0.669 0.806 254 3HG2 ILE 35 3HG2 ILE 35 -10.367 0.920 1.080 255 1HD1 ILE 35 1HG1 ILE 35 -8.855 -0.126 0.396 256 2HD1 ILE 35 2HG1 ILE 35 -9.643 -1.581 -0.307 257 3HD1 ILE 35 3HG1 ILE 35 -8.091 -0.982 -0.988 258 H THR 36 H THR 36 -11.269 -2.166 -0.749 259 HA THR 36 HA THR 36 -13.677 -3.559 -0.050 260 HB THR 36 HB THR 36 -11.750 -4.841 -0.721 261 HG1 THR 36 HG1 THR 36 -11.634 -6.109 1.241 262 1HG2 THR 36 1HG2 THR 36 -9.967 -3.205 0.101 263 2HG2 THR 36 2HG2 THR 36 -10.383 -3.710 1.776 264 3HG2 THR 36 3HG2 THR 36 -9.681 -4.901 0.626 265 H SER 37 H SER 37 -14.935 -3.290 1.607 266 HA SER 37 HA SER 37 -13.741 -2.140 4.073 267 1HB SER 37 2HB SER 37 -16.450 -1.654 4.231 268 2HB SER 37 1HB SER 37 -15.205 -0.482 3.849 269 HG SER 37 HG SER 37 -16.878 -0.529 2.270 270 H LYS 38 H LYS 38 -15.727 -4.554 2.603 271 HA LYS 38 HA LYS 38 -16.287 -5.714 5.264 272 1HB LYS 38 2HB LYS 38 -18.202 -6.650 4.457 273 2HB LYS 38 1HB LYS 38 -18.113 -5.210 3.463 274 1HG LYS 38 2HG LYS 38 -17.005 -6.536 1.692 275 2HG LYS 38 1HG LYS 38 -17.190 -7.971 2.680 276 1HD LYS 38 2HD LYS 38 -19.477 -8.056 2.368 277 2HD LYS 38 1HD LYS 38 -19.604 -6.336 2.063 278 1HE LYS 38 2HE LYS 38 -18.033 -7.170 -0.018 279 2HE LYS 38 1HE LYS 38 -19.114 -8.532 0.193 280 1HZ LYS 38 1HZ LYS 38 -20.959 -7.028 0.047 281 2HZ LYS 38 2HZ LYS 38 -19.937 -5.741 -0.152 282 3HZ LYS 38 3HZ LYS 38 -20.018 -6.920 -1.311 283 H LYS 39 H LYS 39 -15.131 -6.503 2.025 284 HA LYS 39 HA LYS 39 -14.282 -9.136 2.739 285 1HB LYS 39 2HB LYS 39 -14.568 -7.741 0.390 286 2HB LYS 39 1HB LYS 39 -12.838 -7.989 0.514 287 1HG LYS 39 2HG LYS 39 -14.874 -10.186 0.830 288 2HG LYS 39 1HG LYS 39 -14.050 -9.829 -0.674 289 1HD LYS 39 2HD LYS 39 -12.432 -10.291 1.789 290 2HD LYS 39 1HD LYS 39 -13.110 -11.669 0.947 291 1HE LYS 39 2HE LYS 39 -11.683 -11.461 -0.799 292 2HE LYS 39 1HE LYS 39 -11.770 -9.711 -0.786 293 1HZ LYS 39 1HZ LYS 39 -10.305 -9.701 1.095 294 2HZ LYS 39 2HZ LYS 39 -10.222 -11.354 1.083 295 3HZ LYS 39 3HZ LYS 39 -9.599 -10.485 -0.181 296 H TRP 40 H TRP 40 -12.650 -9.808 3.869 297 HA TRP 40 HA TRP 40 -10.202 -8.191 3.954 298 1HB TRP 40 2HB TRP 40 -11.769 -8.923 6.400 299 2HB TRP 40 1HB TRP 40 -10.099 -8.392 6.430 300 HD1 TRP 40 HD1 TRP 40 -12.992 -6.865 7.486 301 HE1 TRP 40 HE1 TRP 40 -9.486 -6.664 3.822 302 HE3 TRP 40 HE3 TRP 40 -13.214 -4.339 6.959 303 HZ2 TRP 40 HZ2 TRP 40 -9.070 -4.465 2.734 304 HZ3 TRP 40 HZ3 TRP 40 -12.004 -2.501 5.165 305 HH2 TRP 40 HH2 TRP 40 -10.262 -2.431 3.351 306 H GLY 41 H GLY 41 -8.468 -9.398 3.796 307 1HA GLY 41 2HA GLY 41 -8.803 -12.320 4.283 308 2HA GLY 41 1HA GLY 41 -7.821 -11.657 2.992 309 H THR 42 H THR 42 -6.892 -13.491 4.891 310 HA THR 42 HA THR 42 -5.576 -12.349 7.093 311 HB THR 42 HB THR 42 -5.909 -14.810 6.593 312 HG1 THR 42 HG1 THR 42 -3.835 -15.195 7.604 313 1HG2 THR 42 1HG2 THR 42 -4.884 -14.773 4.253 314 2HG2 THR 42 2HG2 THR 42 -3.315 -14.360 5.029 315 3HG2 THR 42 3HG2 THR 42 -4.094 -15.945 5.364 316 H ARG 43 H ARG 43 -4.681 -12.548 3.717 317 HA ARG 43 HA ARG 43 -2.124 -11.189 4.282 318 1HB ARG 43 2HB ARG 43 -3.118 -12.907 2.159 319 2HB ARG 43 1HB ARG 43 -2.286 -11.488 1.556 320 1HG ARG 43 2HG ARG 43 -0.491 -12.129 3.347 321 2HG ARG 43 1HG ARG 43 -1.233 -13.713 3.246 322 1HD ARG 43 2HD ARG 43 -0.361 -12.251 0.775 323 2HD ARG 43 1HD ARG 43 0.766 -13.227 1.695 324 HE ARG 43 HE ARG 43 -1.594 -14.754 1.206 325 1HH1 ARG 43 2HH1 ARG 43 1.225 -13.452 -0.529 326 2HH1 ARG 43 HH22 ARG 43 1.202 -14.704 -1.751 327 1HH2 ARG 43 1HH1 ARG 43 -1.612 -16.355 -0.369 328 2HH2 ARG 43 2HH1 ARG 43 -0.425 -16.363 -1.654 329 H ASP 44 H ASP 44 -5.147 -10.245 4.076 330 HA ASP 44 HA ASP 44 -4.637 -7.933 2.284 331 1HB ASP 44 2HB ASP 44 -6.885 -9.555 2.678 332 2HB ASP 44 1HB ASP 44 -7.267 -8.016 3.424 333 H LEU 45 H LEU 45 -5.441 -5.834 3.012 334 HA LEU 45 HA LEU 45 -4.795 -5.484 5.866 335 1HB LEU 45 2HB LEU 45 -3.711 -4.230 3.841 336 2HB LEU 45 1HB LEU 45 -5.103 -3.185 4.047 337 HG LEU 45 HG LEU 45 -4.410 -2.886 6.410 338 1HD1 LEU 45 1HD1 LEU 45 -3.033 -4.868 6.694 339 2HD1 LEU 45 2HD1 LEU 45 -1.871 -4.242 5.473 340 3HD1 LEU 45 3HD1 LEU 45 -2.080 -3.383 7.039 341 1HD2 LEU 45 1HD2 LEU 45 -2.474 -1.954 4.278 342 2HD2 LEU 45 2HD2 LEU 45 -4.012 -1.154 4.754 343 3HD2 LEU 45 3HD2 LEU 45 -2.645 -1.239 5.919 344 H GLN 46 H GLN 46 -6.058 -4.261 7.257 345 HA GLN 46 HA GLN 46 -8.908 -4.499 6.630 346 1HB GLN 46 2HB GLN 46 -8.208 -5.319 8.781 347 2HB GLN 46 1HB GLN 46 -7.501 -3.766 9.179 348 1HG GLN 46 2HG GLN 46 -9.487 -2.895 9.778 349 2HG GLN 46 1HG GLN 46 -10.301 -3.579 8.385 350 1HE2 GLN 46 1HE2 GLN 46 -8.399 -5.351 10.730 351 2HE2 GLN 46 2HE2 GLN 46 -9.702 -6.285 11.430 352 H VAL 47 H VAL 47 -7.311 -2.568 5.220 353 HA VAL 47 HA VAL 47 -7.750 0.039 6.269 354 HB VAL 47 HB VAL 47 -7.214 0.823 4.055 355 1HG1 VAL 47 1HG1 VAL 47 -5.367 0.143 5.496 356 2HG1 VAL 47 2HG1 VAL 47 -5.511 -1.542 4.886 357 3HG1 VAL 47 3HG1 VAL 47 -4.999 -0.224 3.775 358 1HG2 VAL 47 1HG2 VAL 47 -7.432 -2.076 3.203 359 2HG2 VAL 47 2HG2 VAL 47 -8.533 -0.737 2.724 360 3HG2 VAL 47 3HG2 VAL 47 -6.819 -0.729 2.182 361 H LYS 48 H LYS 48 -9.169 1.684 5.372 362 HA LYS 48 HA LYS 48 -11.815 0.496 4.769 363 1HB LYS 48 2HB LYS 48 -10.993 2.528 6.673 364 2HB LYS 48 1HB LYS 48 -12.368 3.001 5.695 365 1HG LYS 48 2HG LYS 48 -13.247 1.900 7.618 366 2HG LYS 48 1HG LYS 48 -13.414 0.781 6.281 367 1HD LYS 48 2HD LYS 48 -12.556 -0.542 8.019 368 2HD LYS 48 1HD LYS 48 -11.151 -0.168 7.043 369 1HE LYS 48 2HE LYS 48 -10.359 0.286 9.173 370 2HE LYS 48 1HE LYS 48 -10.916 1.869 8.669 371 1HZ LYS 48 1HZ LYS 48 -12.967 1.461 9.817 372 2HZ LYS 48 2HZ LYS 48 -12.441 -0.036 10.293 373 3HZ LYS 48 3HZ LYS 48 -11.686 1.326 10.858 374 HA PRO 49 HA PRO 49 -11.843 2.588 1.009 375 1HB PRO 49 2HB PRO 49 -14.548 2.956 0.629 376 2HB PRO 49 1HB PRO 49 -13.683 1.465 0.317 377 1HG PRO 49 2HG PRO 49 -15.508 2.117 2.509 378 2HG PRO 49 1HG PRO 49 -14.978 0.546 1.943 379 1HD PRO 49 2HD PRO 49 -14.082 1.929 4.257 380 2HD PRO 49 1HD PRO 49 -13.470 0.413 3.627 381 H GLY 50 H GLY 50 -11.350 4.574 0.443 382 1HA GLY 50 2HA GLY 50 -11.860 6.898 0.191 383 2HA GLY 50 1HA GLY 50 -12.886 6.820 1.610 384 H GLU 51 H GLU 51 -9.998 5.124 1.977 385 HA GLU 51 HA GLU 51 -8.883 7.360 3.571 386 1HB GLU 51 2HB GLU 51 -9.177 4.530 4.094 387 2HB GLU 51 1HB GLU 51 -7.533 5.084 4.340 388 1HG GLU 51 2HG GLU 51 -8.620 5.381 6.423 389 2HG GLU 51 1HG GLU 51 -8.525 6.979 5.712 390 H SER 52 H SER 52 -6.438 7.152 3.868 391 HA SER 52 HA SER 52 -5.282 6.795 1.157 392 1HB SER 52 2HB SER 52 -3.884 8.589 1.491 393 2HB SER 52 1HB SER 52 -5.331 9.112 2.330 394 HG SER 52 HG SER 52 -3.427 9.447 3.577 395 H LEU 53 H LEU 53 -3.713 5.402 0.832 396 HA LEU 53 HA LEU 53 -2.182 4.445 3.153 397 1HB LEU 53 2HB LEU 53 -2.928 2.375 3.165 398 2HB LEU 53 1HB LEU 53 -4.285 2.998 2.250 399 HG LEU 53 HG LEU 53 -1.937 1.450 1.306 400 1HD1 LEU 53 1HD1 LEU 53 -3.880 0.171 2.007 401 2HD1 LEU 53 2HD1 LEU 53 -4.919 1.131 0.897 402 3HD1 LEU 53 3HD1 LEU 53 -3.651 0.046 0.228 403 1HD2 LEU 53 1HD2 LEU 53 -3.769 3.103 -0.448 404 2HD2 LEU 53 2HD2 LEU 53 -2.013 3.374 -0.177 405 3HD2 LEU 53 3HD2 LEU 53 -2.573 1.896 -1.033 406 H GLU 54 H GLU 54 -0.212 3.374 2.618 407 HA GLU 54 HA GLU 54 0.999 4.636 0.294 408 1HB GLU 54 2HB GLU 54 1.940 3.446 2.760 409 2HB GLU 54 1HB GLU 54 2.907 2.977 1.376 410 1HG GLU 54 2HG GLU 54 3.976 4.932 1.718 411 2HG GLU 54 1HG GLU 54 2.582 5.648 0.933 412 H VAL 55 H VAL 55 1.519 3.782 -1.586 413 HA VAL 55 HA VAL 55 0.798 0.939 -1.972 414 HB VAL 55 HB VAL 55 0.702 3.332 -3.691 415 1HG1 VAL 55 1HG1 VAL 55 2.175 1.870 -4.975 416 2HG1 VAL 55 2HG1 VAL 55 1.002 0.521 -4.785 417 3HG1 VAL 55 3HG1 VAL 55 0.553 1.974 -5.744 418 1HG2 VAL 55 1HG2 VAL 55 -1.129 0.943 -3.338 419 2HG2 VAL 55 2HG2 VAL 55 -1.336 2.566 -2.591 420 3HG2 VAL 55 3HG2 VAL 55 -1.464 2.374 -4.374 421 H ILE 56 H ILE 56 2.274 -0.528 -2.305 422 HA ILE 56 HA ILE 56 5.044 0.389 -2.620 423 HB ILE 56 HB ILE 56 4.057 -2.375 -2.091 424 1HG1 ILE 56 2HG1 ILE 56 4.686 -0.148 -0.211 425 2HG1 ILE 56 1HG1 ILE 56 3.273 -1.182 -0.260 426 1HG2 ILE 56 1HG2 ILE 56 6.308 -2.338 -3.003 427 2HG2 ILE 56 2HG2 ILE 56 6.798 -1.135 -1.760 428 3HG2 ILE 56 3HG2 ILE 56 6.338 -2.802 -1.266 429 1HD1 ILE 56 1HG1 ILE 56 4.641 -3.122 0.430 430 2HD1 ILE 56 2HG1 ILE 56 6.091 -2.060 0.481 431 3HD1 ILE 56 3HG1 ILE 56 4.738 -1.789 1.633 432 H GLN 57 H GLN 57 5.440 -2.486 -3.713 433 HA GLN 57 HA GLN 57 5.243 -1.621 -6.520 434 1HB GLN 57 2HB GLN 57 6.820 -3.763 -5.154 435 2HB GLN 57 1HB GLN 57 6.657 -3.706 -6.897 436 1HG GLN 57 2HG GLN 57 7.514 -1.251 -5.432 437 2HG GLN 57 1HG GLN 57 8.682 -2.523 -5.728 438 1HE2 GLN 57 1HE2 GLN 57 7.035 0.156 -6.951 439 2HE2 GLN 57 2HE2 GLN 57 7.551 0.075 -8.621 440 H THR 58 H THR 58 4.470 -2.995 -8.171 441 HA THR 58 HA THR 58 1.972 -4.196 -7.483 442 HB THR 58 HB THR 58 2.117 -4.873 -9.992 443 HG1 THR 58 HG1 THR 58 3.917 -3.729 -10.953 444 1HG2 THR 58 1HG2 THR 58 1.020 -2.706 -9.202 445 2HG2 THR 58 2HG2 THR 58 2.645 -1.941 -9.282 446 3HG2 THR 58 3HG2 THR 58 1.862 -2.548 -10.783 447 H THR 59 H THR 59 1.529 -6.096 -6.709 448 HA THR 59 HA THR 59 3.467 -8.026 -6.110 449 HB THR 59 HB THR 59 0.476 -8.010 -6.218 450 HG1 THR 59 HG1 THR 59 1.012 -8.329 -3.963 451 1HG2 THR 59 1HG2 THR 59 1.211 -10.377 -6.840 452 2HG2 THR 59 2HG2 THR 59 2.234 -10.367 -5.362 453 3HG2 THR 59 3HG2 THR 59 0.445 -10.267 -5.217 454 H ASP 60 H ASP 60 0.830 -8.668 -8.376 455 HA ASP 60 HA ASP 60 2.736 -10.265 -10.003 456 1HB ASP 60 2HB ASP 60 0.930 -11.626 -9.351 457 2HB ASP 60 1HB ASP 60 -0.236 -10.354 -9.656 458 H ASP 61 H ASP 61 -0.375 -9.148 -11.067 459 HA ASP 61 HA ASP 61 0.973 -7.381 -13.053 460 1HB ASP 61 2HB ASP 61 -1.688 -8.704 -13.425 461 2HB ASP 61 1HB ASP 61 -0.689 -7.926 -14.636 462 H THR 62 H THR 62 -2.171 -8.011 -11.515 463 HA THR 62 HA THR 62 -2.528 -5.072 -11.294 464 HB THR 62 HB THR 62 -4.936 -6.801 -11.335 465 HG1 THR 62 HG1 THR 62 -4.598 -6.989 -13.642 466 1HG2 THR 62 1HG2 THR 62 -5.016 -4.251 -11.444 467 2HG2 THR 62 2HG2 THR 62 -4.088 -4.361 -12.980 468 3HG2 THR 62 3HG2 THR 62 -5.745 -5.053 -12.879 469 H LYS 63 H LYS 63 -1.189 -5.543 -9.332 470 HA LYS 63 HA LYS 63 -3.006 -5.653 -7.079 471 1HB LYS 63 2HB LYS 63 -2.698 -7.995 -7.269 472 2HB LYS 63 1HB LYS 63 -0.964 -7.813 -7.444 473 1HG LYS 63 2HG LYS 63 -1.231 -8.452 -5.206 474 2HG LYS 63 1HG LYS 63 -1.045 -6.712 -5.120 475 1HD LYS 63 2HD LYS 63 -2.926 -6.788 -3.874 476 2HD LYS 63 1HD LYS 63 -3.742 -6.947 -5.417 477 1HE LYS 63 2HE LYS 63 -2.723 -9.380 -4.005 478 2HE LYS 63 1HE LYS 63 -4.252 -8.666 -3.531 479 1HZ LYS 63 1HZ LYS 63 -4.998 -8.886 -5.786 480 2HZ LYS 63 2HZ LYS 63 -3.554 -9.560 -6.234 481 3HZ LYS 63 3HZ LYS 63 -4.550 -10.360 -5.180 482 H VAL 64 H VAL 64 -2.412 -4.323 -5.541 483 HA VAL 64 HA VAL 64 0.400 -3.375 -5.610 484 HB VAL 64 HB VAL 64 -0.359 -1.165 -5.068 485 1HG1 VAL 64 1HG1 VAL 64 -0.131 -1.715 -7.434 486 2HG1 VAL 64 2HG1 VAL 64 -1.830 -2.302 -7.461 487 3HG1 VAL 64 3HG1 VAL 64 -1.485 -0.561 -7.177 488 1HG2 VAL 64 1HG2 VAL 64 -3.166 -2.298 -5.217 489 2HG2 VAL 64 2HG2 VAL 64 -2.330 -1.709 -3.738 490 3HG2 VAL 64 3HG2 VAL 64 -2.748 -0.556 -5.053 491 H LEU 65 H LEU 65 1.509 -3.472 -3.807 492 HA LEU 65 HA LEU 65 0.128 -4.529 -1.453 493 1HB LEU 65 2HB LEU 65 1.970 -5.755 -1.547 494 2HB LEU 65 1HB LEU 65 2.847 -4.551 -2.469 495 HG LEU 65 HG LEU 65 3.208 -3.310 -0.365 496 1HD1 LEU 65 1HD1 LEU 65 1.359 -4.171 0.955 497 2HD1 LEU 65 2HD1 LEU 65 2.093 -5.812 0.923 498 3HD1 LEU 65 3HD1 LEU 65 2.924 -4.473 1.789 499 1HD2 LEU 65 1HD2 LEU 65 4.322 -6.122 -0.479 500 2HD2 LEU 65 2HD2 LEU 65 4.976 -4.675 -1.320 501 3HD2 LEU 65 3HD2 LEU 65 5.012 -4.764 0.475 502 H CYS 66 H CYS 66 -0.545 -3.399 0.176 503 HA CYS 66 HA CYS 66 0.163 -0.551 0.261 504 1HB CYS 66 2HB CYS 66 -2.082 -0.596 0.614 505 2HB CYS 66 1HB CYS 66 -2.041 -2.181 1.360 506 HG CYS 66 HG CYS 66 -2.839 -0.291 3.365 507 H ARG 67 H ARG 67 0.801 0.475 2.237 508 HA ARG 67 HA ARG 67 2.198 -1.347 4.112 509 1HB ARG 67 2HB ARG 67 3.630 -0.083 2.243 510 2HB ARG 67 1HB ARG 67 3.555 1.190 3.445 511 1HG ARG 67 2HG ARG 67 4.438 -0.370 5.134 512 2HG ARG 67 1HG ARG 67 4.542 -1.621 3.912 513 1HD ARG 67 2HD ARG 67 6.452 -0.778 3.055 514 2HD ARG 67 1HD ARG 67 5.869 0.871 3.148 515 HE ARG 67 HE ARG 67 6.532 -0.290 5.744 516 1HH1 ARG 67 2HH1 ARG 67 7.798 1.496 2.940 517 2HH1 ARG 67 HH22 ARG 67 9.136 2.186 3.831 518 1HH2 ARG 67 1HH1 ARG 67 8.255 0.604 6.877 519 2HH2 ARG 67 2HH1 ARG 67 9.393 1.671 6.085 520 H ASN 68 H ASN 68 2.373 -0.664 6.202 521 HA ASN 68 HA ASN 68 0.831 1.805 6.848 522 1HB ASN 68 2HB ASN 68 -0.098 -0.531 7.537 523 2HB ASN 68 1HB ASN 68 1.158 -0.475 8.756 524 1HD2 ASN 68 1HD2 ASN 68 -0.602 -0.569 10.265 525 2HD2 ASN 68 2HD2 ASN 68 -1.436 0.899 10.724 526 H GLU 69 H GLU 69 1.832 3.313 7.979 527 HA GLU 69 HA GLU 69 4.588 3.254 8.441 528 1HB GLU 69 2HB GLU 69 3.257 5.315 8.356 529 2HB GLU 69 1HB GLU 69 2.566 4.916 9.915 530 1HG GLU 69 2HG GLU 69 4.436 5.519 11.043 531 2HG GLU 69 1HG GLU 69 5.505 4.882 9.809 532 H GLU 70 H GLU 70 2.065 1.787 10.164 533 HA GLU 70 HA GLU 70 3.385 1.669 12.721 534 1HB GLU 70 2HB GLU 70 0.869 1.366 12.153 535 2HB GLU 70 1HB GLU 70 1.320 -0.307 11.894 536 1HG GLU 70 2HG GLU 70 0.742 -0.323 14.139 537 2HG GLU 70 1HG GLU 70 2.474 -0.072 14.223 538 H GLY 71 H GLY 71 4.100 0.334 9.817 539 1HA GLY 71 2HA GLY 71 5.894 -1.129 9.402 540 2HA GLY 71 1HA GLY 71 5.861 -1.646 11.076 541 H LYS 72 H LYS 72 2.842 -1.502 9.508 542 HA LYS 72 HA LYS 72 2.890 -4.446 9.172 543 1HB LYS 72 2HB LYS 72 1.327 -4.362 10.772 544 2HB LYS 72 1HB LYS 72 0.962 -2.675 10.472 545 1HG LYS 72 2HG LYS 72 -0.460 -3.213 8.645 546 2HG LYS 72 1HG LYS 72 0.104 -4.871 8.606 547 1HD LYS 72 2HD LYS 72 -1.969 -5.043 9.672 548 2HD LYS 72 1HD LYS 72 -0.837 -5.015 11.009 549 1HE LYS 72 2HE LYS 72 -1.219 -2.491 11.074 550 2HE LYS 72 1HE LYS 72 -2.585 -2.781 10.016 551 1HZ LYS 72 1HZ LYS 72 -3.484 -4.258 11.660 552 2HZ LYS 72 2HZ LYS 72 -2.193 -3.985 12.660 553 3HZ LYS 72 3HZ LYS 72 -3.242 -2.754 12.308 554 H TYR 73 H TYR 73 2.682 -5.222 7.237 555 HA TYR 73 HA TYR 73 1.840 -3.377 5.070 556 1HB TYR 73 2HB TYR 73 3.317 -5.999 5.191 557 2HB TYR 73 1HB TYR 73 2.887 -5.208 3.688 558 HD1 TYR 73 HD1 TYR 73 4.525 -4.264 6.917 559 HD2 TYR 73 HD2 TYR 73 4.589 -4.048 2.655 560 HE1 TYR 73 HE1 TYR 73 6.667 -2.908 7.010 561 HE2 TYR 73 HE2 TYR 73 6.731 -2.695 2.763 562 HH TYR 73 HH TYR 73 8.212 -1.810 4.053 563 H GLY 74 H GLY 74 0.526 -4.217 3.337 564 1HA GLY 74 2HA GLY 74 -1.055 -6.619 3.851 565 2HA GLY 74 1HA GLY 74 -1.947 -5.115 3.961 566 H TYR 75 H TYR 75 -2.500 -7.151 2.115 567 HA TYR 75 HA TYR 75 -1.503 -6.074 -0.471 568 1HB TYR 75 2HB TYR 75 -2.596 -8.631 0.576 569 2HB TYR 75 1HB TYR 75 -2.887 -8.256 -1.111 570 HD1 TYR 75 HD1 TYR 75 -1.042 -10.377 0.557 571 HD2 TYR 75 HD2 TYR 75 -0.377 -6.943 -1.890 572 HE1 TYR 75 HE1 TYR 75 1.266 -11.239 -0.039 573 HE2 TYR 75 HE2 TYR 75 1.930 -7.817 -2.477 574 HH TYR 75 HH TYR 75 3.354 -9.409 -2.192 575 H VAL 76 H VAL 76 -2.908 -5.495 -2.116 576 HA VAL 76 HA VAL 76 -5.773 -5.342 -1.436 577 HB VAL 76 HB VAL 76 -4.403 -3.204 -0.915 578 1HG1 VAL 76 1HG1 VAL 76 -3.240 -3.049 -3.052 579 2HG1 VAL 76 2HG1 VAL 76 -4.819 -2.928 -3.903 580 3HG1 VAL 76 3HG1 VAL 76 -4.292 -1.614 -2.794 581 1HG2 VAL 76 1HG2 VAL 76 -6.997 -3.118 -2.477 582 2HG2 VAL 76 2HG2 VAL 76 -6.827 -3.362 -0.704 583 3HG2 VAL 76 3HG2 VAL 76 -6.353 -1.794 -1.445 584 H LEU 77 H LEU 77 -6.984 -6.086 -2.986 585 HA LEU 77 HA LEU 77 -5.759 -6.760 -5.521 586 1HB LEU 77 2HB LEU 77 -7.661 -7.928 -4.062 587 2HB LEU 77 1HB LEU 77 -8.652 -7.054 -5.213 588 HG LEU 77 HG LEU 77 -6.776 -9.298 -5.657 589 1HD1 LEU 77 1HD1 LEU 77 -9.121 -9.832 -5.319 590 2HD1 LEU 77 2HD1 LEU 77 -9.574 -8.707 -6.646 591 3HD1 LEU 77 3HD1 LEU 77 -8.629 -10.193 -7.010 592 1HD2 LEU 77 1HD2 LEU 77 -7.623 -7.331 -7.796 593 2HD2 LEU 77 2HD2 LEU 77 -5.953 -7.599 -7.186 594 3HD2 LEU 77 3HD2 LEU 77 -6.800 -8.902 -8.089 595 H ARG 78 H ARG 78 -6.117 -5.940 -7.506 596 HA ARG 78 HA ARG 78 -6.583 -3.177 -7.703 597 1HB ARG 78 2HB ARG 78 -6.468 -3.428 -10.037 598 2HB ARG 78 1HB ARG 78 -5.454 -4.707 -9.400 599 1HG ARG 78 2HG ARG 78 -6.671 -6.170 -10.571 600 2HG ARG 78 1HG ARG 78 -8.034 -5.790 -9.539 601 1HD ARG 78 2HD ARG 78 -7.831 -3.701 -11.431 602 2HD ARG 78 1HD ARG 78 -7.687 -5.206 -12.316 603 HE ARG 78 HE ARG 78 -9.821 -5.568 -10.536 604 1HH1 ARG 78 2HH1 ARG 78 -9.054 -3.409 -13.257 605 2HH1 ARG 78 HH22 ARG 78 -10.729 -3.189 -13.713 606 1HH2 ARG 78 1HH1 ARG 78 -11.969 -5.278 -11.131 607 2HH2 ARG 78 2HH1 ARG 78 -12.394 -4.263 -12.491 608 H SER 79 H SER 79 -8.752 -5.812 -7.500 609 HA SER 79 HA SER 79 -11.006 -4.905 -8.843 610 1HB SER 79 2HB SER 79 -10.838 -7.081 -7.689 611 2HB SER 79 1HB SER 79 -11.009 -6.250 -6.156 612 HG SER 79 HG SER 79 -13.007 -7.096 -6.921 613 H TYR 80 H TYR 80 -10.277 -4.358 -5.409 614 HA TYR 80 HA TYR 80 -11.953 -1.891 -5.539 615 1HB TYR 80 2HB TYR 80 -12.109 -2.344 -3.046 616 2HB TYR 80 1HB TYR 80 -12.923 -3.497 -4.085 617 HD1 TYR 80 HD1 TYR 80 -9.970 -2.954 -1.944 618 HD2 TYR 80 HD2 TYR 80 -12.257 -5.789 -4.168 619 HE1 TYR 80 HE1 TYR 80 -8.683 -4.852 -0.861 620 HE2 TYR 80 HE2 TYR 80 -10.960 -7.678 -3.078 621 HH TYR 80 HH TYR 80 -9.403 -8.190 -1.680 622 H LEU 81 H LEU 81 -10.106 -0.682 -6.278 623 HA LEU 81 HA LEU 81 -8.665 0.483 -4.104 624 1HB LEU 81 2HB LEU 81 -6.950 -0.884 -3.988 625 2HB LEU 81 1HB LEU 81 -7.418 -1.715 -5.457 626 HG LEU 81 HG LEU 81 -6.370 0.397 -6.578 627 1HD1 LEU 81 1HD1 LEU 81 -5.917 1.629 -4.534 628 2HD1 LEU 81 2HD1 LEU 81 -4.896 0.275 -3.937 629 3HD1 LEU 81 3HD1 LEU 81 -4.383 1.222 -5.377 630 1HD2 LEU 81 1HD2 LEU 81 -4.736 -1.890 -5.456 631 2HD2 LEU 81 2HD2 LEU 81 -5.658 -1.887 -6.999 632 3HD2 LEU 81 3HD2 LEU 81 -4.233 -0.808 -6.802 633 H ALA 82 H ALA 82 -6.919 2.027 -5.021 634 HA ALA 82 HA ALA 82 -8.317 3.590 -7.048 635 1HB ALA 82 1HB ALA 82 -7.428 4.708 -5.057 636 2HB ALA 82 2HB ALA 82 -5.774 4.148 -5.487 637 3HB ALA 82 3HB ALA 82 -6.629 5.324 -6.546 638 H ASP 83 H ASP 83 -6.840 4.725 -8.700 639 HA ASP 83 HA ASP 83 -6.022 2.823 -10.594 640 1HB ASP 83 2HB ASP 83 -4.513 4.909 -11.317 641 2HB ASP 83 1HB ASP 83 -6.232 4.811 -11.644 Start of MODEL 18 1 H GLU 7 H1 GLU 7 2.671 -5.140 15.327 2 HA GLU 7 HA GLU 7 3.968 -3.924 13.819 3 1HB GLU 7 2HB GLU 7 4.934 -2.362 15.441 4 2HB GLU 7 1HB GLU 7 5.922 -3.657 16.085 5 1HG GLU 7 2HG GLU 7 6.181 -3.443 13.207 6 2HG GLU 7 1HG GLU 7 6.605 -1.944 14.009 7 H LYS 8 H LYS 8 3.677 -6.591 15.470 8 HA LYS 8 HA LYS 8 6.102 -7.955 14.604 9 1HB LYS 8 2HB LYS 8 3.650 -8.982 15.991 10 2HB LYS 8 1HB LYS 8 5.069 -9.945 15.631 11 1HG LYS 8 2HG LYS 8 6.206 -9.096 17.370 12 2HG LYS 8 1HG LYS 8 5.730 -7.456 16.979 13 1HD LYS 8 2HD LYS 8 3.520 -7.898 18.029 14 2HD LYS 8 1HD LYS 8 4.104 -9.478 18.512 15 1HE LYS 8 2HE LYS 8 5.435 -6.894 19.306 16 2HE LYS 8 1HE LYS 8 4.257 -7.724 20.303 17 1HZ LYS 8 1HZ LYS 8 5.689 -9.632 20.322 18 2HZ LYS 8 2HZ LYS 8 6.802 -8.847 19.380 19 3HZ LYS 8 3HZ LYS 8 6.486 -8.306 20.913 20 H GLU 9 H GLU 9 3.201 -7.029 13.268 21 HA GLU 9 HA GLU 9 2.599 -9.226 11.592 22 1HB GLU 9 2HB GLU 9 1.806 -6.450 11.787 23 2HB GLU 9 1HB GLU 9 1.872 -7.011 10.129 24 1HG GLU 9 2HG GLU 9 0.608 -8.892 11.989 25 2HG GLU 9 1HG GLU 9 -0.250 -7.375 11.803 26 H GLU 10 H GLU 10 5.083 -6.857 11.502 27 HA GLU 10 HA GLU 10 5.723 -6.963 8.749 28 1HB GLU 10 2HB GLU 10 6.641 -5.240 10.162 29 2HB GLU 10 1HB GLU 10 7.505 -6.434 11.109 30 1HG GLU 10 2HG GLU 10 8.573 -7.095 8.832 31 2HG GLU 10 1HG GLU 10 8.035 -5.510 8.315 32 H LYS 11 H LYS 11 6.724 -8.930 11.486 33 HA LYS 11 HA LYS 11 8.547 -10.520 9.944 34 1HB LYS 11 2HB LYS 11 7.291 -11.180 12.587 35 2HB LYS 11 1HB LYS 11 8.723 -11.915 11.894 36 1HG LYS 11 2HG LYS 11 8.876 -9.004 12.042 37 2HG LYS 11 1HG LYS 11 8.712 -9.770 13.609 38 1HD LYS 11 2HD LYS 11 10.585 -11.358 12.710 39 2HD LYS 11 1HD LYS 11 10.903 -10.040 11.601 40 1HE LYS 11 2HE LYS 11 10.601 -8.953 14.215 41 2HE LYS 11 1HE LYS 11 11.730 -10.290 14.302 42 1HZ LYS 11 1HZ LYS 11 12.970 -9.296 12.523 43 2HZ LYS 11 2HZ LYS 11 11.903 -8.033 12.441 44 3HZ LYS 11 3HZ LYS 11 12.836 -8.242 13.793 45 H ASP 12 H ASP 12 5.165 -10.649 10.725 46 HA ASP 12 HA ASP 12 4.754 -13.333 9.726 47 1HB ASP 12 2HB ASP 12 3.268 -11.814 11.289 48 2HB ASP 12 1HB ASP 12 2.581 -11.313 9.758 49 H PHE 13 H PHE 13 4.731 -10.083 8.461 50 HA PHE 13 HA PHE 13 3.374 -10.541 6.013 51 1HB PHE 13 2HB PHE 13 3.711 -8.322 6.558 52 2HB PHE 13 1HB PHE 13 5.356 -8.602 7.092 53 HD1 PHE 13 HD1 PHE 13 7.178 -8.734 5.468 54 HD2 PHE 13 HD2 PHE 13 3.221 -7.816 4.276 55 HE1 PHE 13 HE1 PHE 13 8.034 -7.899 3.268 56 HE2 PHE 13 HE2 PHE 13 4.077 -6.982 2.076 57 HZ PHE 13 HZ PHE 13 6.474 -7.032 1.599 58 H ARG 14 H ARG 14 6.855 -10.419 6.735 59 HA ARG 14 HA ARG 14 7.731 -11.174 4.156 60 1HB ARG 14 2HB ARG 14 9.860 -11.721 5.217 61 2HB ARG 14 1HB ARG 14 9.234 -10.201 5.822 62 1HG ARG 14 2HG ARG 14 8.436 -11.275 7.836 63 2HG ARG 14 1HG ARG 14 8.889 -12.851 7.217 64 1HD ARG 14 2HD ARG 14 10.984 -10.739 7.439 65 2HD ARG 14 1HD ARG 14 10.469 -11.575 8.891 66 HE ARG 14 HE ARG 14 10.947 -13.583 7.005 67 1HH1 ARG 14 2HH1 ARG 14 12.850 -11.017 8.568 68 2HH1 ARG 14 HH22 ARG 14 14.356 -11.901 8.461 69 1HH2 ARG 14 1HH1 ARG 14 12.887 -14.709 6.873 70 2HH2 ARG 14 2HH1 ARG 14 14.371 -14.016 7.489 71 H LYS 15 H LYS 15 6.554 -12.995 6.861 72 HA LYS 15 HA LYS 15 7.551 -15.531 6.226 73 1HB LYS 15 2HB LYS 15 6.552 -15.653 8.232 74 2HB LYS 15 1HB LYS 15 5.306 -14.500 7.800 75 1HG LYS 15 2HG LYS 15 5.100 -16.996 6.313 76 2HG LYS 15 1HG LYS 15 4.959 -17.222 8.044 77 1HD LYS 15 2HD LYS 15 3.095 -15.782 8.189 78 2HD LYS 15 1HD LYS 15 3.391 -15.108 6.599 79 1HE LYS 15 2HE LYS 15 2.586 -17.017 5.507 80 2HE LYS 15 1HE LYS 15 2.770 -18.021 6.932 81 1HZ LYS 15 1HZ LYS 15 0.996 -16.803 7.960 82 2HZ LYS 15 2HZ LYS 15 0.821 -15.854 6.614 83 3HZ LYS 15 3HZ LYS 15 0.484 -17.474 6.535 84 H LYS 16 H LYS 16 4.407 -14.158 5.322 85 HA LYS 16 HA LYS 16 4.104 -16.220 3.280 86 1HB LYS 16 2HB LYS 16 2.267 -15.209 4.822 87 2HB LYS 16 1HB LYS 16 2.191 -13.971 3.585 88 1HG LYS 16 2HG LYS 16 1.311 -15.386 2.029 89 2HG LYS 16 1HG LYS 16 2.188 -16.774 2.644 90 1HD LYS 16 2HD LYS 16 0.507 -16.244 4.719 91 2HD LYS 16 1HD LYS 16 -0.483 -15.779 3.350 92 1HE LYS 16 2HE LYS 16 -0.491 -17.926 2.459 93 2HE LYS 16 1HE LYS 16 0.979 -18.386 3.295 94 1HZ LYS 16 1HZ LYS 16 -0.238 -18.365 5.346 95 2HZ LYS 16 2HZ LYS 16 -1.627 -17.930 4.556 96 3HZ LYS 16 3HZ LYS 16 -0.940 -19.409 4.270 97 H PHE 17 H PHE 17 4.993 -12.892 3.583 98 HA PHE 17 HA PHE 17 4.907 -12.409 0.691 99 1HB PHE 17 2HB PHE 17 5.737 -10.865 3.129 100 2HB PHE 17 1HB PHE 17 5.989 -10.241 1.512 101 HD1 PHE 17 HD1 PHE 17 3.184 -11.883 3.324 102 HD2 PHE 17 HD2 PHE 17 4.458 -8.658 0.896 103 HE1 PHE 17 HE1 PHE 17 0.853 -10.971 3.312 104 HE2 PHE 17 HE2 PHE 17 2.127 -7.746 0.884 105 HZ PHE 17 HZ PHE 17 0.352 -8.913 2.092 106 H LYS 18 H LYS 18 6.628 -14.542 1.813 107 HA LYS 18 HA LYS 18 9.257 -14.061 2.118 108 1HB LYS 18 2HB LYS 18 7.734 -16.213 1.018 109 2HB LYS 18 1HB LYS 18 9.266 -16.064 0.180 110 1HG LYS 18 2HG LYS 18 8.975 -16.178 3.178 111 2HG LYS 18 1HG LYS 18 9.369 -17.557 2.172 112 1HD LYS 18 2HD LYS 18 11.039 -15.120 1.879 113 2HD LYS 18 1HD LYS 18 11.256 -16.084 3.326 114 1HE LYS 18 2HE LYS 18 11.297 -17.305 0.580 115 2HE LYS 18 1HE LYS 18 12.743 -16.663 1.333 116 1HZ LYS 18 1HZ LYS 18 12.397 -18.157 3.159 117 2HZ LYS 18 2HZ LYS 18 11.031 -18.763 2.448 118 3HZ LYS 18 3HZ LYS 18 12.508 -18.999 1.738 119 H TYR 19 H TYR 19 7.593 -12.391 0.038 120 HA TYR 19 HA TYR 19 9.113 -12.364 -2.373 121 1HB TYR 19 2HB TYR 19 7.150 -11.235 -2.600 122 2HB TYR 19 1HB TYR 19 7.151 -10.710 -0.929 123 HD1 TYR 19 HD1 TYR 19 9.317 -10.114 -3.920 124 HD2 TYR 19 HD2 TYR 19 7.115 -8.421 -0.680 125 HE1 TYR 19 HE1 TYR 19 10.024 -7.789 -4.646 126 HE2 TYR 19 HE2 TYR 19 7.829 -6.101 -1.417 127 HH TYR 19 HH TYR 19 8.959 -4.961 -2.855 128 H ASP 20 H ASP 20 11.139 -11.781 -2.699 129 HA ASP 20 HA ASP 20 12.454 -10.011 -0.718 130 1HB ASP 20 2HB ASP 20 13.428 -11.980 -2.733 131 2HB ASP 20 1HB ASP 20 14.489 -10.694 -2.195 132 H GLY 21 H GLY 21 11.856 -7.984 -1.283 133 1HA GLY 21 2HA GLY 21 12.982 -6.991 -3.816 134 2HA GLY 21 1HA GLY 21 11.266 -6.749 -3.560 135 H GLU 22 H GLU 22 12.076 -4.477 -3.846 136 HA GLU 22 HA GLU 22 13.171 -3.409 -1.317 137 1HB GLU 22 2HB GLU 22 14.084 -2.871 -3.726 138 2HB GLU 22 1HB GLU 22 12.796 -1.683 -3.695 139 1HG GLU 22 2HG GLU 22 13.964 -1.362 -1.230 140 2HG GLU 22 1HG GLU 22 15.338 -1.712 -2.260 141 H ILE 23 H ILE 23 11.411 -3.462 -0.011 142 HA ILE 23 HA ILE 23 8.866 -2.460 -0.816 143 HB ILE 23 HB ILE 23 9.914 -3.784 1.381 144 1HG1 ILE 23 2HG1 ILE 23 7.073 -2.897 1.125 145 2HG1 ILE 23 1HG1 ILE 23 7.770 -4.116 0.077 146 1HG2 ILE 23 1HG2 ILE 23 10.282 -1.674 2.527 147 2HG2 ILE 23 2HG2 ILE 23 8.572 -1.207 2.228 148 3HG2 ILE 23 3HG2 ILE 23 8.950 -2.592 3.310 149 1HD1 ILE 23 1HG1 ILE 23 8.369 -5.494 2.040 150 2HD1 ILE 23 2HG1 ILE 23 7.653 -4.244 3.115 151 3HD1 ILE 23 3HG1 ILE 23 6.602 -5.164 1.983 152 H ARG 24 H ARG 24 8.543 -0.505 -1.501 153 HA ARG 24 HA ARG 24 9.217 1.725 0.256 154 1HB ARG 24 2HB ARG 24 10.398 3.004 -1.453 155 2HB ARG 24 1HB ARG 24 11.267 1.532 -1.067 156 1HG ARG 24 2HG ARG 24 11.087 0.776 -3.169 157 2HG ARG 24 1HG ARG 24 9.367 1.110 -3.210 158 1HD ARG 24 2HD ARG 24 10.252 2.490 -4.896 159 2HD ARG 24 1HD ARG 24 10.050 3.571 -3.532 160 HE ARG 24 HE ARG 24 12.685 2.294 -3.712 161 1HH1 ARG 24 2HH1 ARG 24 10.718 5.135 -4.560 162 2HH1 ARG 24 HH22 ARG 24 12.106 6.174 -4.796 163 1HH2 ARG 24 1HH1 ARG 24 14.458 3.641 -4.019 164 2HH2 ARG 24 2HH1 ARG 24 14.244 5.314 -4.485 165 H VAL 25 H VAL 25 7.996 3.537 -0.075 166 HA VAL 25 HA VAL 25 5.679 3.089 -1.840 167 HB VAL 25 HB VAL 25 6.048 5.159 0.285 168 1HG1 VAL 25 1HG1 VAL 25 4.344 5.769 -1.349 169 2HG1 VAL 25 2HG1 VAL 25 3.558 4.167 -1.128 170 3HG1 VAL 25 3HG1 VAL 25 3.591 5.348 0.228 171 1HG2 VAL 25 1HG2 VAL 25 4.700 2.452 0.474 172 2HG2 VAL 25 2HG2 VAL 25 6.226 2.943 1.288 173 3HG2 VAL 25 3HG2 VAL 25 4.673 3.725 1.743 174 H LEU 26 H LEU 26 6.220 3.615 -3.844 175 HA LEU 26 HA LEU 26 7.648 6.137 -4.297 176 1HB LEU 26 2HB LEU 26 8.057 3.845 -5.454 177 2HB LEU 26 1HB LEU 26 6.759 4.381 -6.502 178 HG LEU 26 HG LEU 26 9.526 5.322 -6.277 179 1HD1 LEU 26 1HD1 LEU 26 8.862 3.929 -8.153 180 2HD1 LEU 26 2HD1 LEU 26 7.575 5.110 -8.581 181 3HD1 LEU 26 3HD1 LEU 26 9.306 5.577 -8.718 182 1HD2 LEU 26 1HD2 LEU 26 7.264 7.202 -6.987 183 2HD2 LEU 26 2HD2 LEU 26 8.356 7.327 -5.564 184 3HD2 LEU 26 3HD2 LEU 26 9.015 7.538 -7.224 185 H TYR 27 H TYR 27 4.613 4.558 -5.173 186 HA TYR 27 HA TYR 27 3.452 7.269 -5.653 187 1HB TYR 27 2HB TYR 27 2.169 6.259 -7.431 188 2HB TYR 27 1HB TYR 27 3.864 5.900 -7.692 189 HD1 TYR 27 HD1 TYR 27 0.576 4.536 -7.284 190 HD2 TYR 27 HD2 TYR 27 4.733 3.607 -7.011 191 HE1 TYR 27 HE1 TYR 27 0.039 2.060 -7.409 192 HE2 TYR 27 HE2 TYR 27 4.181 1.136 -7.137 193 HH TYR 27 HH TYR 27 2.611 -0.330 -7.302 194 H SER 28 H SER 28 2.720 7.310 -3.475 195 HA SER 28 HA SER 28 1.054 5.218 -2.425 196 1HB SER 28 2HB SER 28 0.483 6.878 -0.675 197 2HB SER 28 1HB SER 28 2.205 6.637 -0.884 198 HG SER 28 HG SER 28 1.646 8.864 -0.721 199 H THR 29 H THR 29 -0.815 4.679 -3.237 200 HA THR 29 HA THR 29 -2.460 6.727 -4.545 201 HB THR 29 HB THR 29 -1.907 4.297 -5.407 202 HG1 THR 29 HG1 THR 29 -3.982 4.528 -6.463 203 1HG2 THR 29 1HG2 THR 29 -2.945 3.143 -3.378 204 2HG2 THR 29 2HG2 THR 29 -4.501 3.927 -3.822 205 3HG2 THR 29 3HG2 THR 29 -3.751 2.726 -4.930 206 H LYS 30 H LYS 30 -4.764 6.843 -4.137 207 HA LYS 30 HA LYS 30 -5.242 6.676 -1.229 208 1HB LYS 30 2HB LYS 30 -5.448 8.860 -2.559 209 2HB LYS 30 1HB LYS 30 -6.969 8.197 -3.123 210 1HG LYS 30 2HG LYS 30 -7.429 7.779 -0.596 211 2HG LYS 30 1HG LYS 30 -6.170 8.972 -0.346 212 1HD LYS 30 2HD LYS 30 -8.075 9.846 -2.342 213 2HD LYS 30 1HD LYS 30 -8.863 9.483 -0.819 214 1HE LYS 30 2HE LYS 30 -6.382 10.991 -0.503 215 2HE LYS 30 1HE LYS 30 -7.599 11.847 -1.428 216 1HZ LYS 30 1HZ LYS 30 -9.145 11.470 0.350 217 2HZ LYS 30 2HZ LYS 30 -7.994 10.661 1.223 218 3HZ LYS 30 3HZ LYS 30 -7.810 12.276 0.907 219 H VAL 31 H VAL 31 -6.835 5.541 -0.329 220 HA VAL 31 HA VAL 31 -7.897 3.374 -1.888 221 HB VAL 31 HB VAL 31 -8.950 4.043 0.790 222 1HG1 VAL 31 1HG1 VAL 31 -9.771 2.034 -0.323 223 2HG1 VAL 31 2HG1 VAL 31 -8.081 1.451 -0.516 224 3HG1 VAL 31 3HG1 VAL 31 -8.796 1.606 1.126 225 1HG2 VAL 31 1HG2 VAL 31 -6.146 3.009 0.293 226 2HG2 VAL 31 2HG2 VAL 31 -6.586 4.598 1.008 227 3HG2 VAL 31 3HG2 VAL 31 -6.967 3.079 1.891 228 H THR 32 H THR 32 -9.575 3.351 -3.145 229 HA THR 32 HA THR 32 -11.340 5.630 -3.265 230 HB THR 32 HB THR 32 -10.992 3.088 -4.802 231 HG1 THR 32 HG1 THR 32 -10.785 4.804 -6.381 232 1HG2 THR 32 1HG2 THR 32 -13.513 3.444 -4.585 233 2HG2 THR 32 2HG2 THR 32 -13.253 5.117 -5.193 234 3HG2 THR 32 3HG2 THR 32 -12.892 3.709 -6.252 235 H THR 33 H THR 33 -13.306 5.938 -2.488 236 HA THR 33 HA THR 33 -14.226 4.625 -0.250 237 HB THR 33 HB THR 33 -15.070 6.807 -1.076 238 HG1 THR 33 HG1 THR 33 -17.252 6.223 -0.467 239 1HG2 THR 33 1HG2 THR 33 -15.443 6.110 -3.504 240 2HG2 THR 33 2HG2 THR 33 -16.775 5.053 -2.918 241 3HG2 THR 33 3HG2 THR 33 -16.896 6.838 -2.735 242 H SER 34 H SER 34 -14.124 3.447 -3.403 243 HA SER 34 HA SER 34 -16.229 1.445 -2.901 244 1HB SER 34 2HB SER 34 -16.381 1.139 -5.139 245 2HB SER 34 1HB SER 34 -15.717 2.760 -5.153 246 HG SER 34 HG SER 34 -14.588 1.338 -6.567 247 H ILE 35 H ILE 35 -13.369 1.750 -1.752 248 HA ILE 35 HA ILE 35 -12.020 -0.625 -2.639 249 HB ILE 35 HB ILE 35 -11.350 1.590 -1.168 250 1HG1 ILE 35 2HG1 ILE 35 -10.096 -0.293 -2.683 251 2HG1 ILE 35 1HG1 ILE 35 -9.317 1.061 -1.890 252 1HG2 ILE 35 1HG2 ILE 35 -12.136 0.577 0.896 253 2HG2 ILE 35 2HG2 ILE 35 -11.110 -0.866 0.584 254 3HG2 ILE 35 3HG2 ILE 35 -10.344 0.728 0.909 255 1HD1 ILE 35 1HG1 ILE 35 -8.867 -0.335 0.101 256 2HD1 ILE 35 2HG1 ILE 35 -9.666 -1.724 -0.713 257 3HD1 ILE 35 3HG1 ILE 35 -8.139 -1.049 -1.379 258 H THR 36 H THR 36 -11.334 -2.284 -0.920 259 HA THR 36 HA THR 36 -13.740 -3.664 -0.185 260 HB THR 36 HB THR 36 -11.835 -4.954 -0.905 261 HG1 THR 36 HG1 THR 36 -11.692 -6.242 1.043 262 1HG2 THR 36 1HG2 THR 36 -10.024 -3.342 -0.102 263 2HG2 THR 36 2HG2 THR 36 -10.412 -3.858 1.576 264 3HG2 THR 36 3HG2 THR 36 -9.743 -5.044 0.403 265 H SER 37 H SER 37 -14.952 -3.438 1.514 266 HA SER 37 HA SER 37 -13.705 -2.287 3.954 267 1HB SER 37 2HB SER 37 -16.329 -1.749 4.292 268 2HB SER 37 1HB SER 37 -15.170 -0.620 3.621 269 HG SER 37 HG SER 37 -17.045 -0.837 2.306 270 H LYS 38 H LYS 38 -15.706 -4.713 2.524 271 HA LYS 38 HA LYS 38 -16.167 -5.899 5.194 272 1HB LYS 38 2HB LYS 38 -18.117 -6.802 4.465 273 2HB LYS 38 1HB LYS 38 -18.049 -5.392 3.426 274 1HG LYS 38 2HG LYS 38 -17.187 -6.693 1.603 275 2HG LYS 38 1HG LYS 38 -16.985 -8.096 2.633 276 1HD LYS 38 2HD LYS 38 -18.989 -8.695 1.755 277 2HD LYS 38 1HD LYS 38 -19.616 -7.624 2.992 278 1HE LYS 38 2HE LYS 38 -19.722 -5.791 1.399 279 2HE LYS 38 1HE LYS 38 -18.992 -6.793 0.161 280 1HZ LYS 38 1HZ LYS 38 -20.886 -8.239 0.283 281 2HZ LYS 38 2HZ LYS 38 -21.576 -7.292 1.453 282 3HZ LYS 38 3HZ LYS 38 -21.362 -6.694 -0.076 283 H LYS 39 H LYS 39 -15.126 -6.652 1.909 284 HA LYS 39 HA LYS 39 -14.234 -9.285 2.570 285 1HB LYS 39 2HB LYS 39 -14.572 -7.817 0.239 286 2HB LYS 39 1HB LYS 39 -12.860 -8.184 0.303 287 1HG LYS 39 2HG LYS 39 -13.914 -9.995 -0.841 288 2HG LYS 39 1HG LYS 39 -13.493 -10.580 0.757 289 1HD LYS 39 2HD LYS 39 -15.682 -11.342 0.479 290 2HD LYS 39 1HD LYS 39 -15.893 -9.869 1.405 291 1HE LYS 39 2HE LYS 39 -17.497 -9.655 -0.277 292 2HE LYS 39 1HE LYS 39 -16.150 -8.728 -0.908 293 1HZ LYS 39 1HZ LYS 39 -15.500 -10.634 -2.187 294 2HZ LYS 39 2HZ LYS 39 -16.773 -11.510 -1.591 295 3HZ LYS 39 3HZ LYS 39 -17.053 -10.194 -2.556 296 H TRP 40 H TRP 40 -12.539 -9.965 3.601 297 HA TRP 40 HA TRP 40 -10.112 -8.315 3.621 298 1HB TRP 40 2HB TRP 40 -11.569 -9.118 6.111 299 2HB TRP 40 1HB TRP 40 -9.904 -8.572 6.087 300 HD1 TRP 40 HD1 TRP 40 -12.764 -7.095 7.292 301 HE1 TRP 40 HE1 TRP 40 -9.415 -6.783 3.493 302 HE3 TRP 40 HE3 TRP 40 -13.029 -4.561 6.831 303 HZ2 TRP 40 HZ2 TRP 40 -9.063 -4.557 2.435 304 HZ3 TRP 40 HZ3 TRP 40 -11.911 -2.674 5.029 305 HH2 TRP 40 HH2 TRP 40 -10.247 -2.547 3.148 306 H GLY 41 H GLY 41 -8.318 -9.476 3.526 307 1HA GLY 41 2HA GLY 41 -8.630 -12.424 3.843 308 2HA GLY 41 1HA GLY 41 -7.629 -11.684 2.609 309 H THR 42 H THR 42 -6.743 -13.605 4.466 310 HA THR 42 HA THR 42 -5.467 -12.517 6.727 311 HB THR 42 HB THR 42 -5.763 -14.925 6.415 312 HG1 THR 42 HG1 THR 42 -3.536 -15.389 6.961 313 1HG2 THR 42 1HG2 THR 42 -5.277 -14.996 3.908 314 2HG2 THR 42 2HG2 THR 42 -3.559 -14.643 4.307 315 3HG2 THR 42 3HG2 THR 42 -4.313 -16.179 4.859 316 H ARG 43 H ARG 43 -4.512 -12.673 3.367 317 HA ARG 43 HA ARG 43 -1.934 -11.390 3.996 318 1HB ARG 43 2HB ARG 43 -2.970 -12.987 1.790 319 2HB ARG 43 1HB ARG 43 -2.059 -11.584 1.268 320 1HG ARG 43 2HG ARG 43 -0.486 -12.564 3.279 321 2HG ARG 43 1HG ARG 43 -1.134 -14.033 2.577 322 1HD ARG 43 2HD ARG 43 0.586 -11.941 1.307 323 2HD ARG 43 1HD ARG 43 0.782 -13.682 1.300 324 HE ARG 43 HE ARG 43 -0.847 -12.091 -0.533 325 1HH1 ARG 43 2HH1 ARG 43 -0.324 -15.323 0.859 326 2HH1 ARG 43 HH22 ARG 43 -1.116 -16.152 -0.463 327 1HH2 ARG 43 1HH1 ARG 43 -1.861 -13.168 -2.223 328 2HH2 ARG 43 2HH1 ARG 43 -1.994 -14.912 -2.226 329 H ASP 44 H ASP 44 -4.931 -10.360 3.798 330 HA ASP 44 HA ASP 44 -4.323 -7.982 2.121 331 1HB ASP 44 2HB ASP 44 -6.367 -8.523 1.346 332 2HB ASP 44 1HB ASP 44 -6.757 -9.474 2.765 333 H LEU 45 H LEU 45 -5.139 -5.909 2.923 334 HA LEU 45 HA LEU 45 -4.583 -5.706 5.809 335 1HB LEU 45 2HB LEU 45 -3.592 -4.300 3.714 336 2HB LEU 45 1HB LEU 45 -4.837 -3.230 4.324 337 HG LEU 45 HG LEU 45 -3.803 -3.158 6.463 338 1HD1 LEU 45 1HD1 LEU 45 -3.003 -5.446 6.637 339 2HD1 LEU 45 2HD1 LEU 45 -1.764 -5.114 5.376 340 3HD1 LEU 45 3HD1 LEU 45 -1.670 -4.285 6.969 341 1HD2 LEU 45 1HD2 LEU 45 -1.773 -2.710 4.263 342 2HD2 LEU 45 2HD2 LEU 45 -3.018 -1.542 4.827 343 3HD2 LEU 45 3HD2 LEU 45 -1.679 -2.030 5.924 344 H GLN 46 H GLN 46 -5.848 -4.371 7.169 345 HA GLN 46 HA GLN 46 -8.689 -4.666 6.522 346 1HB GLN 46 2HB GLN 46 -8.034 -5.408 8.702 347 2HB GLN 46 1HB GLN 46 -7.298 -3.858 9.056 348 1HG GLN 46 2HG GLN 46 -9.306 -2.837 9.437 349 2HG GLN 46 1HG GLN 46 -10.155 -3.837 8.275 350 1HE2 GLN 46 1HE2 GLN 46 -10.470 -6.113 8.820 351 2HE2 GLN 46 2HE2 GLN 46 -10.815 -6.540 10.481 352 H VAL 47 H VAL 47 -7.155 -2.780 5.029 353 HA VAL 47 HA VAL 47 -7.571 -0.138 5.978 354 HB VAL 47 HB VAL 47 -7.124 0.555 3.716 355 1HG1 VAL 47 1HG1 VAL 47 -5.218 -0.079 5.100 356 2HG1 VAL 47 2HG1 VAL 47 -5.394 -1.785 4.561 357 3HG1 VAL 47 3HG1 VAL 47 -4.927 -0.513 3.380 358 1HG2 VAL 47 1HG2 VAL 47 -7.389 -2.373 2.984 359 2HG2 VAL 47 2HG2 VAL 47 -8.505 -1.048 2.504 360 3HG2 VAL 47 3HG2 VAL 47 -6.816 -1.069 1.888 361 H LYS 48 H LYS 48 -9.027 1.470 5.061 362 HA LYS 48 HA LYS 48 -11.682 0.257 4.556 363 1HB LYS 48 2HB LYS 48 -10.846 2.203 6.519 364 2HB LYS 48 1HB LYS 48 -12.193 2.768 5.553 365 1HG LYS 48 2HG LYS 48 -13.028 1.587 7.502 366 2HG LYS 48 1HG LYS 48 -13.400 0.671 6.056 367 1HD LYS 48 2HD LYS 48 -12.418 -1.090 7.027 368 2HD LYS 48 1HD LYS 48 -10.892 -0.248 6.846 369 1HE LYS 48 2HE LYS 48 -10.963 0.592 9.040 370 2HE LYS 48 1HE LYS 48 -12.679 0.274 9.199 371 1HZ LYS 48 1HZ LYS 48 -12.200 -2.063 9.159 372 2HZ LYS 48 2HZ LYS 48 -10.579 -1.762 9.009 373 3HZ LYS 48 3HZ LYS 48 -11.377 -1.327 10.393 374 HA PRO 49 HA PRO 49 -11.794 2.418 0.838 375 1HB PRO 49 2HB PRO 49 -14.515 2.683 0.481 376 2HB PRO 49 1HB PRO 49 -13.591 1.236 0.129 377 1HG PRO 49 2HG PRO 49 -15.427 1.761 2.346 378 2HG PRO 49 1HG PRO 49 -14.836 0.227 1.740 379 1HD PRO 49 2HD PRO 49 -13.983 1.591 4.081 380 2HD PRO 49 1HD PRO 49 -13.313 0.118 3.411 381 H GLY 50 H GLY 50 -11.463 4.439 0.246 382 1HA GLY 50 2HA GLY 50 -12.028 6.741 0.076 383 2HA GLY 50 1HA GLY 50 -13.064 6.590 1.480 384 H GLU 51 H GLU 51 -10.161 4.988 1.928 385 HA GLU 51 HA GLU 51 -9.147 7.244 3.554 386 1HB GLU 51 2HB GLU 51 -9.359 4.411 4.032 387 2HB GLU 51 1HB GLU 51 -7.718 4.979 4.266 388 1HG GLU 51 2HG GLU 51 -9.107 5.094 6.330 389 2HG GLU 51 1HG GLU 51 -8.461 6.647 5.840 390 H SER 52 H SER 52 -6.702 7.148 3.883 391 HA SER 52 HA SER 52 -5.482 6.859 1.192 392 1HB SER 52 2HB SER 52 -3.805 8.520 2.564 393 2HB SER 52 1HB SER 52 -5.029 9.033 1.420 394 HG SER 52 HG SER 52 -5.197 10.133 3.434 395 H LEU 53 H LEU 53 -3.846 5.538 0.922 396 HA LEU 53 HA LEU 53 -2.267 4.749 3.270 397 1HB LEU 53 2HB LEU 53 -2.868 2.630 3.355 398 2HB LEU 53 1HB LEU 53 -4.294 3.161 2.486 399 HG LEU 53 HG LEU 53 -1.931 1.672 1.501 400 1HD1 LEU 53 1HD1 LEU 53 -3.840 0.371 2.253 401 2HD1 LEU 53 2HD1 LEU 53 -4.912 1.295 1.144 402 3HD1 LEU 53 3HD1 LEU 53 -3.636 0.221 0.473 403 1HD2 LEU 53 1HD2 LEU 53 -3.819 3.264 -0.249 404 2HD2 LEU 53 2HD2 LEU 53 -2.063 3.570 -0.011 405 3HD2 LEU 53 3HD2 LEU 53 -2.611 2.068 -0.834 406 H GLU 54 H GLU 54 -0.249 3.747 2.759 407 HA GLU 54 HA GLU 54 0.907 5.000 0.411 408 1HB GLU 54 2HB GLU 54 1.896 3.824 2.870 409 2HB GLU 54 1HB GLU 54 2.871 3.405 1.475 410 1HG GLU 54 2HG GLU 54 3.862 5.401 1.743 411 2HG GLU 54 1HG GLU 54 2.380 6.098 1.121 412 H VAL 55 H VAL 55 1.488 4.144 -1.457 413 HA VAL 55 HA VAL 55 0.793 1.295 -1.846 414 HB VAL 55 HB VAL 55 0.706 3.683 -3.570 415 1HG1 VAL 55 1HG1 VAL 55 2.219 2.242 -4.828 416 2HG1 VAL 55 2HG1 VAL 55 1.059 0.878 -4.660 417 3HG1 VAL 55 3HG1 VAL 55 0.609 2.326 -5.625 418 1HG2 VAL 55 1HG2 VAL 55 -1.104 1.274 -3.251 419 2HG2 VAL 55 2HG2 VAL 55 -1.343 2.894 -2.509 420 3HG2 VAL 55 3HG2 VAL 55 -1.436 2.700 -4.294 421 H ILE 56 H ILE 56 2.282 -0.164 -2.155 422 HA ILE 56 HA ILE 56 5.053 0.773 -2.440 423 HB ILE 56 HB ILE 56 4.086 -1.990 -1.876 424 1HG1 ILE 56 2HG1 ILE 56 4.731 0.242 0.004 425 2HG1 ILE 56 1HG1 ILE 56 3.257 -0.698 -0.101 426 1HG2 ILE 56 1HG2 ILE 56 6.351 -1.942 -2.755 427 2HG2 ILE 56 2HG2 ILE 56 6.807 -0.713 -1.525 428 3HG2 ILE 56 3HG2 ILE 56 6.360 -2.376 -1.010 429 1HD1 ILE 56 1HG1 ILE 56 4.470 -2.725 0.629 430 2HD1 ILE 56 2HG1 ILE 56 5.983 -1.760 0.738 431 3HD1 ILE 56 3HG1 ILE 56 4.609 -1.404 1.841 432 H GLN 57 H GLN 57 5.497 -2.111 -3.480 433 HA GLN 57 HA GLN 57 5.309 -1.298 -6.302 434 1HB GLN 57 2HB GLN 57 7.477 -2.093 -5.347 435 2HB GLN 57 1HB GLN 57 6.750 -3.678 -5.180 436 1HG GLN 57 2HG GLN 57 6.561 -3.968 -7.497 437 2HG GLN 57 1HG GLN 57 6.734 -2.254 -7.817 438 1HE2 GLN 57 1HE2 GLN 57 8.814 -1.271 -7.043 439 2HE2 GLN 57 2HE2 GLN 57 10.285 -2.161 -7.368 440 H THR 58 H THR 58 4.550 -2.691 -7.932 441 HA THR 58 HA THR 58 2.077 -3.934 -7.239 442 HB THR 58 HB THR 58 2.282 -4.667 -9.743 443 HG1 THR 58 HG1 THR 58 4.033 -3.440 -10.694 444 1HG2 THR 58 1HG2 THR 58 1.061 -2.551 -8.995 445 2HG2 THR 58 2HG2 THR 58 2.645 -1.703 -9.063 446 3HG2 THR 58 3HG2 THR 58 1.916 -2.368 -10.566 447 H THR 59 H THR 59 1.680 -5.817 -6.402 448 HA THR 59 HA THR 59 3.644 -7.704 -5.773 449 HB THR 59 HB THR 59 0.654 -7.736 -5.885 450 HG1 THR 59 HG1 THR 59 1.193 -8.019 -3.626 451 1HG2 THR 59 1HG2 THR 59 1.420 -10.100 -6.476 452 2HG2 THR 59 2HG2 THR 59 2.442 -10.059 -4.997 453 3HG2 THR 59 3HG2 THR 59 0.651 -9.979 -4.855 454 H ASP 60 H ASP 60 1.025 -8.438 -8.030 455 HA ASP 60 HA ASP 60 2.964 -10.034 -9.621 456 1HB ASP 60 2HB ASP 60 1.185 -11.420 -8.959 457 2HB ASP 60 1HB ASP 60 -0.004 -10.171 -9.268 458 H ASP 61 H ASP 61 -0.163 -8.992 -10.719 459 HA ASP 61 HA ASP 61 1.162 -7.241 -12.735 460 1HB ASP 61 2HB ASP 61 -1.129 -9.139 -12.938 461 2HB ASP 61 1HB ASP 61 -1.046 -7.750 -14.003 462 H THR 62 H THR 62 -1.980 -7.892 -11.202 463 HA THR 62 HA THR 62 -2.383 -4.955 -11.035 464 HB THR 62 HB THR 62 -4.748 -6.755 -11.074 465 HG1 THR 62 HG1 THR 62 -4.401 -6.890 -13.385 466 1HG2 THR 62 1HG2 THR 62 -4.919 -4.208 -11.138 467 2HG2 THR 62 2HG2 THR 62 -3.988 -4.258 -12.676 468 3HG2 THR 62 3HG2 THR 62 -5.619 -5.011 -12.587 469 H LYS 63 H LYS 63 -1.056 -5.347 -9.055 470 HA LYS 63 HA LYS 63 -2.883 -5.448 -6.814 471 1HB LYS 63 2HB LYS 63 -2.528 -7.795 -6.975 472 2HB LYS 63 1HB LYS 63 -0.795 -7.578 -7.104 473 1HG LYS 63 2HG LYS 63 -0.979 -8.111 -4.872 474 2HG LYS 63 1HG LYS 63 -1.097 -6.364 -4.789 475 1HD LYS 63 2HD LYS 63 -2.978 -6.769 -3.607 476 2HD LYS 63 1HD LYS 63 -3.700 -7.049 -5.178 477 1HE LYS 63 2HE LYS 63 -3.582 -9.372 -4.957 478 2HE LYS 63 1HE LYS 63 -2.345 -9.285 -3.720 479 1HZ LYS 63 1HZ LYS 63 -3.969 -8.380 -2.226 480 2HZ LYS 63 2HZ LYS 63 -5.139 -8.462 -3.395 481 3HZ LYS 63 3HZ LYS 63 -4.468 -9.852 -2.797 482 H VAL 64 H VAL 64 -2.327 -4.049 -5.329 483 HA VAL 64 HA VAL 64 0.470 -3.060 -5.407 484 HB VAL 64 HB VAL 64 -0.359 -0.864 -4.840 485 1HG1 VAL 64 1HG1 VAL 64 -0.057 -1.394 -7.202 486 2HG1 VAL 64 2HG1 VAL 64 -1.736 -2.035 -7.272 487 3HG1 VAL 64 3HG1 VAL 64 -1.454 -0.285 -6.971 488 1HG2 VAL 64 1HG2 VAL 64 -3.122 -2.088 -5.061 489 2HG2 VAL 64 2HG2 VAL 64 -2.342 -1.481 -3.560 490 3HG2 VAL 64 3HG2 VAL 64 -2.767 -0.335 -4.879 491 H LEU 65 H LEU 65 1.597 -3.064 -3.604 492 HA LEU 65 HA LEU 65 0.281 -4.172 -1.237 493 1HB LEU 65 2HB LEU 65 2.237 -5.290 -1.680 494 2HB LEU 65 1HB LEU 65 3.107 -3.818 -2.063 495 HG LEU 65 HG LEU 65 3.017 -3.224 0.328 496 1HD1 LEU 65 1HD1 LEU 65 1.083 -4.523 1.014 497 2HD1 LEU 65 2HD1 LEU 65 1.974 -6.045 0.665 498 3HD1 LEU 65 3HD1 LEU 65 2.522 -4.968 1.996 499 1HD2 LEU 65 1HD2 LEU 65 4.410 -5.824 -0.352 500 2HD2 LEU 65 2HD2 LEU 65 5.038 -4.164 -0.638 501 3HD2 LEU 65 3HD2 LEU 65 4.806 -4.760 1.042 502 H CYS 66 H CYS 66 -0.359 -3.092 0.451 503 HA CYS 66 HA CYS 66 0.176 -0.203 0.488 504 1HB CYS 66 2HB CYS 66 -2.058 -0.386 0.892 505 2HB CYS 66 1HB CYS 66 -1.898 -1.945 1.675 506 HG CYS 66 HG CYS 66 -2.753 -0.054 3.656 507 H ARG 67 H ARG 67 0.854 0.877 2.404 508 HA ARG 67 HA ARG 67 2.322 -0.840 4.313 509 1HB ARG 67 2HB ARG 67 3.678 0.381 2.312 510 2HB ARG 67 1HB ARG 67 3.720 1.622 3.547 511 1HG ARG 67 2HG ARG 67 4.542 -0.147 5.146 512 2HG ARG 67 1HG ARG 67 4.717 -1.210 3.765 513 1HD ARG 67 2HD ARG 67 6.747 -0.332 3.417 514 2HD ARG 67 1HD ARG 67 5.977 1.197 3.047 515 HE ARG 67 HE ARG 67 7.219 0.417 5.613 516 1HH1 ARG 67 2HH1 ARG 67 5.325 2.815 3.791 517 2HH1 ARG 67 HH22 ARG 67 5.622 4.100 4.939 518 1HH2 ARG 67 1HH1 ARG 67 7.593 2.077 7.080 519 2HH2 ARG 67 2HH1 ARG 67 6.922 3.672 6.821 520 H ASN 68 H ASN 68 2.270 -0.188 6.360 521 HA ASN 68 HA ASN 68 1.055 2.482 6.891 522 1HB ASN 68 2HB ASN 68 0.445 1.137 9.124 523 2HB ASN 68 1HB ASN 68 -0.626 1.188 7.738 524 1HD2 ASN 68 1HD2 ASN 68 1.490 -0.685 9.697 525 2HD2 ASN 68 2HD2 ASN 68 1.217 -2.246 8.957 526 H GLU 69 H GLU 69 1.932 3.707 8.481 527 HA GLU 69 HA GLU 69 4.648 3.411 9.066 528 1HB GLU 69 2HB GLU 69 2.673 5.299 9.617 529 2HB GLU 69 1HB GLU 69 3.333 4.844 11.175 530 1HG GLU 69 2HG GLU 69 4.937 5.759 8.790 531 2HG GLU 69 1HG GLU 69 4.570 6.727 10.203 532 H GLU 70 H GLU 70 2.029 1.697 10.269 533 HA GLU 70 HA GLU 70 2.941 1.151 12.908 534 1HB GLU 70 2HB GLU 70 0.693 0.538 11.482 535 2HB GLU 70 1HB GLU 70 1.476 -1.021 11.642 536 1HG GLU 70 2HG GLU 70 -0.054 -0.594 13.515 537 2HG GLU 70 1HG GLU 70 1.605 -0.725 14.064 538 H GLY 71 H GLY 71 4.296 0.444 9.985 539 1HA GLY 71 2HA GLY 71 6.301 -0.715 9.633 540 2HA GLY 71 1HA GLY 71 6.162 -1.438 11.223 541 H LYS 72 H LYS 72 3.217 -1.752 9.864 542 HA LYS 72 HA LYS 72 3.855 -4.484 8.931 543 1HB LYS 72 2HB LYS 72 2.326 -4.947 10.504 544 2HB LYS 72 1HB LYS 72 1.628 -3.341 10.447 545 1HG LYS 72 2HG LYS 72 0.513 -3.939 8.316 546 2HG LYS 72 1HG LYS 72 1.152 -5.563 8.466 547 1HD LYS 72 2HD LYS 72 -0.731 -6.051 9.585 548 2HD LYS 72 1HD LYS 72 -0.052 -5.128 10.911 549 1HE LYS 72 2HE LYS 72 -1.271 -3.202 10.350 550 2HE LYS 72 1HE LYS 72 -1.603 -3.778 8.728 551 1HZ LYS 72 1HZ LYS 72 -3.006 -5.463 9.666 552 2HZ LYS 72 2HZ LYS 72 -2.692 -4.920 11.198 553 3HZ LYS 72 3HZ LYS 72 -3.520 -3.960 10.132 554 H TYR 73 H TYR 73 2.731 -5.352 7.115 555 HA TYR 73 HA TYR 73 2.000 -3.237 5.133 556 1HB TYR 73 2HB TYR 73 3.527 -5.818 4.808 557 2HB TYR 73 1HB TYR 73 3.068 -4.761 3.488 558 HD1 TYR 73 HD1 TYR 73 4.751 -4.379 6.808 559 HD2 TYR 73 HD2 TYR 73 4.788 -3.487 2.634 560 HE1 TYR 73 HE1 TYR 73 6.904 -3.072 7.099 561 HE2 TYR 73 HE2 TYR 73 6.941 -2.182 2.940 562 HH TYR 73 HH TYR 73 8.436 -1.521 4.344 563 H GLY 74 H GLY 74 0.706 -4.062 3.317 564 1HA GLY 74 2HA GLY 74 -0.801 -6.525 3.780 565 2HA GLY 74 1HA GLY 74 -1.727 -5.047 3.937 566 H TYR 75 H TYR 75 -2.237 -7.061 2.043 567 HA TYR 75 HA TYR 75 -1.309 -5.880 -0.523 568 1HB TYR 75 2HB TYR 75 -2.363 -8.501 0.436 569 2HB TYR 75 1HB TYR 75 -2.551 -8.082 -1.255 570 HD1 TYR 75 HD1 TYR 75 0.016 -6.638 -1.718 571 HD2 TYR 75 HD2 TYR 75 -0.817 -10.273 0.358 572 HE1 TYR 75 HE1 TYR 75 2.376 -7.449 -2.177 573 HE2 TYR 75 HE2 TYR 75 1.545 -11.071 -0.108 574 HH TYR 75 HH TYR 75 3.435 -10.594 -1.027 575 H VAL 76 H VAL 76 -2.777 -5.402 -2.174 576 HA VAL 76 HA VAL 76 -5.624 -5.320 -1.420 577 HB VAL 76 HB VAL 76 -4.616 -3.163 -0.816 578 1HG1 VAL 76 1HG1 VAL 76 -2.853 -3.045 -2.498 579 2HG1 VAL 76 2HG1 VAL 76 -4.096 -2.913 -3.791 580 3HG1 VAL 76 3HG1 VAL 76 -3.913 -1.594 -2.582 581 1HG2 VAL 76 1HG2 VAL 76 -6.609 -3.059 -3.096 582 2HG2 VAL 76 2HG2 VAL 76 -6.992 -3.285 -1.354 583 3HG2 VAL 76 3HG2 VAL 76 -6.288 -1.732 -1.926 584 H LEU 77 H LEU 77 -6.865 -6.095 -2.933 585 HA LEU 77 HA LEU 77 -5.691 -6.809 -5.477 586 1HB LEU 77 2HB LEU 77 -7.573 -7.940 -3.967 587 2HB LEU 77 1HB LEU 77 -8.580 -7.083 -5.116 588 HG LEU 77 HG LEU 77 -6.748 -9.361 -5.536 589 1HD1 LEU 77 1HD1 LEU 77 -9.109 -9.825 -5.212 590 2HD1 LEU 77 2HD1 LEU 77 -9.520 -8.707 -6.558 591 3HD1 LEU 77 3HD1 LEU 77 -8.613 -10.223 -6.894 592 1HD2 LEU 77 1HD2 LEU 77 -7.522 -7.402 -7.710 593 2HD2 LEU 77 2HD2 LEU 77 -5.865 -7.707 -7.081 594 3HD2 LEU 77 3HD2 LEU 77 -6.740 -9.000 -7.973 595 H ARG 78 H ARG 78 -6.027 -6.000 -7.458 596 HA ARG 78 HA ARG 78 -6.535 -3.241 -7.684 597 1HB ARG 78 2HB ARG 78 -6.338 -3.503 -10.000 598 2HB ARG 78 1HB ARG 78 -5.359 -4.800 -9.345 599 1HG ARG 78 2HG ARG 78 -6.571 -6.252 -10.531 600 2HG ARG 78 1HG ARG 78 -7.965 -5.826 -9.558 601 1HD ARG 78 2HD ARG 78 -7.463 -3.825 -11.582 602 2HD ARG 78 1HD ARG 78 -7.659 -5.411 -12.300 603 HE ARG 78 HE ARG 78 -9.724 -5.200 -10.437 604 1HH1 ARG 78 2HH1 ARG 78 -8.697 -3.397 -13.327 605 2HH1 ARG 78 HH22 ARG 78 -10.319 -2.875 -13.724 606 1HH2 ARG 78 1HH1 ARG 78 -11.801 -4.522 -10.958 607 2HH2 ARG 78 2HH1 ARG 78 -12.093 -3.522 -12.364 608 H SER 79 H SER 79 -8.655 -5.911 -7.475 609 HA SER 79 HA SER 79 -10.903 -5.065 -8.871 610 1HB SER 79 2HB SER 79 -10.992 -7.196 -7.886 611 2HB SER 79 1HB SER 79 -10.655 -6.558 -6.290 612 HG SER 79 HG SER 79 -12.876 -7.089 -6.570 613 H TYR 80 H TYR 80 -10.241 -4.468 -5.432 614 HA TYR 80 HA TYR 80 -11.957 -2.031 -5.619 615 1HB TYR 80 2HB TYR 80 -12.107 -2.481 -3.101 616 2HB TYR 80 1HB TYR 80 -12.964 -3.582 -4.162 617 HD1 TYR 80 HD1 TYR 80 -9.886 -3.188 -2.138 618 HD2 TYR 80 HD2 TYR 80 -12.483 -5.896 -4.170 619 HE1 TYR 80 HE1 TYR 80 -8.664 -5.152 -1.098 620 HE2 TYR 80 HE2 TYR 80 -11.255 -7.850 -3.122 621 HH TYR 80 HH TYR 80 -9.653 -8.447 -1.810 622 H LEU 81 H LEU 81 -10.095 -0.816 -6.332 623 HA LEU 81 HA LEU 81 -8.732 0.399 -4.136 624 1HB LEU 81 2HB LEU 81 -7.043 -1.003 -3.948 625 2HB LEU 81 1HB LEU 81 -7.403 -1.781 -5.476 626 HG LEU 81 HG LEU 81 -6.320 0.413 -6.424 627 1HD1 LEU 81 1HD1 LEU 81 -5.982 1.513 -4.285 628 2HD1 LEU 81 2HD1 LEU 81 -4.988 0.124 -3.722 629 3HD1 LEU 81 3HD1 LEU 81 -4.403 1.161 -5.069 630 1HD2 LEU 81 1HD2 LEU 81 -4.740 -1.941 -5.365 631 2HD2 LEU 81 2HD2 LEU 81 -5.580 -1.839 -6.951 632 3HD2 LEU 81 3HD2 LEU 81 -4.171 -0.776 -6.610 633 H ALA 82 H ALA 82 -6.970 1.944 -5.030 634 HA ALA 82 HA ALA 82 -8.336 3.526 -7.039 635 1HB ALA 82 1HB ALA 82 -7.288 4.600 -5.103 636 2HB ALA 82 2HB ALA 82 -5.690 3.956 -5.616 637 3HB ALA 82 3HB ALA 82 -6.538 5.172 -6.633 638 H ASP 83 H ASP 83 -6.904 4.575 -8.777 639 HA ASP 83 HA ASP 83 -6.251 2.595 -10.675 640 1HB ASP 83 2HB ASP 83 -6.000 5.484 -10.454 641 2HB ASP 83 1HB ASP 83 -4.712 4.756 -11.393 Start of MODEL 19 1 H GLU 7 H1 GLU 7 4.068 -4.624 15.788 2 HA GLU 7 HA GLU 7 5.787 -3.524 14.661 3 1HB GLU 7 2HB GLU 7 6.941 -3.294 17.125 4 2HB GLU 7 1HB GLU 7 7.930 -4.520 16.359 5 1HG GLU 7 2HG GLU 7 8.905 -3.012 15.018 6 2HG GLU 7 1HG GLU 7 7.358 -2.337 14.547 7 H LYS 8 H LYS 8 5.739 -6.499 16.480 8 HA LYS 8 HA LYS 8 7.325 -8.028 14.697 9 1HB LYS 8 2HB LYS 8 5.413 -8.656 16.862 10 2HB LYS 8 1HB LYS 8 5.869 -9.942 15.763 11 1HG LYS 8 2HG LYS 8 8.063 -9.943 16.455 12 2HG LYS 8 1HG LYS 8 8.030 -8.252 16.912 13 1HD LYS 8 2HD LYS 8 6.202 -9.848 18.505 14 2HD LYS 8 1HD LYS 8 7.855 -10.412 18.636 15 1HE LYS 8 2HE LYS 8 8.503 -7.995 19.072 16 2HE LYS 8 1HE LYS 8 6.792 -7.665 19.247 17 1HZ LYS 8 1HZ LYS 8 6.708 -9.289 20.994 18 2HZ LYS 8 2HZ LYS 8 8.325 -9.600 20.828 19 3HZ LYS 8 3HZ LYS 8 7.818 -8.113 21.352 20 H GLU 9 H GLU 9 4.379 -6.553 14.294 21 HA GLU 9 HA GLU 9 2.988 -8.401 12.677 22 1HB GLU 9 2HB GLU 9 1.800 -6.445 11.773 23 2HB GLU 9 1HB GLU 9 1.894 -6.427 13.522 24 1HG GLU 9 2HG GLU 9 4.117 -5.048 12.978 25 2HG GLU 9 1HG GLU 9 3.194 -4.650 11.542 26 H GLU 10 H GLU 10 5.754 -6.450 12.087 27 HA GLU 10 HA GLU 10 5.647 -6.337 9.263 28 1HB GLU 10 2HB GLU 10 7.239 -4.925 10.115 29 2HB GLU 10 1HB GLU 10 7.823 -6.108 11.268 30 1HG GLU 10 2HG GLU 10 9.016 -7.292 9.603 31 2HG GLU 10 1HG GLU 10 8.181 -6.461 8.306 32 H LYS 11 H LYS 11 6.831 -8.768 11.490 33 HA LYS 11 HA LYS 11 7.968 -10.426 9.446 34 1HB LYS 11 2HB LYS 11 7.465 -10.684 12.339 35 2HB LYS 11 1HB LYS 11 7.676 -12.163 11.424 36 1HG LYS 11 2HG LYS 11 9.869 -11.744 11.909 37 2HG LYS 11 1HG LYS 11 9.740 -10.800 10.439 38 1HD LYS 11 2HD LYS 11 9.086 -8.849 11.973 39 2HD LYS 11 1HD LYS 11 9.705 -9.837 13.281 40 1HE LYS 11 2HE LYS 11 11.688 -9.960 11.339 41 2HE LYS 11 1HE LYS 11 11.153 -8.292 11.301 42 1HZ LYS 11 1HZ LYS 11 11.497 -8.178 13.658 43 2HZ LYS 11 2HZ LYS 11 12.002 -9.755 13.694 44 3HZ LYS 11 3HZ LYS 11 12.898 -8.616 12.892 45 H ASP 12 H ASP 12 4.831 -9.985 10.814 46 HA ASP 12 HA ASP 12 3.613 -12.411 9.993 47 1HB ASP 12 2HB ASP 12 2.607 -10.645 11.478 48 2HB ASP 12 1HB ASP 12 2.305 -9.710 10.027 49 H PHE 13 H PHE 13 4.442 -9.456 8.339 50 HA PHE 13 HA PHE 13 2.924 -10.086 5.934 51 1HB PHE 13 2HB PHE 13 3.167 -7.832 6.104 52 2HB PHE 13 1HB PHE 13 4.676 -7.965 6.985 53 HD1 PHE 13 HD1 PHE 13 3.143 -7.479 3.772 54 HD2 PHE 13 HD2 PHE 13 6.787 -8.346 5.740 55 HE1 PHE 13 HE1 PHE 13 4.407 -6.868 1.698 56 HE2 PHE 13 HE2 PHE 13 8.053 -7.739 3.665 57 HZ PHE 13 HZ PHE 13 6.848 -7.004 1.671 58 H ARG 14 H ARG 14 6.350 -9.910 6.851 59 HA ARG 14 HA ARG 14 7.420 -10.771 4.392 60 1HB ARG 14 2HB ARG 14 9.045 -9.940 5.792 61 2HB ARG 14 1HB ARG 14 8.408 -10.773 7.196 62 1HG ARG 14 2HG ARG 14 9.476 -12.744 6.683 63 2HG ARG 14 1HG ARG 14 9.484 -12.414 4.962 64 1HD ARG 14 2HD ARG 14 11.057 -10.481 6.457 65 2HD ARG 14 1HD ARG 14 11.634 -12.120 6.681 66 HE ARG 14 HE ARG 14 11.085 -11.382 3.896 67 1HH1 ARG 14 2HH1 ARG 14 13.533 -11.558 6.471 68 2HH1 ARG 14 HH22 ARG 14 14.880 -11.552 5.355 69 1HH2 ARG 14 1HH1 ARG 14 12.824 -11.375 2.475 70 2HH2 ARG 14 2HH1 ARG 14 14.468 -11.446 3.068 71 H LYS 15 H LYS 15 6.185 -12.538 7.153 72 HA LYS 15 HA LYS 15 7.096 -15.095 6.544 73 1HB LYS 15 2HB LYS 15 5.173 -15.930 7.804 74 2HB LYS 15 1HB LYS 15 5.968 -14.595 8.613 75 1HG LYS 15 2HG LYS 15 3.854 -13.796 8.796 76 2HG LYS 15 1HG LYS 15 4.140 -13.245 7.158 77 1HD LYS 15 2HD LYS 15 2.108 -14.350 6.949 78 2HD LYS 15 1HD LYS 15 3.250 -15.595 6.486 79 1HE LYS 15 2HE LYS 15 2.423 -15.351 9.346 80 2HE LYS 15 1HE LYS 15 1.358 -16.147 8.205 81 1HZ LYS 15 1HZ LYS 15 3.146 -17.620 7.637 82 2HZ LYS 15 2HZ LYS 15 4.153 -16.868 8.716 83 3HZ LYS 15 3HZ LYS 15 2.828 -17.698 9.260 84 H LYS 16 H LYS 16 4.029 -13.628 5.536 85 HA LYS 16 HA LYS 16 3.659 -15.737 3.561 86 1HB LYS 16 2HB LYS 16 1.842 -14.578 4.988 87 2HB LYS 16 1HB LYS 16 1.906 -13.343 3.747 88 1HG LYS 16 2HG LYS 16 0.172 -15.020 3.266 89 2HG LYS 16 1HG LYS 16 1.418 -15.009 2.034 90 1HD LYS 16 2HD LYS 16 1.985 -16.847 4.229 91 2HD LYS 16 1HD LYS 16 0.515 -17.240 3.360 92 1HE LYS 16 2HE LYS 16 1.633 -17.826 1.476 93 2HE LYS 16 1HE LYS 16 2.820 -16.551 1.665 94 1HZ LYS 16 1HZ LYS 16 3.878 -17.854 3.360 95 2HZ LYS 16 2HZ LYS 16 2.756 -19.059 3.182 96 3HZ LYS 16 3HZ LYS 16 3.798 -18.707 1.943 97 H PHE 17 H PHE 17 4.668 -12.418 3.734 98 HA PHE 17 HA PHE 17 4.771 -12.125 0.817 99 1HB PHE 17 2HB PHE 17 5.465 -10.436 3.198 100 2HB PHE 17 1HB PHE 17 5.848 -9.926 1.566 101 HD1 PHE 17 HD1 PHE 17 2.914 -11.277 3.412 102 HD2 PHE 17 HD2 PHE 17 4.372 -8.472 0.597 103 HE1 PHE 17 HE1 PHE 17 0.611 -10.325 3.168 104 HE2 PHE 17 HE2 PHE 17 2.069 -7.520 0.354 105 HZ PHE 17 HZ PHE 17 0.216 -8.456 1.643 106 H LYS 18 H LYS 18 6.371 -14.207 2.181 107 HA LYS 18 HA LYS 18 8.986 -13.749 2.625 108 1HB LYS 18 2HB LYS 18 9.508 -15.899 1.550 109 2HB LYS 18 1HB LYS 18 8.102 -15.976 2.593 110 1HG LYS 18 2HG LYS 18 7.197 -17.023 0.787 111 2HG LYS 18 1HG LYS 18 6.889 -15.375 0.279 112 1HD LYS 18 2HD LYS 18 9.530 -16.030 -0.512 113 2HD LYS 18 1HD LYS 18 8.490 -17.353 -1.002 114 1HE LYS 18 2HE LYS 18 7.107 -15.915 -2.290 115 2HE LYS 18 1HE LYS 18 7.814 -14.479 -1.577 116 1HZ LYS 18 1HZ LYS 18 9.879 -15.026 -2.639 117 2HZ LYS 18 2HZ LYS 18 9.211 -16.383 -3.313 118 3HZ LYS 18 3HZ LYS 18 8.672 -14.884 -3.764 119 H TYR 19 H TYR 19 7.498 -12.185 0.344 120 HA TYR 19 HA TYR 19 9.155 -12.348 -1.966 121 1HB TYR 19 2HB TYR 19 7.250 -11.181 -2.388 122 2HB TYR 19 1HB TYR 19 7.154 -10.567 -0.750 123 HD1 TYR 19 HD1 TYR 19 9.489 -10.177 -3.649 124 HD2 TYR 19 HD2 TYR 19 7.201 -8.270 -0.592 125 HE1 TYR 19 HE1 TYR 19 10.305 -7.911 -4.442 126 HE2 TYR 19 HE2 TYR 19 8.023 -6.010 -1.397 127 HH TYR 19 HH TYR 19 9.252 -4.972 -2.831 128 H ASP 20 H ASP 20 11.211 -11.836 -2.210 129 HA ASP 20 HA ASP 20 12.471 -9.997 -0.258 130 1HB ASP 20 2HB ASP 20 13.486 -12.077 -2.135 131 2HB ASP 20 1HB ASP 20 14.554 -10.791 -1.610 132 H GLY 21 H GLY 21 11.954 -7.984 -0.936 133 1HA GLY 21 2HA GLY 21 13.222 -7.129 -3.451 134 2HA GLY 21 1HA GLY 21 11.501 -6.838 -3.291 135 H GLU 22 H GLU 22 12.384 -4.599 -3.635 136 HA GLU 22 HA GLU 22 13.406 -3.444 -1.116 137 1HB GLU 22 2HB GLU 22 14.634 -2.927 -3.195 138 2HB GLU 22 1HB GLU 22 13.196 -2.138 -3.812 139 1HG GLU 22 2HG GLU 22 13.261 -0.521 -2.006 140 2HG GLU 22 1HG GLU 22 14.620 -1.350 -1.274 141 H ILE 23 H ILE 23 11.623 -3.407 0.153 142 HA ILE 23 HA ILE 23 9.117 -2.376 -0.777 143 HB ILE 23 HB ILE 23 10.074 -3.674 1.504 144 1HG1 ILE 23 2HG1 ILE 23 7.235 -2.878 1.037 145 2HG1 ILE 23 1HG1 ILE 23 8.036 -4.085 0.051 146 1HG2 ILE 23 1HG2 ILE 23 10.299 -1.527 2.620 147 2HG2 ILE 23 2HG2 ILE 23 8.602 -1.119 2.188 148 3HG2 ILE 23 3HG2 ILE 23 8.940 -2.467 3.328 149 1HD1 ILE 23 1HG1 ILE 23 8.544 -5.426 2.066 150 2HD1 ILE 23 2HG1 ILE 23 7.722 -4.188 3.077 151 3HD1 ILE 23 3HG1 ILE 23 6.776 -5.150 1.889 152 H ARG 24 H ARG 24 8.891 -0.416 -1.492 153 HA ARG 24 HA ARG 24 9.542 1.805 0.286 154 1HB ARG 24 2HB ARG 24 10.900 3.025 -1.267 155 2HB ARG 24 1HB ARG 24 11.639 1.457 -1.010 156 1HG ARG 24 2HG ARG 24 11.701 1.363 -3.265 157 2HG ARG 24 1HG ARG 24 10.010 0.929 -3.122 158 1HD ARG 24 2HD ARG 24 10.043 2.686 -4.697 159 2HD ARG 24 1HD ARG 24 9.535 3.445 -3.202 160 HE ARG 24 HE ARG 24 12.194 3.713 -4.498 161 1HH1 ARG 24 2HH1 ARG 24 9.980 4.615 -1.865 162 2HH1 ARG 24 HH22 ARG 24 10.941 5.989 -1.365 163 1HH2 ARG 24 1HH1 ARG 24 13.419 5.481 -3.847 164 2HH2 ARG 24 2HH1 ARG 24 12.910 6.480 -2.505 165 H VAL 25 H VAL 25 7.792 2.975 0.333 166 HA VAL 25 HA VAL 25 5.759 2.774 -1.655 167 HB VAL 25 HB VAL 25 5.265 3.279 0.648 168 1HG1 VAL 25 1HG1 VAL 25 7.235 4.597 1.222 169 2HG1 VAL 25 2HG1 VAL 25 6.662 5.921 0.150 170 3HG1 VAL 25 3HG1 VAL 25 5.730 5.493 1.627 171 1HG2 VAL 25 1HG2 VAL 25 4.474 5.530 -1.219 172 2HG2 VAL 25 2HG2 VAL 25 3.632 3.953 -1.034 173 3HG2 VAL 25 3HG2 VAL 25 3.660 5.122 0.331 174 H LEU 26 H LEU 26 6.288 3.274 -3.665 175 HA LEU 26 HA LEU 26 7.734 5.774 -4.163 176 1HB LEU 26 2HB LEU 26 8.045 3.430 -5.302 177 2HB LEU 26 1HB LEU 26 6.805 4.057 -6.369 178 HG LEU 26 HG LEU 26 9.618 4.834 -6.069 179 1HD1 LEU 26 1HD1 LEU 26 8.931 3.482 -7.966 180 2HD1 LEU 26 2HD1 LEU 26 7.723 4.731 -8.426 181 3HD1 LEU 26 3HD1 LEU 26 9.479 5.105 -8.513 182 1HD2 LEU 26 1HD2 LEU 26 7.480 6.835 -6.833 183 2HD2 LEU 26 2HD2 LEU 26 8.538 6.898 -5.380 184 3HD2 LEU 26 3HD2 LEU 26 9.252 7.076 -7.020 185 H TYR 27 H TYR 27 4.677 4.226 -5.022 186 HA TYR 27 HA TYR 27 3.536 6.949 -5.472 187 1HB TYR 27 2HB TYR 27 2.286 6.006 -7.299 188 2HB TYR 27 1HB TYR 27 3.976 5.606 -7.533 189 HD1 TYR 27 HD1 TYR 27 4.777 3.286 -6.994 190 HD2 TYR 27 HD2 TYR 27 0.637 4.318 -7.104 191 HE1 TYR 27 HE1 TYR 27 4.163 0.832 -7.177 192 HE2 TYR 27 HE2 TYR 27 0.037 1.861 -7.287 193 HH TYR 27 HH TYR 27 0.797 -0.153 -7.385 194 H SER 28 H SER 28 2.784 6.933 -3.297 195 HA SER 28 HA SER 28 1.072 4.820 -2.349 196 1HB SER 28 2HB SER 28 0.564 6.360 -0.499 197 2HB SER 28 1HB SER 28 2.286 6.157 -0.756 198 HG SER 28 HG SER 28 1.701 8.361 -0.446 199 H THR 29 H THR 29 -0.791 4.377 -3.234 200 HA THR 29 HA THR 29 -2.361 6.505 -4.478 201 HB THR 29 HB THR 29 -1.941 4.046 -5.329 202 HG1 THR 29 HG1 THR 29 -4.011 4.374 -6.370 203 1HG2 THR 29 1HG2 THR 29 -3.018 2.957 -3.285 204 2HG2 THR 29 2HG2 THR 29 -4.537 3.815 -3.720 205 3HG2 THR 29 3HG2 THR 29 -3.858 2.572 -4.827 206 H LYS 30 H LYS 30 -4.648 6.758 -4.057 207 HA LYS 30 HA LYS 30 -5.126 6.609 -1.148 208 1HB LYS 30 2HB LYS 30 -5.229 8.840 -1.931 209 2HB LYS 30 1HB LYS 30 -6.289 8.393 -3.253 210 1HG LYS 30 2HG LYS 30 -7.555 7.513 -0.901 211 2HG LYS 30 1HG LYS 30 -6.974 9.132 -0.567 212 1HD LYS 30 2HD LYS 30 -8.024 9.427 -3.070 213 2HD LYS 30 1HD LYS 30 -9.108 8.244 -2.367 214 1HE LYS 30 2HE LYS 30 -8.450 10.975 -1.277 215 2HE LYS 30 1HE LYS 30 -9.993 10.434 -1.907 216 1HZ LYS 30 1HZ LYS 30 -10.122 8.868 -0.112 217 2HZ LYS 30 2HZ LYS 30 -8.664 9.379 0.484 218 3HZ LYS 30 3HZ LYS 30 -9.962 10.408 0.477 219 H VAL 31 H VAL 31 -6.761 5.543 -0.257 220 HA VAL 31 HA VAL 31 -8.006 3.508 -1.869 221 HB VAL 31 HB VAL 31 -8.921 4.112 0.873 222 1HG1 VAL 31 1HG1 VAL 31 -9.895 2.210 -0.300 223 2HG1 VAL 31 2HG1 VAL 31 -8.250 1.539 -0.579 224 3HG1 VAL 31 3HG1 VAL 31 -8.901 1.658 1.093 225 1HG2 VAL 31 1HG2 VAL 31 -6.201 2.941 0.230 226 2HG2 VAL 31 2HG2 VAL 31 -6.521 4.518 1.032 227 3HG2 VAL 31 3HG2 VAL 31 -6.963 2.984 1.858 228 H THR 32 H THR 32 -9.866 3.484 -2.878 229 HA THR 32 HA THR 32 -11.430 5.935 -2.913 230 HB THR 32 HB THR 32 -10.996 4.828 -5.027 231 HG1 THR 32 HG1 THR 32 -13.259 4.574 -5.562 232 1HG2 THR 32 1HG2 THR 32 -10.830 2.445 -4.123 233 2HG2 THR 32 2HG2 THR 32 -12.609 2.496 -3.871 234 3HG2 THR 32 3HG2 THR 32 -11.934 2.602 -5.534 235 H THR 33 H THR 33 -13.929 5.502 -3.105 236 HA THR 33 HA THR 33 -14.689 4.597 -0.448 237 HB THR 33 HB THR 33 -15.651 6.665 -1.294 238 HG1 THR 33 HG1 THR 33 -17.856 5.932 -1.017 239 1HG2 THR 33 1HG2 THR 33 -15.641 6.046 -3.772 240 2HG2 THR 33 2HG2 THR 33 -16.972 4.892 -3.413 241 3HG2 THR 33 3HG2 THR 33 -17.228 6.658 -3.192 242 H SER 34 H SER 34 -14.450 3.270 -3.542 243 HA SER 34 HA SER 34 -16.440 1.171 -2.953 244 1HB SER 34 2HB SER 34 -16.702 1.942 -5.150 245 2HB SER 34 1HB SER 34 -14.974 1.954 -5.440 246 HG SER 34 HG SER 34 -16.018 0.162 -6.439 247 H ILE 35 H ILE 35 -13.610 1.690 -1.830 248 HA ILE 35 HA ILE 35 -12.099 -0.604 -2.651 249 HB ILE 35 HB ILE 35 -11.560 1.678 -1.278 250 1HG1 ILE 35 2HG1 ILE 35 -10.174 -0.259 -2.599 251 2HG1 ILE 35 1HG1 ILE 35 -9.480 1.179 -1.877 252 1HG2 ILE 35 1HG2 ILE 35 -12.397 0.781 0.820 253 2HG2 ILE 35 2HG2 ILE 35 -11.306 -0.638 0.655 254 3HG2 ILE 35 3HG2 ILE 35 -10.615 1.004 0.896 255 1HD1 ILE 35 1HG1 ILE 35 -9.065 -0.051 0.227 256 2HD1 ILE 35 2HG1 ILE 35 -9.777 -1.526 -0.514 257 3HD1 ILE 35 3HG1 ILE 35 -8.249 -0.840 -1.167 258 H THR 36 H THR 36 -11.327 -2.200 -0.930 259 HA THR 36 HA THR 36 -13.630 -3.727 -0.181 260 HB THR 36 HB THR 36 -11.595 -4.855 -0.865 261 HG1 THR 36 HG1 THR 36 -11.459 -6.160 1.072 262 1HG2 THR 36 1HG2 THR 36 -9.940 -3.135 0.046 263 2HG2 THR 36 2HG2 THR 36 -10.373 -3.703 1.696 264 3HG2 THR 36 3HG2 THR 36 -9.567 -4.823 0.543 265 H SER 37 H SER 37 -14.916 -3.422 1.449 266 HA SER 37 HA SER 37 -13.758 -2.250 3.921 267 1HB SER 37 2HB SER 37 -16.479 -1.807 4.053 268 2HB SER 37 1HB SER 37 -15.247 -0.616 3.688 269 HG SER 37 HG SER 37 -16.900 -0.685 2.088 270 H LYS 38 H LYS 38 -15.707 -4.691 2.443 271 HA LYS 38 HA LYS 38 -16.273 -5.852 5.101 272 1HB LYS 38 2HB LYS 38 -18.157 -6.833 4.271 273 2HB LYS 38 1HB LYS 38 -18.086 -5.387 3.283 274 1HG LYS 38 2HG LYS 38 -17.031 -6.636 1.481 275 2HG LYS 38 1HG LYS 38 -16.997 -8.080 2.473 276 1HD LYS 38 2HD LYS 38 -18.899 -8.472 1.235 277 2HD LYS 38 1HD LYS 38 -19.589 -7.652 2.622 278 1HE LYS 38 2HE LYS 38 -20.441 -6.793 0.444 279 2HE LYS 38 1HE LYS 38 -19.662 -5.562 1.417 280 1HZ LYS 38 1HZ LYS 38 -17.680 -5.863 0.125 281 2HZ LYS 38 2HZ LYS 38 -18.416 -7.027 -0.795 282 3HZ LYS 38 3HZ LYS 38 -18.951 -5.461 -0.856 283 H LYS 39 H LYS 39 -15.064 -6.642 1.881 284 HA LYS 39 HA LYS 39 -14.175 -9.253 2.628 285 1HB LYS 39 2HB LYS 39 -14.534 -7.981 0.266 286 2HB LYS 39 1HB LYS 39 -12.786 -7.999 0.389 287 1HG LYS 39 2HG LYS 39 -13.409 -10.009 -0.731 288 2HG LYS 39 1HG LYS 39 -12.956 -10.466 0.898 289 1HD LYS 39 2HD LYS 39 -14.931 -11.638 0.640 290 2HD LYS 39 1HD LYS 39 -15.510 -10.161 1.384 291 1HE LYS 39 2HE LYS 39 -16.982 -10.305 -0.375 292 2HE LYS 39 1HE LYS 39 -15.704 -9.383 -1.140 293 1HZ LYS 39 1HZ LYS 39 -14.825 -11.420 -2.018 294 2HZ LYS 39 2HZ LYS 39 -16.033 -12.292 -1.294 295 3HZ LYS 39 3HZ LYS 39 -16.396 -11.215 -2.499 296 H TRP 40 H TRP 40 -12.546 -9.879 3.786 297 HA TRP 40 HA TRP 40 -10.127 -8.218 3.870 298 1HB TRP 40 2HB TRP 40 -11.693 -8.957 6.314 299 2HB TRP 40 1HB TRP 40 -10.039 -8.380 6.345 300 HD1 TRP 40 HD1 TRP 40 -13.012 -6.932 7.334 301 HE1 TRP 40 HE1 TRP 40 -9.416 -6.654 3.767 302 HE3 TRP 40 HE3 TRP 40 -13.288 -4.415 6.788 303 HZ2 TRP 40 HZ2 TRP 40 -9.026 -4.449 2.679 304 HZ3 TRP 40 HZ3 TRP 40 -12.079 -2.553 5.018 305 HH2 TRP 40 HH2 TRP 40 -10.289 -2.444 3.252 306 H GLY 41 H GLY 41 -8.370 -9.394 3.744 307 1HA GLY 41 2HA GLY 41 -8.654 -12.314 4.265 308 2HA GLY 41 1HA GLY 41 -7.681 -11.652 2.967 309 H THR 42 H THR 42 -6.741 -13.443 4.920 310 HA THR 42 HA THR 42 -5.447 -12.235 7.098 311 HB THR 42 HB THR 42 -5.646 -14.647 6.931 312 HG1 THR 42 HG1 THR 42 -3.373 -15.040 7.319 313 1HG2 THR 42 1HG2 THR 42 -5.358 -14.828 4.400 314 2HG2 THR 42 2HG2 THR 42 -3.623 -14.423 4.643 315 3HG2 THR 42 3HG2 THR 42 -4.295 -15.945 5.325 316 H ARG 43 H ARG 43 -4.582 -12.424 3.723 317 HA ARG 43 HA ARG 43 -2.017 -11.066 4.263 318 1HB ARG 43 2HB ARG 43 -3.059 -12.742 2.112 319 2HB ARG 43 1HB ARG 43 -2.172 -11.339 1.550 320 1HG ARG 43 2HG ARG 43 -0.359 -12.025 3.215 321 2HG ARG 43 1HG ARG 43 -1.204 -13.555 3.331 322 1HD ARG 43 2HD ARG 43 -0.593 -12.555 0.606 323 2HD ARG 43 1HD ARG 43 0.752 -13.147 1.560 324 HE ARG 43 HE ARG 43 -1.337 -15.045 1.767 325 1HH1 ARG 43 2HH1 ARG 43 0.861 -13.757 -0.715 326 2HH1 ARG 43 HH22 ARG 43 0.853 -15.230 -1.659 327 1HH2 ARG 43 1HH1 ARG 43 -1.339 -16.931 0.546 328 2HH2 ARG 43 2HH1 ARG 43 -0.409 -17.044 -0.932 329 H ASP 44 H ASP 44 -5.059 -10.144 4.077 330 HA ASP 44 HA ASP 44 -4.559 -7.799 2.323 331 1HB ASP 44 2HB ASP 44 -6.782 -9.452 2.626 332 2HB ASP 44 1HB ASP 44 -7.202 -7.965 3.452 333 H LEU 45 H LEU 45 -5.393 -5.722 3.076 334 HA LEU 45 HA LEU 45 -4.787 -5.415 5.945 335 1HB LEU 45 2HB LEU 45 -3.730 -4.108 3.904 336 2HB LEU 45 1HB LEU 45 -5.097 -3.059 4.221 337 HG LEU 45 HG LEU 45 -4.309 -2.885 6.563 338 1HD1 LEU 45 1HD1 LEU 45 -2.970 -4.907 6.703 339 2HD1 LEU 45 2HD1 LEU 45 -1.836 -4.248 5.474 340 3HD1 LEU 45 3HD1 LEU 45 -1.971 -3.462 7.085 341 1HD2 LEU 45 1HD2 LEU 45 -2.425 -1.894 4.412 342 2HD2 LEU 45 2HD2 LEU 45 -3.928 -1.085 4.978 343 3HD2 LEU 45 3HD2 LEU 45 -2.525 -1.254 6.089 344 H GLN 46 H GLN 46 -6.056 -4.075 7.290 345 HA GLN 46 HA GLN 46 -8.901 -4.415 6.681 346 1HB GLN 46 2HB GLN 46 -8.287 -5.129 8.857 347 2HB GLN 46 1HB GLN 46 -7.452 -3.624 9.183 348 1HG GLN 46 2HG GLN 46 -9.396 -2.468 9.568 349 2HG GLN 46 1HG GLN 46 -10.332 -3.472 8.478 350 1HE2 GLN 46 1HE2 GLN 46 -10.652 -5.746 9.129 351 2HE2 GLN 46 2HE2 GLN 46 -10.979 -6.082 10.814 352 H VAL 47 H VAL 47 -7.360 -2.518 5.175 353 HA VAL 47 HA VAL 47 -7.850 0.123 6.108 354 HB VAL 47 HB VAL 47 -7.318 0.825 3.878 355 1HG1 VAL 47 1HG1 VAL 47 -5.453 0.175 5.310 356 2HG1 VAL 47 2HG1 VAL 47 -5.612 -1.524 4.745 357 3HG1 VAL 47 3HG1 VAL 47 -5.112 -0.237 3.594 358 1HG2 VAL 47 1HG2 VAL 47 -7.560 -2.094 3.103 359 2HG2 VAL 47 2HG2 VAL 47 -8.662 -0.763 2.606 360 3HG2 VAL 47 3HG2 VAL 47 -6.955 -0.776 2.040 361 H LYS 48 H LYS 48 -9.309 1.695 5.151 362 HA LYS 48 HA LYS 48 -11.917 0.423 4.549 363 1HB LYS 48 2HB LYS 48 -11.210 2.280 6.597 364 2HB LYS 48 1HB LYS 48 -12.414 2.987 5.538 365 1HG LYS 48 2HG LYS 48 -13.616 1.836 7.236 366 2HG LYS 48 1HG LYS 48 -13.729 0.841 5.798 367 1HD LYS 48 2HD LYS 48 -13.174 -0.741 7.389 368 2HD LYS 48 1HD LYS 48 -11.590 -0.307 6.781 369 1HE LYS 48 2HE LYS 48 -11.316 1.274 8.651 370 2HE LYS 48 1HE LYS 48 -12.888 0.803 9.267 371 1HZ LYS 48 1HZ LYS 48 -12.071 -1.424 9.513 372 2HZ LYS 48 2HZ LYS 48 -10.586 -0.980 8.931 373 3HZ LYS 48 3HZ LYS 48 -11.129 -0.366 10.370 374 HA PRO 49 HA PRO 49 -12.006 2.604 0.844 375 1HB PRO 49 2HB PRO 49 -14.716 2.960 0.482 376 2HB PRO 49 1HB PRO 49 -13.841 1.481 0.137 377 1HG PRO 49 2HG PRO 49 -15.661 2.077 2.349 378 2HG PRO 49 1HG PRO 49 -15.122 0.521 1.749 379 1HD PRO 49 2HD PRO 49 -14.225 1.865 4.087 380 2HD PRO 49 1HD PRO 49 -13.605 0.366 3.424 381 H GLY 50 H GLY 50 -11.456 4.599 0.392 382 1HA GLY 50 2HA GLY 50 -11.977 6.928 0.167 383 2HA GLY 50 1HA GLY 50 -13.037 6.816 1.557 384 H GLU 51 H GLU 51 -10.132 5.128 1.919 385 HA GLU 51 HA GLU 51 -9.060 7.329 3.590 386 1HB GLU 51 2HB GLU 51 -9.634 4.709 4.296 387 2HB GLU 51 1HB GLU 51 -7.889 4.760 4.144 388 1HG GLU 51 2HG GLU 51 -7.763 6.616 5.689 389 2HG GLU 51 1HG GLU 51 -9.510 6.720 5.760 390 H SER 52 H SER 52 -6.626 7.105 3.947 391 HA SER 52 HA SER 52 -5.407 6.778 1.261 392 1HB SER 52 2HB SER 52 -3.717 8.247 3.002 393 2HB SER 52 1HB SER 52 -4.493 8.779 1.524 394 HG SER 52 HG SER 52 -5.092 10.060 3.338 395 H LEU 53 H LEU 53 -3.836 5.381 0.941 396 HA LEU 53 HA LEU 53 -2.386 4.337 3.276 397 1HB LEU 53 2HB LEU 53 -3.208 2.304 3.241 398 2HB LEU 53 1HB LEU 53 -4.484 2.945 2.226 399 HG LEU 53 HG LEU 53 -2.048 1.441 1.410 400 1HD1 LEU 53 1HD1 LEU 53 -3.918 0.064 2.121 401 2HD1 LEU 53 2HD1 LEU 53 -5.000 0.932 0.976 402 3HD1 LEU 53 3HD1 LEU 53 -3.660 -0.089 0.348 403 1HD2 LEU 53 1HD2 LEU 53 -3.954 2.937 -0.403 404 2HD2 LEU 53 2HD2 LEU 53 -2.221 3.320 -0.120 405 3HD2 LEU 53 3HD2 LEU 53 -2.680 1.791 -0.945 406 H GLU 54 H GLU 54 -0.387 3.369 2.812 407 HA GLU 54 HA GLU 54 0.879 4.622 0.523 408 1HB GLU 54 2HB GLU 54 1.756 3.375 2.994 409 2HB GLU 54 1HB GLU 54 2.771 2.974 1.623 410 1HG GLU 54 2HG GLU 54 2.704 5.519 1.132 411 2HG GLU 54 1HG GLU 54 2.181 5.664 2.797 412 H VAL 55 H VAL 55 1.444 3.792 -1.352 413 HA VAL 55 HA VAL 55 0.758 0.945 -1.782 414 HB VAL 55 HB VAL 55 0.680 3.350 -3.495 415 1HG1 VAL 55 1HG1 VAL 55 2.142 1.867 -4.765 416 2HG1 VAL 55 2HG1 VAL 55 0.953 0.532 -4.575 417 3HG1 VAL 55 3HG1 VAL 55 0.526 1.986 -5.542 418 1HG2 VAL 55 1HG2 VAL 55 -1.180 0.984 -3.141 419 2HG2 VAL 55 2HG2 VAL 55 -1.372 2.612 -2.403 420 3HG2 VAL 55 3HG2 VAL 55 -1.493 2.414 -4.186 421 H ILE 56 H ILE 56 2.253 -0.500 -2.130 422 HA ILE 56 HA ILE 56 5.018 0.459 -2.388 423 HB ILE 56 HB ILE 56 4.074 -2.328 -1.909 424 1HG1 ILE 56 2HG1 ILE 56 4.626 -0.122 0.025 425 2HG1 ILE 56 1HG1 ILE 56 3.212 -1.150 -0.091 426 1HG2 ILE 56 1HG2 ILE 56 6.345 -2.225 -2.764 427 2HG2 ILE 56 2HG2 ILE 56 6.774 -1.027 -1.493 428 3HG2 ILE 56 3HG2 ILE 56 6.344 -2.711 -1.033 429 1HD1 ILE 56 1HG1 ILE 56 4.552 -3.109 0.603 430 2HD1 ILE 56 2HG1 ILE 56 6.003 -2.054 0.721 431 3HD1 ILE 56 3HG1 ILE 56 4.614 -1.801 1.835 432 H GLN 57 H GLN 57 5.486 -2.389 -3.505 433 HA GLN 57 HA GLN 57 5.304 -1.502 -6.305 434 1HB GLN 57 2HB GLN 57 6.893 -3.646 -4.952 435 2HB GLN 57 1HB GLN 57 6.770 -3.535 -6.696 436 1HG GLN 57 2HG GLN 57 7.805 -1.376 -4.863 437 2HG GLN 57 1HG GLN 57 8.785 -2.402 -5.891 438 1HE2 GLN 57 1HE2 GLN 57 7.961 -2.481 -8.233 439 2HE2 GLN 57 2HE2 GLN 57 7.649 -0.930 -8.980 440 H THR 58 H THR 58 4.576 -2.873 -7.978 441 HA THR 58 HA THR 58 2.090 -4.124 -7.337 442 HB THR 58 HB THR 58 2.304 -4.791 -9.852 443 HG1 THR 58 HG1 THR 58 4.081 -3.574 -10.766 444 1HG2 THR 58 1HG2 THR 58 1.112 -2.674 -9.065 445 2HG2 THR 58 2HG2 THR 58 2.709 -1.849 -9.105 446 3HG2 THR 58 3HG2 THR 58 1.979 -2.470 -10.627 447 H THR 59 H THR 59 1.690 -6.025 -6.543 448 HA THR 59 HA THR 59 3.645 -7.927 -5.940 449 HB THR 59 HB THR 59 0.659 -7.944 -6.077 450 HG1 THR 59 HG1 THR 59 1.181 -8.321 -3.828 451 1HG2 THR 59 1HG2 THR 59 1.405 -10.291 -6.757 452 2HG2 THR 59 2HG2 THR 59 2.418 -10.318 -5.272 453 3HG2 THR 59 3HG2 THR 59 0.628 -10.227 -5.137 454 H ASP 60 H ASP 60 1.056 -8.601 -8.253 455 HA ASP 60 HA ASP 60 3.015 -10.162 -9.853 456 1HB ASP 60 2HB ASP 60 1.216 -11.553 -9.245 457 2HB ASP 60 1HB ASP 60 0.039 -10.294 -9.560 458 H ASP 61 H ASP 61 -0.089 -9.092 -10.980 459 HA ASP 61 HA ASP 61 1.273 -7.294 -12.928 460 1HB ASP 61 2HB ASP 61 -0.925 -9.262 -13.220 461 2HB ASP 61 1HB ASP 61 -1.015 -7.789 -14.165 462 H THR 62 H THR 62 -1.896 -7.970 -11.464 463 HA THR 62 HA THR 62 -2.290 -5.036 -11.225 464 HB THR 62 HB THR 62 -4.673 -6.800 -11.346 465 HG1 THR 62 HG1 THR 62 -4.279 -6.937 -13.648 466 1HG2 THR 62 1HG2 THR 62 -4.794 -4.249 -11.408 467 2HG2 THR 62 2HG2 THR 62 -3.829 -4.315 -12.924 468 3HG2 THR 62 3HG2 THR 62 -5.476 -5.035 -12.874 469 H LYS 63 H LYS 63 -1.000 -5.498 -9.235 470 HA LYS 63 HA LYS 63 -2.876 -5.670 -7.032 471 1HB LYS 63 2HB LYS 63 -2.482 -8.003 -7.242 472 2HB LYS 63 1HB LYS 63 -0.750 -7.757 -7.345 473 1HG LYS 63 2HG LYS 63 -1.032 -8.402 -5.127 474 2HG LYS 63 1HG LYS 63 -1.013 -6.654 -5.011 475 1HD LYS 63 2HD LYS 63 -2.916 -6.968 -3.823 476 2HD LYS 63 1HD LYS 63 -3.651 -7.081 -5.409 477 1HE LYS 63 2HE LYS 63 -4.397 -8.959 -4.099 478 2HE LYS 63 1HE LYS 63 -3.297 -9.553 -5.327 479 1HZ LYS 63 1HZ LYS 63 -1.557 -9.561 -3.695 480 2HZ LYS 63 2HZ LYS 63 -2.596 -9.000 -2.535 481 3HZ LYS 63 3HZ LYS 63 -2.823 -10.503 -3.192 482 H VAL 64 H VAL 64 -2.379 -4.296 -5.506 483 HA VAL 64 HA VAL 64 0.408 -3.278 -5.477 484 HB VAL 64 HB VAL 64 -0.615 -1.113 -4.735 485 1HG1 VAL 64 1HG1 VAL 64 0.315 -1.394 -6.973 486 2HG1 VAL 64 2HG1 VAL 64 -1.245 -2.092 -7.533 487 3HG1 VAL 64 3HG1 VAL 64 -1.162 -0.370 -7.021 488 1HG2 VAL 64 1HG2 VAL 64 -3.145 -2.418 -5.773 489 2HG2 VAL 64 2HG2 VAL 64 -2.816 -1.931 -4.074 490 3HG2 VAL 64 3HG2 VAL 64 -2.961 -0.679 -5.356 491 H LEU 65 H LEU 65 1.474 -3.459 -3.667 492 HA LEU 65 HA LEU 65 0.028 -4.485 -1.341 493 1HB LEU 65 2HB LEU 65 1.835 -5.735 -1.287 494 2HB LEU 65 1HB LEU 65 2.712 -4.657 -2.354 495 HG LEU 65 HG LEU 65 3.110 -3.223 -0.324 496 1HD1 LEU 65 1HD1 LEU 65 1.412 -4.147 1.148 497 2HD1 LEU 65 2HD1 LEU 65 2.235 -5.745 1.104 498 3HD1 LEU 65 3HD1 LEU 65 3.046 -4.336 1.873 499 1HD2 LEU 65 1HD2 LEU 65 4.370 -5.972 -0.448 500 2HD2 LEU 65 2HD2 LEU 65 4.880 -4.517 -1.372 501 3HD2 LEU 65 3HD2 LEU 65 5.049 -4.550 0.417 502 H CYS 66 H CYS 66 -0.532 -3.400 0.379 503 HA CYS 66 HA CYS 66 0.139 -0.540 0.433 504 1HB CYS 66 2HB CYS 66 -2.103 -0.646 0.845 505 2HB CYS 66 1HB CYS 66 -1.992 -2.196 1.653 506 HG CYS 66 HG CYS 66 -2.754 -0.241 3.609 507 H ARG 67 H ARG 67 0.836 0.489 2.392 508 HA ARG 67 HA ARG 67 2.320 -1.323 4.207 509 1HB ARG 67 2HB ARG 67 3.656 -0.005 2.287 510 2HB ARG 67 1HB ARG 67 3.635 1.226 3.533 511 1HG ARG 67 2HG ARG 67 4.583 -0.410 5.128 512 2HG ARG 67 1HG ARG 67 4.664 -1.592 3.837 513 1HD ARG 67 2HD ARG 67 6.563 -0.706 3.025 514 2HD ARG 67 1HD ARG 67 5.918 0.921 3.095 515 HE ARG 67 HE ARG 67 6.664 -0.195 5.697 516 1HH1 ARG 67 2HH1 ARG 67 7.764 1.686 2.885 517 2HH1 ARG 67 HH22 ARG 67 9.063 2.463 3.762 518 1HH2 ARG 67 1HH1 ARG 67 8.336 0.809 6.811 519 2HH2 ARG 67 2HH1 ARG 67 9.386 1.957 6.011 520 H ASN 68 H ASN 68 2.545 -0.658 6.294 521 HA ASN 68 HA ASN 68 1.015 1.800 7.003 522 1HB ASN 68 2HB ASN 68 -0.053 -0.361 7.718 523 2HB ASN 68 1HB ASN 68 1.362 -0.660 8.708 524 1HD2 ASN 68 1HD2 ASN 68 -1.394 -0.374 9.509 525 2HD2 ASN 68 2HD2 ASN 68 -1.477 0.974 10.621 526 H GLU 69 H GLU 69 2.001 3.276 8.211 527 HA GLU 69 HA GLU 69 4.774 3.263 8.555 528 1HB GLU 69 2HB GLU 69 3.269 5.263 8.647 529 2HB GLU 69 1HB GLU 69 2.864 4.796 10.286 530 1HG GLU 69 2HG GLU 69 4.605 6.389 10.493 531 2HG GLU 69 1HG GLU 69 5.360 4.832 10.765 532 H GLU 70 H GLU 70 2.366 1.642 10.298 533 HA GLU 70 HA GLU 70 3.840 1.426 12.776 534 1HB GLU 70 2HB GLU 70 1.272 1.165 12.319 535 2HB GLU 70 1HB GLU 70 1.712 -0.511 12.058 536 1HG GLU 70 2HG GLU 70 1.041 -0.018 14.405 537 2HG GLU 70 1HG GLU 70 2.663 -0.664 14.266 538 H GLY 71 H GLY 71 4.335 0.219 9.776 539 1HA GLY 71 2HA GLY 71 6.073 -1.253 9.182 540 2HA GLY 71 1HA GLY 71 6.126 -1.858 10.825 541 H LYS 72 H LYS 72 2.987 -1.612 9.649 542 HA LYS 72 HA LYS 72 2.930 -4.530 9.191 543 1HB LYS 72 2HB LYS 72 1.539 -3.721 11.024 544 2HB LYS 72 1HB LYS 72 0.665 -2.695 9.904 545 1HG LYS 72 2HG LYS 72 -0.094 -4.656 8.669 546 2HG LYS 72 1HG LYS 72 0.824 -5.701 9.734 547 1HD LYS 72 2HD LYS 72 -1.418 -5.777 10.513 548 2HD LYS 72 1HD LYS 72 -0.548 -4.757 11.641 549 1HE LYS 72 2HE LYS 72 -1.898 -3.029 11.202 550 2HE LYS 72 1HE LYS 72 -1.585 -3.168 9.484 551 1HZ LYS 72 1HZ LYS 72 -3.261 -4.862 9.365 552 2HZ LYS 72 2HZ LYS 72 -3.557 -4.731 10.989 553 3HZ LYS 72 3HZ LYS 72 -3.898 -3.464 9.980 554 H TYR 73 H TYR 73 2.717 -5.316 7.263 555 HA TYR 73 HA TYR 73 1.885 -3.471 5.081 556 1HB TYR 73 2HB TYR 73 3.425 -6.060 5.180 557 2HB TYR 73 1HB TYR 73 3.019 -5.224 3.695 558 HD1 TYR 73 HD1 TYR 73 4.727 -4.003 2.745 559 HD2 TYR 73 HD2 TYR 73 4.562 -4.366 6.994 560 HE1 TYR 73 HE1 TYR 73 6.844 -2.622 2.952 561 HE2 TYR 73 HE2 TYR 73 6.680 -2.983 7.187 562 HH TYR 73 HH TYR 73 8.208 -1.912 6.110 563 H GLY 74 H GLY 74 0.595 -4.330 3.352 564 1HA GLY 74 2HA GLY 74 -0.892 -6.798 3.823 565 2HA GLY 74 1HA GLY 74 -1.841 -5.333 3.970 566 H TYR 75 H TYR 75 -2.317 -7.354 2.083 567 HA TYR 75 HA TYR 75 -1.367 -6.201 -0.485 568 1HB TYR 75 2HB TYR 75 -2.450 -8.793 0.505 569 2HB TYR 75 1HB TYR 75 -2.680 -8.390 -1.184 570 HD1 TYR 75 HD1 TYR 75 -0.902 -10.551 0.470 571 HD2 TYR 75 HD2 TYR 75 -0.134 -7.017 -1.798 572 HE1 TYR 75 HE1 TYR 75 1.435 -11.385 -0.054 573 HE2 TYR 75 HE2 TYR 75 2.200 -7.863 -2.312 574 HH TYR 75 HH TYR 75 3.615 -9.462 -2.026 575 H VAL 76 H VAL 76 -2.815 -5.716 -2.154 576 HA VAL 76 HA VAL 76 -5.669 -5.605 -1.460 577 HB VAL 76 HB VAL 76 -4.414 -3.167 -2.587 578 1HG1 VAL 76 1HG1 VAL 76 -6.844 -3.345 -2.696 579 2HG1 VAL 76 2HG1 VAL 76 -6.901 -3.638 -0.923 580 3HG1 VAL 76 3HG1 VAL 76 -6.350 -2.047 -1.553 581 1HG2 VAL 76 1HG2 VAL 76 -4.638 -3.794 0.369 582 2HG2 VAL 76 2HG2 VAL 76 -3.116 -3.602 -0.568 583 3HG2 VAL 76 3HG2 VAL 76 -4.210 -2.195 -0.331 584 H LEU 77 H LEU 77 -6.852 -6.348 -3.031 585 HA LEU 77 HA LEU 77 -5.617 -6.973 -5.559 586 1HB LEU 77 2HB LEU 77 -7.582 -8.105 -4.151 587 2HB LEU 77 1HB LEU 77 -8.520 -7.200 -5.322 588 HG LEU 77 HG LEU 77 -6.661 -9.467 -5.747 589 1HD1 LEU 77 1HD1 LEU 77 -9.007 -10.001 -5.411 590 2HD1 LEU 77 2HD1 LEU 77 -9.459 -8.872 -6.736 591 3HD1 LEU 77 3HD1 LEU 77 -8.515 -10.358 -7.103 592 1HD2 LEU 77 1HD2 LEU 77 -7.505 -7.496 -7.882 593 2HD2 LEU 77 2HD2 LEU 77 -5.836 -7.766 -7.271 594 3HD2 LEU 77 3HD2 LEU 77 -6.683 -9.067 -8.177 595 H ARG 78 H ARG 78 -5.951 -6.137 -7.553 596 HA ARG 78 HA ARG 78 -6.313 -3.359 -7.734 597 1HB ARG 78 2HB ARG 78 -6.365 -3.641 -10.119 598 2HB ARG 78 1HB ARG 78 -5.197 -4.763 -9.452 599 1HG ARG 78 2HG ARG 78 -6.332 -6.534 -10.227 600 2HG ARG 78 1HG ARG 78 -7.843 -5.932 -9.576 601 1HD ARG 78 2HD ARG 78 -7.090 -4.335 -11.829 602 2HD ARG 78 1HD ARG 78 -7.050 -6.027 -12.283 603 HE ARG 78 HE ARG 78 -9.377 -6.198 -11.911 604 1HH1 ARG 78 2HH1 ARG 78 -8.153 -2.992 -10.974 605 2HH1 ARG 78 HH22 ARG 78 -9.749 -2.286 -10.850 606 1HH2 ARG 78 1HH1 ARG 78 -11.421 -5.279 -11.748 607 2HH2 ARG 78 2HH1 ARG 78 -11.617 -3.601 -11.295 608 H SER 79 H SER 79 -8.584 -5.904 -7.531 609 HA SER 79 HA SER 79 -10.804 -4.915 -8.867 610 1HB SER 79 2HB SER 79 -11.012 -7.036 -7.886 611 2HB SER 79 1HB SER 79 -10.591 -6.431 -6.297 612 HG SER 79 HG SER 79 -12.848 -6.817 -6.518 613 H TYR 80 H TYR 80 -10.035 -4.361 -5.443 614 HA TYR 80 HA TYR 80 -11.619 -1.833 -5.589 615 1HB TYR 80 2HB TYR 80 -11.747 -2.258 -3.080 616 2HB TYR 80 1HB TYR 80 -12.641 -3.366 -4.101 617 HD1 TYR 80 HD1 TYR 80 -12.047 -5.691 -4.250 618 HD2 TYR 80 HD2 TYR 80 -9.680 -2.979 -1.957 619 HE1 TYR 80 HE1 TYR 80 -10.836 -7.645 -3.176 620 HE2 TYR 80 HE2 TYR 80 -8.475 -4.942 -0.892 621 HH TYR 80 HH TYR 80 -8.308 -7.087 -0.800 622 H LEU 81 H LEU 81 -9.656 -0.802 -6.412 623 HA LEU 81 HA LEU 81 -8.208 0.432 -4.284 624 1HB LEU 81 2HB LEU 81 -6.873 -1.437 -4.100 625 2HB LEU 81 1HB LEU 81 -6.833 -1.695 -5.832 626 HG LEU 81 HG LEU 81 -4.748 -0.840 -4.588 627 1HD1 LEU 81 1HD1 LEU 81 -4.853 -1.165 -6.992 628 2HD1 LEU 81 2HD1 LEU 81 -5.691 0.415 -7.174 629 3HD1 LEU 81 3HD1 LEU 81 -3.988 0.361 -6.599 630 1HD2 LEU 81 1HD2 LEU 81 -6.270 1.749 -4.960 631 2HD2 LEU 81 2HD2 LEU 81 -5.792 1.001 -3.397 632 3HD2 LEU 81 3HD2 LEU 81 -4.531 1.613 -4.522 633 H ALA 82 H ALA 82 -7.267 2.310 -4.876 634 HA ALA 82 HA ALA 82 -8.220 3.572 -7.179 635 1HB ALA 82 1HB ALA 82 -7.409 4.790 -5.214 636 2HB ALA 82 2HB ALA 82 -5.738 4.221 -5.556 637 3HB ALA 82 3HB ALA 82 -6.559 5.339 -6.700 638 H ASP 83 H ASP 83 -6.845 4.550 -8.920 639 HA ASP 83 HA ASP 83 -5.829 2.513 -10.578 640 1HB ASP 83 2HB ASP 83 -5.692 5.470 -10.567 641 2HB ASP 83 1HB ASP 83 -4.565 4.611 -11.598 Start of MODEL 20 1 H GLU 7 H1 GLU 7 6.324 -4.360 16.092 2 HA GLU 7 HA GLU 7 6.912 -3.599 13.969 3 1HB GLU 7 2HB GLU 7 9.133 -2.587 15.230 4 2HB GLU 7 1HB GLU 7 9.774 -3.915 14.284 5 1HG GLU 7 2HG GLU 7 8.850 -3.011 12.262 6 2HG GLU 7 1HG GLU 7 7.966 -1.789 13.154 7 H LYS 8 H LYS 8 6.820 -5.993 15.914 8 HA LYS 8 HA LYS 8 8.354 -7.974 14.435 9 1HB LYS 8 2HB LYS 8 6.598 -8.079 16.839 10 2HB LYS 8 1HB LYS 8 7.100 -9.551 16.032 11 1HG LYS 8 2HG LYS 8 9.030 -9.455 17.155 12 2HG LYS 8 1HG LYS 8 9.415 -7.978 16.295 13 1HD LYS 8 2HD LYS 8 8.818 -6.639 18.049 14 2HD LYS 8 1HD LYS 8 7.585 -7.748 18.614 15 1HE LYS 8 2HE LYS 8 9.569 -9.283 19.243 16 2HE LYS 8 1HE LYS 8 10.541 -7.833 19.095 17 1HZ LYS 8 1HZ LYS 8 9.128 -6.778 20.701 18 2HZ LYS 8 2HZ LYS 8 8.209 -8.149 20.842 19 3HZ LYS 8 3HZ LYS 8 9.790 -8.158 21.333 20 H GLU 9 H GLU 9 5.427 -6.409 14.118 21 HA GLU 9 HA GLU 9 3.878 -8.532 12.983 22 1HB GLU 9 2HB GLU 9 3.620 -5.609 13.208 23 2HB GLU 9 1HB GLU 9 2.746 -6.369 11.894 24 1HG GLU 9 2HG GLU 9 2.566 -7.214 14.782 25 2HG GLU 9 1HG GLU 9 1.398 -6.190 13.970 26 H GLU 10 H GLU 10 6.363 -6.458 11.825 27 HA GLU 10 HA GLU 10 5.817 -6.601 9.053 28 1HB GLU 10 2HB GLU 10 7.388 -5.000 9.545 29 2HB GLU 10 1HB GLU 10 8.252 -6.041 10.660 30 1HG GLU 10 2HG GLU 10 9.184 -7.315 8.853 31 2HG GLU 10 1HG GLU 10 8.173 -6.490 7.684 32 H LYS 11 H LYS 11 7.295 -8.809 11.284 33 HA LYS 11 HA LYS 11 8.486 -10.511 9.336 34 1HB LYS 11 2HB LYS 11 7.623 -11.130 12.142 35 2HB LYS 11 1HB LYS 11 8.646 -12.148 11.149 36 1HG LYS 11 2HG LYS 11 9.461 -9.316 11.493 37 2HG LYS 11 1HG LYS 11 9.658 -10.384 12.868 38 1HD LYS 11 2HD LYS 11 11.330 -11.558 11.882 39 2HD LYS 11 1HD LYS 11 10.600 -11.457 10.293 40 1HE LYS 11 2HE LYS 11 12.707 -10.208 10.363 41 2HE LYS 11 1HE LYS 11 11.353 -9.129 10.091 42 1HZ LYS 11 1HZ LYS 11 11.375 -8.595 12.416 43 2HZ LYS 11 2HZ LYS 11 12.654 -9.614 12.672 44 3HZ LYS 11 3HZ LYS 11 12.847 -8.263 11.734 45 H ASP 12 H ASP 12 5.299 -10.201 10.671 46 HA ASP 12 HA ASP 12 4.219 -12.677 9.795 47 1HB ASP 12 2HB ASP 12 3.114 -11.021 11.328 48 2HB ASP 12 1HB ASP 12 2.769 -10.050 9.911 49 H PHE 13 H PHE 13 4.626 -9.533 8.265 50 HA PHE 13 HA PHE 13 3.185 -10.117 5.864 51 1HB PHE 13 2HB PHE 13 3.540 -7.876 6.163 52 2HB PHE 13 1HB PHE 13 5.126 -8.119 6.864 53 HD1 PHE 13 HD1 PHE 13 7.080 -8.442 5.415 54 HD2 PHE 13 HD2 PHE 13 3.264 -7.530 3.824 55 HE1 PHE 13 HE1 PHE 13 8.140 -7.805 3.238 56 HE2 PHE 13 HE2 PHE 13 4.324 -6.897 1.645 57 HZ PHE 13 HZ PHE 13 6.750 -7.039 1.380 58 H ARG 14 H ARG 14 6.662 -10.032 6.604 59 HA ARG 14 HA ARG 14 7.552 -10.943 4.085 60 1HB ARG 14 2HB ARG 14 9.275 -10.092 5.355 61 2HB ARG 14 1HB ARG 14 8.735 -10.898 6.814 62 1HG ARG 14 2HG ARG 14 9.558 -13.006 6.050 63 2HG ARG 14 1HG ARG 14 9.854 -12.375 4.443 64 1HD ARG 14 2HD ARG 14 11.780 -12.603 6.314 65 2HD ARG 14 1HD ARG 14 11.815 -11.394 5.047 66 HE ARG 14 HE ARG 14 11.191 -10.949 7.898 67 1HH1 ARG 14 2HH1 ARG 14 11.309 -9.608 4.605 68 2HH1 ARG 14 HH22 ARG 14 11.272 -7.946 5.151 69 1HH2 ARG 14 1HH1 ARG 14 11.143 -8.810 8.585 70 2HH2 ARG 14 2HH1 ARG 14 11.176 -7.496 7.431 71 H LYS 15 H LYS 15 6.243 -12.595 6.832 72 HA LYS 15 HA LYS 15 7.168 -15.191 6.345 73 1HB LYS 15 2HB LYS 15 6.111 -15.173 8.325 74 2HB LYS 15 1HB LYS 15 4.910 -14.012 7.796 75 1HG LYS 15 2HG LYS 15 4.676 -16.571 6.428 76 2HG LYS 15 1HG LYS 15 4.487 -16.714 8.164 77 1HD LYS 15 2HD LYS 15 2.698 -15.125 8.177 78 2HD LYS 15 1HD LYS 15 2.992 -14.696 6.504 79 1HE LYS 15 2HE LYS 15 1.281 -16.152 6.141 80 2HE LYS 15 1HE LYS 15 2.573 -17.333 6.214 81 1HZ LYS 15 1HZ LYS 15 2.098 -17.638 8.532 82 2HZ LYS 15 2HZ LYS 15 0.877 -16.523 8.463 83 3HZ LYS 15 3HZ LYS 15 0.749 -17.943 7.621 84 H LYS 16 H LYS 16 4.094 -13.764 5.292 85 HA LYS 16 HA LYS 16 3.787 -15.902 3.330 86 1HB LYS 16 2HB LYS 16 1.933 -14.814 4.773 87 2HB LYS 16 1HB LYS 16 1.935 -13.585 3.525 88 1HG LYS 16 2HG LYS 16 0.278 -15.227 2.945 89 2HG LYS 16 1HG LYS 16 1.621 -15.398 1.833 90 1HD LYS 16 2HD LYS 16 1.816 -17.033 4.268 91 2HD LYS 16 1HD LYS 16 0.498 -17.462 3.195 92 1HE LYS 16 2HE LYS 16 2.941 -16.989 1.720 93 2HE LYS 16 1HE LYS 16 3.162 -18.230 2.937 94 1HZ LYS 16 1HZ LYS 16 1.253 -19.361 2.060 95 2HZ LYS 16 2HZ LYS 16 1.044 -18.188 0.910 96 3HZ LYS 16 3HZ LYS 16 2.392 -19.150 0.877 97 H PHE 17 H PHE 17 4.783 -12.602 3.526 98 HA PHE 17 HA PHE 17 4.777 -12.231 0.615 99 1HB PHE 17 2HB PHE 17 5.588 -10.608 3.007 100 2HB PHE 17 1HB PHE 17 5.891 -10.059 1.370 101 HD1 PHE 17 HD1 PHE 17 3.034 -11.477 3.288 102 HD2 PHE 17 HD2 PHE 17 4.386 -8.541 0.554 103 HE1 PHE 17 HE1 PHE 17 0.727 -10.509 3.187 104 HE2 PHE 17 HE2 PHE 17 2.079 -7.575 0.451 105 HZ PHE 17 HZ PHE 17 0.277 -8.570 1.768 106 H LYS 18 H LYS 18 6.407 -14.362 1.862 107 HA LYS 18 HA LYS 18 9.040 -13.935 2.221 108 1HB LYS 18 2HB LYS 18 7.486 -16.097 1.214 109 2HB LYS 18 1HB LYS 18 9.006 -16.018 0.346 110 1HG LYS 18 2HG LYS 18 8.938 -15.826 3.335 111 2HG LYS 18 1HG LYS 18 8.915 -17.386 2.537 112 1HD LYS 18 2HD LYS 18 11.126 -17.289 2.245 113 2HD LYS 18 1HD LYS 18 10.957 -15.794 1.348 114 1HE LYS 18 2HE LYS 18 11.518 -14.501 3.137 115 2HE LYS 18 1HE LYS 18 10.743 -15.574 4.286 116 1HZ LYS 18 1HZ LYS 18 12.573 -17.083 4.038 117 2HZ LYS 18 2HZ LYS 18 13.305 -16.069 2.952 118 3HZ LYS 18 3HZ LYS 18 13.114 -15.596 4.527 119 H TYR 19 H TYR 19 7.479 -12.307 0.033 120 HA TYR 19 HA TYR 19 9.060 -12.426 -2.336 121 1HB TYR 19 2HB TYR 19 7.134 -11.259 -2.666 122 2HB TYR 19 1HB TYR 19 7.104 -10.664 -1.018 123 HD1 TYR 19 HD1 TYR 19 7.149 -8.367 -0.844 124 HD2 TYR 19 HD2 TYR 19 9.336 -10.245 -3.992 125 HE1 TYR 19 HE1 TYR 19 7.943 -6.100 -1.655 126 HE2 TYR 19 HE2 TYR 19 10.123 -7.971 -4.792 127 HH TYR 19 HH TYR 19 10.052 -5.845 -4.454 128 H ASP 20 H ASP 20 11.102 -11.890 -2.647 129 HA ASP 20 HA ASP 20 12.410 -10.073 -0.702 130 1HB ASP 20 2HB ASP 20 13.390 -12.156 -2.595 131 2HB ASP 20 1HB ASP 20 14.468 -10.872 -2.084 132 H GLY 21 H GLY 21 11.881 -8.060 -1.376 133 1HA GLY 21 2HA GLY 21 13.104 -7.214 -3.917 134 2HA GLY 21 1HA GLY 21 11.388 -6.917 -3.723 135 H GLU 22 H GLU 22 12.279 -4.682 -4.092 136 HA GLU 22 HA GLU 22 13.346 -3.525 -1.593 137 1HB GLU 22 2HB GLU 22 14.596 -2.978 -3.602 138 2HB GLU 22 1HB GLU 22 13.149 -2.320 -4.338 139 1HG GLU 22 2HG GLU 22 13.148 -0.881 -2.089 140 2HG GLU 22 1HG GLU 22 14.869 -1.184 -2.209 141 H ILE 23 H ILE 23 11.584 -3.469 -0.297 142 HA ILE 23 HA ILE 23 9.077 -2.407 -1.205 143 HB ILE 23 HB ILE 23 10.060 -3.710 1.088 144 1HG1 ILE 23 2HG1 ILE 23 7.206 -3.030 0.528 145 2HG1 ILE 23 1HG1 ILE 23 8.084 -4.226 -0.404 146 1HG2 ILE 23 1HG2 ILE 23 10.171 -1.551 2.196 147 2HG2 ILE 23 2HG2 ILE 23 8.471 -1.212 1.719 148 3HG2 ILE 23 3HG2 ILE 23 8.833 -2.540 2.876 149 1HD1 ILE 23 1HG1 ILE 23 8.574 -5.503 1.656 150 2HD1 ILE 23 2HG1 ILE 23 7.673 -4.276 2.612 151 3HD1 ILE 23 3HG1 ILE 23 6.804 -5.299 1.416 152 H ARG 24 H ARG 24 8.865 -0.435 -1.882 153 HA ARG 24 HA ARG 24 9.558 1.749 -0.075 154 1HB ARG 24 2HB ARG 24 11.649 1.457 -1.340 155 2HB ARG 24 1HB ARG 24 10.756 1.653 -2.835 156 1HG ARG 24 2HG ARG 24 11.499 3.806 -2.532 157 2HG ARG 24 1HG ARG 24 9.969 3.891 -1.681 158 1HD ARG 24 2HD ARG 24 11.592 3.036 0.313 159 2HD ARG 24 1HD ARG 24 12.717 4.000 -0.623 160 HE ARG 24 HE ARG 24 10.442 5.586 -0.407 161 1HH1 ARG 24 2HH1 ARG 24 12.679 4.038 1.886 162 2HH1 ARG 24 HH22 ARG 24 12.442 5.253 3.122 163 1HH2 ARG 24 1HH1 ARG 24 10.147 7.140 1.191 164 2HH2 ARG 24 2HH1 ARG 24 10.991 7.026 2.719 165 H VAL 25 H VAL 25 7.897 3.040 -0.027 166 HA VAL 25 HA VAL 25 5.793 2.859 -1.948 167 HB VAL 25 HB VAL 25 5.285 3.426 0.294 168 1HG1 VAL 25 1HG1 VAL 25 7.392 4.469 0.945 169 2HG1 VAL 25 2HG1 VAL 25 7.006 5.891 -0.085 170 3HG1 VAL 25 3HG1 VAL 25 6.001 5.530 1.361 171 1HG2 VAL 25 1HG2 VAL 25 4.812 5.823 -1.498 172 2HG2 VAL 25 2HG2 VAL 25 3.780 4.356 -1.385 173 3HG2 VAL 25 3HG2 VAL 25 3.926 5.463 0.024 174 H LEU 26 H LEU 26 6.308 3.283 -3.983 175 HA LEU 26 HA LEU 26 7.793 5.743 -4.573 176 1HB LEU 26 2HB LEU 26 8.111 3.381 -5.632 177 2HB LEU 26 1HB LEU 26 6.828 3.929 -6.692 178 HG LEU 26 HG LEU 26 9.627 4.806 -6.492 179 1HD1 LEU 26 1HD1 LEU 26 8.974 3.296 -8.278 180 2HD1 LEU 26 2HD1 LEU 26 7.712 4.460 -8.809 181 3HD1 LEU 26 3HD1 LEU 26 9.451 4.895 -8.948 182 1HD2 LEU 26 1HD2 LEU 26 7.402 6.662 -7.367 183 2HD2 LEU 26 2HD2 LEU 26 8.472 6.870 -5.937 184 3HD2 LEU 26 3HD2 LEU 26 9.161 6.959 -7.595 185 H TYR 27 H TYR 27 4.702 4.206 -5.306 186 HA TYR 27 HA TYR 27 3.605 6.918 -5.912 187 1HB TYR 27 2HB TYR 27 2.245 5.840 -7.595 188 2HB TYR 27 1HB TYR 27 3.925 5.431 -7.880 189 HD1 TYR 27 HD1 TYR 27 0.621 4.163 -7.209 190 HD2 TYR 27 HD2 TYR 27 4.770 3.162 -7.196 191 HE1 TYR 27 HE1 TYR 27 0.032 1.696 -7.180 192 HE2 TYR 27 HE2 TYR 27 4.167 0.698 -7.170 193 HH TYR 27 HH TYR 27 2.564 -0.740 -7.153 194 H SER 28 H SER 28 2.904 7.128 -3.743 195 HA SER 28 HA SER 28 1.195 5.138 -2.547 196 1HB SER 28 2HB SER 28 2.390 6.500 -1.039 197 2HB SER 28 1HB SER 28 1.849 7.970 -1.825 198 HG SER 28 HG SER 28 0.711 7.553 0.130 199 H THR 29 H THR 29 -0.692 4.648 -3.358 200 HA THR 29 HA THR 29 -2.302 6.766 -4.615 201 HB THR 29 HB THR 29 -1.787 4.299 -5.503 202 HG1 THR 29 HG1 THR 29 -3.777 4.694 -6.668 203 1HG2 THR 29 1HG2 THR 29 -3.019 3.195 -3.555 204 2HG2 THR 29 2HG2 THR 29 -4.488 4.095 -4.072 205 3HG2 THR 29 3HG2 THR 29 -3.763 2.858 -5.157 206 H LYS 30 H LYS 30 -4.602 6.898 -4.182 207 HA LYS 30 HA LYS 30 -5.063 6.606 -1.280 208 1HB LYS 30 2HB LYS 30 -5.252 8.864 -1.901 209 2HB LYS 30 1HB LYS 30 -6.232 8.476 -3.300 210 1HG LYS 30 2HG LYS 30 -7.460 7.449 -0.910 211 2HG LYS 30 1HG LYS 30 -7.136 9.161 -0.735 212 1HD LYS 30 2HD LYS 30 -8.146 9.067 -3.261 213 2HD LYS 30 1HD LYS 30 -9.050 7.784 -2.483 214 1HE LYS 30 2HE LYS 30 -8.814 10.296 -0.953 215 2HE LYS 30 1HE LYS 30 -9.792 10.375 -2.404 216 1HZ LYS 30 1HZ LYS 30 -11.055 8.519 -1.596 217 2HZ LYS 30 2HZ LYS 30 -10.130 8.444 -0.225 218 3HZ LYS 30 3HZ LYS 30 -11.093 9.762 -0.503 219 H VAL 31 H VAL 31 -6.722 5.510 -0.437 220 HA VAL 31 HA VAL 31 -7.862 3.467 -2.110 221 HB VAL 31 HB VAL 31 -8.907 4.019 0.594 222 1HG1 VAL 31 1HG1 VAL 31 -9.755 2.089 -0.632 223 2HG1 VAL 31 2HG1 VAL 31 -8.075 1.483 -0.840 224 3HG1 VAL 31 3HG1 VAL 31 -8.804 1.565 0.801 225 1HG2 VAL 31 1HG2 VAL 31 -6.119 2.955 0.068 226 2HG2 VAL 31 2HG2 VAL 31 -6.534 4.514 0.863 227 3HG2 VAL 31 3HG2 VAL 31 -6.955 2.958 1.660 228 H THR 32 H THR 32 -9.848 3.229 -2.937 229 HA THR 32 HA THR 32 -11.389 5.693 -3.207 230 HB THR 32 HB THR 32 -11.320 3.039 -4.580 231 HG1 THR 32 HG1 THR 32 -11.134 4.627 -6.287 232 1HG2 THR 32 1HG2 THR 32 -13.792 3.570 -4.206 233 2HG2 THR 32 2HG2 THR 32 -13.482 5.178 -4.947 234 3HG2 THR 32 3HG2 THR 32 -13.286 3.684 -5.928 235 H THR 33 H THR 33 -13.228 6.213 -2.270 236 HA THR 33 HA THR 33 -14.072 5.061 0.092 237 HB THR 33 HB THR 33 -14.774 7.291 -0.642 238 HG1 THR 33 HG1 THR 33 -16.998 6.912 -0.022 239 1HG2 THR 33 1HG2 THR 33 -15.239 6.703 -3.083 240 2HG2 THR 33 2HG2 THR 33 -16.665 5.770 -2.510 241 3HG2 THR 33 3HG2 THR 33 -16.604 7.552 -2.278 242 H SER 34 H SER 34 -14.272 3.740 -2.968 243 HA SER 34 HA SER 34 -16.505 1.956 -2.190 244 1HB SER 34 2HB SER 34 -15.947 3.227 -4.598 245 2HB SER 34 1HB SER 34 -15.524 1.548 -4.863 246 HG SER 34 HG SER 34 -17.735 1.979 -5.335 247 H ILE 35 H ILE 35 -13.527 2.026 -1.444 248 HA ILE 35 HA ILE 35 -12.448 -0.387 -2.557 249 HB ILE 35 HB ILE 35 -11.429 1.711 -1.192 250 1HG1 ILE 35 2HG1 ILE 35 -10.498 -0.436 -2.646 251 2HG1 ILE 35 1HG1 ILE 35 -9.563 0.942 -2.099 252 1HG2 ILE 35 1HG2 ILE 35 -12.164 0.877 0.968 253 2HG2 ILE 35 2HG2 ILE 35 -11.318 -0.680 0.661 254 3HG2 ILE 35 3HG2 ILE 35 -10.370 0.836 0.853 255 1HD1 ILE 35 1HG1 ILE 35 -9.002 -0.242 -0.002 256 2HD1 ILE 35 2HG1 ILE 35 -9.961 -1.655 -0.563 257 3HD1 ILE 35 3HG1 ILE 35 -8.470 -1.173 -1.445 258 H THR 36 H THR 36 -11.664 -2.144 -0.966 259 HA THR 36 HA THR 36 -14.037 -3.451 -0.046 260 HB THR 36 HB THR 36 -12.162 -4.717 -0.975 261 HG1 THR 36 HG1 THR 36 -12.094 -6.180 0.850 262 1HG2 THR 36 1HG2 THR 36 -10.284 -3.269 -0.025 263 2HG2 THR 36 2HG2 THR 36 -10.707 -3.917 1.598 264 3HG2 THR 36 3HG2 THR 36 -10.085 -5.022 0.323 265 H SER 37 H SER 37 -15.118 -3.150 1.726 266 HA SER 37 HA SER 37 -13.638 -2.125 4.089 267 1HB SER 37 2HB SER 37 -16.320 -1.595 4.523 268 2HB SER 37 1HB SER 37 -15.081 -0.435 4.086 269 HG SER 37 HG SER 37 -16.882 -0.375 2.655 270 H LYS 38 H LYS 38 -15.802 -4.467 2.774 271 HA LYS 38 HA LYS 38 -16.140 -5.670 5.451 272 1HB LYS 38 2HB LYS 38 -18.137 -6.533 4.810 273 2HB LYS 38 1HB LYS 38 -18.091 -5.124 3.770 274 1HG LYS 38 2HG LYS 38 -17.269 -6.464 1.925 275 2HG LYS 38 1HG LYS 38 -17.170 -7.876 2.957 276 1HD LYS 38 2HD LYS 38 -19.219 -8.333 2.113 277 2HD LYS 38 1HD LYS 38 -19.762 -7.180 3.314 278 1HE LYS 38 2HE LYS 38 -20.556 -5.870 1.687 279 2HE LYS 38 1HE LYS 38 -18.938 -5.710 1.034 280 1HZ LYS 38 1HZ LYS 38 -19.291 -7.719 -0.203 281 2HZ LYS 38 2HZ LYS 38 -20.820 -7.870 0.414 282 3HZ LYS 38 3HZ LYS 38 -20.451 -6.598 -0.580 283 H LYS 39 H LYS 39 -15.306 -6.451 2.111 284 HA LYS 39 HA LYS 39 -14.408 -9.089 2.727 285 1HB LYS 39 2HB LYS 39 -14.930 -7.713 0.427 286 2HB LYS 39 1HB LYS 39 -13.187 -7.890 0.382 287 1HG LYS 39 2HG LYS 39 -13.921 -9.843 -0.655 288 2HG LYS 39 1HG LYS 39 -13.660 -10.364 0.997 289 1HD LYS 39 2HD LYS 39 -15.752 -11.238 0.649 290 2HD LYS 39 1HD LYS 39 -16.195 -9.653 1.250 291 1HE LYS 39 2HE LYS 39 -17.515 -10.007 -0.694 292 2HE LYS 39 1HE LYS 39 -16.250 -8.891 -1.168 293 1HZ LYS 39 1HZ LYS 39 -15.032 -10.731 -2.073 294 2HZ LYS 39 2HZ LYS 39 -16.227 -11.786 -1.625 295 3HZ LYS 39 3HZ LYS 39 -16.529 -10.631 -2.773 296 H TRP 40 H TRP 40 -12.675 -9.793 3.672 297 HA TRP 40 HA TRP 40 -10.221 -8.185 3.556 298 1HB TRP 40 2HB TRP 40 -11.558 -8.948 6.125 299 2HB TRP 40 1HB TRP 40 -9.888 -8.430 6.008 300 HD1 TRP 40 HD1 TRP 40 -12.729 -6.916 7.290 301 HE1 TRP 40 HE1 TRP 40 -9.404 -6.641 3.468 302 HE3 TRP 40 HE3 TRP 40 -12.948 -4.373 6.850 303 HZ2 TRP 40 HZ2 TRP 40 -9.014 -4.414 2.426 304 HZ3 TRP 40 HZ3 TRP 40 -11.805 -2.494 5.055 305 HH2 TRP 40 HH2 TRP 40 -10.153 -2.387 3.160 306 H GLY 41 H GLY 41 -8.400 -9.369 3.566 307 1HA GLY 41 2HA GLY 41 -8.788 -12.316 3.776 308 2HA GLY 41 1HA GLY 41 -7.739 -11.564 2.592 309 H THR 42 H THR 42 -6.896 -13.552 4.354 310 HA THR 42 HA THR 42 -5.686 -12.602 6.710 311 HB THR 42 HB THR 42 -5.254 -14.951 4.906 312 HG1 THR 42 HG1 THR 42 -5.953 -15.859 6.945 313 1HG2 THR 42 1HG2 THR 42 -2.961 -14.329 5.847 314 2HG2 THR 42 2HG2 THR 42 -3.708 -14.351 7.482 315 3HG2 THR 42 3HG2 THR 42 -3.618 -15.864 6.515 316 H ARG 43 H ARG 43 -4.629 -12.563 3.374 317 HA ARG 43 HA ARG 43 -2.102 -11.257 4.172 318 1HB ARG 43 2HB ARG 43 -2.944 -12.878 1.915 319 2HB ARG 43 1HB ARG 43 -2.105 -11.422 1.422 320 1HG ARG 43 2HG ARG 43 -0.420 -12.136 3.314 321 2HG ARG 43 1HG ARG 43 -1.107 -13.723 3.032 322 1HD ARG 43 2HD ARG 43 0.316 -11.961 1.046 323 2HD ARG 43 1HD ARG 43 0.807 -13.544 1.613 324 HE ARG 43 HE ARG 43 -1.805 -13.611 0.365 325 1HH1 ARG 43 2HH1 ARG 43 1.685 -13.596 -0.328 326 2HH1 ARG 43 HH22 ARG 43 1.503 -14.392 -1.876 327 1HH2 ARG 43 1HH1 ARG 43 -2.024 -14.633 -1.624 328 2HH2 ARG 43 2HH1 ARG 43 -0.624 -14.983 -2.613 329 H ASP 44 H ASP 44 -5.076 -10.269 3.897 330 HA ASP 44 HA ASP 44 -4.521 -7.915 2.181 331 1HB ASP 44 2HB ASP 44 -6.796 -9.498 2.546 332 2HB ASP 44 1HB ASP 44 -7.144 -7.978 3.345 333 H LEU 45 H LEU 45 -5.272 -5.818 2.962 334 HA LEU 45 HA LEU 45 -4.604 -5.548 5.820 335 1HB LEU 45 2HB LEU 45 -3.503 -4.276 3.807 336 2HB LEU 45 1HB LEU 45 -4.856 -3.194 4.068 337 HG LEU 45 HG LEU 45 -4.112 -3.021 6.442 338 1HD1 LEU 45 1HD1 LEU 45 -2.748 -5.026 6.589 339 2HD1 LEU 45 2HD1 LEU 45 -1.617 -4.353 5.364 340 3HD1 LEU 45 3HD1 LEU 45 -1.769 -3.567 6.974 341 1HD2 LEU 45 1HD2 LEU 45 -2.232 -2.008 4.296 342 2HD2 LEU 45 2HD2 LEU 45 -3.747 -1.217 4.856 343 3HD2 LEU 45 3HD2 LEU 45 -2.346 -1.367 5.973 344 H GLN 46 H GLN 46 -5.803 -4.168 7.193 345 HA GLN 46 HA GLN 46 -8.668 -4.414 6.636 346 1HB GLN 46 2HB GLN 46 -7.991 -5.150 8.803 347 2HB GLN 46 1HB GLN 46 -7.170 -3.635 9.117 348 1HG GLN 46 2HG GLN 46 -9.116 -2.511 9.546 349 2HG GLN 46 1HG GLN 46 -10.051 -3.492 8.436 350 1HE2 GLN 46 1HE2 GLN 46 -10.423 -5.753 9.034 351 2HE2 GLN 46 2HE2 GLN 46 -10.730 -6.135 10.713 352 H VAL 47 H VAL 47 -7.125 -2.575 5.085 353 HA VAL 47 HA VAL 47 -7.480 0.084 6.027 354 HB VAL 47 HB VAL 47 -7.148 0.711 3.668 355 1HG1 VAL 47 1HG1 VAL 47 -5.225 0.408 5.138 356 2HG1 VAL 47 2HG1 VAL 47 -5.211 -1.349 4.757 357 3HG1 VAL 47 3HG1 VAL 47 -4.845 -0.147 3.471 358 1HG2 VAL 47 1HG2 VAL 47 -7.093 -2.282 3.206 359 2HG2 VAL 47 2HG2 VAL 47 -8.324 -1.129 2.585 360 3HG2 VAL 47 3HG2 VAL 47 -6.626 -1.029 2.004 361 H LYS 48 H LYS 48 -8.970 1.678 5.397 362 HA LYS 48 HA LYS 48 -11.637 0.513 4.874 363 1HB LYS 48 2HB LYS 48 -10.713 2.418 6.779 364 2HB LYS 48 1HB LYS 48 -11.936 3.151 5.762 365 1HG LYS 48 2HG LYS 48 -13.246 2.181 7.401 366 2HG LYS 48 1HG LYS 48 -13.220 0.909 6.195 367 1HD LYS 48 2HD LYS 48 -12.798 -0.021 8.410 368 2HD LYS 48 1HD LYS 48 -11.373 -0.183 7.404 369 1HE LYS 48 2HE LYS 48 -10.154 1.014 8.847 370 2HE LYS 48 1HE LYS 48 -11.309 2.330 8.794 371 1HZ LYS 48 1HZ LYS 48 -12.617 1.184 10.426 372 2HZ LYS 48 2HZ LYS 48 -11.526 -0.061 10.476 373 3HZ LYS 48 3HZ LYS 48 -11.086 1.448 10.997 374 HA PRO 49 HA PRO 49 -11.886 2.509 1.072 375 1HB PRO 49 2HB PRO 49 -14.597 2.961 0.871 376 2HB PRO 49 1HB PRO 49 -13.806 1.432 0.546 377 1HG PRO 49 2HG PRO 49 -15.448 2.211 2.839 378 2HG PRO 49 1HG PRO 49 -15.011 0.607 2.286 379 1HD PRO 49 2HD PRO 49 -13.908 2.025 4.487 380 2HD PRO 49 1HD PRO 49 -13.393 0.471 3.864 381 H GLY 50 H GLY 50 -11.352 4.458 0.425 382 1HA GLY 50 2HA GLY 50 -11.767 6.789 0.132 383 2HA GLY 50 1HA GLY 50 -12.749 6.792 1.583 384 H GLU 51 H GLU 51 -9.921 4.999 1.927 385 HA GLU 51 HA GLU 51 -8.727 7.184 3.515 386 1HB GLU 51 2HB GLU 51 -8.983 4.363 3.914 387 2HB GLU 51 1HB GLU 51 -7.294 4.826 3.960 388 1HG GLU 51 2HG GLU 51 -7.820 5.234 6.146 389 2HG GLU 51 1HG GLU 51 -8.276 6.786 5.472 390 H SER 52 H SER 52 -6.271 7.072 3.649 391 HA SER 52 HA SER 52 -5.155 6.590 0.947 392 1HB SER 52 2HB SER 52 -3.728 8.713 1.551 393 2HB SER 52 1HB SER 52 -5.284 8.859 0.759 394 HG SER 52 HG SER 52 -5.077 10.286 2.552 395 H LEU 53 H LEU 53 -3.410 5.406 0.941 396 HA LEU 53 HA LEU 53 -1.626 5.501 3.272 397 1HB LEU 53 2HB LEU 53 -2.081 3.509 4.056 398 2HB LEU 53 1HB LEU 53 -3.464 3.471 2.982 399 HG LEU 53 HG LEU 53 -0.803 2.557 2.047 400 1HD1 LEU 53 1HD1 LEU 53 -1.131 1.351 4.131 401 2HD1 LEU 53 2HD1 LEU 53 -2.780 0.871 3.600 402 3HD1 LEU 53 3HD1 LEU 53 -1.337 0.249 2.725 403 1HD2 LEU 53 1HD2 LEU 53 -3.633 1.811 1.276 404 2HD2 LEU 53 2HD2 LEU 53 -2.517 2.879 0.356 405 3HD2 LEU 53 3HD2 LEU 53 -2.137 1.132 0.545 406 H GLU 54 H GLU 54 0.395 4.182 2.832 407 HA GLU 54 HA GLU 54 1.431 5.136 0.306 408 1HB GLU 54 2HB GLU 54 2.539 4.065 2.776 409 2HB GLU 54 1HB GLU 54 3.404 3.564 1.338 410 1HG GLU 54 2HG GLU 54 4.472 5.540 1.538 411 2HG GLU 54 1HG GLU 54 3.012 6.219 0.846 412 H VAL 55 H VAL 55 1.751 4.117 -1.530 413 HA VAL 55 HA VAL 55 0.962 1.266 -1.605 414 HB VAL 55 HB VAL 55 0.710 3.514 -3.485 415 1HG1 VAL 55 1HG1 VAL 55 2.100 1.990 -4.785 416 2HG1 VAL 55 2HG1 VAL 55 0.969 0.643 -4.414 417 3HG1 VAL 55 3HG1 VAL 55 0.421 2.024 -5.426 418 1HG2 VAL 55 1HG2 VAL 55 -1.047 1.135 -2.831 419 2HG2 VAL 55 2HG2 VAL 55 -1.221 2.801 -2.177 420 3HG2 VAL 55 3HG2 VAL 55 -1.487 2.489 -3.928 421 H ILE 56 H ILE 56 2.317 -0.283 -2.148 422 HA ILE 56 HA ILE 56 5.100 0.525 -2.610 423 HB ILE 56 HB ILE 56 4.060 -2.223 -2.121 424 1HG1 ILE 56 2HG1 ILE 56 4.801 -0.094 -0.163 425 2HG1 ILE 56 1HG1 ILE 56 3.325 -1.035 -0.247 426 1HG2 ILE 56 1HG2 ILE 56 6.292 -2.184 -3.078 427 2HG2 ILE 56 2HG2 ILE 56 6.823 -1.030 -1.805 428 3HG2 ILE 56 3HG2 ILE 56 6.352 -2.707 -1.359 429 1HD1 ILE 56 1HG1 ILE 56 4.573 -3.087 0.340 430 2HD1 ILE 56 2HG1 ILE 56 6.087 -2.122 0.426 431 3HD1 ILE 56 3HG1 ILE 56 4.761 -1.821 1.602 432 H GLN 57 H GLN 57 5.425 -2.272 -3.804 433 HA GLN 57 HA GLN 57 4.965 -1.359 -6.569 434 1HB GLN 57 2HB GLN 57 7.072 -2.765 -5.296 435 2HB GLN 57 1HB GLN 57 6.383 -3.800 -6.530 436 1HG GLN 57 2HG GLN 57 7.841 -2.647 -7.851 437 2HG GLN 57 1HG GLN 57 6.498 -1.524 -7.924 438 1HE2 GLN 57 1HE2 GLN 57 9.690 -1.689 -7.637 439 2HE2 GLN 57 2HE2 GLN 57 10.038 -0.286 -6.651 440 H THR 58 H THR 58 4.192 -2.815 -8.184 441 HA THR 58 HA THR 58 1.799 -4.124 -7.332 442 HB THR 58 HB THR 58 1.807 -4.815 -9.834 443 HG1 THR 58 HG1 THR 58 3.504 -3.631 -10.925 444 1HG2 THR 58 1HG2 THR 58 0.695 -2.671 -9.001 445 2HG2 THR 58 2HG2 THR 58 2.287 -1.858 -9.198 446 3HG2 THR 58 3HG2 THR 58 1.428 -2.511 -10.636 447 H THR 59 H THR 59 1.407 -6.093 -6.677 448 HA THR 59 HA THR 59 3.482 -7.905 -6.097 449 HB THR 59 HB THR 59 0.486 -8.114 -6.186 450 HG1 THR 59 HG1 THR 59 1.031 -8.245 -3.914 451 1HG2 THR 59 1HG2 THR 59 1.457 -10.428 -6.663 452 2HG2 THR 59 2HG2 THR 59 2.462 -10.229 -5.186 453 3HG2 THR 59 3HG2 THR 59 0.671 -10.299 -5.052 454 H ASP 60 H ASP 60 0.828 -8.678 -8.301 455 HA ASP 60 HA ASP 60 2.776 -10.161 -9.984 456 1HB ASP 60 2HB ASP 60 1.055 -11.615 -9.286 457 2HB ASP 60 1HB ASP 60 -0.181 -10.408 -9.578 458 H ASP 61 H ASP 61 -0.411 -9.233 -10.987 459 HA ASP 61 HA ASP 61 0.789 -7.364 -12.976 460 1HB ASP 61 2HB ASP 61 -1.709 -9.010 -13.264 461 2HB ASP 61 1HB ASP 61 -1.010 -7.958 -14.478 462 H THR 62 H THR 62 -2.276 -8.217 -11.388 463 HA THR 62 HA THR 62 -2.857 -5.313 -11.188 464 HB THR 62 HB THR 62 -5.093 -7.266 -11.080 465 HG1 THR 62 HG1 THR 62 -4.860 -7.427 -13.403 466 1HG2 THR 62 1HG2 THR 62 -5.435 -4.736 -11.180 467 2HG2 THR 62 2HG2 THR 62 -4.583 -4.758 -12.763 468 3HG2 THR 62 3HG2 THR 62 -6.154 -5.613 -12.576 469 H LYS 63 H LYS 63 -1.373 -5.653 -9.285 470 HA LYS 63 HA LYS 63 -3.051 -5.764 -6.941 471 1HB LYS 63 2HB LYS 63 -2.715 -8.115 -7.117 472 2HB LYS 63 1HB LYS 63 -0.989 -7.902 -7.331 473 1HG LYS 63 2HG LYS 63 -0.725 -7.130 -5.084 474 2HG LYS 63 1HG LYS 63 -2.459 -7.021 -4.857 475 1HD LYS 63 2HD LYS 63 -2.443 -9.564 -5.374 476 2HD LYS 63 1HD LYS 63 -0.734 -9.463 -4.997 477 1HE LYS 63 2HE LYS 63 -1.528 -9.917 -2.898 478 2HE LYS 63 1HE LYS 63 -1.676 -8.172 -2.867 479 1HZ LYS 63 1HZ LYS 63 -3.953 -8.402 -3.541 480 2HZ LYS 63 2HZ LYS 63 -3.813 -10.051 -3.571 481 3HZ LYS 63 3HZ LYS 63 -3.681 -9.235 -2.136 482 H VAL 64 H VAL 64 -2.394 -4.377 -5.482 483 HA VAL 64 HA VAL 64 0.412 -3.437 -5.692 484 HB VAL 64 HB VAL 64 -0.265 -1.205 -5.353 485 1HG1 VAL 64 1HG1 VAL 64 -0.394 -1.965 -7.667 486 2HG1 VAL 64 2HG1 VAL 64 -2.094 -2.487 -7.401 487 3HG1 VAL 64 3HG1 VAL 64 -1.667 -0.742 -7.326 488 1HG2 VAL 64 1HG2 VAL 64 -3.091 -2.240 -5.001 489 2HG2 VAL 64 2HG2 VAL 64 -2.036 -1.558 -3.714 490 3HG2 VAL 64 3HG2 VAL 64 -2.610 -0.508 -5.056 491 H LEU 65 H LEU 65 1.572 -3.450 -3.919 492 HA LEU 65 HA LEU 65 0.251 -4.380 -1.478 493 1HB LEU 65 2HB LEU 65 2.120 -5.630 -1.855 494 2HB LEU 65 1HB LEU 65 3.053 -4.258 -2.415 495 HG LEU 65 HG LEU 65 3.148 -3.445 -0.099 496 1HD1 LEU 65 1HD1 LEU 65 1.156 -4.499 0.806 497 2HD1 LEU 65 2HD1 LEU 65 1.903 -6.119 0.576 498 3HD1 LEU 65 3HD1 LEU 65 2.605 -4.965 1.762 499 1HD2 LEU 65 1HD2 LEU 65 4.291 -6.207 -0.568 500 2HD2 LEU 65 2HD2 LEU 65 5.034 -4.643 -1.053 501 3HD2 LEU 65 3HD2 LEU 65 4.845 -5.048 0.689 502 H CYS 66 H CYS 66 -0.489 -3.097 -0.008 503 HA CYS 66 HA CYS 66 0.494 -0.315 0.034 504 1HB CYS 66 2HB CYS 66 -1.925 -1.480 1.389 505 2HB CYS 66 1HB CYS 66 -1.486 0.215 1.336 506 HG CYS 66 HG CYS 66 -3.573 -0.211 -0.587 507 H ARG 67 H ARG 67 0.927 0.714 2.071 508 HA ARG 67 HA ARG 67 1.780 -1.184 4.181 509 1HB ARG 67 2HB ARG 67 3.611 -0.082 2.523 510 2HB ARG 67 1HB ARG 67 3.532 1.138 3.779 511 1HG ARG 67 2HG ARG 67 3.862 -0.708 5.458 512 2HG ARG 67 1HG ARG 67 4.178 -1.785 4.112 513 1HD ARG 67 2HD ARG 67 6.192 -0.658 5.295 514 2HD ARG 67 1HD ARG 67 6.165 -0.694 3.543 515 HE ARG 67 HE ARG 67 5.018 1.691 4.869 516 1HH1 ARG 67 2HH1 ARG 67 7.729 0.243 3.077 517 2HH1 ARG 67 HH22 ARG 67 8.416 1.788 2.631 518 1HH2 ARG 67 1HH1 ARG 67 5.910 3.668 4.288 519 2HH2 ARG 67 2HH1 ARG 67 7.370 3.747 3.328 520 H ASN 68 H ASN 68 1.669 -0.463 6.256 521 HA ASN 68 HA ASN 68 0.380 2.203 6.602 522 1HB ASN 68 2HB ASN 68 -0.361 0.953 8.833 523 2HB ASN 68 1HB ASN 68 -1.311 0.855 7.364 524 1HD2 ASN 68 1HD2 ASN 68 0.989 -0.735 9.447 525 2HD2 ASN 68 2HD2 ASN 68 0.763 -2.365 8.854 526 H GLU 69 H GLU 69 1.150 3.535 8.145 527 HA GLU 69 HA GLU 69 3.819 3.299 8.949 528 1HB GLU 69 2HB GLU 69 1.809 5.213 9.202 529 2HB GLU 69 1HB GLU 69 2.349 4.881 10.835 530 1HG GLU 69 2HG GLU 69 4.073 5.699 8.503 531 2HG GLU 69 1HG GLU 69 3.688 6.670 9.909 532 H GLU 70 H GLU 70 1.100 1.687 10.084 533 HA GLU 70 HA GLU 70 1.719 1.349 12.812 534 1HB GLU 70 2HB GLU 70 -0.326 0.558 11.295 535 2HB GLU 70 1HB GLU 70 0.552 -0.955 11.395 536 1HG GLU 70 2HG GLU 70 -0.986 -0.927 13.221 537 2HG GLU 70 1HG GLU 70 0.606 -0.642 13.894 538 H GLY 71 H GLY 71 3.457 0.464 10.127 539 1HA GLY 71 2HA GLY 71 5.566 -0.563 10.136 540 2HA GLY 71 1HA GLY 71 5.277 -1.144 11.764 541 H LYS 72 H LYS 72 2.701 -1.638 9.621 542 HA LYS 72 HA LYS 72 3.590 -4.421 9.135 543 1HB LYS 72 2HB LYS 72 2.014 -4.892 10.687 544 2HB LYS 72 1HB LYS 72 1.095 -3.438 10.356 545 1HG LYS 72 2HG LYS 72 0.119 -4.390 8.407 546 2HG LYS 72 1HG LYS 72 1.234 -5.741 8.428 547 1HD LYS 72 2HD LYS 72 0.209 -6.287 10.727 548 2HD LYS 72 1HD LYS 72 -1.085 -5.205 10.251 549 1HE LYS 72 2HE LYS 72 -0.627 -6.925 8.064 550 2HE LYS 72 1HE LYS 72 -0.664 -7.934 9.495 551 1HZ LYS 72 1HZ LYS 72 -2.753 -6.942 10.082 552 2HZ LYS 72 2HZ LYS 72 -2.718 -5.988 8.729 553 3HZ LYS 72 3HZ LYS 72 -2.844 -7.632 8.579 554 H TYR 73 H TYR 73 2.715 -5.466 7.283 555 HA TYR 73 HA TYR 73 2.079 -3.500 5.127 556 1HB TYR 73 2HB TYR 73 3.554 -6.122 5.209 557 2HB TYR 73 1HB TYR 73 3.084 -5.350 3.707 558 HD1 TYR 73 HD1 TYR 73 4.956 -4.621 6.853 559 HD2 TYR 73 HD2 TYR 73 4.581 -3.923 2.659 560 HE1 TYR 73 HE1 TYR 73 7.087 -3.246 6.884 561 HE2 TYR 73 HE2 TYR 73 6.713 -2.550 2.705 562 HH TYR 73 HH TYR 73 8.311 -1.789 3.931 563 H GLY 74 H GLY 74 0.743 -4.269 3.385 564 1HA GLY 74 2HA GLY 74 -0.863 -6.668 3.837 565 2HA GLY 74 1HA GLY 74 -1.735 -5.157 3.992 566 H TYR 75 H TYR 75 -2.302 -7.150 2.090 567 HA TYR 75 HA TYR 75 -1.322 -5.987 -0.466 568 1HB TYR 75 2HB TYR 75 -2.381 -8.592 0.502 569 2HB TYR 75 1HB TYR 75 -2.667 -8.169 -1.174 570 HD1 TYR 75 HD1 TYR 75 -0.819 -10.331 0.411 571 HD2 TYR 75 HD2 TYR 75 -0.155 -6.783 -1.866 572 HE1 TYR 75 HE1 TYR 75 1.505 -11.146 -0.196 573 HE2 TYR 75 HE2 TYR 75 2.167 -7.610 -2.465 574 HH TYR 75 HH TYR 75 3.602 -9.200 -2.234 575 H VAL 76 H VAL 76 -2.760 -5.432 -2.110 576 HA VAL 76 HA VAL 76 -5.607 -5.257 -1.344 577 HB VAL 76 HB VAL 76 -4.483 -3.122 -0.845 578 1HG1 VAL 76 1HG1 VAL 76 -2.775 -3.142 -2.586 579 2HG1 VAL 76 2HG1 VAL 76 -4.054 -3.011 -3.842 580 3HG1 VAL 76 3HG1 VAL 76 -3.778 -1.654 -2.695 581 1HG2 VAL 76 1HG2 VAL 76 -6.546 -3.027 -3.062 582 2HG2 VAL 76 2HG2 VAL 76 -6.877 -3.169 -1.300 583 3HG2 VAL 76 3HG2 VAL 76 -6.134 -1.670 -1.957 584 H LEU 77 H LEU 77 -6.893 -6.057 -2.804 585 HA LEU 77 HA LEU 77 -5.792 -6.931 -5.324 586 1HB LEU 77 2HB LEU 77 -7.732 -7.872 -3.750 587 2HB LEU 77 1HB LEU 77 -8.689 -7.020 -4.945 588 HG LEU 77 HG LEU 77 -6.947 -9.393 -5.269 589 1HD1 LEU 77 1HD1 LEU 77 -9.301 -9.786 -4.816 590 2HD1 LEU 77 2HD1 LEU 77 -9.750 -8.738 -6.206 591 3HD1 LEU 77 3HD1 LEU 77 -8.889 -10.290 -6.492 592 1HD2 LEU 77 1HD2 LEU 77 -7.781 -7.545 -7.518 593 2HD2 LEU 77 2HD2 LEU 77 -6.104 -7.849 -6.946 594 3HD2 LEU 77 3HD2 LEU 77 -7.043 -9.172 -7.722 595 H ARG 78 H ARG 78 -6.197 -6.243 -7.363 596 HA ARG 78 HA ARG 78 -6.459 -3.472 -7.746 597 1HB ARG 78 2HB ARG 78 -6.494 -3.900 -10.063 598 2HB ARG 78 1HB ARG 78 -5.522 -5.183 -9.371 599 1HG ARG 78 2HG ARG 78 -6.871 -6.536 -10.580 600 2HG ARG 78 1HG ARG 78 -7.992 -6.297 -9.255 601 1HD ARG 78 2HD ARG 78 -8.316 -4.089 -10.977 602 2HD ARG 78 1HD ARG 78 -8.267 -5.511 -11.999 603 HE ARG 78 HE ARG 78 -9.960 -6.152 -9.852 604 1HH1 ARG 78 2HH1 ARG 78 -9.907 -3.796 -12.518 605 2HH1 ARG 78 HH22 ARG 78 -11.651 -3.686 -12.615 606 1HH2 ARG 78 1HH1 ARG 78 -12.197 -6.000 -9.987 607 2HH2 ARG 78 2HH1 ARG 78 -12.957 -4.951 -11.162 608 H SER 79 H SER 79 -8.816 -5.933 -7.325 609 HA SER 79 HA SER 79 -11.046 -4.905 -8.617 610 1HB SER 79 2HB SER 79 -10.744 -7.011 -7.095 611 2HB SER 79 1HB SER 79 -11.370 -5.945 -5.854 612 HG SER 79 HG SER 79 -13.035 -7.130 -6.912 613 H TYR 80 H TYR 80 -10.121 -4.272 -5.245 614 HA TYR 80 HA TYR 80 -11.610 -1.688 -5.417 615 1HB TYR 80 2HB TYR 80 -11.625 -2.062 -2.869 616 2HB TYR 80 1HB TYR 80 -12.681 -3.061 -3.847 617 HD1 TYR 80 HD1 TYR 80 -12.452 -5.423 -3.893 618 HD2 TYR 80 HD2 TYR 80 -9.479 -3.018 -1.996 619 HE1 TYR 80 HE1 TYR 80 -11.401 -7.502 -2.890 620 HE2 TYR 80 HE2 TYR 80 -8.436 -5.106 -1.001 621 HH TYR 80 HH TYR 80 -8.554 -7.251 -0.845 622 H LEU 81 H LEU 81 -9.623 -0.769 -6.317 623 HA LEU 81 HA LEU 81 -8.052 0.424 -4.243 624 1HB LEU 81 2HB LEU 81 -6.656 -1.327 -4.065 625 2HB LEU 81 1HB LEU 81 -6.936 -1.861 -5.710 626 HG LEU 81 HG LEU 81 -4.628 -1.023 -5.073 627 1HD1 LEU 81 1HD1 LEU 81 -5.269 -1.520 -7.363 628 2HD1 LEU 81 2HD1 LEU 81 -6.028 0.103 -7.508 629 3HD1 LEU 81 3HD1 LEU 81 -4.248 -0.041 -7.300 630 1HD2 LEU 81 1HD2 LEU 81 -6.032 1.643 -5.354 631 2HD2 LEU 81 2HD2 LEU 81 -5.275 0.982 -3.863 632 3HD2 LEU 81 3HD2 LEU 81 -4.252 1.403 -5.280 633 H ALA 82 H ALA 82 -7.122 2.286 -4.859 634 HA ALA 82 HA ALA 82 -8.114 3.555 -7.153 635 1HB ALA 82 1HB ALA 82 -7.290 4.773 -5.193 636 2HB ALA 82 2HB ALA 82 -5.621 4.204 -5.546 637 3HB ALA 82 3HB ALA 82 -6.449 5.322 -6.685 638 H ASP 83 H ASP 83 -6.648 4.589 -8.846 639 HA ASP 83 HA ASP 83 -5.720 2.580 -10.578 640 1HB ASP 83 2HB ASP 83 -5.494 5.510 -10.439 641 2HB ASP 83 1HB ASP 83 -4.277 4.697 -11.401
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