NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2420 | 1bwe | 4229 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -7.276 1.841 7.699 2 2H ALA 1 2H ALA 1 -7.446 3.274 8.168 3 3H ALA 1 3H ALA 1 -8.374 2.707 7.109 4 HA ALA 1 HA ALA 1 -6.875 3.241 5.319 5 1HB ALA 1 1HB ALA 1 -5.153 4.154 7.664 6 2HB ALA 1 2HB ALA 1 -4.720 4.371 5.959 7 3HB ALA 1 3HB ALA 1 -6.177 5.156 6.610 8 H TYR 2 H TYR 2 -5.627 1.783 4.087 9 HA TYR 2 HA TYR 2 -4.157 -0.299 5.652 10 1HB TYR 2 1HB TYR 2 -5.006 -0.512 2.759 11 2HB TYR 2 2HB TYR 2 -4.471 -1.795 3.878 12 HD1 TYR 2 HD1 TYR 2 -6.247 -1.490 6.165 13 HD2 TYR 2 HD2 TYR 2 -6.993 -1.508 1.940 14 HE1 TYR 2 HE1 TYR 2 -8.652 -2.003 6.593 15 HE2 TYR 2 HE2 TYR 2 -9.340 -2.183 2.363 16 HH TYR 2 HH TYR 2 -10.841 -1.392 5.174 17 H VAL 3 H VAL 3 -2.166 -1.004 4.891 18 HA VAL 3 HA VAL 3 -0.785 0.775 2.943 19 HB VAL 3 HB VAL 3 0.289 0.086 5.713 20 1HG1 VAL 3 1HG1 VAL 3 1.344 1.769 3.392 21 2HG1 VAL 3 2HG1 VAL 3 2.002 1.851 5.032 22 3HG1 VAL 3 3HG1 VAL 3 2.130 0.354 4.127 23 1HG2 VAL 3 1HG2 VAL 3 -0.780 2.689 4.557 24 2HG2 VAL 3 2HG2 VAL 3 -1.486 1.779 5.918 25 3HG2 VAL 3 3HG2 VAL 3 0.081 2.562 6.106 26 H ILE 4 H ILE 4 0.890 -0.115 1.831 27 HA ILE 4 HA ILE 4 1.005 -2.893 1.327 28 HB ILE 4 HB ILE 4 2.926 -2.227 -0.045 29 1HG1 ILE 4 1HG1 ILE 4 3.402 0.267 -0.273 30 2HG1 ILE 4 2HG1 ILE 4 2.723 0.502 1.321 31 1HG2 ILE 4 1HG2 ILE 4 0.568 -1.831 -0.800 32 2HG2 ILE 4 2HG2 ILE 4 0.785 -0.118 -0.383 33 3HG2 ILE 4 3HG2 ILE 4 1.805 -0.890 -1.614 34 1HD1 ILE 4 1HD1 ILE 4 4.957 -1.520 0.878 35 2HD1 ILE 4 2HD1 ILE 4 5.307 0.208 0.999 36 3HD1 ILE 4 3HD1 ILE 4 4.553 -0.620 2.357 37 H THR 5 H THR 5 3.093 -4.174 1.470 38 HA THR 5 HA THR 5 5.054 -3.370 3.428 39 HB THR 5 HB THR 5 4.847 -5.617 4.637 40 HG1 THR 5 HG1 THR 5 2.197 -5.542 3.580 41 1HG2 THR 5 1HG2 THR 5 4.089 -3.343 5.560 42 2HG2 THR 5 2HG2 THR 5 2.436 -3.840 5.118 43 3HG2 THR 5 3HG2 THR 5 3.361 -4.818 6.265 44 H GLU 6 H GLU 6 6.794 -4.957 3.470 45 HA GLU 6 HA GLU 6 8.328 -5.717 1.657 46 1HB GLU 6 1HB GLU 6 8.090 -6.554 4.069 47 2HB GLU 6 2HB GLU 6 7.521 -8.037 3.323 48 1HG GLU 6 1HG GLU 6 9.609 -8.556 3.108 49 2HG GLU 6 2HG GLU 6 9.821 -7.337 1.879 50 HA PRO 7 HA PRO 7 6.481 -9.537 -0.370 51 1HB PRO 7 1HB PRO 7 3.526 -9.427 0.141 52 2HB PRO 7 2HB PRO 7 4.600 -10.852 0.059 53 1HG PRO 7 1HG PRO 7 3.775 -9.956 2.481 54 2HG PRO 7 2HG PRO 7 5.511 -10.349 2.257 55 1HD PRO 7 1HD PRO 7 4.183 -7.649 1.946 56 2HD PRO 7 2HD PRO 7 5.489 -8.051 3.058 57 H CYS 8 H CYS 8 4.731 -6.483 -0.419 58 HA CYS 8 HA CYS 8 3.661 -6.611 -3.052 59 1HB CYS 8 1HB CYS 8 2.863 -4.913 -1.583 60 2HB CYS 8 2HB CYS 8 4.514 -4.437 -1.175 61 H ILE 9 H ILE 9 6.969 -6.093 -1.849 62 HA ILE 9 HA ILE 9 7.791 -4.540 -4.117 63 HB ILE 9 HB ILE 9 9.386 -5.901 -1.935 64 1HG1 ILE 9 1HG1 ILE 9 9.824 -3.190 -1.819 65 2HG1 ILE 9 2HG1 ILE 9 8.210 -3.185 -2.504 66 1HG2 ILE 9 1HG2 ILE 9 10.366 -4.150 -4.240 67 2HG2 ILE 9 2HG2 ILE 9 11.313 -4.561 -2.795 68 3HG2 ILE 9 3HG2 ILE 9 10.857 -5.828 -3.917 69 1HD1 ILE 9 1HD1 ILE 9 9.023 -4.718 -0.044 70 2HD1 ILE 9 2HD1 ILE 9 8.399 -3.073 0.031 71 3HD1 ILE 9 3HD1 ILE 9 7.348 -4.368 -0.591 72 H GLY 10 H GLY 10 7.053 -5.605 -5.874 73 1HA GLY 10 1HA GLY 10 8.804 -7.821 -6.907 74 2HA GLY 10 2HA GLY 10 7.064 -7.697 -7.220 75 H THR 11 H THR 11 9.880 -5.514 -7.284 76 HA THR 11 HA THR 11 10.511 -3.866 -8.730 77 HB THR 11 HB THR 11 11.807 -5.704 -9.381 78 HG1 THR 11 HG1 THR 11 10.708 -4.479 -11.674 79 1HG2 THR 11 1HG2 THR 11 9.563 -6.633 -11.227 80 2HG2 THR 11 2HG2 THR 11 11.222 -7.255 -11.211 81 3HG2 THR 11 3HG2 THR 11 10.187 -7.483 -9.797 82 H LYS 12 H LYS 12 8.479 -2.651 -8.568 83 HA LYS 12 HA LYS 12 7.102 -1.203 -9.537 84 1HB LYS 12 1HB LYS 12 8.334 -1.963 -12.216 85 2HB LYS 12 2HB LYS 12 7.384 -0.539 -11.811 86 1HG LYS 12 1HG LYS 12 9.185 -0.025 -10.027 87 2HG LYS 12 2HG LYS 12 10.142 -1.297 -10.766 88 1HD LYS 12 1HD LYS 12 10.921 0.743 -11.728 89 2HD LYS 12 2HD LYS 12 9.999 -0.111 -12.972 90 1HE LYS 12 1HE LYS 12 9.411 2.219 -13.111 91 2HE LYS 12 2HE LYS 12 8.006 1.421 -12.414 92 1HZ LYS 12 1HZ LYS 12 9.000 2.131 -10.200 93 2HZ LYS 12 2HZ LYS 12 10.026 3.058 -11.052 94 3HZ LYS 12 3HZ LYS 12 8.397 3.317 -11.154 95 H CYS 13 H CYS 13 5.833 -3.426 -8.834 96 HA CYS 13 HA CYS 13 3.975 -4.408 -10.822 97 1HB CYS 13 1HB CYS 13 4.201 -5.593 -8.789 98 2HB CYS 13 2HB CYS 13 3.967 -4.120 -7.860 99 H ALA 14 H ALA 14 1.758 -3.573 -11.135 100 HA ALA 14 HA ALA 14 1.153 -0.860 -10.107 101 1HB ALA 14 1HB ALA 14 2.572 -0.494 -12.138 102 2HB ALA 14 2HB ALA 14 1.392 -1.423 -13.090 103 3HB ALA 14 3HB ALA 14 0.918 0.112 -12.331 104 H SER 15 H SER 15 -0.161 -3.397 -9.611 105 HA SER 15 HA SER 15 -2.566 -3.356 -11.321 106 1HB SER 15 1HB SER 15 -2.045 -5.005 -8.828 107 2HB SER 15 2HB SER 15 -3.368 -5.180 -9.988 108 HG SER 15 HG SER 15 -0.593 -5.553 -10.483 109 H CYS 16 H CYS 16 -1.690 -2.252 -8.075 110 HA CYS 16 HA CYS 16 -4.363 -1.739 -7.177 111 1HB CYS 16 1HB CYS 16 -3.108 -0.548 -5.303 112 2HB CYS 16 2HB CYS 16 -2.867 -2.277 -5.534 113 H VAL 17 H VAL 17 -2.447 0.037 -9.363 114 HA VAL 17 HA VAL 17 -3.351 2.722 -8.758 115 HB VAL 17 HB VAL 17 -1.273 1.961 -10.041 116 1HG1 VAL 17 1HG1 VAL 17 -2.618 0.454 -11.597 117 2HG1 VAL 17 2HG1 VAL 17 -3.140 1.923 -12.435 118 3HG1 VAL 17 3HG1 VAL 17 -1.415 1.514 -12.359 119 1HG2 VAL 17 1HG2 VAL 17 -3.051 4.244 -10.941 120 2HG2 VAL 17 2HG2 VAL 17 -1.577 4.266 -9.970 121 3HG2 VAL 17 3HG2 VAL 17 -1.494 3.923 -11.708 122 H GLU 18 H GLU 18 -4.896 4.073 -9.866 123 HA GLU 18 HA GLU 18 -6.530 4.668 -11.097 124 1HB GLU 18 1HB GLU 18 -5.325 3.189 -12.842 125 2HB GLU 18 2HB GLU 18 -6.612 2.017 -12.517 126 1HG GLU 18 1HG GLU 18 -8.242 3.923 -12.997 127 2HG GLU 18 2HG GLU 18 -6.863 4.878 -13.551 128 H VAL 19 H VAL 19 -6.916 1.430 -9.741 129 HA VAL 19 HA VAL 19 -9.809 1.470 -9.887 130 HB VAL 19 HB VAL 19 -8.442 -0.593 -9.966 131 1HG1 VAL 19 1HG1 VAL 19 -7.882 -0.024 -7.019 132 2HG1 VAL 19 2HG1 VAL 19 -7.693 -1.601 -7.780 133 3HG1 VAL 19 3HG1 VAL 19 -6.718 -0.246 -8.346 134 1HG2 VAL 19 1HG2 VAL 19 -10.836 -0.660 -9.443 135 2HG2 VAL 19 2HG2 VAL 19 -9.946 -1.963 -8.642 136 3HG2 VAL 19 3HG2 VAL 19 -10.475 -0.551 -7.707 137 H CYS 20 H CYS 20 -7.402 2.577 -7.591 138 HA CYS 20 HA CYS 20 -8.975 2.551 -5.285 139 1HB CYS 20 1HB CYS 20 -6.595 2.725 -5.156 140 2HB CYS 20 2HB CYS 20 -6.711 4.145 -6.176 141 HA PRO 21 HA PRO 21 -12.080 5.697 -6.183 142 1HB PRO 21 1HB PRO 21 -11.548 6.200 -3.234 143 2HB PRO 21 2HB PRO 21 -13.121 6.196 -4.086 144 1HG PRO 21 1HG PRO 21 -12.320 3.981 -2.735 145 2HG PRO 21 2HG PRO 21 -13.015 3.811 -4.375 146 1HD PRO 21 1HD PRO 21 -10.078 3.731 -3.605 147 2HD PRO 21 2HD PRO 21 -11.006 2.746 -4.782 148 H VAL 22 H VAL 22 -9.110 6.617 -4.412 149 HA VAL 22 HA VAL 22 -9.297 9.374 -5.558 150 HB VAL 22 HB VAL 22 -8.347 10.203 -3.424 151 1HG1 VAL 22 1HG1 VAL 22 -10.878 10.111 -4.017 152 2HG1 VAL 22 2HG1 VAL 22 -10.970 8.846 -2.777 153 3HG1 VAL 22 3HG1 VAL 22 -10.391 10.469 -2.353 154 1HG2 VAL 22 1HG2 VAL 22 -7.421 8.029 -2.570 155 2HG2 VAL 22 2HG2 VAL 22 -8.457 8.851 -1.389 156 3HG2 VAL 22 3HG2 VAL 22 -9.074 7.455 -2.282 157 H ASP 23 H ASP 23 -7.838 6.820 -6.331 158 HA ASP 23 HA ASP 23 -5.745 6.051 -6.711 159 1HB ASP 23 1HB ASP 23 -6.644 7.444 -8.613 160 2HB ASP 23 2HB ASP 23 -5.502 8.705 -8.121 161 H CYS 24 H CYS 24 -5.392 6.595 -4.200 162 HA CYS 24 HA CYS 24 -3.116 8.463 -3.778 163 1HB CYS 24 1HB CYS 24 -3.487 8.219 -1.496 164 2HB CYS 24 2HB CYS 24 -5.023 8.612 -2.303 165 HG CYS 24 HG CYS 24 -3.882 5.707 -1.200 166 H ILE 25 H ILE 25 -2.463 6.331 -5.402 167 HA ILE 25 HA ILE 25 -0.631 4.729 -3.711 168 HB ILE 25 HB ILE 25 -0.579 3.115 -5.595 169 1HG1 ILE 25 1HG1 ILE 25 -1.991 4.524 -7.226 170 2HG1 ILE 25 2HG1 ILE 25 -2.196 2.775 -7.067 171 1HG2 ILE 25 1HG2 ILE 25 -2.971 3.215 -3.776 172 2HG2 ILE 25 2HG2 ILE 25 -2.544 1.788 -4.751 173 3HG2 ILE 25 3HG2 ILE 25 -1.385 2.419 -3.586 174 1HD1 ILE 25 1HD1 ILE 25 -4.047 4.780 -5.704 175 2HD1 ILE 25 2HD1 ILE 25 -4.380 4.014 -7.253 176 3HD1 ILE 25 3HD1 ILE 25 -4.257 3.030 -5.801 177 H HIS 26 H HIS 26 1.461 5.159 -4.144 178 HA HIS 26 HA HIS 26 2.097 6.970 -6.456 179 1HB HIS 26 1HB HIS 26 2.951 6.818 -3.524 180 2HB HIS 26 2HB HIS 26 3.572 7.982 -4.711 181 HD1 HIS 26 HD1 HIS 26 1.263 9.411 -5.928 182 HD2 HIS 26 HD2 HIS 26 0.792 7.515 -2.206 183 HE1 HIS 26 HE1 HIS 26 -0.903 10.300 -4.925 184 H GLU 27 H GLU 27 4.068 6.786 -7.486 185 HA GLU 27 HA GLU 27 5.690 4.414 -6.791 186 1HB GLU 27 1HB GLU 27 5.947 6.406 -9.033 187 2HB GLU 27 2HB GLU 27 7.143 5.155 -8.669 188 1HG GLU 27 1HG GLU 27 5.498 3.386 -8.850 189 2HG GLU 27 2HG GLU 27 4.242 4.577 -9.222 190 H GLY 28 H GLY 28 7.258 4.468 -5.485 191 1HA GLY 28 1HA GLY 28 8.707 6.975 -4.693 192 2HA GLY 28 2HA GLY 28 8.937 5.352 -3.995 193 H GLU 29 H GLU 29 9.167 3.679 -5.882 194 HA GLU 29 HA GLU 29 10.167 4.289 -8.381 195 1HB GLU 29 1HB GLU 29 12.304 4.748 -6.776 196 2HB GLU 29 2HB GLU 29 12.449 2.995 -6.870 197 1HG GLU 29 1HG GLU 29 12.584 5.049 -9.090 198 2HG GLU 29 2HG GLU 29 13.807 3.868 -8.604 199 H ASP 30 H ASP 30 10.707 1.955 -5.704 200 HA ASP 30 HA ASP 30 10.829 -0.351 -7.304 201 1HB ASP 30 1HB ASP 30 10.879 -1.482 -5.122 202 2HB ASP 30 2HB ASP 30 11.929 -0.059 -5.124 203 H GLN 31 H GLN 31 7.991 1.237 -5.846 204 HA GLN 31 HA GLN 31 6.199 -0.912 -6.737 205 1HB GLN 31 1HB GLN 31 5.500 -1.440 -4.424 206 2HB GLN 31 2HB GLN 31 7.242 -1.594 -4.481 207 1HG GLN 31 1HG GLN 31 7.458 0.676 -3.520 208 2HG GLN 31 2HG GLN 31 5.701 0.878 -3.485 209 1HE2 GLN 31 2HE2 GLN 31 8.387 -0.870 -2.067 210 2HE2 GLN 31 1HE2 GLN 31 7.428 -1.517 -0.720 211 H TYR 32 H TYR 32 3.931 -0.308 -5.836 212 HA TYR 32 HA TYR 32 3.491 2.626 -5.933 213 1HB TYR 32 1HB TYR 32 1.802 0.245 -6.575 214 2HB TYR 32 2HB TYR 32 1.036 1.697 -5.973 215 HD1 TYR 32 HD1 TYR 32 3.609 0.687 -8.529 216 HD2 TYR 32 HD2 TYR 32 0.526 3.490 -7.463 217 HE1 TYR 32 HE1 TYR 32 3.726 1.683 -10.794 218 HE2 TYR 32 HE2 TYR 32 0.743 4.562 -9.668 219 HH TYR 32 HH TYR 32 3.267 3.942 -11.782 220 H TYR 33 H TYR 33 3.410 3.566 -4.093 221 HA TYR 33 HA TYR 33 3.186 2.305 -1.450 222 1HB TYR 33 1HB TYR 33 4.096 4.952 -2.638 223 2HB TYR 33 2HB TYR 33 3.817 4.837 -0.956 224 HD1 TYR 33 HD1 TYR 33 5.121 2.885 0.305 225 HD2 TYR 33 HD2 TYR 33 6.094 4.203 -3.661 226 HE1 TYR 33 HE1 TYR 33 7.330 1.791 0.490 227 HE2 TYR 33 HE2 TYR 33 8.329 3.157 -3.462 228 HH TYR 33 HH TYR 33 9.629 1.692 -2.212 229 H ILE 34 H ILE 34 1.160 2.430 -0.401 230 HA ILE 34 HA ILE 34 -0.860 4.198 -1.467 231 HB ILE 34 HB ILE 34 -0.818 2.148 0.773 232 1HG1 ILE 34 1HG1 ILE 34 -2.535 2.183 -1.744 233 2HG1 ILE 34 2HG1 ILE 34 -0.922 1.433 -1.698 234 1HG2 ILE 34 1HG2 ILE 34 -3.051 4.063 0.010 235 2HG2 ILE 34 2HG2 ILE 34 -3.345 2.566 0.912 236 3HG2 ILE 34 3HG2 ILE 34 -2.333 3.809 1.613 237 1HD1 ILE 34 1HD1 ILE 34 -1.706 0.006 0.185 238 2HD1 ILE 34 2HD1 ILE 34 -3.357 0.621 -0.103 239 3HD1 ILE 34 3HD1 ILE 34 -2.508 -0.266 -1.378 240 H ASP 35 H ASP 35 -1.340 6.282 -0.545 241 HA ASP 35 HA ASP 35 0.146 7.052 1.882 242 1HB ASP 35 1HB ASP 35 -0.541 8.776 0.107 243 2HB ASP 35 2HB ASP 35 -2.171 8.609 0.752 244 HA PRO 36 HA PRO 36 -3.308 4.983 4.153 245 1HB PRO 36 1HB PRO 36 -2.516 5.580 6.715 246 2HB PRO 36 2HB PRO 36 -1.862 4.228 5.782 247 1HG PRO 36 1HG PRO 36 -0.668 7.001 6.109 248 2HG PRO 36 2HG PRO 36 0.172 5.429 6.273 249 1HD PRO 36 1HD PRO 36 0.327 6.864 4.011 250 2HD PRO 36 2HD PRO 36 0.102 5.084 3.928 251 H ASP 37 H ASP 37 -2.052 8.315 4.454 252 HA ASP 37 HA ASP 37 -4.247 9.153 6.191 253 1HB ASP 37 1HB ASP 37 -2.082 10.786 4.856 254 2HB ASP 37 2HB ASP 37 -3.131 11.276 6.194 255 H VAL 38 H VAL 38 -3.579 8.980 2.732 256 HA VAL 38 HA VAL 38 -5.974 10.655 2.171 257 HB VAL 38 HB VAL 38 -4.040 9.420 0.180 258 1HG1 VAL 38 1HG1 VAL 38 -6.269 11.484 -0.099 259 2HG1 VAL 38 2HG1 VAL 38 -5.111 11.031 -1.366 260 3HG1 VAL 38 3HG1 VAL 38 -6.277 9.843 -0.771 261 1HG2 VAL 38 1HG2 VAL 38 -2.945 11.164 1.605 262 2HG2 VAL 38 2HG2 VAL 38 -3.189 11.715 -0.054 263 3HG2 VAL 38 3HG2 VAL 38 -4.275 12.275 1.236 264 H CYS 39 H CYS 39 -4.902 7.226 2.156 265 HA CYS 39 HA CYS 39 -7.058 6.156 0.726 266 1HB CYS 39 1HB CYS 39 -5.148 4.814 1.323 267 2HB CYS 39 2HB CYS 39 -5.485 5.060 3.037 268 H ILE 40 H ILE 40 -9.172 6.080 1.069 269 HA ILE 40 HA ILE 40 -10.291 6.902 3.664 270 HB ILE 40 HB ILE 40 -12.403 7.018 2.405 271 1HG1 ILE 40 1HG1 ILE 40 -10.831 6.316 -0.119 272 2HG1 ILE 40 2HG1 ILE 40 -11.775 5.124 0.781 273 1HG2 ILE 40 1HG2 ILE 40 -10.563 8.870 2.435 274 2HG2 ILE 40 2HG2 ILE 40 -10.341 8.463 0.725 275 3HG2 ILE 40 3HG2 ILE 40 -11.922 9.018 1.313 276 1HD1 ILE 40 1HD1 ILE 40 -13.799 6.588 0.514 277 2HD1 ILE 40 2HD1 ILE 40 -12.837 7.625 -0.569 278 3HD1 ILE 40 3HD1 ILE 40 -13.141 5.928 -0.995 279 H ASP 41 H ASP 41 -9.082 4.239 3.286 280 HA ASP 41 HA ASP 41 -9.353 2.050 3.675 281 1HB ASP 41 1HB ASP 41 -9.904 3.233 5.888 282 2HB ASP 41 2HB ASP 41 -11.578 2.752 5.599 283 H CYS 42 H CYS 42 -10.044 0.921 1.878 284 HA CYS 42 HA CYS 42 -12.913 0.399 1.586 285 1HB CYS 42 1HB CYS 42 -13.229 1.343 -0.424 286 2HB CYS 42 2HB CYS 42 -12.202 2.577 0.298 287 H GLY 43 H GLY 43 -13.353 -1.456 0.275 288 1HA GLY 43 1HA GLY 43 -11.153 -3.384 0.505 289 2HA GLY 43 2HA GLY 43 -12.849 -3.712 0.152 290 H ALA 44 H ALA 44 -10.370 -1.716 -1.552 291 HA ALA 44 HA ALA 44 -11.007 -3.266 -4.067 292 1HB ALA 44 1HB ALA 44 -10.102 -0.385 -3.790 293 2HB ALA 44 2HB ALA 44 -10.358 -1.272 -5.305 294 3HB ALA 44 3HB ALA 44 -11.720 -0.966 -4.211 295 H CYS 45 H CYS 45 -8.253 -1.171 -3.209 296 HA CYS 45 HA CYS 45 -6.440 -2.362 -4.824 297 1HB CYS 45 1HB CYS 45 -4.715 -1.254 -3.533 298 2HB CYS 45 2HB CYS 45 -6.099 -0.249 -3.851 299 H GLU 46 H GLU 46 -6.820 -3.292 -1.347 300 HA GLU 46 HA GLU 46 -4.896 -5.346 -1.381 301 1HB GLU 46 1HB GLU 46 -5.897 -4.578 0.724 302 2HB GLU 46 2HB GLU 46 -7.486 -5.104 0.192 303 1HG GLU 46 1HG GLU 46 -6.585 -6.584 1.875 304 2HG GLU 46 2HG GLU 46 -6.872 -7.447 0.372 305 H ALA 47 H ALA 47 -8.347 -5.528 -2.341 306 HA ALA 47 HA ALA 47 -8.332 -8.393 -2.753 307 1HB ALA 47 1HB ALA 47 -10.420 -7.117 -2.400 308 2HB ALA 47 2HB ALA 47 -10.169 -6.268 -3.942 309 3HB ALA 47 3HB ALA 47 -10.442 -8.020 -3.927 310 H VAL 48 H VAL 48 -7.474 -5.553 -4.698 311 HA VAL 48 HA VAL 48 -7.187 -7.061 -7.177 312 HB VAL 48 HB VAL 48 -6.603 -4.247 -6.265 313 1HG1 VAL 48 1HG1 VAL 48 -5.810 -5.446 -8.942 314 2HG1 VAL 48 2HG1 VAL 48 -5.959 -3.710 -8.593 315 3HG1 VAL 48 3HG1 VAL 48 -4.744 -4.669 -7.740 316 1HG2 VAL 48 1HG2 VAL 48 -8.927 -4.889 -6.822 317 2HG2 VAL 48 2HG2 VAL 48 -8.287 -3.764 -8.029 318 3HG2 VAL 48 3HG2 VAL 48 -8.390 -5.487 -8.407 319 H CYS 49 H CYS 49 -4.957 -6.072 -4.541 320 HA CYS 49 HA CYS 49 -2.591 -6.686 -5.946 321 1HB CYS 49 1HB CYS 49 -2.770 -5.345 -3.896 322 2HB CYS 49 2HB CYS 49 -2.988 -6.844 -2.953 323 HA PRO 50 HA PRO 50 -3.651 -11.056 -6.005 324 1HB PRO 50 1HB PRO 50 -1.759 -12.027 -7.707 325 2HB PRO 50 2HB PRO 50 -3.013 -10.876 -8.239 326 1HG PRO 50 1HG PRO 50 -0.181 -10.218 -7.361 327 2HG PRO 50 2HG PRO 50 -0.987 -9.735 -8.886 328 1HD PRO 50 1HD PRO 50 -0.914 -8.099 -6.704 329 2HD PRO 50 2HD PRO 50 -2.352 -8.164 -7.767 330 H VAL 51 H VAL 51 -1.745 -9.899 -3.874 331 HA VAL 51 HA VAL 51 -0.283 -12.383 -3.154 332 HB VAL 51 HB VAL 51 1.577 -11.230 -2.613 333 1HG1 VAL 51 1HG1 VAL 51 1.154 -10.681 -5.026 334 2HG1 VAL 51 2HG1 VAL 51 0.445 -9.126 -4.507 335 3HG1 VAL 51 3HG1 VAL 51 2.151 -9.480 -4.188 336 1HG2 VAL 51 1HG2 VAL 51 -0.097 -8.769 -1.993 337 2HG2 VAL 51 2HG2 VAL 51 0.719 -9.881 -0.866 338 3HG2 VAL 51 3HG2 VAL 51 1.680 -8.834 -1.917 339 H SER 52 H SER 52 -2.470 -9.752 -2.225 340 HA SER 52 HA SER 52 -3.609 -9.255 -0.432 341 1HB SER 52 1HB SER 52 -4.367 -11.620 -0.590 342 2HB SER 52 2HB SER 52 -3.141 -12.077 0.608 343 HG SER 52 HG SER 52 -4.724 -9.948 1.388 344 H ALA 53 H ALA 53 -2.097 -7.714 0.225 345 HA ALA 53 HA ALA 53 -0.438 -8.321 2.605 346 1HB ALA 53 1HB ALA 53 0.853 -7.342 0.042 347 2HB ALA 53 2HB ALA 53 1.612 -7.290 1.644 348 3HB ALA 53 3HB ALA 53 1.198 -8.849 0.947 349 H ILE 54 H ILE 54 -2.419 -6.141 0.833 350 HA ILE 54 HA ILE 54 -1.312 -3.744 2.106 351 HB ILE 54 HB ILE 54 -3.798 -4.208 0.427 352 1HG1 ILE 54 1HG1 ILE 54 -1.157 -2.955 -0.305 353 2HG1 ILE 54 2HG1 ILE 54 -1.604 -4.592 -0.783 354 1HG2 ILE 54 1HG2 ILE 54 -2.424 -1.710 1.517 355 2HG2 ILE 54 2HG2 ILE 54 -3.749 -1.665 0.333 356 3HG2 ILE 54 3HG2 ILE 54 -4.042 -2.338 1.901 357 1HD1 ILE 54 1HD1 ILE 54 -3.582 -2.484 -1.566 358 2HD1 ILE 54 2HD1 ILE 54 -2.028 -2.496 -2.402 359 3HD1 ILE 54 3HD1 ILE 54 -3.063 -3.935 -2.370 360 H TYR 55 H TYR 55 -1.501 -4.029 4.334 361 HA TYR 55 HA TYR 55 -4.098 -5.045 5.468 362 1HB TYR 55 1HB TYR 55 -1.257 -5.038 6.489 363 2HB TYR 55 2HB TYR 55 -2.611 -5.560 7.457 364 HD1 TYR 55 HD1 TYR 55 -3.788 -7.107 4.725 365 HD2 TYR 55 HD2 TYR 55 -0.090 -7.106 6.967 366 HE1 TYR 55 HE1 TYR 55 -3.224 -9.302 3.797 367 HE2 TYR 55 HE2 TYR 55 0.440 -9.348 6.059 368 HH TYR 55 HH TYR 55 -1.355 -10.763 3.424 369 H HIS 56 H HIS 56 -4.577 -4.102 7.637 370 HA HIS 56 HA HIS 56 -4.425 -1.225 7.482 371 1HB HIS 56 1HB HIS 56 -6.116 -2.884 8.813 372 2HB HIS 56 2HB HIS 56 -4.962 -2.635 10.086 373 HD1 HIS 56 HD1 HIS 56 -5.271 -0.467 11.459 374 HD2 HIS 56 HD2 HIS 56 -7.302 -0.448 7.801 375 HE1 HIS 56 HE1 HIS 56 -6.464 1.806 11.289 376 H GLU 57 H GLU 57 -3.202 0.287 8.658 377 HA GLU 57 HA GLU 57 -0.610 -0.443 8.897 378 1HB GLU 57 1HB GLU 57 -1.215 1.663 10.820 379 2HB GLU 57 2HB GLU 57 -0.449 1.824 9.225 380 1HG GLU 57 1HG GLU 57 -2.547 2.205 8.199 381 2HG GLU 57 2HG GLU 57 -3.378 2.018 9.782 382 H ASP 58 H ASP 58 -3.038 -0.612 11.465 383 HA ASP 58 HA ASP 58 -1.062 -1.153 13.459 384 1HB ASP 58 1HB ASP 58 -2.829 -1.398 14.920 385 2HB ASP 58 2HB ASP 58 -3.335 -0.102 13.846 386 H PHE 59 H PHE 59 -2.616 -3.056 10.959 387 HA PHE 59 HA PHE 59 -2.454 -5.616 12.411 388 1HB PHE 59 1HB PHE 59 -3.103 -4.782 9.552 389 2HB PHE 59 2HB PHE 59 -2.831 -6.430 10.028 390 HD1 PHE 59 HD1 PHE 59 -4.632 -4.441 12.536 391 HD2 PHE 59 HD2 PHE 59 -5.048 -6.847 8.970 392 HE1 PHE 59 HE1 PHE 59 -7.040 -4.575 12.916 393 HE2 PHE 59 HE2 PHE 59 -7.482 -7.019 9.388 394 HZ PHE 59 HZ PHE 59 -8.494 -5.879 11.356 395 H VAL 60 H VAL 60 -0.682 -3.712 9.984 396 HA VAL 60 HA VAL 60 1.183 -5.622 9.178 397 HB VAL 60 HB VAL 60 1.338 -2.598 9.413 398 1HG1 VAL 60 1HG1 VAL 60 3.421 -4.582 8.460 399 2HG1 VAL 60 2HG1 VAL 60 3.379 -2.905 7.887 400 3HG1 VAL 60 3HG1 VAL 60 3.619 -3.242 9.605 401 1HG2 VAL 60 1HG2 VAL 60 -0.240 -3.664 7.819 402 2HG2 VAL 60 2HG2 VAL 60 1.025 -2.817 6.953 403 3HG2 VAL 60 3HG2 VAL 60 1.099 -4.574 7.092 404 HA PRO 61 HA PRO 61 3.234 -6.479 13.104 405 1HB PRO 61 1HB PRO 61 5.467 -7.323 11.245 406 2HB PRO 61 2HB PRO 61 4.850 -8.165 12.691 407 1HG PRO 61 1HG PRO 61 4.102 -8.989 10.211 408 2HG PRO 61 2HG PRO 61 2.880 -8.870 11.514 409 1HD PRO 61 1HD PRO 61 3.412 -6.911 9.276 410 2HD PRO 61 2HD PRO 61 1.861 -7.519 9.936 411 H GLU 62 H GLU 62 4.801 -5.403 14.438 412 HA GLU 62 HA GLU 62 5.600 -2.889 14.129 413 1HB GLU 62 1HB GLU 62 6.478 -5.399 15.608 414 2HB GLU 62 2HB GLU 62 7.345 -3.915 15.808 415 1HG GLU 62 1HG GLU 62 5.602 -4.250 17.558 416 2HG GLU 62 2HG GLU 62 5.409 -2.739 16.661 417 H GLU 63 H GLU 63 7.600 -5.772 13.259 418 HA GLU 63 HA GLU 63 9.962 -4.539 12.457 419 1HB GLU 63 1HB GLU 63 8.546 -6.811 11.016 420 2HB GLU 63 2HB GLU 63 10.264 -6.416 10.968 421 1HG GLU 63 1HG GLU 63 10.349 -8.090 12.498 422 2HG GLU 63 2HG GLU 63 10.060 -6.769 13.634 423 H TRP 64 H TRP 64 6.900 -4.840 10.696 424 HA TRP 64 HA TRP 64 7.966 -3.374 8.339 425 1HB TRP 64 1HB TRP 64 5.592 -5.179 8.795 426 2HB TRP 64 2HB TRP 64 5.815 -4.235 7.322 427 HD1 TRP 64 HD1 TRP 64 9.170 -5.093 7.589 428 HE1 TRP 64 HE1 TRP 64 9.760 -7.201 6.277 429 HE3 TRP 64 HE3 TRP 64 4.486 -7.164 7.151 430 HZ2 TRP 64 HZ2 TRP 64 8.463 -9.554 5.349 431 HZ3 TRP 64 HZ3 TRP 64 4.201 -9.292 5.920 432 HH2 TRP 64 HH2 TRP 64 6.189 -10.434 4.916 433 H LYS 65 H LYS 65 6.201 -2.618 11.249 434 HA LYS 65 HA LYS 65 4.504 -0.631 10.196 435 1HB LYS 65 1HB LYS 65 5.879 -1.161 12.840 436 2HB LYS 65 2HB LYS 65 5.053 0.301 12.557 437 1HG LYS 65 1HG LYS 65 2.993 -1.036 11.824 438 2HG LYS 65 2HG LYS 65 3.848 -2.463 12.425 439 1HD LYS 65 1HD LYS 65 3.863 -1.514 14.719 440 2HD LYS 65 2HD LYS 65 3.280 0.027 14.093 441 1HE LYS 65 1HE LYS 65 1.418 -1.043 15.131 442 2HE LYS 65 2HE LYS 65 1.161 -1.038 13.380 443 1HZ LYS 65 1HZ LYS 65 1.943 -3.375 13.420 444 2HZ LYS 65 2HZ LYS 65 2.014 -3.297 15.068 445 3HZ LYS 65 3HZ LYS 65 0.561 -3.173 14.263 446 H SER 66 H SER 66 8.036 -0.800 10.465 447 HA SER 66 HA SER 66 8.801 1.810 10.097 448 1HB SER 66 1HB SER 66 9.907 -0.331 8.337 449 2HB SER 66 2HB SER 66 10.745 0.942 9.233 450 HG SER 66 HG SER 66 10.047 -1.598 10.068 451 H TYR 67 H TYR 67 7.269 -0.394 7.679 452 HA TYR 67 HA TYR 67 7.496 1.456 5.472 453 1HB TYR 67 1HB TYR 67 5.660 -0.915 5.956 454 2HB TYR 67 2HB TYR 67 5.554 0.124 4.559 455 HD1 TYR 67 HD1 TYR 67 7.534 0.357 2.992 456 HD2 TYR 67 HD2 TYR 67 7.308 -2.720 6.004 457 HE1 TYR 67 HE1 TYR 67 9.234 -0.972 1.769 458 HE2 TYR 67 HE2 TYR 67 9.016 -4.041 4.778 459 HH TYR 67 HH TYR 67 10.416 -4.140 2.910 460 H ILE 68 H ILE 68 5.091 1.079 8.167 461 HA ILE 68 HA ILE 68 3.035 2.599 6.812 462 HB ILE 68 HB ILE 68 3.612 1.663 9.648 463 1HG1 ILE 68 1HG1 ILE 68 1.704 0.339 9.422 464 2HG1 ILE 68 2HG1 ILE 68 1.175 1.167 7.948 465 1HG2 ILE 68 1HG2 ILE 68 1.414 3.548 8.827 466 2HG2 ILE 68 2HG2 ILE 68 1.501 2.645 10.365 467 3HG2 ILE 68 3HG2 ILE 68 2.739 3.843 9.986 468 1HD1 ILE 68 1HD1 ILE 68 3.621 -0.602 8.097 469 2HD1 ILE 68 2HD1 ILE 68 2.011 -1.048 7.511 470 3HD1 ILE 68 3HD1 ILE 68 2.934 0.158 6.637 471 H GLN 69 H GLN 69 5.670 3.276 9.137 472 HA GLN 69 HA GLN 69 5.209 6.067 9.214 473 1HB GLN 69 1HB GLN 69 6.788 4.720 10.705 474 2HB GLN 69 2HB GLN 69 7.952 4.743 9.372 475 1HG GLN 69 1HG GLN 69 8.462 6.559 10.922 476 2HG GLN 69 2HG GLN 69 7.895 7.254 9.401 477 1HE2 GLN 69 2HE2 GLN 69 6.611 6.142 12.604 478 2HE2 GLN 69 1HE2 GLN 69 5.441 7.443 12.740 479 H LYS 70 H LYS 70 7.219 4.118 6.932 480 HA LYS 70 HA LYS 70 8.164 6.371 5.521 481 1HB LYS 70 1HB LYS 70 9.057 3.963 5.319 482 2HB LYS 70 2HB LYS 70 7.578 3.579 4.482 483 1HG LYS 70 1HG LYS 70 9.167 3.732 2.834 484 2HG LYS 70 2HG LYS 70 8.157 5.141 2.657 485 1HD LYS 70 1HD LYS 70 10.937 5.060 3.928 486 2HD LYS 70 2HD LYS 70 10.611 5.467 2.249 487 1HE LYS 70 1HE LYS 70 9.972 7.142 4.703 488 2HE LYS 70 2HE LYS 70 11.048 7.500 3.376 489 1HZ LYS 70 1HZ LYS 70 9.121 7.698 1.909 490 2HZ LYS 70 2HZ LYS 70 8.102 7.407 3.178 491 3HZ LYS 70 3HZ LYS 70 9.063 8.717 3.211 492 H ASN 71 H ASN 71 5.372 4.347 4.909 493 HA ASN 71 HA ASN 71 4.395 5.680 2.589 494 1HB ASN 71 1HB ASN 71 3.176 3.910 4.648 495 2HB ASN 71 2HB ASN 71 2.157 4.710 3.478 496 1HD2 ASN 71 2HD2 ASN 71 4.867 2.425 3.796 497 2HD2 ASN 71 1HD2 ASN 71 4.647 1.691 2.212 498 H ARG 72 H ARG 72 3.830 6.393 6.088 499 HA ARG 72 HA ARG 72 1.923 8.455 5.818 500 1HB ARG 72 1HB ARG 72 2.722 7.230 7.839 501 2HB ARG 72 2HB ARG 72 4.186 8.163 7.830 502 1HG ARG 72 1HG ARG 72 3.266 9.923 8.817 503 2HG ARG 72 2HG ARG 72 1.916 9.972 7.666 504 1HD ARG 72 1HD ARG 72 2.112 8.022 9.957 505 2HD ARG 72 2HD ARG 72 1.184 9.533 9.993 506 HE ARG 72 HE ARG 72 0.109 8.593 7.804 507 1HH1 ARG 72 1HH1 ARG 72 1.092 6.340 10.361 508 2HH1 ARG 72 2HH1 ARG 72 -0.412 5.450 10.313 509 1HH2 ARG 72 1HH2 ARG 72 -2.036 7.772 8.238 510 2HH2 ARG 72 2HH2 ARG 72 -2.175 6.143 8.932 511 H ASP 73 H ASP 73 5.409 8.436 6.221 512 HA ASP 73 HA ASP 73 6.016 11.140 6.183 513 1HB ASP 73 1HB ASP 73 7.481 9.370 7.015 514 2HB ASP 73 2HB ASP 73 7.457 8.541 5.478 515 H PHE 74 H PHE 74 6.195 8.864 3.502 516 HA PHE 74 HA PHE 74 7.523 10.130 1.553 517 1HB PHE 74 1HB PHE 74 5.273 8.270 1.561 518 2HB PHE 74 2HB PHE 74 5.394 9.270 0.127 519 HD1 PHE 74 HD1 PHE 74 7.667 9.596 -1.003 520 HD2 PHE 74 HD2 PHE 74 6.373 6.159 1.234 521 HE1 PHE 74 HE1 PHE 74 9.115 8.137 -2.365 522 HE2 PHE 74 HE2 PHE 74 8.089 4.779 0.096 523 HZ PHE 74 HZ PHE 74 9.498 5.763 -1.680 524 H PHE 75 H PHE 75 4.137 10.856 2.276 525 HA PHE 75 HA PHE 75 4.160 13.040 0.239 526 1HB PHE 75 1HB PHE 75 1.729 11.840 1.436 527 2HB PHE 75 2HB PHE 75 1.924 12.605 -0.123 528 HD1 PHE 75 HD1 PHE 75 3.507 11.353 -1.841 529 HD2 PHE 75 HD2 PHE 75 1.902 9.465 1.687 530 HE1 PHE 75 HE1 PHE 75 4.161 9.129 -2.712 531 HE2 PHE 75 HE2 PHE 75 2.376 7.246 0.728 532 HZ PHE 75 HZ PHE 75 3.571 7.068 -1.433 533 H LYS 76 H LYS 76 4.551 12.765 3.601 534 HA LYS 76 HA LYS 76 2.558 14.863 4.249 535 1HB LYS 76 1HB LYS 76 4.027 12.815 5.753 536 2HB LYS 76 2HB LYS 76 4.251 14.404 6.451 537 1HG LYS 76 1HG LYS 76 2.390 13.759 7.560 538 2HG LYS 76 2HG LYS 76 1.618 14.653 6.258 539 1HD LYS 76 1HD LYS 76 2.100 11.661 6.368 540 2HD LYS 76 2HD LYS 76 0.591 12.391 6.885 541 1HE LYS 76 1HE LYS 76 -0.129 12.848 4.709 542 2HE LYS 76 2HE LYS 76 1.498 12.821 4.029 543 1HZ LYS 76 1HZ LYS 76 0.133 10.416 5.037 544 2HZ LYS 76 2HZ LYS 76 0.242 10.844 3.463 545 3HZ LYS 76 3HZ LYS 76 1.618 10.504 4.323 546 H LYS 77 H LYS 77 6.112 14.536 3.741 547 HA LYS 77 HA LYS 77 6.451 17.286 3.263 548 1HB LYS 77 1HB LYS 77 8.004 17.652 5.116 549 2HB LYS 77 2HB LYS 77 6.370 17.375 5.720 550 1HG LYS 77 1HG LYS 77 7.575 16.108 7.207 551 2HG LYS 77 2HG LYS 77 7.159 14.883 6.024 552 1HD LYS 77 1HD LYS 77 9.636 15.973 5.085 553 2HD LYS 77 2HD LYS 77 9.775 16.016 6.832 554 1HE LYS 77 1HE LYS 77 10.655 13.904 6.104 555 2HE LYS 77 2HE LYS 77 9.114 13.575 6.901 556 1HZ LYS 77 1HZ LYS 77 8.134 13.469 4.601 557 2HZ LYS 77 2HZ LYS 77 9.531 13.701 3.959 558 3HZ LYS 77 3HZ LYS 77 9.304 12.340 4.935 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -7.075 2.023 7.644 2 2H ALA 1 2H ALA 1 -7.126 3.396 8.288 3 3H ALA 1 3H ALA 1 -8.069 3.058 7.148 4 HA ALA 1 HA ALA 1 -6.481 3.688 5.485 5 1HB ALA 1 1HB ALA 1 -4.703 4.060 7.924 6 2HB ALA 1 2HB ALA 1 -4.344 4.575 6.257 7 3HB ALA 1 3HB ALA 1 -5.719 5.289 7.134 8 H TYR 2 H TYR 2 -5.454 2.301 4.073 9 HA TYR 2 HA TYR 2 -4.180 -0.148 5.187 10 1HB TYR 2 1HB TYR 2 -5.400 0.566 2.491 11 2HB TYR 2 2HB TYR 2 -4.411 -0.855 2.745 12 HD1 TYR 2 HD1 TYR 2 -7.662 0.715 3.608 13 HD2 TYR 2 HD2 TYR 2 -5.203 -2.814 3.926 14 HE1 TYR 2 HE1 TYR 2 -9.684 -0.674 3.988 15 HE2 TYR 2 HE2 TYR 2 -7.224 -4.198 4.211 16 HH TYR 2 HH TYR 2 -9.530 -4.124 3.587 17 H VAL 3 H VAL 3 -2.184 -0.807 4.560 18 HA VAL 3 HA VAL 3 -0.522 0.924 2.811 19 HB VAL 3 HB VAL 3 -0.123 0.373 5.766 20 1HG1 VAL 3 1HG1 VAL 3 2.064 0.801 3.723 21 2HG1 VAL 3 2HG1 VAL 3 2.242 1.292 5.416 22 3HG1 VAL 3 3HG1 VAL 3 1.944 -0.402 5.030 23 1HG2 VAL 3 1HG2 VAL 3 0.127 2.827 3.965 24 2HG2 VAL 3 2HG2 VAL 3 -1.118 2.494 5.186 25 3HG2 VAL 3 3HG2 VAL 3 0.542 2.809 5.689 26 H ILE 4 H ILE 4 1.096 -0.107 1.707 27 HA ILE 4 HA ILE 4 0.997 -2.954 1.417 28 HB ILE 4 HB ILE 4 2.259 -2.666 -0.387 29 1HG1 ILE 4 1HG1 ILE 4 4.359 -1.857 0.389 30 2HG1 ILE 4 2HG1 ILE 4 3.824 -0.905 -0.968 31 1HG2 ILE 4 1HG2 ILE 4 0.259 -1.317 -0.733 32 2HG2 ILE 4 2HG2 ILE 4 1.149 0.151 -0.311 33 3HG2 ILE 4 3HG2 ILE 4 1.614 -0.800 -1.725 34 1HD1 ILE 4 1HD1 ILE 4 2.882 0.701 1.019 35 2HD1 ILE 4 2HD1 ILE 4 4.213 -0.108 1.875 36 3HD1 ILE 4 3HD1 ILE 4 4.536 0.799 0.398 37 H THR 5 H THR 5 3.206 -4.189 1.384 38 HA THR 5 HA THR 5 5.156 -3.245 3.350 39 HB THR 5 HB THR 5 5.075 -5.504 4.508 40 HG1 THR 5 HG1 THR 5 2.471 -5.671 3.340 41 1HG2 THR 5 1HG2 THR 5 4.106 -3.378 5.480 42 2HG2 THR 5 2HG2 THR 5 2.516 -3.895 4.872 43 3HG2 THR 5 3HG2 THR 5 3.367 -4.897 6.057 44 H GLU 6 H GLU 6 6.987 -4.775 3.383 45 HA GLU 6 HA GLU 6 8.610 -5.362 1.525 46 1HB GLU 6 1HB GLU 6 8.378 -6.282 3.918 47 2HB GLU 6 2HB GLU 6 7.852 -7.756 3.129 48 1HG GLU 6 1HG GLU 6 9.931 -8.246 2.850 49 2HG GLU 6 2HG GLU 6 10.173 -6.902 1.771 50 HA PRO 7 HA PRO 7 6.995 -9.083 -0.753 51 1HB PRO 7 1HB PRO 7 4.039 -9.202 -0.313 52 2HB PRO 7 2HB PRO 7 5.202 -10.543 -0.446 53 1HG PRO 7 1HG PRO 7 4.234 -9.843 1.996 54 2HG PRO 7 2HG PRO 7 5.992 -10.145 1.812 55 1HD PRO 7 1HD PRO 7 4.556 -7.484 1.647 56 2HD PRO 7 2HD PRO 7 5.851 -7.913 2.757 57 H CYS 8 H CYS 8 5.243 -6.071 -0.642 58 HA CYS 8 HA CYS 8 4.221 -6.172 -3.295 59 1HB CYS 8 1HB CYS 8 3.190 -4.697 -1.706 60 2HB CYS 8 2HB CYS 8 4.746 -3.949 -1.353 61 H ILE 9 H ILE 9 7.423 -5.511 -2.006 62 HA ILE 9 HA ILE 9 8.440 -3.861 -4.084 63 HB ILE 9 HB ILE 9 9.651 -5.844 -2.114 64 1HG1 ILE 9 1HG1 ILE 9 11.018 -3.514 -1.864 65 2HG1 ILE 9 2HG1 ILE 9 9.490 -2.884 -2.468 66 1HG2 ILE 9 1HG2 ILE 9 11.158 -4.437 -4.369 67 2HG2 ILE 9 2HG2 ILE 9 11.904 -5.259 -2.979 68 3HG2 ILE 9 3HG2 ILE 9 10.998 -6.198 -4.157 69 1HD1 ILE 9 1HD1 ILE 9 8.310 -4.023 -0.615 70 2HD1 ILE 9 2HD1 ILE 9 9.907 -4.619 -0.050 71 3HD1 ILE 9 3HD1 ILE 9 9.547 -2.882 -0.056 72 H GLY 10 H GLY 10 8.492 -4.157 -6.232 73 1HA GLY 10 1HA GLY 10 9.074 -6.574 -7.582 74 2HA GLY 10 2HA GLY 10 7.314 -6.437 -7.359 75 H THR 11 H THR 11 9.477 -5.929 -9.618 76 HA THR 11 HA THR 11 9.461 -3.233 -10.202 77 HB THR 11 HB THR 11 11.102 -4.785 -11.074 78 HG1 THR 11 HG1 THR 11 10.997 -2.865 -12.086 79 1HG2 THR 11 1HG2 THR 11 9.561 -6.657 -11.772 80 2HG2 THR 11 2HG2 THR 11 9.034 -5.649 -13.139 81 3HG2 THR 11 3HG2 THR 11 10.722 -6.164 -13.021 82 H LYS 12 H LYS 12 8.078 -1.833 -10.858 83 HA LYS 12 HA LYS 12 5.972 -0.997 -11.273 84 1HB LYS 12 1HB LYS 12 6.813 -2.232 -13.921 85 2HB LYS 12 2HB LYS 12 5.668 -0.896 -13.744 86 1HG LYS 12 1HG LYS 12 8.583 -0.773 -12.821 87 2HG LYS 12 2HG LYS 12 8.006 -0.226 -14.393 88 1HD LYS 12 1HD LYS 12 6.594 1.474 -13.431 89 2HD LYS 12 2HD LYS 12 6.852 0.901 -11.795 90 1HE LYS 12 1HE LYS 12 9.405 1.511 -13.183 91 2HE LYS 12 2HE LYS 12 8.310 2.901 -13.035 92 1HZ LYS 12 1HZ LYS 12 8.162 2.487 -10.695 93 2HZ LYS 12 2HZ LYS 12 9.247 1.189 -10.824 94 3HZ LYS 12 3HZ LYS 12 9.728 2.718 -11.137 95 H CYS 13 H CYS 13 5.359 -3.149 -9.883 96 HA CYS 13 HA CYS 13 3.805 -5.131 -11.041 97 1HB CYS 13 1HB CYS 13 4.558 -5.361 -8.857 98 2HB CYS 13 2HB CYS 13 3.814 -3.855 -8.360 99 H ALA 14 H ALA 14 2.614 -2.078 -9.625 100 HA ALA 14 HA ALA 14 0.635 -0.991 -9.710 101 1HB ALA 14 1HB ALA 14 1.042 -0.904 -12.168 102 2HB ALA 14 2HB ALA 14 0.087 -2.386 -12.371 103 3HB ALA 14 3HB ALA 14 -0.677 -0.914 -11.743 104 H SER 15 H SER 15 -1.849 -2.582 -11.040 105 HA SER 15 HA SER 15 -3.438 -3.979 -10.372 106 1HB SER 15 1HB SER 15 -1.308 -5.591 -8.940 107 2HB SER 15 2HB SER 15 -2.914 -6.123 -9.441 108 HG SER 15 HG SER 15 -0.803 -5.217 -11.143 109 H CYS 16 H CYS 16 -3.396 -1.774 -9.115 110 HA CYS 16 HA CYS 16 -4.726 -1.892 -6.647 111 1HB CYS 16 1HB CYS 16 -2.932 -0.767 -5.140 112 2HB CYS 16 2HB CYS 16 -2.884 -2.515 -5.416 113 H VAL 17 H VAL 17 -2.942 -0.167 -9.112 114 HA VAL 17 HA VAL 17 -3.748 2.474 -8.203 115 HB VAL 17 HB VAL 17 -2.421 3.334 -9.896 116 1HG1 VAL 17 1HG1 VAL 17 -1.146 0.593 -9.446 117 2HG1 VAL 17 2HG1 VAL 17 -0.369 1.956 -10.233 118 3HG1 VAL 17 3HG1 VAL 17 -0.851 2.086 -8.540 119 1HG2 VAL 17 1HG2 VAL 17 -3.532 2.449 -11.857 120 2HG2 VAL 17 2HG2 VAL 17 -1.788 2.307 -11.999 121 3HG2 VAL 17 3HG2 VAL 17 -2.743 0.867 -11.621 122 H GLU 18 H GLU 18 -4.697 0.150 -10.587 123 HA GLU 18 HA GLU 18 -6.442 1.801 -12.071 124 1HB GLU 18 1HB GLU 18 -7.179 -0.413 -13.043 125 2HB GLU 18 2HB GLU 18 -5.482 0.037 -13.214 126 1HG GLU 18 1HG GLU 18 -6.285 -1.632 -10.856 127 2HG GLU 18 2HG GLU 18 -6.187 -2.391 -12.450 128 H VAL 19 H VAL 19 -7.034 0.894 -8.966 129 HA VAL 19 HA VAL 19 -10.001 0.979 -9.356 130 HB VAL 19 HB VAL 19 -10.176 -0.528 -7.397 131 1HG1 VAL 19 1HG1 VAL 19 -10.426 -1.428 -9.652 132 2HG1 VAL 19 2HG1 VAL 19 -8.676 -1.709 -9.773 133 3HG1 VAL 19 3HG1 VAL 19 -9.641 -2.609 -8.589 134 1HG2 VAL 19 1HG2 VAL 19 -7.906 -0.141 -6.413 135 2HG2 VAL 19 2HG2 VAL 19 -8.287 -1.850 -6.639 136 3HG2 VAL 19 3HG2 VAL 19 -7.188 -1.039 -7.767 137 H CYS 20 H CYS 20 -7.253 2.496 -7.789 138 HA CYS 20 HA CYS 20 -8.664 2.906 -5.353 139 1HB CYS 20 1HB CYS 20 -6.214 2.753 -5.488 140 2HB CYS 20 2HB CYS 20 -6.273 4.283 -6.381 141 HA PRO 21 HA PRO 21 -10.865 6.655 -6.677 142 1HB PRO 21 1HB PRO 21 -11.635 7.396 -4.059 143 2HB PRO 21 2HB PRO 21 -12.572 6.392 -5.195 144 1HG PRO 21 1HG PRO 21 -11.057 5.555 -2.791 145 2HG PRO 21 2HG PRO 21 -12.346 4.692 -3.668 146 1HD PRO 21 1HD PRO 21 -9.513 4.245 -3.816 147 2HD PRO 21 2HD PRO 21 -10.782 3.462 -4.809 148 H VAL 22 H VAL 22 -10.135 8.725 -6.789 149 HA VAL 22 HA VAL 22 -8.617 10.324 -6.882 150 HB VAL 22 HB VAL 22 -8.426 11.737 -4.995 151 1HG1 VAL 22 1HG1 VAL 22 -10.562 11.599 -6.185 152 2HG1 VAL 22 2HG1 VAL 22 -11.154 10.399 -5.012 153 3HG1 VAL 22 3HG1 VAL 22 -10.772 12.050 -4.488 154 1HG2 VAL 22 1HG2 VAL 22 -9.008 9.340 -3.266 155 2HG2 VAL 22 2HG2 VAL 22 -7.891 10.689 -3.035 156 3HG2 VAL 22 3HG2 VAL 22 -9.627 10.910 -2.785 157 H ASP 23 H ASP 23 -7.372 7.961 -7.200 158 HA ASP 23 HA ASP 23 -5.393 6.866 -7.113 159 1HB ASP 23 1HB ASP 23 -4.730 9.715 -7.939 160 2HB ASP 23 2HB ASP 23 -3.858 8.257 -8.428 161 H CYS 24 H CYS 24 -5.618 7.220 -4.412 162 HA CYS 24 HA CYS 24 -3.276 8.713 -3.447 163 1HB CYS 24 1HB CYS 24 -4.060 8.425 -1.319 164 2HB CYS 24 2HB CYS 24 -5.532 8.633 -2.295 165 HG CYS 24 HG CYS 24 -4.123 5.978 -0.943 166 H ILE 25 H ILE 25 -2.657 6.578 -5.190 167 HA ILE 25 HA ILE 25 -0.928 4.910 -3.485 168 HB ILE 25 HB ILE 25 -0.981 3.081 -4.905 169 1HG1 ILE 25 1HG1 ILE 25 -1.034 4.085 -7.082 170 2HG1 ILE 25 2HG1 ILE 25 -2.164 2.773 -6.882 171 1HG2 ILE 25 1HG2 ILE 25 -3.650 3.838 -3.880 172 2HG2 ILE 25 2HG2 ILE 25 -3.669 2.605 -5.150 173 3HG2 ILE 25 3HG2 ILE 25 -2.731 2.321 -3.734 174 1HD1 ILE 25 1HD1 ILE 25 -4.046 4.405 -6.695 175 2HD1 ILE 25 2HD1 ILE 25 -2.910 5.754 -6.872 176 3HD1 ILE 25 3HD1 ILE 25 -3.146 4.654 -8.201 177 H HIS 26 H HIS 26 1.237 5.032 -4.170 178 HA HIS 26 HA HIS 26 1.905 6.740 -6.505 179 1HB HIS 26 1HB HIS 26 2.815 6.799 -3.581 180 2HB HIS 26 2HB HIS 26 3.427 7.821 -4.875 181 HD1 HIS 26 HD1 HIS 26 1.322 9.406 -6.078 182 HD2 HIS 26 HD2 HIS 26 0.621 7.630 -2.333 183 HE1 HIS 26 HE1 HIS 26 -0.766 10.510 -5.125 184 H GLU 27 H GLU 27 4.138 6.338 -7.196 185 HA GLU 27 HA GLU 27 5.224 3.687 -6.459 186 1HB GLU 27 1HB GLU 27 6.015 5.646 -8.652 187 2HB GLU 27 2HB GLU 27 6.885 4.159 -8.228 188 1HG GLU 27 1HG GLU 27 4.863 2.839 -8.548 189 2HG GLU 27 2HG GLU 27 4.009 4.284 -9.150 190 H GLY 28 H GLY 28 6.933 3.409 -5.234 191 1HA GLY 28 1HA GLY 28 8.488 5.678 -4.090 192 2HA GLY 28 2HA GLY 28 8.691 3.938 -3.753 193 H GLU 29 H GLU 29 8.676 2.822 -6.142 194 HA GLU 29 HA GLU 29 9.825 3.906 -8.353 195 1HB GLU 29 1HB GLU 29 11.963 4.169 -7.220 196 2HB GLU 29 2HB GLU 29 11.958 2.498 -6.659 197 1HG GLU 29 1HG GLU 29 13.481 2.859 -8.559 198 2HG GLU 29 2HG GLU 29 12.199 1.764 -9.070 199 H ASP 30 H ASP 30 11.071 0.774 -7.356 200 HA ASP 30 HA ASP 30 8.862 -0.613 -8.836 201 1HB ASP 30 1HB ASP 30 11.794 -1.145 -8.299 202 2HB ASP 30 2HB ASP 30 10.713 -2.490 -8.606 203 H GLN 31 H GLN 31 7.905 0.379 -6.868 204 HA GLN 31 HA GLN 31 6.935 -1.590 -5.102 205 1HB GLN 31 1HB GLN 31 9.069 -1.360 -3.905 206 2HB GLN 31 2HB GLN 31 9.214 0.317 -4.381 207 1HG GLN 31 1HG GLN 31 8.946 0.401 -2.112 208 2HG GLN 31 2HG GLN 31 7.424 0.978 -2.784 209 1HE2 GLN 31 2HE2 GLN 31 6.835 -2.118 -3.314 210 2HE2 GLN 31 1HE2 GLN 31 6.217 -2.584 -1.753 211 H TYR 32 H TYR 32 5.017 -0.666 -4.258 212 HA TYR 32 HA TYR 32 4.455 2.136 -5.089 213 1HB TYR 32 1HB TYR 32 2.695 -0.297 -4.850 214 2HB TYR 32 2HB TYR 32 2.026 1.323 -4.752 215 HD1 TYR 32 HD1 TYR 32 4.274 -0.733 -6.993 216 HD2 TYR 32 HD2 TYR 32 1.462 2.528 -6.689 217 HE1 TYR 32 HE1 TYR 32 4.308 -0.466 -9.451 218 HE2 TYR 32 HE2 TYR 32 1.556 2.819 -9.145 219 HH TYR 32 HH TYR 32 3.484 2.012 -11.097 220 H TYR 33 H TYR 33 2.941 3.270 -3.655 221 HA TYR 33 HA TYR 33 3.193 2.691 -0.744 222 1HB TYR 33 1HB TYR 33 4.316 4.979 -2.392 223 2HB TYR 33 2HB TYR 33 3.687 5.316 -0.794 224 HD1 TYR 33 HD1 TYR 33 4.647 4.254 1.214 225 HD2 TYR 33 HD2 TYR 33 6.455 3.793 -2.647 226 HE1 TYR 33 HE1 TYR 33 6.541 3.007 2.258 227 HE2 TYR 33 HE2 TYR 33 8.430 2.710 -1.584 228 HH TYR 33 HH TYR 33 8.808 1.199 0.369 229 H ILE 34 H ILE 34 1.189 2.947 0.148 230 HA ILE 34 HA ILE 34 -0.880 4.405 -1.325 231 HB ILE 34 HB ILE 34 -0.936 2.392 0.933 232 1HG1 ILE 34 1HG1 ILE 34 -2.546 2.283 -1.645 233 2HG1 ILE 34 2HG1 ILE 34 -0.913 1.646 -1.629 234 1HG2 ILE 34 1HG2 ILE 34 -3.153 4.204 -0.091 235 2HG2 ILE 34 2HG2 ILE 34 -3.460 2.766 0.898 236 3HG2 ILE 34 3HG2 ILE 34 -2.543 4.093 1.570 237 1HD1 ILE 34 1HD1 ILE 34 -3.101 0.711 0.282 238 2HD1 ILE 34 2HD1 ILE 34 -2.682 -0.039 -1.262 239 3HD1 ILE 34 3HD1 ILE 34 -1.489 0.012 0.054 240 H ASP 35 H ASP 35 -1.492 6.506 -0.491 241 HA ASP 35 HA ASP 35 -0.081 7.447 1.917 242 1HB ASP 35 1HB ASP 35 -0.864 9.072 0.098 243 2HB ASP 35 2HB ASP 35 -2.498 8.816 0.757 244 HA PRO 36 HA PRO 36 -3.280 5.182 4.159 245 1HB PRO 36 1HB PRO 36 -2.538 5.798 6.724 246 2HB PRO 36 2HB PRO 36 -1.698 4.575 5.734 247 1HG PRO 36 1HG PRO 36 -0.901 7.438 6.264 248 2HG PRO 36 2HG PRO 36 0.141 5.978 6.250 249 1HD PRO 36 1HD PRO 36 -0.062 7.711 4.152 250 2HD PRO 36 2HD PRO 36 0.212 5.967 3.908 251 H ASP 37 H ASP 37 -2.488 8.637 4.490 252 HA ASP 37 HA ASP 37 -4.864 9.110 6.190 253 1HB ASP 37 1HB ASP 37 -2.786 11.017 5.109 254 2HB ASP 37 2HB ASP 37 -4.082 11.412 6.250 255 H VAL 38 H VAL 38 -3.873 9.338 2.770 256 HA VAL 38 HA VAL 38 -6.409 10.778 2.174 257 HB VAL 38 HB VAL 38 -4.299 9.824 0.263 258 1HG1 VAL 38 1HG1 VAL 38 -6.517 10.112 -0.802 259 2HG1 VAL 38 2HG1 VAL 38 -6.638 11.737 -0.106 260 3HG1 VAL 38 3HG1 VAL 38 -5.390 11.366 -1.315 261 1HG2 VAL 38 1HG2 VAL 38 -4.344 12.137 2.057 262 2HG2 VAL 38 2HG2 VAL 38 -3.071 11.566 0.963 263 3HG2 VAL 38 3HG2 VAL 38 -4.335 12.644 0.367 264 H CYS 39 H CYS 39 -5.123 7.418 2.181 265 HA CYS 39 HA CYS 39 -7.232 6.279 0.676 266 1HB CYS 39 1HB CYS 39 -5.286 4.977 1.310 267 2HB CYS 39 2HB CYS 39 -5.692 5.176 3.019 268 H ILE 40 H ILE 40 -9.337 6.255 0.997 269 HA ILE 40 HA ILE 40 -10.478 6.936 3.657 270 HB ILE 40 HB ILE 40 -12.559 7.300 2.352 271 1HG1 ILE 40 1HG1 ILE 40 -10.836 7.010 -0.157 272 2HG1 ILE 40 2HG1 ILE 40 -11.868 5.707 0.446 273 1HG2 ILE 40 1HG2 ILE 40 -10.897 9.105 2.874 274 2HG2 ILE 40 2HG2 ILE 40 -10.206 8.877 1.257 275 3HG2 ILE 40 3HG2 ILE 40 -11.880 9.422 1.442 276 1HD1 ILE 40 1HD1 ILE 40 -13.851 7.166 0.256 277 2HD1 ILE 40 2HD1 ILE 40 -12.829 8.468 -0.403 278 3HD1 ILE 40 3HD1 ILE 40 -13.013 6.948 -1.294 279 H ASP 41 H ASP 41 -9.342 4.315 3.323 280 HA ASP 41 HA ASP 41 -9.792 2.086 3.510 281 1HB ASP 41 1HB ASP 41 -11.739 3.413 5.424 282 2HB ASP 41 2HB ASP 41 -11.560 1.655 5.359 283 H CYS 42 H CYS 42 -10.878 2.980 1.166 284 HA CYS 42 HA CYS 42 -13.523 1.979 0.800 285 1HB CYS 42 1HB CYS 42 -13.293 2.559 -1.337 286 2HB CYS 42 2HB CYS 42 -12.085 3.630 -0.640 287 H GLY 43 H GLY 43 -10.456 0.377 0.981 288 1HA GLY 43 1HA GLY 43 -9.882 -1.848 0.875 289 2HA GLY 43 2HA GLY 43 -11.532 -2.267 0.383 290 H ALA 44 H ALA 44 -11.083 -3.457 -1.409 291 HA ALA 44 HA ALA 44 -10.945 -3.839 -3.619 292 1HB ALA 44 1HB ALA 44 -11.771 -1.390 -3.795 293 2HB ALA 44 2HB ALA 44 -10.110 -1.001 -4.280 294 3HB ALA 44 3HB ALA 44 -11.055 -2.162 -5.221 295 H CYS 45 H CYS 45 -8.302 -1.479 -3.029 296 HA CYS 45 HA CYS 45 -6.364 -2.572 -4.725 297 1HB CYS 45 1HB CYS 45 -4.767 -1.279 -3.460 298 2HB CYS 45 2HB CYS 45 -6.225 -0.431 -3.833 299 H GLU 46 H GLU 46 -6.847 -3.230 -1.276 300 HA GLU 46 HA GLU 46 -5.070 -5.256 -0.693 301 1HB GLU 46 1HB GLU 46 -6.958 -6.069 0.860 302 2HB GLU 46 2HB GLU 46 -6.437 -4.395 1.060 303 1HG GLU 46 1HG GLU 46 -8.354 -3.516 -0.069 304 2HG GLU 46 2HG GLU 46 -8.811 -5.098 -0.719 305 H ALA 47 H ALA 47 -8.047 -5.595 -2.562 306 HA ALA 47 HA ALA 47 -7.922 -8.533 -2.486 307 1HB ALA 47 1HB ALA 47 -10.087 -7.393 -2.226 308 2HB ALA 47 2HB ALA 47 -9.898 -6.640 -3.825 309 3HB ALA 47 3HB ALA 47 -10.046 -8.400 -3.687 310 H VAL 48 H VAL 48 -7.219 -5.793 -4.722 311 HA VAL 48 HA VAL 48 -6.952 -7.721 -6.948 312 HB VAL 48 HB VAL 48 -6.213 -5.804 -8.294 313 1HG1 VAL 48 1HG1 VAL 48 -8.929 -5.643 -6.915 314 2HG1 VAL 48 2HG1 VAL 48 -8.505 -4.852 -8.448 315 3HG1 VAL 48 3HG1 VAL 48 -8.515 -6.620 -8.340 316 1HG2 VAL 48 1HG2 VAL 48 -5.522 -4.353 -6.271 317 2HG2 VAL 48 2HG2 VAL 48 -6.431 -3.572 -7.581 318 3HG2 VAL 48 3HG2 VAL 48 -7.262 -4.039 -6.090 319 H CYS 49 H CYS 49 -4.764 -6.258 -4.561 320 HA CYS 49 HA CYS 49 -2.375 -6.969 -5.888 321 1HB CYS 49 1HB CYS 49 -2.715 -5.655 -3.685 322 2HB CYS 49 2HB CYS 49 -2.812 -7.261 -2.936 323 HA PRO 50 HA PRO 50 -3.542 -11.357 -5.878 324 1HB PRO 50 1HB PRO 50 -1.848 -12.338 -7.745 325 2HB PRO 50 2HB PRO 50 -3.065 -11.106 -8.171 326 1HG PRO 50 1HG PRO 50 -0.149 -10.622 -7.469 327 2HG PRO 50 2HG PRO 50 -1.022 -10.062 -8.924 328 1HD PRO 50 1HD PRO 50 -0.724 -8.489 -6.696 329 2HD PRO 50 2HD PRO 50 -2.185 -8.429 -7.714 330 H VAL 51 H VAL 51 -2.366 -10.709 -3.656 331 HA VAL 51 HA VAL 51 -0.559 -12.684 -2.710 332 HB VAL 51 HB VAL 51 1.437 -11.829 -3.270 333 1HG1 VAL 51 1HG1 VAL 51 0.021 -9.317 -4.239 334 2HG1 VAL 51 2HG1 VAL 51 1.783 -9.521 -4.295 335 3HG1 VAL 51 3HG1 VAL 51 0.772 -10.607 -5.221 336 1HG2 VAL 51 1HG2 VAL 51 1.313 -10.779 -0.980 337 2HG2 VAL 51 2HG2 VAL 51 2.360 -9.924 -2.114 338 3HG2 VAL 51 3HG2 VAL 51 0.740 -9.290 -1.796 339 H SER 52 H SER 52 -2.195 -9.509 -2.443 340 HA SER 52 HA SER 52 -3.008 -8.343 -0.739 341 1HB SER 52 1HB SER 52 -3.303 -11.061 0.576 342 2HB SER 52 2HB SER 52 -4.190 -9.578 0.982 343 HG SER 52 HG SER 52 -4.909 -9.587 -1.271 344 H ALA 53 H ALA 53 -0.541 -7.871 -0.837 345 HA ALA 53 HA ALA 53 0.917 -8.285 1.692 346 1HB ALA 53 1HB ALA 53 1.423 -6.470 -0.712 347 2HB ALA 53 2HB ALA 53 2.539 -6.722 0.646 348 3HB ALA 53 3HB ALA 53 2.144 -8.066 -0.437 349 H ILE 54 H ILE 54 -1.511 -6.214 0.427 350 HA ILE 54 HA ILE 54 -0.928 -3.856 2.002 351 HB ILE 54 HB ILE 54 -3.392 -4.713 0.472 352 1HG1 ILE 54 1HG1 ILE 54 -1.100 -2.927 -0.411 353 2HG1 ILE 54 2HG1 ILE 54 -1.353 -4.569 -0.998 354 1HG2 ILE 54 1HG2 ILE 54 -3.732 -2.931 2.193 355 2HG2 ILE 54 2HG2 ILE 54 -2.513 -1.935 1.376 356 3HG2 ILE 54 3HG2 ILE 54 -4.048 -2.347 0.572 357 1HD1 ILE 54 1HD1 ILE 54 -3.325 -2.302 -1.467 358 2HD1 ILE 54 2HD1 ILE 54 -2.155 -2.920 -2.623 359 3HD1 ILE 54 3HD1 ILE 54 -3.442 -3.980 -2.037 360 H TYR 55 H TYR 55 -1.496 -3.638 4.147 361 HA TYR 55 HA TYR 55 -3.844 -5.112 5.193 362 1HB TYR 55 1HB TYR 55 -1.036 -4.930 6.323 363 2HB TYR 55 2HB TYR 55 -2.415 -5.395 7.281 364 HD1 TYR 55 HD1 TYR 55 -3.842 -7.435 6.236 365 HD2 TYR 55 HD2 TYR 55 0.275 -6.576 5.274 366 HE1 TYR 55 HE1 TYR 55 -3.582 -9.711 5.286 367 HE2 TYR 55 HE2 TYR 55 0.522 -8.846 4.324 368 HH TYR 55 HH TYR 55 -1.239 -10.451 3.178 369 H HIS 56 H HIS 56 -4.382 -4.058 7.385 370 HA HIS 56 HA HIS 56 -4.469 -1.197 7.044 371 1HB HIS 56 1HB HIS 56 -6.050 -2.848 8.412 372 2HB HIS 56 2HB HIS 56 -4.858 -2.627 9.687 373 HD1 HIS 56 HD1 HIS 56 -5.425 -0.623 11.256 374 HD2 HIS 56 HD2 HIS 56 -7.027 -0.336 7.373 375 HE1 HIS 56 HE1 HIS 56 -6.735 1.559 11.170 376 H GLU 57 H GLU 57 -3.181 0.444 8.128 377 HA GLU 57 HA GLU 57 -0.568 -0.202 8.723 378 1HB GLU 57 1HB GLU 57 -2.412 1.979 9.969 379 2HB GLU 57 2HB GLU 57 -0.653 1.976 10.081 380 1HG GLU 57 1HG GLU 57 -0.492 2.312 7.686 381 2HG GLU 57 2HG GLU 57 -2.267 2.411 7.606 382 H ASP 58 H ASP 58 -3.247 -0.197 10.961 383 HA ASP 58 HA ASP 58 -1.777 -0.736 13.311 384 1HB ASP 58 1HB ASP 58 -4.184 -0.139 13.291 385 2HB ASP 58 2HB ASP 58 -4.535 -1.722 12.540 386 H PHE 59 H PHE 59 -2.680 -2.839 10.657 387 HA PHE 59 HA PHE 59 -2.518 -5.311 12.261 388 1HB PHE 59 1HB PHE 59 -3.102 -4.715 9.341 389 2HB PHE 59 2HB PHE 59 -3.067 -6.303 10.057 390 HD1 PHE 59 HD1 PHE 59 -4.592 -4.360 12.585 391 HD2 PHE 59 HD2 PHE 59 -5.354 -6.025 8.661 392 HE1 PHE 59 HE1 PHE 59 -6.987 -4.046 12.917 393 HE2 PHE 59 HE2 PHE 59 -7.783 -5.707 9.018 394 HZ PHE 59 HZ PHE 59 -8.611 -4.700 11.137 395 H VAL 60 H VAL 60 -0.650 -3.518 9.823 396 HA VAL 60 HA VAL 60 1.079 -5.565 9.046 397 HB VAL 60 HB VAL 60 1.431 -2.578 9.289 398 1HG1 VAL 60 1HG1 VAL 60 3.411 -4.689 8.322 399 2HG1 VAL 60 2HG1 VAL 60 3.502 -3.006 7.790 400 3HG1 VAL 60 3HG1 VAL 60 3.697 -3.393 9.503 401 1HG2 VAL 60 1HG2 VAL 60 1.067 -4.574 7.005 402 2HG2 VAL 60 2HG2 VAL 60 -0.112 -3.367 7.585 403 3HG2 VAL 60 3HG2 VAL 60 1.352 -2.859 6.746 404 HA PRO 61 HA PRO 61 3.033 -6.582 12.961 405 1HB PRO 61 1HB PRO 61 5.283 -7.511 11.166 406 2HB PRO 61 2HB PRO 61 4.552 -8.356 12.555 407 1HG PRO 61 1HG PRO 61 3.881 -9.060 10.019 408 2HG PRO 61 2HG PRO 61 2.609 -8.914 11.271 409 1HD PRO 61 1HD PRO 61 3.355 -6.908 9.131 410 2HD PRO 61 2HD PRO 61 1.743 -7.471 9.690 411 H GLU 62 H GLU 62 4.565 -5.606 14.362 412 HA GLU 62 HA GLU 62 5.667 -3.203 14.181 413 1HB GLU 62 1HB GLU 62 6.073 -5.764 15.649 414 2HB GLU 62 2HB GLU 62 7.177 -4.455 15.910 415 1HG GLU 62 1HG GLU 62 5.227 -4.464 17.516 416 2HG GLU 62 2HG GLU 62 5.369 -2.955 16.602 417 H GLU 63 H GLU 63 7.437 -6.194 13.222 418 HA GLU 63 HA GLU 63 9.907 -5.110 12.539 419 1HB GLU 63 1HB GLU 63 8.332 -7.121 10.891 420 2HB GLU 63 2HB GLU 63 10.080 -6.884 10.915 421 1HG GLU 63 1HG GLU 63 9.983 -8.661 12.330 422 2HG GLU 63 2HG GLU 63 9.734 -7.410 13.551 423 H TRP 64 H TRP 64 6.872 -5.009 10.734 424 HA TRP 64 HA TRP 64 8.026 -3.365 8.547 425 1HB TRP 64 1HB TRP 64 5.641 -5.198 8.777 426 2HB TRP 64 2HB TRP 64 5.882 -4.135 7.400 427 HD1 TRP 64 HD1 TRP 64 9.243 -4.985 7.642 428 HE1 TRP 64 HE1 TRP 64 9.876 -7.001 6.199 429 HE3 TRP 64 HE3 TRP 64 4.587 -7.076 6.991 430 HZ2 TRP 64 HZ2 TRP 64 8.621 -9.280 5.083 431 HZ3 TRP 64 HZ3 TRP 64 4.347 -9.095 5.579 432 HH2 TRP 64 HH2 TRP 64 6.372 -10.118 4.503 433 H LYS 65 H LYS 65 6.405 -2.724 11.495 434 HA LYS 65 HA LYS 65 4.581 -0.739 10.638 435 1HB LYS 65 1HB LYS 65 6.232 -1.289 13.114 436 2HB LYS 65 2HB LYS 65 5.302 0.131 12.973 437 1HG LYS 65 1HG LYS 65 4.093 -2.645 12.778 438 2HG LYS 65 2HG LYS 65 4.137 -1.619 14.232 439 1HD LYS 65 1HD LYS 65 2.904 0.104 12.669 440 2HD LYS 65 2HD LYS 65 2.490 -1.355 11.746 441 1HE LYS 65 1HE LYS 65 1.848 -0.792 14.694 442 2HE LYS 65 2HE LYS 65 0.714 -0.780 13.342 443 1HZ LYS 65 1HZ LYS 65 1.608 -3.221 13.121 444 2HZ LYS 65 2HZ LYS 65 1.908 -3.025 14.728 445 3HZ LYS 65 3HZ LYS 65 0.364 -2.859 14.115 446 H SER 66 H SER 66 8.055 -1.000 10.536 447 HA SER 66 HA SER 66 8.940 1.666 10.367 448 1HB SER 66 1HB SER 66 10.600 0.462 8.744 449 2HB SER 66 2HB SER 66 10.503 -0.148 10.409 450 HG SER 66 HG SER 66 9.928 -2.019 9.551 451 H TYR 67 H TYR 67 7.482 -0.519 7.888 452 HA TYR 67 HA TYR 67 7.546 1.443 5.774 453 1HB TYR 67 1HB TYR 67 5.780 -0.996 6.174 454 2HB TYR 67 2HB TYR 67 5.635 0.115 4.826 455 HD1 TYR 67 HD1 TYR 67 7.372 0.288 3.092 456 HD2 TYR 67 HD2 TYR 67 7.680 -2.598 6.281 457 HE1 TYR 67 HE1 TYR 67 9.085 -0.957 1.807 458 HE2 TYR 67 HE2 TYR 67 9.400 -3.840 4.987 459 HH TYR 67 HH TYR 67 10.654 -3.928 3.013 460 H ILE 68 H ILE 68 5.160 0.806 8.455 461 HA ILE 68 HA ILE 68 3.095 2.400 7.275 462 HB ILE 68 HB ILE 68 3.753 1.287 10.016 463 1HG1 ILE 68 1HG1 ILE 68 1.622 0.266 9.751 464 2HG1 ILE 68 2HG1 ILE 68 1.302 1.207 8.275 465 1HG2 ILE 68 1HG2 ILE 68 1.702 3.426 9.494 466 2HG2 ILE 68 2HG2 ILE 68 1.722 2.353 10.915 467 3HG2 ILE 68 3HG2 ILE 68 3.063 3.471 10.644 468 1HD1 ILE 68 1HD1 ILE 68 3.431 -0.917 8.612 469 2HD1 ILE 68 2HD1 ILE 68 1.871 -1.057 7.755 470 3HD1 ILE 68 3HD1 ILE 68 3.118 -0.027 7.105 471 H GLN 69 H GLN 69 5.720 3.102 9.629 472 HA GLN 69 HA GLN 69 5.155 5.840 9.796 473 1HB GLN 69 1HB GLN 69 6.777 4.578 11.221 474 2HB GLN 69 2HB GLN 69 7.920 4.555 9.872 475 1HG GLN 69 1HG GLN 69 8.457 6.341 11.462 476 2HG GLN 69 2HG GLN 69 8.015 7.028 9.892 477 1HE2 GLN 69 2HE2 GLN 69 6.097 8.267 9.693 478 2HE2 GLN 69 1HE2 GLN 69 5.246 8.823 11.136 479 H LYS 70 H LYS 70 7.096 4.086 7.347 480 HA LYS 70 HA LYS 70 7.931 6.449 6.011 481 1HB LYS 70 1HB LYS 70 8.928 4.053 5.796 482 2HB LYS 70 2HB LYS 70 7.556 3.698 4.768 483 1HG LYS 70 1HG LYS 70 9.451 4.205 3.358 484 2HG LYS 70 2HG LYS 70 8.206 5.411 3.182 485 1HD LYS 70 1HD LYS 70 9.918 6.492 5.210 486 2HD LYS 70 2HD LYS 70 10.994 5.651 4.117 487 1HE LYS 70 1HE LYS 70 10.804 7.932 3.352 488 2HE LYS 70 2HE LYS 70 9.998 6.888 2.180 489 1HZ LYS 70 1HZ LYS 70 7.869 7.565 3.503 490 2HZ LYS 70 2HZ LYS 70 8.814 8.753 4.123 491 3HZ LYS 70 3HZ LYS 70 8.585 8.672 2.520 492 H ASN 71 H ASN 71 5.238 4.296 5.352 493 HA ASN 71 HA ASN 71 4.089 5.634 3.095 494 1HB ASN 71 1HB ASN 71 3.023 3.823 5.221 495 2HB ASN 71 2HB ASN 71 1.913 4.591 4.108 496 1HD2 ASN 71 2HD2 ASN 71 4.755 2.449 4.239 497 2HD2 ASN 71 1HD2 ASN 71 4.442 1.677 2.688 498 H ARG 72 H ARG 72 3.749 6.118 6.596 499 HA ARG 72 HA ARG 72 1.573 7.906 6.720 500 1HB ARG 72 1HB ARG 72 2.765 6.669 8.531 501 2HB ARG 72 2HB ARG 72 4.021 7.882 8.498 502 1HG ARG 72 1HG ARG 72 2.891 9.175 9.855 503 2HG ARG 72 2HG ARG 72 1.572 9.318 8.686 504 1HD ARG 72 1HD ARG 72 1.957 6.912 10.553 505 2HD ARG 72 2HD ARG 72 1.015 8.304 11.035 506 HE ARG 72 HE ARG 72 0.236 6.256 9.008 507 1HH1 ARG 72 1HH1 ARG 72 -0.205 9.657 9.867 508 2HH1 ARG 72 2HH1 ARG 72 -1.819 9.661 9.175 509 1HH2 ARG 72 1HH2 ARG 72 -2.184 6.271 8.755 510 2HH2 ARG 72 2HH2 ARG 72 -2.822 7.928 8.481 511 H ASP 73 H ASP 73 5.066 8.286 6.723 512 HA ASP 73 HA ASP 73 5.341 11.098 6.721 513 1HB ASP 73 1HB ASP 73 6.971 9.494 7.627 514 2HB ASP 73 2HB ASP 73 7.078 8.657 6.090 515 H PHE 74 H PHE 74 5.711 8.818 4.045 516 HA PHE 74 HA PHE 74 7.080 10.057 2.181 517 1HB PHE 74 1HB PHE 74 4.949 8.163 2.084 518 2HB PHE 74 2HB PHE 74 4.849 9.268 0.727 519 HD1 PHE 74 HD1 PHE 74 6.824 9.711 -0.761 520 HD2 PHE 74 HD2 PHE 74 6.444 6.296 1.829 521 HE1 PHE 74 HE1 PHE 74 8.520 8.493 -2.098 522 HE2 PHE 74 HE2 PHE 74 8.360 5.210 0.664 523 HZ PHE 74 HZ PHE 74 9.351 6.270 -1.327 524 H PHE 75 H PHE 75 3.701 10.940 2.643 525 HA PHE 75 HA PHE 75 4.034 13.231 0.738 526 1HB PHE 75 1HB PHE 75 1.434 12.026 1.486 527 2HB PHE 75 2HB PHE 75 1.880 12.850 0.018 528 HD1 PHE 75 HD1 PHE 75 3.450 11.623 -1.638 529 HD2 PHE 75 HD2 PHE 75 1.603 9.631 1.712 530 HE1 PHE 75 HE1 PHE 75 3.969 9.417 -2.650 531 HE2 PHE 75 HE2 PHE 75 2.065 7.437 0.671 532 HZ PHE 75 HZ PHE 75 3.289 7.334 -1.493 533 H LYS 76 H LYS 76 4.044 12.813 4.059 534 HA LYS 76 HA LYS 76 1.802 14.666 4.626 535 1HB LYS 76 1HB LYS 76 3.172 12.474 5.949 536 2HB LYS 76 2HB LYS 76 3.253 13.880 6.968 537 1HG LYS 76 1HG LYS 76 1.308 12.183 7.237 538 2HG LYS 76 2HG LYS 76 1.039 13.908 7.425 539 1HD LYS 76 1HD LYS 76 -0.806 12.783 6.296 540 2HD LYS 76 2HD LYS 76 -0.139 14.101 5.365 541 1HE LYS 76 1HE LYS 76 -0.733 12.333 3.903 542 2HE LYS 76 2HE LYS 76 1.025 12.384 3.888 543 1HZ LYS 76 1HZ LYS 76 -0.436 10.576 5.665 544 2HZ LYS 76 2HZ LYS 76 -0.219 10.197 4.100 545 3HZ LYS 76 3HZ LYS 76 1.112 10.423 5.112 546 H LYS 77 H LYS 77 5.400 14.590 4.816 547 HA LYS 77 HA LYS 77 5.683 17.369 4.654 548 1HB LYS 77 1HB LYS 77 6.695 17.676 6.833 549 2HB LYS 77 2HB LYS 77 5.017 17.194 7.051 550 1HG LYS 77 1HG LYS 77 5.936 15.833 8.620 551 2HG LYS 77 2HG LYS 77 6.083 14.743 7.252 552 1HD LYS 77 1HD LYS 77 8.480 16.370 7.274 553 2HD LYS 77 2HD LYS 77 8.122 15.990 8.948 554 1HE LYS 77 1HE LYS 77 9.550 14.248 8.188 555 2HE LYS 77 2HE LYS 77 7.937 13.532 8.266 556 1HZ LYS 77 1HZ LYS 77 7.806 13.932 5.816 557 2HZ LYS 77 2HZ LYS 77 9.305 14.474 5.806 558 3HZ LYS 77 3HZ LYS 77 8.963 12.892 6.288 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -6.501 1.803 8.101 2 2H ALA 1 2H ALA 1 -6.609 3.291 8.384 3 3H ALA 1 3H ALA 1 -7.795 2.540 7.806 4 HA ALA 1 HA ALA 1 -7.033 2.799 5.551 5 1HB ALA 1 1HB ALA 1 -6.079 4.898 6.361 6 2HB ALA 1 2HB ALA 1 -4.609 4.054 6.896 7 3HB ALA 1 3HB ALA 1 -5.001 4.125 5.170 8 H TYR 2 H TYR 2 -5.308 1.878 4.013 9 HA TYR 2 HA TYR 2 -4.007 -0.487 5.295 10 1HB TYR 2 1HB TYR 2 -5.020 -0.299 2.443 11 2HB TYR 2 2HB TYR 2 -4.336 -1.697 3.285 12 HD1 TYR 2 HD1 TYR 2 -7.281 0.592 3.268 13 HD2 TYR 2 HD2 TYR 2 -5.716 -3.286 4.315 14 HE1 TYR 2 HE1 TYR 2 -9.559 -0.193 3.878 15 HE2 TYR 2 HE2 TYR 2 -7.982 -4.016 4.977 16 HH TYR 2 HH TYR 2 -10.422 -1.499 5.624 17 H VAL 3 H VAL 3 -2.029 -1.150 4.556 18 HA VAL 3 HA VAL 3 -0.495 0.818 2.896 19 HB VAL 3 HB VAL 3 0.109 -0.071 5.742 20 1HG1 VAL 3 1HG1 VAL 3 1.939 1.012 3.602 21 2HG1 VAL 3 2HG1 VAL 3 2.253 1.353 5.304 22 3HG1 VAL 3 3HG1 VAL 3 2.214 -0.321 4.746 23 1HG2 VAL 3 1HG2 VAL 3 -0.154 2.645 4.364 24 2HG2 VAL 3 2HG2 VAL 3 -1.291 1.940 5.533 25 3HG2 VAL 3 3HG2 VAL 3 0.329 2.409 6.053 26 H ILE 4 H ILE 4 1.113 0.077 1.695 27 HA ILE 4 HA ILE 4 1.342 -2.735 1.060 28 HB ILE 4 HB ILE 4 2.813 -0.190 0.200 29 1HG1 ILE 4 1HG1 ILE 4 1.942 -1.345 -2.090 30 2HG1 ILE 4 2HG1 ILE 4 0.763 -2.055 -0.992 31 1HG2 ILE 4 1HG2 ILE 4 3.478 -3.040 -0.537 32 2HG2 ILE 4 2HG2 ILE 4 4.041 -1.636 -1.458 33 3HG2 ILE 4 3HG2 ILE 4 4.570 -1.842 0.198 34 1HD1 ILE 4 1HD1 ILE 4 0.174 0.285 -0.251 35 2HD1 ILE 4 2HD1 ILE 4 1.323 0.898 -1.458 36 3HD1 ILE 4 3HD1 ILE 4 -0.096 -0.029 -1.984 37 H THR 5 H THR 5 3.057 -4.123 1.472 38 HA THR 5 HA THR 5 5.211 -3.212 3.284 39 HB THR 5 HB THR 5 4.935 -5.413 4.510 40 HG1 THR 5 HG1 THR 5 2.350 -5.386 3.278 41 1HG2 THR 5 1HG2 THR 5 4.197 -3.245 5.462 42 2HG2 THR 5 2HG2 THR 5 2.583 -3.501 4.759 43 3HG2 THR 5 3HG2 THR 5 3.216 -4.634 5.975 44 H GLU 6 H GLU 6 6.892 -4.762 3.389 45 HA GLU 6 HA GLU 6 8.489 -5.380 1.530 46 1HB GLU 6 1HB GLU 6 8.651 -5.871 3.837 47 2HB GLU 6 2HB GLU 6 7.766 -7.372 3.653 48 1HG GLU 6 1HG GLU 6 9.533 -8.394 2.533 49 2HG GLU 6 2HG GLU 6 10.227 -6.853 2.042 50 HA PRO 7 HA PRO 7 6.866 -9.433 -0.276 51 1HB PRO 7 1HB PRO 7 3.888 -9.284 0.148 52 2HB PRO 7 2HB PRO 7 4.941 -10.728 0.116 53 1HG PRO 7 1HG PRO 7 4.097 -9.763 2.505 54 2HG PRO 7 2HG PRO 7 5.831 -10.182 2.312 55 1HD PRO 7 1HD PRO 7 4.541 -7.466 1.981 56 2HD PRO 7 2HD PRO 7 5.878 -7.908 3.052 57 H CYS 8 H CYS 8 5.108 -6.386 -0.593 58 HA CYS 8 HA CYS 8 4.145 -6.726 -3.263 59 1HB CYS 8 1HB CYS 8 3.369 -4.911 -1.892 60 2HB CYS 8 2HB CYS 8 5.040 -4.377 -1.634 61 H ILE 9 H ILE 9 7.409 -6.052 -1.969 62 HA ILE 9 HA ILE 9 8.362 -4.745 -4.336 63 HB ILE 9 HB ILE 9 9.815 -5.925 -1.937 64 1HG1 ILE 9 1HG1 ILE 9 10.397 -3.324 -1.881 65 2HG1 ILE 9 2HG1 ILE 9 8.954 -3.167 -2.861 66 1HG2 ILE 9 1HG2 ILE 9 10.949 -4.336 -4.288 67 2HG2 ILE 9 2HG2 ILE 9 11.807 -4.725 -2.780 68 3HG2 ILE 9 3HG2 ILE 9 11.382 -6.014 -3.889 69 1HD1 ILE 9 1HD1 ILE 9 9.232 -4.411 -0.151 70 2HD1 ILE 9 2HD1 ILE 9 8.548 -2.806 -0.466 71 3HD1 ILE 9 3HD1 ILE 9 7.659 -4.248 -0.996 72 H GLY 10 H GLY 10 7.572 -6.012 -5.947 73 1HA GLY 10 1HA GLY 10 9.516 -8.047 -6.940 74 2HA GLY 10 2HA GLY 10 7.763 -8.350 -6.996 75 H THR 11 H THR 11 9.772 -5.471 -7.489 76 HA THR 11 HA THR 11 9.838 -3.866 -8.921 77 HB THR 11 HB THR 11 11.155 -5.496 -10.143 78 HG1 THR 11 HG1 THR 11 10.991 -3.466 -10.963 79 1HG2 THR 11 1HG2 THR 11 8.575 -6.186 -11.610 80 2HG2 THR 11 2HG2 THR 11 10.193 -6.497 -12.265 81 3HG2 THR 11 3HG2 THR 11 9.692 -7.278 -10.763 82 H LYS 12 H LYS 12 8.636 -3.738 -11.621 83 HA LYS 12 HA LYS 12 6.488 -2.057 -10.772 84 1HB LYS 12 1HB LYS 12 7.206 -2.789 -13.630 85 2HB LYS 12 2HB LYS 12 6.314 -1.370 -13.064 86 1HG LYS 12 1HG LYS 12 8.743 -1.393 -11.622 87 2HG LYS 12 2HG LYS 12 9.205 -1.871 -13.233 88 1HD LYS 12 1HD LYS 12 9.454 0.440 -13.355 89 2HD LYS 12 2HD LYS 12 7.821 0.243 -13.998 90 1HE LYS 12 1HE LYS 12 7.811 2.093 -12.397 91 2HE LYS 12 2HE LYS 12 6.911 0.754 -11.695 92 1HZ LYS 12 1HZ LYS 12 9.184 0.238 -10.551 93 2HZ LYS 12 2HZ LYS 12 9.546 1.785 -10.926 94 3HZ LYS 12 3HZ LYS 12 8.221 1.482 -10.038 95 H CYS 13 H CYS 13 5.391 -4.003 -9.732 96 HA CYS 13 HA CYS 13 3.594 -5.738 -10.980 97 1HB CYS 13 1HB CYS 13 3.870 -5.758 -8.635 98 2HB CYS 13 2HB CYS 13 3.517 -4.037 -8.550 99 H ALA 14 H ALA 14 2.952 -2.411 -9.914 100 HA ALA 14 HA ALA 14 1.345 -0.878 -10.410 101 1HB ALA 14 1HB ALA 14 2.935 -0.640 -12.290 102 2HB ALA 14 2HB ALA 14 1.960 -1.773 -13.252 103 3HB ALA 14 3HB ALA 14 1.280 -0.208 -12.755 104 H SER 15 H SER 15 0.157 -3.270 -9.618 105 HA SER 15 HA SER 15 -2.294 -3.464 -11.305 106 1HB SER 15 1HB SER 15 -1.512 -5.104 -8.883 107 2HB SER 15 2HB SER 15 -2.898 -5.357 -9.947 108 HG SER 15 HG SER 15 -0.204 -5.304 -10.878 109 H CYS 16 H CYS 16 -1.308 -2.444 -7.988 110 HA CYS 16 HA CYS 16 -4.028 -1.541 -7.346 111 1HB CYS 16 1HB CYS 16 -2.976 -0.571 -5.326 112 2HB CYS 16 2HB CYS 16 -2.878 -2.332 -5.484 113 H VAL 17 H VAL 17 -4.053 -0.476 -9.489 114 HA VAL 17 HA VAL 17 -3.448 2.396 -9.233 115 HB VAL 17 HB VAL 17 -2.651 2.522 -11.550 116 1HG1 VAL 17 1HG1 VAL 17 -1.011 2.344 -9.698 117 2HG1 VAL 17 2HG1 VAL 17 -0.912 0.589 -9.966 118 3HG1 VAL 17 3HG1 VAL 17 -0.397 1.712 -11.236 119 1HG2 VAL 17 1HG2 VAL 17 -2.661 -0.525 -11.512 120 2HG2 VAL 17 2HG2 VAL 17 -3.679 0.512 -12.524 121 3HG2 VAL 17 3HG2 VAL 17 -1.930 0.491 -12.772 122 H GLU 18 H GLU 18 -4.726 3.575 -11.033 123 HA GLU 18 HA GLU 18 -6.868 4.196 -11.459 124 1HB GLU 18 1HB GLU 18 -6.782 1.896 -13.223 125 2HB GLU 18 2HB GLU 18 -7.424 3.507 -13.536 126 1HG GLU 18 1HG GLU 18 -4.496 2.651 -13.405 127 2HG GLU 18 2HG GLU 18 -5.363 3.361 -14.764 128 H VAL 19 H VAL 19 -7.075 2.728 -9.116 129 HA VAL 19 HA VAL 19 -9.825 1.603 -9.373 130 HB VAL 19 HB VAL 19 -8.159 -0.220 -9.358 131 1HG1 VAL 19 1HG1 VAL 19 -6.437 0.867 -7.856 132 2HG1 VAL 19 2HG1 VAL 19 -7.520 0.562 -6.481 133 3HG1 VAL 19 3HG1 VAL 19 -6.865 -0.791 -7.415 134 1HG2 VAL 19 1HG2 VAL 19 -10.444 -0.566 -8.503 135 2HG2 VAL 19 2HG2 VAL 19 -9.264 -1.576 -7.652 136 3HG2 VAL 19 3HG2 VAL 19 -9.909 -0.127 -6.865 137 H CYS 20 H CYS 20 -7.373 3.113 -7.202 138 HA CYS 20 HA CYS 20 -8.998 3.091 -4.982 139 1HB CYS 20 1HB CYS 20 -6.566 3.425 -4.959 140 2HB CYS 20 2HB CYS 20 -6.870 5.015 -5.676 141 HA PRO 21 HA PRO 21 -12.321 5.860 -6.026 142 1HB PRO 21 1HB PRO 21 -11.977 6.579 -3.095 143 2HB PRO 21 2HB PRO 21 -13.500 6.357 -4.005 144 1HG PRO 21 1HG PRO 21 -12.516 4.321 -2.501 145 2HG PRO 21 2HG PRO 21 -13.129 3.989 -4.149 146 1HD PRO 21 1HD PRO 21 -10.243 4.253 -3.269 147 2HD PRO 21 2HD PRO 21 -11.017 3.131 -4.436 148 H VAL 22 H VAL 22 -9.642 7.284 -4.089 149 HA VAL 22 HA VAL 22 -10.126 9.926 -5.417 150 HB VAL 22 HB VAL 22 -9.596 10.974 -3.226 151 1HG1 VAL 22 1HG1 VAL 22 -11.925 10.710 -4.011 152 2HG1 VAL 22 2HG1 VAL 22 -12.047 9.179 -3.118 153 3HG1 VAL 22 3HG1 VAL 22 -11.782 10.699 -2.244 154 1HG2 VAL 22 1HG2 VAL 22 -8.436 9.005 -2.165 155 2HG2 VAL 22 2HG2 VAL 22 -9.707 9.712 -1.155 156 3HG2 VAL 22 3HG2 VAL 22 -10.008 8.195 -2.018 157 H ASP 23 H ASP 23 -8.194 7.712 -6.025 158 HA ASP 23 HA ASP 23 -5.996 7.426 -6.457 159 1HB ASP 23 1HB ASP 23 -6.301 9.702 -7.529 160 2HB ASP 23 2HB ASP 23 -5.633 10.433 -6.065 161 H CYS 24 H CYS 24 -3.697 8.250 -5.364 162 HA CYS 24 HA CYS 24 -2.644 8.874 -3.280 163 1HB CYS 24 1HB CYS 24 -3.103 7.936 -1.194 164 2HB CYS 24 2HB CYS 24 -4.647 8.535 -1.778 165 HG CYS 24 HG CYS 24 -5.352 6.164 -2.768 166 H ILE 25 H ILE 25 -3.008 6.392 -5.401 167 HA ILE 25 HA ILE 25 -1.000 4.604 -4.163 168 HB ILE 25 HB ILE 25 -1.428 3.327 -6.417 169 1HG1 ILE 25 1HG1 ILE 25 -3.811 3.204 -6.956 170 2HG1 ILE 25 2HG1 ILE 25 -4.149 4.661 -6.024 171 1HG2 ILE 25 1HG2 ILE 25 -3.299 3.308 -4.034 172 2HG2 ILE 25 2HG2 ILE 25 -3.117 1.972 -5.179 173 3HG2 ILE 25 3HG2 ILE 25 -1.742 2.442 -4.186 174 1HD1 ILE 25 1HD1 ILE 25 -2.279 4.533 -8.443 175 2HD1 ILE 25 2HD1 ILE 25 -3.984 5.029 -8.505 176 3HD1 ILE 25 3HD1 ILE 25 -2.823 6.002 -7.601 177 H HIS 26 H HIS 26 1.092 5.055 -4.443 178 HA HIS 26 HA HIS 26 1.997 6.627 -6.800 179 1HB HIS 26 1HB HIS 26 2.535 6.853 -3.813 180 2HB HIS 26 2HB HIS 26 3.383 7.759 -5.068 181 HD1 HIS 26 HD1 HIS 26 1.102 8.845 -6.879 182 HD2 HIS 26 HD2 HIS 26 0.696 8.309 -2.748 183 HE1 HIS 26 HE1 HIS 26 -0.842 10.322 -6.153 184 H GLU 27 H GLU 27 4.499 6.463 -6.840 185 HA GLU 27 HA GLU 27 5.520 3.897 -5.682 186 1HB GLU 27 1HB GLU 27 6.538 5.336 -8.181 187 2HB GLU 27 2HB GLU 27 7.159 3.837 -7.448 188 1HG GLU 27 1HG GLU 27 4.929 2.814 -7.707 189 2HG GLU 27 2HG GLU 27 4.472 4.245 -8.642 190 H GLY 28 H GLY 28 7.937 4.071 -5.540 191 1HA GLY 28 1HA GLY 28 9.074 6.708 -4.912 192 2HA GLY 28 2HA GLY 28 8.982 5.572 -3.550 193 H GLU 29 H GLU 29 9.355 3.162 -5.053 194 HA GLU 29 HA GLU 29 12.174 3.419 -6.006 195 1HB GLU 29 1HB GLU 29 11.154 1.414 -3.927 196 2HB GLU 29 2HB GLU 29 12.714 1.378 -4.753 197 1HG GLU 29 1HG GLU 29 13.449 2.484 -2.945 198 2HG GLU 29 2HG GLU 29 12.823 3.913 -3.763 199 H ASP 30 H ASP 30 10.451 0.404 -5.435 200 HA ASP 30 HA ASP 30 9.554 0.248 -8.181 201 1HB ASP 30 1HB ASP 30 12.134 -0.414 -7.942 202 2HB ASP 30 2HB ASP 30 11.501 -1.931 -7.297 203 H GLN 31 H GLN 31 7.859 0.482 -6.502 204 HA GLN 31 HA GLN 31 6.331 -1.885 -6.108 205 1HB GLN 31 1HB GLN 31 6.215 -1.456 -3.537 206 2HB GLN 31 2HB GLN 31 7.534 -2.392 -4.209 207 1HG GLN 31 1HG GLN 31 8.201 -0.723 -2.426 208 2HG GLN 31 2HG GLN 31 9.079 -0.579 -3.939 209 1HE2 GLN 31 2HE2 GLN 31 6.048 0.699 -2.497 210 2HE2 GLN 31 1HE2 GLN 31 6.332 2.349 -3.011 211 H TYR 32 H TYR 32 4.426 -0.885 -4.422 212 HA TYR 32 HA TYR 32 3.992 1.925 -5.283 213 1HB TYR 32 1HB TYR 32 2.054 -0.351 -5.169 214 2HB TYR 32 2HB TYR 32 1.493 1.264 -4.780 215 HD1 TYR 32 HD1 TYR 32 3.504 -0.487 -7.465 216 HD2 TYR 32 HD2 TYR 32 0.859 2.761 -6.450 217 HE1 TYR 32 HE1 TYR 32 3.761 0.443 -9.741 218 HE2 TYR 32 HE2 TYR 32 1.061 3.641 -8.752 219 HH TYR 32 HH TYR 32 3.600 2.680 -10.797 220 H TYR 33 H TYR 33 2.788 3.234 -3.815 221 HA TYR 33 HA TYR 33 3.094 2.663 -0.918 222 1HB TYR 33 1HB TYR 33 4.058 4.970 -2.668 223 2HB TYR 33 2HB TYR 33 3.511 5.323 -1.053 224 HD1 TYR 33 HD1 TYR 33 4.607 3.503 0.770 225 HD2 TYR 33 HD2 TYR 33 6.460 5.088 -2.731 226 HE1 TYR 33 HE1 TYR 33 6.663 2.246 1.333 227 HE2 TYR 33 HE2 TYR 33 8.585 3.939 -2.110 228 HH TYR 33 HH TYR 33 9.378 2.105 -0.976 229 H ILE 34 H ILE 34 1.157 3.250 0.133 230 HA ILE 34 HA ILE 34 -0.929 4.545 -1.493 231 HB ILE 34 HB ILE 34 -1.021 2.331 0.530 232 1HG1 ILE 34 1HG1 ILE 34 -2.771 2.826 -1.932 233 2HG1 ILE 34 2HG1 ILE 34 -1.232 1.977 -2.032 234 1HG2 ILE 34 1HG2 ILE 34 -3.264 4.328 0.104 235 2HG2 ILE 34 2HG2 ILE 34 -3.465 2.755 0.895 236 3HG2 ILE 34 3HG2 ILE 34 -2.436 3.955 1.628 237 1HD1 ILE 34 1HD1 ILE 34 -2.077 0.355 -0.341 238 2HD1 ILE 34 2HD1 ILE 34 -3.681 1.074 -0.480 239 3HD1 ILE 34 3HD1 ILE 34 -2.931 0.337 -1.900 240 H ASP 35 H ASP 35 -1.331 6.670 -0.689 241 HA ASP 35 HA ASP 35 -0.058 7.462 1.798 242 1HB ASP 35 1HB ASP 35 -0.849 9.172 0.044 243 2HB ASP 35 2HB ASP 35 -2.459 8.909 0.744 244 HA PRO 36 HA PRO 36 -3.263 5.125 3.988 245 1HB PRO 36 1HB PRO 36 -2.431 5.492 6.556 246 2HB PRO 36 2HB PRO 36 -1.592 4.391 5.423 247 1HG PRO 36 1HG PRO 36 -0.847 7.211 6.210 248 2HG PRO 36 2HG PRO 36 0.240 5.805 6.013 249 1HD PRO 36 1HD PRO 36 -0.162 7.773 4.109 250 2HD PRO 36 2HD PRO 36 0.256 6.109 3.681 251 H ASP 37 H ASP 37 -2.379 8.504 4.490 252 HA ASP 37 HA ASP 37 -4.627 9.025 6.307 253 1HB ASP 37 1HB ASP 37 -2.611 10.954 5.165 254 2HB ASP 37 2HB ASP 37 -3.688 11.198 6.534 255 H VAL 38 H VAL 38 -3.739 9.352 2.842 256 HA VAL 38 HA VAL 38 -6.294 10.730 2.300 257 HB VAL 38 HB VAL 38 -4.378 9.468 0.338 258 1HG1 VAL 38 1HG1 VAL 38 -6.736 11.352 -0.052 259 2HG1 VAL 38 2HG1 VAL 38 -5.538 10.943 -1.297 260 3HG1 VAL 38 3HG1 VAL 38 -6.593 9.685 -0.650 261 1HG2 VAL 38 1HG2 VAL 38 -3.356 11.371 1.628 262 2HG2 VAL 38 2HG2 VAL 38 -3.646 11.798 -0.061 263 3HG2 VAL 38 3HG2 VAL 38 -4.751 12.376 1.202 264 H CYS 39 H CYS 39 -5.117 7.304 2.180 265 HA CYS 39 HA CYS 39 -7.330 6.194 0.887 266 1HB CYS 39 1HB CYS 39 -5.376 4.879 1.386 267 2HB CYS 39 2HB CYS 39 -5.628 5.128 3.112 268 H ILE 40 H ILE 40 -9.434 6.007 1.367 269 HA ILE 40 HA ILE 40 -10.420 6.728 4.074 270 HB ILE 40 HB ILE 40 -12.591 6.955 2.929 271 1HG1 ILE 40 1HG1 ILE 40 -11.074 6.614 0.295 272 2HG1 ILE 40 2HG1 ILE 40 -11.996 5.300 1.034 273 1HG2 ILE 40 1HG2 ILE 40 -10.914 8.830 3.211 274 2HG2 ILE 40 2HG2 ILE 40 -10.421 8.563 1.530 275 3HG2 ILE 40 3HG2 ILE 40 -12.080 9.063 1.907 276 1HD1 ILE 40 1HD1 ILE 40 -14.047 6.663 0.958 277 2HD1 ILE 40 2HD1 ILE 40 -13.145 7.985 0.177 278 3HD1 ILE 40 3HD1 ILE 40 -13.333 6.429 -0.650 279 H ASP 41 H ASP 41 -9.162 4.237 3.834 280 HA ASP 41 HA ASP 41 -9.370 2.032 4.062 281 1HB ASP 41 1HB ASP 41 -9.868 3.244 6.311 282 2HB ASP 41 2HB ASP 41 -11.480 2.545 6.153 283 H CYS 42 H CYS 42 -10.480 2.130 1.849 284 HA CYS 42 HA CYS 42 -13.268 1.173 1.854 285 1HB CYS 42 1HB CYS 42 -13.402 1.881 -0.241 286 2HB CYS 42 2HB CYS 42 -12.201 3.023 0.347 287 H GLY 43 H GLY 43 -10.099 -0.198 1.529 288 1HA GLY 43 1HA GLY 43 -9.405 -2.352 1.072 289 2HA GLY 43 2HA GLY 43 -11.079 -2.847 0.766 290 H ALA 44 H ALA 44 -11.134 -3.592 -1.306 291 HA ALA 44 HA ALA 44 -11.007 -3.771 -3.527 292 1HB ALA 44 1HB ALA 44 -12.022 -1.521 -3.540 293 2HB ALA 44 2HB ALA 44 -10.412 -0.785 -3.653 294 3HB ALA 44 3HB ALA 44 -10.994 -1.834 -4.952 295 H CYS 45 H CYS 45 -8.377 -1.400 -2.906 296 HA CYS 45 HA CYS 45 -6.544 -2.365 -4.805 297 1HB CYS 45 1HB CYS 45 -4.884 -1.127 -3.579 298 2HB CYS 45 2HB CYS 45 -6.369 -0.238 -3.817 299 H GLU 46 H GLU 46 -6.793 -3.278 -1.333 300 HA GLU 46 HA GLU 46 -4.798 -5.251 -1.330 301 1HB GLU 46 1HB GLU 46 -5.807 -4.489 0.767 302 2HB GLU 46 2HB GLU 46 -7.399 -5.027 0.247 303 1HG GLU 46 1HG GLU 46 -6.573 -6.496 1.930 304 2HG GLU 46 2HG GLU 46 -6.692 -7.395 0.423 305 H ALA 47 H ALA 47 -8.172 -5.542 -2.433 306 HA ALA 47 HA ALA 47 -8.035 -8.441 -2.748 307 1HB ALA 47 1HB ALA 47 -10.184 -7.268 -2.364 308 2HB ALA 47 2HB ALA 47 -10.015 -6.450 -3.934 309 3HB ALA 47 3HB ALA 47 -10.178 -8.214 -3.865 310 H VAL 48 H VAL 48 -7.413 -5.544 -4.743 311 HA VAL 48 HA VAL 48 -7.079 -6.974 -7.217 312 HB VAL 48 HB VAL 48 -6.279 -4.226 -6.240 313 1HG1 VAL 48 1HG1 VAL 48 -5.850 -5.406 -9.002 314 2HG1 VAL 48 2HG1 VAL 48 -5.745 -3.682 -8.577 315 3HG1 VAL 48 3HG1 VAL 48 -4.596 -4.825 -7.875 316 1HG2 VAL 48 1HG2 VAL 48 -8.353 -5.262 -8.224 317 2HG2 VAL 48 2HG2 VAL 48 -8.685 -4.565 -6.627 318 3HG2 VAL 48 3HG2 VAL 48 -8.010 -3.552 -7.911 319 H CYS 49 H CYS 49 -4.800 -6.048 -4.564 320 HA CYS 49 HA CYS 49 -2.483 -6.855 -5.929 321 1HB CYS 49 1HB CYS 49 -2.648 -5.592 -3.719 322 2HB CYS 49 2HB CYS 49 -2.875 -7.174 -2.953 323 HA PRO 50 HA PRO 50 -3.794 -11.155 -6.143 324 1HB PRO 50 1HB PRO 50 -1.897 -12.197 -7.804 325 2HB PRO 50 2HB PRO 50 -3.124 -11.025 -8.359 326 1HG PRO 50 1HG PRO 50 -0.276 -10.437 -7.499 327 2HG PRO 50 2HG PRO 50 -1.096 -9.913 -9.001 328 1HD PRO 50 1HD PRO 50 -0.925 -8.313 -6.794 329 2HD PRO 50 2HD PRO 50 -2.366 -8.299 -7.851 330 H VAL 51 H VAL 51 -1.576 -10.007 -4.160 331 HA VAL 51 HA VAL 51 -0.550 -12.599 -3.170 332 HB VAL 51 HB VAL 51 1.474 -11.667 -2.892 333 1HG1 VAL 51 1HG1 VAL 51 0.431 -9.382 -4.633 334 2HG1 VAL 51 2HG1 VAL 51 2.123 -9.755 -4.316 335 3HG1 VAL 51 3HG1 VAL 51 1.129 -10.919 -5.205 336 1HG2 VAL 51 1HG2 VAL 51 0.172 -9.060 -2.021 337 2HG2 VAL 51 2HG2 VAL 51 0.864 -10.347 -0.989 338 3HG2 VAL 51 3HG2 VAL 51 1.921 -9.387 -2.021 339 H SER 52 H SER 52 -2.537 -9.741 -2.642 340 HA SER 52 HA SER 52 -3.408 -8.701 -0.922 341 1HB SER 52 1HB SER 52 -3.609 -11.486 0.260 342 2HB SER 52 2HB SER 52 -4.589 -10.069 0.689 343 HG SER 52 HG SER 52 -5.041 -10.031 -1.707 344 H ALA 53 H ALA 53 -1.424 -7.591 -0.497 345 HA ALA 53 HA ALA 53 -0.214 -8.192 2.172 346 1HB ALA 53 1HB ALA 53 1.290 -7.355 -0.332 347 2HB ALA 53 2HB ALA 53 1.976 -7.397 1.306 348 3HB ALA 53 3HB ALA 53 1.438 -8.896 0.558 349 H ILE 54 H ILE 54 -2.235 -6.137 0.686 350 HA ILE 54 HA ILE 54 -1.003 -3.630 1.670 351 HB ILE 54 HB ILE 54 -3.633 -3.986 0.202 352 1HG1 ILE 54 1HG1 ILE 54 -0.841 -3.608 -0.924 353 2HG1 ILE 54 2HG1 ILE 54 -1.999 -4.888 -1.304 354 1HG2 ILE 54 1HG2 ILE 54 -3.161 -1.903 1.539 355 2HG2 ILE 54 2HG2 ILE 54 -1.746 -1.631 0.524 356 3HG2 ILE 54 3HG2 ILE 54 -3.398 -1.609 -0.174 357 1HD1 ILE 54 1HD1 ILE 54 -3.548 -3.104 -2.222 358 2HD1 ILE 54 2HD1 ILE 54 -2.192 -1.961 -2.097 359 3HD1 ILE 54 3HD1 ILE 54 -2.064 -3.373 -3.146 360 H TYR 55 H TYR 55 -1.129 -4.152 3.940 361 HA TYR 55 HA TYR 55 -3.715 -5.275 4.950 362 1HB TYR 55 1HB TYR 55 -0.953 -5.108 6.177 363 2HB TYR 55 2HB TYR 55 -2.343 -5.809 6.962 364 HD1 TYR 55 HD1 TYR 55 -3.573 -7.516 4.868 365 HD2 TYR 55 HD2 TYR 55 0.590 -6.855 5.829 366 HE1 TYR 55 HE1 TYR 55 -3.002 -9.700 3.912 367 HE2 TYR 55 HE2 TYR 55 1.136 -9.100 4.940 368 HH TYR 55 HH TYR 55 -1.087 -10.806 2.953 369 H HIS 56 H HIS 56 -4.406 -4.425 7.088 370 HA HIS 56 HA HIS 56 -4.466 -1.575 7.034 371 1HB HIS 56 1HB HIS 56 -6.066 -3.313 8.294 372 2HB HIS 56 2HB HIS 56 -4.855 -3.220 9.559 373 HD1 HIS 56 HD1 HIS 56 -5.210 -1.286 11.285 374 HD2 HIS 56 HD2 HIS 56 -7.086 -0.728 7.561 375 HE1 HIS 56 HE1 HIS 56 -6.356 0.988 11.385 376 H GLU 57 H GLU 57 -3.427 0.014 8.338 377 HA GLU 57 HA GLU 57 -0.758 -0.417 8.625 378 1HB GLU 57 1HB GLU 57 -2.551 1.369 10.436 379 2HB GLU 57 2HB GLU 57 -0.839 1.620 10.098 380 1HG GLU 57 1HG GLU 57 -1.292 2.281 7.881 381 2HG GLU 57 2HG GLU 57 -3.042 2.012 8.096 382 H ASP 58 H ASP 58 -3.155 -1.017 11.061 383 HA ASP 58 HA ASP 58 -0.999 -1.641 12.935 384 1HB ASP 58 1HB ASP 58 -3.083 -0.577 13.768 385 2HB ASP 58 2HB ASP 58 -3.922 -2.120 13.474 386 H PHE 59 H PHE 59 -2.599 -3.361 10.433 387 HA PHE 59 HA PHE 59 -2.468 -6.009 11.760 388 1HB PHE 59 1HB PHE 59 -3.061 -5.049 8.941 389 2HB PHE 59 2HB PHE 59 -2.867 -6.718 9.394 390 HD1 PHE 59 HD1 PHE 59 -4.595 -5.066 12.086 391 HD2 PHE 59 HD2 PHE 59 -5.139 -6.700 8.117 392 HE1 PHE 59 HE1 PHE 59 -7.028 -5.109 12.430 393 HE2 PHE 59 HE2 PHE 59 -7.588 -6.728 8.480 394 HZ PHE 59 HZ PHE 59 -8.540 -5.921 10.630 395 H VAL 60 H VAL 60 -0.656 -3.812 9.611 396 HA VAL 60 HA VAL 60 1.408 -5.604 8.931 397 HB VAL 60 HB VAL 60 1.397 -2.593 9.260 398 1HG1 VAL 60 1HG1 VAL 60 3.510 -4.514 8.224 399 2HG1 VAL 60 2HG1 VAL 60 3.501 -2.788 7.821 400 3HG1 VAL 60 3HG1 VAL 60 3.693 -3.293 9.504 401 1HG2 VAL 60 1HG2 VAL 60 1.164 -4.535 6.914 402 2HG2 VAL 60 2HG2 VAL 60 -0.068 -3.401 7.485 403 3HG2 VAL 60 3HG2 VAL 60 1.391 -2.792 6.719 404 HA PRO 61 HA PRO 61 3.153 -6.281 13.052 405 1HB PRO 61 1HB PRO 61 5.529 -7.116 11.381 406 2HB PRO 61 2HB PRO 61 4.818 -7.945 12.792 407 1HG PRO 61 1HG PRO 61 4.304 -8.837 10.282 408 2HG PRO 61 2HG PRO 61 2.968 -8.716 11.470 409 1HD PRO 61 1HD PRO 61 3.685 -6.764 9.271 410 2HD PRO 61 2HD PRO 61 2.094 -7.437 9.751 411 H GLU 62 H GLU 62 4.754 -5.341 14.418 412 HA GLU 62 HA GLU 62 5.558 -2.811 14.315 413 1HB GLU 62 1HB GLU 62 6.430 -5.383 15.634 414 2HB GLU 62 2HB GLU 62 7.199 -3.858 15.954 415 1HG GLU 62 1HG GLU 62 5.281 -4.515 17.540 416 2HG GLU 62 2HG GLU 62 5.255 -2.869 16.894 417 H GLU 63 H GLU 63 7.542 -5.632 13.265 418 HA GLU 63 HA GLU 63 9.927 -4.348 12.560 419 1HB GLU 63 1HB GLU 63 8.510 -6.581 11.059 420 2HB GLU 63 2HB GLU 63 10.215 -6.143 10.948 421 1HG GLU 63 1HG GLU 63 10.362 -7.900 12.398 422 2HG GLU 63 2HG GLU 63 10.219 -6.587 13.570 423 H TRP 64 H TRP 64 6.876 -4.601 10.744 424 HA TRP 64 HA TRP 64 7.968 -3.007 8.483 425 1HB TRP 64 1HB TRP 64 5.637 -4.887 8.787 426 2HB TRP 64 2HB TRP 64 5.875 -3.871 7.360 427 HD1 TRP 64 HD1 TRP 64 9.231 -4.645 7.619 428 HE1 TRP 64 HE1 TRP 64 9.901 -6.713 6.296 429 HE3 TRP 64 HE3 TRP 64 4.616 -6.839 7.089 430 HZ2 TRP 64 HZ2 TRP 64 8.685 -9.165 5.421 431 HZ3 TRP 64 HZ3 TRP 64 4.408 -8.967 5.844 432 HH2 TRP 64 HH2 TRP 64 6.460 -10.049 4.873 433 H LYS 65 H LYS 65 6.269 -2.406 11.338 434 HA LYS 65 HA LYS 65 4.422 -0.402 10.578 435 1HB LYS 65 1HB LYS 65 5.730 -1.275 12.951 436 2HB LYS 65 2HB LYS 65 5.915 0.429 12.861 437 1HG LYS 65 1HG LYS 65 4.022 -0.033 14.150 438 2HG LYS 65 2HG LYS 65 3.381 0.606 12.619 439 1HD LYS 65 1HD LYS 65 2.807 -1.713 11.916 440 2HD LYS 65 2HD LYS 65 3.623 -2.358 13.345 441 1HE LYS 65 1HE LYS 65 1.948 -0.917 14.736 442 2HE LYS 65 2HE LYS 65 1.028 -0.815 13.230 443 1HZ LYS 65 1HZ LYS 65 1.142 -3.347 13.303 444 2HZ LYS 65 2HZ LYS 65 1.787 -3.162 14.827 445 3HZ LYS 65 3HZ LYS 65 0.249 -2.643 14.533 446 H SER 66 H SER 66 7.923 -0.497 10.454 447 HA SER 66 HA SER 66 8.702 2.154 10.037 448 1HB SER 66 1HB SER 66 10.374 0.976 8.462 449 2HB SER 66 2HB SER 66 10.321 0.393 10.136 450 HG SER 66 HG SER 66 9.710 -1.504 9.397 451 H TYR 67 H TYR 67 7.181 -0.172 7.721 452 HA TYR 67 HA TYR 67 7.221 1.678 5.516 453 1HB TYR 67 1HB TYR 67 5.508 -0.774 5.997 454 2HB TYR 67 2HB TYR 67 5.369 0.296 4.607 455 HD1 TYR 67 HD1 TYR 67 7.015 0.379 2.845 456 HD2 TYR 67 HD2 TYR 67 7.527 -2.266 6.206 457 HE1 TYR 67 HE1 TYR 67 8.760 -0.863 1.600 458 HE2 TYR 67 HE2 TYR 67 9.250 -3.530 4.948 459 HH TYR 67 HH TYR 67 10.356 -3.779 2.943 460 H ILE 68 H ILE 68 4.875 1.242 8.279 461 HA ILE 68 HA ILE 68 2.754 2.693 6.972 462 HB ILE 68 HB ILE 68 3.432 1.851 9.812 463 1HG1 ILE 68 1HG1 ILE 68 1.444 0.583 9.679 464 2HG1 ILE 68 2HG1 ILE 68 1.004 1.272 8.114 465 1HG2 ILE 68 1HG2 ILE 68 1.203 3.678 8.949 466 2HG2 ILE 68 2HG2 ILE 68 1.289 2.823 10.511 467 3HG2 ILE 68 3HG2 ILE 68 2.521 4.022 10.105 468 1HD1 ILE 68 1HD1 ILE 68 2.930 0.082 7.066 469 2HD1 ILE 68 2HD1 ILE 68 3.321 -0.603 8.658 470 3HD1 ILE 68 3HD1 ILE 68 1.774 -0.956 7.859 471 H GLN 69 H GLN 69 5.434 3.493 9.206 472 HA GLN 69 HA GLN 69 4.896 6.269 9.244 473 1HB GLN 69 1HB GLN 69 6.468 5.068 10.778 474 2HB GLN 69 2HB GLN 69 7.635 4.945 9.455 475 1HG GLN 69 1HG GLN 69 8.156 6.839 10.931 476 2HG GLN 69 2HG GLN 69 7.756 7.414 9.309 477 1HE2 GLN 69 2HE2 GLN 69 6.088 8.907 9.080 478 2HE2 GLN 69 1HE2 GLN 69 5.112 9.445 10.439 479 H LYS 70 H LYS 70 6.895 4.338 6.951 480 HA LYS 70 HA LYS 70 7.809 6.553 5.427 481 1HB LYS 70 1HB LYS 70 8.691 4.204 5.278 482 2HB LYS 70 2HB LYS 70 7.202 3.721 4.480 483 1HG LYS 70 1HG LYS 70 7.690 4.988 2.557 484 2HG LYS 70 2HG LYS 70 8.975 5.895 3.339 485 1HD LYS 70 1HD LYS 70 10.207 3.639 3.627 486 2HD LYS 70 2HD LYS 70 8.954 2.943 2.576 487 1HE LYS 70 1HE LYS 70 9.582 4.791 0.878 488 2HE LYS 70 2HE LYS 70 10.980 5.141 1.913 489 1HZ LYS 70 1HZ LYS 70 11.672 2.810 1.504 490 2HZ LYS 70 2HZ LYS 70 10.373 2.641 0.481 491 3HZ LYS 70 3HZ LYS 70 11.527 3.708 0.122 492 H ASN 71 H ASN 71 5.024 4.465 4.938 493 HA ASN 71 HA ASN 71 3.940 5.681 2.621 494 1HB ASN 71 1HB ASN 71 2.826 3.992 4.810 495 2HB ASN 71 2HB ASN 71 1.736 4.714 3.665 496 1HD2 ASN 71 2HD2 ASN 71 4.561 2.564 3.863 497 2HD2 ASN 71 1HD2 ASN 71 4.195 1.687 2.382 498 H ARG 72 H ARG 72 3.528 6.561 6.093 499 HA ARG 72 HA ARG 72 1.586 8.604 5.802 500 1HB ARG 72 1HB ARG 72 2.398 7.383 7.828 501 2HB ARG 72 2HB ARG 72 3.844 8.336 7.815 502 1HG ARG 72 1HG ARG 72 2.916 10.089 8.786 503 2HG ARG 72 2HG ARG 72 1.575 10.146 7.629 504 1HD ARG 72 1HD ARG 72 1.828 8.207 9.953 505 2HD ARG 72 2HD ARG 72 0.832 9.674 9.962 506 HE ARG 72 HE ARG 72 -0.248 8.678 7.831 507 1HH1 ARG 72 1HH1 ARG 72 1.034 6.371 10.138 508 2HH1 ARG 72 2HH1 ARG 72 -0.413 5.383 10.138 509 1HH2 ARG 72 1HH2 ARG 72 -2.341 7.690 8.350 510 2HH2 ARG 72 2HH2 ARG 72 -2.340 6.014 8.952 511 H ASP 73 H ASP 73 5.075 8.580 6.161 512 HA ASP 73 HA ASP 73 5.579 11.353 6.169 513 1HB ASP 73 1HB ASP 73 6.987 9.622 7.189 514 2HB ASP 73 2HB ASP 73 7.193 8.820 5.636 515 H PHE 74 H PHE 74 6.011 9.017 3.528 516 HA PHE 74 HA PHE 74 7.356 10.329 1.645 517 1HB PHE 74 1HB PHE 74 5.286 8.325 1.598 518 2HB PHE 74 2HB PHE 74 5.186 9.394 0.207 519 HD1 PHE 74 HD1 PHE 74 8.213 8.136 2.053 520 HD2 PHE 74 HD2 PHE 74 6.018 8.307 -1.658 521 HE1 PHE 74 HE1 PHE 74 10.195 7.288 0.822 522 HE2 PHE 74 HE2 PHE 74 7.963 7.443 -2.857 523 HZ PHE 74 HZ PHE 74 10.046 6.807 -1.606 524 H PHE 75 H PHE 75 3.942 11.056 2.214 525 HA PHE 75 HA PHE 75 4.057 13.235 0.184 526 1HB PHE 75 1HB PHE 75 1.615 12.078 1.407 527 2HB PHE 75 2HB PHE 75 1.783 12.887 -0.135 528 HD1 PHE 75 HD1 PHE 75 3.210 11.682 -1.968 529 HD2 PHE 75 HD2 PHE 75 1.896 9.678 1.619 530 HE1 PHE 75 HE1 PHE 75 3.699 9.481 -3.000 531 HE2 PHE 75 HE2 PHE 75 2.257 7.497 0.547 532 HZ PHE 75 HZ PHE 75 3.179 7.387 -1.761 533 H LYS 76 H LYS 76 4.559 13.067 3.437 534 HA LYS 76 HA LYS 76 3.013 15.553 4.138 535 1HB LYS 76 1HB LYS 76 3.834 13.037 5.627 536 2HB LYS 76 2HB LYS 76 3.664 14.540 6.508 537 1HG LYS 76 1HG LYS 76 1.681 13.052 6.582 538 2HG LYS 76 2HG LYS 76 1.328 14.698 6.032 539 1HD LYS 76 1HD LYS 76 0.978 14.046 3.811 540 2HD LYS 76 2HD LYS 76 1.853 12.527 3.991 541 1HE LYS 76 1HE LYS 76 -0.557 12.683 5.737 542 2HE LYS 76 2HE LYS 76 -0.891 12.826 4.003 543 1HZ LYS 76 1HZ LYS 76 0.590 10.777 3.798 544 2HZ LYS 76 2HZ LYS 76 0.122 10.514 5.427 545 3HZ LYS 76 3HZ LYS 76 -0.922 10.634 4.204 546 H LYS 77 H LYS 77 5.862 13.657 4.906 547 HA LYS 77 HA LYS 77 7.872 13.935 5.315 548 1HB LYS 77 1HB LYS 77 8.037 15.373 3.273 549 2HB LYS 77 2HB LYS 77 7.768 16.787 4.296 550 1HG LYS 77 1HG LYS 77 10.026 16.806 3.913 551 2HG LYS 77 2HG LYS 77 9.915 16.203 5.544 552 1HD LYS 77 1HD LYS 77 10.514 14.672 2.966 553 2HD LYS 77 2HD LYS 77 11.645 15.037 4.266 554 1HE LYS 77 1HE LYS 77 9.398 12.998 4.234 555 2HE LYS 77 2HE LYS 77 11.107 12.694 4.379 556 1HZ LYS 77 1HZ LYS 77 9.594 14.132 6.485 557 2HZ LYS 77 2HZ LYS 77 9.820 12.529 6.458 558 3HZ LYS 77 3HZ LYS 77 11.119 13.539 6.586 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -5.902 2.631 8.206 2 2H ALA 1 2H ALA 1 -5.652 4.099 8.500 3 3H ALA 1 3H ALA 1 -6.984 3.657 7.922 4 HA ALA 1 HA ALA 1 -6.213 3.737 5.689 5 1HB ALA 1 1HB ALA 1 -4.801 5.585 6.476 6 2HB ALA 1 2HB ALA 1 -3.521 4.433 6.930 7 3HB ALA 1 3HB ALA 1 -3.999 4.605 5.226 8 H TYR 2 H TYR 2 -5.406 2.308 4.131 9 HA TYR 2 HA TYR 2 -4.257 -0.234 5.150 10 1HB TYR 2 1HB TYR 2 -5.712 0.566 2.626 11 2HB TYR 2 2HB TYR 2 -4.732 -0.885 2.704 12 HD1 TYR 2 HD1 TYR 2 -7.431 0.807 4.701 13 HD2 TYR 2 HD2 TYR 2 -5.757 -2.918 3.321 14 HE1 TYR 2 HE1 TYR 2 -9.277 -0.415 5.783 15 HE2 TYR 2 HE2 TYR 2 -7.637 -4.141 4.359 16 HH TYR 2 HH TYR 2 -10.315 -2.453 6.006 17 H VAL 3 H VAL 3 -2.246 -0.876 4.625 18 HA VAL 3 HA VAL 3 -0.613 0.874 2.843 19 HB VAL 3 HB VAL 3 0.091 0.050 5.695 20 1HG1 VAL 3 1HG1 VAL 3 1.563 1.541 3.505 21 2HG1 VAL 3 2HG1 VAL 3 2.013 1.702 5.214 22 3HG1 VAL 3 3HG1 VAL 3 2.121 0.132 4.427 23 1HG2 VAL 3 1HG2 VAL 3 -0.597 2.770 4.481 24 2HG2 VAL 3 2HG2 VAL 3 -1.548 1.897 5.702 25 3HG2 VAL 3 3HG2 VAL 3 0.047 2.517 6.116 26 H ILE 4 H ILE 4 1.026 -0.070 1.750 27 HA ILE 4 HA ILE 4 1.013 -2.857 1.193 28 HB ILE 4 HB ILE 4 2.842 -2.256 -0.269 29 1HG1 ILE 4 1HG1 ILE 4 3.386 0.358 -0.330 30 2HG1 ILE 4 2HG1 ILE 4 3.077 0.252 1.398 31 1HG2 ILE 4 1HG2 ILE 4 0.491 -1.611 -0.877 32 2HG2 ILE 4 2HG2 ILE 4 0.877 0.050 -0.390 33 3HG2 ILE 4 3HG2 ILE 4 1.759 -0.726 -1.718 34 1HD1 ILE 4 1HD1 ILE 4 5.105 -1.384 -0.205 35 2HD1 ILE 4 2HD1 ILE 4 5.471 0.015 0.822 36 3HD1 ILE 4 3HD1 ILE 4 4.904 -1.485 1.553 37 H THR 5 H THR 5 2.928 -4.333 1.481 38 HA THR 5 HA THR 5 4.929 -3.450 3.432 39 HB THR 5 HB THR 5 4.664 -5.582 4.744 40 HG1 THR 5 HG1 THR 5 2.147 -5.662 3.412 41 1HG2 THR 5 1HG2 THR 5 3.871 -3.358 5.571 42 2HG2 THR 5 2HG2 THR 5 2.249 -3.756 4.949 43 3HG2 THR 5 3HG2 THR 5 2.990 -4.771 6.200 44 H GLU 6 H GLU 6 6.707 -4.664 3.525 45 HA GLU 6 HA GLU 6 8.433 -5.438 2.048 46 1HB GLU 6 1HB GLU 6 8.400 -5.925 4.267 47 2HB GLU 6 2HB GLU 6 7.432 -7.347 4.114 48 1HG GLU 6 1HG GLU 6 9.271 -8.522 3.209 49 2HG GLU 6 2HG GLU 6 9.965 -7.072 2.519 50 HA PRO 7 HA PRO 7 7.400 -9.384 -0.330 51 1HB PRO 7 1HB PRO 7 4.400 -9.568 -0.177 52 2HB PRO 7 2HB PRO 7 5.601 -10.886 -0.267 53 1HG PRO 7 1HG PRO 7 4.352 -10.188 2.085 54 2HG PRO 7 2HG PRO 7 6.046 -10.754 2.035 55 1HD PRO 7 1HD PRO 7 5.029 -7.971 2.433 56 2HD PRO 7 2HD PRO 7 6.513 -8.794 2.999 57 H CYS 8 H CYS 8 5.215 -6.611 -0.361 58 HA CYS 8 HA CYS 8 4.484 -6.600 -3.107 59 1HB CYS 8 1HB CYS 8 3.378 -5.153 -1.534 60 2HB CYS 8 2HB CYS 8 4.931 -4.523 -0.984 61 H ILE 9 H ILE 9 7.522 -5.730 -1.470 62 HA ILE 9 HA ILE 9 8.328 -3.951 -3.621 63 HB ILE 9 HB ILE 9 9.780 -4.820 -1.107 64 1HG1 ILE 9 1HG1 ILE 9 9.378 -2.152 -0.866 65 2HG1 ILE 9 2HG1 ILE 9 7.994 -2.510 -1.911 66 1HG2 ILE 9 1HG2 ILE 9 10.576 -2.760 -3.202 67 2HG2 ILE 9 2HG2 ILE 9 11.332 -2.957 -1.605 68 3HG2 ILE 9 3HG2 ILE 9 11.464 -4.249 -2.788 69 1HD1 ILE 9 1HD1 ILE 9 8.676 -3.769 0.742 70 2HD1 ILE 9 2HD1 ILE 9 7.430 -2.533 0.474 71 3HD1 ILE 9 3HD1 ILE 9 7.221 -4.147 -0.230 72 H GLY 10 H GLY 10 9.916 -4.270 -5.133 73 1HA GLY 10 1HA GLY 10 11.889 -5.234 -5.930 74 2HA GLY 10 2HA GLY 10 11.519 -6.783 -5.159 75 H THR 11 H THR 11 9.316 -4.746 -7.163 76 HA THR 11 HA THR 11 9.685 -6.216 -9.613 77 HB THR 11 HB THR 11 7.475 -6.926 -7.731 78 HG1 THR 11 HG1 THR 11 9.371 -8.260 -8.254 79 1HG2 THR 11 1HG2 THR 11 7.256 -6.985 -10.761 80 2HG2 THR 11 2HG2 THR 11 6.203 -7.898 -9.657 81 3HG2 THR 11 3HG2 THR 11 6.192 -6.129 -9.612 82 H LYS 12 H LYS 12 9.137 -4.689 -11.180 83 HA LYS 12 HA LYS 12 7.960 -2.199 -10.337 84 1HB LYS 12 1HB LYS 12 9.694 -2.668 -12.240 85 2HB LYS 12 2HB LYS 12 8.263 -2.911 -13.242 86 1HG LYS 12 1HG LYS 12 9.138 -0.423 -11.700 87 2HG LYS 12 2HG LYS 12 9.002 -0.629 -13.441 88 1HD LYS 12 1HD LYS 12 6.497 -0.950 -13.151 89 2HD LYS 12 2HD LYS 12 6.672 -0.501 -11.450 90 1HE LYS 12 1HE LYS 12 7.394 1.279 -13.835 91 2HE LYS 12 2HE LYS 12 5.928 1.378 -12.847 92 1HZ LYS 12 1HZ LYS 12 7.482 1.770 -10.917 93 2HZ LYS 12 2HZ LYS 12 8.671 2.074 -11.983 94 3HZ LYS 12 3HZ LYS 12 7.278 2.966 -11.946 95 H CYS 13 H CYS 13 5.985 -2.716 -9.453 96 HA CYS 13 HA CYS 13 4.169 -4.578 -10.654 97 1HB CYS 13 1HB CYS 13 4.528 -4.010 -8.225 98 2HB CYS 13 2HB CYS 13 3.546 -2.575 -8.551 99 H ALA 14 H ALA 14 1.845 -4.020 -11.029 100 HA ALA 14 HA ALA 14 0.985 -1.382 -11.748 101 1HB ALA 14 1HB ALA 14 1.486 -3.341 -14.037 102 2HB ALA 14 2HB ALA 14 0.517 -1.855 -14.152 103 3HB ALA 14 3HB ALA 14 2.252 -1.753 -13.814 104 H SER 15 H SER 15 -0.253 -2.470 -9.929 105 HA SER 15 HA SER 15 -2.650 -3.789 -11.090 106 1HB SER 15 1HB SER 15 -1.162 -4.958 -8.719 107 2HB SER 15 2HB SER 15 -2.699 -5.523 -9.383 108 HG SER 15 HG SER 15 -1.096 -5.387 -11.436 109 H CYS 16 H CYS 16 -1.338 -2.681 -7.873 110 HA CYS 16 HA CYS 16 -3.951 -1.575 -7.204 111 1HB CYS 16 1HB CYS 16 -2.897 -0.707 -5.232 112 2HB CYS 16 2HB CYS 16 -2.679 -2.447 -5.414 113 H VAL 17 H VAL 17 -4.119 -0.508 -9.303 114 HA VAL 17 HA VAL 17 -3.326 2.332 -9.124 115 HB VAL 17 HB VAL 17 -2.827 2.376 -11.543 116 1HG1 VAL 17 1HG1 VAL 17 -1.031 2.198 -9.786 117 2HG1 VAL 17 2HG1 VAL 17 -0.914 0.463 -10.168 118 3HG1 VAL 17 3HG1 VAL 17 -0.569 1.677 -11.418 119 1HG2 VAL 17 1HG2 VAL 17 -3.941 0.304 -12.314 120 2HG2 VAL 17 2HG2 VAL 17 -2.238 0.336 -12.777 121 3HG2 VAL 17 3HG2 VAL 17 -2.759 -0.674 -11.420 122 H GLU 18 H GLU 18 -4.832 3.705 -10.300 123 HA GLU 18 HA GLU 18 -6.723 4.413 -11.077 124 1HB GLU 18 1HB GLU 18 -5.565 3.077 -12.896 125 2HB GLU 18 2HB GLU 18 -6.787 1.824 -12.635 126 1HG GLU 18 1HG GLU 18 -8.514 3.543 -13.096 127 2HG GLU 18 2HG GLU 18 -7.258 4.728 -13.463 128 H VAL 19 H VAL 19 -7.037 1.619 -9.166 129 HA VAL 19 HA VAL 19 -9.926 1.334 -9.507 130 HB VAL 19 HB VAL 19 -8.313 -0.554 -9.430 131 1HG1 VAL 19 1HG1 VAL 19 -6.770 0.265 -7.657 132 2HG1 VAL 19 2HG1 VAL 19 -8.056 0.060 -6.450 133 3HG1 VAL 19 3HG1 VAL 19 -7.405 -1.345 -7.310 134 1HG2 VAL 19 1HG2 VAL 19 -10.708 -0.878 -8.972 135 2HG2 VAL 19 2HG2 VAL 19 -9.691 -2.019 -8.073 136 3HG2 VAL 19 3HG2 VAL 19 -10.414 -0.631 -7.241 137 H CYS 20 H CYS 20 -7.726 2.948 -7.333 138 HA CYS 20 HA CYS 20 -9.222 2.697 -4.999 139 1HB CYS 20 1HB CYS 20 -6.871 3.213 -4.966 140 2HB CYS 20 2HB CYS 20 -7.238 4.661 -5.890 141 HA PRO 21 HA PRO 21 -12.834 5.168 -5.800 142 1HB PRO 21 1HB PRO 21 -12.310 5.981 -2.919 143 2HB PRO 21 2HB PRO 21 -13.880 5.618 -3.697 144 1HG PRO 21 1HG PRO 21 -12.610 3.699 -2.257 145 2HG PRO 21 2HG PRO 21 -13.335 3.287 -3.840 146 1HD PRO 21 1HD PRO 21 -10.408 3.777 -3.226 147 2HD PRO 21 2HD PRO 21 -11.197 2.594 -4.321 148 H VAL 22 H VAL 22 -10.177 6.889 -4.096 149 HA VAL 22 HA VAL 22 -10.967 9.426 -5.492 150 HB VAL 22 HB VAL 22 -9.936 10.546 -3.449 151 1HG1 VAL 22 1HG1 VAL 22 -12.340 10.540 -3.916 152 2HG1 VAL 22 2HG1 VAL 22 -12.519 8.993 -3.059 153 3HG1 VAL 22 3HG1 VAL 22 -12.009 10.451 -2.177 154 1HG2 VAL 22 1HG2 VAL 22 -8.849 8.481 -2.495 155 2HG2 VAL 22 2HG2 VAL 22 -9.881 9.359 -1.351 156 3HG2 VAL 22 3HG2 VAL 22 -10.467 7.864 -2.091 157 H ASP 23 H ASP 23 -8.840 7.063 -5.849 158 HA ASP 23 HA ASP 23 -6.784 6.802 -6.533 159 1HB ASP 23 1HB ASP 23 -7.364 8.686 -8.117 160 2HB ASP 23 2HB ASP 23 -6.497 9.784 -7.028 161 H CYS 24 H CYS 24 -4.534 7.051 -5.937 162 HA CYS 24 HA CYS 24 -3.652 8.357 -3.526 163 1HB CYS 24 1HB CYS 24 -4.643 5.480 -3.228 164 2HB CYS 24 2HB CYS 24 -3.380 6.153 -2.175 165 HG CYS 24 HG CYS 24 -6.390 7.362 -2.553 166 H ILE 25 H ILE 25 -2.766 5.082 -3.789 167 HA ILE 25 HA ILE 25 -0.548 4.373 -4.190 168 HB ILE 25 HB ILE 25 -1.031 3.168 -6.431 169 1HG1 ILE 25 1HG1 ILE 25 -3.464 3.004 -6.919 170 2HG1 ILE 25 2HG1 ILE 25 -3.798 4.409 -5.928 171 1HG2 ILE 25 1HG2 ILE 25 -1.287 2.214 -4.174 172 2HG2 ILE 25 2HG2 ILE 25 -2.895 2.970 -4.034 173 3HG2 ILE 25 3HG2 ILE 25 -2.617 1.689 -5.206 174 1HD1 ILE 25 1HD1 ILE 25 -2.016 4.408 -8.407 175 2HD1 ILE 25 2HD1 ILE 25 -3.730 4.868 -8.375 176 3HD1 ILE 25 3HD1 ILE 25 -2.553 5.836 -7.481 177 H HIS 26 H HIS 26 1.017 5.870 -4.106 178 HA HIS 26 HA HIS 26 1.916 7.080 -6.702 179 1HB HIS 26 1HB HIS 26 2.570 7.510 -3.744 180 2HB HIS 26 2HB HIS 26 3.596 8.092 -5.063 181 HD1 HIS 26 HD1 HIS 26 2.467 9.815 -6.884 182 HD2 HIS 26 HD2 HIS 26 0.440 9.112 -3.283 183 HE1 HIS 26 HE1 HIS 26 0.799 11.729 -6.610 184 H GLU 27 H GLU 27 3.869 6.538 -7.685 185 HA GLU 27 HA GLU 27 5.068 4.018 -6.805 186 1HB GLU 27 1HB GLU 27 5.664 5.911 -9.066 187 2HB GLU 27 2HB GLU 27 6.749 4.575 -8.689 188 1HG GLU 27 1HG GLU 27 5.122 2.904 -9.004 189 2HG GLU 27 2HG GLU 27 3.840 4.106 -9.034 190 H GLY 28 H GLY 28 6.740 3.712 -5.584 191 1HA GLY 28 1HA GLY 28 8.505 5.906 -4.601 192 2HA GLY 28 2HA GLY 28 8.703 4.153 -4.311 193 H GLU 29 H GLU 29 8.513 3.026 -6.583 194 HA GLU 29 HA GLU 29 9.301 4.091 -8.982 195 1HB GLU 29 1HB GLU 29 11.639 4.133 -7.900 196 2HB GLU 29 2HB GLU 29 11.611 2.370 -7.955 197 1HG GLU 29 1HG GLU 29 11.346 4.302 -10.307 198 2HG GLU 29 2HG GLU 29 12.751 3.307 -9.913 199 H ASP 30 H ASP 30 10.237 0.950 -7.410 200 HA ASP 30 HA ASP 30 8.937 -0.483 -9.465 201 1HB ASP 30 1HB ASP 30 9.727 -2.425 -8.359 202 2HB ASP 30 2HB ASP 30 10.969 -1.193 -8.146 203 H GLN 31 H GLN 31 7.979 0.548 -6.272 204 HA GLN 31 HA GLN 31 5.445 -1.023 -6.375 205 1HB GLN 31 1HB GLN 31 5.612 -1.178 -3.935 206 2HB GLN 31 2HB GLN 31 6.939 -1.972 -4.763 207 1HG GLN 31 1HG GLN 31 8.422 -0.836 -3.600 208 2HG GLN 31 2HG GLN 31 7.872 0.699 -4.239 209 1HE2 GLN 31 2HE2 GLN 31 5.199 0.552 -2.854 210 2HE2 GLN 31 1HE2 GLN 31 5.587 0.876 -1.192 211 H TYR 32 H TYR 32 3.615 -0.082 -5.659 212 HA TYR 32 HA TYR 32 3.492 2.814 -5.628 213 1HB TYR 32 1HB TYR 32 1.385 0.674 -5.374 214 2HB TYR 32 2HB TYR 32 1.042 2.397 -5.338 215 HD1 TYR 32 HD1 TYR 32 1.395 3.821 -7.326 216 HD2 TYR 32 HD2 TYR 32 2.086 -0.412 -7.524 217 HE1 TYR 32 HE1 TYR 32 1.502 3.956 -9.791 218 HE2 TYR 32 HE2 TYR 32 2.418 -0.237 -9.958 219 HH TYR 32 HH TYR 32 2.836 2.790 -11.504 220 H TYR 33 H TYR 33 2.712 4.023 -3.913 221 HA TYR 33 HA TYR 33 2.992 3.044 -1.113 222 1HB TYR 33 1HB TYR 33 3.953 5.488 -2.641 223 2HB TYR 33 2HB TYR 33 3.385 5.761 -1.048 224 HD1 TYR 33 HD1 TYR 33 4.558 4.731 0.881 225 HD2 TYR 33 HD2 TYR 33 5.962 4.126 -3.128 226 HE1 TYR 33 HE1 TYR 33 6.498 3.438 1.763 227 HE2 TYR 33 HE2 TYR 33 7.985 2.990 -2.252 228 HH TYR 33 HH TYR 33 8.553 1.611 -0.322 229 H ILE 34 H ILE 34 0.966 3.006 -0.211 230 HA ILE 34 HA ILE 34 -1.163 4.493 -1.492 231 HB ILE 34 HB ILE 34 -1.052 2.451 0.750 232 1HG1 ILE 34 1HG1 ILE 34 -2.559 2.318 -1.914 233 2HG1 ILE 34 2HG1 ILE 34 -0.905 1.738 -1.729 234 1HG2 ILE 34 1HG2 ILE 34 -3.379 4.161 -0.167 235 2HG2 ILE 34 2HG2 ILE 34 -3.608 2.621 0.699 236 3HG2 ILE 34 3HG2 ILE 34 -2.768 3.950 1.481 237 1HD1 ILE 34 1HD1 ILE 34 -1.771 0.269 0.188 238 2HD1 ILE 34 2HD1 ILE 34 -3.402 0.665 -0.403 239 3HD1 ILE 34 3HD1 ILE 34 -2.249 -0.152 -1.469 240 H ASP 35 H ASP 35 -1.404 6.613 -0.942 241 HA ASP 35 HA ASP 35 -0.427 8.089 1.074 242 1HB ASP 35 1HB ASP 35 -3.147 8.278 -0.235 243 2HB ASP 35 2HB ASP 35 -2.256 9.607 0.538 244 HA PRO 36 HA PRO 36 -3.030 6.365 4.423 245 1HB PRO 36 1HB PRO 36 -1.704 7.559 6.557 246 2HB PRO 36 2HB PRO 36 -1.310 5.983 5.813 247 1HG PRO 36 1HG PRO 36 0.116 8.594 5.511 248 2HG PRO 36 2HG PRO 36 0.756 6.931 5.348 249 1HD PRO 36 1HD PRO 36 -0.016 8.721 3.269 250 2HD PRO 36 2HD PRO 36 0.414 6.995 3.081 251 H ASP 37 H ASP 37 -2.100 9.707 3.740 252 HA ASP 37 HA ASP 37 -3.998 11.019 5.416 253 1HB ASP 37 1HB ASP 37 -2.591 11.821 2.844 254 2HB ASP 37 2HB ASP 37 -3.562 12.908 3.842 255 H VAL 38 H VAL 38 -4.037 9.738 2.082 256 HA VAL 38 HA VAL 38 -6.652 10.960 1.624 257 HB VAL 38 HB VAL 38 -4.909 9.466 -0.334 258 1HG1 VAL 38 1HG1 VAL 38 -7.279 11.327 -0.752 259 2HG1 VAL 38 2HG1 VAL 38 -6.245 10.661 -2.034 260 3HG1 VAL 38 3HG1 VAL 38 -7.245 9.579 -1.067 261 1HG2 VAL 38 1HG2 VAL 38 -5.113 12.443 0.243 262 2HG2 VAL 38 2HG2 VAL 38 -3.674 11.419 0.437 263 3HG2 VAL 38 3HG2 VAL 38 -4.315 11.727 -1.177 264 H CYS 39 H CYS 39 -5.254 7.638 1.911 265 HA CYS 39 HA CYS 39 -7.441 6.266 0.832 266 1HB CYS 39 1HB CYS 39 -5.347 5.155 1.289 267 2HB CYS 39 2HB CYS 39 -5.551 5.453 3.018 268 H ILE 40 H ILE 40 -9.489 6.130 1.429 269 HA ILE 40 HA ILE 40 -10.365 7.000 4.109 270 HB ILE 40 HB ILE 40 -12.609 6.933 3.079 271 1HG1 ILE 40 1HG1 ILE 40 -11.218 6.347 0.416 272 2HG1 ILE 40 2HG1 ILE 40 -11.998 5.091 1.384 273 1HG2 ILE 40 1HG2 ILE 40 -11.165 8.964 3.033 274 2HG2 ILE 40 2HG2 ILE 40 -10.620 8.510 1.407 275 3HG2 ILE 40 3HG2 ILE 40 -12.324 8.894 1.700 276 1HD1 ILE 40 1HD1 ILE 40 -14.123 6.496 1.309 277 2HD1 ILE 40 2HD1 ILE 40 -13.310 7.486 0.070 278 3HD1 ILE 40 3HD1 ILE 40 -13.595 5.758 -0.216 279 H ASP 41 H ASP 41 -8.950 4.511 4.047 280 HA ASP 41 HA ASP 41 -9.090 2.305 4.584 281 1HB ASP 41 1HB ASP 41 -10.901 3.724 6.546 282 2HB ASP 41 2HB ASP 41 -10.633 1.981 6.677 283 H CYS 42 H CYS 42 -10.059 2.103 2.392 284 HA CYS 42 HA CYS 42 -12.628 0.587 2.556 285 1HB CYS 42 1HB CYS 42 -13.215 1.275 0.564 286 2HB CYS 42 2HB CYS 42 -12.232 2.669 0.960 287 H GLY 43 H GLY 43 -12.182 -0.909 0.226 288 1HA GLY 43 1HA GLY 43 -9.799 -2.632 0.877 289 2HA GLY 43 2HA GLY 43 -11.312 -3.247 0.191 290 H ALA 44 H ALA 44 -11.307 -3.408 -1.964 291 HA ALA 44 HA ALA 44 -11.087 -3.058 -4.140 292 1HB ALA 44 1HB ALA 44 -10.480 -0.177 -3.390 293 2HB ALA 44 2HB ALA 44 -10.817 -0.774 -5.016 294 3HB ALA 44 3HB ALA 44 -12.058 -0.892 -3.759 295 H CYS 45 H CYS 45 -8.325 -1.136 -2.831 296 HA CYS 45 HA CYS 45 -6.499 -2.129 -4.863 297 1HB CYS 45 1HB CYS 45 -4.786 -1.139 -3.525 298 2HB CYS 45 2HB CYS 45 -6.087 -0.002 -3.839 299 H GLU 46 H GLU 46 -7.118 -2.886 -1.414 300 HA GLU 46 HA GLU 46 -5.523 -5.268 -1.361 301 1HB GLU 46 1HB GLU 46 -6.737 -3.958 0.603 302 2HB GLU 46 2HB GLU 46 -8.099 -5.016 0.210 303 1HG GLU 46 1HG GLU 46 -5.381 -5.679 1.353 304 2HG GLU 46 2HG GLU 46 -6.975 -6.110 1.962 305 H ALA 47 H ALA 47 -6.150 -7.371 -1.914 306 HA ALA 47 HA ALA 47 -7.103 -9.047 -2.997 307 1HB ALA 47 1HB ALA 47 -9.240 -8.303 -1.988 308 2HB ALA 47 2HB ALA 47 -9.619 -7.436 -3.504 309 3HB ALA 47 3HB ALA 47 -9.404 -9.193 -3.522 310 H VAL 48 H VAL 48 -6.786 -5.886 -4.478 311 HA VAL 48 HA VAL 48 -6.684 -7.116 -7.186 312 HB VAL 48 HB VAL 48 -6.568 -4.288 -6.165 313 1HG1 VAL 48 1HG1 VAL 48 -5.575 -5.193 -8.884 314 2HG1 VAL 48 2HG1 VAL 48 -5.930 -3.520 -8.396 315 3HG1 VAL 48 3HG1 VAL 48 -4.619 -4.397 -7.606 316 1HG2 VAL 48 1HG2 VAL 48 -8.447 -5.979 -7.680 317 2HG2 VAL 48 2HG2 VAL 48 -8.697 -4.391 -6.979 318 3HG2 VAL 48 3HG2 VAL 48 -8.015 -4.527 -8.586 319 H CYS 49 H CYS 49 -4.517 -6.060 -4.531 320 HA CYS 49 HA CYS 49 -2.122 -6.681 -5.995 321 1HB CYS 49 1HB CYS 49 -2.278 -5.535 -3.688 322 2HB CYS 49 2HB CYS 49 -2.494 -7.178 -3.046 323 HA PRO 50 HA PRO 50 -3.492 -11.002 -6.267 324 1HB PRO 50 1HB PRO 50 -1.599 -12.059 -7.926 325 2HB PRO 50 2HB PRO 50 -2.770 -10.831 -8.471 326 1HG PRO 50 1HG PRO 50 0.073 -10.363 -7.517 327 2HG PRO 50 2HG PRO 50 -0.674 -9.789 -9.038 328 1HD PRO 50 1HD PRO 50 -0.539 -8.213 -6.809 329 2HD PRO 50 2HD PRO 50 -1.950 -8.160 -7.904 330 H VAL 51 H VAL 51 -1.805 -10.091 -4.018 331 HA VAL 51 HA VAL 51 -0.557 -12.581 -3.099 332 HB VAL 51 HB VAL 51 1.520 -11.789 -3.010 333 1HG1 VAL 51 1HG1 VAL 51 0.479 -10.014 -5.150 334 2HG1 VAL 51 2HG1 VAL 51 1.756 -9.279 -4.247 335 3HG1 VAL 51 3HG1 VAL 51 2.016 -10.862 -4.975 336 1HG2 VAL 51 1HG2 VAL 51 1.108 -10.443 -1.040 337 2HG2 VAL 51 2HG2 VAL 51 2.234 -9.636 -2.114 338 3HG2 VAL 51 3HG2 VAL 51 0.534 -9.094 -2.079 339 H SER 52 H SER 52 -2.354 -9.568 -2.577 340 HA SER 52 HA SER 52 -3.041 -8.446 -0.824 341 1HB SER 52 1HB SER 52 -3.436 -11.270 0.244 342 2HB SER 52 2HB SER 52 -4.065 -9.807 1.031 343 HG SER 52 HG SER 52 -5.207 -9.279 -0.757 344 H ALA 53 H ALA 53 -0.686 -7.817 -0.868 345 HA ALA 53 HA ALA 53 0.661 -8.270 1.759 346 1HB ALA 53 1HB ALA 53 1.499 -6.728 -0.731 347 2HB ALA 53 2HB ALA 53 2.452 -6.869 0.763 348 3HB ALA 53 3HB ALA 53 2.116 -8.311 -0.194 349 H ILE 54 H ILE 54 -1.767 -6.321 0.454 350 HA ILE 54 HA ILE 54 -1.049 -3.858 1.883 351 HB ILE 54 HB ILE 54 -3.546 -4.641 0.328 352 1HG1 ILE 54 1HG1 ILE 54 -1.191 -2.921 -0.533 353 2HG1 ILE 54 2HG1 ILE 54 -1.440 -4.580 -1.080 354 1HG2 ILE 54 1HG2 ILE 54 -3.766 -2.815 2.074 355 2HG2 ILE 54 2HG2 ILE 54 -2.542 -1.887 1.195 356 3HG2 ILE 54 3HG2 ILE 54 -4.104 -2.269 0.435 357 1HD1 ILE 54 1HD1 ILE 54 -3.564 -3.973 -2.127 358 2HD1 ILE 54 2HD1 ILE 54 -3.325 -2.273 -1.662 359 3HD1 ILE 54 3HD1 ILE 54 -2.200 -3.049 -2.781 360 H TYR 55 H TYR 55 -1.604 -3.678 4.077 361 HA TYR 55 HA TYR 55 -3.966 -5.199 5.068 362 1HB TYR 55 1HB TYR 55 -1.189 -4.946 6.250 363 2HB TYR 55 2HB TYR 55 -2.565 -5.488 7.168 364 HD1 TYR 55 HD1 TYR 55 -3.926 -7.506 5.818 365 HD2 TYR 55 HD2 TYR 55 0.275 -6.588 5.438 366 HE1 TYR 55 HE1 TYR 55 -3.515 -9.749 4.851 367 HE2 TYR 55 HE2 TYR 55 0.680 -8.847 4.518 368 HH TYR 55 HH TYR 55 -1.239 -10.550 3.089 369 H HIS 56 H HIS 56 -4.604 -4.210 7.235 370 HA HIS 56 HA HIS 56 -4.626 -1.330 6.992 371 1HB HIS 56 1HB HIS 56 -6.325 -2.875 8.304 372 2HB HIS 56 2HB HIS 56 -5.108 -2.851 9.565 373 HD1 HIS 56 HD1 HIS 56 -5.946 -1.188 11.356 374 HD2 HIS 56 HD2 HIS 56 -6.443 0.123 7.397 375 HE1 HIS 56 HE1 HIS 56 -6.631 1.263 11.485 376 H GLU 57 H GLU 57 -3.326 0.207 8.079 377 HA GLU 57 HA GLU 57 -0.756 -0.498 8.632 378 1HB GLU 57 1HB GLU 57 -0.655 1.769 9.689 379 2HB GLU 57 2HB GLU 57 -1.610 1.800 8.184 380 1HG GLU 57 1HG GLU 57 -3.617 1.414 9.746 381 2HG GLU 57 2HG GLU 57 -2.469 1.819 11.049 382 H ASP 58 H ASP 58 -3.358 -0.387 10.908 383 HA ASP 58 HA ASP 58 -1.800 -0.968 13.217 384 1HB ASP 58 1HB ASP 58 -4.154 -0.198 13.346 385 2HB ASP 58 2HB ASP 58 -4.663 -1.758 12.643 386 H PHE 59 H PHE 59 -2.951 -3.024 10.612 387 HA PHE 59 HA PHE 59 -2.838 -5.495 12.226 388 1HB PHE 59 1HB PHE 59 -3.405 -4.906 9.293 389 2HB PHE 59 2HB PHE 59 -3.387 -6.486 10.021 390 HD1 PHE 59 HD1 PHE 59 -4.889 -4.477 12.528 391 HD2 PHE 59 HD2 PHE 59 -5.665 -6.212 8.635 392 HE1 PHE 59 HE1 PHE 59 -7.287 -4.167 12.865 393 HE2 PHE 59 HE2 PHE 59 -8.093 -5.883 8.993 394 HZ PHE 59 HZ PHE 59 -8.913 -4.849 11.101 395 H VAL 60 H VAL 60 -0.933 -3.699 9.843 396 HA VAL 60 HA VAL 60 0.887 -5.702 9.130 397 HB VAL 60 HB VAL 60 1.200 -2.690 9.408 398 1HG1 VAL 60 1HG1 VAL 60 3.188 -4.790 8.477 399 2HG1 VAL 60 2HG1 VAL 60 3.287 -3.087 7.993 400 3HG1 VAL 60 3HG1 VAL 60 3.424 -3.520 9.699 401 1HG2 VAL 60 1HG2 VAL 60 0.856 -4.682 7.120 402 2HG2 VAL 60 2HG2 VAL 60 -0.330 -3.484 7.682 403 3HG2 VAL 60 3HG2 VAL 60 1.140 -2.963 6.874 404 HA PRO 61 HA PRO 61 2.674 -6.664 13.159 405 1HB PRO 61 1HB PRO 61 4.969 -7.572 11.407 406 2HB PRO 61 2HB PRO 61 4.250 -8.404 12.812 407 1HG PRO 61 1HG PRO 61 3.602 -9.185 10.292 408 2HG PRO 61 2HG PRO 61 2.316 -9.023 11.529 409 1HD PRO 61 1HD PRO 61 3.051 -7.073 9.341 410 2HD PRO 61 2HD PRO 61 1.442 -7.629 9.902 411 H GLU 62 H GLU 62 4.180 -5.627 14.577 412 HA GLU 62 HA GLU 62 5.094 -3.149 14.320 413 1HB GLU 62 1HB GLU 62 5.806 -5.695 15.832 414 2HB GLU 62 2HB GLU 62 6.693 -4.233 16.102 415 1HG GLU 62 1HG GLU 62 4.805 -4.599 17.722 416 2HG GLU 62 2HG GLU 62 4.784 -3.031 16.905 417 H GLU 63 H GLU 63 7.006 -6.121 13.564 418 HA GLU 63 HA GLU 63 9.479 -5.015 12.918 419 1HB GLU 63 1HB GLU 63 8.029 -7.212 11.397 420 2HB GLU 63 2HB GLU 63 9.765 -6.909 11.444 421 1HG GLU 63 1HG GLU 63 9.687 -8.568 12.989 422 2HG GLU 63 2HG GLU 63 9.383 -7.231 14.100 423 H TRP 64 H TRP 64 6.524 -5.184 10.971 424 HA TRP 64 HA TRP 64 7.776 -3.778 8.676 425 1HB TRP 64 1HB TRP 64 5.310 -5.482 9.023 426 2HB TRP 64 2HB TRP 64 5.637 -4.555 7.558 427 HD1 TRP 64 HD1 TRP 64 8.948 -5.639 8.194 428 HE1 TRP 64 HE1 TRP 64 9.526 -7.726 6.810 429 HE3 TRP 64 HE3 TRP 64 4.208 -7.276 7.062 430 HZ2 TRP 64 HZ2 TRP 64 8.187 -9.838 5.520 431 HZ3 TRP 64 HZ3 TRP 64 3.919 -9.258 5.606 432 HH2 TRP 64 HH2 TRP 64 5.939 -10.451 4.711 433 H LYS 65 H LYS 65 5.950 -2.897 11.488 434 HA LYS 65 HA LYS 65 4.378 -0.860 10.304 435 1HB LYS 65 1HB LYS 65 5.513 -1.458 13.041 436 2HB LYS 65 2HB LYS 65 4.821 0.060 12.707 437 1HG LYS 65 1HG LYS 65 2.727 -1.154 11.808 438 2HG LYS 65 2HG LYS 65 3.441 -2.617 12.502 439 1HD LYS 65 1HD LYS 65 3.356 -1.603 14.764 440 2HD LYS 65 2HD LYS 65 2.897 -0.051 14.065 441 1HE LYS 65 1HE LYS 65 0.920 -1.006 15.009 442 2HE LYS 65 2HE LYS 65 0.750 -1.030 13.250 443 1HZ LYS 65 1HZ LYS 65 1.408 -3.399 13.370 444 2HZ LYS 65 2HZ LYS 65 1.432 -3.289 15.018 445 3HZ LYS 65 3HZ LYS 65 0.016 -3.093 14.164 446 H SER 66 H SER 66 7.799 -1.307 10.540 447 HA SER 66 HA SER 66 8.811 1.322 10.368 448 1HB SER 66 1HB SER 66 10.526 0.092 8.886 449 2HB SER 66 2HB SER 66 10.289 -0.563 10.520 450 HG SER 66 HG SER 66 9.644 -2.370 9.623 451 H TYR 67 H TYR 67 7.238 -0.812 7.899 452 HA TYR 67 HA TYR 67 7.575 1.088 5.750 453 1HB TYR 67 1HB TYR 67 5.601 -1.190 6.039 454 2HB TYR 67 2HB TYR 67 5.775 -0.144 4.633 455 HD1 TYR 67 HD1 TYR 67 7.843 -0.203 3.239 456 HD2 TYR 67 HD2 TYR 67 7.263 -2.955 6.502 457 HE1 TYR 67 HE1 TYR 67 9.720 -1.596 2.409 458 HE2 TYR 67 HE2 TYR 67 9.197 -4.288 5.724 459 HH TYR 67 HH TYR 67 10.749 -4.629 4.010 460 H ILE 68 H ILE 68 5.095 0.748 8.354 461 HA ILE 68 HA ILE 68 3.149 2.431 7.049 462 HB ILE 68 HB ILE 68 3.634 1.348 9.836 463 1HG1 ILE 68 1HG1 ILE 68 1.640 0.189 9.543 464 2HG1 ILE 68 2HG1 ILE 68 1.161 1.138 8.129 465 1HG2 ILE 68 1HG2 ILE 68 1.588 3.419 9.086 466 2HG2 ILE 68 2HG2 ILE 68 1.577 2.439 10.575 467 3HG2 ILE 68 3HG2 ILE 68 2.907 3.568 10.280 468 1HD1 ILE 68 1HD1 ILE 68 3.462 -0.838 8.194 469 2HD1 ILE 68 2HD1 ILE 68 1.832 -1.106 7.548 470 3HD1 ILE 68 3HD1 ILE 68 2.888 0.053 6.764 471 H GLN 69 H GLN 69 5.808 2.857 9.394 472 HA GLN 69 HA GLN 69 5.631 5.666 9.624 473 1HB GLN 69 1HB GLN 69 6.976 4.066 11.010 474 2HB GLN 69 2HB GLN 69 8.190 4.005 9.733 475 1HG GLN 69 1HG GLN 69 7.301 6.633 10.998 476 2HG GLN 69 2HG GLN 69 8.518 5.596 11.740 477 1HE2 GLN 69 2HE2 GLN 69 8.015 8.009 9.296 478 2HE2 GLN 69 1HE2 GLN 69 9.671 7.996 8.724 479 H LYS 70 H LYS 70 7.479 3.666 7.246 480 HA LYS 70 HA LYS 70 8.611 5.845 5.894 481 1HB LYS 70 1HB LYS 70 9.319 3.438 5.551 482 2HB LYS 70 2HB LYS 70 7.784 3.162 4.752 483 1HG LYS 70 1HG LYS 70 9.290 3.342 2.999 484 2HG LYS 70 2HG LYS 70 8.421 4.838 2.998 485 1HD LYS 70 1HD LYS 70 11.199 4.389 4.204 486 2HD LYS 70 2HD LYS 70 10.917 4.929 2.559 487 1HE LYS 70 1HE LYS 70 10.475 6.502 5.120 488 2HE LYS 70 2HE LYS 70 11.546 6.839 3.785 489 1HZ LYS 70 1HZ LYS 70 9.599 7.272 2.389 490 2HZ LYS 70 2HZ LYS 70 8.599 7.064 3.696 491 3HZ LYS 70 3HZ LYS 70 9.711 8.257 3.691 492 H ASN 71 H ASN 71 5.676 4.035 5.193 493 HA ASN 71 HA ASN 71 4.706 5.536 2.991 494 1HB ASN 71 1HB ASN 71 3.367 3.874 5.072 495 2HB ASN 71 2HB ASN 71 2.384 4.884 4.023 496 1HD2 ASN 71 2HD2 ASN 71 4.845 2.283 3.967 497 2HD2 ASN 71 1HD2 ASN 71 4.376 1.654 2.390 498 H ARG 72 H ARG 72 4.512 6.239 6.499 499 HA ARG 72 HA ARG 72 2.653 8.407 6.201 500 1HB ARG 72 1HB ARG 72 3.643 7.035 8.349 501 2HB ARG 72 2HB ARG 72 4.748 8.370 8.372 502 1HG ARG 72 1HG ARG 72 3.189 9.568 9.488 503 2HG ARG 72 2HG ARG 72 2.172 9.559 8.037 504 1HD ARG 72 1HD ARG 72 2.162 7.546 10.307 505 2HD ARG 72 2HD ARG 72 0.883 8.699 9.863 506 HE ARG 72 HE ARG 72 1.534 6.947 7.660 507 1HH1 ARG 72 1HH1 ARG 72 -0.253 6.980 10.767 508 2HH1 ARG 72 2HH1 ARG 72 -1.188 5.554 10.285 509 1HH2 ARG 72 1HH2 ARG 72 0.186 5.044 7.176 510 2HH2 ARG 72 2HH2 ARG 72 -0.963 4.575 8.438 511 H ASP 73 H ASP 73 6.162 8.153 6.602 512 HA ASP 73 HA ASP 73 6.959 10.782 6.571 513 1HB ASP 73 1HB ASP 73 8.318 8.972 7.245 514 2HB ASP 73 2HB ASP 73 8.225 8.165 5.700 515 H PHE 74 H PHE 74 6.527 8.629 3.769 516 HA PHE 74 HA PHE 74 7.372 10.230 1.632 517 1HB PHE 74 1HB PHE 74 5.223 8.228 1.895 518 2HB PHE 74 2HB PHE 74 5.179 9.317 0.524 519 HD1 PHE 74 HD1 PHE 74 7.019 6.493 1.970 520 HD2 PHE 74 HD2 PHE 74 6.619 9.138 -1.359 521 HE1 PHE 74 HE1 PHE 74 8.905 5.313 0.823 522 HE2 PHE 74 HE2 PHE 74 8.238 7.758 -2.623 523 HZ PHE 74 HZ PHE 74 9.469 5.906 -1.467 524 H PHE 75 H PHE 75 4.298 10.574 3.461 525 HA PHE 75 HA PHE 75 3.635 12.990 1.821 526 1HB PHE 75 1HB PHE 75 1.822 11.279 3.458 527 2HB PHE 75 2HB PHE 75 1.359 12.566 2.358 528 HD1 PHE 75 HD1 PHE 75 1.835 12.285 -0.157 529 HD2 PHE 75 HD2 PHE 75 2.201 9.062 2.660 530 HE1 PHE 75 HE1 PHE 75 1.826 10.667 -2.009 531 HE2 PHE 75 HE2 PHE 75 2.258 7.423 0.791 532 HZ PHE 75 HZ PHE 75 2.001 8.223 -1.547 533 H LYS 76 H LYS 76 5.464 12.668 4.292 534 HA LYS 76 HA LYS 76 4.418 15.108 5.626 535 1HB LYS 76 1HB LYS 76 5.329 12.515 6.969 536 2HB LYS 76 2HB LYS 76 5.701 14.089 7.665 537 1HG LYS 76 1HG LYS 76 3.742 13.623 8.753 538 2HG LYS 76 2HG LYS 76 3.164 14.614 7.412 539 1HD LYS 76 1HD LYS 76 2.933 12.121 6.288 540 2HD LYS 76 2HD LYS 76 2.878 11.683 7.988 541 1HE LYS 76 1HE LYS 76 0.606 12.039 7.647 542 2HE LYS 76 2HE LYS 76 1.061 13.701 8.045 543 1HZ LYS 76 1HZ LYS 76 1.365 13.887 5.476 544 2HZ LYS 76 2HZ LYS 76 0.519 12.476 5.429 545 3HZ LYS 76 3HZ LYS 76 -0.212 13.715 6.040 546 H LYS 77 H LYS 77 5.819 15.996 3.845 547 HA LYS 77 HA LYS 77 8.605 16.070 4.506 548 1HB LYS 77 1HB LYS 77 8.031 13.824 3.169 549 2HB LYS 77 2HB LYS 77 7.701 14.907 1.840 550 1HG LYS 77 1HG LYS 77 9.935 14.112 1.568 551 2HG LYS 77 2HG LYS 77 10.005 15.823 1.989 552 1HD LYS 77 1HD LYS 77 11.757 14.562 3.092 553 2HD LYS 77 2HD LYS 77 10.700 15.272 4.297 554 1HE LYS 77 1HE LYS 77 10.339 12.367 3.348 555 2HE LYS 77 2HE LYS 77 11.527 12.799 4.581 556 1HZ LYS 77 1HZ LYS 77 9.739 13.705 5.923 557 2HZ LYS 77 2HZ LYS 77 8.614 13.200 4.875 558 3HZ LYS 77 3HZ LYS 77 9.592 12.124 5.611 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -6.198 2.005 8.309 2 2H ALA 1 2H ALA 1 -6.264 3.497 8.580 3 3H ALA 1 3H ALA 1 -7.477 2.771 8.027 4 HA ALA 1 HA ALA 1 -6.749 2.968 5.767 5 1HB ALA 1 1HB ALA 1 -4.559 4.488 7.165 6 2HB ALA 1 2HB ALA 1 -4.584 4.193 5.413 7 3HB ALA 1 3HB ALA 1 -5.941 5.040 6.197 8 H TYR 2 H TYR 2 -5.456 2.010 4.176 9 HA TYR 2 HA TYR 2 -4.123 -0.455 5.137 10 1HB TYR 2 1HB TYR 2 -5.338 0.325 2.471 11 2HB TYR 2 2HB TYR 2 -4.432 -1.152 2.760 12 HD1 TYR 2 HD1 TYR 2 -7.533 0.679 3.686 13 HD2 TYR 2 HD2 TYR 2 -5.377 -3.049 3.921 14 HE1 TYR 2 HE1 TYR 2 -9.636 -0.505 4.212 15 HE2 TYR 2 HE2 TYR 2 -7.499 -4.236 4.413 16 HH TYR 2 HH TYR 2 -10.592 -2.627 3.910 17 H VAL 3 H VAL 3 -2.142 -1.041 4.480 18 HA VAL 3 HA VAL 3 -0.436 0.969 3.090 19 HB VAL 3 HB VAL 3 -0.051 -0.281 5.856 20 1HG1 VAL 3 1HG1 VAL 3 1.818 1.181 3.991 21 2HG1 VAL 3 2HG1 VAL 3 2.053 1.228 5.731 22 3HG1 VAL 3 3HG1 VAL 3 2.111 -0.323 4.899 23 1HG2 VAL 3 1HG2 VAL 3 -0.283 2.583 4.848 24 2HG2 VAL 3 2HG2 VAL 3 -1.488 1.734 5.852 25 3HG2 VAL 3 3HG2 VAL 3 0.088 2.146 6.522 26 H ILE 4 H ILE 4 1.326 0.233 2.058 27 HA ILE 4 HA ILE 4 1.439 -2.559 1.229 28 HB ILE 4 HB ILE 4 2.767 0.054 0.465 29 1HG1 ILE 4 1HG1 ILE 4 2.322 -0.935 -1.824 30 2HG1 ILE 4 2HG1 ILE 4 1.602 -2.332 -1.027 31 1HG2 ILE 4 1HG2 ILE 4 4.029 -2.639 -0.127 32 2HG2 ILE 4 2HG2 ILE 4 4.417 -1.135 -0.972 33 3HG2 ILE 4 3HG2 ILE 4 4.783 -1.280 0.741 34 1HD1 ILE 4 1HD1 ILE 4 -0.123 -0.822 -0.023 35 2HD1 ILE 4 2HD1 ILE 4 0.642 0.553 -0.844 36 3HD1 ILE 4 3HD1 ILE 4 -0.112 -0.743 -1.793 37 H THR 5 H THR 5 3.042 -4.042 1.720 38 HA THR 5 HA THR 5 5.216 -3.197 3.537 39 HB THR 5 HB THR 5 4.960 -5.345 4.776 40 HG1 THR 5 HG1 THR 5 2.443 -5.476 3.426 41 1HG2 THR 5 1HG2 THR 5 4.091 -3.180 5.668 42 2HG2 THR 5 2HG2 THR 5 2.491 -3.580 5.002 43 3HG2 THR 5 3HG2 THR 5 3.229 -4.620 6.242 44 H GLU 6 H GLU 6 6.908 -4.670 3.565 45 HA GLU 6 HA GLU 6 8.486 -5.292 1.730 46 1HB GLU 6 1HB GLU 6 8.498 -5.904 4.115 47 2HB GLU 6 2HB GLU 6 7.797 -7.460 3.714 48 1HG GLU 6 1HG GLU 6 9.760 -8.210 2.900 49 2HG GLU 6 2HG GLU 6 10.183 -6.667 2.193 50 HA PRO 7 HA PRO 7 6.934 -9.313 -0.174 51 1HB PRO 7 1HB PRO 7 3.961 -9.330 0.228 52 2HB PRO 7 2HB PRO 7 5.107 -10.698 0.224 53 1HG PRO 7 1HG PRO 7 4.133 -9.763 2.580 54 2HG PRO 7 2HG PRO 7 5.882 -10.133 2.430 55 1HD PRO 7 1HD PRO 7 4.516 -7.455 2.072 56 2HD PRO 7 2HD PRO 7 5.838 -7.836 3.180 57 H CYS 8 H CYS 8 5.079 -6.319 -0.399 58 HA CYS 8 HA CYS 8 4.110 -6.596 -3.091 59 1HB CYS 8 1HB CYS 8 3.268 -4.829 -1.656 60 2HB CYS 8 2HB CYS 8 4.925 -4.318 -1.327 61 H ILE 9 H ILE 9 7.312 -5.870 -1.700 62 HA ILE 9 HA ILE 9 8.145 -4.390 -4.001 63 HB ILE 9 HB ILE 9 9.744 -5.228 -1.622 64 1HG1 ILE 9 1HG1 ILE 9 9.448 -2.430 -1.794 65 2HG1 ILE 9 2HG1 ILE 9 7.908 -2.981 -2.404 66 1HG2 ILE 9 1HG2 ILE 9 10.439 -3.407 -3.977 67 2HG2 ILE 9 2HG2 ILE 9 11.379 -3.568 -2.479 68 3HG2 ILE 9 3HG2 ILE 9 11.240 -4.942 -3.575 69 1HD1 ILE 9 1HD1 ILE 9 9.052 -3.787 0.238 70 2HD1 ILE 9 2HD1 ILE 9 7.792 -2.561 -0.057 71 3HD1 ILE 9 3HD1 ILE 9 7.460 -4.254 -0.456 72 H GLY 10 H GLY 10 7.976 -5.384 -5.851 73 1HA GLY 10 1HA GLY 10 10.094 -7.108 -6.687 74 2HA GLY 10 2HA GLY 10 8.430 -7.737 -6.903 75 H THR 11 H THR 11 10.285 -6.719 -8.901 76 HA THR 11 HA THR 11 10.207 -4.200 -9.754 77 HB THR 11 HB THR 11 9.955 -6.481 -11.667 78 HG1 THR 11 HG1 THR 11 12.275 -5.809 -10.194 79 1HG2 THR 11 1HG2 THR 11 11.712 -3.982 -11.617 80 2HG2 THR 11 2HG2 THR 11 11.794 -5.267 -12.843 81 3HG2 THR 11 3HG2 THR 11 10.331 -4.275 -12.692 82 H LYS 12 H LYS 12 8.742 -2.775 -10.402 83 HA LYS 12 HA LYS 12 6.516 -2.069 -10.620 84 1HB LYS 12 1HB LYS 12 8.260 -2.321 -12.970 85 2HB LYS 12 2HB LYS 12 6.569 -2.022 -13.414 86 1HG LYS 12 1HG LYS 12 6.415 -0.117 -11.950 87 2HG LYS 12 2HG LYS 12 7.997 -0.506 -11.237 88 1HD LYS 12 1HD LYS 12 9.159 0.087 -13.265 89 2HD LYS 12 2HD LYS 12 7.631 0.313 -14.146 90 1HE LYS 12 1HE LYS 12 8.661 2.481 -13.359 91 2HE LYS 12 2HE LYS 12 7.021 2.222 -12.746 92 1HZ LYS 12 1HZ LYS 12 9.456 1.609 -11.172 93 2HZ LYS 12 2HZ LYS 12 8.528 3.005 -11.039 94 3HZ LYS 12 3HZ LYS 12 7.922 1.557 -10.647 95 H CYS 13 H CYS 13 5.447 -3.758 -9.600 96 HA CYS 13 HA CYS 13 3.814 -5.713 -10.677 97 1HB CYS 13 1HB CYS 13 3.967 -5.330 -8.360 98 2HB CYS 13 2HB CYS 13 3.501 -3.643 -8.568 99 H ALA 14 H ALA 14 2.924 -2.303 -10.208 100 HA ALA 14 HA ALA 14 1.319 -0.948 -11.081 101 1HB ALA 14 1HB ALA 14 2.917 -1.084 -12.976 102 2HB ALA 14 2HB ALA 14 1.944 -2.395 -13.679 103 3HB ALA 14 3HB ALA 14 1.250 -0.771 -13.494 104 H SER 15 H SER 15 0.205 -3.174 -9.790 105 HA SER 15 HA SER 15 -2.285 -3.665 -11.385 106 1HB SER 15 1HB SER 15 -1.394 -5.003 -8.821 107 2HB SER 15 2HB SER 15 -2.808 -5.395 -9.805 108 HG SER 15 HG SER 15 -0.140 -5.422 -10.806 109 H CYS 16 H CYS 16 -1.296 -2.528 -8.073 110 HA CYS 16 HA CYS 16 -3.977 -1.450 -7.617 111 1HB CYS 16 1HB CYS 16 -3.125 -0.610 -5.547 112 2HB CYS 16 2HB CYS 16 -2.929 -2.355 -5.716 113 H VAL 17 H VAL 17 -3.878 -0.356 -9.729 114 HA VAL 17 HA VAL 17 -3.066 2.468 -9.396 115 HB VAL 17 HB VAL 17 -2.272 2.561 -11.722 116 1HG1 VAL 17 1HG1 VAL 17 -0.673 2.301 -9.859 117 2HG1 VAL 17 2HG1 VAL 17 -0.667 0.540 -10.109 118 3HG1 VAL 17 3HG1 VAL 17 -0.072 1.619 -11.384 119 1HG2 VAL 17 1HG2 VAL 17 -3.437 0.509 -12.610 120 2HG2 VAL 17 2HG2 VAL 17 -1.721 0.594 -13.016 121 3HG2 VAL 17 3HG2 VAL 17 -2.269 -0.486 -11.720 122 H GLU 18 H GLU 18 -4.314 3.900 -10.792 123 HA GLU 18 HA GLU 18 -6.336 4.683 -11.425 124 1HB GLU 18 1HB GLU 18 -6.070 2.589 -13.432 125 2HB GLU 18 2HB GLU 18 -6.821 4.176 -13.589 126 1HG GLU 18 1HG GLU 18 -4.584 5.247 -13.251 127 2HG GLU 18 2HG GLU 18 -3.836 3.637 -13.226 128 H VAL 19 H VAL 19 -7.184 3.604 -9.309 129 HA VAL 19 HA VAL 19 -9.627 2.145 -9.884 130 HB VAL 19 HB VAL 19 -7.914 0.367 -10.077 131 1HG1 VAL 19 1HG1 VAL 19 -6.282 1.251 -8.350 132 2HG1 VAL 19 2HG1 VAL 19 -7.403 0.726 -7.084 133 3HG1 VAL 19 3HG1 VAL 19 -6.678 -0.466 -8.174 134 1HG2 VAL 19 1HG2 VAL 19 -10.329 0.127 -9.092 135 2HG2 VAL 19 2HG2 VAL 19 -9.194 -1.235 -9.056 136 3HG2 VAL 19 3HG2 VAL 19 -9.471 -0.263 -7.591 137 H CYS 20 H CYS 20 -7.456 3.622 -7.413 138 HA CYS 20 HA CYS 20 -9.263 2.881 -5.266 139 1HB CYS 20 1HB CYS 20 -6.972 3.023 -4.674 140 2HB CYS 20 2HB CYS 20 -6.815 4.464 -5.586 141 HA PRO 21 HA PRO 21 -12.351 6.034 -5.789 142 1HB PRO 21 1HB PRO 21 -11.602 6.626 -2.906 143 2HB PRO 21 2HB PRO 21 -13.235 6.639 -3.642 144 1HG PRO 21 1HG PRO 21 -12.386 4.425 -2.316 145 2HG PRO 21 2HG PRO 21 -13.195 4.246 -3.902 146 1HD PRO 21 1HD PRO 21 -10.248 4.077 -3.295 147 2HD PRO 21 2HD PRO 21 -11.241 3.142 -4.449 148 H VAL 22 H VAL 22 -9.274 7.080 -4.292 149 HA VAL 22 HA VAL 22 -9.458 9.644 -5.798 150 HB VAL 22 HB VAL 22 -8.470 10.807 -3.814 151 1HG1 VAL 22 1HG1 VAL 22 -10.882 10.970 -4.362 152 2HG1 VAL 22 2HG1 VAL 22 -11.214 9.611 -3.267 153 3HG1 VAL 22 3HG1 VAL 22 -10.550 11.125 -2.629 154 1HG2 VAL 22 1HG2 VAL 22 -7.637 8.773 -2.595 155 2HG2 VAL 22 2HG2 VAL 22 -8.658 9.821 -1.590 156 3HG2 VAL 22 3HG2 VAL 22 -9.316 8.318 -2.246 157 H ASP 23 H ASP 23 -8.137 7.110 -6.364 158 HA ASP 23 HA ASP 23 -6.006 6.122 -6.337 159 1HB ASP 23 1HB ASP 23 -6.269 8.170 -8.484 160 2HB ASP 23 2HB ASP 23 -4.887 7.076 -8.402 161 H CYS 24 H CYS 24 -5.579 6.849 -4.134 162 HA CYS 24 HA CYS 24 -3.253 8.664 -3.903 163 1HB CYS 24 1HB CYS 24 -3.426 8.344 -1.578 164 2HB CYS 24 2HB CYS 24 -5.033 8.721 -2.246 165 HG CYS 24 HG CYS 24 -3.768 6.108 -0.823 166 H ILE 25 H ILE 25 -2.770 6.599 -5.653 167 HA ILE 25 HA ILE 25 -1.001 4.750 -4.192 168 HB ILE 25 HB ILE 25 -1.206 3.376 -6.424 169 1HG1 ILE 25 1HG1 ILE 25 -3.536 3.206 -7.184 170 2HG1 ILE 25 2HG1 ILE 25 -3.987 4.657 -6.301 171 1HG2 ILE 25 1HG2 ILE 25 -3.257 3.381 -4.184 172 2HG2 ILE 25 2HG2 ILE 25 -2.988 2.027 -5.294 173 3HG2 ILE 25 3HG2 ILE 25 -1.688 2.535 -4.216 174 1HD1 ILE 25 1HD1 ILE 25 -1.870 4.600 -8.505 175 2HD1 ILE 25 2HD1 ILE 25 -3.589 4.941 -8.786 176 3HD1 ILE 25 3HD1 ILE 25 -2.640 6.038 -7.783 177 H HIS 26 H HIS 26 1.190 5.022 -4.565 178 HA HIS 26 HA HIS 26 2.068 6.769 -6.825 179 1HB HIS 26 1HB HIS 26 2.771 6.823 -3.840 180 2HB HIS 26 2HB HIS 26 3.409 7.876 -5.077 181 HD1 HIS 26 HD1 HIS 26 1.154 9.336 -6.375 182 HD2 HIS 26 HD2 HIS 26 0.653 7.605 -2.590 183 HE1 HIS 26 HE1 HIS 26 -0.962 10.363 -5.392 184 H GLU 27 H GLU 27 4.231 6.300 -7.524 185 HA GLU 27 HA GLU 27 5.316 3.783 -6.601 186 1HB GLU 27 1HB GLU 27 6.474 5.954 -8.293 187 2HB GLU 27 2HB GLU 27 7.418 4.541 -7.815 188 1HG GLU 27 1HG GLU 27 5.889 2.980 -8.752 189 2HG GLU 27 2HG GLU 27 4.709 4.244 -9.048 190 H GLY 28 H GLY 28 6.162 3.503 -4.759 191 1HA GLY 28 1HA GLY 28 7.098 5.683 -2.999 192 2HA GLY 28 2HA GLY 28 7.160 3.945 -2.640 193 H GLU 29 H GLU 29 8.446 2.753 -4.466 194 HA GLU 29 HA GLU 29 11.133 4.044 -4.764 195 1HB GLU 29 1HB GLU 29 10.628 1.122 -4.015 196 2HB GLU 29 2HB GLU 29 12.152 1.979 -4.166 197 1HG GLU 29 1HG GLU 29 11.788 1.886 -1.869 198 2HG GLU 29 2HG GLU 29 11.264 3.523 -2.272 199 H ASP 30 H ASP 30 9.632 0.992 -5.752 200 HA ASP 30 HA ASP 30 9.692 1.892 -8.620 201 1HB ASP 30 1HB ASP 30 11.469 0.223 -8.099 202 2HB ASP 30 2HB ASP 30 10.217 -0.920 -7.576 203 H GLN 31 H GLN 31 8.047 0.054 -6.208 204 HA GLN 31 HA GLN 31 5.749 -0.747 -7.833 205 1HB GLN 31 1HB GLN 31 5.314 -1.331 -5.050 206 2HB GLN 31 2HB GLN 31 5.588 -2.451 -6.381 207 1HG GLN 31 1HG GLN 31 6.867 -2.783 -4.380 208 2HG GLN 31 2HG GLN 31 7.941 -2.530 -5.769 209 1HE2 GLN 31 2HE2 GLN 31 6.474 -0.862 -2.959 210 2HE2 GLN 31 1HE2 GLN 31 7.802 0.325 -2.778 211 H TYR 32 H TYR 32 3.614 -0.376 -6.985 212 HA TYR 32 HA TYR 32 3.206 2.387 -6.229 213 1HB TYR 32 1HB TYR 32 1.297 0.148 -6.910 214 2HB TYR 32 2HB TYR 32 0.788 1.769 -6.438 215 HD1 TYR 32 HD1 TYR 32 2.627 -0.196 -8.999 216 HD2 TYR 32 HD2 TYR 32 1.186 3.709 -7.884 217 HE1 TYR 32 HE1 TYR 32 3.512 0.740 -11.118 218 HE2 TYR 32 HE2 TYR 32 2.007 4.621 -10.040 219 HH TYR 32 HH TYR 32 4.157 3.690 -11.709 220 H TYR 33 H TYR 33 2.833 3.095 -4.376 221 HA TYR 33 HA TYR 33 2.704 1.532 -1.877 222 1HB TYR 33 1HB TYR 33 4.432 3.614 -2.879 223 2HB TYR 33 2HB TYR 33 3.386 4.405 -1.733 224 HD1 TYR 33 HD1 TYR 33 5.184 1.116 -2.131 225 HD2 TYR 33 HD2 TYR 33 4.494 4.550 0.374 226 HE1 TYR 33 HE1 TYR 33 6.966 0.358 -0.609 227 HE2 TYR 33 HE2 TYR 33 6.274 3.753 1.924 228 HH TYR 33 HH TYR 33 8.676 1.877 0.734 229 H ILE 34 H ILE 34 1.170 2.817 -0.274 230 HA ILE 34 HA ILE 34 -0.938 4.260 -1.729 231 HB ILE 34 HB ILE 34 -1.041 2.140 0.427 232 1HG1 ILE 34 1HG1 ILE 34 -2.774 2.488 -2.065 233 2HG1 ILE 34 2HG1 ILE 34 -1.257 1.587 -2.082 234 1HG2 ILE 34 1HG2 ILE 34 -3.233 4.167 -0.151 235 2HG2 ILE 34 2HG2 ILE 34 -3.471 2.674 0.772 236 3HG2 ILE 34 3HG2 ILE 34 -2.401 3.897 1.396 237 1HD1 ILE 34 1HD1 ILE 34 -2.193 0.123 -0.235 238 2HD1 ILE 34 2HD1 ILE 34 -3.753 0.917 -0.498 239 3HD1 ILE 34 3HD1 ILE 34 -2.986 0.025 -1.822 240 H ASP 35 H ASP 35 -1.486 6.305 -0.801 241 HA ASP 35 HA ASP 35 0.051 7.097 1.590 242 1HB ASP 35 1HB ASP 35 -0.692 8.840 -0.143 243 2HB ASP 35 2HB ASP 35 -2.315 8.629 0.529 244 HA PRO 36 HA PRO 36 -3.292 4.959 3.831 245 1HB PRO 36 1HB PRO 36 -2.436 5.365 6.412 246 2HB PRO 36 2HB PRO 36 -1.772 4.124 5.333 247 1HG PRO 36 1HG PRO 36 -0.655 6.893 5.888 248 2HG PRO 36 2HG PRO 36 0.241 5.343 5.882 249 1HD PRO 36 1HD PRO 36 0.245 7.000 3.748 250 2HD PRO 36 2HD PRO 36 0.132 5.227 3.513 251 H ASP 37 H ASP 37 -2.085 8.276 4.289 252 HA ASP 37 HA ASP 37 -4.300 9.004 6.067 253 1HB ASP 37 1HB ASP 37 -2.149 10.732 4.853 254 2HB ASP 37 2HB ASP 37 -3.196 11.117 6.228 255 H VAL 38 H VAL 38 -3.599 9.024 2.600 256 HA VAL 38 HA VAL 38 -6.046 10.664 2.144 257 HB VAL 38 HB VAL 38 -4.165 9.545 0.056 258 1HG1 VAL 38 1HG1 VAL 38 -6.414 11.587 -0.081 259 2HG1 VAL 38 2HG1 VAL 38 -5.293 11.179 -1.399 260 3HG1 VAL 38 3HG1 VAL 38 -6.418 9.963 -0.796 261 1HG2 VAL 38 1HG2 VAL 38 -3.983 11.932 1.810 262 2HG2 VAL 38 2HG2 VAL 38 -2.769 11.185 0.757 263 3HG2 VAL 38 3HG2 VAL 38 -3.936 12.321 0.089 264 H CYS 39 H CYS 39 -4.975 7.240 2.108 265 HA CYS 39 HA CYS 39 -7.252 6.181 0.808 266 1HB CYS 39 1HB CYS 39 -5.349 4.791 1.304 267 2HB CYS 39 2HB CYS 39 -5.526 5.108 3.021 268 H ILE 40 H ILE 40 -9.341 6.003 1.381 269 HA ILE 40 HA ILE 40 -10.220 6.996 4.042 270 HB ILE 40 HB ILE 40 -12.416 7.234 2.907 271 1HG1 ILE 40 1HG1 ILE 40 -10.954 6.777 0.279 272 2HG1 ILE 40 2HG1 ILE 40 -11.816 5.454 1.069 273 1HG2 ILE 40 1HG2 ILE 40 -10.765 9.091 3.090 274 2HG2 ILE 40 2HG2 ILE 40 -10.109 8.651 1.503 275 3HG2 ILE 40 3HG2 ILE 40 -11.769 9.240 1.646 276 1HD1 ILE 40 1HD1 ILE 40 -13.315 8.035 0.608 277 2HD1 ILE 40 2HD1 ILE 40 -13.019 6.931 -0.744 278 3HD1 ILE 40 3HD1 ILE 40 -13.900 6.363 0.687 279 H ASP 41 H ASP 41 -9.081 4.389 3.938 280 HA ASP 41 HA ASP 41 -9.472 2.176 4.417 281 1HB ASP 41 1HB ASP 41 -11.164 3.770 6.346 282 2HB ASP 41 2HB ASP 41 -11.175 2.009 6.433 283 H CYS 42 H CYS 42 -10.494 2.262 2.117 284 HA CYS 42 HA CYS 42 -13.322 1.396 2.165 285 1HB CYS 42 1HB CYS 42 -13.463 1.876 0.018 286 2HB CYS 42 2HB CYS 42 -12.273 3.079 0.480 287 H GLY 43 H GLY 43 -13.580 -0.362 0.233 288 1HA GLY 43 1HA GLY 43 -11.878 -2.754 0.887 289 2HA GLY 43 2HA GLY 43 -13.610 -2.837 0.542 290 H ALA 44 H ALA 44 -10.573 -1.530 -0.854 291 HA ALA 44 HA ALA 44 -10.787 -3.010 -3.262 292 1HB ALA 44 1HB ALA 44 -11.401 -0.022 -3.401 293 2HB ALA 44 2HB ALA 44 -10.716 -0.912 -4.768 294 3HB ALA 44 3HB ALA 44 -12.306 -1.366 -4.126 295 H CYS 45 H CYS 45 -8.848 -2.557 -4.540 296 HA CYS 45 HA CYS 45 -6.684 -2.336 -4.890 297 1HB CYS 45 1HB CYS 45 -5.216 -0.888 -3.985 298 2HB CYS 45 2HB CYS 45 -6.736 -0.035 -4.003 299 H GLU 46 H GLU 46 -7.308 -2.835 -1.403 300 HA GLU 46 HA GLU 46 -5.250 -4.637 -0.846 301 1HB GLU 46 1HB GLU 46 -7.147 -5.684 0.742 302 2HB GLU 46 2HB GLU 46 -6.237 -4.221 1.084 303 1HG GLU 46 1HG GLU 46 -8.511 -3.868 1.649 304 2HG GLU 46 2HG GLU 46 -8.127 -2.804 0.318 305 H ALA 47 H ALA 47 -8.479 -5.497 -2.059 306 HA ALA 47 HA ALA 47 -7.886 -8.293 -2.383 307 1HB ALA 47 1HB ALA 47 -10.162 -7.395 -2.081 308 2HB ALA 47 2HB ALA 47 -10.048 -6.557 -3.643 309 3HB ALA 47 3HB ALA 47 -10.037 -8.334 -3.585 310 H VAL 48 H VAL 48 -6.988 -5.521 -4.352 311 HA VAL 48 HA VAL 48 -7.030 -6.970 -6.873 312 HB VAL 48 HB VAL 48 -5.899 -4.263 -6.110 313 1HG1 VAL 48 1HG1 VAL 48 -6.261 -5.569 -8.810 314 2HG1 VAL 48 2HG1 VAL 48 -5.862 -3.854 -8.532 315 3HG1 VAL 48 3HG1 VAL 48 -4.730 -5.110 -8.022 316 1HG2 VAL 48 1HG2 VAL 48 -8.551 -5.200 -7.274 317 2HG2 VAL 48 2HG2 VAL 48 -8.273 -4.134 -5.886 318 3HG2 VAL 48 3HG2 VAL 48 -7.957 -3.549 -7.527 319 H CYS 49 H CYS 49 -4.663 -6.143 -4.295 320 HA CYS 49 HA CYS 49 -2.362 -6.919 -5.757 321 1HB CYS 49 1HB CYS 49 -2.559 -5.680 -3.480 322 2HB CYS 49 2HB CYS 49 -2.600 -7.324 -2.803 323 HA PRO 50 HA PRO 50 -3.733 -11.252 -5.795 324 1HB PRO 50 1HB PRO 50 -1.834 -12.335 -7.472 325 2HB PRO 50 2HB PRO 50 -3.227 -11.369 -8.020 326 1HG PRO 50 1HG PRO 50 -0.366 -10.493 -7.675 327 2HG PRO 50 2HG PRO 50 -1.525 -10.056 -8.961 328 1HD PRO 50 1HD PRO 50 -0.925 -8.466 -6.757 329 2HD PRO 50 2HD PRO 50 -2.445 -8.373 -7.681 330 H VAL 51 H VAL 51 -1.108 -9.949 -4.234 331 HA VAL 51 HA VAL 51 0.015 -12.519 -3.285 332 HB VAL 51 HB VAL 51 2.027 -11.527 -3.275 333 1HG1 VAL 51 1HG1 VAL 51 1.162 -10.880 -5.556 334 2HG1 VAL 51 2HG1 VAL 51 0.720 -9.284 -4.884 335 3HG1 VAL 51 3HG1 VAL 51 2.412 -9.793 -4.933 336 1HG2 VAL 51 1HG2 VAL 51 0.718 -8.942 -2.381 337 2HG2 VAL 51 2HG2 VAL 51 1.675 -10.069 -1.379 338 3HG2 VAL 51 3HG2 VAL 51 2.465 -9.142 -2.658 339 H SER 52 H SER 52 -1.966 -9.773 -2.393 340 HA SER 52 HA SER 52 -2.736 -8.937 -0.468 341 1HB SER 52 1HB SER 52 -3.541 -11.299 -0.210 342 2HB SER 52 2HB SER 52 -2.122 -11.642 0.800 343 HG SER 52 HG SER 52 -2.820 -9.960 2.188 344 H ALA 53 H ALA 53 -0.409 -7.890 -0.946 345 HA ALA 53 HA ALA 53 1.378 -8.080 1.434 346 1HB ALA 53 1HB ALA 53 1.489 -6.376 -1.086 347 2HB ALA 53 2HB ALA 53 2.692 -6.369 0.222 348 3HB ALA 53 3HB ALA 53 2.457 -7.827 -0.746 349 H ILE 54 H ILE 54 -1.307 -6.258 0.180 350 HA ILE 54 HA ILE 54 -0.815 -3.862 1.735 351 HB ILE 54 HB ILE 54 -3.258 -4.806 0.197 352 1HG1 ILE 54 1HG1 ILE 54 -1.029 -2.908 -0.642 353 2HG1 ILE 54 2HG1 ILE 54 -1.269 -4.555 -1.235 354 1HG2 ILE 54 1HG2 ILE 54 -2.594 -2.338 1.792 355 2HG2 ILE 54 2HG2 ILE 54 -3.557 -2.114 0.330 356 3HG2 ILE 54 3HG2 ILE 54 -4.134 -3.197 1.592 357 1HD1 ILE 54 1HD1 ILE 54 -3.517 -3.902 -2.110 358 2HD1 ILE 54 2HD1 ILE 54 -3.112 -2.212 -1.767 359 3HD1 ILE 54 3HD1 ILE 54 -2.143 -3.134 -2.909 360 H TYR 55 H TYR 55 -1.249 -3.792 3.927 361 HA TYR 55 HA TYR 55 -3.451 -5.479 5.042 362 1HB TYR 55 1HB TYR 55 -0.663 -4.917 6.072 363 2HB TYR 55 2HB TYR 55 -1.932 -5.552 7.091 364 HD1 TYR 55 HD1 TYR 55 -3.160 -7.743 6.018 365 HD2 TYR 55 HD2 TYR 55 0.852 -6.444 5.111 366 HE1 TYR 55 HE1 TYR 55 -2.622 -9.998 5.137 367 HE2 TYR 55 HE2 TYR 55 1.375 -8.691 4.219 368 HH TYR 55 HH TYR 55 -0.133 -10.568 3.137 369 H HIS 56 H HIS 56 -4.106 -4.532 7.200 370 HA HIS 56 HA HIS 56 -4.419 -1.650 6.924 371 1HB HIS 56 1HB HIS 56 -6.001 -3.432 8.133 372 2HB HIS 56 2HB HIS 56 -4.919 -3.182 9.483 373 HD1 HIS 56 HD1 HIS 56 -5.943 -1.471 11.083 374 HD2 HIS 56 HD2 HIS 56 -6.709 -0.669 7.027 375 HE1 HIS 56 HE1 HIS 56 -7.120 0.802 10.997 376 H GLU 57 H GLU 57 -3.337 -0.001 8.118 377 HA GLU 57 HA GLU 57 -0.716 -0.512 8.772 378 1HB GLU 57 1HB GLU 57 -0.793 1.725 9.796 379 2HB GLU 57 2HB GLU 57 -1.702 1.703 8.266 380 1HG GLU 57 1HG GLU 57 -3.697 1.199 9.826 381 2HG GLU 57 2HG GLU 57 -2.620 1.811 11.097 382 H ASP 58 H ASP 58 -3.449 -0.615 10.928 383 HA ASP 58 HA ASP 58 -1.825 -1.208 13.219 384 1HB ASP 58 1HB ASP 58 -3.666 -0.912 14.402 385 2HB ASP 58 2HB ASP 58 -4.348 -0.231 12.941 386 H PHE 59 H PHE 59 -2.736 -3.234 10.569 387 HA PHE 59 HA PHE 59 -2.720 -5.721 12.195 388 1HB PHE 59 1HB PHE 59 -2.928 -5.078 9.228 389 2HB PHE 59 2HB PHE 59 -2.629 -6.672 9.849 390 HD1 PHE 59 HD1 PHE 59 -4.918 -4.865 12.021 391 HD2 PHE 59 HD2 PHE 59 -4.643 -7.206 8.397 392 HE1 PHE 59 HE1 PHE 59 -7.342 -5.147 12.027 393 HE2 PHE 59 HE2 PHE 59 -7.097 -7.545 8.450 394 HZ PHE 59 HZ PHE 59 -8.460 -6.503 10.252 395 H VAL 60 H VAL 60 -0.622 -3.701 10.175 396 HA VAL 60 HA VAL 60 1.226 -5.682 9.524 397 HB VAL 60 HB VAL 60 1.399 -2.670 9.598 398 1HG1 VAL 60 1HG1 VAL 60 3.481 -4.716 8.712 399 2HG1 VAL 60 2HG1 VAL 60 3.478 -3.046 8.141 400 3HG1 VAL 60 3HG1 VAL 60 3.704 -3.376 9.864 401 1HG2 VAL 60 1HG2 VAL 60 -0.108 -3.840 7.982 402 2HG2 VAL 60 2HG2 VAL 60 1.214 -3.051 7.130 403 3HG2 VAL 60 3HG2 VAL 60 1.260 -4.797 7.403 404 HA PRO 61 HA PRO 61 3.268 -6.447 13.455 405 1HB PRO 61 1HB PRO 61 5.528 -7.248 11.606 406 2HB PRO 61 2HB PRO 61 4.929 -8.101 13.054 407 1HG PRO 61 1HG PRO 61 4.204 -8.955 10.587 408 2HG PRO 61 2HG PRO 61 2.971 -8.840 11.881 409 1HD PRO 61 1HD PRO 61 3.505 -6.882 9.637 410 2HD PRO 61 2HD PRO 61 1.954 -7.530 10.269 411 H GLU 62 H GLU 62 4.981 -5.536 14.712 412 HA GLU 62 HA GLU 62 5.529 -2.828 14.253 413 1HB GLU 62 1HB GLU 62 5.480 -4.043 16.448 414 2HB GLU 62 2HB GLU 62 7.030 -4.787 16.024 415 1HG GLU 62 1HG GLU 62 7.334 -2.876 17.545 416 2HG GLU 62 2HG GLU 62 8.064 -2.503 15.976 417 H GLU 63 H GLU 63 7.596 -5.669 13.690 418 HA GLU 63 HA GLU 63 9.980 -4.626 12.802 419 1HB GLU 63 1HB GLU 63 8.410 -6.796 11.365 420 2HB GLU 63 2HB GLU 63 10.157 -6.549 11.375 421 1HG GLU 63 1HG GLU 63 10.028 -8.215 12.926 422 2HG GLU 63 2HG GLU 63 9.835 -6.854 14.033 423 H TRP 64 H TRP 64 6.893 -4.722 11.055 424 HA TRP 64 HA TRP 64 8.037 -3.278 8.718 425 1HB TRP 64 1HB TRP 64 5.700 -5.143 9.102 426 2HB TRP 64 2HB TRP 64 5.885 -4.163 7.654 427 HD1 TRP 64 HD1 TRP 64 9.294 -4.994 8.013 428 HE1 TRP 64 HE1 TRP 64 9.930 -7.056 6.597 429 HE3 TRP 64 HE3 TRP 64 4.629 -7.036 7.278 430 HZ2 TRP 64 HZ2 TRP 64 8.677 -9.294 5.462 431 HZ3 TRP 64 HZ3 TRP 64 4.396 -9.056 5.863 432 HH2 TRP 64 HH2 TRP 64 6.440 -10.080 4.808 433 H LYS 65 H LYS 65 6.368 -2.444 11.598 434 HA LYS 65 HA LYS 65 4.569 -0.537 10.498 435 1HB LYS 65 1HB LYS 65 5.900 -1.021 13.164 436 2HB LYS 65 2HB LYS 65 5.043 0.426 12.840 437 1HG LYS 65 1HG LYS 65 3.030 -0.910 12.070 438 2HG LYS 65 2HG LYS 65 3.897 -2.368 12.536 439 1HD LYS 65 1HD LYS 65 2.115 -1.601 14.072 440 2HD LYS 65 2HD LYS 65 3.644 -1.888 14.873 441 1HE LYS 65 1HE LYS 65 2.983 0.927 13.935 442 2HE LYS 65 2HE LYS 65 2.182 0.279 15.372 443 1HZ LYS 65 1HZ LYS 65 5.138 0.302 15.145 444 2HZ LYS 65 2HZ LYS 65 4.247 1.444 15.949 445 3HZ LYS 65 3HZ LYS 65 4.288 -0.150 16.381 446 H SER 66 H SER 66 8.007 -0.770 10.584 447 HA SER 66 HA SER 66 8.848 1.909 10.307 448 1HB SER 66 1HB SER 66 10.575 0.669 8.792 449 2HB SER 66 2HB SER 66 10.446 0.127 10.479 450 HG SER 66 HG SER 66 9.941 -1.792 9.674 451 H TYR 67 H TYR 67 7.393 -0.426 7.957 452 HA TYR 67 HA TYR 67 7.499 1.427 5.750 453 1HB TYR 67 1HB TYR 67 5.725 -0.996 6.166 454 2HB TYR 67 2HB TYR 67 5.743 0.041 4.745 455 HD1 TYR 67 HD1 TYR 67 7.654 0.131 3.224 456 HD2 TYR 67 HD2 TYR 67 7.557 -2.647 6.505 457 HE1 TYR 67 HE1 TYR 67 9.456 -1.194 2.152 458 HE2 TYR 67 HE2 TYR 67 9.375 -3.965 5.443 459 HH TYR 67 HH TYR 67 10.775 -4.196 3.587 460 H ILE 68 H ILE 68 5.074 0.951 8.436 461 HA ILE 68 HA ILE 68 3.006 2.450 7.106 462 HB ILE 68 HB ILE 68 3.612 1.546 9.941 463 1HG1 ILE 68 1HG1 ILE 68 1.593 0.309 9.733 464 2HG1 ILE 68 2HG1 ILE 68 1.195 1.084 8.195 465 1HG2 ILE 68 1HG2 ILE 68 1.405 3.414 9.087 466 2HG2 ILE 68 2HG2 ILE 68 1.474 2.530 10.635 467 3HG2 ILE 68 3HG2 ILE 68 2.716 3.730 10.261 468 1HD1 ILE 68 1HD1 ILE 68 3.118 -0.122 7.122 469 2HD1 ILE 68 2HD1 ILE 68 3.453 -0.874 8.686 470 3HD1 ILE 68 3HD1 ILE 68 1.917 -1.165 7.851 471 H GLN 69 H GLN 69 5.607 3.238 9.401 472 HA GLN 69 HA GLN 69 5.179 6.028 9.462 473 1HB GLN 69 1HB GLN 69 6.807 4.668 10.866 474 2HB GLN 69 2HB GLN 69 7.875 4.626 9.462 475 1HG GLN 69 1HG GLN 69 8.733 6.442 10.564 476 2HG GLN 69 2HG GLN 69 7.580 7.270 9.508 477 1HE2 GLN 69 2HE2 GLN 69 6.011 8.563 10.507 478 2HE2 GLN 69 1HE2 GLN 69 5.758 8.573 12.246 479 H LYS 70 H LYS 70 7.146 4.068 7.139 480 HA LYS 70 HA LYS 70 8.026 6.311 5.687 481 1HB LYS 70 1HB LYS 70 9.002 3.950 5.559 482 2HB LYS 70 2HB LYS 70 7.556 3.483 4.698 483 1HG LYS 70 1HG LYS 70 9.176 3.666 3.081 484 2HG LYS 70 2HG LYS 70 8.123 5.032 2.853 485 1HD LYS 70 1HD LYS 70 10.872 5.078 4.178 486 2HD LYS 70 2HD LYS 70 10.561 5.446 2.488 487 1HE LYS 70 1HE LYS 70 9.826 7.137 4.905 488 2HE LYS 70 2HE LYS 70 10.908 7.511 3.588 489 1HZ LYS 70 1HZ LYS 70 9.006 7.636 2.092 490 2HZ LYS 70 2HZ LYS 70 7.971 7.318 3.342 491 3HZ LYS 70 3HZ LYS 70 8.893 8.662 3.389 492 H ASN 71 H ASN 71 5.309 4.196 5.100 493 HA ASN 71 HA ASN 71 4.257 5.362 2.731 494 1HB ASN 71 1HB ASN 71 3.094 3.733 4.942 495 2HB ASN 71 2HB ASN 71 2.039 4.450 3.755 496 1HD2 ASN 71 2HD2 ASN 71 4.770 2.189 4.083 497 2HD2 ASN 71 1HD2 ASN 71 4.382 1.285 2.625 498 H ARG 72 H ARG 72 3.706 6.228 6.198 499 HA ARG 72 HA ARG 72 1.754 8.234 5.842 500 1HB ARG 72 1HB ARG 72 2.611 7.005 7.890 501 2HB ARG 72 2HB ARG 72 3.974 8.088 7.916 502 1HG ARG 72 1HG ARG 72 2.852 9.626 9.022 503 2HG ARG 72 2HG ARG 72 1.599 9.709 7.775 504 1HD ARG 72 1HD ARG 72 1.770 7.544 9.914 505 2HD ARG 72 2HD ARG 72 0.766 9.001 10.042 506 HE ARG 72 HE ARG 72 -0.176 8.237 7.747 507 1HH1 ARG 72 1HH1 ARG 72 0.695 5.669 10.085 508 2HH1 ARG 72 2HH1 ARG 72 -0.922 4.946 9.934 509 1HH2 ARG 72 1HH2 ARG 72 -2.357 7.455 8.114 510 2HH2 ARG 72 2HH2 ARG 72 -2.516 5.798 8.834 511 H ASP 73 H ASP 73 5.238 8.316 6.307 512 HA ASP 73 HA ASP 73 5.793 11.032 6.235 513 1HB ASP 73 1HB ASP 73 7.242 9.309 7.145 514 2HB ASP 73 2HB ASP 73 7.291 8.458 5.619 515 H PHE 74 H PHE 74 6.063 8.693 3.612 516 HA PHE 74 HA PHE 74 7.331 9.877 1.602 517 1HB PHE 74 1HB PHE 74 5.119 8.005 1.724 518 2HB PHE 74 2HB PHE 74 5.090 9.002 0.281 519 HD1 PHE 74 HD1 PHE 74 7.109 9.299 -1.165 520 HD2 PHE 74 HD2 PHE 74 6.434 6.010 1.497 521 HE1 PHE 74 HE1 PHE 74 8.679 7.883 -2.444 522 HE2 PHE 74 HE2 PHE 74 8.296 4.739 0.388 523 HZ PHE 74 HZ PHE 74 9.618 5.809 -1.376 524 H PHE 75 H PHE 75 3.959 10.665 2.294 525 HA PHE 75 HA PHE 75 4.033 12.843 0.248 526 1HB PHE 75 1HB PHE 75 1.614 11.614 1.414 527 2HB PHE 75 2HB PHE 75 1.777 12.408 -0.135 528 HD1 PHE 75 HD1 PHE 75 3.368 11.201 -1.887 529 HD2 PHE 75 HD2 PHE 75 1.790 9.223 1.605 530 HE1 PHE 75 HE1 PHE 75 3.943 8.995 -2.860 531 HE2 PHE 75 HE2 PHE 75 2.259 7.028 0.582 532 HZ PHE 75 HZ PHE 75 3.333 6.900 -1.649 533 H LYS 76 H LYS 76 4.293 12.495 3.602 534 HA LYS 76 HA LYS 76 2.621 14.890 4.231 535 1HB LYS 76 1HB LYS 76 3.749 12.597 5.800 536 2HB LYS 76 2HB LYS 76 3.944 14.178 6.522 537 1HG LYS 76 1HG LYS 76 2.002 13.675 7.460 538 2HG LYS 76 2HG LYS 76 1.357 14.501 6.050 539 1HD LYS 76 1HD LYS 76 1.740 11.494 6.357 540 2HD LYS 76 2HD LYS 76 0.236 12.305 6.745 541 1HE LYS 76 1HE LYS 76 -0.382 12.637 4.554 542 2HE LYS 76 2HE LYS 76 1.270 12.724 3.956 543 1HZ LYS 76 1HZ LYS 76 0.001 10.236 4.891 544 2HZ LYS 76 2HZ LYS 76 0.128 10.678 3.319 545 3HZ LYS 76 3HZ LYS 76 1.498 10.392 4.228 546 H LYS 77 H LYS 77 5.965 13.694 3.951 547 HA LYS 77 HA LYS 77 7.081 16.458 4.173 548 1HB LYS 77 1HB LYS 77 6.952 15.673 6.432 549 2HB LYS 77 2HB LYS 77 7.688 14.146 5.951 550 1HG LYS 77 1HG LYS 77 9.659 15.776 5.017 551 2HG LYS 77 2HG LYS 77 8.852 16.976 6.006 552 1HD LYS 77 1HD LYS 77 10.732 15.860 7.133 553 2HD LYS 77 2HD LYS 77 9.177 15.691 7.973 554 1HE LYS 77 1HE LYS 77 10.738 13.568 7.817 555 2HE LYS 77 2HE LYS 77 9.012 13.396 7.551 556 1HZ LYS 77 1HZ LYS 77 9.478 13.529 5.119 557 2HZ LYS 77 2HZ LYS 77 11.077 13.401 5.447 558 3HZ LYS 77 3HZ LYS 77 9.998 12.221 5.907 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -7.058 1.724 7.726 2 2H ALA 1 2H ALA 1 -7.061 3.086 8.397 3 3H ALA 1 3H ALA 1 -8.051 2.786 7.284 4 HA ALA 1 HA ALA 1 -6.507 3.422 5.578 5 1HB ALA 1 1HB ALA 1 -4.691 3.709 7.982 6 2HB ALA 1 2HB ALA 1 -4.311 4.247 6.326 7 3HB ALA 1 3HB ALA 1 -5.670 4.979 7.219 8 H TYR 2 H TYR 2 -5.682 1.965 4.121 9 HA TYR 2 HA TYR 2 -4.324 -0.479 5.120 10 1HB TYR 2 1HB TYR 2 -5.484 0.340 2.427 11 2HB TYR 2 2HB TYR 2 -4.527 -1.106 2.671 12 HD1 TYR 2 HD1 TYR 2 -7.777 0.503 3.434 13 HD2 TYR 2 HD2 TYR 2 -5.395 -3.071 3.824 14 HE1 TYR 2 HE1 TYR 2 -9.838 -0.848 3.738 15 HE2 TYR 2 HE2 TYR 2 -7.462 -4.421 4.032 16 HH TYR 2 HH TYR 2 -9.795 -4.274 3.297 17 H VAL 3 H VAL 3 -2.267 -1.031 4.508 18 HA VAL 3 HA VAL 3 -0.705 0.874 2.850 19 HB VAL 3 HB VAL 3 0.085 -0.081 5.638 20 1HG1 VAL 3 1HG1 VAL 3 1.613 1.309 3.420 21 2HG1 VAL 3 2HG1 VAL 3 2.081 1.497 5.113 22 3HG1 VAL 3 3HG1 VAL 3 2.102 -0.109 4.377 23 1HG2 VAL 3 1HG2 VAL 3 -0.466 2.672 4.437 24 2HG2 VAL 3 2HG2 VAL 3 -1.446 1.848 5.674 25 3HG2 VAL 3 3HG2 VAL 3 0.184 2.397 6.064 26 H ILE 4 H ILE 4 0.929 0.053 1.712 27 HA ILE 4 HA ILE 4 0.979 -2.816 1.093 28 HB ILE 4 HB ILE 4 2.328 -0.331 -0.059 29 1HG1 ILE 4 1HG1 ILE 4 0.348 -2.228 -1.344 30 2HG1 ILE 4 2HG1 ILE 4 -0.200 -0.820 -0.419 31 1HG2 ILE 4 1HG2 ILE 4 2.526 -3.252 -0.878 32 2HG2 ILE 4 2HG2 ILE 4 3.040 -1.912 -1.916 33 3HG2 ILE 4 3HG2 ILE 4 3.876 -2.198 -0.400 34 1HD1 ILE 4 1HD1 ILE 4 1.027 0.634 -2.016 35 2HD1 ILE 4 2HD1 ILE 4 1.451 -0.822 -2.959 36 3HD1 ILE 4 3HD1 ILE 4 -0.239 -0.350 -2.775 37 H THR 5 H THR 5 2.765 -4.172 1.473 38 HA THR 5 HA THR 5 5.063 -3.031 2.978 39 HB THR 5 HB THR 5 4.959 -5.000 4.492 40 HG1 THR 5 HG1 THR 5 2.424 -5.438 3.243 41 1HG2 THR 5 1HG2 THR 5 4.029 -2.796 5.164 42 2HG2 THR 5 2HG2 THR 5 2.424 -3.323 4.601 43 3HG2 THR 5 3HG2 THR 5 3.238 -4.196 5.915 44 H GLU 6 H GLU 6 6.800 -4.449 3.137 45 HA GLU 6 HA GLU 6 8.353 -5.260 1.368 46 1HB GLU 6 1HB GLU 6 8.523 -5.542 3.729 47 2HB GLU 6 2HB GLU 6 7.735 -7.096 3.675 48 1HG GLU 6 1HG GLU 6 9.605 -8.080 2.774 49 2HG GLU 6 2HG GLU 6 10.079 -6.636 1.902 50 HA PRO 7 HA PRO 7 6.882 -9.438 -0.200 51 1HB PRO 7 1HB PRO 7 3.904 -9.410 0.277 52 2HB PRO 7 2HB PRO 7 5.022 -10.805 0.263 53 1HG PRO 7 1HG PRO 7 4.177 -9.805 2.635 54 2HG PRO 7 2HG PRO 7 5.918 -10.172 2.411 55 1HD PRO 7 1HD PRO 7 4.528 -7.502 2.072 56 2HD PRO 7 2HD PRO 7 5.924 -7.875 3.092 57 H CYS 8 H CYS 8 5.010 -6.491 -0.598 58 HA CYS 8 HA CYS 8 4.013 -6.933 -3.236 59 1HB CYS 8 1HB CYS 8 3.199 -5.096 -1.980 60 2HB CYS 8 2HB CYS 8 4.833 -4.531 -1.627 61 H ILE 9 H ILE 9 7.243 -6.090 -2.015 62 HA ILE 9 HA ILE 9 8.301 -4.539 -3.974 63 HB ILE 9 HB ILE 9 9.500 -6.347 -2.049 64 1HG1 ILE 9 1HG1 ILE 9 9.959 -3.416 -2.822 65 2HG1 ILE 9 2HG1 ILE 9 8.553 -3.942 -1.891 66 1HG2 ILE 9 1HG2 ILE 9 10.931 -5.954 -4.549 67 2HG2 ILE 9 2HG2 ILE 9 11.561 -4.813 -3.377 68 3HG2 ILE 9 3HG2 ILE 9 11.532 -6.538 -2.992 69 1HD1 ILE 9 1HD1 ILE 9 11.342 -4.589 -1.041 70 2HD1 ILE 9 2HD1 ILE 9 10.366 -3.193 -0.473 71 3HD1 ILE 9 3HD1 ILE 9 9.794 -4.865 -0.206 72 H GLY 10 H GLY 10 8.377 -4.607 -6.118 73 1HA GLY 10 1HA GLY 10 9.219 -6.793 -7.708 74 2HA GLY 10 2HA GLY 10 7.448 -6.835 -7.553 75 H THR 11 H THR 11 9.712 -5.863 -9.588 76 HA THR 11 HA THR 11 9.615 -3.264 -10.044 77 HB THR 11 HB THR 11 9.891 -5.384 -12.115 78 HG1 THR 11 HG1 THR 11 11.596 -4.359 -10.076 79 1HG2 THR 11 1HG2 THR 11 11.192 -2.633 -11.861 80 2HG2 THR 11 2HG2 THR 11 11.596 -3.863 -13.077 81 3HG2 THR 11 3HG2 THR 11 9.990 -3.111 -13.089 82 H LYS 12 H LYS 12 7.906 -2.081 -9.915 83 HA LYS 12 HA LYS 12 5.983 -1.032 -10.450 84 1HB LYS 12 1HB LYS 12 7.281 -1.341 -13.191 85 2HB LYS 12 2HB LYS 12 5.853 -0.353 -12.868 86 1HG LYS 12 1HG LYS 12 7.397 1.276 -12.592 87 2HG LYS 12 2HG LYS 12 7.266 0.698 -10.948 88 1HD LYS 12 1HD LYS 12 9.353 -0.795 -11.515 89 2HD LYS 12 2HD LYS 12 9.462 0.165 -12.987 90 1HE LYS 12 1HE LYS 12 10.968 1.132 -11.385 91 2HE LYS 12 2HE LYS 12 9.601 2.260 -11.521 92 1HZ LYS 12 1HZ LYS 12 9.900 0.197 -9.452 93 2HZ LYS 12 2HZ LYS 12 10.323 1.737 -9.160 94 3HZ LYS 12 3HZ LYS 12 8.753 1.423 -9.477 95 H CYS 13 H CYS 13 5.203 -3.288 -9.670 96 HA CYS 13 HA CYS 13 3.410 -4.774 -11.323 97 1HB CYS 13 1HB CYS 13 4.059 -5.594 -9.184 98 2HB CYS 13 2HB CYS 13 3.533 -4.074 -8.463 99 H ALA 14 H ALA 14 2.212 -3.374 -12.674 100 HA ALA 14 HA ALA 14 0.662 -1.203 -11.484 101 1HB ALA 14 1HB ALA 14 1.671 -0.938 -13.696 102 2HB ALA 14 2HB ALA 14 0.718 -2.300 -14.325 103 3HB ALA 14 3HB ALA 14 -0.097 -0.811 -13.795 104 H SER 15 H SER 15 -0.499 -2.606 -9.963 105 HA SER 15 HA SER 15 -3.053 -3.570 -11.225 106 1HB SER 15 1HB SER 15 -1.684 -4.946 -8.897 107 2HB SER 15 2HB SER 15 -3.251 -5.365 -9.601 108 HG SER 15 HG SER 15 -0.794 -5.322 -11.026 109 H CYS 16 H CYS 16 -1.667 -2.744 -7.966 110 HA CYS 16 HA CYS 16 -4.180 -1.470 -7.179 111 1HB CYS 16 1HB CYS 16 -2.992 -0.836 -5.180 112 2HB CYS 16 2HB CYS 16 -2.978 -2.590 -5.455 113 H VAL 17 H VAL 17 -4.055 -0.275 -9.292 114 HA VAL 17 HA VAL 17 -2.646 2.343 -8.961 115 HB VAL 17 HB VAL 17 -2.559 2.436 -11.452 116 1HG1 VAL 17 1HG1 VAL 17 -0.602 2.028 -10.067 117 2HG1 VAL 17 2HG1 VAL 17 -0.929 0.283 -10.063 118 3HG1 VAL 17 3HG1 VAL 17 -0.515 1.113 -11.579 119 1HG2 VAL 17 1HG2 VAL 17 -4.190 0.456 -11.842 120 2HG2 VAL 17 2HG2 VAL 17 -2.674 0.421 -12.759 121 3HG2 VAL 17 3HG2 VAL 17 -2.862 -0.601 -11.331 122 H GLU 18 H GLU 18 -4.601 2.635 -11.677 123 HA GLU 18 HA GLU 18 -6.141 4.549 -10.323 124 1HB GLU 18 1HB GLU 18 -7.129 4.997 -12.447 125 2HB GLU 18 2HB GLU 18 -5.381 4.815 -12.584 126 1HG GLU 18 1HG GLU 18 -7.179 2.438 -13.103 127 2HG GLU 18 2HG GLU 18 -7.034 3.707 -14.324 128 H VAL 19 H VAL 19 -6.729 1.782 -9.364 129 HA VAL 19 HA VAL 19 -9.645 1.523 -9.764 130 HB VAL 19 HB VAL 19 -9.430 -0.401 -8.261 131 1HG1 VAL 19 1HG1 VAL 19 -7.525 -0.377 -10.647 132 2HG1 VAL 19 2HG1 VAL 19 -8.015 -1.840 -9.782 133 3HG1 VAL 19 3HG1 VAL 19 -9.233 -0.857 -10.612 134 1HG2 VAL 19 1HG2 VAL 19 -7.512 0.314 -6.860 135 2HG2 VAL 19 2HG2 VAL 19 -7.270 -1.286 -7.559 136 3HG2 VAL 19 3HG2 VAL 19 -6.418 0.102 -8.245 137 H CYS 20 H CYS 20 -7.198 2.946 -7.616 138 HA CYS 20 HA CYS 20 -8.833 3.030 -5.334 139 1HB CYS 20 1HB CYS 20 -6.404 3.252 -5.265 140 2HB CYS 20 2HB CYS 20 -6.608 4.788 -6.111 141 HA PRO 21 HA PRO 21 -11.967 5.844 -6.717 142 1HB PRO 21 1HB PRO 21 -11.961 6.759 -3.830 143 2HB PRO 21 2HB PRO 21 -13.352 6.349 -4.869 144 1HG PRO 21 1HG PRO 21 -12.364 4.585 -3.021 145 2HG PRO 21 2HG PRO 21 -12.935 4.027 -4.619 146 1HD PRO 21 1HD PRO 21 -10.077 4.386 -3.705 147 2HD PRO 21 2HD PRO 21 -10.830 3.185 -4.804 148 H VAL 22 H VAL 22 -9.532 7.266 -4.495 149 HA VAL 22 HA VAL 22 -9.823 9.906 -5.892 150 HB VAL 22 HB VAL 22 -9.388 10.936 -3.683 151 1HG1 VAL 22 1HG1 VAL 22 -11.681 10.667 -4.618 152 2HG1 VAL 22 2HG1 VAL 22 -11.869 9.183 -3.662 153 3HG1 VAL 22 3HG1 VAL 22 -11.625 10.740 -2.848 154 1HG2 VAL 22 1HG2 VAL 22 -8.312 8.963 -2.563 155 2HG2 VAL 22 2HG2 VAL 22 -9.625 9.684 -1.621 156 3HG2 VAL 22 3HG2 VAL 22 -9.901 8.169 -2.494 157 H ASP 23 H ASP 23 -7.817 7.507 -6.043 158 HA ASP 23 HA ASP 23 -5.645 7.166 -6.345 159 1HB ASP 23 1HB ASP 23 -5.815 9.033 -7.922 160 2HB ASP 23 2HB ASP 23 -5.368 10.154 -6.608 161 H CYS 24 H CYS 24 -4.602 6.361 -4.684 162 HA CYS 24 HA CYS 24 -3.237 8.211 -2.749 163 1HB CYS 24 1HB CYS 24 -4.646 5.589 -2.196 164 2HB CYS 24 2HB CYS 24 -3.645 6.435 -0.998 165 HG CYS 24 HG CYS 24 -6.140 7.881 -2.520 166 H ILE 25 H ILE 25 -2.736 6.259 -5.319 167 HA ILE 25 HA ILE 25 -0.828 4.385 -3.989 168 HB ILE 25 HB ILE 25 -1.217 3.081 -6.227 169 1HG1 ILE 25 1HG1 ILE 25 -3.561 2.973 -6.828 170 2HG1 ILE 25 2HG1 ILE 25 -3.948 4.402 -5.879 171 1HG2 ILE 25 1HG2 ILE 25 -2.607 3.104 -3.604 172 2HG2 ILE 25 2HG2 ILE 25 -3.332 2.061 -4.822 173 3HG2 ILE 25 3HG2 ILE 25 -1.642 1.823 -4.376 174 1HD1 ILE 25 1HD1 ILE 25 -1.993 4.367 -8.237 175 2HD1 ILE 25 2HD1 ILE 25 -3.705 4.844 -8.343 176 3HD1 ILE 25 3HD1 ILE 25 -2.585 5.794 -7.379 177 H HIS 26 H HIS 26 1.179 4.945 -4.126 178 HA HIS 26 HA HIS 26 2.170 6.454 -6.502 179 1HB HIS 26 1HB HIS 26 2.720 6.646 -3.520 180 2HB HIS 26 2HB HIS 26 3.444 7.656 -4.778 181 HD1 HIS 26 HD1 HIS 26 1.052 8.688 -6.433 182 HD2 HIS 26 HD2 HIS 26 0.710 7.739 -2.372 183 HE1 HIS 26 HE1 HIS 26 -1.067 9.827 -5.609 184 H GLU 27 H GLU 27 4.613 6.206 -6.680 185 HA GLU 27 HA GLU 27 5.678 3.681 -5.467 186 1HB GLU 27 1HB GLU 27 6.632 5.208 -7.939 187 2HB GLU 27 2HB GLU 27 7.433 3.802 -7.204 188 1HG GLU 27 1HG GLU 27 5.385 2.479 -7.446 189 2HG GLU 27 2HG GLU 27 4.682 3.850 -8.314 190 H GLY 28 H GLY 28 8.061 3.881 -5.252 191 1HA GLY 28 1HA GLY 28 9.204 6.485 -4.588 192 2HA GLY 28 2HA GLY 28 9.092 5.354 -3.215 193 H GLU 29 H GLU 29 9.427 2.918 -4.533 194 HA GLU 29 HA GLU 29 12.204 3.091 -5.626 195 1HB GLU 29 1HB GLU 29 11.254 1.280 -3.348 196 2HB GLU 29 2HB GLU 29 12.815 1.218 -4.183 197 1HG GLU 29 1HG GLU 29 13.342 2.427 -2.296 198 2HG GLU 29 2HG GLU 29 13.040 3.735 -3.441 199 H ASP 30 H ASP 30 10.583 0.094 -4.785 200 HA ASP 30 HA ASP 30 9.661 -0.311 -7.509 201 1HB ASP 30 1HB ASP 30 12.273 -0.937 -7.110 202 2HB ASP 30 2HB ASP 30 11.569 -2.437 -6.502 203 H GLN 31 H GLN 31 8.033 0.102 -5.820 204 HA GLN 31 HA GLN 31 6.394 -2.210 -5.467 205 1HB GLN 31 1HB GLN 31 6.096 -1.592 -2.930 206 2HB GLN 31 2HB GLN 31 7.419 -2.630 -3.404 207 1HG GLN 31 1HG GLN 31 8.061 -0.905 -1.729 208 2HG GLN 31 2HG GLN 31 9.033 -0.890 -3.191 209 1HE2 GLN 31 2HE2 GLN 31 5.937 0.586 -2.131 210 2HE2 GLN 31 1HE2 GLN 31 6.355 2.203 -2.663 211 H TYR 32 H TYR 32 4.371 -1.113 -4.106 212 HA TYR 32 HA TYR 32 4.114 1.710 -5.026 213 1HB TYR 32 1HB TYR 32 2.128 -0.523 -5.127 214 2HB TYR 32 2HB TYR 32 1.553 1.086 -4.711 215 HD1 TYR 32 HD1 TYR 32 3.678 -0.650 -7.304 216 HD2 TYR 32 HD2 TYR 32 1.088 2.664 -6.368 217 HE1 TYR 32 HE1 TYR 32 3.988 0.249 -9.589 218 HE2 TYR 32 HE2 TYR 32 1.348 3.520 -8.674 219 HH TYR 32 HH TYR 32 3.936 2.517 -10.626 220 H TYR 33 H TYR 33 2.756 3.013 -3.608 221 HA TYR 33 HA TYR 33 2.894 2.351 -0.732 222 1HB TYR 33 1HB TYR 33 4.057 4.659 -2.364 223 2HB TYR 33 2HB TYR 33 3.502 5.005 -0.758 224 HD1 TYR 33 HD1 TYR 33 4.475 2.387 0.619 225 HD2 TYR 33 HD2 TYR 33 6.436 5.159 -2.028 226 HE1 TYR 33 HE1 TYR 33 6.629 1.580 1.391 227 HE2 TYR 33 HE2 TYR 33 8.584 4.025 -1.550 228 HH TYR 33 HH TYR 33 9.552 2.068 -0.444 229 H ILE 34 H ILE 34 0.939 2.664 0.146 230 HA ILE 34 HA ILE 34 -1.070 4.137 -1.370 231 HB ILE 34 HB ILE 34 -1.226 2.114 0.863 232 1HG1 ILE 34 1HG1 ILE 34 -2.897 2.270 -1.676 233 2HG1 ILE 34 2HG1 ILE 34 -1.323 1.477 -1.670 234 1HG2 ILE 34 1HG2 ILE 34 -3.365 4.112 0.033 235 2HG2 ILE 34 2HG2 ILE 34 -3.720 2.636 0.953 236 3HG2 ILE 34 3HG2 ILE 34 -2.698 3.863 1.658 237 1HD1 ILE 34 1HD1 ILE 34 -2.192 -0.004 0.202 238 2HD1 ILE 34 2HD1 ILE 34 -3.795 0.703 -0.066 239 3HD1 ILE 34 3HD1 ILE 34 -2.999 -0.170 -1.376 240 H ASP 35 H ASP 35 -1.414 6.341 -0.567 241 HA ASP 35 HA ASP 35 -0.115 7.164 1.874 242 1HB ASP 35 1HB ASP 35 -0.943 8.814 0.085 243 2HB ASP 35 2HB ASP 35 -2.555 8.564 0.799 244 HA PRO 36 HA PRO 36 -3.308 4.906 4.220 245 1HB PRO 36 1HB PRO 36 -2.428 5.430 6.777 246 2HB PRO 36 2HB PRO 36 -1.660 4.234 5.710 247 1HG PRO 36 1HG PRO 36 -0.807 7.076 6.263 248 2HG PRO 36 2HG PRO 36 0.227 5.620 6.180 249 1HD PRO 36 1HD PRO 36 -0.054 7.390 4.107 250 2HD PRO 36 2HD PRO 36 0.158 5.640 3.843 251 H ASP 37 H ASP 37 -2.387 8.298 4.568 252 HA ASP 37 HA ASP 37 -4.581 8.905 6.418 253 1HB ASP 37 1HB ASP 37 -2.511 10.720 5.178 254 2HB ASP 37 2HB ASP 37 -3.558 11.066 6.559 255 H VAL 38 H VAL 38 -3.749 9.110 2.936 256 HA VAL 38 HA VAL 38 -6.240 10.652 2.461 257 HB VAL 38 HB VAL 38 -4.396 9.492 0.371 258 1HG1 VAL 38 1HG1 VAL 38 -6.690 11.499 0.341 259 2HG1 VAL 38 2HG1 VAL 38 -5.469 11.432 -0.942 260 3HG1 VAL 38 3HG1 VAL 38 -6.513 10.042 -0.641 261 1HG2 VAL 38 1HG2 VAL 38 -3.283 11.218 1.944 262 2HG2 VAL 38 2HG2 VAL 38 -3.331 11.601 0.223 263 3HG2 VAL 38 3HG2 VAL 38 -4.484 12.369 1.340 264 H CYS 39 H CYS 39 -5.165 7.217 2.340 265 HA CYS 39 HA CYS 39 -7.357 6.214 0.886 266 1HB CYS 39 1HB CYS 39 -5.445 4.837 1.451 267 2HB CYS 39 2HB CYS 39 -5.831 4.990 3.172 268 H ILE 40 H ILE 40 -9.460 5.937 1.296 269 HA ILE 40 HA ILE 40 -10.558 6.673 3.974 270 HB ILE 40 HB ILE 40 -12.646 7.088 2.719 271 1HG1 ILE 40 1HG1 ILE 40 -10.973 6.760 0.175 272 2HG1 ILE 40 2HG1 ILE 40 -12.080 5.522 0.785 273 1HG2 ILE 40 1HG2 ILE 40 -10.975 8.876 3.226 274 2HG2 ILE 40 2HG2 ILE 40 -10.293 8.655 1.602 275 3HG2 ILE 40 3HG2 ILE 40 -11.963 9.211 1.802 276 1HD1 ILE 40 1HD1 ILE 40 -13.943 7.212 0.673 277 2HD1 ILE 40 2HD1 ILE 40 -12.815 8.315 -0.154 278 3HD1 ILE 40 3HD1 ILE 40 -13.236 6.760 -0.891 279 H ASP 41 H ASP 41 -9.427 4.066 3.515 280 HA ASP 41 HA ASP 41 -9.860 1.833 3.633 281 1HB ASP 41 1HB ASP 41 -11.758 3.062 5.654 282 2HB ASP 41 2HB ASP 41 -11.542 1.310 5.525 283 H CYS 42 H CYS 42 -11.036 2.793 1.353 284 HA CYS 42 HA CYS 42 -13.674 1.741 1.048 285 1HB CYS 42 1HB CYS 42 -13.535 2.380 -1.079 286 2HB CYS 42 2HB CYS 42 -12.328 3.461 -0.393 287 H GLY 43 H GLY 43 -10.562 0.214 1.067 288 1HA GLY 43 1HA GLY 43 -9.945 -1.985 0.900 289 2HA GLY 43 2HA GLY 43 -11.597 -2.446 0.462 290 H ALA 44 H ALA 44 -11.017 -3.665 -1.318 291 HA ALA 44 HA ALA 44 -11.089 -3.940 -3.580 292 1HB ALA 44 1HB ALA 44 -11.807 -1.312 -3.570 293 2HB ALA 44 2HB ALA 44 -10.283 -1.207 -4.468 294 3HB ALA 44 3HB ALA 44 -11.567 -2.279 -5.032 295 H CYS 45 H CYS 45 -8.497 -1.519 -2.993 296 HA CYS 45 HA CYS 45 -6.597 -2.546 -4.790 297 1HB CYS 45 1HB CYS 45 -4.972 -1.260 -3.537 298 2HB CYS 45 2HB CYS 45 -6.442 -0.386 -3.904 299 H GLU 46 H GLU 46 -6.945 -3.222 -1.329 300 HA GLU 46 HA GLU 46 -5.171 -5.257 -0.783 301 1HB GLU 46 1HB GLU 46 -7.296 -6.174 0.572 302 2HB GLU 46 2HB GLU 46 -6.445 -4.714 1.058 303 1HG GLU 46 1HG GLU 46 -8.149 -3.323 0.529 304 2HG GLU 46 2HG GLU 46 -8.642 -4.234 -0.913 305 H ALA 47 H ALA 47 -8.367 -5.739 -2.333 306 HA ALA 47 HA ALA 47 -7.941 -8.610 -2.602 307 1HB ALA 47 1HB ALA 47 -10.188 -7.633 -2.283 308 2HB ALA 47 2HB ALA 47 -10.049 -6.794 -3.844 309 3HB ALA 47 3HB ALA 47 -10.077 -8.569 -3.787 310 H VAL 48 H VAL 48 -7.493 -5.708 -4.624 311 HA VAL 48 HA VAL 48 -7.121 -7.105 -7.095 312 HB VAL 48 HB VAL 48 -6.426 -4.343 -6.101 313 1HG1 VAL 48 1HG1 VAL 48 -5.768 -5.464 -8.828 314 2HG1 VAL 48 2HG1 VAL 48 -5.802 -3.738 -8.396 315 3HG1 VAL 48 3HG1 VAL 48 -4.642 -4.805 -7.608 316 1HG2 VAL 48 1HG2 VAL 48 -8.650 -5.602 -7.634 317 2HG2 VAL 48 2HG2 VAL 48 -8.627 -4.137 -6.644 318 3HG2 VAL 48 3HG2 VAL 48 -8.051 -4.087 -8.310 319 H CYS 49 H CYS 49 -4.809 -6.276 -4.448 320 HA CYS 49 HA CYS 49 -2.552 -7.309 -5.938 321 1HB CYS 49 1HB CYS 49 -2.515 -5.846 -3.795 322 2HB CYS 49 2HB CYS 49 -2.736 -7.393 -2.949 323 HA PRO 50 HA PRO 50 -4.435 -11.440 -5.513 324 1HB PRO 50 1HB PRO 50 -2.926 -12.894 -7.251 325 2HB PRO 50 2HB PRO 50 -4.068 -11.636 -7.797 326 1HG PRO 50 1HG PRO 50 -1.076 -11.358 -7.380 327 2HG PRO 50 2HG PRO 50 -2.033 -10.883 -8.814 328 1HD PRO 50 1HD PRO 50 -1.345 -9.105 -6.835 329 2HD PRO 50 2HD PRO 50 -2.870 -8.995 -7.749 330 H VAL 51 H VAL 51 -1.842 -10.380 -3.991 331 HA VAL 51 HA VAL 51 -0.910 -12.969 -2.892 332 HB VAL 51 HB VAL 51 1.207 -12.258 -3.086 333 1HG1 VAL 51 1HG1 VAL 51 0.420 -11.559 -5.349 334 2HG1 VAL 51 2HG1 VAL 51 0.116 -9.919 -4.720 335 3HG1 VAL 51 3HG1 VAL 51 1.760 -10.561 -4.770 336 1HG2 VAL 51 1HG2 VAL 51 0.372 -9.450 -2.285 337 2HG2 VAL 51 2HG2 VAL 51 1.069 -10.692 -1.196 338 3HG2 VAL 51 3HG2 VAL 51 2.045 -10.014 -2.496 339 H SER 52 H SER 52 -2.488 -9.858 -2.361 340 HA SER 52 HA SER 52 -3.073 -8.699 -0.575 341 1HB SER 52 1HB SER 52 -3.865 -11.343 -0.099 342 2HB SER 52 2HB SER 52 -3.129 -10.876 1.429 343 HG SER 52 HG SER 52 -5.080 -9.367 -0.013 344 H ALA 53 H ALA 53 -0.668 -8.077 -1.041 345 HA ALA 53 HA ALA 53 1.115 -8.364 1.306 346 1HB ALA 53 1HB ALA 53 1.283 -6.628 -1.193 347 2HB ALA 53 2HB ALA 53 2.543 -6.786 0.046 348 3HB ALA 53 3HB ALA 53 2.103 -8.185 -0.942 349 H ILE 54 H ILE 54 -1.614 -6.557 0.445 350 HA ILE 54 HA ILE 54 -0.915 -4.088 1.841 351 HB ILE 54 HB ILE 54 -3.471 -4.978 0.468 352 1HG1 ILE 54 1HG1 ILE 54 -1.054 -3.498 -0.558 353 2HG1 ILE 54 2HG1 ILE 54 -1.652 -5.039 -1.165 354 1HG2 ILE 54 1HG2 ILE 54 -3.706 -3.120 2.094 355 2HG2 ILE 54 2HG2 ILE 54 -2.460 -2.202 1.228 356 3HG2 ILE 54 3HG2 ILE 54 -4.021 -2.572 0.453 357 1HD1 ILE 54 1HD1 ILE 54 -3.669 -3.964 -2.025 358 2HD1 ILE 54 2HD1 ILE 54 -3.048 -2.373 -1.540 359 3HD1 ILE 54 3HD1 ILE 54 -2.193 -3.323 -2.758 360 H TYR 55 H TYR 55 -1.473 -3.810 4.000 361 HA TYR 55 HA TYR 55 -3.643 -5.476 5.177 362 1HB TYR 55 1HB TYR 55 -0.848 -4.907 6.201 363 2HB TYR 55 2HB TYR 55 -2.119 -5.581 7.189 364 HD1 TYR 55 HD1 TYR 55 -3.260 -7.795 6.148 365 HD2 TYR 55 HD2 TYR 55 0.663 -6.344 5.094 366 HE1 TYR 55 HE1 TYR 55 -2.687 -10.012 5.199 367 HE2 TYR 55 HE2 TYR 55 1.232 -8.565 4.168 368 HH TYR 55 HH TYR 55 -0.570 -10.527 3.096 369 H HIS 56 H HIS 56 -4.254 -4.419 7.338 370 HA HIS 56 HA HIS 56 -4.512 -1.548 6.997 371 1HB HIS 56 1HB HIS 56 -6.012 -3.235 8.408 372 2HB HIS 56 2HB HIS 56 -4.784 -3.002 9.639 373 HD1 HIS 56 HD1 HIS 56 -5.279 -0.998 11.226 374 HD2 HIS 56 HD2 HIS 56 -7.003 -0.678 7.399 375 HE1 HIS 56 HE1 HIS 56 -6.544 1.208 11.185 376 H GLU 57 H GLU 57 -3.228 0.125 8.014 377 HA GLU 57 HA GLU 57 -0.619 -0.542 8.483 378 1HB GLU 57 1HB GLU 57 -0.400 1.643 9.495 379 2HB GLU 57 2HB GLU 57 -1.342 1.742 7.994 380 1HG GLU 57 1HG GLU 57 -3.339 1.936 9.250 381 2HG GLU 57 2HG GLU 57 -2.439 1.667 10.771 382 H ASP 58 H ASP 58 -3.117 -0.410 10.821 383 HA ASP 58 HA ASP 58 -1.609 -0.905 13.155 384 1HB ASP 58 1HB ASP 58 -4.042 -0.371 13.188 385 2HB ASP 58 2HB ASP 58 -4.358 -1.993 12.496 386 H PHE 59 H PHE 59 -2.586 -3.104 10.593 387 HA PHE 59 HA PHE 59 -2.243 -5.519 12.239 388 1HB PHE 59 1HB PHE 59 -2.872 -5.041 9.302 389 2HB PHE 59 2HB PHE 59 -2.770 -6.597 10.078 390 HD1 PHE 59 HD1 PHE 59 -4.356 -4.637 12.553 391 HD2 PHE 59 HD2 PHE 59 -5.074 -6.448 8.684 392 HE1 PHE 59 HE1 PHE 59 -6.762 -4.442 12.906 393 HE2 PHE 59 HE2 PHE 59 -7.512 -6.252 9.067 394 HZ PHE 59 HZ PHE 59 -8.367 -5.235 11.169 395 H VAL 60 H VAL 60 -0.477 -3.631 9.821 396 HA VAL 60 HA VAL 60 1.421 -5.560 9.076 397 HB VAL 60 HB VAL 60 1.594 -2.533 9.284 398 1HG1 VAL 60 1HG1 VAL 60 3.605 -4.542 8.203 399 2HG1 VAL 60 2HG1 VAL 60 3.618 -2.820 7.787 400 3HG1 VAL 60 3HG1 VAL 60 3.872 -3.310 9.460 401 1HG2 VAL 60 1HG2 VAL 60 1.224 -4.563 7.032 402 2HG2 VAL 60 2HG2 VAL 60 -0.002 -3.440 7.660 403 3HG2 VAL 60 3HG2 VAL 60 1.380 -2.827 6.769 404 HA PRO 61 HA PRO 61 3.427 -6.316 13.043 405 1HB PRO 61 1HB PRO 61 5.734 -7.059 11.232 406 2HB PRO 61 2HB PRO 61 5.129 -7.924 12.670 407 1HG PRO 61 1HG PRO 61 4.463 -8.794 10.186 408 2HG PRO 61 2HG PRO 61 3.212 -8.716 11.464 409 1HD PRO 61 1HD PRO 61 3.709 -6.751 9.224 410 2HD PRO 61 2HD PRO 61 2.170 -7.419 9.854 411 H GLU 62 H GLU 62 4.910 -5.182 14.414 412 HA GLU 62 HA GLU 62 5.556 -2.619 14.111 413 1HB GLU 62 1HB GLU 62 6.528 -5.050 15.659 414 2HB GLU 62 2HB GLU 62 7.284 -3.507 15.874 415 1HG GLU 62 1HG GLU 62 5.479 -3.926 17.547 416 2HG GLU 62 2HG GLU 62 5.214 -2.456 16.601 417 H GLU 63 H GLU 63 7.727 -5.394 13.312 418 HA GLU 63 HA GLU 63 10.061 -4.040 12.593 419 1HB GLU 63 1HB GLU 63 8.796 -6.366 11.098 420 2HB GLU 63 2HB GLU 63 10.495 -5.891 11.107 421 1HG GLU 63 1HG GLU 63 10.621 -7.555 12.645 422 2HG GLU 63 2HG GLU 63 10.191 -6.266 13.773 423 H TRP 64 H TRP 64 7.099 -4.575 10.704 424 HA TRP 64 HA TRP 64 8.141 -3.034 8.397 425 1HB TRP 64 1HB TRP 64 5.810 -4.906 8.804 426 2HB TRP 64 2HB TRP 64 6.018 -3.941 7.342 427 HD1 TRP 64 HD1 TRP 64 9.405 -4.753 7.684 428 HE1 TRP 64 HE1 TRP 64 10.041 -6.853 6.326 429 HE3 TRP 64 HE3 TRP 64 4.748 -6.836 7.034 430 HZ2 TRP 64 HZ2 TRP 64 8.799 -9.160 5.312 431 HZ3 TRP 64 HZ3 TRP 64 4.520 -8.944 5.758 432 HH2 TRP 64 HH2 TRP 64 6.557 -10.041 4.782 433 H LYS 65 H LYS 65 6.251 -2.341 11.264 434 HA LYS 65 HA LYS 65 4.567 -0.379 10.157 435 1HB LYS 65 1HB LYS 65 5.820 -0.885 12.859 436 2HB LYS 65 2HB LYS 65 4.979 0.556 12.526 437 1HG LYS 65 1HG LYS 65 2.994 -0.843 11.677 438 2HG LYS 65 2HG LYS 65 3.842 -2.235 12.364 439 1HD LYS 65 1HD LYS 65 3.685 -1.238 14.625 440 2HD LYS 65 2HD LYS 65 3.114 0.282 13.934 441 1HE LYS 65 1HE LYS 65 1.205 -0.803 14.867 442 2HE LYS 65 2HE LYS 65 1.045 -0.867 13.107 443 1HZ LYS 65 1HZ LYS 65 1.877 -3.169 13.253 444 2HZ LYS 65 2HZ LYS 65 1.898 -3.050 14.899 445 3HZ LYS 65 3HZ LYS 65 0.470 -2.961 14.053 446 H SER 66 H SER 66 8.069 -0.496 10.549 447 HA SER 66 HA SER 66 8.821 2.139 10.207 448 1HB SER 66 1HB SER 66 9.910 -0.143 8.596 449 2HB SER 66 2HB SER 66 10.765 1.301 9.161 450 HG SER 66 HG SER 66 10.163 -1.055 10.508 451 H TYR 67 H TYR 67 7.419 -0.106 7.739 452 HA TYR 67 HA TYR 67 7.631 1.791 5.569 453 1HB TYR 67 1HB TYR 67 5.854 -0.644 5.875 454 2HB TYR 67 2HB TYR 67 5.914 0.423 4.480 455 HD1 TYR 67 HD1 TYR 67 7.969 0.613 3.081 456 HD2 TYR 67 HD2 TYR 67 7.547 -2.398 6.133 457 HE1 TYR 67 HE1 TYR 67 9.674 -0.782 1.945 458 HE2 TYR 67 HE2 TYR 67 9.331 -3.741 5.052 459 HH TYR 67 HH TYR 67 10.759 -3.950 3.214 460 H ILE 68 H ILE 68 5.161 1.249 8.198 461 HA ILE 68 HA ILE 68 3.080 2.679 6.806 462 HB ILE 68 HB ILE 68 3.625 1.756 9.642 463 1HG1 ILE 68 1HG1 ILE 68 1.734 0.397 9.347 464 2HG1 ILE 68 2HG1 ILE 68 1.256 1.221 7.855 465 1HG2 ILE 68 1HG2 ILE 68 1.358 3.554 8.799 466 2HG2 ILE 68 2HG2 ILE 68 1.489 2.660 10.340 467 3HG2 ILE 68 3HG2 ILE 68 2.662 3.917 9.964 468 1HD1 ILE 68 1HD1 ILE 68 3.703 -0.542 8.153 469 2HD1 ILE 68 2HD1 ILE 68 2.146 -0.976 7.435 470 3HD1 ILE 68 3HD1 ILE 68 3.153 0.223 6.652 471 H GLN 69 H GLN 69 5.627 3.486 9.186 472 HA GLN 69 HA GLN 69 5.053 6.244 9.290 473 1HB GLN 69 1HB GLN 69 6.593 5.000 10.818 474 2HB GLN 69 2HB GLN 69 7.795 4.929 9.524 475 1HG GLN 69 1HG GLN 69 8.286 6.742 11.091 476 2HG GLN 69 2HG GLN 69 7.927 7.403 9.491 477 1HE2 GLN 69 2HE2 GLN 69 6.095 8.750 9.226 478 2HE2 GLN 69 1HE2 GLN 69 5.155 9.287 10.615 479 H LYS 70 H LYS 70 7.146 4.426 6.992 480 HA LYS 70 HA LYS 70 8.015 6.698 5.516 481 1HB LYS 70 1HB LYS 70 8.972 4.384 5.340 482 2HB LYS 70 2HB LYS 70 7.499 3.838 4.580 483 1HG LYS 70 1HG LYS 70 7.981 4.708 2.549 484 2HG LYS 70 2HG LYS 70 8.853 6.087 3.170 485 1HD LYS 70 1HD LYS 70 10.655 4.361 3.954 486 2HD LYS 70 2HD LYS 70 9.825 3.188 2.927 487 1HE LYS 70 1HE LYS 70 10.955 5.884 2.052 488 2HE LYS 70 2HE LYS 70 11.840 4.353 1.921 489 1HZ LYS 70 1HZ LYS 70 10.169 3.563 0.374 490 2HZ LYS 70 2HZ LYS 70 9.352 5.000 0.477 491 3HZ LYS 70 3HZ LYS 70 10.850 4.894 -0.180 492 H ASN 71 H ASN 71 5.294 4.537 4.966 493 HA ASN 71 HA ASN 71 4.290 5.747 2.642 494 1HB ASN 71 1HB ASN 71 3.040 4.110 4.817 495 2HB ASN 71 2HB ASN 71 2.018 4.846 3.601 496 1HD2 ASN 71 2HD2 ASN 71 4.672 2.524 3.968 497 2HD2 ASN 71 1HD2 ASN 71 4.229 1.598 2.543 498 H ARG 72 H ARG 72 3.748 6.558 6.119 499 HA ARG 72 HA ARG 72 1.697 8.476 5.868 500 1HB ARG 72 1HB ARG 72 2.603 7.311 7.884 501 2HB ARG 72 2HB ARG 72 3.989 8.345 7.861 502 1HG ARG 72 1HG ARG 72 2.971 10.053 8.831 503 2HG ARG 72 2HG ARG 72 1.614 10.021 7.691 504 1HD ARG 72 1HD ARG 72 1.986 8.079 9.996 505 2HD ARG 72 2HD ARG 72 0.951 9.522 10.055 506 HE ARG 72 HE ARG 72 -0.096 8.504 7.888 507 1HH1 ARG 72 1HH1 ARG 72 1.073 6.291 10.393 508 2HH1 ARG 72 2HH1 ARG 72 -0.392 5.337 10.411 509 1HH2 ARG 72 1HH2 ARG 72 -2.201 7.616 8.434 510 2HH2 ARG 72 2HH2 ARG 72 -2.222 5.960 9.083 511 H ASP 73 H ASP 73 5.229 8.684 6.213 512 HA ASP 73 HA ASP 73 5.497 11.459 6.193 513 1HB ASP 73 1HB ASP 73 6.969 9.798 7.296 514 2HB ASP 73 2HB ASP 73 7.297 9.030 5.739 515 H PHE 74 H PHE 74 5.987 9.081 3.595 516 HA PHE 74 HA PHE 74 7.367 10.422 1.712 517 1HB PHE 74 1HB PHE 74 5.343 8.340 1.663 518 2HB PHE 74 2HB PHE 74 5.301 9.370 0.242 519 HD1 PHE 74 HD1 PHE 74 8.383 8.412 2.150 520 HD2 PHE 74 HD2 PHE 74 6.091 8.049 -1.488 521 HE1 PHE 74 HE1 PHE 74 10.418 7.766 0.897 522 HE2 PHE 74 HE2 PHE 74 8.085 7.300 -2.674 523 HZ PHE 74 HZ PHE 74 10.250 6.998 -1.459 524 H PHE 75 H PHE 75 3.915 10.988 2.215 525 HA PHE 75 HA PHE 75 3.972 13.163 0.184 526 1HB PHE 75 1HB PHE 75 1.539 11.988 1.415 527 2HB PHE 75 2HB PHE 75 1.722 12.749 -0.150 528 HD1 PHE 75 HD1 PHE 75 3.234 11.492 -1.905 529 HD2 PHE 75 HD2 PHE 75 1.800 9.616 1.703 530 HE1 PHE 75 HE1 PHE 75 3.835 9.264 -2.808 531 HE2 PHE 75 HE2 PHE 75 2.291 7.400 0.758 532 HZ PHE 75 HZ PHE 75 3.357 7.207 -1.468 533 H LYS 76 H LYS 76 4.609 13.095 3.378 534 HA LYS 76 HA LYS 76 3.174 15.624 4.063 535 1HB LYS 76 1HB LYS 76 3.713 13.062 5.640 536 2HB LYS 76 2HB LYS 76 3.514 14.591 6.466 537 1HG LYS 76 1HG LYS 76 1.526 13.344 6.554 538 2HG LYS 76 2HG LYS 76 1.246 14.858 5.689 539 1HD LYS 76 1HD LYS 76 0.784 13.812 3.678 540 2HD LYS 76 2HD LYS 76 1.895 12.484 3.991 541 1HE LYS 76 1HE LYS 76 -0.245 12.263 5.923 542 2HE LYS 76 2HE LYS 76 -0.956 12.491 4.324 543 1HZ LYS 76 1HZ LYS 76 1.212 10.560 4.692 544 2HZ LYS 76 2HZ LYS 76 -0.340 10.175 5.125 545 3HZ LYS 76 3HZ LYS 76 -0.019 10.597 3.567 546 H LYS 77 H LYS 77 4.676 16.325 6.239 547 HA LYS 77 HA LYS 77 7.234 15.499 6.587 548 1HB LYS 77 1HB LYS 77 6.937 17.865 4.693 549 2HB LYS 77 2HB LYS 77 8.128 17.956 5.977 550 1HG LYS 77 1HG LYS 77 8.184 16.041 3.628 551 2HG LYS 77 2HG LYS 77 9.255 17.340 4.040 552 1HD LYS 77 1HD LYS 77 10.611 15.946 5.092 553 2HD LYS 77 2HD LYS 77 9.401 15.662 6.323 554 1HE LYS 77 1HE LYS 77 9.790 14.056 3.714 555 2HE LYS 77 2HE LYS 77 10.164 13.488 5.354 556 1HZ LYS 77 1HZ LYS 77 7.428 14.064 4.490 557 2HZ LYS 77 2HZ LYS 77 8.220 12.618 4.492 558 3HZ LYS 77 3HZ LYS 77 8.017 13.325 5.894 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -6.036 2.502 8.266 2 2H ALA 1 2H ALA 1 -5.767 3.992 8.382 3 3H ALA 1 3H ALA 1 -7.153 3.497 8.004 4 HA ALA 1 HA ALA 1 -6.629 3.365 5.702 5 1HB ALA 1 1HB ALA 1 -5.083 5.203 6.488 6 2HB ALA 1 2HB ALA 1 -3.759 4.010 6.389 7 3HB ALA 1 3HB ALA 1 -4.716 4.417 4.941 8 H TYR 2 H TYR 2 -5.439 2.073 4.081 9 HA TYR 2 HA TYR 2 -4.365 -0.499 5.152 10 1HB TYR 2 1HB TYR 2 -5.707 0.290 2.550 11 2HB TYR 2 2HB TYR 2 -4.731 -1.158 2.697 12 HD1 TYR 2 HD1 TYR 2 -7.780 0.521 4.067 13 HD2 TYR 2 HD2 TYR 2 -5.563 -3.164 3.709 14 HE1 TYR 2 HE1 TYR 2 -9.764 -0.760 4.819 15 HE2 TYR 2 HE2 TYR 2 -7.592 -4.438 4.313 16 HH TYR 2 HH TYR 2 -10.073 -4.031 4.144 17 H VAL 3 H VAL 3 -2.357 -1.163 4.544 18 HA VAL 3 HA VAL 3 -0.729 0.743 2.910 19 HB VAL 3 HB VAL 3 0.037 -0.362 5.645 20 1HG1 VAL 3 1HG1 VAL 3 1.444 1.404 3.602 21 2HG1 VAL 3 2HG1 VAL 3 1.906 1.381 5.302 22 3HG1 VAL 3 3HG1 VAL 3 2.052 -0.096 4.354 23 1HG2 VAL 3 1HG2 VAL 3 -0.795 2.384 4.640 24 2HG2 VAL 3 2HG2 VAL 3 -1.640 1.412 5.870 25 3HG2 VAL 3 3HG2 VAL 3 -0.063 2.116 6.233 26 H ILE 4 H ILE 4 1.014 0.067 1.878 27 HA ILE 4 HA ILE 4 1.396 -2.826 1.297 28 HB ILE 4 HB ILE 4 2.239 -0.258 -0.113 29 1HG1 ILE 4 1HG1 ILE 4 0.447 -2.506 -1.075 30 2HG1 ILE 4 2HG1 ILE 4 -0.208 -1.062 -0.286 31 1HG2 ILE 4 1HG2 ILE 4 3.978 -2.052 -0.361 32 2HG2 ILE 4 2HG2 ILE 4 2.717 -3.173 -0.901 33 3HG2 ILE 4 3HG2 ILE 4 3.133 -1.738 -1.864 34 1HD1 ILE 4 1HD1 ILE 4 0.788 0.335 -2.101 35 2HD1 ILE 4 2HD1 ILE 4 1.269 -1.154 -2.939 36 3HD1 ILE 4 3HD1 ILE 4 -0.441 -0.814 -2.653 37 H THR 5 H THR 5 3.189 -3.796 2.135 38 HA THR 5 HA THR 5 5.021 -2.152 3.779 39 HB THR 5 HB THR 5 5.247 -4.411 4.926 40 HG1 THR 5 HG1 THR 5 3.362 -5.796 4.311 41 1HG2 THR 5 1HG2 THR 5 3.670 -2.634 5.710 42 2HG2 THR 5 2HG2 THR 5 2.394 -3.328 4.683 43 3HG2 THR 5 3HG2 THR 5 3.077 -4.284 6.010 44 H GLU 6 H GLU 6 5.391 -5.389 2.609 45 HA GLU 6 HA GLU 6 8.083 -4.818 1.442 46 1HB GLU 6 1HB GLU 6 8.459 -5.135 3.625 47 2HB GLU 6 2HB GLU 6 7.410 -6.512 3.825 48 1HG GLU 6 1HG GLU 6 8.953 -7.893 2.533 49 2HG GLU 6 2HG GLU 6 9.916 -6.495 2.104 50 HA PRO 7 HA PRO 7 6.972 -8.871 -0.624 51 1HB PRO 7 1HB PRO 7 4.544 -10.180 -0.042 52 2HB PRO 7 2HB PRO 7 6.166 -10.606 0.544 53 1HG PRO 7 1HG PRO 7 3.968 -9.289 2.025 54 2HG PRO 7 2HG PRO 7 5.406 -10.150 2.633 55 1HD PRO 7 1HD PRO 7 5.005 -7.342 2.545 56 2HD PRO 7 2HD PRO 7 6.524 -8.220 2.912 57 H CYS 8 H CYS 8 6.813 -7.233 -2.003 58 HA CYS 8 HA CYS 8 4.639 -6.882 -3.796 59 1HB CYS 8 1HB CYS 8 3.485 -5.550 -2.181 60 2HB CYS 8 2HB CYS 8 4.993 -4.883 -1.561 61 H ILE 9 H ILE 9 7.461 -5.400 -2.163 62 HA ILE 9 HA ILE 9 8.462 -3.870 -4.232 63 HB ILE 9 HB ILE 9 9.655 -5.299 -1.871 64 1HG1 ILE 9 1HG1 ILE 9 10.249 -2.462 -2.047 65 2HG1 ILE 9 2HG1 ILE 9 8.622 -2.678 -2.567 66 1HG2 ILE 9 1HG2 ILE 9 11.413 -3.798 -3.834 67 2HG2 ILE 9 2HG2 ILE 9 11.849 -4.311 -2.196 68 3HG2 ILE 9 3HG2 ILE 9 11.501 -5.526 -3.427 69 1HD1 ILE 9 1HD1 ILE 9 9.577 -3.777 0.039 70 2HD1 ILE 9 2HD1 ILE 9 8.656 -2.269 -0.208 71 3HD1 ILE 9 3HD1 ILE 9 7.926 -3.819 -0.669 72 H GLY 10 H GLY 10 9.621 -4.145 -6.060 73 1HA GLY 10 1HA GLY 10 11.051 -6.212 -7.071 74 2HA GLY 10 2HA GLY 10 9.404 -6.829 -7.271 75 H THR 11 H THR 11 11.294 -3.842 -7.908 76 HA THR 11 HA THR 11 11.683 -2.623 -9.606 77 HB THR 11 HB THR 11 12.596 -4.614 -10.553 78 HG1 THR 11 HG1 THR 11 12.487 -2.517 -11.656 79 1HG2 THR 11 1HG2 THR 11 9.999 -4.968 -12.116 80 2HG2 THR 11 2HG2 THR 11 11.537 -5.761 -12.468 81 3HG2 THR 11 3HG2 THR 11 10.711 -6.118 -10.956 82 H LYS 12 H LYS 12 8.542 -4.172 -10.556 83 HA LYS 12 HA LYS 12 7.264 -1.703 -10.468 84 1HB LYS 12 1HB LYS 12 8.693 -1.616 -12.793 85 2HB LYS 12 2HB LYS 12 7.376 -2.631 -13.360 86 1HG LYS 12 1HG LYS 12 6.901 -0.325 -13.909 87 2HG LYS 12 2HG LYS 12 5.756 -0.841 -12.678 88 1HD LYS 12 1HD LYS 12 6.346 1.055 -11.563 89 2HD LYS 12 2HD LYS 12 7.834 0.208 -11.124 90 1HE LYS 12 1HE LYS 12 8.969 1.114 -13.119 91 2HE LYS 12 2HE LYS 12 7.514 2.066 -13.506 92 1HZ LYS 12 1HZ LYS 12 8.782 2.259 -10.876 93 2HZ LYS 12 2HZ LYS 12 9.397 3.134 -12.065 94 3HZ LYS 12 3HZ LYS 12 7.821 3.357 -11.605 95 H CYS 13 H CYS 13 5.017 -1.859 -10.795 96 HA CYS 13 HA CYS 13 3.812 -4.472 -11.327 97 1HB CYS 13 1HB CYS 13 4.576 -4.418 -8.908 98 2HB CYS 13 2HB CYS 13 3.545 -2.991 -8.764 99 H ALA 14 H ALA 14 1.390 -4.108 -11.119 100 HA ALA 14 HA ALA 14 0.282 -1.465 -11.108 101 1HB ALA 14 1HB ALA 14 0.801 -1.707 -13.546 102 2HB ALA 14 2HB ALA 14 -0.092 -3.244 -13.572 103 3HB ALA 14 3HB ALA 14 -0.946 -1.720 -13.241 104 H SER 15 H SER 15 -2.348 -2.102 -11.315 105 HA SER 15 HA SER 15 -3.966 -3.776 -10.952 106 1HB SER 15 1HB SER 15 -2.139 -5.084 -8.886 107 2HB SER 15 2HB SER 15 -3.800 -5.517 -9.254 108 HG SER 15 HG SER 15 -1.567 -5.705 -10.945 109 H CYS 16 H CYS 16 -2.033 -2.910 -7.975 110 HA CYS 16 HA CYS 16 -4.425 -1.782 -6.724 111 1HB CYS 16 1HB CYS 16 -2.925 -1.023 -5.000 112 2HB CYS 16 2HB CYS 16 -2.779 -2.784 -5.273 113 H VAL 17 H VAL 17 -3.846 -0.591 -9.373 114 HA VAL 17 HA VAL 17 -2.987 2.169 -8.581 115 HB VAL 17 HB VAL 17 -2.696 0.854 -11.249 116 1HG1 VAL 17 1HG1 VAL 17 -3.123 3.353 -11.289 117 2HG1 VAL 17 2HG1 VAL 17 -1.645 3.545 -10.324 118 3HG1 VAL 17 3HG1 VAL 17 -1.568 2.840 -11.951 119 1HG2 VAL 17 1HG2 VAL 17 -0.688 1.493 -9.088 120 2HG2 VAL 17 2HG2 VAL 17 -1.075 -0.103 -9.744 121 3HG2 VAL 17 3HG2 VAL 17 -0.254 1.086 -10.767 122 H GLU 18 H GLU 18 -4.748 0.660 -11.273 123 HA GLU 18 HA GLU 18 -6.400 2.966 -11.619 124 1HB GLU 18 1HB GLU 18 -7.229 1.707 -13.534 125 2HB GLU 18 2HB GLU 18 -5.465 1.732 -13.463 126 1HG GLU 18 1HG GLU 18 -6.884 -0.586 -12.167 127 2HG GLU 18 2HG GLU 18 -6.865 -0.503 -13.928 128 H VAL 19 H VAL 19 -6.907 1.588 -9.077 129 HA VAL 19 HA VAL 19 -9.847 1.123 -9.362 130 HB VAL 19 HB VAL 19 -8.532 -0.998 -9.190 131 1HG1 VAL 19 1HG1 VAL 19 -6.743 -0.245 -7.650 132 2HG1 VAL 19 2HG1 VAL 19 -7.934 -0.103 -6.335 133 3HG1 VAL 19 3HG1 VAL 19 -7.587 -1.681 -7.055 134 1HG2 VAL 19 1HG2 VAL 19 -10.519 -0.379 -6.983 135 2HG2 VAL 19 2HG2 VAL 19 -10.862 -0.996 -8.606 136 3HG2 VAL 19 3HG2 VAL 19 -9.986 -2.004 -7.441 137 H CYS 20 H CYS 20 -7.223 2.649 -7.466 138 HA CYS 20 HA CYS 20 -8.748 2.710 -5.115 139 1HB CYS 20 1HB CYS 20 -6.339 2.784 -5.043 140 2HB CYS 20 2HB CYS 20 -6.425 4.273 -5.990 141 HA PRO 21 HA PRO 21 -11.222 6.436 -6.050 142 1HB PRO 21 1HB PRO 21 -12.137 6.724 -3.391 143 2HB PRO 21 2HB PRO 21 -12.951 5.835 -4.703 144 1HG PRO 21 1HG PRO 21 -11.515 4.751 -2.364 145 2HG PRO 21 2HG PRO 21 -12.637 3.933 -3.480 146 1HD PRO 21 1HD PRO 21 -9.738 3.833 -3.461 147 2HD PRO 21 2HD PRO 21 -10.859 3.007 -4.589 148 H VAL 22 H VAL 22 -10.103 8.291 -6.223 149 HA VAL 22 HA VAL 22 -9.037 10.174 -5.741 150 HB VAL 22 HB VAL 22 -8.744 9.452 -2.808 151 1HG1 VAL 22 1HG1 VAL 22 -7.538 11.544 -3.633 152 2HG1 VAL 22 2HG1 VAL 22 -9.106 12.159 -4.167 153 3HG1 VAL 22 3HG1 VAL 22 -8.796 11.845 -2.449 154 1HG2 VAL 22 1HG2 VAL 22 -11.125 10.738 -4.233 155 2HG2 VAL 22 2HG2 VAL 22 -11.160 9.214 -3.324 156 3HG2 VAL 22 3HG2 VAL 22 -10.882 10.727 -2.476 157 H ASP 23 H ASP 23 -7.841 7.623 -6.504 158 HA ASP 23 HA ASP 23 -5.807 6.651 -6.872 159 1HB ASP 23 1HB ASP 23 -5.411 9.579 -7.599 160 2HB ASP 23 2HB ASP 23 -4.562 8.203 -8.314 161 H CYS 24 H CYS 24 -5.664 7.081 -4.067 162 HA CYS 24 HA CYS 24 -3.167 8.523 -3.527 163 1HB CYS 24 1HB CYS 24 -3.611 8.233 -1.257 164 2HB CYS 24 2HB CYS 24 -5.113 8.733 -2.058 165 HG CYS 24 HG CYS 24 -4.136 5.719 -1.088 166 H ILE 25 H ILE 25 -2.610 6.568 -5.265 167 HA ILE 25 HA ILE 25 -0.920 4.677 -3.748 168 HB ILE 25 HB ILE 25 -1.304 3.173 -5.925 169 1HG1 ILE 25 1HG1 ILE 25 -3.710 2.944 -6.382 170 2HG1 ILE 25 2HG1 ILE 25 -4.069 4.414 -5.500 171 1HG2 ILE 25 1HG2 ILE 25 -3.099 3.266 -3.479 172 2HG2 ILE 25 2HG2 ILE 25 -2.911 1.834 -4.492 173 3HG2 ILE 25 3HG2 ILE 25 -1.516 2.454 -3.610 174 1HD1 ILE 25 1HD1 ILE 25 -2.249 4.355 -7.954 175 2HD1 ILE 25 2HD1 ILE 25 -3.993 4.691 -8.016 176 3HD1 ILE 25 3HD1 ILE 25 -2.923 5.792 -7.159 177 H HIS 26 H HIS 26 1.137 5.094 -4.145 178 HA HIS 26 HA HIS 26 1.872 6.827 -6.453 179 1HB HIS 26 1HB HIS 26 2.805 6.661 -3.565 180 2HB HIS 26 2HB HIS 26 3.342 7.838 -4.777 181 HD1 HIS 26 HD1 HIS 26 0.928 9.256 -5.826 182 HD2 HIS 26 HD2 HIS 26 0.800 7.339 -2.094 183 HE1 HIS 26 HE1 HIS 26 -1.159 10.119 -4.645 184 H GLU 27 H GLU 27 3.880 6.403 -7.404 185 HA GLU 27 HA GLU 27 5.072 3.832 -6.834 186 1HB GLU 27 1HB GLU 27 5.839 6.017 -8.780 187 2HB GLU 27 2HB GLU 27 6.799 4.553 -8.528 188 1HG GLU 27 1HG GLU 27 4.949 3.104 -9.070 189 2HG GLU 27 2HG GLU 27 3.904 4.508 -9.312 190 H GLY 28 H GLY 28 6.820 3.366 -5.662 191 1HA GLY 28 1HA GLY 28 8.585 5.559 -4.578 192 2HA GLY 28 2HA GLY 28 8.375 3.961 -3.846 193 H GLU 29 H GLU 29 8.482 4.791 -7.246 194 HA GLU 29 HA GLU 29 9.508 4.206 -9.055 195 1HB GLU 29 1HB GLU 29 11.548 5.186 -8.111 196 2HB GLU 29 2HB GLU 29 11.981 3.638 -7.363 197 1HG GLU 29 1HG GLU 29 13.215 4.005 -9.454 198 2HG GLU 29 2HG GLU 29 12.158 2.600 -9.610 199 H ASP 30 H ASP 30 10.556 1.931 -6.559 200 HA ASP 30 HA ASP 30 10.692 -0.309 -8.368 201 1HB ASP 30 1HB ASP 30 12.119 -0.203 -6.427 202 2HB ASP 30 2HB ASP 30 10.722 -0.152 -5.335 203 H GLN 31 H GLN 31 8.007 1.016 -6.501 204 HA GLN 31 HA GLN 31 6.193 -1.119 -7.288 205 1HB GLN 31 1HB GLN 31 5.667 -1.517 -4.758 206 2HB GLN 31 2HB GLN 31 7.036 -2.336 -5.482 207 1HG GLN 31 1HG GLN 31 7.249 -1.305 -3.178 208 2HG GLN 31 2HG GLN 31 8.566 -1.007 -4.339 209 1HE2 GLN 31 2HE2 GLN 31 5.474 0.421 -3.263 210 2HE2 GLN 31 1HE2 GLN 31 6.098 2.066 -3.143 211 H TYR 32 H TYR 32 4.010 -0.614 -6.194 212 HA TYR 32 HA TYR 32 3.610 2.319 -5.968 213 1HB TYR 32 1HB TYR 32 1.739 0.010 -6.471 214 2HB TYR 32 2HB TYR 32 1.154 1.540 -5.842 215 HD1 TYR 32 HD1 TYR 32 2.997 0.027 -8.737 216 HD2 TYR 32 HD2 TYR 32 0.916 3.480 -7.199 217 HE1 TYR 32 HE1 TYR 32 3.103 1.106 -10.972 218 HE2 TYR 32 HE2 TYR 32 0.910 4.482 -9.464 219 HH TYR 32 HH TYR 32 2.962 3.661 -11.800 220 H TYR 33 H TYR 33 2.753 3.177 -4.117 221 HA TYR 33 HA TYR 33 2.559 1.669 -1.602 222 1HB TYR 33 1HB TYR 33 4.651 3.439 -2.609 223 2HB TYR 33 2HB TYR 33 3.778 4.332 -1.409 224 HD1 TYR 33 HD1 TYR 33 4.344 0.574 -1.410 225 HD2 TYR 33 HD2 TYR 33 5.725 4.357 0.113 226 HE1 TYR 33 HE1 TYR 33 5.784 -0.595 0.064 227 HE2 TYR 33 HE2 TYR 33 7.102 3.130 1.788 228 HH TYR 33 HH TYR 33 7.221 -0.468 1.900 229 H ILE 34 H ILE 34 0.840 2.198 -0.428 230 HA ILE 34 HA ILE 34 -1.049 4.077 -1.503 231 HB ILE 34 HB ILE 34 -0.993 2.214 0.887 232 1HG1 ILE 34 1HG1 ILE 34 -2.812 2.146 -1.560 233 2HG1 ILE 34 2HG1 ILE 34 -1.273 1.305 -1.517 234 1HG2 ILE 34 1HG2 ILE 34 -3.104 4.239 0.092 235 2HG2 ILE 34 2HG2 ILE 34 -3.487 2.824 1.084 236 3HG2 ILE 34 3HG2 ILE 34 -2.336 4.005 1.677 237 1HD1 ILE 34 1HD1 ILE 34 -2.065 0.072 0.537 238 2HD1 ILE 34 2HD1 ILE 34 -3.671 0.774 0.264 239 3HD1 ILE 34 3HD1 ILE 34 -2.945 -0.270 -0.966 240 H ASP 35 H ASP 35 -1.594 6.152 -0.547 241 HA ASP 35 HA ASP 35 0.226 7.210 1.523 242 1HB ASP 35 1HB ASP 35 -0.704 8.705 -0.280 243 2HB ASP 35 2HB ASP 35 -2.280 8.541 0.553 244 HA PRO 36 HA PRO 36 -2.814 5.249 4.274 245 1HB PRO 36 1HB PRO 36 -1.240 5.727 6.588 246 2HB PRO 36 2HB PRO 36 -1.387 4.199 5.716 247 1HG PRO 36 1HG PRO 36 0.869 5.996 5.941 248 2HG PRO 36 2HG PRO 36 0.735 4.522 4.947 249 1HD PRO 36 1HD PRO 36 0.445 7.389 4.125 250 2HD PRO 36 2HD PRO 36 0.823 5.969 3.151 251 H ASP 37 H ASP 37 -1.800 8.499 4.190 252 HA ASP 37 HA ASP 37 -3.690 9.336 6.357 253 1HB ASP 37 1HB ASP 37 -1.720 10.497 6.573 254 2HB ASP 37 2HB ASP 37 -1.471 10.658 4.845 255 H VAL 38 H VAL 38 -3.193 9.366 2.750 256 HA VAL 38 HA VAL 38 -5.721 10.876 2.524 257 HB VAL 38 HB VAL 38 -3.982 9.776 0.318 258 1HG1 VAL 38 1HG1 VAL 38 -6.291 11.742 0.337 259 2HG1 VAL 38 2HG1 VAL 38 -5.211 11.446 -1.044 260 3HG1 VAL 38 3HG1 VAL 38 -6.265 10.151 -0.457 261 1HG2 VAL 38 1HG2 VAL 38 -2.886 11.534 1.794 262 2HG2 VAL 38 2HG2 VAL 38 -3.157 12.064 0.130 263 3HG2 VAL 38 3HG2 VAL 38 -4.240 12.610 1.430 264 H CYS 39 H CYS 39 -4.720 7.439 2.212 265 HA CYS 39 HA CYS 39 -7.020 6.475 0.916 266 1HB CYS 39 1HB CYS 39 -5.118 5.038 1.320 267 2HB CYS 39 2HB CYS 39 -5.291 5.293 3.049 268 H ILE 40 H ILE 40 -9.081 6.425 1.414 269 HA ILE 40 HA ILE 40 -9.992 7.336 4.060 270 HB ILE 40 HB ILE 40 -12.183 7.505 2.919 271 1HG1 ILE 40 1HG1 ILE 40 -10.718 6.762 0.334 272 2HG1 ILE 40 2HG1 ILE 40 -11.712 5.620 1.247 273 1HG2 ILE 40 1HG2 ILE 40 -10.541 9.374 2.968 274 2HG2 ILE 40 2HG2 ILE 40 -9.933 8.862 1.381 275 3HG2 ILE 40 3HG2 ILE 40 -11.604 9.427 1.557 276 1HD1 ILE 40 1HD1 ILE 40 -13.647 7.227 1.023 277 2HD1 ILE 40 2HD1 ILE 40 -12.639 8.179 -0.098 278 3HD1 ILE 40 3HD1 ILE 40 -13.069 6.505 -0.490 279 H ASP 41 H ASP 41 -8.833 4.738 4.095 280 HA ASP 41 HA ASP 41 -9.207 2.526 4.586 281 1HB ASP 41 1HB ASP 41 -11.095 4.057 6.402 282 2HB ASP 41 2HB ASP 41 -10.904 2.305 6.537 283 H CYS 42 H CYS 42 -10.259 2.860 2.185 284 HA CYS 42 HA CYS 42 -12.941 1.636 2.154 285 1HB CYS 42 1HB CYS 42 -13.116 2.181 0.054 286 2HB CYS 42 2HB CYS 42 -11.917 3.396 0.453 287 H GLY 43 H GLY 43 -13.013 -0.236 0.356 288 1HA GLY 43 1HA GLY 43 -10.860 -2.255 0.863 289 2HA GLY 43 2HA GLY 43 -12.572 -2.694 0.917 290 H ALA 44 H ALA 44 -9.866 -2.069 -1.161 291 HA ALA 44 HA ALA 44 -11.354 -2.929 -3.502 292 1HB ALA 44 1HB ALA 44 -10.386 -0.039 -3.409 293 2HB ALA 44 2HB ALA 44 -10.928 -0.902 -4.857 294 3HB ALA 44 3HB ALA 44 -12.067 -0.589 -3.541 295 H CYS 45 H CYS 45 -8.396 -1.057 -2.665 296 HA CYS 45 HA CYS 45 -6.698 -2.344 -4.574 297 1HB CYS 45 1HB CYS 45 -4.905 -1.309 -3.348 298 2HB CYS 45 2HB CYS 45 -6.201 -0.187 -3.676 299 H GLU 46 H GLU 46 -7.379 -2.959 -1.095 300 HA GLU 46 HA GLU 46 -5.742 -5.244 -0.797 301 1HB GLU 46 1HB GLU 46 -7.349 -5.947 0.946 302 2HB GLU 46 2HB GLU 46 -6.754 -4.302 1.163 303 1HG GLU 46 1HG GLU 46 -8.817 -3.369 0.900 304 2HG GLU 46 2HG GLU 46 -9.306 -4.487 -0.387 305 H ALA 47 H ALA 47 -5.952 -7.346 -1.339 306 HA ALA 47 HA ALA 47 -6.597 -9.213 -2.348 307 1HB ALA 47 1HB ALA 47 -8.857 -8.604 -1.189 308 2HB ALA 47 2HB ALA 47 -9.410 -8.276 -2.849 309 3HB ALA 47 3HB ALA 47 -8.794 -9.884 -2.418 310 H VAL 48 H VAL 48 -6.932 -6.130 -3.966 311 HA VAL 48 HA VAL 48 -7.136 -7.368 -6.633 312 HB VAL 48 HB VAL 48 -6.837 -4.563 -5.603 313 1HG1 VAL 48 1HG1 VAL 48 -6.187 -5.435 -8.438 314 2HG1 VAL 48 2HG1 VAL 48 -6.538 -3.774 -7.919 315 3HG1 VAL 48 3HG1 VAL 48 -5.107 -4.599 -7.287 316 1HG2 VAL 48 1HG2 VAL 48 -9.064 -5.641 -6.014 317 2HG2 VAL 48 2HG2 VAL 48 -8.770 -4.218 -7.032 318 3HG2 VAL 48 3HG2 VAL 48 -8.612 -5.847 -7.719 319 H CYS 49 H CYS 49 -4.594 -6.260 -4.359 320 HA CYS 49 HA CYS 49 -2.428 -6.925 -6.121 321 1HB CYS 49 1HB CYS 49 -2.198 -5.696 -3.901 322 2HB CYS 49 2HB CYS 49 -2.431 -7.287 -3.134 323 HA PRO 50 HA PRO 50 -3.808 -11.223 -6.219 324 1HB PRO 50 1HB PRO 50 -1.605 -12.400 -7.475 325 2HB PRO 50 2HB PRO 50 -2.951 -11.561 -8.291 326 1HG PRO 50 1HG PRO 50 -0.216 -10.498 -7.615 327 2HG PRO 50 2HG PRO 50 -1.193 -10.210 -9.083 328 1HD PRO 50 1HD PRO 50 -0.993 -8.403 -7.037 329 2HD PRO 50 2HD PRO 50 -2.482 -8.564 -8.014 330 H VAL 51 H VAL 51 -0.838 -10.154 -4.749 331 HA VAL 51 HA VAL 51 -0.318 -12.676 -3.366 332 HB VAL 51 HB VAL 51 1.723 -11.874 -2.970 333 1HG1 VAL 51 1HG1 VAL 51 1.354 -11.223 -5.381 334 2HG1 VAL 51 2HG1 VAL 51 0.992 -9.565 -4.817 335 3HG1 VAL 51 3HG1 VAL 51 2.592 -10.270 -4.549 336 1HG2 VAL 51 1HG2 VAL 51 0.544 -9.151 -2.325 337 2HG2 VAL 51 2HG2 VAL 51 1.184 -10.376 -1.195 338 3HG2 VAL 51 3HG2 VAL 51 2.275 -9.536 -2.301 339 H SER 52 H SER 52 -2.253 -9.828 -2.865 340 HA SER 52 HA SER 52 -3.298 -8.895 -1.110 341 1HB SER 52 1HB SER 52 -3.412 -11.793 -0.195 342 2HB SER 52 2HB SER 52 -4.447 -10.480 0.393 343 HG SER 52 HG SER 52 -4.223 -11.018 -2.379 344 H ALA 53 H ALA 53 -0.725 -8.349 -0.869 345 HA ALA 53 HA ALA 53 0.228 -8.880 1.878 346 1HB ALA 53 1HB ALA 53 1.295 -7.146 -0.388 347 2HB ALA 53 2HB ALA 53 2.071 -7.336 1.197 348 3HB ALA 53 3HB ALA 53 1.892 -8.739 0.145 349 H ILE 54 H ILE 54 -1.799 -6.582 0.232 350 HA ILE 54 HA ILE 54 -1.238 -4.287 1.842 351 HB ILE 54 HB ILE 54 -3.738 -5.040 0.273 352 1HG1 ILE 54 1HG1 ILE 54 -1.427 -3.230 -0.456 353 2HG1 ILE 54 2HG1 ILE 54 -1.542 -4.887 -1.059 354 1HG2 ILE 54 1HG2 ILE 54 -4.091 -3.264 2.005 355 2HG2 ILE 54 2HG2 ILE 54 -2.751 -2.335 1.320 356 3HG2 ILE 54 3HG2 ILE 54 -4.243 -2.600 0.393 357 1HD1 ILE 54 1HD1 ILE 54 -3.637 -2.764 -1.668 358 2HD1 ILE 54 2HD1 ILE 54 -2.266 -3.172 -2.697 359 3HD1 ILE 54 3HD1 ILE 54 -3.493 -4.401 -2.341 360 H TYR 55 H TYR 55 -1.638 -4.134 4.033 361 HA TYR 55 HA TYR 55 -4.058 -5.458 5.157 362 1HB TYR 55 1HB TYR 55 -1.249 -5.218 6.279 363 2HB TYR 55 2HB TYR 55 -2.622 -5.751 7.211 364 HD1 TYR 55 HD1 TYR 55 -3.994 -7.718 5.531 365 HD2 TYR 55 HD2 TYR 55 0.243 -6.976 5.894 366 HE1 TYR 55 HE1 TYR 55 -3.516 -9.869 4.419 367 HE2 TYR 55 HE2 TYR 55 0.707 -9.179 4.872 368 HH TYR 55 HH TYR 55 -1.612 -10.765 3.013 369 H HIS 56 H HIS 56 -4.665 -4.425 7.208 370 HA HIS 56 HA HIS 56 -4.743 -1.558 6.969 371 1HB HIS 56 1HB HIS 56 -6.166 -3.504 8.398 372 2HB HIS 56 2HB HIS 56 -5.200 -2.776 9.670 373 HD1 HIS 56 HD1 HIS 56 -6.004 -0.293 10.432 374 HD2 HIS 56 HD2 HIS 56 -8.055 -2.101 7.222 375 HE1 HIS 56 HE1 HIS 56 -8.153 1.011 10.109 376 H GLU 57 H GLU 57 -3.572 0.060 8.114 377 HA GLU 57 HA GLU 57 -0.947 -0.542 8.670 378 1HB GLU 57 1HB GLU 57 -0.878 1.681 9.679 379 2HB GLU 57 2HB GLU 57 -1.831 1.709 8.179 380 1HG GLU 57 1HG GLU 57 -3.830 1.443 9.690 381 2HG GLU 57 2HG GLU 57 -2.710 1.767 11.033 382 H ASP 58 H ASP 58 -3.622 -0.453 10.927 383 HA ASP 58 HA ASP 58 -2.331 -1.038 13.286 384 1HB ASP 58 1HB ASP 58 -4.973 -2.173 12.312 385 2HB ASP 58 2HB ASP 58 -4.480 -1.906 13.985 386 H PHE 59 H PHE 59 -3.005 -3.168 10.582 387 HA PHE 59 HA PHE 59 -2.869 -5.650 12.177 388 1HB PHE 59 1HB PHE 59 -3.374 -5.013 9.244 389 2HB PHE 59 2HB PHE 59 -3.221 -6.619 9.895 390 HD1 PHE 59 HD1 PHE 59 -5.029 -4.650 12.310 391 HD2 PHE 59 HD2 PHE 59 -5.428 -6.736 8.543 392 HE1 PHE 59 HE1 PHE 59 -7.476 -4.609 12.540 393 HE2 PHE 59 HE2 PHE 59 -7.890 -6.706 8.803 394 HZ PHE 59 HZ PHE 59 -8.921 -5.625 10.790 395 H VAL 60 H VAL 60 -1.019 -3.791 9.760 396 HA VAL 60 HA VAL 60 0.902 -5.700 9.110 397 HB VAL 60 HB VAL 60 1.085 -2.682 9.360 398 1HG1 VAL 60 1HG1 VAL 60 3.169 -4.676 8.384 399 2HG1 VAL 60 2HG1 VAL 60 3.205 -2.949 7.999 400 3HG1 VAL 60 3HG1 VAL 60 3.356 -3.461 9.673 401 1HG2 VAL 60 1HG2 VAL 60 0.894 -4.673 7.044 402 2HG2 VAL 60 2HG2 VAL 60 -0.396 -3.593 7.611 403 3HG2 VAL 60 3HG2 VAL 60 1.036 -2.929 6.840 404 HA PRO 61 HA PRO 61 2.703 -6.582 13.140 405 1HB PRO 61 1HB PRO 61 5.097 -7.264 11.415 406 2HB PRO 61 2HB PRO 61 4.435 -8.172 12.803 407 1HG PRO 61 1HG PRO 61 3.871 -8.975 10.275 408 2HG PRO 61 2HG PRO 61 2.567 -8.924 11.502 409 1HD PRO 61 1HD PRO 61 3.156 -6.916 9.327 410 2HD PRO 61 2HD PRO 61 1.591 -7.582 9.894 411 H GLU 62 H GLU 62 4.090 -5.481 14.638 412 HA GLU 62 HA GLU 62 4.839 -2.925 14.434 413 1HB GLU 62 1HB GLU 62 5.638 -5.429 15.973 414 2HB GLU 62 2HB GLU 62 6.426 -3.917 16.272 415 1HG GLU 62 1HG GLU 62 4.528 -4.323 17.834 416 2HG GLU 62 2HG GLU 62 4.356 -2.821 16.917 417 H GLU 63 H GLU 63 6.930 -5.780 13.709 418 HA GLU 63 HA GLU 63 9.367 -4.558 13.167 419 1HB GLU 63 1HB GLU 63 8.039 -6.772 11.561 420 2HB GLU 63 2HB GLU 63 9.758 -6.379 11.608 421 1HG GLU 63 1HG GLU 63 9.774 -8.087 13.100 422 2HG GLU 63 2HG GLU 63 9.427 -6.792 14.250 423 H TRP 64 H TRP 64 6.476 -4.742 11.138 424 HA TRP 64 HA TRP 64 7.739 -3.242 8.904 425 1HB TRP 64 1HB TRP 64 5.366 -5.093 9.178 426 2HB TRP 64 2HB TRP 64 5.582 -4.067 7.767 427 HD1 TRP 64 HD1 TRP 64 8.977 -5.011 8.270 428 HE1 TRP 64 HE1 TRP 64 9.612 -6.905 6.661 429 HE3 TRP 64 HE3 TRP 64 4.297 -6.792 7.112 430 HZ2 TRP 64 HZ2 TRP 64 8.346 -9.095 5.362 431 HZ3 TRP 64 HZ3 TRP 64 4.069 -8.761 5.621 432 HH2 TRP 64 HH2 TRP 64 6.128 -9.870 4.698 433 H LYS 65 H LYS 65 5.738 -2.532 11.668 434 HA LYS 65 HA LYS 65 4.086 -0.561 10.500 435 1HB LYS 65 1HB LYS 65 5.206 -1.154 13.242 436 2HB LYS 65 2HB LYS 65 4.401 0.317 12.931 437 1HG LYS 65 1HG LYS 65 2.432 -1.015 11.946 438 2HG LYS 65 2HG LYS 65 3.232 -2.449 12.604 439 1HD LYS 65 1HD LYS 65 3.000 -1.546 14.900 440 2HD LYS 65 2HD LYS 65 2.473 0.008 14.250 441 1HE LYS 65 1HE LYS 65 0.530 -1.114 15.081 442 2HE LYS 65 2HE LYS 65 0.418 -1.055 13.319 443 1HZ LYS 65 1HZ LYS 65 1.226 -3.381 13.341 444 2HZ LYS 65 2HZ LYS 65 1.180 -3.359 14.992 445 3HZ LYS 65 3HZ LYS 65 -0.212 -3.204 14.101 446 H SER 66 H SER 66 7.538 -0.724 10.937 447 HA SER 66 HA SER 66 8.325 1.990 10.812 448 1HB SER 66 1HB SER 66 10.191 0.826 9.365 449 2HB SER 66 2HB SER 66 10.014 0.337 11.063 450 HG SER 66 HG SER 66 9.561 -1.629 10.317 451 H TYR 67 H TYR 67 7.189 -0.321 8.270 452 HA TYR 67 HA TYR 67 7.531 1.572 6.128 453 1HB TYR 67 1HB TYR 67 5.741 -0.863 6.225 454 2HB TYR 67 2HB TYR 67 6.083 0.139 4.819 455 HD1 TYR 67 HD1 TYR 67 8.632 0.463 4.190 456 HD2 TYR 67 HD2 TYR 67 7.061 -2.815 6.500 457 HE1 TYR 67 HE1 TYR 67 10.460 -1.000 3.368 458 HE2 TYR 67 HE2 TYR 67 8.946 -4.233 5.754 459 HH TYR 67 HH TYR 67 10.724 -4.448 4.339 460 H ILE 68 H ILE 68 4.835 1.067 8.507 461 HA ILE 68 HA ILE 68 2.880 2.494 6.924 462 HB ILE 68 HB ILE 68 3.229 1.689 9.835 463 1HG1 ILE 68 1HG1 ILE 68 1.361 0.341 9.535 464 2HG1 ILE 68 2HG1 ILE 68 0.910 1.108 8.010 465 1HG2 ILE 68 1HG2 ILE 68 1.075 3.503 8.767 466 2HG2 ILE 68 2HG2 ILE 68 1.071 2.675 10.349 467 3HG2 ILE 68 3HG2 ILE 68 2.309 3.877 10.003 468 1HD1 ILE 68 1HD1 ILE 68 3.325 -0.678 8.424 469 2HD1 ILE 68 2HD1 ILE 68 1.779 -1.105 7.671 470 3HD1 ILE 68 3HD1 ILE 68 2.836 0.048 6.880 471 H GLN 69 H GLN 69 5.244 3.311 9.481 472 HA GLN 69 HA GLN 69 4.735 6.072 9.444 473 1HB GLN 69 1HB GLN 69 6.142 4.813 11.129 474 2HB GLN 69 2HB GLN 69 7.447 4.767 9.936 475 1HG GLN 69 1HG GLN 69 7.844 6.577 11.470 476 2HG GLN 69 2HG GLN 69 7.455 7.279 9.897 477 1HE2 GLN 69 2HE2 GLN 69 5.415 8.399 9.638 478 2HE2 GLN 69 1HE2 GLN 69 4.495 8.880 11.060 479 H LYS 70 H LYS 70 7.051 4.156 7.451 480 HA LYS 70 HA LYS 70 8.102 6.376 6.074 481 1HB LYS 70 1HB LYS 70 9.095 4.035 6.076 482 2HB LYS 70 2HB LYS 70 7.780 3.548 5.014 483 1HG LYS 70 1HG LYS 70 9.702 3.930 3.607 484 2HG LYS 70 2HG LYS 70 8.516 5.154 3.312 485 1HD LYS 70 1HD LYS 70 10.160 6.330 5.323 486 2HD LYS 70 2HD LYS 70 11.263 5.368 4.359 487 1HE LYS 70 1HE LYS 70 11.214 7.551 3.372 488 2HE LYS 70 2HE LYS 70 10.342 6.475 2.273 489 1HZ LYS 70 1HZ LYS 70 8.261 7.377 3.473 490 2HZ LYS 70 2HZ LYS 70 9.267 8.506 4.114 491 3HZ LYS 70 3HZ LYS 70 9.081 8.419 2.500 492 H ASN 71 H ASN 71 5.463 4.235 5.217 493 HA ASN 71 HA ASN 71 4.691 5.319 2.706 494 1HB ASN 71 1HB ASN 71 3.229 3.801 4.819 495 2HB ASN 71 2HB ASN 71 2.354 4.526 3.491 496 1HD2 ASN 71 2HD2 ASN 71 4.696 1.990 4.210 497 2HD2 ASN 71 1HD2 ASN 71 4.260 1.055 2.774 498 H ARG 72 H ARG 72 3.785 6.322 6.063 499 HA ARG 72 HA ARG 72 1.891 8.357 5.391 500 1HB ARG 72 1HB ARG 72 2.417 7.154 7.528 501 2HB ARG 72 2HB ARG 72 3.697 8.314 7.796 502 1HG ARG 72 1HG ARG 72 2.267 10.003 8.274 503 2HG ARG 72 2HG ARG 72 1.059 9.550 7.066 504 1HD ARG 72 1HD ARG 72 1.588 7.864 9.520 505 2HD ARG 72 2HD ARG 72 0.460 9.237 9.558 506 HE ARG 72 HE ARG 72 -0.364 7.790 7.371 507 1HH1 ARG 72 1HH1 ARG 72 0.412 6.432 10.554 508 2HH1 ARG 72 2HH1 ARG 72 -1.039 5.416 10.521 509 1HH2 ARG 72 1HH2 ARG 72 -2.675 6.802 7.862 510 2HH2 ARG 72 2HH2 ARG 72 -2.612 5.612 9.151 511 H ASP 73 H ASP 73 5.295 8.387 6.324 512 HA ASP 73 HA ASP 73 5.891 11.083 6.157 513 1HB ASP 73 1HB ASP 73 7.180 9.405 7.361 514 2HB ASP 73 2HB ASP 73 7.456 8.487 5.894 515 H PHE 74 H PHE 74 6.170 8.598 3.659 516 HA PHE 74 HA PHE 74 7.639 9.728 1.609 517 1HB PHE 74 1HB PHE 74 5.400 7.874 1.746 518 2HB PHE 74 2HB PHE 74 5.427 8.844 0.294 519 HD1 PHE 74 HD1 PHE 74 7.247 8.842 -1.312 520 HD2 PHE 74 HD2 PHE 74 6.888 5.959 1.848 521 HE1 PHE 74 HE1 PHE 74 8.705 7.278 -2.541 522 HE2 PHE 74 HE2 PHE 74 8.654 4.564 0.783 523 HZ PHE 74 HZ PHE 74 9.571 5.209 -1.387 524 H PHE 75 H PHE 75 4.204 10.381 2.218 525 HA PHE 75 HA PHE 75 4.252 12.537 0.184 526 1HB PHE 75 1HB PHE 75 1.889 11.380 1.556 527 2HB PHE 75 2HB PHE 75 1.940 12.198 0.000 528 HD1 PHE 75 HD1 PHE 75 3.565 11.001 -1.806 529 HD2 PHE 75 HD2 PHE 75 1.896 9.029 1.647 530 HE1 PHE 75 HE1 PHE 75 4.229 8.799 -2.729 531 HE2 PHE 75 HE2 PHE 75 2.453 6.827 0.660 532 HZ PHE 75 HZ PHE 75 3.614 6.704 -1.514 533 H LYS 76 H LYS 76 3.841 12.020 3.694 534 HA LYS 76 HA LYS 76 2.943 14.807 4.144 535 1HB LYS 76 1HB LYS 76 3.630 12.413 5.869 536 2HB LYS 76 2HB LYS 76 3.677 14.036 6.524 537 1HG LYS 76 1HG LYS 76 1.583 13.046 7.022 538 2HG LYS 76 2HG LYS 76 1.330 14.440 5.982 539 1HD LYS 76 1HD LYS 76 1.363 11.593 4.867 540 2HD LYS 76 2HD LYS 76 -0.045 12.279 5.682 541 1HE LYS 76 1HE LYS 76 -0.072 14.180 4.048 542 2HE LYS 76 2HE LYS 76 1.182 13.362 3.117 543 1HZ LYS 76 1HZ LYS 76 -0.423 11.469 2.860 544 2HZ LYS 76 2HZ LYS 76 -1.549 12.413 3.627 545 3HZ LYS 76 3HZ LYS 76 -0.895 12.829 2.193 546 H LYS 77 H LYS 77 4.708 15.810 2.820 547 HA LYS 77 HA LYS 77 7.150 16.227 4.333 548 1HB LYS 77 1HB LYS 77 7.262 13.997 2.927 549 2HB LYS 77 2HB LYS 77 7.182 15.038 1.529 550 1HG LYS 77 1HG LYS 77 9.491 14.471 1.934 551 2HG LYS 77 2HG LYS 77 9.241 16.193 2.204 552 1HD LYS 77 1HD LYS 77 10.752 15.299 3.841 553 2HD LYS 77 2HD LYS 77 9.312 15.873 4.652 554 1HE LYS 77 1HE LYS 77 9.868 12.909 3.981 555 2HE LYS 77 2HE LYS 77 10.286 13.687 5.508 556 1HZ LYS 77 1HZ LYS 77 7.707 14.189 5.535 557 2HZ LYS 77 2HZ LYS 77 7.688 12.929 4.521 558 3HZ LYS 77 3HZ LYS 77 8.374 12.732 5.971 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -6.049 2.774 7.971 2 2H ALA 1 2H ALA 1 -5.739 4.249 8.142 3 3H ALA 1 3H ALA 1 -7.099 3.815 7.625 4 HA ALA 1 HA ALA 1 -6.377 3.671 5.384 5 1HB ALA 1 1HB ALA 1 -4.890 5.531 5.957 6 2HB ALA 1 2HB ALA 1 -3.643 4.398 6.526 7 3HB ALA 1 3HB ALA 1 -4.109 4.413 4.812 8 H TYR 2 H TYR 2 -5.416 2.217 3.895 9 HA TYR 2 HA TYR 2 -4.336 -0.305 5.055 10 1HB TYR 2 1HB TYR 2 -5.786 0.387 2.497 11 2HB TYR 2 2HB TYR 2 -4.742 -1.018 2.583 12 HD1 TYR 2 HD1 TYR 2 -7.639 0.569 4.344 13 HD2 TYR 2 HD2 TYR 2 -5.521 -3.078 3.453 14 HE1 TYR 2 HE1 TYR 2 -9.367 -0.728 5.538 15 HE2 TYR 2 HE2 TYR 2 -7.226 -4.367 4.710 16 HH TYR 2 HH TYR 2 -9.999 -2.763 6.302 17 H VAL 3 H VAL 3 -2.292 -0.889 4.623 18 HA VAL 3 HA VAL 3 -0.675 0.864 2.809 19 HB VAL 3 HB VAL 3 -0.047 0.153 5.700 20 1HG1 VAL 3 1HG1 VAL 3 1.547 1.623 3.562 21 2HG1 VAL 3 2HG1 VAL 3 1.882 1.766 5.297 22 3HG1 VAL 3 3HG1 VAL 3 2.034 0.203 4.510 23 1HG2 VAL 3 1HG2 VAL 3 -0.720 2.794 4.315 24 2HG2 VAL 3 2HG2 VAL 3 -1.708 1.972 5.537 25 3HG2 VAL 3 3HG2 VAL 3 -0.141 2.648 5.986 26 H ILE 4 H ILE 4 0.934 -0.046 1.689 27 HA ILE 4 HA ILE 4 1.045 -2.879 1.320 28 HB ILE 4 HB ILE 4 2.484 -2.360 -0.414 29 1HG1 ILE 4 1HG1 ILE 4 4.198 -1.012 0.528 30 2HG1 ILE 4 2HG1 ILE 4 3.549 -0.210 -0.897 31 1HG2 ILE 4 1HG2 ILE 4 0.131 -1.559 -0.719 32 2HG2 ILE 4 2HG2 ILE 4 0.690 0.083 -0.418 33 3HG2 ILE 4 3HG2 ILE 4 1.329 -0.842 -1.790 34 1HD1 ILE 4 1HD1 ILE 4 2.234 1.316 0.634 35 2HD1 ILE 4 2HD1 ILE 4 3.081 0.565 2.007 36 3HD1 ILE 4 3HD1 ILE 4 3.996 1.433 0.775 37 H THR 5 H THR 5 3.392 -3.936 1.255 38 HA THR 5 HA THR 5 5.061 -2.912 3.481 39 HB THR 5 HB THR 5 5.102 -5.125 4.574 40 HG1 THR 5 HG1 THR 5 2.689 -5.711 3.190 41 1HG2 THR 5 1HG2 THR 5 3.729 -3.210 5.375 42 2HG2 THR 5 2HG2 THR 5 2.316 -3.924 4.557 43 3HG2 THR 5 3HG2 THR 5 3.132 -4.826 5.844 44 H GLU 6 H GLU 6 5.512 -6.155 2.676 45 HA GLU 6 HA GLU 6 8.140 -5.413 1.393 46 1HB GLU 6 1HB GLU 6 8.388 -5.674 3.634 47 2HB GLU 6 2HB GLU 6 7.548 -7.194 3.736 48 1HG GLU 6 1HG GLU 6 9.333 -8.328 2.686 49 2HG GLU 6 2HG GLU 6 9.978 -6.853 2.005 50 HA PRO 7 HA PRO 7 7.236 -9.654 -0.565 51 1HB PRO 7 1HB PRO 7 4.268 -9.927 -0.157 52 2HB PRO 7 2HB PRO 7 5.512 -11.208 -0.194 53 1HG PRO 7 1HG PRO 7 4.423 -10.401 2.175 54 2HG PRO 7 2HG PRO 7 6.178 -10.726 2.042 55 1HD PRO 7 1HD PRO 7 4.772 -8.045 1.928 56 2HD PRO 7 2HD PRO 7 6.211 -8.533 2.858 57 H CYS 8 H CYS 8 5.039 -6.959 -0.425 58 HA CYS 8 HA CYS 8 4.004 -6.829 -3.008 59 1HB CYS 8 1HB CYS 8 3.207 -5.324 -1.367 60 2HB CYS 8 2HB CYS 8 4.847 -4.863 -0.905 61 H ILE 9 H ILE 9 7.343 -6.058 -1.863 62 HA ILE 9 HA ILE 9 7.915 -4.408 -4.168 63 HB ILE 9 HB ILE 9 9.646 -5.629 -2.032 64 1HG1 ILE 9 1HG1 ILE 9 9.931 -2.786 -2.255 65 2HG1 ILE 9 2HG1 ILE 9 8.220 -3.084 -2.497 66 1HG2 ILE 9 1HG2 ILE 9 10.570 -3.991 -4.434 67 2HG2 ILE 9 2HG2 ILE 9 11.541 -4.323 -2.981 68 3HG2 ILE 9 3HG2 ILE 9 11.062 -5.654 -4.031 69 1HD1 ILE 9 1HD1 ILE 9 9.791 -4.286 -0.207 70 2HD1 ILE 9 2HD1 ILE 9 8.835 -2.793 -0.113 71 3HD1 ILE 9 3HD1 ILE 9 8.028 -4.330 -0.543 72 H GLY 10 H GLY 10 8.403 -5.127 -6.303 73 1HA GLY 10 1HA GLY 10 9.637 -7.775 -6.669 74 2HA GLY 10 2HA GLY 10 7.956 -7.569 -7.187 75 H THR 11 H THR 11 8.418 -7.787 -9.331 76 HA THR 11 HA THR 11 10.561 -6.369 -10.661 77 HB THR 11 HB THR 11 9.518 -7.867 -12.489 78 HG1 THR 11 HG1 THR 11 7.502 -8.116 -11.561 79 1HG2 THR 11 1HG2 THR 11 11.515 -8.483 -11.008 80 2HG2 THR 11 2HG2 THR 11 10.365 -9.359 -9.974 81 3HG2 THR 11 3HG2 THR 11 10.594 -9.848 -11.665 82 H LYS 12 H LYS 12 9.218 -4.333 -9.879 83 HA LYS 12 HA LYS 12 8.118 -2.495 -10.497 84 1HB LYS 12 1HB LYS 12 9.643 -2.605 -12.346 85 2HB LYS 12 2HB LYS 12 8.455 -3.457 -13.332 86 1HG LYS 12 1HG LYS 12 8.764 -0.993 -13.751 87 2HG LYS 12 2HG LYS 12 7.104 -1.519 -13.555 88 1HD LYS 12 1HD LYS 12 8.603 -0.444 -11.122 89 2HD LYS 12 2HD LYS 12 8.074 0.686 -12.351 90 1HE LYS 12 1HE LYS 12 5.908 0.585 -11.826 91 2HE LYS 12 2HE LYS 12 5.889 -1.159 -11.754 92 1HZ LYS 12 1HZ LYS 12 6.845 -0.901 -9.417 93 2HZ LYS 12 2HZ LYS 12 6.535 0.735 -9.636 94 3HZ LYS 12 3HZ LYS 12 5.333 -0.386 -9.683 95 H CYS 13 H CYS 13 6.306 -3.396 -9.273 96 HA CYS 13 HA CYS 13 4.161 -4.858 -10.624 97 1HB CYS 13 1HB CYS 13 4.548 -5.120 -8.230 98 2HB CYS 13 2HB CYS 13 4.179 -3.401 -8.031 99 H ALA 14 H ALA 14 2.149 -4.057 -11.225 100 HA ALA 14 HA ALA 14 1.402 -1.263 -10.884 101 1HB ALA 14 1HB ALA 14 1.689 -2.436 -13.688 102 2HB ALA 14 2HB ALA 14 0.894 -0.901 -13.277 103 3HB ALA 14 3HB ALA 14 2.635 -1.097 -13.006 104 H SER 15 H SER 15 -0.171 -2.254 -9.528 105 HA SER 15 HA SER 15 -2.483 -3.288 -11.056 106 1HB SER 15 1HB SER 15 -1.457 -4.817 -8.641 107 2HB SER 15 2HB SER 15 -2.885 -5.177 -9.613 108 HG SER 15 HG SER 15 -0.982 -5.001 -11.358 109 H CYS 16 H CYS 16 -1.407 -2.535 -7.664 110 HA CYS 16 HA CYS 16 -3.987 -1.337 -7.060 111 1HB CYS 16 1HB CYS 16 -2.953 -0.610 -5.005 112 2HB CYS 16 2HB CYS 16 -2.874 -2.364 -5.252 113 H VAL 17 H VAL 17 -3.919 -0.138 -9.105 114 HA VAL 17 HA VAL 17 -2.681 2.568 -8.792 115 HB VAL 17 HB VAL 17 -3.088 1.137 -11.384 116 1HG1 VAL 17 1HG1 VAL 17 -2.879 3.839 -11.082 117 2HG1 VAL 17 2HG1 VAL 17 -1.167 3.426 -10.975 118 3HG1 VAL 17 3HG1 VAL 17 -2.098 2.975 -12.415 119 1HG2 VAL 17 1HG2 VAL 17 -0.601 1.402 -9.682 120 2HG2 VAL 17 2HG2 VAL 17 -1.368 -0.090 -10.251 121 3HG2 VAL 17 3HG2 VAL 17 -0.571 0.980 -11.409 122 H GLU 18 H GLU 18 -4.632 2.371 -11.543 123 HA GLU 18 HA GLU 18 -6.384 4.332 -10.651 124 1HB GLU 18 1HB GLU 18 -7.342 4.071 -12.901 125 2HB GLU 18 2HB GLU 18 -5.582 3.947 -12.952 126 1HG GLU 18 1HG GLU 18 -6.081 1.308 -12.722 127 2HG GLU 18 2HG GLU 18 -7.669 1.793 -13.317 128 H VAL 19 H VAL 19 -6.661 1.432 -9.366 129 HA VAL 19 HA VAL 19 -9.545 0.922 -9.741 130 HB VAL 19 HB VAL 19 -9.153 -0.991 -8.286 131 1HG1 VAL 19 1HG1 VAL 19 -8.765 -1.156 -10.747 132 2HG1 VAL 19 2HG1 VAL 19 -7.036 -0.848 -10.482 133 3HG1 VAL 19 3HG1 VAL 19 -7.791 -2.307 -9.817 134 1HG2 VAL 19 1HG2 VAL 19 -7.362 -0.108 -6.813 135 2HG2 VAL 19 2HG2 VAL 19 -6.889 -1.635 -7.551 136 3HG2 VAL 19 3HG2 VAL 19 -6.219 -0.127 -8.173 137 H CYS 20 H CYS 20 -7.294 2.624 -7.606 138 HA CYS 20 HA CYS 20 -8.877 2.398 -5.290 139 1HB CYS 20 1HB CYS 20 -6.539 2.945 -5.148 140 2HB CYS 20 2HB CYS 20 -6.888 4.394 -6.092 141 HA PRO 21 HA PRO 21 -12.371 5.064 -6.346 142 1HB PRO 21 1HB PRO 21 -12.099 5.634 -3.376 143 2HB PRO 21 2HB PRO 21 -13.593 5.361 -4.318 144 1HG PRO 21 1HG PRO 21 -12.521 3.339 -2.866 145 2HG PRO 21 2HG PRO 21 -13.091 3.023 -4.532 146 1HD PRO 21 1HD PRO 21 -10.225 3.470 -3.625 147 2HD PRO 21 2HD PRO 21 -10.908 2.283 -4.785 148 H VAL 22 H VAL 22 -9.654 6.305 -4.384 149 HA VAL 22 HA VAL 22 -10.178 9.085 -5.369 150 HB VAL 22 HB VAL 22 -9.342 9.820 -3.104 151 1HG1 VAL 22 1HG1 VAL 22 -11.997 8.487 -3.565 152 2HG1 VAL 22 2HG1 VAL 22 -11.582 9.029 -1.933 153 3HG1 VAL 22 3HG1 VAL 22 -11.587 10.183 -3.276 154 1HG2 VAL 22 1HG2 VAL 22 -8.285 7.646 -2.448 155 2HG2 VAL 22 2HG2 VAL 22 -9.394 8.305 -1.236 156 3HG2 VAL 22 3HG2 VAL 22 -9.910 6.948 -2.248 157 H ASP 23 H ASP 23 -8.371 6.839 -6.328 158 HA ASP 23 HA ASP 23 -6.211 6.569 -7.001 159 1HB ASP 23 1HB ASP 23 -7.376 8.078 -8.585 160 2HB ASP 23 2HB ASP 23 -6.733 9.481 -7.709 161 H CYS 24 H CYS 24 -5.567 6.461 -4.584 162 HA CYS 24 HA CYS 24 -3.552 8.595 -3.948 163 1HB CYS 24 1HB CYS 24 -4.128 8.541 -1.739 164 2HB CYS 24 2HB CYS 24 -5.626 8.776 -2.648 165 HG CYS 24 HG CYS 24 -4.438 6.068 -1.156 166 H ILE 25 H ILE 25 -2.595 6.702 -5.419 167 HA ILE 25 HA ILE 25 -1.034 4.881 -3.666 168 HB ILE 25 HB ILE 25 -1.217 3.430 -5.951 169 1HG1 ILE 25 1HG1 ILE 25 -3.538 3.184 -6.620 170 2HG1 ILE 25 2HG1 ILE 25 -4.023 4.614 -5.726 171 1HG2 ILE 25 1HG2 ILE 25 -3.197 3.378 -3.649 172 2HG2 ILE 25 2HG2 ILE 25 -2.877 2.008 -4.725 173 3HG2 ILE 25 3HG2 ILE 25 -1.588 2.608 -3.680 174 1HD1 ILE 25 1HD1 ILE 25 -1.967 4.641 -7.995 175 2HD1 ILE 25 2HD1 ILE 25 -3.707 4.922 -8.217 176 3HD1 ILE 25 3HD1 ILE 25 -2.759 6.051 -7.259 177 H HIS 26 H HIS 26 1.212 5.308 -3.928 178 HA HIS 26 HA HIS 26 1.958 6.863 -6.386 179 1HB HIS 26 1HB HIS 26 2.600 7.275 -3.414 180 2HB HIS 26 2HB HIS 26 3.206 8.183 -4.827 181 HD1 HIS 26 HD1 HIS 26 1.158 9.536 -6.252 182 HD2 HIS 26 HD2 HIS 26 0.134 7.887 -2.523 183 HE1 HIS 26 HE1 HIS 26 -1.144 10.450 -5.652 184 H GLU 27 H GLU 27 3.935 6.391 -7.279 185 HA GLU 27 HA GLU 27 5.428 4.175 -6.023 186 1HB GLU 27 1HB GLU 27 5.745 5.617 -8.661 187 2HB GLU 27 2HB GLU 27 6.991 4.523 -8.019 188 1HG GLU 27 1HG GLU 27 5.412 2.707 -7.774 189 2HG GLU 27 2HG GLU 27 4.092 3.742 -8.286 190 H GLY 28 H GLY 28 7.393 4.192 -5.234 191 1HA GLY 28 1HA GLY 28 8.853 6.781 -4.799 192 2HA GLY 28 2HA GLY 28 8.867 5.419 -3.661 193 H GLU 29 H GLU 29 9.157 3.202 -5.108 194 HA GLU 29 HA GLU 29 11.513 3.508 -6.902 195 1HB GLU 29 1HB GLU 29 12.599 1.750 -5.751 196 2HB GLU 29 2HB GLU 29 12.260 3.106 -4.676 197 1HG GLU 29 1HG GLU 29 10.947 0.363 -4.662 198 2HG GLU 29 2HG GLU 29 11.992 1.133 -3.478 199 H ASP 30 H ASP 30 9.174 1.266 -5.602 200 HA ASP 30 HA ASP 30 8.338 0.297 -8.267 201 1HB ASP 30 1HB ASP 30 9.939 -1.406 -7.590 202 2HB ASP 30 2HB ASP 30 9.247 -1.475 -5.960 203 H GLN 31 H GLN 31 7.710 0.426 -4.678 204 HA GLN 31 HA GLN 31 5.136 -0.885 -5.149 205 1HB GLN 31 1HB GLN 31 4.927 -0.960 -2.759 206 2HB GLN 31 2HB GLN 31 6.432 -1.679 -3.346 207 1HG GLN 31 1HG GLN 31 7.713 0.207 -2.500 208 2HG GLN 31 2HG GLN 31 6.235 1.115 -2.142 209 1HE2 GLN 31 2HE2 GLN 31 6.388 -2.342 -1.486 210 2HE2 GLN 31 1HE2 GLN 31 6.543 -2.211 0.257 211 H TYR 32 H TYR 32 3.193 0.046 -5.062 212 HA TYR 32 HA TYR 32 2.986 2.938 -5.153 213 1HB TYR 32 1HB TYR 32 1.029 0.682 -5.296 214 2HB TYR 32 2HB TYR 32 0.509 2.352 -5.174 215 HD1 TYR 32 HD1 TYR 32 2.356 -0.082 -7.316 216 HD2 TYR 32 HD2 TYR 32 0.810 3.928 -7.030 217 HE1 TYR 32 HE1 TYR 32 2.857 0.315 -9.710 218 HE2 TYR 32 HE2 TYR 32 1.271 4.284 -9.429 219 HH TYR 32 HH TYR 32 3.268 2.989 -11.057 220 H TYR 33 H TYR 33 3.380 3.930 -3.361 221 HA TYR 33 HA TYR 33 2.840 3.184 -0.632 222 1HB TYR 33 1HB TYR 33 3.736 5.679 -2.130 223 2HB TYR 33 2HB TYR 33 3.330 5.796 -0.483 224 HD1 TYR 33 HD1 TYR 33 4.604 4.121 1.156 225 HD2 TYR 33 HD2 TYR 33 5.820 4.781 -2.922 226 HE1 TYR 33 HE1 TYR 33 6.750 2.952 1.597 227 HE2 TYR 33 HE2 TYR 33 7.925 3.596 -2.489 228 HH TYR 33 HH TYR 33 9.263 2.562 -0.921 229 H ILE 34 H ILE 34 0.767 3.145 0.130 230 HA ILE 34 HA ILE 34 -1.281 4.530 -1.364 231 HB ILE 34 HB ILE 34 -1.271 2.667 1.018 232 1HG1 ILE 34 1HG1 ILE 34 -2.805 2.442 -1.620 233 2HG1 ILE 34 2HG1 ILE 34 -1.158 1.846 -1.449 234 1HG2 ILE 34 1HG2 ILE 34 -3.542 4.405 0.001 235 2HG2 ILE 34 2HG2 ILE 34 -3.830 2.943 0.962 236 3HG2 ILE 34 3HG2 ILE 34 -2.924 4.275 1.661 237 1HD1 ILE 34 1HD1 ILE 34 -1.876 0.353 0.380 238 2HD1 ILE 34 2HD1 ILE 34 -3.559 0.890 0.154 239 3HD1 ILE 34 3HD1 ILE 34 -2.715 0.062 -1.159 240 H ASP 35 H ASP 35 -2.050 6.600 -0.736 241 HA ASP 35 HA ASP 35 -0.582 8.089 1.243 242 1HB ASP 35 1HB ASP 35 -1.784 9.056 -0.815 243 2HB ASP 35 2HB ASP 35 -3.268 8.871 0.189 244 HA PRO 36 HA PRO 36 -3.215 6.456 4.516 245 1HB PRO 36 1HB PRO 36 -2.052 7.648 6.686 246 2HB PRO 36 2HB PRO 36 -1.348 6.240 5.811 247 1HG PRO 36 1HG PRO 36 -0.634 9.172 5.583 248 2HG PRO 36 2HG PRO 36 0.479 7.773 5.638 249 1HD PRO 36 1HD PRO 36 -0.368 9.054 3.325 250 2HD PRO 36 2HD PRO 36 0.161 7.340 3.362 251 H ASP 37 H ASP 37 -2.630 9.852 3.822 252 HA ASP 37 HA ASP 37 -4.675 10.858 5.663 253 1HB ASP 37 1HB ASP 37 -3.249 12.214 3.355 254 2HB ASP 37 2HB ASP 37 -4.334 12.979 4.506 255 H VAL 38 H VAL 38 -4.258 10.056 2.165 256 HA VAL 38 HA VAL 38 -7.023 10.984 1.684 257 HB VAL 38 HB VAL 38 -5.051 9.896 -0.313 258 1HG1 VAL 38 1HG1 VAL 38 -7.671 11.405 -0.632 259 2HG1 VAL 38 2HG1 VAL 38 -6.503 11.102 -1.932 260 3HG1 VAL 38 3HG1 VAL 38 -7.330 9.745 -1.162 261 1HG2 VAL 38 1HG2 VAL 38 -4.296 12.025 0.877 262 2HG2 VAL 38 2HG2 VAL 38 -4.582 12.204 -0.854 263 3HG2 VAL 38 3HG2 VAL 38 -5.793 12.784 0.308 264 H CYS 39 H CYS 39 -5.435 7.740 1.949 265 HA CYS 39 HA CYS 39 -7.584 6.324 0.762 266 1HB CYS 39 1HB CYS 39 -5.473 5.235 1.210 267 2HB CYS 39 2HB CYS 39 -5.699 5.497 2.941 268 H ILE 40 H ILE 40 -9.641 6.278 1.341 269 HA ILE 40 HA ILE 40 -10.531 7.013 4.038 270 HB ILE 40 HB ILE 40 -12.786 6.834 3.025 271 1HG1 ILE 40 1HG1 ILE 40 -11.380 6.380 0.352 272 2HG1 ILE 40 2HG1 ILE 40 -12.026 5.034 1.288 273 1HG2 ILE 40 1HG2 ILE 40 -11.274 8.905 2.940 274 2HG2 ILE 40 2HG2 ILE 40 -10.942 8.485 1.251 275 3HG2 ILE 40 3HG2 ILE 40 -12.595 8.858 1.770 276 1HD1 ILE 40 1HD1 ILE 40 -13.930 7.291 0.810 277 2HD1 ILE 40 2HD1 ILE 40 -13.441 6.327 -0.596 278 3HD1 ILE 40 3HD1 ILE 40 -14.188 5.536 0.806 279 H ASP 41 H ASP 41 -8.994 4.643 3.979 280 HA ASP 41 HA ASP 41 -8.928 2.473 4.480 281 1HB ASP 41 1HB ASP 41 -9.607 3.907 6.588 282 2HB ASP 41 2HB ASP 41 -11.081 2.937 6.538 283 H CYS 42 H CYS 42 -10.218 2.452 2.256 284 HA CYS 42 HA CYS 42 -12.640 0.764 2.503 285 1HB CYS 42 1HB CYS 42 -13.229 1.411 0.509 286 2HB CYS 42 2HB CYS 42 -12.204 2.782 0.853 287 H GLY 43 H GLY 43 -12.153 -0.798 0.150 288 1HA GLY 43 1HA GLY 43 -9.821 -2.527 0.921 289 2HA GLY 43 2HA GLY 43 -11.344 -3.166 0.289 290 H ALA 44 H ALA 44 -10.633 -3.885 -1.680 291 HA ALA 44 HA ALA 44 -10.845 -3.714 -3.935 292 1HB ALA 44 1HB ALA 44 -11.838 -1.454 -3.885 293 2HB ALA 44 2HB ALA 44 -10.220 -0.729 -3.802 294 3HB ALA 44 3HB ALA 44 -10.689 -1.671 -5.219 295 H CYS 45 H CYS 45 -8.271 -1.470 -2.837 296 HA CYS 45 HA CYS 45 -6.339 -2.394 -4.712 297 1HB CYS 45 1HB CYS 45 -4.738 -1.169 -3.383 298 2HB CYS 45 2HB CYS 45 -6.191 -0.260 -3.719 299 H GLU 46 H GLU 46 -6.922 -3.320 -1.316 300 HA GLU 46 HA GLU 46 -4.871 -5.248 -1.081 301 1HB GLU 46 1HB GLU 46 -6.436 -6.254 0.723 302 2HB GLU 46 2HB GLU 46 -5.742 -4.652 0.941 303 1HG GLU 46 1HG GLU 46 -7.983 -4.617 1.716 304 2HG GLU 46 2HG GLU 46 -7.892 -3.591 0.300 305 H ALA 47 H ALA 47 -8.235 -5.773 -2.183 306 HA ALA 47 HA ALA 47 -7.835 -8.553 -2.735 307 1HB ALA 47 1HB ALA 47 -10.043 -7.428 -2.432 308 2HB ALA 47 2HB ALA 47 -9.829 -6.635 -4.007 309 3HB ALA 47 3HB ALA 47 -9.947 -8.406 -3.910 310 H VAL 48 H VAL 48 -7.267 -5.586 -4.656 311 HA VAL 48 HA VAL 48 -6.913 -6.962 -7.158 312 HB VAL 48 HB VAL 48 -6.352 -4.188 -6.132 313 1HG1 VAL 48 1HG1 VAL 48 -5.572 -5.267 -8.863 314 2HG1 VAL 48 2HG1 VAL 48 -5.735 -3.545 -8.461 315 3HG1 VAL 48 3HG1 VAL 48 -4.506 -4.518 -7.644 316 1HG2 VAL 48 1HG2 VAL 48 -8.687 -5.013 -6.782 317 2HG2 VAL 48 2HG2 VAL 48 -8.120 -3.606 -7.688 318 3HG2 VAL 48 3HG2 VAL 48 -8.075 -5.216 -8.430 319 H CYS 49 H CYS 49 -4.614 -6.023 -4.537 320 HA CYS 49 HA CYS 49 -2.280 -6.829 -5.956 321 1HB CYS 49 1HB CYS 49 -2.436 -5.655 -3.652 322 2HB CYS 49 2HB CYS 49 -2.660 -7.298 -3.015 323 HA PRO 50 HA PRO 50 -3.819 -11.102 -6.193 324 1HB PRO 50 1HB PRO 50 -1.967 -12.237 -7.845 325 2HB PRO 50 2HB PRO 50 -3.120 -10.995 -8.404 326 1HG PRO 50 1HG PRO 50 -0.255 -10.571 -7.502 327 2HG PRO 50 2HG PRO 50 -1.017 -10.002 -9.016 328 1HD PRO 50 1HD PRO 50 -0.796 -8.411 -6.802 329 2HD PRO 50 2HD PRO 50 -2.217 -8.318 -7.882 330 H VAL 51 H VAL 51 -1.799 -10.118 -4.093 331 HA VAL 51 HA VAL 51 -0.879 -12.708 -3.039 332 HB VAL 51 HB VAL 51 1.271 -12.070 -3.070 333 1HG1 VAL 51 1HG1 VAL 51 0.799 -11.139 -5.309 334 2HG1 VAL 51 2HG1 VAL 51 0.389 -9.565 -4.576 335 3HG1 VAL 51 3HG1 VAL 51 2.038 -10.192 -4.484 336 1HG2 VAL 51 1HG2 VAL 51 0.479 -9.310 -2.086 337 2HG2 VAL 51 2HG2 VAL 51 0.996 -10.683 -1.053 338 3HG2 VAL 51 3HG2 VAL 51 2.137 -9.945 -2.174 339 H SER 52 H SER 52 -2.492 -9.593 -2.670 340 HA SER 52 HA SER 52 -3.155 -8.351 -0.954 341 1HB SER 52 1HB SER 52 -3.693 -11.064 0.297 342 2HB SER 52 2HB SER 52 -4.493 -9.526 0.682 343 HG SER 52 HG SER 52 -5.034 -9.457 -1.653 344 H ALA 53 H ALA 53 -0.667 -8.011 -0.932 345 HA ALA 53 HA ALA 53 0.607 -8.559 1.685 346 1HB ALA 53 1HB ALA 53 1.422 -7.049 -0.825 347 2HB ALA 53 2HB ALA 53 2.371 -6.993 0.671 348 3HB ALA 53 3HB ALA 53 2.124 -8.538 -0.150 349 H ILE 54 H ILE 54 -1.638 -6.353 0.390 350 HA ILE 54 HA ILE 54 -0.891 -4.053 2.021 351 HB ILE 54 HB ILE 54 -3.458 -4.548 0.481 352 1HG1 ILE 54 1HG1 ILE 54 -0.821 -3.437 -0.507 353 2HG1 ILE 54 2HG1 ILE 54 -1.628 -4.875 -1.116 354 1HG2 ILE 54 1HG2 ILE 54 -3.241 -2.669 2.222 355 2HG2 ILE 54 2HG2 ILE 54 -2.052 -1.934 1.139 356 3HG2 ILE 54 3HG2 ILE 54 -3.738 -2.166 0.613 357 1HD1 ILE 54 1HD1 ILE 54 -2.928 -2.147 -1.401 358 2HD1 ILE 54 2HD1 ILE 54 -1.844 -2.844 -2.593 359 3HD1 ILE 54 3HD1 ILE 54 -3.340 -3.683 -2.177 360 H TYR 55 H TYR 55 -1.638 -3.786 4.131 361 HA TYR 55 HA TYR 55 -4.080 -5.221 5.007 362 1HB TYR 55 1HB TYR 55 -1.367 -5.037 6.390 363 2HB TYR 55 2HB TYR 55 -2.835 -5.607 7.140 364 HD1 TYR 55 HD1 TYR 55 -4.066 -7.598 5.778 365 HD2 TYR 55 HD2 TYR 55 0.123 -6.611 5.478 366 HE1 TYR 55 HE1 TYR 55 -3.611 -9.811 4.758 367 HE2 TYR 55 HE2 TYR 55 0.575 -8.842 4.506 368 HH TYR 55 HH TYR 55 -1.471 -10.532 3.003 369 H HIS 56 H HIS 56 -4.773 -4.154 7.156 370 HA HIS 56 HA HIS 56 -4.742 -1.272 6.970 371 1HB HIS 56 1HB HIS 56 -6.284 -2.977 8.366 372 2HB HIS 56 2HB HIS 56 -5.051 -2.751 9.573 373 HD1 HIS 56 HD1 HIS 56 -7.955 -0.793 7.931 374 HD2 HIS 56 HD2 HIS 56 -4.946 -0.489 10.850 375 HE1 HIS 56 HE1 HIS 56 -8.608 1.112 9.480 376 H GLU 57 H GLU 57 -3.398 0.246 7.960 377 HA GLU 57 HA GLU 57 -0.775 -0.468 8.217 378 1HB GLU 57 1HB GLU 57 -0.567 1.798 9.286 379 2HB GLU 57 2HB GLU 57 -1.586 1.809 7.828 380 1HG GLU 57 1HG GLU 57 -3.495 1.440 9.597 381 2HG GLU 57 2HG GLU 57 -2.257 2.043 10.713 382 H ASP 58 H ASP 58 -3.091 -0.400 10.782 383 HA ASP 58 HA ASP 58 -0.985 -1.046 12.667 384 1HB ASP 58 1HB ASP 58 -2.989 0.152 13.467 385 2HB ASP 58 2HB ASP 58 -3.910 -1.357 13.285 386 H PHE 59 H PHE 59 -2.781 -2.947 10.427 387 HA PHE 59 HA PHE 59 -2.669 -5.440 12.011 388 1HB PHE 59 1HB PHE 59 -3.393 -4.762 9.138 389 2HB PHE 59 2HB PHE 59 -3.250 -6.379 9.763 390 HD1 PHE 59 HD1 PHE 59 -4.716 -4.277 12.321 391 HD2 PHE 59 HD2 PHE 59 -5.585 -6.425 8.667 392 HE1 PHE 59 HE1 PHE 59 -7.119 -4.122 12.796 393 HE2 PHE 59 HE2 PHE 59 -8.006 -6.256 9.161 394 HZ PHE 59 HZ PHE 59 -8.780 -5.094 11.220 395 H VAL 60 H VAL 60 -0.781 -3.573 9.672 396 HA VAL 60 HA VAL 60 1.060 -5.586 8.976 397 HB VAL 60 HB VAL 60 1.354 -2.586 9.127 398 1HG1 VAL 60 1HG1 VAL 60 3.297 -4.733 8.190 399 2HG1 VAL 60 2HG1 VAL 60 3.412 -3.036 7.700 400 3HG1 VAL 60 3HG1 VAL 60 3.583 -3.465 9.403 401 1HG2 VAL 60 1HG2 VAL 60 0.921 -4.635 6.906 402 2HG2 VAL 60 2HG2 VAL 60 -0.219 -3.387 7.455 403 3HG2 VAL 60 3HG2 VAL 60 1.254 -2.930 6.611 404 HA PRO 61 HA PRO 61 2.837 -6.357 13.054 405 1HB PRO 61 1HB PRO 61 5.076 -7.457 11.341 406 2HB PRO 61 2HB PRO 61 4.316 -8.192 12.776 407 1HG PRO 61 1HG PRO 61 3.652 -9.051 10.289 408 2HG PRO 61 2HG PRO 61 2.365 -8.782 11.504 409 1HD PRO 61 1HD PRO 61 3.224 -6.937 9.262 410 2HD PRO 61 2HD PRO 61 1.587 -7.443 9.796 411 H GLU 62 H GLU 62 4.476 -5.445 14.378 412 HA GLU 62 HA GLU 62 5.600 -3.046 14.082 413 1HB GLU 62 1HB GLU 62 6.003 -5.555 15.648 414 2HB GLU 62 2HB GLU 62 7.102 -4.231 15.850 415 1HG GLU 62 1HG GLU 62 5.155 -4.182 17.466 416 2HG GLU 62 2HG GLU 62 5.271 -2.713 16.486 417 H GLU 63 H GLU 63 7.277 -6.121 13.240 418 HA GLU 63 HA GLU 63 9.777 -5.103 12.524 419 1HB GLU 63 1HB GLU 63 8.175 -7.219 11.043 420 2HB GLU 63 2HB GLU 63 9.919 -6.958 10.971 421 1HG GLU 63 1HG GLU 63 9.896 -8.653 12.479 422 2HG GLU 63 2HG GLU 63 9.756 -7.319 13.626 423 H TRP 64 H TRP 64 6.725 -4.979 10.760 424 HA TRP 64 HA TRP 64 7.935 -3.554 8.444 425 1HB TRP 64 1HB TRP 64 5.514 -5.323 8.783 426 2HB TRP 64 2HB TRP 64 5.782 -4.349 7.344 427 HD1 TRP 64 HD1 TRP 64 9.137 -5.295 7.765 428 HE1 TRP 64 HE1 TRP 64 9.737 -7.373 6.368 429 HE3 TRP 64 HE3 TRP 64 4.428 -7.212 6.955 430 HZ2 TRP 64 HZ2 TRP 64 8.447 -9.567 5.198 431 HZ3 TRP 64 HZ3 TRP 64 4.170 -9.239 5.552 432 HH2 TRP 64 HH2 TRP 64 6.206 -10.317 4.537 433 H LYS 65 H LYS 65 6.270 -2.742 11.327 434 HA LYS 65 HA LYS 65 4.525 -0.741 10.390 435 1HB LYS 65 1HB LYS 65 6.200 -1.220 12.870 436 2HB LYS 65 2HB LYS 65 5.296 0.214 12.680 437 1HG LYS 65 1HG LYS 65 4.016 -2.542 12.638 438 2HG LYS 65 2HG LYS 65 4.117 -1.448 14.034 439 1HD LYS 65 1HD LYS 65 2.943 0.208 12.289 440 2HD LYS 65 2HD LYS 65 2.381 -1.335 11.616 441 1HE LYS 65 1HE LYS 65 2.055 -0.437 14.539 442 2HE LYS 65 2HE LYS 65 0.846 -0.255 13.289 443 1HZ LYS 65 1HZ LYS 65 1.088 -2.841 13.115 444 2HZ LYS 65 2HZ LYS 65 1.802 -2.686 14.603 445 3HZ LYS 65 3HZ LYS 65 0.251 -2.156 14.381 446 H SER 66 H SER 66 8.014 -1.081 10.296 447 HA SER 66 HA SER 66 8.990 1.527 10.004 448 1HB SER 66 1HB SER 66 10.400 0.042 8.203 449 2HB SER 66 2HB SER 66 10.631 -0.117 9.956 450 HG SER 66 HG SER 66 10.050 -2.183 9.555 451 H TYR 67 H TYR 67 7.284 -0.643 7.635 452 HA TYR 67 HA TYR 67 7.512 1.268 5.475 453 1HB TYR 67 1HB TYR 67 5.497 -0.966 5.846 454 2HB TYR 67 2HB TYR 67 5.626 0.044 4.444 455 HD1 TYR 67 HD1 TYR 67 7.639 0.017 2.966 456 HD2 TYR 67 HD2 TYR 67 7.181 -2.792 6.201 457 HE1 TYR 67 HE1 TYR 67 9.500 -1.341 2.057 458 HE2 TYR 67 HE2 TYR 67 9.067 -4.127 5.306 459 HH TYR 67 HH TYR 67 10.604 -4.394 3.566 460 H ILE 68 H ILE 68 5.147 0.851 8.186 461 HA ILE 68 HA ILE 68 3.177 2.579 7.002 462 HB ILE 68 HB ILE 68 3.703 1.354 9.720 463 1HG1 ILE 68 1HG1 ILE 68 1.648 0.271 9.352 464 2HG1 ILE 68 2HG1 ILE 68 1.293 1.231 7.905 465 1HG2 ILE 68 1HG2 ILE 68 1.602 3.417 9.105 466 2HG2 ILE 68 2HG2 ILE 68 1.648 2.368 10.545 467 3HG2 ILE 68 3HG2 ILE 68 2.939 3.548 10.282 468 1HD1 ILE 68 1HD1 ILE 68 3.552 -0.784 8.162 469 2HD1 ILE 68 2HD1 ILE 68 1.968 -1.067 7.411 470 3HD1 ILE 68 3HD1 ILE 68 3.075 0.073 6.673 471 H GLN 69 H GLN 69 6.015 2.979 9.134 472 HA GLN 69 HA GLN 69 5.648 5.790 9.431 473 1HB GLN 69 1HB GLN 69 7.239 4.348 10.778 474 2HB GLN 69 2HB GLN 69 8.326 4.337 9.380 475 1HG GLN 69 1HG GLN 69 9.001 6.094 10.946 476 2HG GLN 69 2HG GLN 69 8.421 6.830 9.448 477 1HE2 GLN 69 2HE2 GLN 69 7.289 5.872 12.743 478 2HE2 GLN 69 1HE2 GLN 69 6.155 7.203 12.888 479 H LYS 70 H LYS 70 7.383 3.851 6.928 480 HA LYS 70 HA LYS 70 8.449 6.080 5.582 481 1HB LYS 70 1HB LYS 70 9.175 3.683 5.205 482 2HB LYS 70 2HB LYS 70 7.626 3.398 4.440 483 1HG LYS 70 1HG LYS 70 9.120 3.612 2.692 484 2HG LYS 70 2HG LYS 70 8.175 5.073 2.690 485 1HD LYS 70 1HD LYS 70 10.999 4.766 3.827 486 2HD LYS 70 2HD LYS 70 10.650 5.270 2.185 487 1HE LYS 70 1HE LYS 70 10.232 6.869 4.735 488 2HE LYS 70 2HE LYS 70 11.242 7.219 3.356 489 1HZ LYS 70 1HZ LYS 70 9.232 7.573 2.029 490 2HZ LYS 70 2HZ LYS 70 8.289 7.352 3.373 491 3HZ LYS 70 3HZ LYS 70 9.370 8.577 3.320 492 H ASN 71 H ASN 71 5.519 4.214 4.908 493 HA ASN 71 HA ASN 71 4.160 5.591 3.029 494 1HB ASN 71 1HB ASN 71 3.562 3.505 4.446 495 2HB ASN 71 2HB ASN 71 2.932 4.625 5.643 496 1HD2 ASN 71 2HD2 ASN 71 2.826 3.718 2.387 497 2HD2 ASN 71 1HD2 ASN 71 1.145 4.301 2.030 498 H ARG 72 H ARG 72 4.550 6.484 6.496 499 HA ARG 72 HA ARG 72 2.587 8.596 6.433 500 1HB ARG 72 1HB ARG 72 4.063 7.206 8.397 501 2HB ARG 72 2HB ARG 72 4.887 8.710 8.347 502 1HG ARG 72 1HG ARG 72 3.293 9.371 9.834 503 2HG ARG 72 2HG ARG 72 2.218 9.541 8.441 504 1HD ARG 72 1HD ARG 72 2.566 7.134 10.272 505 2HD ARG 72 2HD ARG 72 1.138 8.184 10.105 506 HE ARG 72 HE ARG 72 2.071 6.696 7.698 507 1HH1 ARG 72 1HH1 ARG 72 -0.139 6.606 10.512 508 2HH1 ARG 72 2HH1 ARG 72 -1.153 5.391 9.725 509 1HH2 ARG 72 1HH2 ARG 72 0.491 5.167 6.712 510 2HH2 ARG 72 2HH2 ARG 72 -0.782 4.614 7.815 511 H ASP 73 H ASP 73 6.123 8.421 6.532 512 HA ASP 73 HA ASP 73 6.796 11.065 6.423 513 1HB ASP 73 1HB ASP 73 8.333 9.302 6.994 514 2HB ASP 73 2HB ASP 73 8.121 8.501 5.451 515 H PHE 74 H PHE 74 6.298 8.850 3.671 516 HA PHE 74 HA PHE 74 7.021 10.439 1.502 517 1HB PHE 74 1HB PHE 74 4.956 8.367 1.858 518 2HB PHE 74 2HB PHE 74 4.820 9.438 0.471 519 HD1 PHE 74 HD1 PHE 74 6.624 9.719 -1.195 520 HD2 PHE 74 HD2 PHE 74 6.539 6.497 1.646 521 HE1 PHE 74 HE1 PHE 74 8.377 8.527 -2.480 522 HE2 PHE 74 HE2 PHE 74 8.515 5.456 0.499 523 HZ PHE 74 HZ PHE 74 9.395 6.445 -1.557 524 H PHE 75 H PHE 75 4.000 10.773 3.413 525 HA PHE 75 HA PHE 75 3.313 13.187 1.779 526 1HB PHE 75 1HB PHE 75 1.422 11.470 3.307 527 2HB PHE 75 2HB PHE 75 1.059 12.648 2.063 528 HD1 PHE 75 HD1 PHE 75 1.810 12.140 -0.371 529 HD2 PHE 75 HD2 PHE 75 1.835 9.210 2.766 530 HE1 PHE 75 HE1 PHE 75 2.114 10.343 -2.051 531 HE2 PHE 75 HE2 PHE 75 2.100 7.397 1.095 532 HZ PHE 75 HZ PHE 75 2.269 7.962 -1.315 533 H LYS 76 H LYS 76 5.029 12.800 4.334 534 HA LYS 76 HA LYS 76 3.756 15.006 5.919 535 1HB LYS 76 1HB LYS 76 5.024 12.418 6.851 536 2HB LYS 76 2HB LYS 76 5.400 13.894 7.732 537 1HG LYS 76 1HG LYS 76 3.641 12.726 8.830 538 2HG LYS 76 2HG LYS 76 3.136 14.315 8.292 539 1HD LYS 76 1HD LYS 76 2.522 12.311 6.240 540 2HD LYS 76 2HD LYS 76 1.917 11.748 7.780 541 1HE LYS 76 1HE LYS 76 0.357 13.402 8.004 542 2HE LYS 76 2HE LYS 76 1.334 14.622 7.152 543 1HZ LYS 76 1HZ LYS 76 -0.099 12.445 5.776 544 2HZ LYS 76 2HZ LYS 76 -0.652 13.909 5.932 545 3HZ LYS 76 3HZ LYS 76 0.765 13.695 5.091 546 H LYS 77 H LYS 77 4.914 16.376 4.252 547 HA LYS 77 HA LYS 77 7.641 16.843 4.870 548 1HB LYS 77 1HB LYS 77 7.348 14.666 3.231 549 2HB LYS 77 2HB LYS 77 7.263 15.930 2.032 550 1HG LYS 77 1HG LYS 77 9.411 16.658 2.388 551 2HG LYS 77 2HG LYS 77 9.515 16.142 4.068 552 1HD LYS 77 1HD LYS 77 9.212 14.078 1.885 553 2HD LYS 77 2HD LYS 77 10.790 14.800 2.216 554 1HE LYS 77 1HE LYS 77 10.325 12.579 3.407 555 2HE LYS 77 2HE LYS 77 10.937 13.905 4.402 556 1HZ LYS 77 1HZ LYS 77 8.574 14.221 5.168 557 2HZ LYS 77 2HZ LYS 77 8.159 12.935 4.265 558 3HZ LYS 77 3HZ LYS 77 9.231 12.733 5.463 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -7.548 2.441 5.280 2 2H ALA 1 2H ALA 1 -7.877 3.693 6.075 3 3H ALA 1 3H ALA 1 -7.547 3.798 4.598 4 HA ALA 1 HA ALA 1 -5.197 3.862 4.976 5 1HB ALA 1 1HB ALA 1 -5.913 5.107 6.871 6 2HB ALA 1 2HB ALA 1 -5.957 3.632 7.881 7 3HB ALA 1 3HB ALA 1 -4.416 4.204 7.176 8 H TYR 2 H TYR 2 -5.145 1.851 3.725 9 HA TYR 2 HA TYR 2 -4.099 -0.383 5.384 10 1HB TYR 2 1HB TYR 2 -5.275 -0.702 2.624 11 2HB TYR 2 2HB TYR 2 -4.816 -1.940 3.810 12 HD1 TYR 2 HD1 TYR 2 -6.293 -0.657 6.246 13 HD2 TYR 2 HD2 TYR 2 -7.440 -1.724 2.227 14 HE1 TYR 2 HE1 TYR 2 -8.646 -0.707 6.937 15 HE2 TYR 2 HE2 TYR 2 -9.796 -1.950 2.984 16 HH TYR 2 HH TYR 2 -10.839 -0.700 6.105 17 H VAL 3 H VAL 3 -2.122 -1.126 4.732 18 HA VAL 3 HA VAL 3 -0.686 0.529 2.695 19 HB VAL 3 HB VAL 3 0.233 -0.174 5.516 20 1HG1 VAL 3 1HG1 VAL 3 1.558 1.203 3.167 21 2HG1 VAL 3 2HG1 VAL 3 1.982 1.666 4.826 22 3HG1 VAL 3 3HG1 VAL 3 2.224 0.006 4.301 23 1HG2 VAL 3 1HG2 VAL 3 -0.710 2.442 4.271 24 2HG2 VAL 3 2HG2 VAL 3 -1.501 1.551 5.594 25 3HG2 VAL 3 3HG2 VAL 3 0.069 2.304 5.862 26 H ILE 4 H ILE 4 0.966 -0.361 1.577 27 HA ILE 4 HA ILE 4 1.093 -3.177 1.130 28 HB ILE 4 HB ILE 4 2.809 -2.511 -0.459 29 1HG1 ILE 4 1HG1 ILE 4 3.125 0.049 -0.812 30 2HG1 ILE 4 2HG1 ILE 4 2.802 0.204 0.912 31 1HG2 ILE 4 1HG2 ILE 4 0.413 -2.218 -0.992 32 2HG2 ILE 4 2HG2 ILE 4 0.555 -0.491 -0.591 33 3HG2 ILE 4 3HG2 ILE 4 1.480 -1.193 -1.932 34 1HD1 ILE 4 1HD1 ILE 4 4.960 -1.576 -0.321 35 2HD1 ILE 4 2HD1 ILE 4 5.223 0.094 0.213 36 3HD1 ILE 4 3HD1 ILE 4 4.811 -1.147 1.397 37 H THR 5 H THR 5 3.236 -4.414 1.233 38 HA THR 5 HA THR 5 5.178 -3.390 3.148 39 HB THR 5 HB THR 5 5.052 -5.491 4.547 40 HG1 THR 5 HG1 THR 5 2.479 -5.726 3.352 41 1HG2 THR 5 1HG2 THR 5 4.145 -3.263 5.302 42 2HG2 THR 5 2HG2 THR 5 2.532 -3.826 4.791 43 3HG2 THR 5 3HG2 THR 5 3.419 -4.712 6.039 44 H GLU 6 H GLU 6 6.957 -4.714 3.408 45 HA GLU 6 HA GLU 6 8.653 -5.325 1.656 46 1HB GLU 6 1HB GLU 6 8.835 -5.558 3.994 47 2HB GLU 6 2HB GLU 6 8.161 -7.171 3.968 48 1HG GLU 6 1HG GLU 6 10.093 -8.035 3.119 49 2HG GLU 6 2HG GLU 6 10.439 -6.616 2.159 50 HA PRO 7 HA PRO 7 7.747 -9.671 0.182 51 1HB PRO 7 1HB PRO 7 4.821 -10.185 0.534 52 2HB PRO 7 2HB PRO 7 6.195 -11.291 0.806 53 1HG PRO 7 1HG PRO 7 4.827 -10.173 2.901 54 2HG PRO 7 2HG PRO 7 6.602 -10.403 2.948 55 1HD PRO 7 1HD PRO 7 5.055 -7.894 2.270 56 2HD PRO 7 2HD PRO 7 6.413 -8.087 3.388 57 H CYS 8 H CYS 8 5.331 -7.133 -0.231 58 HA CYS 8 HA CYS 8 4.465 -8.057 -2.854 59 1HB CYS 8 1HB CYS 8 2.709 -6.833 -2.300 60 2HB CYS 8 2HB CYS 8 3.490 -6.404 -0.810 61 H ILE 9 H ILE 9 7.274 -6.393 -1.740 62 HA ILE 9 HA ILE 9 7.504 -4.671 -4.085 63 HB ILE 9 HB ILE 9 9.495 -5.289 -1.895 64 1HG1 ILE 9 1HG1 ILE 9 8.999 -2.585 -1.899 65 2HG1 ILE 9 2HG1 ILE 9 7.455 -3.159 -2.530 66 1HG2 ILE 9 1HG2 ILE 9 9.722 -3.414 -4.293 67 2HG2 ILE 9 2HG2 ILE 9 10.819 -3.447 -2.894 68 3HG2 ILE 9 3HG2 ILE 9 10.755 -4.824 -3.979 69 1HD1 ILE 9 1HD1 ILE 9 7.335 -4.678 -0.527 70 2HD1 ILE 9 2HD1 ILE 9 8.771 -3.802 0.089 71 3HD1 ILE 9 3HD1 ILE 9 7.237 -2.944 -0.186 72 H GLY 10 H GLY 10 7.032 -6.178 -5.670 73 1HA GLY 10 1HA GLY 10 9.386 -7.841 -6.564 74 2HA GLY 10 2HA GLY 10 7.689 -8.194 -6.927 75 H THR 11 H THR 11 9.805 -5.363 -7.029 76 HA THR 11 HA THR 11 9.867 -3.597 -8.229 77 HB THR 11 HB THR 11 11.700 -4.871 -9.007 78 HG1 THR 11 HG1 THR 11 11.193 -2.780 -9.888 79 1HG2 THR 11 1HG2 THR 11 10.541 -6.804 -10.068 80 2HG2 THR 11 2HG2 THR 11 9.995 -5.743 -11.385 81 3HG2 THR 11 3HG2 THR 11 11.724 -6.048 -11.153 82 H LYS 12 H LYS 12 8.732 -2.073 -9.026 83 HA LYS 12 HA LYS 12 6.929 -0.967 -9.702 84 1HB LYS 12 1HB LYS 12 7.214 -2.755 -12.151 85 2HB LYS 12 2HB LYS 12 6.218 -1.300 -12.094 86 1HG LYS 12 1HG LYS 12 9.188 -1.300 -11.463 87 2HG LYS 12 2HG LYS 12 8.560 -1.051 -13.089 88 1HD LYS 12 1HD LYS 12 7.699 1.051 -12.653 89 2HD LYS 12 2HD LYS 12 7.375 0.716 -10.955 90 1HE LYS 12 1HE LYS 12 9.829 0.689 -10.491 91 2HE LYS 12 2HE LYS 12 10.149 1.156 -12.156 92 1HZ LYS 12 1HZ LYS 12 8.286 2.945 -10.920 93 2HZ LYS 12 2HZ LYS 12 9.648 2.805 -10.025 94 3HZ LYS 12 3HZ LYS 12 9.726 3.267 -11.591 95 H CYS 13 H CYS 13 6.047 -4.327 -10.605 96 HA CYS 13 HA CYS 13 4.157 -5.528 -10.371 97 1HB CYS 13 1HB CYS 13 4.358 -5.187 -8.027 98 2HB CYS 13 2HB CYS 13 3.540 -3.630 -8.173 99 H ALA 14 H ALA 14 3.049 -2.196 -9.846 100 HA ALA 14 HA ALA 14 1.415 -0.919 -10.763 101 1HB ALA 14 1HB ALA 14 3.107 -0.971 -12.576 102 2HB ALA 14 2HB ALA 14 2.231 -2.318 -13.339 103 3HB ALA 14 3HB ALA 14 1.460 -0.727 -13.183 104 H SER 15 H SER 15 0.406 -3.402 -9.651 105 HA SER 15 HA SER 15 -2.027 -3.842 -11.337 106 1HB SER 15 1HB SER 15 -1.160 -5.252 -8.807 107 2HB SER 15 2HB SER 15 -2.551 -5.649 -9.823 108 HG SER 15 HG SER 15 0.148 -5.563 -10.751 109 H CYS 16 H CYS 16 -1.133 -2.754 -7.999 110 HA CYS 16 HA CYS 16 -3.841 -1.787 -7.482 111 1HB CYS 16 1HB CYS 16 -2.822 -0.834 -5.451 112 2HB CYS 16 2HB CYS 16 -2.759 -2.594 -5.592 113 H VAL 17 H VAL 17 -3.862 -0.671 -9.586 114 HA VAL 17 HA VAL 17 -3.076 2.174 -9.260 115 HB VAL 17 HB VAL 17 -2.466 2.320 -11.619 116 1HG1 VAL 17 1HG1 VAL 17 -0.734 1.965 -9.894 117 2HG1 VAL 17 2HG1 VAL 17 -0.783 0.217 -10.208 118 3HG1 VAL 17 3HG1 VAL 17 -0.265 1.336 -11.485 119 1HG2 VAL 17 1HG2 VAL 17 -2.660 -0.723 -11.699 120 2HG2 VAL 17 2HG2 VAL 17 -3.707 0.416 -12.572 121 3HG2 VAL 17 3HG2 VAL 17 -1.987 0.315 -12.968 122 H GLU 18 H GLU 18 -4.431 3.622 -10.446 123 HA GLU 18 HA GLU 18 -6.429 4.489 -10.931 124 1HB GLU 18 1HB GLU 18 -6.370 2.387 -12.942 125 2HB GLU 18 2HB GLU 18 -7.119 3.978 -13.060 126 1HG GLU 18 1HG GLU 18 -4.867 5.043 -12.833 127 2HG GLU 18 2HG GLU 18 -4.125 3.430 -12.909 128 H VAL 19 H VAL 19 -6.831 2.095 -8.970 129 HA VAL 19 HA VAL 19 -9.770 1.771 -9.500 130 HB VAL 19 HB VAL 19 -9.632 -0.104 -7.940 131 1HG1 VAL 19 1HG1 VAL 19 -9.279 -0.190 -10.562 132 2HG1 VAL 19 2HG1 VAL 19 -7.665 -0.760 -10.127 133 3HG1 VAL 19 3HG1 VAL 19 -9.095 -1.640 -9.568 134 1HG2 VAL 19 1HG2 VAL 19 -7.382 0.714 -6.865 135 2HG2 VAL 19 2HG2 VAL 19 -7.664 -1.018 -7.075 136 3HG2 VAL 19 3HG2 VAL 19 -6.608 -0.148 -8.202 137 H CYS 20 H CYS 20 -7.520 3.444 -7.480 138 HA CYS 20 HA CYS 20 -9.038 3.191 -5.108 139 1HB CYS 20 1HB CYS 20 -6.619 3.648 -5.166 140 2HB CYS 20 2HB CYS 20 -7.019 5.226 -5.853 141 HA PRO 21 HA PRO 21 -12.452 5.880 -6.018 142 1HB PRO 21 1HB PRO 21 -12.050 6.686 -3.126 143 2HB PRO 21 2HB PRO 21 -13.585 6.351 -3.978 144 1HG PRO 21 1HG PRO 21 -12.445 4.433 -2.419 145 2HG PRO 21 2HG PRO 21 -13.123 4.001 -4.016 146 1HD PRO 21 1HD PRO 21 -10.219 4.406 -3.283 147 2HD PRO 21 2HD PRO 21 -11.001 3.212 -4.369 148 H VAL 22 H VAL 22 -9.661 7.325 -4.288 149 HA VAL 22 HA VAL 22 -10.300 9.947 -5.581 150 HB VAL 22 HB VAL 22 -11.039 9.985 -3.309 151 1HG1 VAL 22 1HG1 VAL 22 -8.245 9.050 -2.599 152 2HG1 VAL 22 2HG1 VAL 22 -9.268 9.921 -1.445 153 3HG1 VAL 22 3HG1 VAL 22 -9.811 8.373 -2.109 154 1HG2 VAL 22 1HG2 VAL 22 -10.006 12.016 -4.351 155 2HG2 VAL 22 2HG2 VAL 22 -9.995 11.990 -2.580 156 3HG2 VAL 22 3HG2 VAL 22 -8.505 11.643 -3.469 157 H ASP 23 H ASP 23 -7.880 7.579 -5.160 158 HA ASP 23 HA ASP 23 -5.884 7.478 -6.319 159 1HB ASP 23 1HB ASP 23 -6.147 9.744 -7.429 160 2HB ASP 23 2HB ASP 23 -5.490 10.473 -5.948 161 H CYS 24 H CYS 24 -3.634 7.748 -5.430 162 HA CYS 24 HA CYS 24 -2.540 8.643 -3.256 163 1HB CYS 24 1HB CYS 24 -2.858 7.220 -1.283 164 2HB CYS 24 2HB CYS 24 -4.369 7.999 -1.667 165 HG CYS 24 HG CYS 24 -5.216 6.005 -3.187 166 H ILE 25 H ILE 25 -2.868 5.961 -5.358 167 HA ILE 25 HA ILE 25 -0.653 4.419 -4.207 168 HB ILE 25 HB ILE 25 -1.015 3.118 -6.464 169 1HG1 ILE 25 1HG1 ILE 25 -3.378 2.967 -7.079 170 2HG1 ILE 25 2HG1 ILE 25 -3.786 4.380 -6.127 171 1HG2 ILE 25 1HG2 ILE 25 -2.907 3.095 -4.107 172 2HG2 ILE 25 2HG2 ILE 25 -2.703 1.760 -5.254 173 3HG2 ILE 25 3HG2 ILE 25 -1.343 2.241 -4.241 174 1HD1 ILE 25 1HD1 ILE 25 -1.880 4.352 -8.517 175 2HD1 ILE 25 2HD1 ILE 25 -3.587 4.835 -8.570 176 3HD1 ILE 25 3HD1 ILE 25 -2.438 5.800 -7.638 177 H HIS 26 H HIS 26 1.266 5.427 -4.210 178 HA HIS 26 HA HIS 26 2.085 6.982 -6.632 179 1HB HIS 26 1HB HIS 26 2.903 7.022 -3.700 180 2HB HIS 26 2HB HIS 26 3.587 8.027 -4.972 181 HD1 HIS 26 HD1 HIS 26 1.344 9.418 -6.402 182 HD2 HIS 26 HD2 HIS 26 0.935 8.184 -2.411 183 HE1 HIS 26 HE1 HIS 26 -0.597 10.748 -5.422 184 H GLU 27 H GLU 27 4.160 6.593 -7.599 185 HA GLU 27 HA GLU 27 5.373 4.038 -6.904 186 1HB GLU 27 1HB GLU 27 6.424 6.131 -8.750 187 2HB GLU 27 2HB GLU 27 7.099 4.520 -8.471 188 1HG GLU 27 1HG GLU 27 4.951 3.483 -9.068 189 2HG GLU 27 2HG GLU 27 4.365 5.066 -9.632 190 H GLY 28 H GLY 28 6.134 4.017 -4.969 191 1HA GLY 28 1HA GLY 28 8.129 5.939 -3.870 192 2HA GLY 28 2HA GLY 28 7.580 4.432 -3.108 193 H GLU 29 H GLU 29 9.164 5.615 -5.998 194 HA GLU 29 HA GLU 29 10.885 5.148 -7.268 195 1HB GLU 29 1HB GLU 29 11.781 3.554 -4.861 196 2HB GLU 29 2HB GLU 29 12.767 3.820 -6.312 197 1HG GLU 29 1HG GLU 29 13.452 5.463 -4.737 198 2HG GLU 29 2HG GLU 29 12.470 6.330 -5.923 199 H ASP 30 H ASP 30 9.987 2.110 -5.683 200 HA ASP 30 HA ASP 30 9.616 0.836 -8.336 201 1HB ASP 30 1HB ASP 30 12.050 0.541 -7.600 202 2HB ASP 30 2HB ASP 30 11.438 -0.428 -6.250 203 H GLN 31 H GLN 31 7.744 1.620 -6.308 204 HA GLN 31 HA GLN 31 6.268 -0.820 -6.077 205 1HB GLN 31 1HB GLN 31 7.849 -1.044 -4.126 206 2HB GLN 31 2HB GLN 31 7.538 0.626 -3.677 207 1HG GLN 31 1HG GLN 31 6.402 -1.034 -2.207 208 2HG GLN 31 2HG GLN 31 5.294 0.122 -2.940 209 1HE2 GLN 31 2HE2 GLN 31 6.655 -2.481 -4.873 210 2HE2 GLN 31 1HE2 GLN 31 5.195 -3.459 -4.945 211 H TYR 32 H TYR 32 4.056 -0.343 -5.793 212 HA TYR 32 HA TYR 32 3.326 2.503 -5.856 213 1HB TYR 32 1HB TYR 32 1.802 -0.056 -6.217 214 2HB TYR 32 2HB TYR 32 0.974 1.469 -5.904 215 HD1 TYR 32 HD1 TYR 32 3.274 -0.244 -8.243 216 HD2 TYR 32 HD2 TYR 32 0.971 3.297 -7.524 217 HE1 TYR 32 HE1 TYR 32 3.793 0.560 -10.548 218 HE2 TYR 32 HE2 TYR 32 1.390 4.058 -9.839 219 HH TYR 32 HH TYR 32 3.669 3.099 -11.786 220 H TYR 33 H TYR 33 3.073 3.607 -4.087 221 HA TYR 33 HA TYR 33 3.027 2.344 -1.396 222 1HB TYR 33 1HB TYR 33 4.399 4.657 -2.696 223 2HB TYR 33 2HB TYR 33 3.626 5.041 -1.191 224 HD1 TYR 33 HD1 TYR 33 5.871 2.434 -2.721 225 HD2 TYR 33 HD2 TYR 33 4.814 4.681 0.769 226 HE1 TYR 33 HE1 TYR 33 7.730 1.367 -1.479 227 HE2 TYR 33 HE2 TYR 33 6.610 3.547 2.060 228 HH TYR 33 HH TYR 33 8.920 1.316 0.500 229 H ILE 34 H ILE 34 1.011 2.496 -0.453 230 HA ILE 34 HA ILE 34 -0.985 4.298 -1.555 231 HB ILE 34 HB ILE 34 -0.993 2.057 0.508 232 1HG1 ILE 34 1HG1 ILE 34 -2.642 2.295 -2.041 233 2HG1 ILE 34 2HG1 ILE 34 -1.037 1.553 -2.023 234 1HG2 ILE 34 1HG2 ILE 34 -3.217 4.028 -0.118 235 2HG2 ILE 34 2HG2 ILE 34 -3.516 2.459 0.647 236 3HG2 ILE 34 3HG2 ILE 34 -2.526 3.642 1.467 237 1HD1 ILE 34 1HD1 ILE 34 -1.821 -0.097 -0.340 238 2HD1 ILE 34 2HD1 ILE 34 -3.459 0.575 -0.472 239 3HD1 ILE 34 3HD1 ILE 34 -2.694 -0.158 -1.884 240 H ASP 35 H ASP 35 -1.180 6.388 -0.609 241 HA ASP 35 HA ASP 35 0.090 6.996 1.892 242 1HB ASP 35 1HB ASP 35 -0.664 8.760 0.182 243 2HB ASP 35 2HB ASP 35 -2.283 8.520 0.829 244 HA PRO 36 HA PRO 36 -3.242 4.762 4.149 245 1HB PRO 36 1HB PRO 36 -2.455 5.317 6.730 246 2HB PRO 36 2HB PRO 36 -1.721 4.049 5.730 247 1HG PRO 36 1HG PRO 36 -0.721 6.881 6.158 248 2HG PRO 36 2HG PRO 36 0.222 5.360 6.249 249 1HD PRO 36 1HD PRO 36 0.252 6.880 4.036 250 2HD PRO 36 2HD PRO 36 0.122 5.091 3.901 251 H ASP 37 H ASP 37 -2.186 8.150 4.551 252 HA ASP 37 HA ASP 37 -4.417 8.830 6.304 253 1HB ASP 37 1HB ASP 37 -2.354 10.597 4.970 254 2HB ASP 37 2HB ASP 37 -3.430 11.027 6.308 255 H VAL 38 H VAL 38 -3.683 8.873 2.827 256 HA VAL 38 HA VAL 38 -6.164 10.394 2.272 257 HB VAL 38 HB VAL 38 -4.201 9.125 0.348 258 1HG1 VAL 38 1HG1 VAL 38 -6.538 11.031 -0.085 259 2HG1 VAL 38 2HG1 VAL 38 -5.315 10.628 -1.307 260 3HG1 VAL 38 3HG1 VAL 38 -6.395 9.371 -0.701 261 1HG2 VAL 38 1HG2 VAL 38 -3.210 11.012 1.683 262 2HG2 VAL 38 2HG2 VAL 38 -3.424 11.430 -0.019 263 3HG2 VAL 38 3HG2 VAL 38 -4.570 12.036 1.194 264 H CYS 39 H CYS 39 -5.016 6.986 2.308 265 HA CYS 39 HA CYS 39 -7.157 5.856 0.891 266 1HB CYS 39 1HB CYS 39 -5.192 4.597 1.453 267 2HB CYS 39 2HB CYS 39 -5.532 4.800 3.178 268 H ILE 40 H ILE 40 -9.235 6.447 1.325 269 HA ILE 40 HA ILE 40 -10.361 6.539 4.023 270 HB ILE 40 HB ILE 40 -12.498 6.892 2.781 271 1HG1 ILE 40 1HG1 ILE 40 -10.824 7.037 0.239 272 2HG1 ILE 40 2HG1 ILE 40 -11.626 5.537 0.714 273 1HG2 ILE 40 1HG2 ILE 40 -10.142 8.672 2.030 274 2HG2 ILE 40 2HG2 ILE 40 -11.843 9.138 1.915 275 3HG2 ILE 40 3HG2 ILE 40 -11.136 8.774 3.492 276 1HD1 ILE 40 1HD1 ILE 40 -13.057 8.191 0.273 277 2HD1 ILE 40 2HD1 ILE 40 -13.003 6.827 -0.854 278 3HD1 ILE 40 3HD1 ILE 40 -13.812 6.642 0.714 279 H ASP 41 H ASP 41 -9.173 4.162 3.806 280 HA ASP 41 HA ASP 41 -9.333 1.864 3.800 281 1HB ASP 41 1HB ASP 41 -11.930 2.724 5.079 282 2HB ASP 41 2HB ASP 41 -11.698 1.023 4.665 283 H CYS 42 H CYS 42 -12.641 1.505 3.010 284 HA CYS 42 HA CYS 42 -13.746 0.898 1.194 285 1HB CYS 42 1HB CYS 42 -13.494 1.955 -0.672 286 2HB CYS 42 2HB CYS 42 -12.301 2.925 0.170 287 H GLY 43 H GLY 43 -10.326 -0.081 0.884 288 1HA GLY 43 1HA GLY 43 -9.500 -2.277 0.533 289 2HA GLY 43 2HA GLY 43 -11.127 -2.860 0.164 290 H ALA 44 H ALA 44 -11.370 -3.313 -1.990 291 HA ALA 44 HA ALA 44 -11.149 -3.357 -4.221 292 1HB ALA 44 1HB ALA 44 -12.042 -1.072 -4.117 293 2HB ALA 44 2HB ALA 44 -10.402 -0.404 -4.055 294 3HB ALA 44 3HB ALA 44 -10.934 -1.298 -5.483 295 H CYS 45 H CYS 45 -8.429 -1.137 -3.474 296 HA CYS 45 HA CYS 45 -6.569 -2.266 -5.297 297 1HB CYS 45 1HB CYS 45 -4.916 -1.087 -4.116 298 2HB CYS 45 2HB CYS 45 -6.324 -0.057 -4.317 299 H GLU 46 H GLU 46 -7.165 -2.903 -1.871 300 HA GLU 46 HA GLU 46 -5.367 -4.923 -1.275 301 1HB GLU 46 1HB GLU 46 -6.870 -3.864 0.312 302 2HB GLU 46 2HB GLU 46 -8.286 -4.614 -0.432 303 1HG GLU 46 1HG GLU 46 -6.015 -6.246 0.784 304 2HG GLU 46 2HG GLU 46 -7.381 -5.646 1.734 305 H ALA 47 H ALA 47 -8.677 -5.495 -2.565 306 HA ALA 47 HA ALA 47 -8.278 -8.267 -3.019 307 1HB ALA 47 1HB ALA 47 -10.492 -7.227 -2.797 308 2HB ALA 47 2HB ALA 47 -10.258 -6.353 -4.330 309 3HB ALA 47 3HB ALA 47 -10.362 -8.128 -4.321 310 H VAL 48 H VAL 48 -7.625 -5.426 -5.076 311 HA VAL 48 HA VAL 48 -7.187 -6.885 -7.502 312 HB VAL 48 HB VAL 48 -6.409 -4.149 -6.505 313 1HG1 VAL 48 1HG1 VAL 48 -5.737 -5.370 -9.199 314 2HG1 VAL 48 2HG1 VAL 48 -5.737 -3.628 -8.841 315 3HG1 VAL 48 3HG1 VAL 48 -4.608 -4.694 -7.995 316 1HG2 VAL 48 1HG2 VAL 48 -8.814 -4.705 -7.145 317 2HG2 VAL 48 2HG2 VAL 48 -8.073 -3.403 -8.088 318 3HG2 VAL 48 3HG2 VAL 48 -8.226 -5.029 -8.783 319 H CYS 49 H CYS 49 -5.023 -6.129 -4.716 320 HA CYS 49 HA CYS 49 -2.659 -7.189 -5.975 321 1HB CYS 49 1HB CYS 49 -2.875 -5.824 -3.790 322 2HB CYS 49 2HB CYS 49 -3.269 -7.391 -3.051 323 HA PRO 50 HA PRO 50 -4.710 -11.260 -5.964 324 1HB PRO 50 1HB PRO 50 -3.111 -12.653 -7.655 325 2HB PRO 50 2HB PRO 50 -4.040 -11.236 -8.208 326 1HG PRO 50 1HG PRO 50 -1.133 -11.286 -7.331 327 2HG PRO 50 2HG PRO 50 -1.801 -10.626 -8.852 328 1HD PRO 50 1HD PRO 50 -1.322 -9.056 -6.651 329 2HD PRO 50 2HD PRO 50 -2.684 -8.751 -7.762 330 H VAL 51 H VAL 51 -3.480 -10.731 -3.659 331 HA VAL 51 HA VAL 51 -2.270 -13.093 -2.601 332 HB VAL 51 HB VAL 51 -0.096 -12.714 -2.902 333 1HG1 VAL 51 1HG1 VAL 51 -0.801 -10.046 -4.196 334 2HG1 VAL 51 2HG1 VAL 51 0.839 -10.713 -4.116 335 3HG1 VAL 51 3HG1 VAL 51 -0.380 -11.576 -5.021 336 1HG2 VAL 51 1HG2 VAL 51 -0.115 -11.444 -0.751 337 2HG2 VAL 51 2HG2 VAL 51 1.114 -10.873 -1.870 338 3HG2 VAL 51 3HG2 VAL 51 -0.393 -9.956 -1.712 339 H SER 52 H SER 52 -3.477 -9.748 -2.313 340 HA SER 52 HA SER 52 -4.036 -8.462 -0.602 341 1HB SER 52 1HB SER 52 -4.519 -11.096 0.829 342 2HB SER 52 2HB SER 52 -5.180 -9.510 1.275 343 HG SER 52 HG SER 52 -6.504 -9.550 -0.376 344 H ALA 53 H ALA 53 -1.509 -8.269 -0.859 345 HA ALA 53 HA ALA 53 0.010 -8.824 1.613 346 1HB ALA 53 1HB ALA 53 0.643 -7.196 -0.884 347 2HB ALA 53 2HB ALA 53 1.754 -7.459 0.476 348 3HB ALA 53 3HB ALA 53 1.233 -8.833 -0.500 349 H ILE 54 H ILE 54 -2.120 -6.412 0.336 350 HA ILE 54 HA ILE 54 -1.174 -4.165 1.882 351 HB ILE 54 HB ILE 54 -3.794 -4.734 0.426 352 1HG1 ILE 54 1HG1 ILE 54 -1.451 -2.972 -0.325 353 2HG1 ILE 54 2HG1 ILE 54 -1.616 -4.612 -0.957 354 1HG2 ILE 54 1HG2 ILE 54 -2.663 -2.146 1.608 355 2HG2 ILE 54 2HG2 ILE 54 -4.134 -2.240 0.622 356 3HG2 ILE 54 3HG2 ILE 54 -4.083 -3.055 2.173 357 1HD1 ILE 54 1HD1 ILE 54 -3.940 -2.779 -1.441 358 2HD1 ILE 54 2HD1 ILE 54 -2.438 -2.503 -2.337 359 3HD1 ILE 54 3HD1 ILE 54 -3.257 -4.067 -2.431 360 H TYR 55 H TYR 55 -1.402 -4.081 4.104 361 HA TYR 55 HA TYR 55 -3.718 -5.487 5.385 362 1HB TYR 55 1HB TYR 55 -0.859 -5.072 6.306 363 2HB TYR 55 2HB TYR 55 -2.130 -5.667 7.345 364 HD1 TYR 55 HD1 TYR 55 -3.532 -7.722 5.918 365 HD2 TYR 55 HD2 TYR 55 0.664 -6.738 5.652 366 HE1 TYR 55 HE1 TYR 55 -3.104 -9.833 4.714 367 HE2 TYR 55 HE2 TYR 55 1.092 -8.900 4.538 368 HH TYR 55 HH TYR 55 -1.492 -10.564 3.037 369 H HIS 56 H HIS 56 -4.202 -4.432 7.565 370 HA HIS 56 HA HIS 56 -4.426 -1.574 7.207 371 1HB HIS 56 1HB HIS 56 -4.764 -3.369 9.600 372 2HB HIS 56 2HB HIS 56 -5.175 -1.673 9.592 373 HD1 HIS 56 HD1 HIS 56 -7.716 -1.963 10.065 374 HD2 HIS 56 HD2 HIS 56 -6.306 -4.298 6.858 375 HE1 HIS 56 HE1 HIS 56 -9.750 -3.083 9.006 376 H GLU 57 H GLU 57 -3.134 0.073 8.243 377 HA GLU 57 HA GLU 57 -0.496 -0.588 8.621 378 1HB GLU 57 1HB GLU 57 -0.381 1.643 9.763 379 2HB GLU 57 2HB GLU 57 -1.028 1.679 8.105 380 1HG GLU 57 1HG GLU 57 -3.206 1.941 8.886 381 2HG GLU 57 2HG GLU 57 -2.706 1.631 10.574 382 H ASP 58 H ASP 58 -3.021 -0.392 10.986 383 HA ASP 58 HA ASP 58 -1.612 -0.874 13.341 384 1HB ASP 58 1HB ASP 58 -3.996 -0.352 13.282 385 2HB ASP 58 2HB ASP 58 -4.328 -1.889 12.458 386 H PHE 59 H PHE 59 -2.433 -3.123 10.762 387 HA PHE 59 HA PHE 59 -2.076 -5.521 12.437 388 1HB PHE 59 1HB PHE 59 -2.740 -5.042 9.501 389 2HB PHE 59 2HB PHE 59 -2.478 -6.607 10.212 390 HD1 PHE 59 HD1 PHE 59 -4.251 -4.667 12.656 391 HD2 PHE 59 HD2 PHE 59 -4.759 -6.843 8.950 392 HE1 PHE 59 HE1 PHE 59 -6.655 -4.778 13.054 393 HE2 PHE 59 HE2 PHE 59 -7.200 -6.942 9.364 394 HZ PHE 59 HZ PHE 59 -8.159 -5.916 11.415 395 H VAL 60 H VAL 60 -0.367 -3.646 9.946 396 HA VAL 60 HA VAL 60 1.531 -5.574 9.224 397 HB VAL 60 HB VAL 60 1.675 -2.549 9.309 398 1HG1 VAL 60 1HG1 VAL 60 3.715 -4.578 8.317 399 2HG1 VAL 60 2HG1 VAL 60 3.679 -2.893 7.765 400 3HG1 VAL 60 3HG1 VAL 60 3.967 -3.251 9.471 401 1HG2 VAL 60 1HG2 VAL 60 1.299 -4.670 7.138 402 2HG2 VAL 60 2HG2 VAL 60 0.069 -3.542 7.740 403 3HG2 VAL 60 3HG2 VAL 60 1.438 -2.943 6.810 404 HA PRO 61 HA PRO 61 3.515 -6.201 13.204 405 1HB PRO 61 1HB PRO 61 5.832 -7.089 11.475 406 2HB PRO 61 2HB PRO 61 5.157 -7.888 12.919 407 1HG PRO 61 1HG PRO 61 4.539 -8.806 10.439 408 2HG PRO 61 2HG PRO 61 3.255 -8.659 11.678 409 1HD PRO 61 1HD PRO 61 3.875 -6.759 9.406 410 2HD PRO 61 2HD PRO 61 2.303 -7.388 10.002 411 H GLU 62 H GLU 62 4.986 -5.031 14.545 412 HA GLU 62 HA GLU 62 5.911 -2.573 14.181 413 1HB GLU 62 1HB GLU 62 6.492 -4.979 15.837 414 2HB GLU 62 2HB GLU 62 7.521 -3.594 15.984 415 1HG GLU 62 1HG GLU 62 5.587 -3.588 17.609 416 2HG GLU 62 2HG GLU 62 5.624 -2.154 16.573 417 H GLU 63 H GLU 63 7.869 -5.494 13.417 418 HA GLU 63 HA GLU 63 10.264 -4.285 12.654 419 1HB GLU 63 1HB GLU 63 8.833 -6.537 11.195 420 2HB GLU 63 2HB GLU 63 10.556 -6.157 11.157 421 1HG GLU 63 1HG GLU 63 10.626 -7.824 12.696 422 2HG GLU 63 2HG GLU 63 10.332 -6.499 13.824 423 H TRP 64 H TRP 64 7.220 -4.534 10.869 424 HA TRP 64 HA TRP 64 8.266 -2.983 8.567 425 1HB TRP 64 1HB TRP 64 5.999 -4.942 8.908 426 2HB TRP 64 2HB TRP 64 6.213 -3.973 7.456 427 HD1 TRP 64 HD1 TRP 64 9.603 -4.555 7.777 428 HE1 TRP 64 HE1 TRP 64 10.402 -6.661 6.543 429 HE3 TRP 64 HE3 TRP 64 5.127 -7.049 7.308 430 HZ2 TRP 64 HZ2 TRP 64 9.347 -9.111 5.656 431 HZ3 TRP 64 HZ3 TRP 64 5.067 -9.225 6.127 432 HH2 TRP 64 HH2 TRP 64 7.187 -10.189 5.178 433 H LYS 65 H LYS 65 6.534 -2.277 11.444 434 HA LYS 65 HA LYS 65 4.630 -0.437 10.457 435 1HB LYS 65 1HB LYS 65 6.338 -0.718 12.947 436 2HB LYS 65 2HB LYS 65 5.317 0.628 12.724 437 1HG LYS 65 1HG LYS 65 4.285 -2.224 12.753 438 2HG LYS 65 2HG LYS 65 4.297 -1.098 14.132 439 1HD LYS 65 1HD LYS 65 2.921 0.442 12.526 440 2HD LYS 65 2HD LYS 65 2.595 -1.079 11.669 441 1HE LYS 65 1HE LYS 65 1.959 -0.439 14.602 442 2HE LYS 65 2HE LYS 65 0.806 -0.562 13.274 443 1HZ LYS 65 1HZ LYS 65 1.871 -2.941 13.135 444 2HZ LYS 65 2HZ LYS 65 2.189 -2.652 14.726 445 3HZ LYS 65 3HZ LYS 65 0.625 -2.639 14.144 446 H SER 66 H SER 66 8.134 -0.508 10.460 447 HA SER 66 HA SER 66 8.893 2.163 10.074 448 1HB SER 66 1HB SER 66 10.649 0.979 8.592 449 2HB SER 66 2HB SER 66 10.520 0.414 10.271 450 HG SER 66 HG SER 66 10.070 -1.502 9.458 451 H TYR 67 H TYR 67 7.459 -0.217 7.747 452 HA TYR 67 HA TYR 67 7.572 1.598 5.501 453 1HB TYR 67 1HB TYR 67 5.808 -0.815 6.028 454 2HB TYR 67 2HB TYR 67 5.686 0.208 4.608 455 HD1 TYR 67 HD1 TYR 67 7.897 -2.217 6.387 456 HD2 TYR 67 HD2 TYR 67 7.272 0.085 2.800 457 HE1 TYR 67 HE1 TYR 67 9.654 -3.538 5.233 458 HE2 TYR 67 HE2 TYR 67 9.015 -1.252 1.645 459 HH TYR 67 HH TYR 67 10.801 -3.913 3.237 460 H ILE 68 H ILE 68 5.158 1.154 8.182 461 HA ILE 68 HA ILE 68 3.079 2.620 6.817 462 HB ILE 68 HB ILE 68 3.663 1.681 9.647 463 1HG1 ILE 68 1HG1 ILE 68 1.722 0.378 9.390 464 2HG1 ILE 68 2HG1 ILE 68 1.267 1.196 7.883 465 1HG2 ILE 68 1HG2 ILE 68 1.409 3.522 8.859 466 2HG2 ILE 68 2HG2 ILE 68 1.562 2.627 10.397 467 3HG2 ILE 68 3HG2 ILE 68 2.745 3.865 9.994 468 1HD1 ILE 68 1HD1 ILE 68 3.690 -0.593 8.220 469 2HD1 ILE 68 2HD1 ILE 68 2.125 -1.042 7.517 470 3HD1 ILE 68 3HD1 ILE 68 3.121 0.140 6.693 471 H GLN 69 H GLN 69 5.659 3.359 9.170 472 HA GLN 69 HA GLN 69 5.227 6.136 9.346 473 1HB GLN 69 1HB GLN 69 6.702 4.730 10.768 474 2HB GLN 69 2HB GLN 69 7.906 4.675 9.481 475 1HG GLN 69 1HG GLN 69 6.909 7.370 10.453 476 2HG GLN 69 2HG GLN 69 8.002 6.432 11.468 477 1HE2 GLN 69 2HE2 GLN 69 7.747 8.102 8.324 478 2HE2 GLN 69 1HE2 GLN 69 9.489 8.240 8.128 479 H LYS 70 H LYS 70 7.176 4.272 6.953 480 HA LYS 70 HA LYS 70 8.063 6.573 5.568 481 1HB LYS 70 1HB LYS 70 9.024 4.168 5.415 482 2HB LYS 70 2HB LYS 70 7.627 3.786 4.431 483 1HG LYS 70 1HG LYS 70 9.458 4.181 2.946 484 2HG LYS 70 2HG LYS 70 8.290 5.467 2.770 485 1HD LYS 70 1HD LYS 70 10.017 6.602 4.655 486 2HD LYS 70 2HD LYS 70 11.095 5.503 3.814 487 1HE LYS 70 1HE LYS 70 11.231 7.626 2.699 488 2HE LYS 70 2HE LYS 70 10.343 6.543 1.619 489 1HZ LYS 70 1HZ LYS 70 8.281 7.608 2.612 490 2HZ LYS 70 2HZ LYS 70 9.269 8.685 3.345 491 3HZ LYS 70 3HZ LYS 70 9.219 8.604 1.706 492 H ASN 71 H ASN 71 5.355 4.425 4.929 493 HA ASN 71 HA ASN 71 4.294 5.708 2.629 494 1HB ASN 71 1HB ASN 71 3.113 3.956 4.740 495 2HB ASN 71 2HB ASN 71 2.104 4.725 3.532 496 1HD2 ASN 71 2HD2 ASN 71 4.722 2.355 3.900 497 2HD2 ASN 71 1HD2 ASN 71 4.431 1.591 2.338 498 H ARG 72 H ARG 72 3.746 6.430 6.127 499 HA ARG 72 HA ARG 72 1.774 8.423 5.847 500 1HB ARG 72 1HB ARG 72 2.604 7.208 7.861 501 2HB ARG 72 2HB ARG 72 4.034 8.194 7.868 502 1HG ARG 72 1HG ARG 72 3.017 9.919 8.861 503 2HG ARG 72 2HG ARG 72 1.672 9.901 7.705 504 1HD ARG 72 1HD ARG 72 1.948 7.950 9.990 505 2HD ARG 72 2HD ARG 72 0.954 9.419 10.027 506 HE ARG 72 HE ARG 72 -0.073 8.454 7.841 507 1HH1 ARG 72 1HH1 ARG 72 0.993 6.211 10.376 508 2HH1 ARG 72 2HH1 ARG 72 -0.496 5.300 10.373 509 1HH2 ARG 72 1HH2 ARG 72 -2.196 7.581 8.306 510 2HH2 ARG 72 2HH2 ARG 72 -2.268 5.934 8.979 511 H ASP 73 H ASP 73 5.259 8.517 6.272 512 HA ASP 73 HA ASP 73 5.781 11.236 6.230 513 1HB ASP 73 1HB ASP 73 7.297 9.564 7.059 514 2HB ASP 73 2HB ASP 73 7.285 8.677 5.550 515 H PHE 74 H PHE 74 6.124 8.998 3.519 516 HA PHE 74 HA PHE 74 7.365 10.354 1.587 517 1HB PHE 74 1HB PHE 74 5.200 8.401 1.561 518 2HB PHE 74 2HB PHE 74 5.255 9.445 0.155 519 HD1 PHE 74 HD1 PHE 74 7.443 9.867 -1.067 520 HD2 PHE 74 HD2 PHE 74 6.468 6.386 1.263 521 HE1 PHE 74 HE1 PHE 74 8.984 8.488 -2.441 522 HE2 PHE 74 HE2 PHE 74 8.186 5.084 -0.002 523 HZ PHE 74 HZ PHE 74 9.538 6.181 -1.751 524 H PHE 75 H PHE 75 3.930 10.915 2.278 525 HA PHE 75 HA PHE 75 3.901 13.148 0.301 526 1HB PHE 75 1HB PHE 75 1.510 11.844 1.470 527 2HB PHE 75 2HB PHE 75 1.679 12.645 -0.074 528 HD1 PHE 75 HD1 PHE 75 3.310 11.492 -1.812 529 HD2 PHE 75 HD2 PHE 75 1.762 9.471 1.670 530 HE1 PHE 75 HE1 PHE 75 4.027 9.307 -2.743 531 HE2 PHE 75 HE2 PHE 75 2.318 7.293 0.664 532 HZ PHE 75 HZ PHE 75 3.502 7.204 -1.513 533 H LYS 76 H LYS 76 4.267 12.852 3.668 534 HA LYS 76 HA LYS 76 2.149 14.794 4.326 535 1HB LYS 76 1HB LYS 76 3.750 12.871 5.806 536 2HB LYS 76 2HB LYS 76 3.938 14.463 6.505 537 1HG LYS 76 1HG LYS 76 2.131 13.746 7.659 538 2HG LYS 76 2HG LYS 76 1.296 14.619 6.382 539 1HD LYS 76 1HD LYS 76 1.889 11.644 6.471 540 2HD LYS 76 2HD LYS 76 0.362 12.320 7.011 541 1HE LYS 76 1HE LYS 76 -0.396 12.771 4.839 542 2HE LYS 76 2HE LYS 76 1.225 12.760 4.137 543 1HZ LYS 76 1HZ LYS 76 -0.090 10.341 5.168 544 2HZ LYS 76 2HZ LYS 76 0.004 10.777 3.595 545 3HZ LYS 76 3HZ LYS 76 1.389 10.461 4.439 546 H LYS 77 H LYS 77 5.695 14.921 3.686 547 HA LYS 77 HA LYS 77 5.542 17.631 3.102 548 1HB LYS 77 1HB LYS 77 7.025 18.469 4.672 549 2HB LYS 77 2HB LYS 77 5.715 17.787 5.635 550 1HG LYS 77 1HG LYS 77 8.456 16.499 5.163 551 2HG LYS 77 2HG LYS 77 8.043 17.492 6.539 552 1HD LYS 77 1HD LYS 77 7.049 15.855 7.655 553 2HD LYS 77 2HD LYS 77 6.057 15.359 6.301 554 1HE LYS 77 1HE LYS 77 8.990 14.590 6.669 555 2HE LYS 77 2HE LYS 77 7.628 13.578 7.151 556 1HZ LYS 77 1HZ LYS 77 8.115 14.390 4.330 557 2HZ LYS 77 2HZ LYS 77 8.528 12.946 5.083 558 3HZ LYS 77 3HZ LYS 77 6.985 13.353 4.854 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -6.462 2.120 7.884 2 2H ALA 1 2H ALA 1 -6.526 3.619 8.119 3 3H ALA 1 3H ALA 1 -7.740 2.881 7.579 4 HA ALA 1 HA ALA 1 -6.998 3.020 5.309 5 1HB ALA 1 1HB ALA 1 -6.053 5.133 5.989 6 2HB ALA 1 2HB ALA 1 -4.532 4.359 6.493 7 3HB ALA 1 3HB ALA 1 -5.031 4.319 4.786 8 H TYR 2 H TYR 2 -5.202 2.111 3.808 9 HA TYR 2 HA TYR 2 -4.006 -0.281 5.167 10 1HB TYR 2 1HB TYR 2 -4.674 -0.062 2.232 11 2HB TYR 2 2HB TYR 2 -4.171 -1.464 3.186 12 HD1 TYR 2 HD1 TYR 2 -6.131 -1.147 5.540 13 HD2 TYR 2 HD2 TYR 2 -6.603 -1.132 1.256 14 HE1 TYR 2 HE1 TYR 2 -8.596 -1.503 5.776 15 HE2 TYR 2 HE2 TYR 2 -9.017 -1.541 1.529 16 HH TYR 2 HH TYR 2 -10.527 -0.818 4.582 17 H VAL 3 H VAL 3 -1.988 -0.899 4.664 18 HA VAL 3 HA VAL 3 -0.309 0.991 3.074 19 HB VAL 3 HB VAL 3 0.356 -0.237 5.782 20 1HG1 VAL 3 1HG1 VAL 3 2.004 1.358 3.777 21 2HG1 VAL 3 2HG1 VAL 3 2.397 1.319 5.500 22 3HG1 VAL 3 3HG1 VAL 3 2.405 -0.182 4.568 23 1HG2 VAL 3 1HG2 VAL 3 -0.230 2.602 4.835 24 2HG2 VAL 3 2HG2 VAL 3 -1.175 1.653 5.984 25 3HG2 VAL 3 3HG2 VAL 3 0.447 2.206 6.431 26 H ILE 4 H ILE 4 1.189 0.162 1.825 27 HA ILE 4 HA ILE 4 1.132 -2.683 1.097 28 HB ILE 4 HB ILE 4 2.491 -0.200 -0.049 29 1HG1 ILE 4 1HG1 ILE 4 0.250 -1.928 -1.153 30 2HG1 ILE 4 2HG1 ILE 4 -0.044 -0.472 -0.202 31 1HG2 ILE 4 1HG2 ILE 4 2.440 -3.087 -1.023 32 2HG2 ILE 4 2HG2 ILE 4 2.990 -1.722 -2.013 33 3HG2 ILE 4 3HG2 ILE 4 3.886 -2.156 -0.564 34 1HD1 ILE 4 1HD1 ILE 4 1.335 -0.576 -2.895 35 2HD1 ILE 4 2HD1 ILE 4 -0.326 -0.075 -2.577 36 3HD1 ILE 4 3HD1 ILE 4 1.011 0.886 -1.927 37 H THR 5 H THR 5 2.880 -4.078 1.411 38 HA THR 5 HA THR 5 5.210 -3.034 2.957 39 HB THR 5 HB THR 5 5.075 -5.079 4.347 40 HG1 THR 5 HG1 THR 5 2.505 -5.453 3.174 41 1HG2 THR 5 1HG2 THR 5 4.053 -2.932 5.115 42 2HG2 THR 5 2HG2 THR 5 2.483 -3.488 4.486 43 3HG2 THR 5 3HG2 THR 5 3.297 -4.397 5.773 44 H GLU 6 H GLU 6 6.878 -4.630 3.103 45 HA GLU 6 HA GLU 6 8.464 -5.318 1.293 46 1HB GLU 6 1HB GLU 6 8.405 -5.930 3.685 47 2HB GLU 6 2HB GLU 6 7.692 -7.473 3.250 48 1HG GLU 6 1HG GLU 6 9.665 -8.244 2.470 49 2HG GLU 6 2HG GLU 6 10.129 -6.695 1.792 50 HA PRO 7 HA PRO 7 6.793 -9.277 -0.596 51 1HB PRO 7 1HB PRO 7 3.825 -9.240 -0.186 52 2HB PRO 7 2HB PRO 7 4.944 -10.626 -0.172 53 1HG PRO 7 1HG PRO 7 3.994 -9.643 2.172 54 2HG PRO 7 2HG PRO 7 5.739 -10.034 2.021 55 1HD PRO 7 1HD PRO 7 4.408 -7.344 1.603 56 2HD PRO 7 2HD PRO 7 5.707 -7.716 2.739 57 H CYS 8 H CYS 8 5.081 -6.210 -0.895 58 HA CYS 8 HA CYS 8 4.134 -6.584 -3.596 59 1HB CYS 8 1HB CYS 8 3.239 -4.801 -2.292 60 2HB CYS 8 2HB CYS 8 4.854 -4.196 -1.918 61 H ILE 9 H ILE 9 7.321 -5.906 -2.183 62 HA ILE 9 HA ILE 9 8.431 -4.357 -4.173 63 HB ILE 9 HB ILE 9 9.685 -6.065 -2.158 64 1HG1 ILE 9 1HG1 ILE 9 9.949 -3.061 -2.631 65 2HG1 ILE 9 2HG1 ILE 9 8.352 -3.639 -2.169 66 1HG2 ILE 9 1HG2 ILE 9 11.057 -4.303 -4.250 67 2HG2 ILE 9 2HG2 ILE 9 11.820 -4.898 -2.760 68 3HG2 ILE 9 3HG2 ILE 9 11.335 -6.043 -4.015 69 1HD1 ILE 9 1HD1 ILE 9 10.000 -4.920 -0.386 70 2HD1 ILE 9 2HD1 ILE 9 10.622 -3.249 -0.509 71 3HD1 ILE 9 3HD1 ILE 9 8.895 -3.541 -0.151 72 H GLY 10 H GLY 10 8.120 -4.879 -6.284 73 1HA GLY 10 1HA GLY 10 9.691 -6.904 -7.609 74 2HA GLY 10 2HA GLY 10 7.995 -7.401 -7.417 75 H THR 11 H THR 11 9.586 -4.266 -8.034 76 HA THR 11 HA THR 11 9.351 -2.680 -9.519 77 HB THR 11 HB THR 11 10.590 -4.290 -10.870 78 HG1 THR 11 HG1 THR 11 10.281 -2.265 -11.647 79 1HG2 THR 11 1HG2 THR 11 7.876 -5.264 -11.718 80 2HG2 THR 11 2HG2 THR 11 9.090 -5.062 -12.978 81 3HG2 THR 11 3HG2 THR 11 9.430 -6.119 -11.600 82 H LYS 12 H LYS 12 7.877 -2.538 -11.938 83 HA LYS 12 HA LYS 12 5.578 -1.227 -10.758 84 1HB LYS 12 1HB LYS 12 6.766 -1.380 -13.541 85 2HB LYS 12 2HB LYS 12 5.255 -0.513 -13.209 86 1HG LYS 12 1HG LYS 12 6.224 1.155 -12.135 87 2HG LYS 12 2HG LYS 12 7.350 0.108 -11.238 88 1HD LYS 12 1HD LYS 12 8.886 0.035 -13.109 89 2HD LYS 12 2HD LYS 12 7.767 0.954 -14.130 90 1HE LYS 12 1HE LYS 12 9.798 2.178 -12.920 91 2HE LYS 12 2HE LYS 12 8.223 2.977 -13.094 92 1HZ LYS 12 1HZ LYS 12 7.709 2.150 -10.841 93 2HZ LYS 12 2HZ LYS 12 9.319 1.733 -10.667 94 3HZ LYS 12 3HZ LYS 12 8.778 3.294 -10.851 95 H CYS 13 H CYS 13 4.879 -3.396 -9.953 96 HA CYS 13 HA CYS 13 3.241 -5.131 -11.510 97 1HB CYS 13 1HB CYS 13 3.772 -5.852 -9.386 98 2HB CYS 13 2HB CYS 13 3.431 -4.289 -8.675 99 H ALA 14 H ALA 14 2.444 -2.201 -9.642 100 HA ALA 14 HA ALA 14 0.697 -0.774 -9.634 101 1HB ALA 14 1HB ALA 14 1.191 -0.506 -12.071 102 2HB ALA 14 2HB ALA 14 -0.029 -1.738 -12.441 103 3HB ALA 14 3HB ALA 14 -0.502 -0.227 -11.652 104 H SER 15 H SER 15 -1.914 -1.900 -11.269 105 HA SER 15 HA SER 15 -3.590 -3.292 -11.020 106 1HB SER 15 1HB SER 15 -2.173 -4.820 -8.808 107 2HB SER 15 2HB SER 15 -3.612 -5.285 -9.703 108 HG SER 15 HG SER 15 -1.041 -4.832 -10.865 109 H CYS 16 H CYS 16 -2.166 -2.566 -7.837 110 HA CYS 16 HA CYS 16 -4.611 -1.810 -6.507 111 1HB CYS 16 1HB CYS 16 -2.987 -0.486 -5.025 112 2HB CYS 16 2HB CYS 16 -2.850 -2.251 -5.079 113 H VAL 17 H VAL 17 -2.326 -0.116 -8.589 114 HA VAL 17 HA VAL 17 -3.194 2.530 -8.307 115 HB VAL 17 HB VAL 17 -2.085 1.121 -10.686 116 1HG1 VAL 17 1HG1 VAL 17 -2.414 4.110 -10.240 117 2HG1 VAL 17 2HG1 VAL 17 -1.401 3.376 -11.494 118 3HG1 VAL 17 3HG1 VAL 17 -3.150 3.140 -11.532 119 1HG2 VAL 17 1HG2 VAL 17 -0.607 1.138 -8.692 120 2HG2 VAL 17 2HG2 VAL 17 0.024 2.129 -10.015 121 3HG2 VAL 17 3HG2 VAL 17 -0.760 2.907 -8.621 122 H GLU 18 H GLU 18 -4.205 0.259 -10.879 123 HA GLU 18 HA GLU 18 -6.007 1.953 -12.114 124 1HB GLU 18 1HB GLU 18 -5.845 -0.962 -12.214 125 2HB GLU 18 2HB GLU 18 -6.677 0.053 -13.387 126 1HG GLU 18 1HG GLU 18 -4.738 -0.196 -14.530 127 2HG GLU 18 2HG GLU 18 -4.283 1.232 -13.601 128 H VAL 19 H VAL 19 -6.754 0.983 -9.048 129 HA VAL 19 HA VAL 19 -9.675 0.806 -9.691 130 HB VAL 19 HB VAL 19 -9.950 -0.767 -7.877 131 1HG1 VAL 19 1HG1 VAL 19 -9.641 -1.550 -10.236 132 2HG1 VAL 19 2HG1 VAL 19 -7.923 -1.837 -9.880 133 3HG1 VAL 19 3HG1 VAL 19 -9.177 -2.743 -9.012 134 1HG2 VAL 19 1HG2 VAL 19 -7.916 -0.212 -6.525 135 2HG2 VAL 19 2HG2 VAL 19 -8.106 -1.943 -6.837 136 3HG2 VAL 19 3HG2 VAL 19 -6.918 -1.008 -7.762 137 H CYS 20 H CYS 20 -7.258 2.599 -7.967 138 HA CYS 20 HA CYS 20 -8.804 2.850 -5.621 139 1HB CYS 20 1HB CYS 20 -6.399 3.212 -5.680 140 2HB CYS 20 2HB CYS 20 -6.722 4.675 -6.620 141 HA PRO 21 HA PRO 21 -11.982 5.629 -7.107 142 1HB PRO 21 1HB PRO 21 -12.189 6.624 -4.298 143 2HB PRO 21 2HB PRO 21 -13.447 5.904 -5.331 144 1HG PRO 21 1HG PRO 21 -12.214 4.567 -3.223 145 2HG PRO 21 2HG PRO 21 -12.878 3.745 -4.662 146 1HD PRO 21 1HD PRO 21 -10.004 4.324 -4.020 147 2HD PRO 21 2HD PRO 21 -10.770 2.998 -4.957 148 H VAL 22 H VAL 22 -9.242 6.784 -5.159 149 HA VAL 22 HA VAL 22 -9.370 9.426 -6.433 150 HB VAL 22 HB VAL 22 -10.887 9.653 -4.567 151 1HG1 VAL 22 1HG1 VAL 22 -9.091 7.995 -3.083 152 2HG1 VAL 22 2HG1 VAL 22 -9.113 9.571 -2.286 153 3HG1 VAL 22 3HG1 VAL 22 -10.627 8.702 -2.565 154 1HG2 VAL 22 1HG2 VAL 22 -9.313 11.511 -5.292 155 2HG2 VAL 22 2HG2 VAL 22 -10.077 11.671 -3.700 156 3HG2 VAL 22 3HG2 VAL 22 -8.378 11.179 -3.823 157 H ASP 23 H ASP 23 -7.626 8.202 -7.357 158 HA ASP 23 HA ASP 23 -5.453 7.170 -7.174 159 1HB ASP 23 1HB ASP 23 -5.496 10.137 -7.823 160 2HB ASP 23 2HB ASP 23 -4.290 8.972 -8.384 161 H CYS 24 H CYS 24 -5.355 6.965 -4.626 162 HA CYS 24 HA CYS 24 -3.150 8.740 -3.640 163 1HB CYS 24 1HB CYS 24 -3.893 8.382 -1.444 164 2HB CYS 24 2HB CYS 24 -5.285 8.927 -2.406 165 HG CYS 24 HG CYS 24 -4.420 5.910 -1.373 166 H ILE 25 H ILE 25 -2.650 6.693 -5.362 167 HA ILE 25 HA ILE 25 -1.153 4.706 -3.779 168 HB ILE 25 HB ILE 25 -1.494 3.518 -6.261 169 1HG1 ILE 25 1HG1 ILE 25 -3.995 3.302 -6.467 170 2HG1 ILE 25 2HG1 ILE 25 -4.210 4.701 -5.451 171 1HG2 ILE 25 1HG2 ILE 25 -1.521 2.435 -4.034 172 2HG2 ILE 25 2HG2 ILE 25 -3.192 3.024 -3.811 173 3HG2 ILE 25 3HG2 ILE 25 -2.818 1.863 -5.090 174 1HD1 ILE 25 1HD1 ILE 25 -2.591 4.737 -8.046 175 2HD1 ILE 25 2HD1 ILE 25 -4.319 5.129 -7.953 176 3HD1 ILE 25 3HD1 ILE 25 -3.128 6.149 -7.137 177 H HIS 26 H HIS 26 1.019 4.964 -4.115 178 HA HIS 26 HA HIS 26 2.006 6.668 -6.339 179 1HB HIS 26 1HB HIS 26 2.703 6.610 -3.340 180 2HB HIS 26 2HB HIS 26 3.348 7.694 -4.563 181 HD1 HIS 26 HD1 HIS 26 1.393 9.395 -5.745 182 HD2 HIS 26 HD2 HIS 26 0.358 7.315 -2.238 183 HE1 HIS 26 HE1 HIS 26 -0.758 10.451 -4.875 184 H GLU 27 H GLU 27 4.427 6.344 -6.536 185 HA GLU 27 HA GLU 27 5.263 3.572 -5.892 186 1HB GLU 27 1HB GLU 27 6.638 5.704 -7.596 187 2HB GLU 27 2HB GLU 27 7.256 4.083 -7.218 188 1HG GLU 27 1HG GLU 27 5.170 3.121 -8.095 189 2HG GLU 27 2HG GLU 27 4.795 4.711 -8.811 190 H GLY 28 H GLY 28 7.248 3.202 -4.889 191 1HA GLY 28 1HA GLY 28 8.795 5.422 -3.752 192 2HA GLY 28 2HA GLY 28 8.085 4.322 -2.561 193 H GLU 29 H GLU 29 9.895 4.412 -5.567 194 HA GLU 29 HA GLU 29 11.508 3.232 -6.546 195 1HB GLU 29 1HB GLU 29 12.131 2.385 -3.723 196 2HB GLU 29 2HB GLU 29 13.212 2.286 -5.111 197 1HG GLU 29 1HG GLU 29 12.934 4.410 -3.238 198 2HG GLU 29 2HG GLU 29 14.006 4.325 -4.633 199 H ASP 30 H ASP 30 10.204 1.897 -7.751 200 HA ASP 30 HA ASP 30 8.967 0.160 -8.385 201 1HB ASP 30 1HB ASP 30 11.859 -0.365 -7.931 202 2HB ASP 30 2HB ASP 30 10.883 -1.758 -8.297 203 H GLN 31 H GLN 31 8.038 0.663 -5.938 204 HA GLN 31 HA GLN 31 6.473 -1.675 -5.659 205 1HB GLN 31 1HB GLN 31 6.744 -1.914 -3.267 206 2HB GLN 31 2HB GLN 31 8.287 -2.201 -4.064 207 1HG GLN 31 1HG GLN 31 9.338 -0.573 -2.946 208 2HG GLN 31 2HG GLN 31 8.113 0.618 -3.318 209 1HE2 GLN 31 2HE2 GLN 31 5.888 -0.160 -2.095 210 2HE2 GLN 31 1HE2 GLN 31 6.106 -0.321 -0.366 211 H TYR 32 H TYR 32 4.544 -0.920 -4.286 212 HA TYR 32 HA TYR 32 4.162 1.967 -4.851 213 1HB TYR 32 1HB TYR 32 2.301 -0.384 -4.964 214 2HB TYR 32 2HB TYR 32 1.674 1.244 -4.712 215 HD1 TYR 32 HD1 TYR 32 3.968 -0.669 -7.010 216 HD2 TYR 32 HD2 TYR 32 1.346 2.721 -6.523 217 HE1 TYR 32 HE1 TYR 32 4.460 0.051 -9.315 218 HE2 TYR 32 HE2 TYR 32 1.871 3.443 -8.831 219 HH TYR 32 HH TYR 32 4.531 2.290 -10.506 220 H TYR 33 H TYR 33 2.652 3.128 -3.466 221 HA TYR 33 HA TYR 33 2.679 2.396 -0.588 222 1HB TYR 33 1HB TYR 33 3.956 4.734 -2.043 223 2HB TYR 33 2HB TYR 33 3.235 5.031 -0.487 224 HD1 TYR 33 HD1 TYR 33 4.068 3.728 1.531 225 HD2 TYR 33 HD2 TYR 33 5.965 3.393 -2.294 226 HE1 TYR 33 HE1 TYR 33 5.968 2.523 2.593 227 HE2 TYR 33 HE2 TYR 33 7.939 2.333 -1.226 228 HH TYR 33 HH TYR 33 8.500 1.015 0.666 229 H ILE 34 H ILE 34 0.911 3.459 0.525 230 HA ILE 34 HA ILE 34 -1.113 4.643 -1.229 231 HB ILE 34 HB ILE 34 -1.339 2.589 0.975 232 1HG1 ILE 34 1HG1 ILE 34 -2.833 2.758 -1.669 233 2HG1 ILE 34 2HG1 ILE 34 -1.260 1.991 -1.585 234 1HG2 ILE 34 1HG2 ILE 34 -3.485 4.522 0.021 235 2HG2 ILE 34 2HG2 ILE 34 -3.854 3.051 0.936 236 3HG2 ILE 34 3HG2 ILE 34 -2.899 4.310 1.686 237 1HD1 ILE 34 1HD1 ILE 34 -3.519 1.062 0.230 238 2HD1 ILE 34 2HD1 ILE 34 -3.311 0.501 -1.437 239 3HD1 ILE 34 3HD1 ILE 34 -2.048 0.222 -0.240 240 H ASP 35 H ASP 35 -1.847 6.706 -0.506 241 HA ASP 35 HA ASP 35 -0.554 7.870 1.874 242 1HB ASP 35 1HB ASP 35 -1.292 9.290 -0.099 243 2HB ASP 35 2HB ASP 35 -2.954 9.035 0.543 244 HA PRO 36 HA PRO 36 -3.485 5.866 4.420 245 1HB PRO 36 1HB PRO 36 -2.765 6.821 6.892 246 2HB PRO 36 2HB PRO 36 -1.790 5.634 5.954 247 1HG PRO 36 1HG PRO 36 -1.458 8.660 6.117 248 2HG PRO 36 2HG PRO 36 -0.168 7.440 6.301 249 1HD PRO 36 1HD PRO 36 -0.614 8.714 3.969 250 2HD PRO 36 2HD PRO 36 -0.120 6.999 3.988 251 H ASP 37 H ASP 37 -3.170 9.350 4.279 252 HA ASP 37 HA ASP 37 -5.798 9.621 5.736 253 1HB ASP 37 1HB ASP 37 -5.368 12.120 5.500 254 2HB ASP 37 2HB ASP 37 -4.575 11.168 6.747 255 H VAL 38 H VAL 38 -4.317 9.820 2.498 256 HA VAL 38 HA VAL 38 -6.901 10.946 1.552 257 HB VAL 38 HB VAL 38 -4.668 10.016 -0.213 258 1HG1 VAL 38 1HG1 VAL 38 -7.019 11.904 -0.568 259 2HG1 VAL 38 2HG1 VAL 38 -5.769 11.559 -1.786 260 3HG1 VAL 38 3HG1 VAL 38 -6.885 10.282 -1.284 261 1HG2 VAL 38 1HG2 VAL 38 -5.239 12.725 1.075 262 2HG2 VAL 38 2HG2 VAL 38 -3.757 11.775 1.240 263 3HG2 VAL 38 3HG2 VAL 38 -4.160 12.497 -0.317 264 H CYS 39 H CYS 39 -5.449 7.670 1.889 265 HA CYS 39 HA CYS 39 -7.536 6.387 0.397 266 1HB CYS 39 1HB CYS 39 -5.515 5.190 0.982 267 2HB CYS 39 2HB CYS 39 -5.878 5.389 2.699 268 H ILE 40 H ILE 40 -9.628 6.408 0.829 269 HA ILE 40 HA ILE 40 -10.645 7.049 3.533 270 HB ILE 40 HB ILE 40 -12.828 7.184 2.372 271 1HG1 ILE 40 1HG1 ILE 40 -11.276 6.852 -0.241 272 2HG1 ILE 40 2HG1 ILE 40 -12.164 5.527 0.524 273 1HG2 ILE 40 1HG2 ILE 40 -11.308 9.136 2.668 274 2HG2 ILE 40 2HG2 ILE 40 -10.626 8.835 1.059 275 3HG2 ILE 40 3HG2 ILE 40 -12.330 9.285 1.237 276 1HD1 ILE 40 1HD1 ILE 40 -14.259 6.794 0.374 277 2HD1 ILE 40 2HD1 ILE 40 -13.400 8.149 -0.400 278 3HD1 ILE 40 3HD1 ILE 40 -13.501 6.581 -1.216 279 H ASP 41 H ASP 41 -9.284 4.537 3.198 280 HA ASP 41 HA ASP 41 -9.453 2.293 3.450 281 1HB ASP 41 1HB ASP 41 -9.988 3.647 5.680 282 2HB ASP 41 2HB ASP 41 -11.528 2.798 5.567 283 H CYS 42 H CYS 42 -10.685 2.685 1.248 284 HA CYS 42 HA CYS 42 -13.461 2.190 1.195 285 1HB CYS 42 1HB CYS 42 -13.394 2.428 -1.044 286 2HB CYS 42 2HB CYS 42 -12.127 3.504 -0.484 287 H GLY 43 H GLY 43 -10.774 -0.045 0.405 288 1HA GLY 43 1HA GLY 43 -10.901 -2.433 0.495 289 2HA GLY 43 2HA GLY 43 -12.654 -2.360 0.491 290 H ALA 44 H ALA 44 -9.770 -2.182 -1.506 291 HA ALA 44 HA ALA 44 -11.138 -3.231 -3.750 292 1HB ALA 44 1HB ALA 44 -10.231 -0.334 -4.105 293 2HB ALA 44 2HB ALA 44 -10.704 -1.430 -5.416 294 3HB ALA 44 3HB ALA 44 -11.895 -0.933 -4.201 295 H CYS 45 H CYS 45 -8.331 -1.128 -3.082 296 HA CYS 45 HA CYS 45 -6.545 -2.265 -4.923 297 1HB CYS 45 1HB CYS 45 -4.812 -1.201 -3.601 298 2HB CYS 45 2HB CYS 45 -6.120 -0.134 -4.071 299 H GLU 46 H GLU 46 -7.052 -3.021 -1.458 300 HA GLU 46 HA GLU 46 -4.984 -4.938 -1.199 301 1HB GLU 46 1HB GLU 46 -5.985 -5.509 0.884 302 2HB GLU 46 2HB GLU 46 -6.172 -3.776 0.640 303 1HG GLU 46 1HG GLU 46 -8.297 -5.923 0.461 304 2HG GLU 46 2HG GLU 46 -8.205 -4.565 1.589 305 H ALA 47 H ALA 47 -8.450 -5.467 -2.069 306 HA ALA 47 HA ALA 47 -8.274 -8.238 -2.352 307 1HB ALA 47 1HB ALA 47 -10.375 -6.962 -2.306 308 2HB ALA 47 2HB ALA 47 -10.008 -6.271 -3.902 309 3HB ALA 47 3HB ALA 47 -10.295 -8.017 -3.732 310 H VAL 48 H VAL 48 -7.302 -5.677 -4.700 311 HA VAL 48 HA VAL 48 -6.924 -7.784 -6.758 312 HB VAL 48 HB VAL 48 -6.455 -6.066 -8.327 313 1HG1 VAL 48 1HG1 VAL 48 -8.795 -6.716 -7.874 314 2HG1 VAL 48 2HG1 VAL 48 -8.938 -5.378 -6.711 315 3HG1 VAL 48 3HG1 VAL 48 -8.639 -5.040 -8.429 316 1HG2 VAL 48 1HG2 VAL 48 -5.301 -4.433 -6.822 317 2HG2 VAL 48 2HG2 VAL 48 -6.567 -3.705 -7.826 318 3HG2 VAL 48 3HG2 VAL 48 -6.889 -4.051 -6.119 319 H CYS 49 H CYS 49 -4.974 -6.866 -4.196 320 HA CYS 49 HA CYS 49 -2.476 -7.175 -5.765 321 1HB CYS 49 1HB CYS 49 -2.766 -5.687 -3.672 322 2HB CYS 49 2HB CYS 49 -2.727 -7.240 -2.811 323 HA PRO 50 HA PRO 50 -3.911 -11.528 -5.283 324 1HB PRO 50 1HB PRO 50 -2.424 -12.758 -7.201 325 2HB PRO 50 2HB PRO 50 -3.729 -11.611 -7.611 326 1HG PRO 50 1HG PRO 50 -0.756 -11.009 -7.383 327 2HG PRO 50 2HG PRO 50 -1.841 -10.643 -8.758 328 1HD PRO 50 1HD PRO 50 -1.299 -8.774 -6.830 329 2HD PRO 50 2HD PRO 50 -2.906 -8.934 -7.595 330 H VAL 51 H VAL 51 -1.463 -10.201 -3.910 331 HA VAL 51 HA VAL 51 0.045 -12.570 -3.003 332 HB VAL 51 HB VAL 51 1.924 -11.452 -3.526 333 1HG1 VAL 51 1HG1 VAL 51 0.183 -9.180 -4.600 334 2HG1 VAL 51 2HG1 VAL 51 1.904 -9.404 -4.922 335 3HG1 VAL 51 3HG1 VAL 51 0.750 -10.594 -5.526 336 1HG2 VAL 51 1HG2 VAL 51 1.780 -10.196 -1.381 337 2HG2 VAL 51 2HG2 VAL 51 2.517 -9.243 -2.670 338 3HG2 VAL 51 3HG2 VAL 51 0.825 -8.940 -2.235 339 H SER 52 H SER 52 -2.017 -9.781 -2.318 340 HA SER 52 HA SER 52 -2.724 -8.752 -0.499 341 1HB SER 52 1HB SER 52 -2.325 -11.459 0.821 342 2HB SER 52 2HB SER 52 -3.435 -10.169 1.325 343 HG SER 52 HG SER 52 -3.936 -10.594 -1.222 344 H ALA 53 H ALA 53 -0.401 -7.849 -0.943 345 HA ALA 53 HA ALA 53 1.398 -7.988 1.404 346 1HB ALA 53 1HB ALA 53 1.388 -6.197 -1.068 347 2HB ALA 53 2HB ALA 53 2.659 -6.257 0.169 348 3HB ALA 53 3HB ALA 53 2.359 -7.664 -0.856 349 H ILE 54 H ILE 54 -1.406 -6.295 0.296 350 HA ILE 54 HA ILE 54 -0.934 -3.847 1.785 351 HB ILE 54 HB ILE 54 -3.428 -4.816 0.355 352 1HG1 ILE 54 1HG1 ILE 54 -0.898 -3.579 -0.690 353 2HG1 ILE 54 2HG1 ILE 54 -1.803 -4.942 -1.322 354 1HG2 ILE 54 1HG2 ILE 54 -2.446 -2.047 1.169 355 2HG2 ILE 54 2HG2 ILE 54 -3.937 -2.375 0.249 356 3HG2 ILE 54 3HG2 ILE 54 -3.771 -3.010 1.878 357 1HD1 ILE 54 1HD1 ILE 54 -3.663 -3.290 -1.936 358 2HD1 ILE 54 2HD1 ILE 54 -2.487 -2.001 -1.616 359 3HD1 ILE 54 3HD1 ILE 54 -2.170 -3.208 -2.873 360 H TYR 55 H TYR 55 -1.414 -3.694 3.968 361 HA TYR 55 HA TYR 55 -3.663 -5.297 5.090 362 1HB TYR 55 1HB TYR 55 -0.845 -4.883 6.133 363 2HB TYR 55 2HB TYR 55 -2.148 -5.472 7.123 364 HD1 TYR 55 HD1 TYR 55 -3.421 -7.633 6.084 365 HD2 TYR 55 HD2 TYR 55 0.591 -6.412 5.066 366 HE1 TYR 55 HE1 TYR 55 -2.942 -9.905 5.213 367 HE2 TYR 55 HE2 TYR 55 1.056 -8.679 4.199 368 HH TYR 55 HH TYR 55 -0.408 -10.514 3.186 369 H HIS 56 H HIS 56 -4.239 -4.308 7.279 370 HA HIS 56 HA HIS 56 -4.324 -1.403 7.088 371 1HB HIS 56 1HB HIS 56 -5.864 -3.184 8.483 372 2HB HIS 56 2HB HIS 56 -4.727 -2.753 9.748 373 HD1 HIS 56 HD1 HIS 56 -5.072 -0.212 10.814 374 HD2 HIS 56 HD2 HIS 56 -7.468 -1.243 7.519 375 HE1 HIS 56 HE1 HIS 56 -6.710 1.652 10.519 376 H GLU 57 H GLU 57 -3.098 0.112 8.149 377 HA GLU 57 HA GLU 57 -0.458 -0.417 8.636 378 1HB GLU 57 1HB GLU 57 -0.554 1.817 9.836 379 2HB GLU 57 2HB GLU 57 -1.216 1.795 8.199 380 1HG GLU 57 1HG GLU 57 -3.398 1.188 9.798 381 2HG GLU 57 2HG GLU 57 -2.458 2.277 10.795 382 H ASP 58 H ASP 58 -3.054 -0.403 11.040 383 HA ASP 58 HA ASP 58 -1.554 -0.984 13.289 384 1HB ASP 58 1HB ASP 58 -4.293 -2.029 12.503 385 2HB ASP 58 2HB ASP 58 -3.638 -1.926 14.136 386 H PHE 59 H PHE 59 -2.444 -3.038 10.624 387 HA PHE 59 HA PHE 59 -2.281 -5.556 12.149 388 1HB PHE 59 1HB PHE 59 -4.021 -5.066 10.397 389 2HB PHE 59 2HB PHE 59 -2.743 -5.106 9.198 390 HD1 PHE 59 HD1 PHE 59 -1.539 -7.284 8.696 391 HD2 PHE 59 HD2 PHE 59 -4.896 -7.080 11.404 392 HE1 PHE 59 HE1 PHE 59 -1.863 -9.725 8.483 393 HE2 PHE 59 HE2 PHE 59 -5.224 -9.524 11.170 394 HZ PHE 59 HZ PHE 59 -3.695 -10.855 9.729 395 H VAL 60 H VAL 60 -0.494 -3.752 9.656 396 HA VAL 60 HA VAL 60 1.376 -5.633 8.872 397 HB VAL 60 HB VAL 60 1.631 -2.647 9.281 398 1HG1 VAL 60 1HG1 VAL 60 3.602 -4.643 8.088 399 2HG1 VAL 60 2HG1 VAL 60 3.657 -2.910 7.724 400 3HG1 VAL 60 3HG1 VAL 60 3.905 -3.460 9.382 401 1HG2 VAL 60 1HG2 VAL 60 1.241 -4.484 6.873 402 2HG2 VAL 60 2HG2 VAL 60 0.046 -3.360 7.553 403 3HG2 VAL 60 3HG2 VAL 60 1.481 -2.740 6.744 404 HA PRO 61 HA PRO 61 3.269 -6.699 12.820 405 1HB PRO 61 1HB PRO 61 5.534 -7.561 11.006 406 2HB PRO 61 2HB PRO 61 4.836 -8.434 12.396 407 1HG PRO 61 1HG PRO 61 4.142 -9.133 9.867 408 2HG PRO 61 2HG PRO 61 2.878 -9.003 11.130 409 1HD PRO 61 1HD PRO 61 3.584 -6.987 8.990 410 2HD PRO 61 2HD PRO 61 1.982 -7.557 9.566 411 H GLU 62 H GLU 62 4.809 -5.755 14.256 412 HA GLU 62 HA GLU 62 5.874 -3.322 14.139 413 1HB GLU 62 1HB GLU 62 6.326 -5.918 15.529 414 2HB GLU 62 2HB GLU 62 7.403 -4.595 15.829 415 1HG GLU 62 1HG GLU 62 5.455 -4.700 17.435 416 2HG GLU 62 2HG GLU 62 5.569 -3.158 16.576 417 H GLU 63 H GLU 63 7.669 -6.269 13.101 418 HA GLU 63 HA GLU 63 10.127 -5.132 12.435 419 1HB GLU 63 1HB GLU 63 8.576 -7.147 10.770 420 2HB GLU 63 2HB GLU 63 10.318 -6.877 10.781 421 1HG GLU 63 1HG GLU 63 10.266 -8.678 12.163 422 2HG GLU 63 2HG GLU 63 10.021 -7.451 13.407 423 H TRP 64 H TRP 64 7.080 -5.068 10.649 424 HA TRP 64 HA TRP 64 8.198 -3.402 8.470 425 1HB TRP 64 1HB TRP 64 5.786 -5.198 8.719 426 2HB TRP 64 2HB TRP 64 6.049 -4.143 7.338 427 HD1 TRP 64 HD1 TRP 64 9.396 -5.146 7.652 428 HE1 TRP 64 HE1 TRP 64 9.950 -7.187 6.172 429 HE3 TRP 64 HE3 TRP 64 4.652 -6.942 6.813 430 HZ2 TRP 64 HZ2 TRP 64 8.605 -9.353 4.989 431 HZ3 TRP 64 HZ3 TRP 64 4.337 -8.942 5.387 432 HH2 TRP 64 HH2 TRP 64 6.333 -10.066 4.356 433 H LYS 65 H LYS 65 6.593 -2.794 11.448 434 HA LYS 65 HA LYS 65 4.768 -0.786 10.639 435 1HB LYS 65 1HB LYS 65 6.435 -1.378 13.094 436 2HB LYS 65 2HB LYS 65 5.492 0.036 12.981 437 1HG LYS 65 1HG LYS 65 4.312 -2.748 12.746 438 2HG LYS 65 2HG LYS 65 4.340 -1.740 14.214 439 1HD LYS 65 1HD LYS 65 3.086 -0.013 12.683 440 2HD LYS 65 2HD LYS 65 2.715 -1.455 11.712 441 1HE LYS 65 1HE LYS 65 2.008 -0.977 14.657 442 2HE LYS 65 2HE LYS 65 0.902 -0.975 13.281 443 1HZ LYS 65 1HZ LYS 65 1.852 -3.375 13.022 444 2HZ LYS 65 2HZ LYS 65 2.164 -3.217 14.629 445 3HZ LYS 65 3HZ LYS 65 0.610 -3.082 14.036 446 H SER 66 H SER 66 8.247 -1.046 10.529 447 HA SER 66 HA SER 66 9.146 1.612 10.373 448 1HB SER 66 1HB SER 66 10.753 0.453 8.687 449 2HB SER 66 2HB SER 66 10.693 -0.205 10.335 450 HG SER 66 HG SER 66 10.075 -2.047 9.458 451 H TYR 67 H TYR 67 7.530 -0.497 7.915 452 HA TYR 67 HA TYR 67 7.607 1.478 5.834 453 1HB TYR 67 1HB TYR 67 5.694 -0.849 6.188 454 2HB TYR 67 2HB TYR 67 5.757 0.214 4.809 455 HD1 TYR 67 HD1 TYR 67 7.554 0.233 3.220 456 HD2 TYR 67 HD2 TYR 67 7.524 -2.587 6.448 457 HE1 TYR 67 HE1 TYR 67 9.243 -1.150 2.022 458 HE2 TYR 67 HE2 TYR 67 9.221 -3.968 5.267 459 HH TYR 67 HH TYR 67 10.535 -4.211 3.349 460 H ILE 68 H ILE 68 5.297 0.999 8.610 461 HA ILE 68 HA ILE 68 3.236 2.618 7.439 462 HB ILE 68 HB ILE 68 3.888 1.474 10.160 463 1HG1 ILE 68 1HG1 ILE 68 1.827 0.331 9.880 464 2HG1 ILE 68 2HG1 ILE 68 1.421 1.271 8.434 465 1HG2 ILE 68 1HG2 ILE 68 1.708 3.478 9.605 466 2HG2 ILE 68 2HG2 ILE 68 1.822 2.432 11.043 467 3HG2 ILE 68 3HG2 ILE 68 3.076 3.639 10.742 468 1HD1 ILE 68 1HD1 ILE 68 3.661 -0.766 8.662 469 2HD1 ILE 68 2HD1 ILE 68 2.080 -0.972 7.875 470 3HD1 ILE 68 3HD1 ILE 68 3.245 0.133 7.188 471 H GLN 69 H GLN 69 6.107 3.224 9.439 472 HA GLN 69 HA GLN 69 5.621 6.042 9.763 473 1HB GLN 69 1HB GLN 69 7.238 4.612 11.033 474 2HB GLN 69 2HB GLN 69 8.318 4.616 9.638 475 1HG GLN 69 1HG GLN 69 7.322 7.182 10.956 476 2HG GLN 69 2HG GLN 69 8.720 6.291 11.558 477 1HE2 GLN 69 2HE2 GLN 69 7.892 8.828 9.520 478 2HE2 GLN 69 1HE2 GLN 69 9.365 8.835 8.574 479 H LYS 70 H LYS 70 7.388 4.129 7.271 480 HA LYS 70 HA LYS 70 8.316 6.351 5.837 481 1HB LYS 70 1HB LYS 70 9.179 3.963 5.630 482 2HB LYS 70 2HB LYS 70 7.675 3.566 4.833 483 1HG LYS 70 1HG LYS 70 9.227 3.711 3.148 484 2HG LYS 70 2HG LYS 70 8.213 5.120 2.989 485 1HD LYS 70 1HD LYS 70 11.019 5.044 4.195 486 2HD LYS 70 2HD LYS 70 10.657 5.451 2.525 487 1HE LYS 70 1HE LYS 70 10.100 7.129 4.995 488 2HE LYS 70 2HE LYS 70 11.125 7.480 3.630 489 1HZ LYS 70 1HZ LYS 70 9.147 7.680 2.233 490 2HZ LYS 70 2HZ LYS 70 8.170 7.435 3.550 491 3HZ LYS 70 3HZ LYS 70 9.186 8.715 3.524 492 H ASN 71 H ASN 71 5.498 4.311 5.241 493 HA ASN 71 HA ASN 71 4.108 5.321 3.204 494 1HB ASN 71 1HB ASN 71 3.580 3.430 4.797 495 2HB ASN 71 2HB ASN 71 3.136 4.626 6.011 496 1HD2 ASN 71 2HD2 ASN 71 2.656 3.648 2.851 497 2HD2 ASN 71 1HD2 ASN 71 0.936 4.165 2.618 498 H ARG 72 H ARG 72 4.297 6.659 6.532 499 HA ARG 72 HA ARG 72 2.279 8.669 6.055 500 1HB ARG 72 1HB ARG 72 3.671 7.470 8.264 501 2HB ARG 72 2HB ARG 72 4.271 9.072 8.204 502 1HG ARG 72 1HG ARG 72 2.436 9.621 9.423 503 2HG ARG 72 2HG ARG 72 1.467 9.429 7.966 504 1HD ARG 72 1HD ARG 72 2.045 7.369 10.148 505 2HD ARG 72 2HD ARG 72 0.500 8.140 9.741 506 HE ARG 72 HE ARG 72 1.835 6.450 7.678 507 1HH1 ARG 72 1HH1 ARG 72 -0.637 6.474 10.291 508 2HH1 ARG 72 2HH1 ARG 72 -1.539 5.181 9.488 509 1HH2 ARG 72 1HH2 ARG 72 0.357 4.819 6.685 510 2HH2 ARG 72 2HH2 ARG 72 -0.959 4.267 7.730 511 H ASP 73 H ASP 73 5.822 8.621 6.560 512 HA ASP 73 HA ASP 73 6.324 11.302 6.235 513 1HB ASP 73 1HB ASP 73 7.828 9.717 7.267 514 2HB ASP 73 2HB ASP 73 7.879 8.669 5.861 515 H PHE 74 H PHE 74 6.120 8.802 3.802 516 HA PHE 74 HA PHE 74 7.325 9.932 1.549 517 1HB PHE 74 1HB PHE 74 5.142 8.038 1.965 518 2HB PHE 74 2HB PHE 74 5.014 8.995 0.500 519 HD1 PHE 74 HD1 PHE 74 6.979 9.251 -1.070 520 HD2 PHE 74 HD2 PHE 74 6.473 6.015 1.714 521 HE1 PHE 74 HE1 PHE 74 8.666 7.914 -2.296 522 HE2 PHE 74 HE2 PHE 74 8.360 4.794 0.615 523 HZ PHE 74 HZ PHE 74 9.543 5.812 -1.306 524 H PHE 75 H PHE 75 4.107 10.705 2.853 525 HA PHE 75 HA PHE 75 3.812 12.869 0.801 526 1HB PHE 75 1HB PHE 75 1.657 11.579 2.383 527 2HB PHE 75 2HB PHE 75 1.507 12.478 0.882 528 HD1 PHE 75 HD1 PHE 75 2.968 11.398 -1.151 529 HD2 PHE 75 HD2 PHE 75 1.551 9.244 2.308 530 HE1 PHE 75 HE1 PHE 75 3.388 9.248 -2.309 531 HE2 PHE 75 HE2 PHE 75 1.919 7.105 1.134 532 HZ PHE 75 HZ PHE 75 2.860 7.104 -1.174 533 H LYS 76 H LYS 76 3.784 12.140 4.282 534 HA LYS 76 HA LYS 76 2.839 14.807 5.066 535 1HB LYS 76 1HB LYS 76 3.820 12.289 6.489 536 2HB LYS 76 2HB LYS 76 3.725 13.854 7.251 537 1HG LYS 76 1HG LYS 76 1.819 12.363 7.699 538 2HG LYS 76 2HG LYS 76 1.302 13.911 7.026 539 1HD LYS 76 1HD LYS 76 1.622 11.482 5.202 540 2HD LYS 76 2HD LYS 76 0.235 11.616 6.277 541 1HE LYS 76 1HE LYS 76 -0.356 13.808 5.310 542 2HE LYS 76 2HE LYS 76 0.896 13.637 4.074 543 1HZ LYS 76 1HZ LYS 76 -1.132 11.565 4.503 544 2HZ LYS 76 2HZ LYS 76 -1.605 12.837 3.765 545 3HZ LYS 76 3HZ LYS 76 -0.433 11.897 3.057 546 H LYS 77 H LYS 77 4.257 16.295 5.820 547 HA LYS 77 HA LYS 77 7.071 15.831 6.324 548 1HB LYS 77 1HB LYS 77 5.901 17.324 3.989 549 2HB LYS 77 2HB LYS 77 7.425 17.899 4.696 550 1HG LYS 77 1HG LYS 77 7.002 15.119 3.485 551 2HG LYS 77 2HG LYS 77 7.689 16.488 2.645 552 1HD LYS 77 1HD LYS 77 9.719 16.184 3.489 553 2HD LYS 77 2HD LYS 77 9.133 16.204 5.145 554 1HE LYS 77 1HE LYS 77 9.076 13.710 3.334 555 2HE LYS 77 2HE LYS 77 10.351 14.084 4.507 556 1HZ LYS 77 1HZ LYS 77 8.520 14.100 6.191 557 2HZ LYS 77 2HZ LYS 77 7.561 13.415 5.022 558 3HZ LYS 77 3HZ LYS 77 8.922 12.669 5.525 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -6.072 2.314 8.222 2 2H ALA 1 2H ALA 1 -6.058 3.820 8.412 3 3H ALA 1 3H ALA 1 -7.353 3.113 8.055 4 HA ALA 1 HA ALA 1 -6.898 3.162 5.710 5 1HB ALA 1 1HB ALA 1 -5.830 5.252 6.542 6 2HB ALA 1 2HB ALA 1 -4.268 4.422 6.491 7 3HB ALA 1 3HB ALA 1 -5.225 4.632 4.999 8 H TYR 2 H TYR 2 -5.329 2.152 4.009 9 HA TYR 2 HA TYR 2 -4.162 -0.351 5.158 10 1HB TYR 2 1HB TYR 2 -5.216 0.268 2.386 11 2HB TYR 2 2HB TYR 2 -4.360 -1.197 2.841 12 HD1 TYR 2 HD1 TYR 2 -7.384 0.817 3.784 13 HD2 TYR 2 HD2 TYR 2 -5.601 -3.105 3.518 14 HE1 TYR 2 HE1 TYR 2 -9.562 -0.221 4.304 15 HE2 TYR 2 HE2 TYR 2 -7.831 -4.126 3.872 16 HH TYR 2 HH TYR 2 -10.710 -2.145 3.624 17 H VAL 3 H VAL 3 -2.107 -0.945 4.595 18 HA VAL 3 HA VAL 3 -0.480 0.956 2.961 19 HB VAL 3 HB VAL 3 0.065 -0.045 5.776 20 1HG1 VAL 3 1HG1 VAL 3 2.020 0.890 3.671 21 2HG1 VAL 3 2HG1 VAL 3 2.347 1.132 5.384 22 3HG1 VAL 3 3HG1 VAL 3 2.143 -0.509 4.760 23 1HG2 VAL 3 1HG2 VAL 3 0.114 2.702 4.431 24 2HG2 VAL 3 2HG2 VAL 3 -1.136 2.098 5.539 25 3HG2 VAL 3 3HG2 VAL 3 0.501 2.391 6.131 26 H ILE 4 H ILE 4 1.090 0.153 1.756 27 HA ILE 4 HA ILE 4 1.174 -2.690 1.061 28 HB ILE 4 HB ILE 4 2.540 -0.155 0.053 29 1HG1 ILE 4 1HG1 ILE 4 0.745 -2.140 -1.377 30 2HG1 ILE 4 2HG1 ILE 4 0.080 -0.754 -0.484 31 1HG2 ILE 4 1HG2 ILE 4 2.953 -3.036 -0.823 32 2HG2 ILE 4 2HG2 ILE 4 3.486 -1.637 -1.770 33 3HG2 ILE 4 3HG2 ILE 4 4.202 -1.940 -0.197 34 1HD1 ILE 4 1HD1 ILE 4 1.363 0.772 -1.954 35 2HD1 ILE 4 2HD1 ILE 4 1.885 -0.639 -2.915 36 3HD1 ILE 4 3HD1 ILE 4 0.172 -0.218 -2.819 37 H THR 5 H THR 5 2.849 -4.089 1.562 38 HA THR 5 HA THR 5 5.120 -3.052 3.201 39 HB THR 5 HB THR 5 4.969 -5.182 4.498 40 HG1 THR 5 HG1 THR 5 2.457 -5.469 3.176 41 1HG2 THR 5 1HG2 THR 5 3.973 -3.057 5.356 42 2HG2 THR 5 2HG2 THR 5 2.411 -3.524 4.644 43 3HG2 THR 5 3HG2 THR 5 3.144 -4.524 5.915 44 H GLU 6 H GLU 6 6.811 -4.680 3.372 45 HA GLU 6 HA GLU 6 8.471 -5.383 1.617 46 1HB GLU 6 1HB GLU 6 8.132 -6.202 4.034 47 2HB GLU 6 2HB GLU 6 7.599 -7.694 3.278 48 1HG GLU 6 1HG GLU 6 9.697 -8.228 3.065 49 2HG GLU 6 2HG GLU 6 10.009 -6.892 1.988 50 HA PRO 7 HA PRO 7 6.776 -9.232 -0.370 51 1HB PRO 7 1HB PRO 7 3.795 -9.247 -0.032 52 2HB PRO 7 2HB PRO 7 4.939 -10.612 0.064 53 1HG PRO 7 1HG PRO 7 3.881 -9.565 2.341 54 2HG PRO 7 2HG PRO 7 5.633 -9.944 2.279 55 1HD PRO 7 1HD PRO 7 4.302 -7.288 1.703 56 2HD PRO 7 2HD PRO 7 5.547 -7.602 2.917 57 H CYS 8 H CYS 8 5.199 -6.156 -0.766 58 HA CYS 8 HA CYS 8 4.287 -6.601 -3.488 59 1HB CYS 8 1HB CYS 8 3.353 -4.815 -2.196 60 2HB CYS 8 2HB CYS 8 4.965 -4.171 -1.864 61 H ILE 9 H ILE 9 7.436 -5.823 -1.981 62 HA ILE 9 HA ILE 9 8.587 -4.424 -4.149 63 HB ILE 9 HB ILE 9 9.750 -6.038 -1.857 64 1HG1 ILE 9 1HG1 ILE 9 10.862 -3.552 -1.747 65 2HG1 ILE 9 2HG1 ILE 9 9.357 -3.137 -2.560 66 1HG2 ILE 9 1HG2 ILE 9 11.378 -4.709 -4.059 67 2HG2 ILE 9 2HG2 ILE 9 12.013 -5.339 -2.526 68 3HG2 ILE 9 3HG2 ILE 9 11.327 -6.452 -3.701 69 1HD1 ILE 9 1HD1 ILE 9 9.683 -4.624 0.047 70 2HD1 ILE 9 2HD1 ILE 9 9.209 -2.929 -0.112 71 3HD1 ILE 9 3HD1 ILE 9 8.103 -4.191 -0.688 72 H GLY 10 H GLY 10 9.471 -4.938 -6.082 73 1HA GLY 10 1HA GLY 10 10.288 -7.163 -7.281 74 2HA GLY 10 2HA GLY 10 8.580 -7.596 -7.077 75 H THR 11 H THR 11 10.235 -4.528 -7.929 76 HA THR 11 HA THR 11 9.980 -3.053 -9.540 77 HB THR 11 HB THR 11 10.168 -5.578 -11.066 78 HG1 THR 11 HG1 THR 11 11.872 -4.183 -9.363 79 1HG2 THR 11 1HG2 THR 11 11.197 -2.749 -11.623 80 2HG2 THR 11 2HG2 THR 11 11.613 -4.178 -12.593 81 3HG2 THR 11 3HG2 THR 11 9.940 -3.587 -12.571 82 H LYS 12 H LYS 12 8.055 -2.220 -9.066 83 HA LYS 12 HA LYS 12 6.434 -0.926 -9.789 84 1HB LYS 12 1HB LYS 12 6.666 -2.301 -12.478 85 2HB LYS 12 2HB LYS 12 5.755 -0.836 -12.142 86 1HG LYS 12 1HG LYS 12 8.635 -0.767 -11.271 87 2HG LYS 12 2HG LYS 12 8.353 -0.887 -13.009 88 1HD LYS 12 1HD LYS 12 6.910 1.105 -12.946 89 2HD LYS 12 2HD LYS 12 7.083 1.210 -11.198 90 1HE LYS 12 1HE LYS 12 9.740 1.110 -12.467 91 2HE LYS 12 2HE LYS 12 8.744 2.352 -13.238 92 1HZ LYS 12 1HZ LYS 12 8.302 3.236 -11.018 93 2HZ LYS 12 2HZ LYS 12 9.358 2.167 -10.358 94 3HZ LYS 12 3HZ LYS 12 9.894 3.299 -11.411 95 H CYS 13 H CYS 13 5.662 -4.146 -11.205 96 HA CYS 13 HA CYS 13 3.718 -5.344 -11.267 97 1HB CYS 13 1HB CYS 13 3.811 -5.816 -9.039 98 2HB CYS 13 2HB CYS 13 3.543 -4.158 -8.572 99 H ALA 14 H ALA 14 2.590 -2.295 -9.828 100 HA ALA 14 HA ALA 14 1.131 -0.708 -10.441 101 1HB ALA 14 1HB ALA 14 2.748 -0.581 -12.345 102 2HB ALA 14 2HB ALA 14 1.636 -1.580 -13.309 103 3HB ALA 14 3HB ALA 14 1.124 0.015 -12.733 104 H SER 15 H SER 15 -0.027 -3.277 -9.793 105 HA SER 15 HA SER 15 -2.536 -3.304 -11.384 106 1HB SER 15 1HB SER 15 -1.818 -4.980 -8.962 107 2HB SER 15 2HB SER 15 -3.193 -5.186 -10.050 108 HG SER 15 HG SER 15 -0.470 -5.250 -10.891 109 H CYS 16 H CYS 16 -1.506 -2.530 -8.010 110 HA CYS 16 HA CYS 16 -4.136 -1.482 -7.293 111 1HB CYS 16 1HB CYS 16 -3.002 -0.693 -5.266 112 2HB CYS 16 2HB CYS 16 -2.967 -2.453 -5.502 113 H VAL 17 H VAL 17 -4.122 -0.231 -9.343 114 HA VAL 17 HA VAL 17 -3.004 2.511 -8.908 115 HB VAL 17 HB VAL 17 -3.098 1.042 -11.512 116 1HG1 VAL 17 1HG1 VAL 17 -2.069 3.835 -10.800 117 2HG1 VAL 17 2HG1 VAL 17 -1.871 3.037 -12.371 118 3HG1 VAL 17 3HG1 VAL 17 -3.478 3.506 -11.823 119 1HG2 VAL 17 1HG2 VAL 17 -0.795 1.905 -9.744 120 2HG2 VAL 17 2HG2 VAL 17 -1.272 0.237 -10.096 121 3HG2 VAL 17 3HG2 VAL 17 -0.621 1.256 -11.387 122 H GLU 18 H GLU 18 -4.991 1.659 -11.652 123 HA GLU 18 HA GLU 18 -6.691 3.843 -11.186 124 1HB GLU 18 1HB GLU 18 -7.748 3.104 -13.295 125 2HB GLU 18 2HB GLU 18 -5.988 3.168 -13.373 126 1HG GLU 18 1HG GLU 18 -5.859 0.693 -13.152 127 2HG GLU 18 2HG GLU 18 -7.619 0.628 -12.959 128 H VAL 19 H VAL 19 -6.982 1.766 -9.080 129 HA VAL 19 HA VAL 19 -9.908 1.200 -9.263 130 HB VAL 19 HB VAL 19 -9.505 -0.606 -7.690 131 1HG1 VAL 19 1HG1 VAL 19 -9.516 -0.992 -10.144 132 2HG1 VAL 19 2HG1 VAL 19 -7.750 -0.823 -10.179 133 3HG1 VAL 19 3HG1 VAL 19 -8.499 -2.159 -9.291 134 1HG2 VAL 19 1HG2 VAL 19 -6.949 0.565 -7.203 135 2HG2 VAL 19 2HG2 VAL 19 -7.602 -0.943 -6.557 136 3HG2 VAL 19 3HG2 VAL 19 -6.630 -0.957 -8.037 137 H CYS 20 H CYS 20 -7.382 2.942 -7.458 138 HA CYS 20 HA CYS 20 -8.859 2.883 -5.038 139 1HB CYS 20 1HB CYS 20 -6.461 3.190 -5.029 140 2HB CYS 20 2HB CYS 20 -6.743 4.723 -5.870 141 HA PRO 21 HA PRO 21 -12.084 5.851 -6.142 142 1HB PRO 21 1HB PRO 21 -11.920 6.304 -3.148 143 2HB PRO 21 2HB PRO 21 -13.377 6.136 -4.168 144 1HG PRO 21 1HG PRO 21 -12.472 4.036 -2.689 145 2HG PRO 21 2HG PRO 21 -13.018 3.777 -4.374 146 1HD PRO 21 1HD PRO 21 -10.150 4.021 -3.388 147 2HD PRO 21 2HD PRO 21 -10.892 2.898 -4.571 148 H VAL 22 H VAL 22 -9.364 6.737 -4.006 149 HA VAL 22 HA VAL 22 -9.687 9.621 -4.745 150 HB VAL 22 HB VAL 22 -8.672 10.093 -2.530 151 1HG1 VAL 22 1HG1 VAL 22 -11.107 10.206 -2.881 152 2HG1 VAL 22 2HG1 VAL 22 -11.265 8.504 -2.400 153 3HG1 VAL 22 3HG1 VAL 22 -10.694 9.708 -1.231 154 1HG2 VAL 22 1HG2 VAL 22 -7.571 7.878 -2.143 155 2HG2 VAL 22 2HG2 VAL 22 -8.606 8.385 -0.800 156 3HG2 VAL 22 3HG2 VAL 22 -9.172 7.139 -1.917 157 H ASP 23 H ASP 23 -8.045 7.281 -5.977 158 HA ASP 23 HA ASP 23 -5.959 6.984 -6.824 159 1HB ASP 23 1HB ASP 23 -7.132 8.691 -8.203 160 2HB ASP 23 2HB ASP 23 -6.339 9.973 -7.265 161 H CYS 24 H CYS 24 -5.416 6.847 -4.258 162 HA CYS 24 HA CYS 24 -3.179 8.752 -3.666 163 1HB CYS 24 1HB CYS 24 -3.439 8.315 -1.402 164 2HB CYS 24 2HB CYS 24 -5.061 8.691 -2.019 165 HG CYS 24 HG CYS 24 -4.588 6.680 -0.073 166 H ILE 25 H ILE 25 -3.000 6.446 -5.464 167 HA ILE 25 HA ILE 25 -1.033 4.733 -4.034 168 HB ILE 25 HB ILE 25 -1.415 3.336 -6.257 169 1HG1 ILE 25 1HG1 ILE 25 -3.774 3.132 -6.801 170 2HG1 ILE 25 2HG1 ILE 25 -4.192 4.544 -5.841 171 1HG2 ILE 25 1HG2 ILE 25 -3.244 3.335 -3.836 172 2HG2 ILE 25 2HG2 ILE 25 -3.036 1.967 -4.943 173 3HG2 ILE 25 3HG2 ILE 25 -1.663 2.520 -3.982 174 1HD1 ILE 25 1HD1 ILE 25 -2.308 4.635 -8.247 175 2HD1 ILE 25 2HD1 ILE 25 -4.048 4.983 -8.319 176 3HD1 ILE 25 3HD1 ILE 25 -2.991 6.025 -7.382 177 H HIS 26 H HIS 26 1.076 5.003 -4.483 178 HA HIS 26 HA HIS 26 1.912 6.622 -6.826 179 1HB HIS 26 1HB HIS 26 2.725 6.720 -3.879 180 2HB HIS 26 2HB HIS 26 3.336 7.741 -5.172 181 HD1 HIS 26 HD1 HIS 26 1.116 9.170 -6.479 182 HD2 HIS 26 HD2 HIS 26 0.607 7.621 -2.612 183 HE1 HIS 26 HE1 HIS 26 -0.954 10.299 -5.511 184 H GLU 27 H GLU 27 4.382 6.287 -7.086 185 HA GLU 27 HA GLU 27 5.243 3.587 -6.234 186 1HB GLU 27 1HB GLU 27 6.210 5.474 -8.396 187 2HB GLU 27 2HB GLU 27 7.172 4.086 -7.852 188 1HG GLU 27 1HG GLU 27 5.398 2.528 -8.326 189 2HG GLU 27 2HG GLU 27 4.310 3.876 -8.675 190 H GLY 28 H GLY 28 7.167 3.181 -5.445 191 1HA GLY 28 1HA GLY 28 9.004 5.281 -4.435 192 2HA GLY 28 2HA GLY 28 8.519 3.938 -3.376 193 H GLU 29 H GLU 29 9.833 4.768 -6.452 194 HA GLU 29 HA GLU 29 10.937 3.927 -8.146 195 1HB GLU 29 1HB GLU 29 12.388 2.816 -5.718 196 2HB GLU 29 2HB GLU 29 13.054 2.828 -7.358 197 1HG GLU 29 1HG GLU 29 13.856 4.772 -6.113 198 2HG GLU 29 2HG GLU 29 12.835 5.294 -7.456 199 H ASP 30 H ASP 30 10.679 1.225 -5.972 200 HA ASP 30 HA ASP 30 10.488 -0.680 -8.293 201 1HB ASP 30 1HB ASP 30 12.414 -1.013 -6.761 202 2HB ASP 30 2HB ASP 30 11.278 -1.322 -5.431 203 H GLN 31 H GLN 31 8.511 0.639 -5.639 204 HA GLN 31 HA GLN 31 6.567 -1.576 -6.006 205 1HB GLN 31 1HB GLN 31 6.341 -1.597 -3.525 206 2HB GLN 31 2HB GLN 31 7.859 -2.276 -4.099 207 1HG GLN 31 1HG GLN 31 9.169 -0.551 -3.285 208 2HG GLN 31 2HG GLN 31 7.905 0.662 -3.444 209 1HE2 GLN 31 2HE2 GLN 31 5.852 -0.113 -2.086 210 2HE2 GLN 31 1HE2 GLN 31 6.210 -0.371 -0.378 211 H TYR 32 H TYR 32 4.482 -0.933 -5.049 212 HA TYR 32 HA TYR 32 4.024 1.926 -5.487 213 1HB TYR 32 1HB TYR 32 2.240 -0.454 -5.315 214 2HB TYR 32 2HB TYR 32 1.580 1.101 -4.837 215 HD1 TYR 32 HD1 TYR 32 3.639 -0.347 -7.629 216 HD2 TYR 32 HD2 TYR 32 0.740 2.584 -6.419 217 HE1 TYR 32 HE1 TYR 32 3.719 0.663 -9.890 218 HE2 TYR 32 HE2 TYR 32 0.823 3.602 -8.672 219 HH TYR 32 HH TYR 32 3.333 2.792 -10.928 220 H TYR 33 H TYR 33 2.709 3.126 -3.938 221 HA TYR 33 HA TYR 33 3.052 2.508 -1.061 222 1HB TYR 33 1HB TYR 33 4.281 4.723 -2.722 223 2HB TYR 33 2HB TYR 33 3.634 5.144 -1.155 224 HD1 TYR 33 HD1 TYR 33 4.590 4.246 0.903 225 HD2 TYR 33 HD2 TYR 33 6.258 3.221 -2.907 226 HE1 TYR 33 HE1 TYR 33 6.446 3.026 2.050 227 HE2 TYR 33 HE2 TYR 33 8.247 2.252 -1.767 228 HH TYR 33 HH TYR 33 8.736 1.039 0.256 229 H ILE 34 H ILE 34 1.073 2.850 -0.159 230 HA ILE 34 HA ILE 34 -0.981 4.361 -1.597 231 HB ILE 34 HB ILE 34 -0.965 2.363 0.681 232 1HG1 ILE 34 1HG1 ILE 34 -2.712 2.411 -1.823 233 2HG1 ILE 34 2HG1 ILE 34 -1.140 1.622 -1.791 234 1HG2 ILE 34 1HG2 ILE 34 -3.204 4.274 -0.053 235 2HG2 ILE 34 2HG2 ILE 34 -3.447 2.812 0.924 236 3HG2 ILE 34 3HG2 ILE 34 -2.414 4.085 1.527 237 1HD1 ILE 34 1HD1 ILE 34 -1.944 0.196 0.117 238 2HD1 ILE 34 2HD1 ILE 34 -3.562 0.886 -0.102 239 3HD1 ILE 34 3HD1 ILE 34 -2.813 -0.024 -1.416 240 H ASP 35 H ASP 35 -1.526 6.497 -0.724 241 HA ASP 35 HA ASP 35 0.007 7.350 1.643 242 1HB ASP 35 1HB ASP 35 -0.757 9.057 -0.127 243 2HB ASP 35 2HB ASP 35 -2.360 8.875 0.597 244 HA PRO 36 HA PRO 36 -3.332 5.264 3.966 245 1HB PRO 36 1HB PRO 36 -2.388 5.611 6.487 246 2HB PRO 36 2HB PRO 36 -1.690 4.408 5.365 247 1HG PRO 36 1HG PRO 36 -0.694 7.224 5.940 248 2HG PRO 36 2HG PRO 36 0.264 5.709 5.949 249 1HD PRO 36 1HD PRO 36 0.202 7.337 3.802 250 2HD PRO 36 2HD PRO 36 0.131 5.561 3.593 251 H ASP 37 H ASP 37 -2.072 8.560 4.359 252 HA ASP 37 HA ASP 37 -4.226 9.359 6.180 253 1HB ASP 37 1HB ASP 37 -2.109 11.038 4.835 254 2HB ASP 37 2HB ASP 37 -3.150 11.497 6.192 255 H VAL 38 H VAL 38 -3.614 9.307 2.682 256 HA VAL 38 HA VAL 38 -6.097 10.890 2.258 257 HB VAL 38 HB VAL 38 -4.238 9.735 0.174 258 1HG1 VAL 38 1HG1 VAL 38 -6.530 11.739 -0.008 259 2HG1 VAL 38 2HG1 VAL 38 -5.435 11.287 -1.331 260 3HG1 VAL 38 3HG1 VAL 38 -6.545 10.089 -0.666 261 1HG2 VAL 38 1HG2 VAL 38 -4.419 12.444 1.544 262 2HG2 VAL 38 2HG2 VAL 38 -2.993 11.420 1.311 263 3HG2 VAL 38 3HG2 VAL 38 -3.709 12.256 -0.070 264 H CYS 39 H CYS 39 -5.000 7.462 2.080 265 HA CYS 39 HA CYS 39 -7.297 6.414 0.793 266 1HB CYS 39 1HB CYS 39 -5.351 5.030 1.195 267 2HB CYS 39 2HB CYS 39 -5.490 5.327 2.919 268 H ILE 40 H ILE 40 -9.326 5.884 1.484 269 HA ILE 40 HA ILE 40 -10.201 6.942 4.139 270 HB ILE 40 HB ILE 40 -12.417 7.117 3.029 271 1HG1 ILE 40 1HG1 ILE 40 -10.947 6.637 0.393 272 2HG1 ILE 40 2HG1 ILE 40 -11.856 5.365 1.219 273 1HG2 ILE 40 1HG2 ILE 40 -10.860 9.029 3.218 274 2HG2 ILE 40 2HG2 ILE 40 -10.188 8.637 1.623 275 3HG2 ILE 40 3HG2 ILE 40 -11.879 9.141 1.781 276 1HD1 ILE 40 1HD1 ILE 40 -13.903 6.779 1.126 277 2HD1 ILE 40 2HD1 ILE 40 -13.000 7.982 0.173 278 3HD1 ILE 40 3HD1 ILE 40 -13.255 6.351 -0.468 279 H ASP 41 H ASP 41 -9.010 4.383 4.064 280 HA ASP 41 HA ASP 41 -9.338 2.167 4.548 281 1HB ASP 41 1HB ASP 41 -11.313 3.582 6.368 282 2HB ASP 41 2HB ASP 41 -10.989 1.847 6.484 283 H CYS 42 H CYS 42 -10.290 2.252 2.172 284 HA CYS 42 HA CYS 42 -13.094 1.328 2.130 285 1HB CYS 42 1HB CYS 42 -13.233 1.864 0.021 286 2HB CYS 42 2HB CYS 42 -12.062 3.065 0.525 287 H GLY 43 H GLY 43 -12.840 -0.360 -0.189 288 1HA GLY 43 1HA GLY 43 -11.021 -2.556 0.524 289 2HA GLY 43 2HA GLY 43 -12.749 -2.947 0.437 290 H ALA 44 H ALA 44 -9.914 -2.612 -1.396 291 HA ALA 44 HA ALA 44 -11.130 -3.388 -3.815 292 1HB ALA 44 1HB ALA 44 -10.615 -0.416 -3.565 293 2HB ALA 44 2HB ALA 44 -10.302 -1.214 -5.118 294 3HB ALA 44 3HB ALA 44 -11.921 -1.276 -4.403 295 H CYS 45 H CYS 45 -8.409 -1.228 -2.948 296 HA CYS 45 HA CYS 45 -6.576 -2.294 -4.773 297 1HB CYS 45 1HB CYS 45 -4.898 -1.111 -3.515 298 2HB CYS 45 2HB CYS 45 -6.324 -0.137 -3.795 299 H GLU 46 H GLU 46 -7.154 -3.209 -1.346 300 HA GLU 46 HA GLU 46 -5.010 -5.048 -1.165 301 1HB GLU 46 1HB GLU 46 -5.987 -5.827 0.840 302 2HB GLU 46 2HB GLU 46 -6.226 -4.080 0.742 303 1HG GLU 46 1HG GLU 46 -8.291 -6.268 0.400 304 2HG GLU 46 2HG GLU 46 -8.247 -4.988 1.615 305 H ALA 47 H ALA 47 -8.456 -5.724 -2.055 306 HA ALA 47 HA ALA 47 -8.065 -8.457 -2.641 307 1HB ALA 47 1HB ALA 47 -10.269 -7.372 -2.432 308 2HB ALA 47 2HB ALA 47 -9.973 -6.454 -3.923 309 3HB ALA 47 3HB ALA 47 -10.118 -8.224 -3.983 310 H VAL 48 H VAL 48 -7.451 -5.524 -4.641 311 HA VAL 48 HA VAL 48 -7.020 -6.945 -7.065 312 HB VAL 48 HB VAL 48 -6.240 -4.206 -6.083 313 1HG1 VAL 48 1HG1 VAL 48 -5.660 -5.421 -8.799 314 2HG1 VAL 48 2HG1 VAL 48 -5.654 -3.679 -8.439 315 3HG1 VAL 48 3HG1 VAL 48 -4.488 -4.744 -7.639 316 1HG2 VAL 48 1HG2 VAL 48 -8.663 -4.843 -6.651 317 2HG2 VAL 48 2HG2 VAL 48 -7.979 -3.482 -7.547 318 3HG2 VAL 48 3HG2 VAL 48 -8.111 -5.079 -8.316 319 H CYS 49 H CYS 49 -4.720 -6.249 -4.354 320 HA CYS 49 HA CYS 49 -2.485 -7.310 -5.899 321 1HB CYS 49 1HB CYS 49 -2.393 -5.741 -3.813 322 2HB CYS 49 2HB CYS 49 -2.528 -7.274 -2.922 323 HA PRO 50 HA PRO 50 -4.421 -11.394 -5.189 324 1HB PRO 50 1HB PRO 50 -2.871 -12.989 -6.757 325 2HB PRO 50 2HB PRO 50 -4.046 -11.828 -7.440 326 1HG PRO 50 1HG PRO 50 -1.065 -11.417 -7.057 327 2HG PRO 50 2HG PRO 50 -2.029 -11.131 -8.536 328 1HD PRO 50 1HD PRO 50 -1.416 -9.117 -6.797 329 2HD PRO 50 2HD PRO 50 -2.978 -9.186 -7.658 330 H VAL 51 H VAL 51 -1.260 -10.329 -4.405 331 HA VAL 51 HA VAL 51 -0.459 -12.735 -2.930 332 HB VAL 51 HB VAL 51 1.630 -11.937 -3.087 333 1HG1 VAL 51 1HG1 VAL 51 0.763 -11.483 -5.416 334 2HG1 VAL 51 2HG1 VAL 51 0.511 -9.777 -4.929 335 3HG1 VAL 51 3HG1 VAL 51 2.138 -10.475 -4.947 336 1HG2 VAL 51 1HG2 VAL 51 0.597 -9.152 -2.492 337 2HG2 VAL 51 2HG2 VAL 51 1.480 -10.230 -1.381 338 3HG2 VAL 51 3HG2 VAL 51 2.306 -9.543 -2.780 339 H SER 52 H SER 52 -2.291 -9.825 -2.427 340 HA SER 52 HA SER 52 -2.829 -8.545 -0.675 341 1HB SER 52 1HB SER 52 -2.650 -11.153 0.870 342 2HB SER 52 2HB SER 52 -3.615 -9.720 1.280 343 HG SER 52 HG SER 52 -4.320 -10.238 -1.146 344 H ALA 53 H ALA 53 -0.413 -7.889 -1.194 345 HA ALA 53 HA ALA 53 1.388 -8.028 1.143 346 1HB ALA 53 1HB ALA 53 1.426 -6.296 -1.369 347 2HB ALA 53 2HB ALA 53 2.711 -6.384 -0.148 348 3HB ALA 53 3HB ALA 53 2.334 -7.804 -1.134 349 H ILE 54 H ILE 54 -1.316 -6.202 0.017 350 HA ILE 54 HA ILE 54 -0.843 -3.803 1.597 351 HB ILE 54 HB ILE 54 -3.242 -4.829 0.048 352 1HG1 ILE 54 1HG1 ILE 54 -1.178 -2.744 -0.704 353 2HG1 ILE 54 2HG1 ILE 54 -1.176 -4.394 -1.349 354 1HG2 ILE 54 1HG2 ILE 54 -3.857 -3.182 1.794 355 2HG2 ILE 54 2HG2 ILE 54 -2.631 -2.055 1.175 356 3HG2 ILE 54 3HG2 ILE 54 -4.057 -2.472 0.199 357 1HD1 ILE 54 1HD1 ILE 54 -3.367 -4.003 -2.378 358 2HD1 ILE 54 2HD1 ILE 54 -3.309 -2.299 -1.870 359 3HD1 ILE 54 3HD1 ILE 54 -2.104 -2.932 -2.995 360 H TYR 55 H TYR 55 -1.386 -3.706 3.771 361 HA TYR 55 HA TYR 55 -3.545 -5.470 4.825 362 1HB TYR 55 1HB TYR 55 -0.778 -4.893 5.901 363 2HB TYR 55 2HB TYR 55 -2.049 -5.545 6.899 364 HD1 TYR 55 HD1 TYR 55 -3.232 -7.760 5.774 365 HD2 TYR 55 HD2 TYR 55 0.789 -6.392 5.003 366 HE1 TYR 55 HE1 TYR 55 -2.627 -10.000 4.905 367 HE2 TYR 55 HE2 TYR 55 1.385 -8.637 4.155 368 HH TYR 55 HH TYR 55 -0.333 -10.442 2.892 369 H HIS 56 H HIS 56 -4.237 -4.564 6.969 370 HA HIS 56 HA HIS 56 -4.584 -1.674 6.827 371 1HB HIS 56 1HB HIS 56 -5.761 -3.896 8.273 372 2HB HIS 56 2HB HIS 56 -5.079 -2.824 9.485 373 HD1 HIS 56 HD1 HIS 56 -6.392 -0.586 9.949 374 HD2 HIS 56 HD2 HIS 56 -7.825 -3.005 6.807 375 HE1 HIS 56 HE1 HIS 56 -8.737 0.257 9.370 376 H GLU 57 H GLU 57 -3.542 -0.053 8.149 377 HA GLU 57 HA GLU 57 -0.868 -0.437 8.811 378 1HB GLU 57 1HB GLU 57 -3.060 1.330 10.073 379 2HB GLU 57 2HB GLU 57 -1.332 1.603 10.299 380 1HG GLU 57 1HG GLU 57 -0.984 2.410 8.217 381 2HG GLU 57 2HG GLU 57 -2.474 1.718 7.541 382 H ASP 58 H ASP 58 -3.740 -0.747 10.861 383 HA ASP 58 HA ASP 58 -2.628 -1.322 13.298 384 1HB ASP 58 1HB ASP 58 -5.049 -2.723 12.128 385 2HB ASP 58 2HB ASP 58 -4.770 -2.241 13.801 386 H PHE 59 H PHE 59 -2.811 -3.305 10.449 387 HA PHE 59 HA PHE 59 -2.666 -5.872 11.922 388 1HB PHE 59 1HB PHE 59 -4.233 -5.482 10.008 389 2HB PHE 59 2HB PHE 59 -2.840 -5.322 8.956 390 HD1 PHE 59 HD1 PHE 59 -1.319 -7.330 8.553 391 HD2 PHE 59 HD2 PHE 59 -5.039 -7.634 10.724 392 HE1 PHE 59 HE1 PHE 59 -1.331 -9.776 8.198 393 HE2 PHE 59 HE2 PHE 59 -5.040 -10.083 10.367 394 HZ PHE 59 HZ PHE 59 -3.185 -11.162 9.108 395 H VAL 60 H VAL 60 -0.778 -3.841 9.667 396 HA VAL 60 HA VAL 60 1.257 -5.624 9.064 397 HB VAL 60 HB VAL 60 1.309 -2.607 9.341 398 1HG1 VAL 60 1HG1 VAL 60 3.399 -4.563 8.285 399 2HG1 VAL 60 2HG1 VAL 60 3.399 -2.843 7.871 400 3HG1 VAL 60 3HG1 VAL 60 3.622 -3.335 9.555 401 1HG2 VAL 60 1HG2 VAL 60 1.117 -4.592 7.028 402 2HG2 VAL 60 2HG2 VAL 60 -0.165 -3.500 7.589 403 3HG2 VAL 60 3HG2 VAL 60 1.269 -2.847 6.806 404 HA PRO 61 HA PRO 61 3.034 -6.361 13.156 405 1HB PRO 61 1HB PRO 61 5.374 -7.251 11.455 406 2HB PRO 61 2HB PRO 61 4.670 -8.059 12.881 407 1HG PRO 61 1HG PRO 61 4.079 -8.953 10.392 408 2HG PRO 61 2HG PRO 61 2.771 -8.782 11.605 409 1HD PRO 61 1HD PRO 61 3.489 -6.872 9.364 410 2HD PRO 61 2HD PRO 61 1.888 -7.485 9.901 411 H GLU 62 H GLU 62 4.536 -5.274 14.546 412 HA GLU 62 HA GLU 62 5.533 -2.821 14.295 413 1HB GLU 62 1HB GLU 62 6.077 -5.336 15.806 414 2HB GLU 62 2HB GLU 62 7.107 -3.960 16.035 415 1HG GLU 62 1HG GLU 62 5.170 -4.069 17.659 416 2HG GLU 62 2HG GLU 62 5.247 -2.558 16.744 417 H GLU 63 H GLU 63 7.411 -5.780 13.415 418 HA GLU 63 HA GLU 63 9.831 -4.624 12.685 419 1HB GLU 63 1HB GLU 63 8.333 -6.768 11.140 420 2HB GLU 63 2HB GLU 63 10.068 -6.450 11.123 421 1HG GLU 63 1HG GLU 63 10.086 -8.157 12.623 422 2HG GLU 63 2HG GLU 63 9.782 -6.866 13.788 423 H TRP 64 H TRP 64 6.790 -4.696 10.888 424 HA TRP 64 HA TRP 64 7.883 -3.097 8.636 425 1HB TRP 64 1HB TRP 64 5.546 -4.974 8.950 426 2HB TRP 64 2HB TRP 64 5.754 -3.950 7.534 427 HD1 TRP 64 HD1 TRP 64 9.138 -4.807 7.844 428 HE1 TRP 64 HE1 TRP 64 9.760 -6.861 6.432 429 HE3 TRP 64 HE3 TRP 64 4.457 -6.796 7.093 430 HZ2 TRP 64 HZ2 TRP 64 8.484 -9.140 5.342 431 HZ3 TRP 64 HZ3 TRP 64 4.205 -8.863 5.753 432 HH2 TRP 64 HH2 TRP 64 6.222 -9.998 4.805 433 H LYS 65 H LYS 65 6.221 -2.412 11.574 434 HA LYS 65 HA LYS 65 4.312 -0.526 10.661 435 1HB LYS 65 1HB LYS 65 5.999 -0.916 13.141 436 2HB LYS 65 2HB LYS 65 4.990 0.445 12.950 437 1HG LYS 65 1HG LYS 65 3.955 -2.402 12.873 438 2HG LYS 65 2HG LYS 65 3.907 -1.296 14.268 439 1HD LYS 65 1HD LYS 65 2.570 0.240 12.596 440 2HD LYS 65 2HD LYS 65 2.303 -1.290 11.732 441 1HE LYS 65 1HE LYS 65 1.520 -0.628 14.619 442 2HE LYS 65 2HE LYS 65 0.435 -0.841 13.239 443 1HZ LYS 65 1HZ LYS 65 1.417 -3.175 13.165 444 2HZ LYS 65 2HZ LYS 65 1.980 -2.862 14.686 445 3HZ LYS 65 3HZ LYS 65 0.369 -2.844 14.388 446 H SER 66 H SER 66 7.803 -0.640 10.680 447 HA SER 66 HA SER 66 8.615 2.015 10.338 448 1HB SER 66 1HB SER 66 10.322 0.776 8.801 449 2HB SER 66 2HB SER 66 10.212 0.232 10.489 450 HG SER 66 HG SER 66 9.718 -1.681 9.664 451 H TYR 67 H TYR 67 7.152 -0.302 7.970 452 HA TYR 67 HA TYR 67 7.304 1.551 5.770 453 1HB TYR 67 1HB TYR 67 5.542 -0.879 6.168 454 2HB TYR 67 2HB TYR 67 5.466 0.202 4.783 455 HD1 TYR 67 HD1 TYR 67 7.292 0.410 3.162 456 HD2 TYR 67 HD2 TYR 67 7.410 -2.509 6.333 457 HE1 TYR 67 HE1 TYR 67 9.022 -0.867 1.930 458 HE2 TYR 67 HE2 TYR 67 9.141 -3.783 5.092 459 HH TYR 67 HH TYR 67 10.448 -3.896 3.169 460 H ILE 68 H ILE 68 4.837 1.140 8.433 461 HA ILE 68 HA ILE 68 2.801 2.618 7.028 462 HB ILE 68 HB ILE 68 3.348 1.781 9.905 463 1HG1 ILE 68 1HG1 ILE 68 1.314 0.558 9.699 464 2HG1 ILE 68 2HG1 ILE 68 0.989 1.233 8.103 465 1HG2 ILE 68 1HG2 ILE 68 1.182 3.633 8.946 466 2HG2 ILE 68 2HG2 ILE 68 1.192 2.787 10.516 467 3HG2 ILE 68 3HG2 ILE 68 2.459 3.966 10.153 468 1HD1 ILE 68 1HD1 ILE 68 2.951 -0.016 7.190 469 2HD1 ILE 68 2HD1 ILE 68 3.188 -0.714 8.804 470 3HD1 ILE 68 3HD1 ILE 68 1.689 -0.997 7.892 471 H GLN 69 H GLN 69 5.404 3.405 9.359 472 HA GLN 69 HA GLN 69 4.904 6.186 9.342 473 1HB GLN 69 1HB GLN 69 6.365 5.034 10.977 474 2HB GLN 69 2HB GLN 69 7.578 4.769 9.720 475 1HG GLN 69 1HG GLN 69 8.138 6.698 11.146 476 2HG GLN 69 2HG GLN 69 7.908 7.192 9.466 477 1HE2 GLN 69 2HE2 GLN 69 6.019 8.423 8.883 478 2HE2 GLN 69 1HE2 GLN 69 5.158 9.308 10.148 479 H LYS 70 H LYS 70 6.993 4.197 7.193 480 HA LYS 70 HA LYS 70 8.023 6.392 5.749 481 1HB LYS 70 1HB LYS 70 8.908 3.998 5.695 482 2HB LYS 70 2HB LYS 70 7.530 3.591 4.686 483 1HG LYS 70 1HG LYS 70 9.433 3.910 3.235 484 2HG LYS 70 2HG LYS 70 8.256 5.159 2.967 485 1HD LYS 70 1HD LYS 70 10.007 6.309 4.914 486 2HD LYS 70 2HD LYS 70 11.047 5.316 3.915 487 1HE LYS 70 1HE LYS 70 11.008 7.519 2.945 488 2HE LYS 70 2HE LYS 70 10.130 6.437 1.864 489 1HZ LYS 70 1HZ LYS 70 8.063 7.361 3.134 490 2HZ LYS 70 2HZ LYS 70 9.096 8.530 3.650 491 3HZ LYS 70 3HZ LYS 70 8.831 8.332 2.052 492 H ASN 71 H ASN 71 5.233 4.374 5.120 493 HA ASN 71 HA ASN 71 4.288 5.534 2.702 494 1HB ASN 71 1HB ASN 71 3.011 3.963 4.897 495 2HB ASN 71 2HB ASN 71 2.015 4.701 3.673 496 1HD2 ASN 71 2HD2 ASN 71 4.700 2.387 4.049 497 2HD2 ASN 71 1HD2 ASN 71 4.288 1.461 2.609 498 H ARG 72 H ARG 72 3.683 6.464 6.137 499 HA ARG 72 HA ARG 72 1.815 8.536 5.741 500 1HB ARG 72 1HB ARG 72 2.653 7.322 7.805 501 2HB ARG 72 2HB ARG 72 4.056 8.344 7.782 502 1HG ARG 72 1HG ARG 72 3.051 9.956 8.882 503 2HG ARG 72 2HG ARG 72 1.765 10.069 7.668 504 1HD ARG 72 1HD ARG 72 1.890 7.928 9.827 505 2HD ARG 72 2HD ARG 72 0.958 9.430 9.957 506 HE ARG 72 HE ARG 72 -0.058 8.733 7.690 507 1HH1 ARG 72 1HH1 ARG 72 0.901 5.981 9.723 508 2HH1 ARG 72 2HH1 ARG 72 -0.703 5.246 9.508 509 1HH2 ARG 72 1HH2 ARG 72 -2.251 7.951 8.094 510 2HH2 ARG 72 2HH2 ARG 72 -2.350 6.208 8.583 511 H ASP 73 H ASP 73 5.316 8.490 6.183 512 HA ASP 73 HA ASP 73 5.925 11.169 6.040 513 1HB ASP 73 1HB ASP 73 7.285 9.461 7.072 514 2HB ASP 73 2HB ASP 73 7.387 8.547 5.578 515 H PHE 74 H PHE 74 6.006 8.713 3.448 516 HA PHE 74 HA PHE 74 7.386 9.873 1.395 517 1HB PHE 74 1HB PHE 74 5.098 8.080 1.505 518 2HB PHE 74 2HB PHE 74 5.138 9.103 0.081 519 HD1 PHE 74 HD1 PHE 74 6.973 9.134 -1.530 520 HD2 PHE 74 HD2 PHE 74 6.598 6.139 1.532 521 HE1 PHE 74 HE1 PHE 74 8.594 7.688 -2.719 522 HE2 PHE 74 HE2 PHE 74 8.500 4.880 0.520 523 HZ PHE 74 HZ PHE 74 9.489 5.642 -1.598 524 H PHE 75 H PHE 75 4.026 10.696 2.151 525 HA PHE 75 HA PHE 75 4.121 12.924 0.193 526 1HB PHE 75 1HB PHE 75 1.731 11.819 1.546 527 2HB PHE 75 2HB PHE 75 1.805 12.680 0.024 528 HD1 PHE 75 HD1 PHE 75 3.191 11.524 -1.906 529 HD2 PHE 75 HD2 PHE 75 1.807 9.409 1.592 530 HE1 PHE 75 HE1 PHE 75 3.720 9.357 -2.990 531 HE2 PHE 75 HE2 PHE 75 2.252 7.258 0.474 532 HZ PHE 75 HZ PHE 75 3.260 7.228 -1.801 533 H LYS 76 H LYS 76 4.031 12.380 3.658 534 HA LYS 76 HA LYS 76 3.168 15.166 4.247 535 1HB LYS 76 1HB LYS 76 4.016 12.775 5.918 536 2HB LYS 76 2HB LYS 76 4.164 14.406 6.533 537 1HG LYS 76 1HG LYS 76 2.194 13.926 7.385 538 2HG LYS 76 2HG LYS 76 1.624 14.713 5.914 539 1HD LYS 76 1HD LYS 76 1.994 11.717 6.235 540 2HD LYS 76 2HD LYS 76 0.512 12.497 6.750 541 1HE LYS 76 1HE LYS 76 -0.256 12.899 4.619 542 2HE LYS 76 2HE LYS 76 1.345 12.960 3.897 543 1HZ LYS 76 1HZ LYS 76 0.063 10.501 4.901 544 2HZ LYS 76 2HZ LYS 76 0.138 10.935 3.324 545 3HZ LYS 76 3HZ LYS 76 1.537 10.603 4.167 546 H LYS 77 H LYS 77 4.781 16.233 2.803 547 HA LYS 77 HA LYS 77 7.328 16.609 4.076 548 1HB LYS 77 1HB LYS 77 7.296 14.353 2.631 549 2HB LYS 77 2HB LYS 77 7.412 15.450 1.277 550 1HG LYS 77 1HG LYS 77 9.539 16.078 1.749 551 2HG LYS 77 2HG LYS 77 9.361 16.040 3.495 552 1HD LYS 77 1HD LYS 77 9.330 13.457 1.900 553 2HD LYS 77 2HD LYS 77 10.852 14.242 2.326 554 1HE LYS 77 1HE LYS 77 10.207 12.454 3.954 555 2HE LYS 77 2HE LYS 77 10.440 14.042 4.704 556 1HZ LYS 77 1HZ LYS 77 7.861 12.783 4.043 557 2HZ LYS 77 2HZ LYS 77 8.566 12.805 5.494 558 3HZ LYS 77 3HZ LYS 77 7.968 14.201 4.821 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -6.923 1.564 8.030 2 2H ALA 1 2H ALA 1 -6.914 2.945 8.659 3 3H ALA 1 3H ALA 1 -8.012 2.561 7.683 4 HA ALA 1 HA ALA 1 -6.714 3.197 5.776 5 1HB ALA 1 1HB ALA 1 -4.599 3.693 7.910 6 2HB ALA 1 2HB ALA 1 -4.457 4.139 6.196 7 3HB ALA 1 3HB ALA 1 -5.728 4.874 7.206 8 H TYR 2 H TYR 2 -5.766 1.829 4.255 9 HA TYR 2 HA TYR 2 -4.360 -0.587 5.280 10 1HB TYR 2 1HB TYR 2 -5.667 0.021 2.606 11 2HB TYR 2 2HB TYR 2 -4.771 -1.432 3.001 12 HD1 TYR 2 HD1 TYR 2 -5.667 -3.179 4.449 13 HD2 TYR 2 HD2 TYR 2 -7.933 0.366 3.522 14 HE1 TYR 2 HE1 TYR 2 -7.763 -4.475 4.597 15 HE2 TYR 2 HE2 TYR 2 -10.025 -0.936 3.704 16 HH TYR 2 HH TYR 2 -10.056 -3.689 2.757 17 H VAL 3 H VAL 3 -2.307 -1.059 4.650 18 HA VAL 3 HA VAL 3 -0.889 0.840 2.861 19 HB VAL 3 HB VAL 3 0.145 0.001 5.589 20 1HG1 VAL 3 1HG1 VAL 3 0.860 2.222 3.609 21 2HG1 VAL 3 2HG1 VAL 3 1.593 2.035 5.206 22 3HG1 VAL 3 3HG1 VAL 3 1.853 0.789 3.976 23 1HG2 VAL 3 1HG2 VAL 3 -1.356 2.565 4.907 24 2HG2 VAL 3 2HG2 VAL 3 -1.836 1.333 6.103 25 3HG2 VAL 3 3HG2 VAL 3 -0.402 2.312 6.381 26 H ILE 4 H ILE 4 0.864 -0.022 1.761 27 HA ILE 4 HA ILE 4 1.054 -2.833 1.329 28 HB ILE 4 HB ILE 4 2.872 -2.178 -0.120 29 1HG1 ILE 4 1HG1 ILE 4 3.215 0.486 -0.240 30 2HG1 ILE 4 2HG1 ILE 4 2.903 0.341 1.485 31 1HG2 ILE 4 1HG2 ILE 4 0.226 -1.022 -0.308 32 2HG2 ILE 4 2HG2 ILE 4 1.380 -0.027 -1.172 33 3HG2 ILE 4 3HG2 ILE 4 1.251 -1.745 -1.545 34 1HD1 ILE 4 1HD1 ILE 4 4.817 -1.420 1.481 35 2HD1 ILE 4 2HD1 ILE 4 4.993 -1.044 -0.232 36 3HD1 ILE 4 3HD1 ILE 4 5.308 0.207 0.992 37 H THR 5 H THR 5 3.100 -4.077 1.592 38 HA THR 5 HA THR 5 5.084 -3.104 3.479 39 HB THR 5 HB THR 5 4.910 -5.240 4.842 40 HG1 THR 5 HG1 THR 5 2.374 -5.418 3.534 41 1HG2 THR 5 1HG2 THR 5 4.085 -2.999 5.635 42 2HG2 THR 5 2HG2 THR 5 2.446 -3.508 5.155 43 3HG2 THR 5 3HG2 THR 5 3.337 -4.434 6.375 44 H GLU 6 H GLU 6 6.791 -4.817 3.680 45 HA GLU 6 HA GLU 6 8.388 -5.604 1.908 46 1HB GLU 6 1HB GLU 6 8.179 -6.355 4.285 47 2HB GLU 6 2HB GLU 6 7.431 -7.819 3.668 48 1HG GLU 6 1HG GLU 6 9.391 -8.607 3.224 49 2HG GLU 6 2HG GLU 6 9.795 -7.290 2.158 50 HA PRO 7 HA PRO 7 6.542 -9.358 -0.176 51 1HB PRO 7 1HB PRO 7 3.573 -9.245 0.207 52 2HB PRO 7 2HB PRO 7 4.654 -10.663 0.201 53 1HG PRO 7 1HG PRO 7 3.687 -9.713 2.555 54 2HG PRO 7 2HG PRO 7 5.421 -10.154 2.432 55 1HD PRO 7 1HD PRO 7 4.186 -7.416 2.044 56 2HD PRO 7 2HD PRO 7 5.434 -7.853 3.208 57 H CYS 8 H CYS 8 4.964 -6.228 -0.338 58 HA CYS 8 HA CYS 8 3.937 -6.447 -2.998 59 1HB CYS 8 1HB CYS 8 3.154 -4.672 -1.581 60 2HB CYS 8 2HB CYS 8 4.813 -4.147 -1.274 61 H ILE 9 H ILE 9 7.194 -5.942 -1.691 62 HA ILE 9 HA ILE 9 8.158 -4.445 -3.939 63 HB ILE 9 HB ILE 9 9.590 -5.822 -1.639 64 1HG1 ILE 9 1HG1 ILE 9 10.165 -3.216 -1.412 65 2HG1 ILE 9 2HG1 ILE 9 8.681 -3.014 -2.344 66 1HG2 ILE 9 1HG2 ILE 9 10.761 -4.082 -3.862 67 2HG2 ILE 9 2HG2 ILE 9 11.602 -4.599 -2.383 68 3HG2 ILE 9 3HG2 ILE 9 11.152 -5.795 -3.588 69 1HD1 ILE 9 1HD1 ILE 9 9.066 -4.459 0.267 70 2HD1 ILE 9 2HD1 ILE 9 8.357 -2.845 0.087 71 3HD1 ILE 9 3HD1 ILE 9 7.473 -4.252 -0.529 72 H GLY 10 H GLY 10 7.492 -5.455 -5.710 73 1HA GLY 10 1HA GLY 10 9.312 -7.536 -6.817 74 2HA GLY 10 2HA GLY 10 7.548 -7.730 -6.913 75 H THR 11 H THR 11 10.246 -5.670 -7.739 76 HA THR 11 HA THR 11 9.932 -3.571 -8.742 77 HB THR 11 HB THR 11 11.825 -4.880 -9.313 78 HG1 THR 11 HG1 THR 11 11.754 -2.919 -10.089 79 1HG2 THR 11 1HG2 THR 11 10.197 -5.997 -11.625 80 2HG2 THR 11 2HG2 THR 11 11.958 -5.904 -11.635 81 3HG2 THR 11 3HG2 THR 11 11.129 -6.851 -10.386 82 H LYS 12 H LYS 12 8.217 -2.496 -9.054 83 HA LYS 12 HA LYS 12 6.515 -1.437 -10.006 84 1HB LYS 12 1HB LYS 12 7.871 -2.121 -12.631 85 2HB LYS 12 2HB LYS 12 6.853 -0.722 -12.244 86 1HG LYS 12 1HG LYS 12 8.624 -0.191 -10.391 87 2HG LYS 12 2HG LYS 12 9.624 -1.402 -11.179 88 1HD LYS 12 1HD LYS 12 10.353 0.678 -12.016 89 2HD LYS 12 2HD LYS 12 9.499 -0.134 -13.328 90 1HE LYS 12 1HE LYS 12 9.029 2.319 -13.170 91 2HE LYS 12 2HE LYS 12 7.555 1.349 -13.047 92 1HZ LYS 12 1HZ LYS 12 8.960 2.317 -10.626 93 2HZ LYS 12 2HZ LYS 12 7.769 3.194 -11.350 94 3HZ LYS 12 3HZ LYS 12 7.394 1.779 -10.796 95 H CYS 13 H CYS 13 5.828 -4.036 -9.340 96 HA CYS 13 HA CYS 13 4.148 -5.486 -10.935 97 1HB CYS 13 1HB CYS 13 4.373 -6.092 -8.701 98 2HB CYS 13 2HB CYS 13 3.987 -4.468 -8.156 99 H ALA 14 H ALA 14 3.234 -2.468 -9.261 100 HA ALA 14 HA ALA 14 1.490 -1.025 -9.476 101 1HB ALA 14 1HB ALA 14 2.279 -0.674 -11.792 102 2HB ALA 14 2HB ALA 14 1.221 -1.969 -12.367 103 3HB ALA 14 3HB ALA 14 0.524 -0.511 -11.634 104 H SER 15 H SER 15 -0.635 -2.479 -11.583 105 HA SER 15 HA SER 15 -2.569 -3.538 -11.359 106 1HB SER 15 1HB SER 15 -1.530 -4.963 -8.892 107 2HB SER 15 2HB SER 15 -2.847 -5.439 -9.958 108 HG SER 15 HG SER 15 -0.089 -5.211 -10.663 109 H CYS 16 H CYS 16 -1.531 -2.637 -8.042 110 HA CYS 16 HA CYS 16 -4.130 -1.545 -7.265 111 1HB CYS 16 1HB CYS 16 -2.815 -0.687 -5.317 112 2HB CYS 16 2HB CYS 16 -2.742 -2.450 -5.534 113 H VAL 17 H VAL 17 -4.066 -0.417 -9.513 114 HA VAL 17 HA VAL 17 -3.344 2.412 -9.101 115 HB VAL 17 HB VAL 17 -2.574 2.610 -11.434 116 1HG1 VAL 17 1HG1 VAL 17 -0.988 2.512 -9.545 117 2HG1 VAL 17 2HG1 VAL 17 -0.815 0.759 -9.783 118 3HG1 VAL 17 3HG1 VAL 17 -0.301 1.886 -11.053 119 1HG2 VAL 17 1HG2 VAL 17 -3.510 0.531 -12.401 120 2HG2 VAL 17 2HG2 VAL 17 -1.766 0.653 -12.672 121 3HG2 VAL 17 3HG2 VAL 17 -2.387 -0.436 -11.420 122 H GLU 18 H GLU 18 -4.715 3.822 -10.385 123 HA GLU 18 HA GLU 18 -6.632 4.543 -11.146 124 1HB GLU 18 1HB GLU 18 -6.726 2.146 -12.789 125 2HB GLU 18 2HB GLU 18 -7.345 3.763 -13.125 126 1HG GLU 18 1HG GLU 18 -5.016 4.652 -13.137 127 2HG GLU 18 2HG GLU 18 -4.398 2.998 -12.958 128 H VAL 19 H VAL 19 -6.949 1.682 -9.314 129 HA VAL 19 HA VAL 19 -9.882 1.540 -9.575 130 HB VAL 19 HB VAL 19 -9.665 -0.331 -7.995 131 1HG1 VAL 19 1HG1 VAL 19 -9.589 -0.690 -10.440 132 2HG1 VAL 19 2HG1 VAL 19 -7.823 -0.557 -10.413 133 3HG1 VAL 19 3HG1 VAL 19 -8.621 -1.890 -9.564 134 1HG2 VAL 19 1HG2 VAL 19 -7.493 0.484 -6.866 135 2HG2 VAL 19 2HG2 VAL 19 -7.601 -1.233 -7.258 136 3HG2 VAL 19 3HG2 VAL 19 -6.640 -0.161 -8.284 137 H CYS 20 H CYS 20 -7.509 3.064 -7.512 138 HA CYS 20 HA CYS 20 -9.050 2.951 -5.157 139 1HB CYS 20 1HB CYS 20 -6.634 3.167 -5.120 140 2HB CYS 20 2HB CYS 20 -6.818 4.678 -6.001 141 HA PRO 21 HA PRO 21 -12.090 5.968 -6.308 142 1HB PRO 21 1HB PRO 21 -12.585 6.761 -3.538 143 2HB PRO 21 2HB PRO 21 -13.594 5.783 -4.625 144 1HG PRO 21 1HG PRO 21 -11.927 4.896 -2.415 145 2HG PRO 21 2HG PRO 21 -12.963 3.903 -3.469 146 1HD PRO 21 1HD PRO 21 -10.082 4.062 -3.484 147 2HD PRO 21 2HD PRO 21 -11.145 3.129 -4.583 148 H VAL 22 H VAL 22 -9.452 6.888 -4.126 149 HA VAL 22 HA VAL 22 -9.749 9.754 -4.949 150 HB VAL 22 HB VAL 22 -8.841 10.316 -2.708 151 1HG1 VAL 22 1HG1 VAL 22 -11.262 10.417 -3.194 152 2HG1 VAL 22 2HG1 VAL 22 -11.446 8.752 -2.608 153 3HG1 VAL 22 3HG1 VAL 22 -10.921 10.032 -1.498 154 1HG2 VAL 22 1HG2 VAL 22 -7.784 8.105 -2.180 155 2HG2 VAL 22 2HG2 VAL 22 -8.872 8.683 -0.907 156 3HG2 VAL 22 3HG2 VAL 22 -9.402 7.394 -1.996 157 H ASP 23 H ASP 23 -8.103 7.374 -6.020 158 HA ASP 23 HA ASP 23 -5.984 6.952 -6.685 159 1HB ASP 23 1HB ASP 23 -7.043 8.710 -8.170 160 2HB ASP 23 2HB ASP 23 -6.043 9.916 -7.341 161 H CYS 24 H CYS 24 -5.500 6.829 -4.156 162 HA CYS 24 HA CYS 24 -3.265 8.711 -3.483 163 1HB CYS 24 1HB CYS 24 -3.685 8.368 -1.235 164 2HB CYS 24 2HB CYS 24 -5.236 8.782 -2.001 165 HG CYS 24 HG CYS 24 -4.026 5.851 -1.049 166 H ILE 25 H ILE 25 -2.876 6.606 -5.261 167 HA ILE 25 HA ILE 25 -1.100 4.763 -3.761 168 HB ILE 25 HB ILE 25 -1.419 3.079 -5.372 169 1HG1 ILE 25 1HG1 ILE 25 -1.743 4.127 -7.458 170 2HG1 ILE 25 2HG1 ILE 25 -3.106 3.079 -7.086 171 1HG2 ILE 25 1HG2 ILE 25 -3.731 3.982 -3.789 172 2HG2 ILE 25 2HG2 ILE 25 -4.180 2.962 -5.157 173 3HG2 ILE 25 3HG2 ILE 25 -3.012 2.372 -4.004 174 1HD1 ILE 25 1HD1 ILE 25 -4.456 5.085 -6.429 175 2HD1 ILE 25 2HD1 ILE 25 -3.157 6.100 -7.113 176 3HD1 ILE 25 3HD1 ILE 25 -4.015 4.960 -8.141 177 H HIS 26 H HIS 26 1.061 4.938 -4.387 178 HA HIS 26 HA HIS 26 1.808 6.631 -6.702 179 1HB HIS 26 1HB HIS 26 2.680 6.746 -3.765 180 2HB HIS 26 2HB HIS 26 3.225 7.782 -5.070 181 HD1 HIS 26 HD1 HIS 26 1.064 9.314 -6.230 182 HD2 HIS 26 HD2 HIS 26 0.470 7.493 -2.489 183 HE1 HIS 26 HE1 HIS 26 -1.029 10.367 -5.229 184 H GLU 27 H GLU 27 4.307 6.419 -6.869 185 HA GLU 27 HA GLU 27 5.251 3.749 -5.985 186 1HB GLU 27 1HB GLU 27 6.257 5.557 -8.218 187 2HB GLU 27 2HB GLU 27 7.041 4.060 -7.681 188 1HG GLU 27 1HG GLU 27 4.991 2.804 -8.085 189 2HG GLU 27 2HG GLU 27 4.267 4.268 -8.788 190 H GLY 28 H GLY 28 7.285 3.469 -5.356 191 1HA GLY 28 1HA GLY 28 8.986 5.732 -4.425 192 2HA GLY 28 2HA GLY 28 8.737 4.279 -3.420 193 H GLU 29 H GLU 29 9.556 5.353 -6.618 194 HA GLU 29 HA GLU 29 10.543 4.687 -8.456 195 1HB GLU 29 1HB GLU 29 12.422 3.619 -6.313 196 2HB GLU 29 2HB GLU 29 12.835 3.773 -8.026 197 1HG GLU 29 1HG GLU 29 13.646 5.728 -6.837 198 2HG GLU 29 2HG GLU 29 12.347 6.216 -7.931 199 H ASP 30 H ASP 30 10.770 1.918 -6.353 200 HA ASP 30 HA ASP 30 10.632 0.065 -8.702 201 1HB ASP 30 1HB ASP 30 12.602 -0.064 -7.172 202 2HB ASP 30 2HB ASP 30 11.507 -0.534 -5.856 203 H GLN 31 H GLN 31 8.632 1.103 -5.991 204 HA GLN 31 HA GLN 31 6.807 -1.189 -6.383 205 1HB GLN 31 1HB GLN 31 6.829 -1.567 -3.903 206 2HB GLN 31 2HB GLN 31 8.316 -2.059 -4.705 207 1HG GLN 31 1HG GLN 31 9.610 -0.522 -3.676 208 2HG GLN 31 2HG GLN 31 8.441 0.778 -3.819 209 1HE2 GLN 31 2HE2 GLN 31 6.272 -0.106 -2.423 210 2HE2 GLN 31 1HE2 GLN 31 6.729 -0.310 -0.741 211 H TYR 32 H TYR 32 4.789 -0.808 -5.152 212 HA TYR 32 HA TYR 32 4.120 2.014 -5.429 213 1HB TYR 32 1HB TYR 32 2.450 -0.463 -5.190 214 2HB TYR 32 2HB TYR 32 1.752 1.134 -4.972 215 HD1 TYR 32 HD1 TYR 32 3.971 -0.696 -7.423 216 HD2 TYR 32 HD2 TYR 32 1.034 2.408 -6.810 217 HE1 TYR 32 HE1 TYR 32 4.292 0.074 -9.739 218 HE2 TYR 32 HE2 TYR 32 1.367 3.164 -9.140 219 HH TYR 32 HH TYR 32 4.124 2.095 -10.917 220 H TYR 33 H TYR 33 2.727 3.071 -3.874 221 HA TYR 33 HA TYR 33 3.177 2.503 -1.000 222 1HB TYR 33 1HB TYR 33 4.212 4.766 -2.728 223 2HB TYR 33 2HB TYR 33 3.670 5.127 -1.106 224 HD1 TYR 33 HD1 TYR 33 4.819 4.246 0.839 225 HD2 TYR 33 HD2 TYR 33 6.225 3.313 -3.088 226 HE1 TYR 33 HE1 TYR 33 6.734 3.003 1.838 227 HE2 TYR 33 HE2 TYR 33 8.299 2.359 -2.113 228 HH TYR 33 HH TYR 33 9.012 1.163 -0.150 229 H ILE 34 H ILE 34 1.328 3.129 0.168 230 HA ILE 34 HA ILE 34 -0.839 4.406 -1.359 231 HB ILE 34 HB ILE 34 -0.912 2.231 0.748 232 1HG1 ILE 34 1HG1 ILE 34 -2.368 2.377 -1.937 233 2HG1 ILE 34 2HG1 ILE 34 -0.789 1.629 -1.770 234 1HG2 ILE 34 1HG2 ILE 34 -3.166 4.071 -0.146 235 2HG2 ILE 34 2HG2 ILE 34 -3.426 2.570 0.762 236 3HG2 ILE 34 3HG2 ILE 34 -2.546 3.880 1.504 237 1HD1 ILE 34 1HD1 ILE 34 -1.733 0.038 -0.101 238 2HD1 ILE 34 2HD1 ILE 34 -3.342 0.724 -0.381 239 3HD1 ILE 34 3HD1 ILE 34 -2.482 -0.056 -1.709 240 H ASP 35 H ASP 35 -1.475 6.413 -0.464 241 HA ASP 35 HA ASP 35 -0.043 7.392 1.866 242 1HB ASP 35 1HB ASP 35 -0.982 8.882 0.057 243 2HB ASP 35 2HB ASP 35 -2.571 8.605 0.830 244 HA PRO 36 HA PRO 36 -2.918 5.070 4.475 245 1HB PRO 36 1HB PRO 36 -1.630 6.434 6.788 246 2HB PRO 36 2HB PRO 36 -1.770 4.677 6.473 247 1HG PRO 36 1HG PRO 36 0.635 6.031 6.229 248 2HG PRO 36 2HG PRO 36 0.186 4.676 5.159 249 1HD PRO 36 1HD PRO 36 -0.035 7.640 4.591 250 2HD PRO 36 2HD PRO 36 0.581 6.322 3.572 251 H ASP 37 H ASP 37 -2.354 8.559 4.533 252 HA ASP 37 HA ASP 37 -4.609 9.023 6.416 253 1HB ASP 37 1HB ASP 37 -3.126 10.516 7.083 254 2HB ASP 37 2HB ASP 37 -2.201 10.458 5.604 255 H VAL 38 H VAL 38 -3.771 9.158 2.939 256 HA VAL 38 HA VAL 38 -6.364 10.515 2.449 257 HB VAL 38 HB VAL 38 -4.390 9.595 0.384 258 1HG1 VAL 38 1HG1 VAL 38 -6.730 11.532 0.309 259 2HG1 VAL 38 2HG1 VAL 38 -5.570 11.268 -1.009 260 3HG1 VAL 38 3HG1 VAL 38 -6.649 9.961 -0.513 261 1HG2 VAL 38 1HG2 VAL 38 -3.379 11.303 1.930 262 2HG2 VAL 38 2HG2 VAL 38 -3.676 11.955 0.318 263 3HG2 VAL 38 3HG2 VAL 38 -4.781 12.344 1.655 264 H CYS 39 H CYS 39 -5.086 7.148 2.364 265 HA CYS 39 HA CYS 39 -7.230 6.059 0.874 266 1HB CYS 39 1HB CYS 39 -5.341 4.692 1.402 267 2HB CYS 39 2HB CYS 39 -5.616 4.898 3.125 268 H ILE 40 H ILE 40 -9.342 6.086 1.214 269 HA ILE 40 HA ILE 40 -10.444 6.805 3.856 270 HB ILE 40 HB ILE 40 -12.548 7.081 2.575 271 1HG1 ILE 40 1HG1 ILE 40 -10.916 6.702 0.033 272 2HG1 ILE 40 2HG1 ILE 40 -11.848 5.381 0.740 273 1HG2 ILE 40 1HG2 ILE 40 -10.939 8.951 2.937 274 2HG2 ILE 40 2HG2 ILE 40 -10.211 8.602 1.358 275 3HG2 ILE 40 3HG2 ILE 40 -11.894 9.136 1.458 276 1HD1 ILE 40 1HD1 ILE 40 -13.576 7.695 0.591 277 2HD1 ILE 40 2HD1 ILE 40 -12.790 7.439 -0.977 278 3HD1 ILE 40 3HD1 ILE 40 -13.713 6.128 -0.222 279 H ASP 41 H ASP 41 -9.333 4.133 3.617 280 HA ASP 41 HA ASP 41 -9.852 1.910 3.865 281 1HB ASP 41 1HB ASP 41 -11.648 3.370 5.830 282 2HB ASP 41 2HB ASP 41 -11.556 1.604 5.793 283 H CYS 42 H CYS 42 -10.666 2.169 1.584 284 HA CYS 42 HA CYS 42 -13.479 1.255 1.325 285 1HB CYS 42 1HB CYS 42 -13.411 1.789 -0.824 286 2HB CYS 42 2HB CYS 42 -12.326 3.029 -0.208 287 H GLY 43 H GLY 43 -13.328 -0.511 -0.722 288 1HA GLY 43 1HA GLY 43 -11.419 -2.678 0.060 289 2HA GLY 43 2HA GLY 43 -13.128 -3.023 -0.221 290 H ALA 44 H ALA 44 -10.054 -2.531 -1.701 291 HA ALA 44 HA ALA 44 -11.018 -3.344 -4.272 292 1HB ALA 44 1HB ALA 44 -10.142 -0.427 -4.037 293 2HB ALA 44 2HB ALA 44 -10.276 -1.326 -5.562 294 3HB ALA 44 3HB ALA 44 -11.715 -1.029 -4.575 295 H CYS 45 H CYS 45 -8.319 -1.195 -3.309 296 HA CYS 45 HA CYS 45 -6.417 -2.382 -4.902 297 1HB CYS 45 1HB CYS 45 -4.793 -1.146 -3.679 298 2HB CYS 45 2HB CYS 45 -6.221 -0.189 -3.976 299 H GLU 46 H GLU 46 -7.183 -3.251 -1.495 300 HA GLU 46 HA GLU 46 -4.982 -5.060 -1.171 301 1HB GLU 46 1HB GLU 46 -7.341 -5.846 0.380 302 2HB GLU 46 2HB GLU 46 -5.735 -5.359 0.896 303 1HG GLU 46 1HG GLU 46 -7.171 -3.854 1.897 304 2HG GLU 46 2HG GLU 46 -6.549 -2.906 0.551 305 H ALA 47 H ALA 47 -8.217 -5.437 -2.459 306 HA ALA 47 HA ALA 47 -8.085 -8.347 -2.673 307 1HB ALA 47 1HB ALA 47 -10.136 -6.369 -2.841 308 2HB ALA 47 2HB ALA 47 -10.057 -7.143 -4.433 309 3HB ALA 47 3HB ALA 47 -10.291 -8.127 -2.978 310 H VAL 48 H VAL 48 -7.452 -5.513 -4.745 311 HA VAL 48 HA VAL 48 -7.093 -6.977 -7.179 312 HB VAL 48 HB VAL 48 -6.302 -4.238 -6.204 313 1HG1 VAL 48 1HG1 VAL 48 -5.754 -5.422 -8.941 314 2HG1 VAL 48 2HG1 VAL 48 -5.761 -3.683 -8.564 315 3HG1 VAL 48 3HG1 VAL 48 -4.577 -4.743 -7.787 316 1HG2 VAL 48 1HG2 VAL 48 -8.734 -5.291 -7.135 317 2HG2 VAL 48 2HG2 VAL 48 -8.292 -3.582 -7.056 318 3HG2 VAL 48 3HG2 VAL 48 -8.056 -4.492 -8.559 319 H CYS 49 H CYS 49 -4.726 -5.965 -4.622 320 HA CYS 49 HA CYS 49 -2.439 -6.940 -5.979 321 1HB CYS 49 1HB CYS 49 -2.609 -5.580 -3.775 322 2HB CYS 49 2HB CYS 49 -2.830 -7.171 -3.016 323 HA PRO 50 HA PRO 50 -4.019 -11.204 -5.833 324 1HB PRO 50 1HB PRO 50 -2.441 -12.405 -7.679 325 2HB PRO 50 2HB PRO 50 -3.566 -11.098 -8.132 326 1HG PRO 50 1HG PRO 50 -0.608 -10.824 -7.501 327 2HG PRO 50 2HG PRO 50 -1.463 -10.254 -8.964 328 1HD PRO 50 1HD PRO 50 -0.992 -8.617 -6.815 329 2HD PRO 50 2HD PRO 50 -2.478 -8.487 -7.794 330 H VAL 51 H VAL 51 -2.566 -10.470 -3.699 331 HA VAL 51 HA VAL 51 -0.998 -12.663 -2.727 332 HB VAL 51 HB VAL 51 1.076 -11.997 -3.219 333 1HG1 VAL 51 1HG1 VAL 51 -0.103 -9.490 -4.488 334 2HG1 VAL 51 2HG1 VAL 51 1.611 -9.945 -4.563 335 3HG1 VAL 51 3HG1 VAL 51 0.418 -10.985 -5.320 336 1HG2 VAL 51 1HG2 VAL 51 1.032 -10.673 -1.091 337 2HG2 VAL 51 2HG2 VAL 51 2.105 -9.995 -2.313 338 3HG2 VAL 51 3HG2 VAL 51 0.512 -9.261 -2.067 339 H SER 52 H SER 52 -2.406 -9.379 -2.469 340 HA SER 52 HA SER 52 -3.024 -8.104 -0.779 341 1HB SER 52 1HB SER 52 -3.484 -10.733 0.653 342 2HB SER 52 2HB SER 52 -4.217 -9.162 1.038 343 HG SER 52 HG SER 52 -5.013 -9.205 -1.224 344 H ALA 53 H ALA 53 -0.590 -7.800 -1.026 345 HA ALA 53 HA ALA 53 1.063 -8.168 1.371 346 1HB ALA 53 1HB ALA 53 1.299 -6.304 -1.042 347 2HB ALA 53 2HB ALA 53 2.548 -6.570 0.189 348 3HB ALA 53 3HB ALA 53 2.073 -7.891 -0.896 349 H ILE 54 H ILE 54 -1.366 -6.036 0.136 350 HA ILE 54 HA ILE 54 -0.904 -3.754 1.840 351 HB ILE 54 HB ILE 54 -3.301 -4.679 0.219 352 1HG1 ILE 54 1HG1 ILE 54 -1.200 -2.607 -0.497 353 2HG1 ILE 54 2HG1 ILE 54 -1.177 -4.254 -1.123 354 1HG2 ILE 54 1HG2 ILE 54 -2.640 -1.989 1.503 355 2HG2 ILE 54 2HG2 ILE 54 -4.026 -2.280 0.429 356 3HG2 ILE 54 3HG2 ILE 54 -3.932 -3.122 1.970 357 1HD1 ILE 54 1HD1 ILE 54 -3.392 -2.253 -1.663 358 2HD1 ILE 54 2HD1 ILE 54 -2.120 -2.767 -2.774 359 3HD1 ILE 54 3HD1 ILE 54 -3.322 -3.937 -2.217 360 H TYR 55 H TYR 55 -1.291 -3.842 4.023 361 HA TYR 55 HA TYR 55 -3.491 -5.586 5.052 362 1HB TYR 55 1HB TYR 55 -0.750 -4.954 6.177 363 2HB TYR 55 2HB TYR 55 -2.028 -5.681 7.123 364 HD1 TYR 55 HD1 TYR 55 -3.139 -7.864 5.873 365 HD2 TYR 55 HD2 TYR 55 0.874 -6.396 5.291 366 HE1 TYR 55 HE1 TYR 55 -2.506 -10.001 4.794 367 HE2 TYR 55 HE2 TYR 55 1.506 -8.545 4.245 368 HH TYR 55 HH TYR 55 -0.700 -10.378 2.843 369 H HIS 56 H HIS 56 -4.229 -4.712 7.193 370 HA HIS 56 HA HIS 56 -4.616 -1.820 7.003 371 1HB HIS 56 1HB HIS 56 -6.014 -3.938 8.219 372 2HB HIS 56 2HB HIS 56 -5.290 -3.115 9.570 373 HD1 HIS 56 HD1 HIS 56 -8.184 -2.897 7.233 374 HD2 HIS 56 HD2 HIS 56 -5.739 -0.257 9.377 375 HE1 HIS 56 HE1 HIS 56 -9.404 -0.659 7.268 376 H GLU 57 H GLU 57 -3.652 -0.204 8.313 377 HA GLU 57 HA GLU 57 -1.035 -0.629 8.904 378 1HB GLU 57 1HB GLU 57 -2.605 1.540 8.802 379 2HB GLU 57 2HB GLU 57 -2.746 1.336 10.554 380 1HG GLU 57 1HG GLU 57 0.004 1.147 9.521 381 2HG GLU 57 2HG GLU 57 -0.790 2.647 9.080 382 H ASP 58 H ASP 58 -3.788 -1.091 11.122 383 HA ASP 58 HA ASP 58 -2.171 -1.545 13.455 384 1HB ASP 58 1HB ASP 58 -4.354 -2.238 14.378 385 2HB ASP 58 2HB ASP 58 -4.441 -0.653 13.601 386 H PHE 59 H PHE 59 -2.839 -3.488 10.668 387 HA PHE 59 HA PHE 59 -2.611 -6.065 12.133 388 1HB PHE 59 1HB PHE 59 -2.931 -5.237 9.227 389 2HB PHE 59 2HB PHE 59 -2.276 -6.781 9.667 390 HD1 PHE 59 HD1 PHE 59 -5.014 -5.222 11.686 391 HD2 PHE 59 HD2 PHE 59 -4.008 -7.966 8.497 392 HE1 PHE 59 HE1 PHE 59 -7.286 -6.129 11.750 393 HE2 PHE 59 HE2 PHE 59 -6.313 -8.863 8.557 394 HZ PHE 59 HZ PHE 59 -7.960 -7.961 10.191 395 H VAL 60 H VAL 60 -0.737 -3.744 10.183 396 HA VAL 60 HA VAL 60 1.330 -5.490 9.519 397 HB VAL 60 HB VAL 60 1.246 -2.469 9.644 398 1HG1 VAL 60 1HG1 VAL 60 3.443 -4.369 8.741 399 2HG1 VAL 60 2HG1 VAL 60 3.316 -2.706 8.162 400 3HG1 VAL 60 3HG1 VAL 60 3.577 -3.008 9.879 401 1HG2 VAL 60 1HG2 VAL 60 -0.220 -3.756 8.038 402 2HG2 VAL 60 2HG2 VAL 60 0.978 -2.785 7.212 403 3HG2 VAL 60 3HG2 VAL 60 1.229 -4.528 7.385 404 HA PRO 61 HA PRO 61 3.333 -6.022 13.534 405 1HB PRO 61 1HB PRO 61 5.569 -6.919 11.704 406 2HB PRO 61 2HB PRO 61 4.992 -7.687 13.208 407 1HG PRO 61 1HG PRO 61 4.252 -8.699 10.807 408 2HG PRO 61 2HG PRO 61 3.031 -8.518 12.106 409 1HD PRO 61 1HD PRO 61 3.525 -6.687 9.749 410 2HD PRO 61 2HD PRO 61 1.989 -7.320 10.416 411 H GLU 62 H GLU 62 5.052 -5.003 14.680 412 HA GLU 62 HA GLU 62 5.549 -2.329 14.012 413 1HB GLU 62 1HB GLU 62 5.595 -3.588 16.286 414 2HB GLU 62 2HB GLU 62 7.264 -4.005 15.879 415 1HG GLU 62 1HG GLU 62 7.200 -2.017 17.303 416 2HG GLU 62 2HG GLU 62 7.747 -1.531 15.689 417 H GLU 63 H GLU 63 7.578 -5.227 13.609 418 HA GLU 63 HA GLU 63 9.967 -4.267 12.613 419 1HB GLU 63 1HB GLU 63 8.362 -6.563 11.432 420 2HB GLU 63 2HB GLU 63 10.104 -6.310 11.345 421 1HG GLU 63 1HG GLU 63 10.069 -7.811 13.052 422 2HG GLU 63 2HG GLU 63 9.885 -6.358 14.035 423 H TRP 64 H TRP 64 6.868 -4.596 10.883 424 HA TRP 64 HA TRP 64 8.025 -3.431 8.394 425 1HB TRP 64 1HB TRP 64 5.592 -5.105 9.010 426 2HB TRP 64 2HB TRP 64 5.801 -4.264 7.473 427 HD1 TRP 64 HD1 TRP 64 9.160 -5.261 7.876 428 HE1 TRP 64 HE1 TRP 64 9.662 -7.396 6.567 429 HE3 TRP 64 HE3 TRP 64 4.375 -7.058 7.305 430 HZ2 TRP 64 HZ2 TRP 64 8.254 -9.633 5.541 431 HZ3 TRP 64 HZ3 TRP 64 4.001 -9.138 6.016 432 HH2 TRP 64 HH2 TRP 64 5.950 -10.346 5.000 433 H LYS 65 H LYS 65 6.226 -2.359 11.190 434 HA LYS 65 HA LYS 65 4.694 -0.424 9.888 435 1HB LYS 65 1HB LYS 65 5.915 -0.722 12.646 436 2HB LYS 65 2HB LYS 65 5.178 0.728 12.163 437 1HG LYS 65 1HG LYS 65 3.097 -0.710 11.447 438 2HG LYS 65 2HG LYS 65 3.848 -1.941 12.483 439 1HD LYS 65 1HD LYS 65 3.989 -0.162 14.300 440 2HD LYS 65 2HD LYS 65 3.047 0.914 13.273 441 1HE LYS 65 1HE LYS 65 2.145 -1.816 14.328 442 2HE LYS 65 2HE LYS 65 1.715 -0.245 15.015 443 1HZ LYS 65 1HZ LYS 65 0.627 0.295 12.856 444 2HZ LYS 65 2HZ LYS 65 0.862 -1.240 12.346 445 3HZ LYS 65 3HZ LYS 65 -0.045 -0.954 13.645 446 H SER 66 H SER 66 8.130 -0.806 10.112 447 HA SER 66 HA SER 66 9.095 1.824 9.807 448 1HB SER 66 1HB SER 66 10.807 0.571 8.334 449 2HB SER 66 2HB SER 66 10.608 -0.044 9.988 450 HG SER 66 HG SER 66 9.925 -1.875 9.174 451 H TYR 67 H TYR 67 7.655 -0.453 7.404 452 HA TYR 67 HA TYR 67 7.802 1.406 5.196 453 1HB TYR 67 1HB TYR 67 5.915 -0.924 5.677 454 2HB TYR 67 2HB TYR 67 5.950 0.075 4.233 455 HD1 TYR 67 HD1 TYR 67 8.049 0.118 2.792 456 HD2 TYR 67 HD2 TYR 67 7.501 -2.748 5.971 457 HE1 TYR 67 HE1 TYR 67 9.820 -1.314 1.815 458 HE2 TYR 67 HE2 TYR 67 9.280 -4.169 4.990 459 HH TYR 67 HH TYR 67 10.794 -4.443 3.243 460 H ILE 68 H ILE 68 5.368 0.910 7.823 461 HA ILE 68 HA ILE 68 3.310 2.437 6.507 462 HB ILE 68 HB ILE 68 3.897 1.430 9.278 463 1HG1 ILE 68 1HG1 ILE 68 2.034 0.066 9.003 464 2HG1 ILE 68 2HG1 ILE 68 1.357 1.060 7.706 465 1HG2 ILE 68 1HG2 ILE 68 3.059 3.616 9.742 466 2HG2 ILE 68 2HG2 ILE 68 1.637 3.312 8.703 467 3HG2 ILE 68 3HG2 ILE 68 1.933 2.353 10.186 468 1HD1 ILE 68 1HD1 ILE 68 3.812 -0.697 7.430 469 2HD1 ILE 68 2HD1 ILE 68 2.162 -1.070 6.883 470 3HD1 ILE 68 3HD1 ILE 68 3.046 0.234 6.124 471 H GLN 69 H GLN 69 5.879 3.172 8.860 472 HA GLN 69 HA GLN 69 5.378 5.928 9.032 473 1HB GLN 69 1HB GLN 69 6.960 4.512 10.455 474 2HB GLN 69 2HB GLN 69 8.119 4.579 9.123 475 1HG GLN 69 1HG GLN 69 8.634 6.284 10.794 476 2HG GLN 69 2HG GLN 69 8.160 7.048 9.271 477 1HE2 GLN 69 2HE2 GLN 69 7.397 9.026 10.161 478 2HE2 GLN 69 1HE2 GLN 69 6.014 9.085 11.239 479 H LYS 70 H LYS 70 7.365 4.066 6.660 480 HA LYS 70 HA LYS 70 8.250 6.377 5.300 481 1HB LYS 70 1HB LYS 70 9.209 3.995 5.098 482 2HB LYS 70 2HB LYS 70 7.813 3.615 4.109 483 1HG LYS 70 1HG LYS 70 9.672 4.071 2.645 484 2HG LYS 70 2HG LYS 70 8.440 5.286 2.460 485 1HD LYS 70 1HD LYS 70 10.201 6.408 4.420 486 2HD LYS 70 2HD LYS 70 11.248 5.510 3.344 487 1HE LYS 70 1HE LYS 70 11.088 7.761 2.492 488 2HE LYS 70 2HE LYS 70 10.235 6.689 1.380 489 1HZ LYS 70 1HZ LYS 70 8.160 7.458 2.763 490 2HZ LYS 70 2HZ LYS 70 9.147 8.682 3.243 491 3HZ LYS 70 3HZ LYS 70 8.833 8.468 1.657 492 H ASN 71 H ASN 71 5.523 4.275 4.638 493 HA ASN 71 HA ASN 71 4.329 5.616 2.422 494 1HB ASN 71 1HB ASN 71 3.220 3.948 4.643 495 2HB ASN 71 2HB ASN 71 2.144 4.735 3.505 496 1HD2 ASN 71 2HD2 ASN 71 4.759 2.332 3.739 497 2HD2 ASN 71 1HD2 ASN 71 4.331 1.499 2.256 498 H ARG 72 H ARG 72 4.158 6.305 5.917 499 HA ARG 72 HA ARG 72 2.055 8.258 5.799 500 1HB ARG 72 1HB ARG 72 2.997 6.959 7.740 501 2HB ARG 72 2HB ARG 72 4.260 8.164 7.856 502 1HG ARG 72 1HG ARG 72 2.856 9.802 8.605 503 2HG ARG 72 2HG ARG 72 1.464 9.267 7.653 504 1HD ARG 72 1HD ARG 72 2.600 7.717 9.982 505 2HD ARG 72 2HD ARG 72 1.246 8.874 10.126 506 HE ARG 72 HE ARG 72 0.402 7.244 8.126 507 1HH1 ARG 72 1HH1 ARG 72 1.600 6.385 11.422 508 2HH1 ARG 72 2HH1 ARG 72 0.515 4.983 11.471 509 1HH2 ARG 72 1HH2 ARG 72 -1.060 5.394 8.467 510 2HH2 ARG 72 2HH2 ARG 72 -0.852 4.510 9.981 511 H ASP 73 H ASP 73 5.563 8.384 6.147 512 HA ASP 73 HA ASP 73 6.003 11.121 6.053 513 1HB ASP 73 1HB ASP 73 7.650 9.465 6.824 514 2HB ASP 73 2HB ASP 73 7.623 8.635 5.281 515 H PHE 74 H PHE 74 6.075 8.806 3.372 516 HA PHE 74 HA PHE 74 7.298 10.053 1.356 517 1HB PHE 74 1HB PHE 74 5.119 8.169 1.453 518 2HB PHE 74 2HB PHE 74 5.000 9.258 0.083 519 HD1 PHE 74 HD1 PHE 74 6.930 9.629 -1.486 520 HD2 PHE 74 HD2 PHE 74 6.561 6.244 1.146 521 HE1 PHE 74 HE1 PHE 74 8.603 8.385 -2.826 522 HE2 PHE 74 HE2 PHE 74 8.422 5.114 -0.067 523 HZ PHE 74 HZ PHE 74 9.492 6.214 -2.000 524 H PHE 75 H PHE 75 3.914 10.797 2.115 525 HA PHE 75 HA PHE 75 3.979 13.097 0.241 526 1HB PHE 75 1HB PHE 75 1.564 11.926 1.511 527 2HB PHE 75 2HB PHE 75 1.698 12.747 -0.028 528 HD1 PHE 75 HD1 PHE 75 3.105 11.514 -1.890 529 HD2 PHE 75 HD2 PHE 75 1.658 9.545 1.666 530 HE1 PHE 75 HE1 PHE 75 3.612 9.304 -2.894 531 HE2 PHE 75 HE2 PHE 75 2.093 7.347 0.631 532 HZ PHE 75 HZ PHE 75 3.099 7.220 -1.638 533 H LYS 76 H LYS 76 4.572 12.762 3.511 534 HA LYS 76 HA LYS 76 2.717 14.952 4.383 535 1HB LYS 76 1HB LYS 76 3.988 12.561 5.680 536 2HB LYS 76 2HB LYS 76 3.745 13.992 6.666 537 1HG LYS 76 1HG LYS 76 1.837 12.429 6.799 538 2HG LYS 76 2HG LYS 76 1.423 14.071 6.293 539 1HD LYS 76 1HD LYS 76 1.314 13.263 3.892 540 2HD LYS 76 2HD LYS 76 1.568 11.610 4.474 541 1HE LYS 76 1HE LYS 76 -0.452 11.870 5.895 542 2HE LYS 76 2HE LYS 76 -0.676 13.502 5.241 543 1HZ LYS 76 1HZ LYS 76 -0.648 12.021 2.948 544 2HZ LYS 76 2HZ LYS 76 -1.233 10.960 3.949 545 3HZ LYS 76 3HZ LYS 76 -2.012 12.355 3.851 546 H LYS 77 H LYS 77 5.937 14.673 3.321 547 HA LYS 77 HA LYS 77 6.446 17.321 4.198 548 1HB LYS 77 1HB LYS 77 8.667 16.798 5.073 549 2HB LYS 77 2HB LYS 77 7.395 16.127 6.093 550 1HG LYS 77 1HG LYS 77 9.019 14.457 6.069 551 2HG LYS 77 2HG LYS 77 7.819 13.869 4.955 552 1HD LYS 77 1HD LYS 77 9.709 15.447 3.408 553 2HD LYS 77 2HD LYS 77 10.659 14.584 4.587 554 1HE LYS 77 1HE LYS 77 10.449 13.429 2.393 555 2HE LYS 77 2HE LYS 77 9.956 12.443 3.766 556 1HZ LYS 77 1HZ LYS 77 8.039 13.938 2.076 557 2HZ LYS 77 2HZ LYS 77 8.425 12.373 1.799 558 3HZ LYS 77 3HZ LYS 77 7.677 12.796 3.184 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -7.265 1.654 7.755 2 2H ALA 1 2H ALA 1 -7.527 3.061 8.259 3 3H ALA 1 3H ALA 1 -8.419 2.459 7.188 4 HA ALA 1 HA ALA 1 -6.952 3.121 5.400 5 1HB ALA 1 1HB ALA 1 -5.548 4.234 7.839 6 2HB ALA 1 2HB ALA 1 -4.751 4.270 6.251 7 3HB ALA 1 3HB ALA 1 -6.316 5.077 6.474 8 H TYR 2 H TYR 2 -5.162 2.132 4.229 9 HA TYR 2 HA TYR 2 -4.042 -0.243 5.656 10 1HB TYR 2 1HB TYR 2 -4.692 -0.125 2.696 11 2HB TYR 2 2HB TYR 2 -4.307 -1.525 3.688 12 HD1 TYR 2 HD1 TYR 2 -6.893 1.041 2.937 13 HD2 TYR 2 HD2 TYR 2 -6.076 -2.792 4.736 14 HE1 TYR 2 HE1 TYR 2 -9.305 0.570 3.014 15 HE2 TYR 2 HE2 TYR 2 -8.510 -3.285 4.759 16 HH TYR 2 HH TYR 2 -10.848 -1.129 3.172 17 H VAL 3 H VAL 3 -2.042 -0.938 5.027 18 HA VAL 3 HA VAL 3 -0.419 0.903 3.327 19 HB VAL 3 HB VAL 3 0.195 -0.070 6.141 20 1HG1 VAL 3 1HG1 VAL 3 2.028 0.884 3.939 21 2HG1 VAL 3 2HG1 VAL 3 2.448 1.148 5.625 22 3HG1 VAL 3 3HG1 VAL 3 2.241 -0.506 5.026 23 1HG2 VAL 3 1HG2 VAL 3 0.196 2.674 4.785 24 2HG2 VAL 3 2HG2 VAL 3 -1.046 2.059 5.892 25 3HG2 VAL 3 3HG2 VAL 3 0.588 2.364 6.489 26 H ILE 4 H ILE 4 1.077 0.051 2.143 27 HA ILE 4 HA ILE 4 1.252 -2.862 1.661 28 HB ILE 4 HB ILE 4 0.937 -1.770 -0.341 29 1HG1 ILE 4 1HG1 ILE 4 3.030 -3.215 -0.235 30 2HG1 ILE 4 2HG1 ILE 4 2.707 -2.207 -1.640 31 1HG2 ILE 4 1HG2 ILE 4 2.735 0.509 0.502 32 2HG2 ILE 4 2HG2 ILE 4 2.059 0.238 -1.125 33 3HG2 ILE 4 3HG2 ILE 4 0.974 0.516 0.226 34 1HD1 ILE 4 1HD1 ILE 4 4.531 -1.027 0.459 35 2HD1 ILE 4 2HD1 ILE 4 5.129 -2.283 -0.628 36 3HD1 ILE 4 3HD1 ILE 4 4.452 -0.781 -1.281 37 H THR 5 H THR 5 3.133 -3.969 2.052 38 HA THR 5 HA THR 5 5.048 -2.588 3.869 39 HB THR 5 HB THR 5 5.250 -4.905 4.815 40 HG1 THR 5 HG1 THR 5 2.800 -5.523 3.524 41 1HG2 THR 5 1HG2 THR 5 3.829 -3.119 5.792 42 2HG2 THR 5 2HG2 THR 5 2.441 -3.711 4.852 43 3HG2 THR 5 3HG2 THR 5 3.195 -4.759 6.076 44 H GLU 6 H GLU 6 5.411 -5.779 2.561 45 HA GLU 6 HA GLU 6 8.026 -4.970 1.307 46 1HB GLU 6 1HB GLU 6 8.391 -5.349 3.537 47 2HB GLU 6 2HB GLU 6 7.569 -6.887 3.584 48 1HG GLU 6 1HG GLU 6 9.311 -7.927 2.324 49 2HG GLU 6 2HG GLU 6 9.994 -6.376 1.871 50 HA PRO 7 HA PRO 7 7.182 -9.254 -0.547 51 1HB PRO 7 1HB PRO 7 4.193 -9.520 -0.260 52 2HB PRO 7 2HB PRO 7 5.434 -10.801 -0.269 53 1HG PRO 7 1HG PRO 7 4.362 -10.003 2.091 54 2HG PRO 7 2HG PRO 7 6.135 -10.229 1.950 55 1HD PRO 7 1HD PRO 7 4.576 -7.633 1.740 56 2HD PRO 7 2HD PRO 7 5.995 -8.000 2.743 57 H CYS 8 H CYS 8 4.912 -6.587 -0.828 58 HA CYS 8 HA CYS 8 4.115 -6.801 -3.524 59 1HB CYS 8 1HB CYS 8 3.087 -5.137 -2.154 60 2HB CYS 8 2HB CYS 8 4.657 -4.556 -1.606 61 H ILE 9 H ILE 9 7.236 -5.768 -2.091 62 HA ILE 9 HA ILE 9 7.912 -4.230 -4.401 63 HB ILE 9 HB ILE 9 9.595 -4.924 -2.024 64 1HG1 ILE 9 1HG1 ILE 9 9.135 -2.139 -2.283 65 2HG1 ILE 9 2HG1 ILE 9 7.623 -2.820 -2.812 66 1HG2 ILE 9 1HG2 ILE 9 10.197 -3.140 -4.432 67 2HG2 ILE 9 2HG2 ILE 9 11.117 -3.157 -2.914 68 3HG2 ILE 9 3HG2 ILE 9 11.103 -4.588 -3.940 69 1HD1 ILE 9 1HD1 ILE 9 8.838 -3.497 -0.184 70 2HD1 ILE 9 2HD1 ILE 9 7.540 -2.316 -0.512 71 3HD1 ILE 9 3HD1 ILE 9 7.260 -4.028 -0.873 72 H GLY 10 H GLY 10 7.877 -5.190 -6.252 73 1HA GLY 10 1HA GLY 10 10.162 -6.735 -7.063 74 2HA GLY 10 2HA GLY 10 8.532 -7.372 -7.453 75 H THR 11 H THR 11 9.404 -6.708 -9.698 76 HA THR 11 HA THR 11 9.934 -4.038 -10.446 77 HB THR 11 HB THR 11 9.416 -5.377 -12.726 78 HG1 THR 11 HG1 THR 11 8.454 -7.112 -11.690 79 1HG2 THR 11 1HG2 THR 11 11.765 -5.986 -10.885 80 2HG2 THR 11 2HG2 THR 11 11.703 -6.320 -12.632 81 3HG2 THR 11 3HG2 THR 11 11.654 -4.644 -12.049 82 H LYS 12 H LYS 12 8.356 -2.530 -10.229 83 HA LYS 12 HA LYS 12 6.589 -1.282 -10.636 84 1HB LYS 12 1HB LYS 12 6.959 -2.895 -13.136 85 2HB LYS 12 2HB LYS 12 5.474 -1.952 -13.036 86 1HG LYS 12 1HG LYS 12 8.130 -0.677 -12.335 87 2HG LYS 12 2HG LYS 12 7.625 -0.836 -14.025 88 1HD LYS 12 1HD LYS 12 5.619 0.406 -13.718 89 2HD LYS 12 2HD LYS 12 5.731 0.385 -11.962 90 1HE LYS 12 1HE LYS 12 7.754 1.822 -13.755 91 2HE LYS 12 2HE LYS 12 6.308 2.564 -13.051 92 1HZ LYS 12 1HZ LYS 12 7.232 1.735 -10.856 93 2HZ LYS 12 2HZ LYS 12 8.676 1.605 -11.578 94 3HZ LYS 12 3HZ LYS 12 7.835 3.070 -11.525 95 H CYS 13 H CYS 13 5.379 -4.467 -11.638 96 HA CYS 13 HA CYS 13 3.490 -5.591 -11.285 97 1HB CYS 13 1HB CYS 13 4.083 -5.593 -9.010 98 2HB CYS 13 2HB CYS 13 3.428 -3.983 -8.802 99 H ALA 14 H ALA 14 2.057 -2.775 -9.792 100 HA ALA 14 HA ALA 14 0.484 -1.232 -10.564 101 1HB ALA 14 1HB ALA 14 0.961 -1.663 -12.991 102 2HB ALA 14 2HB ALA 14 -0.203 -3.012 -12.935 103 3HB ALA 14 3HB ALA 14 -0.737 -1.362 -12.614 104 H SER 15 H SER 15 -2.100 -2.613 -11.658 105 HA SER 15 HA SER 15 -3.790 -3.904 -11.071 106 1HB SER 15 1HB SER 15 -2.233 -5.073 -8.741 107 2HB SER 15 2HB SER 15 -3.753 -5.642 -9.427 108 HG SER 15 HG SER 15 -1.297 -5.461 -10.848 109 H CYS 16 H CYS 16 -2.107 -2.684 -8.163 110 HA CYS 16 HA CYS 16 -4.573 -1.922 -6.828 111 1HB CYS 16 1HB CYS 16 -2.974 -0.881 -5.179 112 2HB CYS 16 2HB CYS 16 -2.830 -2.623 -5.459 113 H VAL 17 H VAL 17 -2.486 -0.336 -9.157 114 HA VAL 17 HA VAL 17 -3.314 2.347 -8.385 115 HB VAL 17 HB VAL 17 -1.133 2.076 -9.250 116 1HG1 VAL 17 1HG1 VAL 17 -1.413 0.224 -10.834 117 2HG1 VAL 17 2HG1 VAL 17 -2.324 1.290 -11.934 118 3HG1 VAL 17 3HG1 VAL 17 -0.619 1.612 -11.580 119 1HG2 VAL 17 1HG2 VAL 17 -2.317 4.229 -9.603 120 2HG2 VAL 17 2HG2 VAL 17 -1.098 3.907 -10.841 121 3HG2 VAL 17 3HG2 VAL 17 -2.818 3.680 -11.215 122 H GLU 18 H GLU 18 -4.247 0.226 -11.087 123 HA GLU 18 HA GLU 18 -5.978 2.230 -12.169 124 1HB GLU 18 1HB GLU 18 -6.602 0.453 -13.751 125 2HB GLU 18 2HB GLU 18 -4.867 0.750 -13.606 126 1HG GLU 18 1HG GLU 18 -6.014 -1.388 -11.860 127 2HG GLU 18 2HG GLU 18 -5.945 -1.715 -13.596 128 H VAL 19 H VAL 19 -6.638 1.190 -9.337 129 HA VAL 19 HA VAL 19 -9.560 0.823 -9.814 130 HB VAL 19 HB VAL 19 -9.644 -0.739 -7.948 131 1HG1 VAL 19 1HG1 VAL 19 -9.071 -1.352 -10.559 132 2HG1 VAL 19 2HG1 VAL 19 -7.768 -2.204 -9.715 133 3HG1 VAL 19 3HG1 VAL 19 -9.460 -2.527 -9.299 134 1HG2 VAL 19 1HG2 VAL 19 -7.531 -0.133 -6.778 135 2HG2 VAL 19 2HG2 VAL 19 -7.652 -1.869 -7.092 136 3HG2 VAL 19 3HG2 VAL 19 -6.610 -0.861 -8.108 137 H CYS 20 H CYS 20 -7.084 2.550 -7.952 138 HA CYS 20 HA CYS 20 -8.684 2.817 -5.661 139 1HB CYS 20 1HB CYS 20 -6.268 3.219 -5.717 140 2HB CYS 20 2HB CYS 20 -6.626 4.698 -6.636 141 HA PRO 21 HA PRO 21 -11.996 5.441 -7.154 142 1HB PRO 21 1HB PRO 21 -11.763 6.572 -4.346 143 2HB PRO 21 2HB PRO 21 -13.244 6.149 -5.251 144 1HG PRO 21 1HG PRO 21 -12.248 4.434 -3.390 145 2HG PRO 21 2HG PRO 21 -12.810 3.806 -4.967 146 1HD PRO 21 1HD PRO 21 -9.951 4.332 -4.103 147 2HD PRO 21 2HD PRO 21 -10.669 2.964 -5.017 148 H VAL 22 H VAL 22 -9.374 6.945 -5.235 149 HA VAL 22 HA VAL 22 -9.015 9.016 -7.236 150 HB VAL 22 HB VAL 22 -10.655 10.137 -5.904 151 1HG1 VAL 22 1HG1 VAL 22 -10.577 8.849 -3.791 152 2HG1 VAL 22 2HG1 VAL 22 -9.031 9.619 -3.373 153 3HG1 VAL 22 3HG1 VAL 22 -10.491 10.593 -3.526 154 1HG2 VAL 22 1HG2 VAL 22 -8.688 11.435 -6.669 155 2HG2 VAL 22 2HG2 VAL 22 -9.418 12.101 -5.198 156 3HG2 VAL 22 3HG2 VAL 22 -7.910 11.174 -5.092 157 H ASP 23 H ASP 23 -6.957 8.507 -7.631 158 HA ASP 23 HA ASP 23 -5.164 7.006 -6.610 159 1HB ASP 23 1HB ASP 23 -4.710 8.421 -8.531 160 2HB ASP 23 2HB ASP 23 -4.559 9.834 -7.436 161 H CYS 24 H CYS 24 -4.314 6.553 -4.760 162 HA CYS 24 HA CYS 24 -3.048 8.662 -3.081 163 1HB CYS 24 1HB CYS 24 -4.371 6.161 -2.013 164 2HB CYS 24 2HB CYS 24 -3.669 7.503 -1.058 165 HG CYS 24 HG CYS 24 -6.158 7.738 -3.117 166 H ILE 25 H ILE 25 -2.257 6.592 -5.318 167 HA ILE 25 HA ILE 25 -0.512 4.835 -3.670 168 HB ILE 25 HB ILE 25 -0.878 2.974 -4.913 169 1HG1 ILE 25 1HG1 ILE 25 -1.416 3.832 -7.173 170 2HG1 ILE 25 2HG1 ILE 25 -2.430 2.547 -6.539 171 1HG2 ILE 25 1HG2 ILE 25 -2.361 3.492 -3.016 172 2HG2 ILE 25 2HG2 ILE 25 -3.653 3.884 -4.138 173 3HG2 ILE 25 3HG2 ILE 25 -2.977 2.241 -4.125 174 1HD1 ILE 25 1HD1 ILE 25 -3.671 5.143 -5.970 175 2HD1 ILE 25 2HD1 ILE 25 -3.324 4.975 -7.684 176 3HD1 ILE 25 3HD1 ILE 25 -4.304 3.759 -6.852 177 H HIS 26 H HIS 26 1.430 5.467 -3.964 178 HA HIS 26 HA HIS 26 2.183 6.902 -6.472 179 1HB HIS 26 1HB HIS 26 3.114 6.912 -3.581 180 2HB HIS 26 2HB HIS 26 3.747 7.989 -4.835 181 HD1 HIS 26 HD1 HIS 26 1.343 9.293 -6.150 182 HD2 HIS 26 HD2 HIS 26 0.988 7.735 -2.267 183 HE1 HIS 26 HE1 HIS 26 -0.804 10.238 -5.177 184 H GLU 27 H GLU 27 4.174 6.573 -7.503 185 HA GLU 27 HA GLU 27 5.668 4.104 -6.844 186 1HB GLU 27 1HB GLU 27 6.069 6.255 -8.858 187 2HB GLU 27 2HB GLU 27 7.205 4.908 -8.649 188 1HG GLU 27 1HG GLU 27 5.510 3.243 -9.059 189 2HG GLU 27 2HG GLU 27 4.265 4.470 -9.208 190 H GLY 28 H GLY 28 5.903 4.791 -4.758 191 1HA GLY 28 1HA GLY 28 7.539 6.904 -3.774 192 2HA GLY 28 2HA GLY 28 7.307 5.344 -2.957 193 H GLU 29 H GLU 29 8.348 3.619 -4.876 194 HA GLU 29 HA GLU 29 11.224 4.384 -5.215 195 1HB GLU 29 1HB GLU 29 10.040 1.812 -4.089 196 2HB GLU 29 2HB GLU 29 11.707 1.942 -4.659 197 1HG GLU 29 1HG GLU 29 12.323 3.410 -2.928 198 2HG GLU 29 2HG GLU 29 10.666 3.939 -2.635 199 H ASP 30 H ASP 30 9.286 1.546 -5.988 200 HA ASP 30 HA ASP 30 9.322 2.258 -8.903 201 1HB ASP 30 1HB ASP 30 11.162 0.645 -8.459 202 2HB ASP 30 2HB ASP 30 9.989 -0.490 -7.772 203 H GLN 31 H GLN 31 7.768 0.447 -6.310 204 HA GLN 31 HA GLN 31 5.427 -0.268 -7.976 205 1HB GLN 31 1HB GLN 31 5.000 -1.604 -5.683 206 2HB GLN 31 2HB GLN 31 6.043 -2.250 -6.962 207 1HG GLN 31 1HG GLN 31 6.756 -2.453 -4.644 208 2HG GLN 31 2HG GLN 31 7.988 -1.683 -5.657 209 1HE2 GLN 31 2HE2 GLN 31 5.477 -1.144 -3.219 210 2HE2 GLN 31 1HE2 GLN 31 6.081 0.391 -2.623 211 H TYR 32 H TYR 32 3.393 -0.158 -6.622 212 HA TYR 32 HA TYR 32 3.110 2.633 -5.983 213 1HB TYR 32 1HB TYR 32 1.129 0.378 -6.142 214 2HB TYR 32 2HB TYR 32 0.722 2.077 -5.925 215 HD1 TYR 32 HD1 TYR 32 1.243 3.771 -7.674 216 HD2 TYR 32 HD2 TYR 32 1.923 -0.430 -8.348 217 HE1 TYR 32 HE1 TYR 32 1.893 4.252 -10.009 218 HE2 TYR 32 HE2 TYR 32 2.665 0.068 -10.652 219 HH TYR 32 HH TYR 32 3.424 3.261 -11.700 220 H TYR 33 H TYR 33 3.041 3.550 -4.106 221 HA TYR 33 HA TYR 33 3.138 2.115 -1.520 222 1HB TYR 33 1HB TYR 33 4.528 4.443 -2.742 223 2HB TYR 33 2HB TYR 33 3.900 4.775 -1.176 224 HD1 TYR 33 HD1 TYR 33 4.643 3.412 0.779 225 HD2 TYR 33 HD2 TYR 33 6.383 2.890 -3.118 226 HE1 TYR 33 HE1 TYR 33 6.515 2.135 1.790 227 HE2 TYR 33 HE2 TYR 33 8.340 1.770 -2.089 228 HH TYR 33 HH TYR 33 9.482 1.605 0.041 229 H ILE 34 H ILE 34 1.141 2.383 -0.362 230 HA ILE 34 HA ILE 34 -0.842 4.192 -1.417 231 HB ILE 34 HB ILE 34 -0.856 2.187 0.858 232 1HG1 ILE 34 1HG1 ILE 34 -2.563 1.912 -1.635 233 2HG1 ILE 34 2HG1 ILE 34 -0.880 1.412 -1.705 234 1HG2 ILE 34 1HG2 ILE 34 -3.100 3.970 -0.153 235 2HG2 ILE 34 2HG2 ILE 34 -3.406 2.491 0.779 236 3HG2 ILE 34 3HG2 ILE 34 -2.509 3.815 1.508 237 1HD1 ILE 34 1HD1 ILE 34 -2.153 0.332 0.700 238 2HD1 ILE 34 2HD1 ILE 34 -3.099 -0.027 -0.755 239 3HD1 ILE 34 3HD1 ILE 34 -1.393 -0.489 -0.681 240 H ASP 35 H ASP 35 -1.279 6.277 -0.495 241 HA ASP 35 HA ASP 35 0.126 7.041 1.958 242 1HB ASP 35 1HB ASP 35 -0.488 8.759 0.154 243 2HB ASP 35 2HB ASP 35 -2.158 8.597 0.750 244 HA PRO 36 HA PRO 36 -3.361 4.943 4.039 245 1HB PRO 36 1HB PRO 36 -2.608 5.360 6.637 246 2HB PRO 36 2HB PRO 36 -1.867 4.115 5.596 247 1HG PRO 36 1HG PRO 36 -0.831 6.893 6.228 248 2HG PRO 36 2HG PRO 36 0.091 5.359 6.236 249 1HD PRO 36 1HD PRO 36 0.122 7.115 4.152 250 2HD PRO 36 2HD PRO 36 0.163 5.343 3.877 251 H ASP 37 H ASP 37 -2.219 8.262 4.515 252 HA ASP 37 HA ASP 37 -4.485 8.979 6.238 253 1HB ASP 37 1HB ASP 37 -2.279 10.711 5.123 254 2HB ASP 37 2HB ASP 37 -3.379 11.086 6.456 255 H VAL 38 H VAL 38 -3.449 9.193 2.812 256 HA VAL 38 HA VAL 38 -5.814 10.903 2.242 257 HB VAL 38 HB VAL 38 -3.861 9.782 0.232 258 1HG1 VAL 38 1HG1 VAL 38 -6.069 10.519 -0.699 259 2HG1 VAL 38 2HG1 VAL 38 -5.864 12.082 0.102 260 3HG1 VAL 38 3HG1 VAL 38 -4.748 11.582 -1.184 261 1HG2 VAL 38 1HG2 VAL 38 -3.965 12.493 1.652 262 2HG2 VAL 38 2HG2 VAL 38 -2.686 11.289 1.846 263 3HG2 VAL 38 3HG2 VAL 38 -2.902 12.090 0.287 264 H CYS 39 H CYS 39 -4.868 7.433 1.996 265 HA CYS 39 HA CYS 39 -6.952 6.537 0.371 266 1HB CYS 39 1HB CYS 39 -5.258 5.016 1.048 267 2HB CYS 39 2HB CYS 39 -5.637 5.255 2.752 268 H ILE 40 H ILE 40 -9.084 6.679 0.487 269 HA ILE 40 HA ILE 40 -10.382 7.640 2.927 270 HB ILE 40 HB ILE 40 -12.358 7.841 1.472 271 1HG1 ILE 40 1HG1 ILE 40 -10.599 7.005 -0.878 272 2HG1 ILE 40 2HG1 ILE 40 -11.645 5.848 -0.049 273 1HG2 ILE 40 1HG2 ILE 40 -10.665 9.647 1.687 274 2HG2 ILE 40 2HG2 ILE 40 -9.845 9.041 0.235 275 3HG2 ILE 40 3HG2 ILE 40 -11.496 9.676 0.127 276 1HD1 ILE 40 1HD1 ILE 40 -13.614 7.282 -0.513 277 2HD1 ILE 40 2HD1 ILE 40 -12.571 8.384 -1.445 278 3HD1 ILE 40 3HD1 ILE 40 -12.798 6.709 -1.980 279 H ASP 41 H ASP 41 -9.332 5.014 3.199 280 HA ASP 41 HA ASP 41 -9.839 2.892 3.708 281 1HB ASP 41 1HB ASP 41 -11.200 4.817 5.421 282 2HB ASP 41 2HB ASP 41 -12.133 3.334 5.431 283 H CYS 42 H CYS 42 -10.620 2.946 1.278 284 HA CYS 42 HA CYS 42 -13.376 1.932 1.069 285 1HB CYS 42 1HB CYS 42 -13.272 2.185 -1.099 286 2HB CYS 42 2HB CYS 42 -12.141 3.444 -0.643 287 H GLY 43 H GLY 43 -13.071 -0.054 -0.847 288 1HA GLY 43 1HA GLY 43 -11.314 -2.165 0.283 289 2HA GLY 43 2HA GLY 43 -13.032 -2.521 0.028 290 H ALA 44 H ALA 44 -9.944 -2.165 -1.502 291 HA ALA 44 HA ALA 44 -10.937 -3.276 -3.934 292 1HB ALA 44 1HB ALA 44 -10.039 -0.361 -4.098 293 2HB ALA 44 2HB ALA 44 -10.176 -1.457 -5.489 294 3HB ALA 44 3HB ALA 44 -11.615 -1.025 -4.550 295 H CYS 45 H CYS 45 -8.204 -1.043 -3.363 296 HA CYS 45 HA CYS 45 -6.289 -2.466 -4.713 297 1HB CYS 45 1HB CYS 45 -4.662 -1.149 -3.561 298 2HB CYS 45 2HB CYS 45 -6.037 -0.182 -4.040 299 H GLU 46 H GLU 46 -7.112 -2.796 -1.232 300 HA GLU 46 HA GLU 46 -5.003 -4.541 -0.577 301 1HB GLU 46 1HB GLU 46 -6.091 -4.903 1.491 302 2HB GLU 46 2HB GLU 46 -6.321 -3.216 1.019 303 1HG GLU 46 1HG GLU 46 -8.367 -5.444 1.035 304 2HG GLU 46 2HG GLU 46 -8.379 -3.941 1.960 305 H ALA 47 H ALA 47 -8.397 -5.405 -1.486 306 HA ALA 47 HA ALA 47 -7.864 -8.229 -1.532 307 1HB ALA 47 1HB ALA 47 -10.115 -7.233 -1.272 308 2HB ALA 47 2HB ALA 47 -10.021 -6.585 -2.924 309 3HB ALA 47 3HB ALA 47 -10.042 -8.344 -2.657 310 H VAL 48 H VAL 48 -7.474 -5.589 -3.902 311 HA VAL 48 HA VAL 48 -7.386 -7.319 -6.192 312 HB VAL 48 HB VAL 48 -6.770 -4.431 -5.651 313 1HG1 VAL 48 1HG1 VAL 48 -6.125 -5.916 -8.214 314 2HG1 VAL 48 2HG1 VAL 48 -6.464 -4.176 -8.144 315 3HG1 VAL 48 3HG1 VAL 48 -5.080 -4.834 -7.255 316 1HG2 VAL 48 1HG2 VAL 48 -9.134 -5.445 -5.996 317 2HG2 VAL 48 2HG2 VAL 48 -8.696 -4.062 -7.012 318 3HG2 VAL 48 3HG2 VAL 48 -8.643 -5.706 -7.678 319 H CYS 49 H CYS 49 -4.768 -6.038 -4.039 320 HA CYS 49 HA CYS 49 -2.651 -6.873 -5.672 321 1HB CYS 49 1HB CYS 49 -2.509 -5.545 -3.501 322 2HB CYS 49 2HB CYS 49 -2.561 -7.139 -2.694 323 HA PRO 50 HA PRO 50 -3.851 -11.223 -5.552 324 1HB PRO 50 1HB PRO 50 -1.752 -12.249 -7.123 325 2HB PRO 50 2HB PRO 50 -3.310 -11.616 -7.709 326 1HG PRO 50 1HG PRO 50 -0.629 -10.313 -7.744 327 2HG PRO 50 2HG PRO 50 -2.031 -10.045 -8.814 328 1HD PRO 50 1HD PRO 50 -1.212 -8.379 -6.701 329 2HD PRO 50 2HD PRO 50 -2.809 -8.351 -7.490 330 H VAL 51 H VAL 51 -0.965 -9.864 -4.332 331 HA VAL 51 HA VAL 51 0.040 -12.354 -3.124 332 HB VAL 51 HB VAL 51 2.045 -11.356 -3.108 333 1HG1 VAL 51 1HG1 VAL 51 1.216 -10.760 -5.419 334 2HG1 VAL 51 2HG1 VAL 51 0.781 -9.145 -4.787 335 3HG1 VAL 51 3HG1 VAL 51 2.469 -9.675 -4.800 336 1HG2 VAL 51 1HG2 VAL 51 0.717 -8.761 -2.272 337 2HG2 VAL 51 2HG2 VAL 51 1.673 -9.872 -1.258 338 3HG2 VAL 51 3HG2 VAL 51 2.463 -8.946 -2.539 339 H SER 52 H SER 52 -2.040 -9.655 -2.401 340 HA SER 52 HA SER 52 -2.768 -8.645 -0.535 341 1HB SER 52 1HB SER 52 -2.490 -11.423 0.660 342 2HB SER 52 2HB SER 52 -3.592 -10.134 1.181 343 HG SER 52 HG SER 52 -4.012 -10.429 -1.398 344 H ALA 53 H ALA 53 -0.347 -7.802 -0.789 345 HA ALA 53 HA ALA 53 1.281 -8.204 1.661 346 1HB ALA 53 1HB ALA 53 1.572 -6.392 -0.769 347 2HB ALA 53 2HB ALA 53 2.707 -6.428 0.595 348 3HB ALA 53 3HB ALA 53 2.502 -7.865 -0.407 349 H ILE 54 H ILE 54 -1.285 -6.215 0.510 350 HA ILE 54 HA ILE 54 -0.756 -3.887 2.157 351 HB ILE 54 HB ILE 54 -3.118 -4.781 0.486 352 1HG1 ILE 54 1HG1 ILE 54 -1.077 -2.620 -0.113 353 2HG1 ILE 54 2HG1 ILE 54 -0.923 -4.262 -0.737 354 1HG2 ILE 54 1HG2 ILE 54 -2.552 -2.107 1.856 355 2HG2 ILE 54 2HG2 ILE 54 -3.865 -2.366 0.691 356 3HG2 ILE 54 3HG2 ILE 54 -3.883 -3.231 2.217 357 1HD1 ILE 54 1HD1 ILE 54 -3.094 -4.073 -1.878 358 2HD1 ILE 54 2HD1 ILE 54 -3.218 -2.372 -1.394 359 3HD1 ILE 54 3HD1 ILE 54 -1.908 -2.892 -2.454 360 H TYR 55 H TYR 55 -1.427 -3.713 4.304 361 HA TYR 55 HA TYR 55 -3.731 -5.325 5.240 362 1HB TYR 55 1HB TYR 55 -0.957 -5.091 6.440 363 2HB TYR 55 2HB TYR 55 -2.337 -5.654 7.338 364 HD1 TYR 55 HD1 TYR 55 -3.648 -7.709 6.234 365 HD2 TYR 55 HD2 TYR 55 0.423 -6.632 5.303 366 HE1 TYR 55 HE1 TYR 55 -3.262 -9.968 5.282 367 HE2 TYR 55 HE2 TYR 55 0.792 -8.879 4.335 368 HH TYR 55 HH TYR 55 -0.734 -10.596 3.226 369 H HIS 56 H HIS 56 -4.385 -4.437 7.421 370 HA HIS 56 HA HIS 56 -4.439 -1.525 7.372 371 1HB HIS 56 1HB HIS 56 -6.022 -3.512 8.554 372 2HB HIS 56 2HB HIS 56 -5.102 -2.925 9.910 373 HD1 HIS 56 HD1 HIS 56 -6.079 -0.846 11.037 374 HD2 HIS 56 HD2 HIS 56 -7.279 -1.319 7.039 375 HE1 HIS 56 HE1 HIS 56 -7.724 1.063 10.533 376 H GLU 57 H GLU 57 -3.422 -0.076 8.760 377 HA GLU 57 HA GLU 57 -0.760 -0.588 9.090 378 1HB GLU 57 1HB GLU 57 -2.454 1.301 10.854 379 2HB GLU 57 2HB GLU 57 -0.742 1.448 10.418 380 1HG GLU 57 1HG GLU 57 -1.471 1.838 8.077 381 2HG GLU 57 2HG GLU 57 -3.159 1.889 8.676 382 H ASP 58 H ASP 58 -3.306 -1.107 11.505 383 HA ASP 58 HA ASP 58 -1.408 -1.655 13.617 384 1HB ASP 58 1HB ASP 58 -3.469 -2.282 14.815 385 2HB ASP 58 2HB ASP 58 -3.561 -0.652 14.140 386 H PHE 59 H PHE 59 -2.695 -3.399 10.903 387 HA PHE 59 HA PHE 59 -2.560 -6.045 12.223 388 1HB PHE 59 1HB PHE 59 -3.213 -5.065 9.422 389 2HB PHE 59 2HB PHE 59 -2.799 -6.716 9.767 390 HD1 PHE 59 HD1 PHE 59 -4.849 -4.662 12.138 391 HD2 PHE 59 HD2 PHE 59 -4.895 -7.618 8.985 392 HE1 PHE 59 HE1 PHE 59 -7.224 -5.032 12.536 393 HE2 PHE 59 HE2 PHE 59 -7.299 -8.016 9.419 394 HZ PHE 59 HZ PHE 59 -8.481 -6.723 11.189 395 H VAL 60 H VAL 60 -0.689 -3.903 10.066 396 HA VAL 60 HA VAL 60 1.223 -5.764 9.269 397 HB VAL 60 HB VAL 60 1.419 -2.761 9.599 398 1HG1 VAL 60 1HG1 VAL 60 3.423 -4.771 8.476 399 2HG1 VAL 60 2HG1 VAL 60 3.464 -3.045 8.105 400 3HG1 VAL 60 3HG1 VAL 60 3.700 -3.583 9.771 401 1HG2 VAL 60 1HG2 VAL 60 1.103 -4.703 7.260 402 2HG2 VAL 60 2HG2 VAL 60 -0.129 -3.582 7.883 403 3HG2 VAL 60 3HG2 VAL 60 1.306 -2.965 7.070 404 HA PRO 61 HA PRO 61 3.223 -6.824 13.169 405 1HB PRO 61 1HB PRO 61 5.471 -7.506 11.259 406 2HB PRO 61 2HB PRO 61 4.867 -8.457 12.642 407 1HG PRO 61 1HG PRO 61 4.146 -9.122 10.112 408 2HG PRO 61 2HG PRO 61 2.915 -9.113 11.411 409 1HD PRO 61 1HD PRO 61 3.434 -7.002 9.317 410 2HD PRO 61 2HD PRO 61 1.888 -7.680 9.921 411 H GLU 62 H GLU 62 4.671 -5.671 14.600 412 HA GLU 62 HA GLU 62 5.593 -3.231 14.404 413 1HB GLU 62 1HB GLU 62 6.258 -5.838 15.790 414 2HB GLU 62 2HB GLU 62 7.450 -4.603 15.889 415 1HG GLU 62 1HG GLU 62 5.782 -4.563 17.784 416 2HG GLU 62 2HG GLU 62 5.908 -3.032 16.904 417 H GLU 63 H GLU 63 7.566 -6.087 13.400 418 HA GLU 63 HA GLU 63 9.940 -4.836 12.687 419 1HB GLU 63 1HB GLU 63 8.538 -7.007 11.087 420 2HB GLU 63 2HB GLU 63 10.264 -6.649 11.139 421 1HG GLU 63 1HG GLU 63 10.258 -8.385 12.606 422 2HG GLU 63 2HG GLU 63 9.891 -7.122 13.783 423 H TRP 64 H TRP 64 6.921 -5.072 10.852 424 HA TRP 64 HA TRP 64 7.991 -3.454 8.605 425 1HB TRP 64 1HB TRP 64 5.657 -5.338 8.948 426 2HB TRP 64 2HB TRP 64 5.821 -4.286 7.546 427 HD1 TRP 64 HD1 TRP 64 9.242 -5.190 7.906 428 HE1 TRP 64 HE1 TRP 64 9.863 -7.128 6.335 429 HE3 TRP 64 HE3 TRP 64 4.552 -7.057 6.944 430 HZ2 TRP 64 HZ2 TRP 64 8.562 -9.272 5.002 431 HZ3 TRP 64 HZ3 TRP 64 4.292 -8.978 5.401 432 HH2 TRP 64 HH2 TRP 64 6.323 -9.986 4.315 433 H LYS 65 H LYS 65 6.310 -2.792 11.547 434 HA LYS 65 HA LYS 65 4.550 -0.796 10.545 435 1HB LYS 65 1HB LYS 65 5.844 -1.458 13.185 436 2HB LYS 65 2HB LYS 65 5.085 0.041 12.949 437 1HG LYS 65 1HG LYS 65 3.024 -1.338 11.997 438 2HG LYS 65 2HG LYS 65 3.840 -2.689 12.798 439 1HD LYS 65 1HD LYS 65 3.782 -1.317 14.945 440 2HD LYS 65 2HD LYS 65 2.960 -0.035 14.052 441 1HE LYS 65 1HE LYS 65 1.326 -1.313 15.308 442 2HE LYS 65 2HE LYS 65 1.045 -1.518 13.570 443 1HZ LYS 65 1HZ LYS 65 2.433 -3.423 15.335 444 2HZ LYS 65 2HZ LYS 65 0.887 -3.595 14.806 445 3HZ LYS 65 3HZ LYS 65 2.109 -3.679 13.718 446 H SER 66 H SER 66 8.040 -0.994 10.844 447 HA SER 66 HA SER 66 8.842 1.613 10.523 448 1HB SER 66 1HB SER 66 9.821 -0.645 8.811 449 2HB SER 66 2HB SER 66 10.748 0.713 9.470 450 HG SER 66 HG SER 66 10.088 -1.707 10.641 451 H TYR 67 H TYR 67 7.242 -0.525 8.084 452 HA TYR 67 HA TYR 67 7.474 1.411 5.951 453 1HB TYR 67 1HB TYR 67 5.670 -1.001 6.211 454 2HB TYR 67 2HB TYR 67 5.753 0.077 4.828 455 HD1 TYR 67 HD1 TYR 67 7.949 0.352 3.555 456 HD2 TYR 67 HD2 TYR 67 7.264 -2.812 6.400 457 HE1 TYR 67 HE1 TYR 67 9.830 -0.936 2.585 458 HE2 TYR 67 HE2 TYR 67 9.172 -4.076 5.450 459 HH TYR 67 HH TYR 67 10.741 -4.191 3.757 460 H ILE 68 H ILE 68 5.036 0.920 8.617 461 HA ILE 68 HA ILE 68 2.979 2.463 7.310 462 HB ILE 68 HB ILE 68 3.609 1.538 10.139 463 1HG1 ILE 68 1HG1 ILE 68 1.588 0.342 9.995 464 2HG1 ILE 68 2HG1 ILE 68 1.123 1.121 8.483 465 1HG2 ILE 68 1HG2 ILE 68 1.487 3.500 9.308 466 2HG2 ILE 68 2HG2 ILE 68 1.485 2.590 10.841 467 3HG2 ILE 68 3HG2 ILE 68 2.793 3.728 10.505 468 1HD1 ILE 68 1HD1 ILE 68 2.998 -0.106 7.331 469 2HD1 ILE 68 2HD1 ILE 68 3.317 -0.925 8.860 470 3HD1 ILE 68 3HD1 ILE 68 1.752 -1.102 8.054 471 H GLN 69 H GLN 69 5.662 3.142 9.564 472 HA GLN 69 HA GLN 69 5.296 5.944 9.695 473 1HB GLN 69 1HB GLN 69 6.774 4.540 11.115 474 2HB GLN 69 2HB GLN 69 7.947 4.429 9.802 475 1HG GLN 69 1HG GLN 69 7.015 7.134 10.843 476 2HG GLN 69 2HG GLN 69 8.219 6.188 11.715 477 1HE2 GLN 69 2HE2 GLN 69 7.661 8.094 8.814 478 2HE2 GLN 69 1HE2 GLN 69 9.357 8.194 8.378 479 H LYS 70 H LYS 70 7.237 4.001 7.352 480 HA LYS 70 HA LYS 70 8.147 6.246 5.912 481 1HB LYS 70 1HB LYS 70 9.059 3.854 5.815 482 2HB LYS 70 2HB LYS 70 7.649 3.440 4.848 483 1HG LYS 70 1HG LYS 70 9.511 3.740 3.374 484 2HG LYS 70 2HG LYS 70 8.342 5.006 3.098 485 1HD LYS 70 1HD LYS 70 10.157 6.093 5.051 486 2HD LYS 70 2HD LYS 70 11.149 5.135 3.970 487 1HE LYS 70 1HE LYS 70 11.088 7.369 3.084 488 2HE LYS 70 2HE LYS 70 10.151 6.332 2.003 489 1HZ LYS 70 1HZ LYS 70 8.140 7.213 3.327 490 2HZ LYS 70 2HZ LYS 70 9.177 8.341 3.932 491 3HZ LYS 70 3HZ LYS 70 8.919 8.253 2.324 492 H ASN 71 H ASN 71 5.365 4.214 5.367 493 HA ASN 71 HA ASN 71 4.357 5.388 2.971 494 1HB ASN 71 1HB ASN 71 3.134 3.756 5.147 495 2HB ASN 71 2HB ASN 71 2.113 4.510 3.953 496 1HD2 ASN 71 2HD2 ASN 71 4.850 2.230 4.246 497 2HD2 ASN 71 1HD2 ASN 71 4.372 1.281 2.840 498 H ARG 72 H ARG 72 3.767 6.228 6.452 499 HA ARG 72 HA ARG 72 1.873 8.271 6.072 500 1HB ARG 72 1HB ARG 72 2.689 7.159 8.202 501 2HB ARG 72 2HB ARG 72 4.123 8.130 8.121 502 1HG ARG 72 1HG ARG 72 3.145 9.859 9.102 503 2HG ARG 72 2HG ARG 72 1.941 9.964 7.807 504 1HD ARG 72 1HD ARG 72 1.796 8.160 10.257 505 2HD ARG 72 2HD ARG 72 0.863 9.631 9.981 506 HE ARG 72 HE ARG 72 -0.020 8.520 7.874 507 1HH1 ARG 72 1HH1 ARG 72 1.219 6.186 10.144 508 2HH1 ARG 72 2HH1 ARG 72 -0.238 5.219 10.157 509 1HH2 ARG 72 1HH2 ARG 72 -2.135 7.584 8.366 510 2HH2 ARG 72 2HH2 ARG 72 -2.130 5.892 8.905 511 H ASP 73 H ASP 73 5.361 8.270 6.464 512 HA ASP 73 HA ASP 73 5.930 10.995 6.356 513 1HB ASP 73 1HB ASP 73 7.272 9.343 7.394 514 2HB ASP 73 2HB ASP 73 7.412 8.374 5.926 515 H PHE 74 H PHE 74 6.082 8.587 3.770 516 HA PHE 74 HA PHE 74 7.559 9.718 1.820 517 1HB PHE 74 1HB PHE 74 5.269 7.937 1.846 518 2HB PHE 74 2HB PHE 74 5.323 8.972 0.430 519 HD1 PHE 74 HD1 PHE 74 7.482 9.267 -0.865 520 HD2 PHE 74 HD2 PHE 74 6.465 5.847 1.549 521 HE1 PHE 74 HE1 PHE 74 9.064 7.876 -2.143 522 HE2 PHE 74 HE2 PHE 74 8.251 4.531 0.412 523 HZ PHE 74 HZ PHE 74 9.628 5.572 -1.347 524 H PHE 75 H PHE 75 4.172 10.605 2.308 525 HA PHE 75 HA PHE 75 4.442 12.809 0.344 526 1HB PHE 75 1HB PHE 75 1.916 11.789 1.531 527 2HB PHE 75 2HB PHE 75 2.166 12.553 -0.024 528 HD1 PHE 75 HD1 PHE 75 3.668 11.237 -1.748 529 HD2 PHE 75 HD2 PHE 75 2.021 9.387 1.783 530 HE1 PHE 75 HE1 PHE 75 4.258 8.997 -2.621 531 HE2 PHE 75 HE2 PHE 75 2.401 7.160 0.809 532 HZ PHE 75 HZ PHE 75 3.582 6.953 -1.368 533 H LYS 76 H LYS 76 4.952 12.622 3.589 534 HA LYS 76 HA LYS 76 3.498 15.166 4.282 535 1HB LYS 76 1HB LYS 76 4.298 12.682 5.831 536 2HB LYS 76 2HB LYS 76 4.158 14.239 6.635 537 1HG LYS 76 1HG LYS 76 2.164 12.809 6.816 538 2HG LYS 76 2HG LYS 76 1.820 14.419 6.171 539 1HD LYS 76 1HD LYS 76 1.323 13.637 4.019 540 2HD LYS 76 2HD LYS 76 2.301 12.188 4.205 541 1HE LYS 76 1HE LYS 76 0.220 11.999 6.172 542 2HE LYS 76 2HE LYS 76 -0.526 12.446 4.635 543 1HZ LYS 76 1HZ LYS 76 1.464 10.290 4.784 544 2HZ LYS 76 2HZ LYS 76 -0.134 10.025 5.138 545 3HZ LYS 76 3HZ LYS 76 0.275 10.557 3.644 546 H LYS 77 H LYS 77 5.251 16.367 3.108 547 HA LYS 77 HA LYS 77 7.660 16.697 4.596 548 1HB LYS 77 1HB LYS 77 7.691 14.428 3.102 549 2HB LYS 77 2HB LYS 77 8.075 15.564 1.832 550 1HG LYS 77 1HG LYS 77 10.100 16.152 2.731 551 2HG LYS 77 2HG LYS 77 9.649 15.869 4.408 552 1HD LYS 77 1HD LYS 77 9.790 13.535 2.490 553 2HD LYS 77 2HD LYS 77 11.263 14.198 3.207 554 1HE LYS 77 1HE LYS 77 10.378 12.257 4.510 555 2HE LYS 77 2HE LYS 77 10.528 13.737 5.462 556 1HZ LYS 77 1HZ LYS 77 8.081 13.986 5.259 557 2HZ LYS 77 2HZ LYS 77 8.015 12.607 4.385 558 3HZ LYS 77 3HZ LYS 77 8.577 12.544 5.900 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -7.145 2.164 7.585 2 2H ALA 1 2H ALA 1 -7.244 3.500 8.298 3 3H ALA 1 3H ALA 1 -8.163 3.194 7.130 4 HA ALA 1 HA ALA 1 -6.575 3.949 5.520 5 1HB ALA 1 1HB ALA 1 -4.874 4.287 8.020 6 2HB ALA 1 2HB ALA 1 -4.464 4.818 6.372 7 3HB ALA 1 3HB ALA 1 -5.879 5.513 7.196 8 H TYR 2 H TYR 2 -5.696 2.512 4.073 9 HA TYR 2 HA TYR 2 -4.331 0.113 5.134 10 1HB TYR 2 1HB TYR 2 -5.427 0.906 2.401 11 2HB TYR 2 2HB TYR 2 -4.425 -0.512 2.632 12 HD1 TYR 2 HD1 TYR 2 -7.676 1.018 3.699 13 HD2 TYR 2 HD2 TYR 2 -5.315 -2.581 3.389 14 HE1 TYR 2 HE1 TYR 2 -9.721 -0.358 3.955 15 HE2 TYR 2 HE2 TYR 2 -7.373 -3.937 3.543 16 HH TYR 2 HH TYR 2 -9.781 -3.587 2.911 17 H VAL 3 H VAL 3 -2.422 -0.653 4.191 18 HA VAL 3 HA VAL 3 -0.572 1.350 3.036 19 HB VAL 3 HB VAL 3 -0.824 1.221 5.628 20 1HG1 VAL 3 1HG1 VAL 3 -0.701 -1.279 5.783 21 2HG1 VAL 3 2HG1 VAL 3 1.004 -1.187 5.276 22 3HG1 VAL 3 3HG1 VAL 3 0.473 -0.420 6.772 23 1HG2 VAL 3 1HG2 VAL 3 0.944 2.428 4.424 24 2HG2 VAL 3 2HG2 VAL 3 1.513 1.743 5.950 25 3HG2 VAL 3 3HG2 VAL 3 1.941 0.938 4.425 26 H ILE 4 H ILE 4 1.321 0.455 2.089 27 HA ILE 4 HA ILE 4 1.066 -2.399 1.236 28 HB ILE 4 HB ILE 4 2.433 -0.006 -0.048 29 1HG1 ILE 4 1HG1 ILE 4 -0.003 -1.696 -0.771 30 2HG1 ILE 4 2HG1 ILE 4 -0.046 -0.037 -0.170 31 1HG2 ILE 4 1HG2 ILE 4 3.725 -2.112 -0.445 32 2HG2 ILE 4 2HG2 ILE 4 2.233 -2.906 -0.989 33 3HG2 ILE 4 3HG2 ILE 4 2.951 -1.566 -1.908 34 1HD1 ILE 4 1HD1 ILE 4 1.136 -0.872 -2.841 35 2HD1 ILE 4 2HD1 ILE 4 -0.445 -0.156 -2.577 36 3HD1 ILE 4 3HD1 ILE 4 1.008 0.783 -2.180 37 H THR 5 H THR 5 2.722 -3.806 1.513 38 HA THR 5 HA THR 5 5.104 -2.912 3.055 39 HB THR 5 HB THR 5 4.852 -4.973 4.410 40 HG1 THR 5 HG1 THR 5 2.310 -5.247 3.126 41 1HG2 THR 5 1HG2 THR 5 3.961 -2.818 5.234 42 2HG2 THR 5 2HG2 THR 5 2.362 -3.242 4.564 43 3HG2 THR 5 3HG2 THR 5 3.096 -4.250 5.832 44 H GLU 6 H GLU 6 6.696 -4.559 3.182 45 HA GLU 6 HA GLU 6 8.258 -5.334 1.387 46 1HB GLU 6 1HB GLU 6 8.392 -5.826 3.672 47 2HB GLU 6 2HB GLU 6 7.337 -7.209 3.571 48 1HG GLU 6 1HG GLU 6 8.976 -8.459 2.434 49 2HG GLU 6 2HG GLU 6 9.829 -7.018 1.908 50 HA PRO 7 HA PRO 7 6.501 -9.262 -0.483 51 1HB PRO 7 1HB PRO 7 3.522 -9.044 -0.173 52 2HB PRO 7 2HB PRO 7 4.547 -10.503 -0.174 53 1HG PRO 7 1HG PRO 7 3.610 -9.518 2.175 54 2HG PRO 7 2HG PRO 7 5.323 -10.029 2.043 55 1HD PRO 7 1HD PRO 7 4.197 -7.231 1.755 56 2HD PRO 7 2HD PRO 7 5.497 -7.774 2.825 57 H CYS 8 H CYS 8 4.908 -6.128 -0.849 58 HA CYS 8 HA CYS 8 4.090 -6.518 -3.602 59 1HB CYS 8 1HB CYS 8 3.059 -4.794 -2.307 60 2HB CYS 8 2HB CYS 8 4.628 -4.123 -1.871 61 H ILE 9 H ILE 9 7.182 -5.853 -2.031 62 HA ILE 9 HA ILE 9 8.511 -4.187 -3.719 63 HB ILE 9 HB ILE 9 9.532 -6.304 -1.974 64 1HG1 ILE 9 1HG1 ILE 9 9.599 -3.216 -2.162 65 2HG1 ILE 9 2HG1 ILE 9 8.372 -4.145 -1.293 66 1HG2 ILE 9 1HG2 ILE 9 11.095 -4.328 -3.683 67 2HG2 ILE 9 2HG2 ILE 9 11.760 -5.301 -2.354 68 3HG2 ILE 9 3HG2 ILE 9 11.208 -6.105 -3.817 69 1HD1 ILE 9 1HD1 ILE 9 10.237 -5.166 0.010 70 2HD1 ILE 9 2HD1 ILE 9 11.281 -3.907 -0.732 71 3HD1 ILE 9 3HD1 ILE 9 9.896 -3.427 0.279 72 H GLY 10 H GLY 10 8.619 -4.125 -5.826 73 1HA GLY 10 1HA GLY 10 9.988 -6.027 -7.444 74 2HA GLY 10 2HA GLY 10 8.239 -6.290 -7.614 75 H THR 11 H THR 11 9.993 -3.215 -7.033 76 HA THR 11 HA THR 11 10.062 -1.281 -7.981 77 HB THR 11 HB THR 11 10.440 -3.079 -10.312 78 HG1 THR 11 HG1 THR 11 12.240 -2.056 -8.392 79 1HG2 THR 11 1HG2 THR 11 10.369 -0.308 -10.382 80 2HG2 THR 11 2HG2 THR 11 12.063 -0.591 -10.015 81 3HG2 THR 11 3HG2 THR 11 11.351 -1.296 -11.488 82 H LYS 12 H LYS 12 8.282 -2.838 -10.706 83 HA LYS 12 HA LYS 12 6.179 -0.745 -10.402 84 1HB LYS 12 1HB LYS 12 7.614 -1.389 -13.004 85 2HB LYS 12 2HB LYS 12 6.090 -0.504 -12.837 86 1HG LYS 12 1HG LYS 12 7.461 0.977 -11.124 87 2HG LYS 12 2HG LYS 12 8.865 0.340 -12.016 88 1HD LYS 12 1HD LYS 12 7.663 1.112 -14.161 89 2HD LYS 12 2HD LYS 12 6.458 1.870 -13.106 90 1HE LYS 12 1HE LYS 12 9.273 2.718 -13.721 91 2HE LYS 12 2HE LYS 12 7.803 3.695 -13.524 92 1HZ LYS 12 1HZ LYS 12 8.015 3.343 -11.127 93 2HZ LYS 12 2HZ LYS 12 9.372 2.434 -11.368 94 3HZ LYS 12 3HZ LYS 12 9.442 3.970 -11.680 95 H CYS 13 H CYS 13 4.466 -1.792 -9.932 96 HA CYS 13 HA CYS 13 3.471 -4.007 -11.583 97 1HB CYS 13 1HB CYS 13 4.184 -5.153 -9.666 98 2HB CYS 13 2HB CYS 13 3.670 -3.853 -8.618 99 H ALA 14 H ALA 14 1.007 -3.917 -11.294 100 HA ALA 14 HA ALA 14 0.051 -1.128 -10.774 101 1HB ALA 14 1HB ALA 14 0.315 -1.582 -13.216 102 2HB ALA 14 2HB ALA 14 -0.832 -2.929 -13.072 103 3HB ALA 14 3HB ALA 14 -1.351 -1.256 -12.748 104 H SER 15 H SER 15 -2.653 -2.438 -11.644 105 HA SER 15 HA SER 15 -4.297 -3.745 -10.972 106 1HB SER 15 1HB SER 15 -2.595 -5.003 -8.797 107 2HB SER 15 2HB SER 15 -4.142 -5.559 -9.426 108 HG SER 15 HG SER 15 -1.910 -5.211 -11.114 109 H CYS 16 H CYS 16 -2.489 -2.847 -7.994 110 HA CYS 16 HA CYS 16 -4.842 -1.891 -6.599 111 1HB CYS 16 1HB CYS 16 -3.175 -0.802 -5.081 112 2HB CYS 16 2HB CYS 16 -3.027 -2.562 -5.271 113 H VAL 17 H VAL 17 -2.626 -0.513 -8.913 114 HA VAL 17 HA VAL 17 -3.167 2.232 -8.592 115 HB VAL 17 HB VAL 17 -2.340 0.685 -11.016 116 1HG1 VAL 17 1HG1 VAL 17 -2.564 3.673 -10.529 117 2HG1 VAL 17 2HG1 VAL 17 -1.414 3.002 -11.699 118 3HG1 VAL 17 3HG1 VAL 17 -3.147 2.729 -11.917 119 1HG2 VAL 17 1HG2 VAL 17 -0.848 2.255 -8.923 120 2HG2 VAL 17 2HG2 VAL 17 -0.759 0.499 -9.158 121 3HG2 VAL 17 3HG2 VAL 17 -0.103 1.580 -10.395 122 H GLU 18 H GLU 18 -4.564 0.099 -11.132 123 HA GLU 18 HA GLU 18 -6.422 2.143 -11.906 124 1HB GLU 18 1HB GLU 18 -7.077 0.543 -13.619 125 2HB GLU 18 2HB GLU 18 -5.335 0.822 -13.544 126 1HG GLU 18 1HG GLU 18 -6.400 -1.484 -11.958 127 2HG GLU 18 2HG GLU 18 -6.450 -1.632 -13.719 128 H VAL 19 H VAL 19 -6.950 1.454 -9.249 129 HA VAL 19 HA VAL 19 -9.817 0.883 -9.533 130 HB VAL 19 HB VAL 19 -8.767 -1.305 -9.060 131 1HG1 VAL 19 1HG1 VAL 19 -7.882 -0.007 -6.443 132 2HG1 VAL 19 2HG1 VAL 19 -8.041 -1.751 -6.675 133 3HG1 VAL 19 3HG1 VAL 19 -6.901 -0.838 -7.670 134 1HG2 VAL 19 1HG2 VAL 19 -11.092 -0.777 -8.445 135 2HG2 VAL 19 2HG2 VAL 19 -10.349 -1.979 -7.377 136 3HG2 VAL 19 3HG2 VAL 19 -10.547 -0.304 -6.817 137 H CYS 20 H CYS 20 -7.186 2.305 -7.494 138 HA CYS 20 HA CYS 20 -8.822 2.794 -5.377 139 1HB CYS 20 1HB CYS 20 -6.379 2.967 -5.318 140 2HB CYS 20 2HB CYS 20 -6.546 4.463 -6.244 141 HA PRO 21 HA PRO 21 -11.634 5.824 -7.029 142 1HB PRO 21 1HB PRO 21 -12.643 6.686 -4.490 143 2HB PRO 21 2HB PRO 21 -13.308 5.437 -5.568 144 1HG PRO 21 1HG PRO 21 -11.768 5.118 -3.062 145 2HG PRO 21 2HG PRO 21 -12.780 3.926 -3.918 146 1HD PRO 21 1HD PRO 21 -9.936 4.040 -3.887 147 2HD PRO 21 2HD PRO 21 -10.957 3.033 -4.962 148 H VAL 22 H VAL 22 -9.283 6.668 -4.508 149 HA VAL 22 HA VAL 22 -9.539 9.569 -5.229 150 HB VAL 22 HB VAL 22 -8.665 9.989 -2.951 151 1HG1 VAL 22 1HG1 VAL 22 -11.078 10.116 -3.466 152 2HG1 VAL 22 2HG1 VAL 22 -11.267 8.408 -3.022 153 3HG1 VAL 22 3HG1 VAL 22 -10.774 9.597 -1.798 154 1HG2 VAL 22 1HG2 VAL 22 -7.712 7.566 -2.713 155 2HG2 VAL 22 2HG2 VAL 22 -8.469 8.325 -1.306 156 3HG2 VAL 22 3HG2 VAL 22 -9.366 7.120 -2.241 157 H ASP 23 H ASP 23 -7.770 7.226 -6.334 158 HA ASP 23 HA ASP 23 -5.632 6.962 -7.040 159 1HB ASP 23 1HB ASP 23 -6.677 8.689 -8.497 160 2HB ASP 23 2HB ASP 23 -5.979 9.957 -7.469 161 H CYS 24 H CYS 24 -5.223 6.699 -4.521 162 HA CYS 24 HA CYS 24 -3.056 8.597 -3.681 163 1HB CYS 24 1HB CYS 24 -3.610 8.255 -1.457 164 2HB CYS 24 2HB CYS 24 -5.111 8.657 -2.325 165 HG CYS 24 HG CYS 24 -3.986 5.965 -0.902 166 H ILE 25 H ILE 25 -2.699 6.375 -5.453 167 HA ILE 25 HA ILE 25 -0.994 4.504 -3.888 168 HB ILE 25 HB ILE 25 -1.399 3.171 -6.227 169 1HG1 ILE 25 1HG1 ILE 25 -3.832 3.031 -6.612 170 2HG1 ILE 25 2HG1 ILE 25 -4.107 4.466 -5.647 171 1HG2 ILE 25 1HG2 ILE 25 -1.585 2.245 -3.954 172 2HG2 ILE 25 2HG2 ILE 25 -3.201 2.987 -3.805 173 3HG2 ILE 25 3HG2 ILE 25 -2.923 1.686 -4.961 174 1HD1 ILE 25 1HD1 ILE 25 -2.350 4.409 -8.152 175 2HD1 ILE 25 2HD1 ILE 25 -4.073 4.838 -8.147 176 3HD1 ILE 25 3HD1 ILE 25 -2.910 5.852 -7.293 177 H HIS 26 H HIS 26 1.096 5.054 -4.122 178 HA HIS 26 HA HIS 26 2.059 6.446 -6.575 179 1HB HIS 26 1HB HIS 26 2.740 6.722 -3.611 180 2HB HIS 26 2HB HIS 26 3.395 7.695 -4.926 181 HD1 HIS 26 HD1 HIS 26 1.224 8.974 -6.431 182 HD2 HIS 26 HD2 HIS 26 0.530 7.656 -2.504 183 HE1 HIS 26 HE1 HIS 26 -0.911 10.120 -5.645 184 H GLU 27 H GLU 27 4.555 6.244 -6.667 185 HA GLU 27 HA GLU 27 5.568 3.634 -5.632 186 1HB GLU 27 1HB GLU 27 6.213 5.322 -8.085 187 2HB GLU 27 2HB GLU 27 7.220 3.968 -7.576 188 1HG GLU 27 1HG GLU 27 5.440 2.391 -7.809 189 2HG GLU 27 2HG GLU 27 4.311 3.725 -8.098 190 H GLY 28 H GLY 28 7.769 3.439 -5.164 191 1HA GLY 28 1HA GLY 28 9.398 5.918 -4.762 192 2HA GLY 28 2HA GLY 28 9.409 4.557 -3.629 193 H GLU 29 H GLU 29 8.970 3.593 -6.879 194 HA GLU 29 HA GLU 29 10.085 2.588 -8.441 195 1HB GLU 29 1HB GLU 29 11.632 4.642 -8.223 196 2HB GLU 29 2HB GLU 29 12.756 3.571 -7.370 197 1HG GLU 29 1HG GLU 29 13.307 3.837 -9.773 198 2HG GLU 29 2HG GLU 29 12.922 2.155 -9.398 199 H ASP 30 H ASP 30 9.857 1.631 -5.521 200 HA ASP 30 HA ASP 30 11.487 -0.837 -5.607 201 1HB ASP 30 1HB ASP 30 11.234 -0.637 -3.125 202 2HB ASP 30 2HB ASP 30 12.122 0.712 -3.843 203 H GLN 31 H GLN 31 8.333 0.653 -4.632 204 HA GLN 31 HA GLN 31 6.735 -1.652 -5.323 205 1HB GLN 31 1HB GLN 31 5.858 -1.616 -2.860 206 2HB GLN 31 2HB GLN 31 7.317 -2.527 -3.168 207 1HG GLN 31 1HG GLN 31 8.709 -0.959 -2.105 208 2HG GLN 31 2HG GLN 31 7.546 0.356 -2.300 209 1HE2 GLN 31 2HE2 GLN 31 5.524 0.207 -1.150 210 2HE2 GLN 31 1HE2 GLN 31 5.518 -0.479 0.482 211 H TYR 32 H TYR 32 4.461 -0.964 -4.383 212 HA TYR 32 HA TYR 32 4.079 1.848 -5.062 213 1HB TYR 32 1HB TYR 32 2.333 -0.547 -5.030 214 2HB TYR 32 2HB TYR 32 1.572 0.932 -4.466 215 HD1 TYR 32 HD1 TYR 32 3.690 -0.287 -7.331 216 HD2 TYR 32 HD2 TYR 32 0.842 2.599 -5.889 217 HE1 TYR 32 HE1 TYR 32 3.682 0.821 -9.543 218 HE2 TYR 32 HE2 TYR 32 0.890 3.743 -8.087 219 HH TYR 32 HH TYR 32 3.191 2.922 -10.526 220 H TYR 33 H TYR 33 2.617 3.101 -3.643 221 HA TYR 33 HA TYR 33 2.876 2.635 -0.714 222 1HB TYR 33 1HB TYR 33 3.916 4.899 -2.469 223 2HB TYR 33 2HB TYR 33 3.492 5.183 -0.797 224 HD1 TYR 33 HD1 TYR 33 4.570 3.686 0.987 225 HD2 TYR 33 HD2 TYR 33 6.061 3.981 -3.018 226 HE1 TYR 33 HE1 TYR 33 6.649 2.510 1.695 227 HE2 TYR 33 HE2 TYR 33 8.213 3.046 -2.263 228 HH TYR 33 HH TYR 33 9.309 1.841 -0.594 229 H ILE 34 H ILE 34 0.777 2.676 -0.081 230 HA ILE 34 HA ILE 34 -1.181 4.317 -1.443 231 HB ILE 34 HB ILE 34 -1.252 2.337 0.820 232 1HG1 ILE 34 1HG1 ILE 34 -2.980 2.524 -1.694 233 2HG1 ILE 34 2HG1 ILE 34 -1.448 1.673 -1.684 234 1HG2 ILE 34 1HG2 ILE 34 -3.450 4.303 0.089 235 2HG2 ILE 34 2HG2 ILE 34 -3.704 2.865 1.093 236 3HG2 ILE 34 3HG2 ILE 34 -2.650 4.134 1.662 237 1HD1 ILE 34 1HD1 ILE 34 -2.284 0.234 0.164 238 2HD1 ILE 34 2HD1 ILE 34 -3.880 0.984 0.013 239 3HD1 ILE 34 3HD1 ILE 34 -3.203 0.098 -1.355 240 H ASP 35 H ASP 35 -1.651 6.508 -0.616 241 HA ASP 35 HA ASP 35 -0.163 7.371 1.775 242 1HB ASP 35 1HB ASP 35 -0.876 9.093 0.039 243 2HB ASP 35 2HB ASP 35 -2.518 8.853 0.653 244 HA PRO 36 HA PRO 36 -3.375 5.114 4.073 245 1HB PRO 36 1HB PRO 36 -2.553 5.789 6.627 246 2HB PRO 36 2HB PRO 36 -1.815 4.489 5.643 247 1HG PRO 36 1HG PRO 36 -0.872 7.354 5.993 248 2HG PRO 36 2HG PRO 36 0.106 5.854 6.088 249 1HD PRO 36 1HD PRO 36 0.046 7.350 3.884 250 2HD PRO 36 2HD PRO 36 0.036 5.564 3.775 251 H ASP 37 H ASP 37 -2.531 8.577 4.399 252 HA ASP 37 HA ASP 37 -4.916 9.079 6.072 253 1HB ASP 37 1HB ASP 37 -2.970 11.043 4.871 254 2HB ASP 37 2HB ASP 37 -4.184 11.367 6.113 255 H VAL 38 H VAL 38 -3.951 9.248 2.638 256 HA VAL 38 HA VAL 38 -6.406 10.773 1.994 257 HB VAL 38 HB VAL 38 -4.392 9.546 0.115 258 1HG1 VAL 38 1HG1 VAL 38 -6.645 11.540 -0.339 259 2HG1 VAL 38 2HG1 VAL 38 -5.395 11.119 -1.527 260 3HG1 VAL 38 3HG1 VAL 38 -6.551 9.894 -0.986 261 1HG2 VAL 38 1HG2 VAL 38 -3.689 11.572 1.751 262 2HG2 VAL 38 2HG2 VAL 38 -3.258 11.571 0.039 263 3HG2 VAL 38 3HG2 VAL 38 -4.651 12.510 0.605 264 H CYS 39 H CYS 39 -5.279 7.363 2.095 265 HA CYS 39 HA CYS 39 -7.409 6.218 0.661 266 1HB CYS 39 1HB CYS 39 -5.493 4.924 1.409 267 2HB CYS 39 2HB CYS 39 -5.955 5.185 3.101 268 H ILE 40 H ILE 40 -9.545 6.125 1.001 269 HA ILE 40 HA ILE 40 -10.691 6.978 3.618 270 HB ILE 40 HB ILE 40 -12.772 7.261 2.298 271 1HG1 ILE 40 1HG1 ILE 40 -11.062 6.936 -0.201 272 2HG1 ILE 40 2HG1 ILE 40 -12.000 5.591 0.452 273 1HG2 ILE 40 1HG2 ILE 40 -10.331 8.785 1.312 274 2HG2 ILE 40 2HG2 ILE 40 -12.005 9.306 1.097 275 3HG2 ILE 40 3HG2 ILE 40 -11.326 9.168 2.728 276 1HD1 ILE 40 1HD1 ILE 40 -13.707 7.948 0.259 277 2HD1 ILE 40 2HD1 ILE 40 -12.923 7.597 -1.292 278 3HD1 ILE 40 3HD1 ILE 40 -13.882 6.347 -0.478 279 H ASP 41 H ASP 41 -9.540 4.343 3.361 280 HA ASP 41 HA ASP 41 -9.969 2.124 3.622 281 1HB ASP 41 1HB ASP 41 -11.884 3.503 5.528 282 2HB ASP 41 2HB ASP 41 -11.697 1.745 5.525 283 H CYS 42 H CYS 42 -11.140 2.934 1.270 284 HA CYS 42 HA CYS 42 -13.751 1.791 1.017 285 1HB CYS 42 1HB CYS 42 -13.618 2.336 -1.137 286 2HB CYS 42 2HB CYS 42 -12.446 3.483 -0.507 287 H GLY 43 H GLY 43 -10.610 0.368 1.190 288 1HA GLY 43 1HA GLY 43 -9.828 -1.762 1.037 289 2HA GLY 43 2HA GLY 43 -11.473 -2.362 0.737 290 H ALA 44 H ALA 44 -10.827 -3.659 -1.025 291 HA ALA 44 HA ALA 44 -11.120 -4.088 -3.222 292 1HB ALA 44 1HB ALA 44 -12.210 -1.874 -3.614 293 2HB ALA 44 2HB ALA 44 -10.612 -1.173 -3.952 294 3HB ALA 44 3HB ALA 44 -11.240 -2.470 -4.975 295 H CYS 45 H CYS 45 -8.560 -1.618 -2.762 296 HA CYS 45 HA CYS 45 -6.705 -2.659 -4.607 297 1HB CYS 45 1HB CYS 45 -5.058 -1.321 -3.450 298 2HB CYS 45 2HB CYS 45 -6.551 -0.492 -3.786 299 H GLU 46 H GLU 46 -7.301 -3.641 -1.207 300 HA GLU 46 HA GLU 46 -4.931 -5.272 -1.064 301 1HB GLU 46 1HB GLU 46 -5.614 -5.934 1.048 302 2HB GLU 46 2HB GLU 46 -6.185 -4.271 0.922 303 1HG GLU 46 1HG GLU 46 -7.914 -6.788 0.642 304 2HG GLU 46 2HG GLU 46 -7.748 -5.801 2.078 305 H ALA 47 H ALA 47 -8.334 -5.977 -1.703 306 HA ALA 47 HA ALA 47 -7.975 -8.791 -2.192 307 1HB ALA 47 1HB ALA 47 -10.167 -7.741 -1.732 308 2HB ALA 47 2HB ALA 47 -10.085 -6.879 -3.282 309 3HB ALA 47 3HB ALA 47 -10.184 -8.653 -3.256 310 H VAL 48 H VAL 48 -7.577 -5.885 -4.201 311 HA VAL 48 HA VAL 48 -7.442 -7.336 -6.693 312 HB VAL 48 HB VAL 48 -7.000 -4.499 -5.811 313 1HG1 VAL 48 1HG1 VAL 48 -6.408 -5.590 -8.577 314 2HG1 VAL 48 2HG1 VAL 48 -6.699 -3.884 -8.182 315 3HG1 VAL 48 3HG1 VAL 48 -5.301 -4.713 -7.478 316 1HG2 VAL 48 1HG2 VAL 48 -9.321 -5.474 -6.206 317 2HG2 VAL 48 2HG2 VAL 48 -8.923 -4.097 -7.249 318 3HG2 VAL 48 3HG2 VAL 48 -8.850 -5.750 -7.891 319 H CYS 49 H CYS 49 -4.899 -6.163 -4.375 320 HA CYS 49 HA CYS 49 -2.743 -6.915 -6.079 321 1HB CYS 49 1HB CYS 49 -2.558 -5.645 -3.859 322 2HB CYS 49 2HB CYS 49 -2.654 -7.259 -3.109 323 HA PRO 50 HA PRO 50 -4.022 -11.248 -6.109 324 1HB PRO 50 1HB PRO 50 -1.495 -12.134 -7.257 325 2HB PRO 50 2HB PRO 50 -3.093 -12.021 -8.026 326 1HG PRO 50 1HG PRO 50 -0.821 -10.302 -8.444 327 2HG PRO 50 2HG PRO 50 -2.458 -10.128 -9.126 328 1HD PRO 50 1HD PRO 50 -1.202 -8.578 -6.997 329 2HD PRO 50 2HD PRO 50 -2.751 -8.309 -7.836 330 H VAL 51 H VAL 51 -1.192 -9.990 -4.590 331 HA VAL 51 HA VAL 51 -0.518 -12.501 -3.194 332 HB VAL 51 HB VAL 51 1.585 -11.735 -3.123 333 1HG1 VAL 51 1HG1 VAL 51 0.943 -11.201 -5.514 334 2HG1 VAL 51 2HG1 VAL 51 0.664 -9.511 -4.999 335 3HG1 VAL 51 3HG1 VAL 51 2.280 -10.225 -4.888 336 1HG2 VAL 51 1HG2 VAL 51 0.534 -8.949 -2.554 337 2HG2 VAL 51 2HG2 VAL 51 1.291 -10.072 -1.392 338 3HG2 VAL 51 3HG2 VAL 51 2.257 -9.365 -2.688 339 H SER 52 H SER 52 -2.431 -9.657 -2.769 340 HA SER 52 HA SER 52 -3.101 -8.398 -1.036 341 1HB SER 52 1HB SER 52 -3.116 -11.072 0.404 342 2HB SER 52 2HB SER 52 -4.087 -9.636 0.792 343 HG SER 52 HG SER 52 -4.769 -9.855 -1.555 344 H ALA 53 H ALA 53 -0.659 -7.737 -1.288 345 HA ALA 53 HA ALA 53 0.997 -8.081 1.114 346 1HB ALA 53 1HB ALA 53 2.013 -7.656 -1.122 347 2HB ALA 53 2HB ALA 53 1.167 -6.103 -1.204 348 3HB ALA 53 3HB ALA 53 2.419 -6.377 0.026 349 H ILE 54 H ILE 54 -1.751 -6.243 0.301 350 HA ILE 54 HA ILE 54 -0.976 -3.831 1.734 351 HB ILE 54 HB ILE 54 -3.620 -4.460 0.421 352 1HG1 ILE 54 1HG1 ILE 54 -1.000 -3.625 -0.859 353 2HG1 ILE 54 2HG1 ILE 54 -2.097 -4.920 -1.327 354 1HG2 ILE 54 1HG2 ILE 54 -3.483 -2.510 1.932 355 2HG2 ILE 54 2HG2 ILE 54 -2.181 -1.843 0.934 356 3HG2 ILE 54 3HG2 ILE 54 -3.825 -2.032 0.272 357 1HD1 ILE 54 1HD1 ILE 54 -3.813 -3.067 -1.851 358 2HD1 ILE 54 2HD1 ILE 54 -2.421 -1.964 -1.799 359 3HD1 ILE 54 3HD1 ILE 54 -2.449 -3.298 -2.959 360 H TYR 55 H TYR 55 -1.648 -3.409 3.826 361 HA TYR 55 HA TYR 55 -3.819 -5.025 5.062 362 1HB TYR 55 1HB TYR 55 -0.974 -4.524 5.987 363 2HB TYR 55 2HB TYR 55 -2.226 -5.092 7.071 364 HD1 TYR 55 HD1 TYR 55 -3.517 -7.299 6.176 365 HD2 TYR 55 HD2 TYR 55 0.415 -6.066 4.892 366 HE1 TYR 55 HE1 TYR 55 -3.131 -9.535 5.181 367 HE2 TYR 55 HE2 TYR 55 0.790 -8.301 3.905 368 HH TYR 55 HH TYR 55 -0.932 -10.101 2.890 369 H HIS 56 H HIS 56 -4.100 -3.920 7.387 370 HA HIS 56 HA HIS 56 -4.370 -1.030 6.945 371 1HB HIS 56 1HB HIS 56 -5.964 -2.682 8.291 372 2HB HIS 56 2HB HIS 56 -4.770 -2.494 9.566 373 HD1 HIS 56 HD1 HIS 56 -5.299 -0.511 11.167 374 HD2 HIS 56 HD2 HIS 56 -6.947 -0.157 7.309 375 HE1 HIS 56 HE1 HIS 56 -6.633 1.656 11.145 376 H GLU 57 H GLU 57 -3.011 0.570 8.017 377 HA GLU 57 HA GLU 57 -0.418 -0.177 8.693 378 1HB GLU 57 1HB GLU 57 -2.199 2.112 9.828 379 2HB GLU 57 2HB GLU 57 -0.447 2.030 9.990 380 1HG GLU 57 1HG GLU 57 -0.180 2.358 7.611 381 2HG GLU 57 2HG GLU 57 -1.954 2.494 7.458 382 H ASP 58 H ASP 58 -3.132 -0.100 10.859 383 HA ASP 58 HA ASP 58 -1.637 -0.634 13.211 384 1HB ASP 58 1HB ASP 58 -4.022 0.044 13.235 385 2HB ASP 58 2HB ASP 58 -4.442 -1.532 12.500 386 H PHE 59 H PHE 59 -2.628 -2.749 10.593 387 HA PHE 59 HA PHE 59 -2.564 -5.192 12.244 388 1HB PHE 59 1HB PHE 59 -3.028 -4.653 9.288 389 2HB PHE 59 2HB PHE 59 -3.072 -6.219 10.052 390 HD1 PHE 59 HD1 PHE 59 -4.613 -4.174 12.483 391 HD2 PHE 59 HD2 PHE 59 -5.304 -5.914 8.577 392 HE1 PHE 59 HE1 PHE 59 -7.010 -3.814 12.745 393 HE2 PHE 59 HE2 PHE 59 -7.735 -5.543 8.864 394 HZ PHE 59 HZ PHE 59 -8.597 -4.470 10.935 395 H VAL 60 H VAL 60 -0.556 -3.465 9.899 396 HA VAL 60 HA VAL 60 1.095 -5.603 9.156 397 HB VAL 60 HB VAL 60 1.525 -2.607 9.314 398 1HG1 VAL 60 1HG1 VAL 60 3.412 -4.795 8.298 399 2HG1 VAL 60 2HG1 VAL 60 3.576 -3.099 7.843 400 3HG1 VAL 60 3HG1 VAL 60 3.771 -3.560 9.531 401 1HG2 VAL 60 1HG2 VAL 60 1.056 -4.664 7.106 402 2HG2 VAL 60 2HG2 VAL 60 -0.086 -3.436 7.699 403 3HG2 VAL 60 3HG2 VAL 60 1.353 -2.953 6.813 404 HA PRO 61 HA PRO 61 3.105 -6.596 13.055 405 1HB PRO 61 1HB PRO 61 5.315 -7.476 11.183 406 2HB PRO 61 2HB PRO 61 4.673 -8.323 12.617 407 1HG PRO 61 1HG PRO 61 3.892 -9.084 10.130 408 2HG PRO 61 2HG PRO 61 2.677 -8.937 11.437 409 1HD PRO 61 1HD PRO 61 3.278 -6.979 9.220 410 2HD PRO 61 2HD PRO 61 1.705 -7.528 9.884 411 H GLU 62 H GLU 62 4.646 -5.575 14.432 412 HA GLU 62 HA GLU 62 5.540 -3.087 14.142 413 1HB GLU 62 1HB GLU 62 6.249 -5.605 15.692 414 2HB GLU 62 2HB GLU 62 7.165 -4.155 15.913 415 1HG GLU 62 1HG GLU 62 5.307 -4.381 17.570 416 2HG GLU 62 2HG GLU 62 5.214 -2.887 16.629 417 H GLU 63 H GLU 63 7.421 -6.059 13.334 418 HA GLU 63 HA GLU 63 9.895 -4.971 12.638 419 1HB GLU 63 1HB GLU 63 8.342 -7.137 11.171 420 2HB GLU 63 2HB GLU 63 10.077 -6.834 11.083 421 1HG GLU 63 1HG GLU 63 10.077 -8.546 12.579 422 2HG GLU 63 2HG GLU 63 9.974 -7.208 13.726 423 H TRP 64 H TRP 64 6.894 -5.129 10.752 424 HA TRP 64 HA TRP 64 8.099 -3.721 8.435 425 1HB TRP 64 1HB TRP 64 5.614 -5.373 8.877 426 2HB TRP 64 2HB TRP 64 5.851 -4.404 7.427 427 HD1 TRP 64 HD1 TRP 64 9.181 -5.629 7.832 428 HE1 TRP 64 HE1 TRP 64 9.589 -7.673 6.306 429 HE3 TRP 64 HE3 TRP 64 4.320 -6.998 6.893 430 HZ2 TRP 64 HZ2 TRP 64 8.068 -9.674 5.007 431 HZ3 TRP 64 HZ3 TRP 64 3.852 -8.911 5.392 432 HH2 TRP 64 HH2 TRP 64 5.758 -10.164 4.337 433 H LYS 65 H LYS 65 6.341 -2.825 11.314 434 HA LYS 65 HA LYS 65 4.818 -0.743 10.199 435 1HB LYS 65 1HB LYS 65 5.984 -1.374 12.911 436 2HB LYS 65 2HB LYS 65 5.285 0.145 12.591 437 1HG LYS 65 1HG LYS 65 3.188 -1.063 11.700 438 2HG LYS 65 2HG LYS 65 3.893 -2.529 12.393 439 1HD LYS 65 1HD LYS 65 3.793 -1.533 14.654 440 2HD LYS 65 2HD LYS 65 3.390 0.039 13.962 441 1HE LYS 65 1HE LYS 65 1.367 -0.822 14.862 442 2HE LYS 65 2HE LYS 65 1.224 -0.889 13.102 443 1HZ LYS 65 1HZ LYS 65 1.799 -3.269 13.296 444 2HZ LYS 65 2HZ LYS 65 1.803 -3.128 14.935 445 3HZ LYS 65 3HZ LYS 65 0.401 -2.896 14.058 446 H SER 66 H SER 66 8.227 -1.216 10.285 447 HA SER 66 HA SER 66 9.243 1.426 10.158 448 1HB SER 66 1HB SER 66 10.883 0.201 8.563 449 2HB SER 66 2HB SER 66 10.737 -0.446 10.210 450 HG SER 66 HG SER 66 9.998 -2.253 9.382 451 H TYR 67 H TYR 67 7.722 -0.721 7.683 452 HA TYR 67 HA TYR 67 7.875 1.218 5.555 453 1HB TYR 67 1HB TYR 67 5.964 -1.111 5.863 454 2HB TYR 67 2HB TYR 67 6.181 -0.109 4.432 455 HD1 TYR 67 HD1 TYR 67 8.458 -0.067 3.265 456 HD2 TYR 67 HD2 TYR 67 7.367 -3.034 6.194 457 HE1 TYR 67 HE1 TYR 67 10.253 -1.560 2.434 458 HE2 TYR 67 HE2 TYR 67 9.195 -4.494 5.400 459 HH TYR 67 HH TYR 67 10.829 -4.829 3.759 460 H ILE 68 H ILE 68 5.504 0.731 8.245 461 HA ILE 68 HA ILE 68 3.419 2.272 7.006 462 HB ILE 68 HB ILE 68 4.109 1.334 9.805 463 1HG1 ILE 68 1HG1 ILE 68 2.150 0.090 9.651 464 2HG1 ILE 68 2HG1 ILE 68 1.546 1.036 8.280 465 1HG2 ILE 68 1HG2 ILE 68 2.006 3.357 9.127 466 2HG2 ILE 68 2HG2 ILE 68 2.048 2.389 10.622 467 3HG2 ILE 68 3HG2 ILE 68 3.365 3.515 10.269 468 1HD1 ILE 68 1HD1 ILE 68 3.946 -0.829 8.137 469 2HD1 ILE 68 2HD1 ILE 68 2.298 -1.238 7.680 470 3HD1 ILE 68 3HD1 ILE 68 3.154 -0.012 6.767 471 H GLN 69 H GLN 69 6.101 3.003 9.279 472 HA GLN 69 HA GLN 69 5.635 5.771 9.333 473 1HB GLN 69 1HB GLN 69 7.258 4.487 10.771 474 2HB GLN 69 2HB GLN 69 8.372 4.433 9.398 475 1HG GLN 69 1HG GLN 69 8.977 6.253 10.894 476 2HG GLN 69 2HG GLN 69 8.428 6.923 9.352 477 1HE2 GLN 69 2HE2 GLN 69 6.663 8.330 9.338 478 2HE2 GLN 69 1HE2 GLN 69 5.818 8.781 10.815 479 H LYS 70 H LYS 70 7.461 3.828 6.915 480 HA LYS 70 HA LYS 70 8.330 6.094 5.458 481 1HB LYS 70 1HB LYS 70 9.289 3.762 5.231 482 2HB LYS 70 2HB LYS 70 7.803 3.296 4.433 483 1HG LYS 70 1HG LYS 70 9.329 3.559 2.732 484 2HG LYS 70 2HG LYS 70 8.264 4.931 2.614 485 1HD LYS 70 1HD LYS 70 11.079 4.908 3.807 486 2HD LYS 70 2HD LYS 70 10.691 5.372 2.160 487 1HE LYS 70 1HE LYS 70 10.118 6.931 4.704 488 2HE LYS 70 2HE LYS 70 11.112 7.368 3.340 489 1HZ LYS 70 1HZ LYS 70 9.120 7.582 1.982 490 2HZ LYS 70 2HZ LYS 70 8.159 7.220 3.279 491 3HZ LYS 70 3HZ LYS 70 9.107 8.550 3.320 492 H ASN 71 H ASN 71 5.575 3.987 4.926 493 HA ASN 71 HA ASN 71 4.352 5.217 2.662 494 1HB ASN 71 1HB ASN 71 3.286 3.648 4.974 495 2HB ASN 71 2HB ASN 71 2.178 4.409 3.848 496 1HD2 ASN 71 2HD2 ASN 71 4.816 1.983 4.003 497 2HD2 ASN 71 1HD2 ASN 71 4.145 0.983 2.718 498 H ARG 72 H ARG 72 4.200 5.979 6.137 499 HA ARG 72 HA ARG 72 2.088 7.874 6.141 500 1HB ARG 72 1HB ARG 72 3.098 6.650 8.003 501 2HB ARG 72 2HB ARG 72 4.474 7.718 7.991 502 1HG ARG 72 1HG ARG 72 3.418 9.275 9.151 503 2HG ARG 72 2HG ARG 72 2.068 9.334 8.008 504 1HD ARG 72 1HD ARG 72 2.431 7.113 10.077 505 2HD ARG 72 2HD ARG 72 1.535 8.572 10.442 506 HE ARG 72 HE ARG 72 0.690 6.385 8.569 507 1HH1 ARG 72 1HH1 ARG 72 0.251 9.825 9.215 508 2HH1 ARG 72 2HH1 ARG 72 -1.420 9.756 8.676 509 1HH2 ARG 72 1HH2 ARG 72 -1.765 6.333 8.575 510 2HH2 ARG 72 2HH2 ARG 72 -2.465 7.954 8.274 511 H ASP 73 H ASP 73 5.621 8.067 6.299 512 HA ASP 73 HA ASP 73 6.112 10.784 6.287 513 1HB ASP 73 1HB ASP 73 7.681 9.118 7.039 514 2HB ASP 73 2HB ASP 73 7.678 8.309 5.479 515 H PHE 74 H PHE 74 6.072 8.538 3.529 516 HA PHE 74 HA PHE 74 7.310 9.864 1.526 517 1HB PHE 74 1HB PHE 74 5.113 7.968 1.603 518 2HB PHE 74 2HB PHE 74 5.044 9.063 0.233 519 HD1 PHE 74 HD1 PHE 74 6.942 9.372 -1.333 520 HD2 PHE 74 HD2 PHE 74 6.614 6.058 1.386 521 HE1 PHE 74 HE1 PHE 74 8.627 8.111 -2.639 522 HE2 PHE 74 HE2 PHE 74 8.577 4.972 0.278 523 HZ PHE 74 HZ PHE 74 9.559 5.984 -1.739 524 H PHE 75 H PHE 75 3.938 10.517 2.386 525 HA PHE 75 HA PHE 75 3.884 12.850 0.554 526 1HB PHE 75 1HB PHE 75 1.584 11.637 1.988 527 2HB PHE 75 2HB PHE 75 1.565 12.558 0.499 528 HD1 PHE 75 HD1 PHE 75 2.896 11.474 -1.525 529 HD2 PHE 75 HD2 PHE 75 1.666 9.256 1.969 530 HE1 PHE 75 HE1 PHE 75 3.431 9.345 -2.675 531 HE2 PHE 75 HE2 PHE 75 2.130 7.137 0.790 532 HZ PHE 75 HZ PHE 75 3.048 7.183 -1.517 533 H LYS 76 H LYS 76 4.280 12.206 3.915 534 HA LYS 76 HA LYS 76 3.119 14.829 4.773 535 1HB LYS 76 1HB LYS 76 4.029 12.301 6.189 536 2HB LYS 76 2HB LYS 76 4.243 13.862 6.960 537 1HG LYS 76 1HG LYS 76 2.285 13.252 7.836 538 2HG LYS 76 2HG LYS 76 1.741 14.324 6.553 539 1HD LYS 76 1HD LYS 76 1.790 11.266 6.423 540 2HD LYS 76 2HD LYS 76 0.420 12.224 6.972 541 1HE LYS 76 1HE LYS 76 0.144 13.257 4.771 542 2HE LYS 76 2HE LYS 76 1.557 12.388 4.165 543 1HZ LYS 76 1HZ LYS 76 -0.835 11.038 5.152 544 2HZ LYS 76 2HZ LYS 76 -0.491 11.258 3.544 545 3HZ LYS 76 3HZ LYS 76 0.443 10.327 4.479 546 H LYS 77 H LYS 77 4.668 15.898 3.229 547 HA LYS 77 HA LYS 77 7.333 16.227 4.339 548 1HB LYS 77 1HB LYS 77 7.127 14.052 2.814 549 2HB LYS 77 2HB LYS 77 6.883 15.190 1.511 550 1HG LYS 77 1HG LYS 77 9.190 14.557 1.505 551 2HG LYS 77 2HG LYS 77 9.069 16.248 1.996 552 1HD LYS 77 1HD LYS 77 10.753 15.080 3.280 553 2HD LYS 77 2HD LYS 77 9.489 15.640 4.354 554 1HE LYS 77 1HE LYS 77 9.656 12.746 3.289 555 2HE LYS 77 2HE LYS 77 10.438 13.295 4.770 556 1HZ LYS 77 1HZ LYS 77 7.934 14.026 5.299 557 2HZ LYS 77 2HZ LYS 77 7.659 12.775 4.305 558 3HZ LYS 77 3HZ LYS 77 8.602 12.541 5.600 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -5.941 2.224 8.101 2 2H ALA 1 2H ALA 1 -5.811 3.727 8.280 3 3H ALA 1 3H ALA 1 -7.125 3.129 7.808 4 HA ALA 1 HA ALA 1 -6.459 3.117 5.523 5 1HB ALA 1 1HB ALA 1 -5.270 5.098 6.195 6 2HB ALA 1 2HB ALA 1 -3.809 4.129 6.561 7 3HB ALA 1 3HB ALA 1 -4.449 4.197 4.903 8 H TYR 2 H TYR 2 -4.886 2.127 3.952 9 HA TYR 2 HA TYR 2 -3.904 -0.502 4.951 10 1HB TYR 2 1HB TYR 2 -5.175 0.435 2.374 11 2HB TYR 2 2HB TYR 2 -4.129 -0.965 2.387 12 HD1 TYR 2 HD1 TYR 2 -7.248 0.397 3.953 13 HD2 TYR 2 HD2 TYR 2 -4.893 -3.107 3.062 14 HE1 TYR 2 HE1 TYR 2 -9.236 -1.044 4.315 15 HE2 TYR 2 HE2 TYR 2 -6.893 -4.522 3.357 16 HH TYR 2 HH TYR 2 -9.343 -4.171 3.004 17 H VAL 3 H VAL 3 -1.925 -1.223 4.392 18 HA VAL 3 HA VAL 3 -0.119 0.524 2.771 19 HB VAL 3 HB VAL 3 0.459 -0.524 5.573 20 1HG1 VAL 3 1HG1 VAL 3 2.252 0.933 3.588 21 2HG1 VAL 3 2HG1 VAL 3 2.619 0.742 5.313 22 3HG1 VAL 3 3HG1 VAL 3 2.512 -0.682 4.291 23 1HG2 VAL 3 1HG2 VAL 3 0.054 2.259 4.402 24 2HG2 VAL 3 2HG2 VAL 3 -0.895 1.478 5.691 25 3HG2 VAL 3 3HG2 VAL 3 0.767 1.982 5.994 26 H ILE 4 H ILE 4 1.402 -0.490 1.530 27 HA ILE 4 HA ILE 4 0.955 -3.175 0.785 28 HB ILE 4 HB ILE 4 2.487 -2.804 -0.865 29 1HG1 ILE 4 1HG1 ILE 4 4.446 -1.929 0.284 30 2HG1 ILE 4 2HG1 ILE 4 4.052 -1.099 -1.194 31 1HG2 ILE 4 1HG2 ILE 4 0.882 -0.279 -0.395 32 2HG2 ILE 4 2HG2 ILE 4 1.839 -0.557 -1.850 33 3HG2 ILE 4 3HG2 ILE 4 0.536 -1.672 -1.426 34 1HD1 ILE 4 1HD1 ILE 4 2.996 0.758 0.127 35 2HD1 ILE 4 2HD1 ILE 4 3.569 -0.025 1.613 36 3HD1 ILE 4 3HD1 ILE 4 4.729 0.542 0.408 37 H THR 5 H THR 5 3.424 -1.625 2.715 38 HA THR 5 HA THR 5 5.110 -2.238 3.963 39 HB THR 5 HB THR 5 5.182 -4.308 5.177 40 HG1 THR 5 HG1 THR 5 3.115 -5.142 3.426 41 1HG2 THR 5 1HG2 THR 5 3.685 -2.497 5.908 42 2HG2 THR 5 2HG2 THR 5 2.338 -3.245 5.004 43 3HG2 THR 5 3HG2 THR 5 3.124 -4.128 6.334 44 H GLU 6 H GLU 6 5.319 -5.516 3.089 45 HA GLU 6 HA GLU 6 7.921 -4.930 1.762 46 1HB GLU 6 1HB GLU 6 8.078 -5.536 4.007 47 2HB GLU 6 2HB GLU 6 7.316 -7.095 3.740 48 1HG GLU 6 1HG GLU 6 9.190 -7.908 2.596 49 2HG GLU 6 2HG GLU 6 9.732 -6.287 2.175 50 HA PRO 7 HA PRO 7 6.654 -8.802 -0.487 51 1HB PRO 7 1HB PRO 7 3.836 -9.603 0.087 52 2HB PRO 7 2HB PRO 7 5.323 -10.567 0.209 53 1HG PRO 7 1HG PRO 7 3.946 -9.690 2.431 54 2HG PRO 7 2HG PRO 7 5.730 -9.835 2.394 55 1HD PRO 7 1HD PRO 7 4.074 -7.340 1.895 56 2HD PRO 7 2HD PRO 7 5.412 -7.576 3.030 57 H CYS 8 H CYS 8 6.796 -7.047 -1.783 58 HA CYS 8 HA CYS 8 4.976 -6.642 -3.957 59 1HB CYS 8 1HB CYS 8 3.633 -5.376 -2.369 60 2HB CYS 8 2HB CYS 8 5.068 -4.556 -1.765 61 H ILE 9 H ILE 9 7.633 -5.305 -1.876 62 HA ILE 9 HA ILE 9 8.920 -3.715 -3.699 63 HB ILE 9 HB ILE 9 9.756 -5.309 -1.290 64 1HG1 ILE 9 1HG1 ILE 9 10.348 -2.936 -0.570 65 2HG1 ILE 9 2HG1 ILE 9 9.679 -2.361 -2.107 66 1HG2 ILE 9 1HG2 ILE 9 11.789 -5.414 -2.675 67 2HG2 ILE 9 2HG2 ILE 9 11.696 -3.640 -2.895 68 3HG2 ILE 9 3HG2 ILE 9 11.935 -4.334 -1.281 69 1HD1 ILE 9 1HD1 ILE 9 8.206 -3.968 -0.068 70 2HD1 ILE 9 2HD1 ILE 9 8.186 -2.193 -0.098 71 3HD1 ILE 9 3HD1 ILE 9 7.470 -3.112 -1.446 72 H GLY 10 H GLY 10 10.549 -3.797 -5.121 73 1HA GLY 10 1HA GLY 10 11.824 -4.598 -6.789 74 2HA GLY 10 2HA GLY 10 11.815 -6.204 -6.032 75 H THR 11 H THR 11 8.893 -4.383 -7.098 76 HA THR 11 HA THR 11 8.616 -5.775 -9.610 77 HB THR 11 HB THR 11 6.878 -6.492 -7.266 78 HG1 THR 11 HG1 THR 11 8.968 -7.688 -7.800 79 1HG2 THR 11 1HG2 THR 11 6.676 -7.049 -10.236 80 2HG2 THR 11 2HG2 THR 11 5.752 -7.958 -9.007 81 3HG2 THR 11 3HG2 THR 11 5.509 -6.208 -9.195 82 H LYS 12 H LYS 12 8.205 -3.784 -10.624 83 HA LYS 12 HA LYS 12 6.867 -1.591 -9.520 84 1HB LYS 12 1HB LYS 12 7.049 -2.450 -12.442 85 2HB LYS 12 2HB LYS 12 6.355 -0.926 -11.876 86 1HG LYS 12 1HG LYS 12 8.605 -0.529 -10.649 87 2HG LYS 12 2HG LYS 12 9.230 -1.866 -11.599 88 1HD LYS 12 1HD LYS 12 9.834 0.114 -12.766 89 2HD LYS 12 2HD LYS 12 8.526 -0.627 -13.693 90 1HE LYS 12 1HE LYS 12 8.193 1.772 -13.627 91 2HE LYS 12 2HE LYS 12 6.915 1.056 -12.647 92 1HZ LYS 12 1HZ LYS 12 9.405 2.283 -11.608 93 2HZ LYS 12 2HZ LYS 12 7.861 2.936 -11.541 94 3HZ LYS 12 3HZ LYS 12 8.260 1.619 -10.685 95 H CYS 13 H CYS 13 5.443 -4.370 -11.188 96 HA CYS 13 HA CYS 13 3.402 -5.317 -11.099 97 1HB CYS 13 1HB CYS 13 3.672 -5.245 -8.753 98 2HB CYS 13 2HB CYS 13 3.206 -3.561 -8.722 99 H ALA 14 H ALA 14 2.620 -1.976 -10.175 100 HA ALA 14 HA ALA 14 0.984 -0.540 -10.804 101 1HB ALA 14 1HB ALA 14 2.526 -0.419 -12.747 102 2HB ALA 14 2HB ALA 14 1.525 -1.618 -13.597 103 3HB ALA 14 3HB ALA 14 0.847 -0.036 -13.169 104 H SER 15 H SER 15 -0.056 -2.915 -9.784 105 HA SER 15 HA SER 15 -2.620 -3.221 -11.305 106 1HB SER 15 1HB SER 15 -1.653 -4.803 -8.909 107 2HB SER 15 2HB SER 15 -3.102 -5.091 -9.878 108 HG SER 15 HG SER 15 -0.454 -5.064 -10.928 109 H CYS 16 H CYS 16 -1.443 -2.378 -7.970 110 HA CYS 16 HA CYS 16 -4.102 -1.421 -7.229 111 1HB CYS 16 1HB CYS 16 -3.070 -0.722 -5.169 112 2HB CYS 16 2HB CYS 16 -2.924 -2.452 -5.491 113 H VAL 17 H VAL 17 -4.131 -0.115 -9.269 114 HA VAL 17 HA VAL 17 -3.773 2.663 -8.649 115 HB VAL 17 HB VAL 17 -1.529 2.392 -9.286 116 1HG1 VAL 17 1HG1 VAL 17 -2.446 0.714 -11.647 117 2HG1 VAL 17 2HG1 VAL 17 -0.789 1.312 -11.407 118 3HG1 VAL 17 3HG1 VAL 17 -1.489 0.193 -10.236 119 1HG2 VAL 17 1HG2 VAL 17 -2.652 4.317 -10.409 120 2HG2 VAL 17 2HG2 VAL 17 -1.227 3.707 -11.264 121 3HG2 VAL 17 3HG2 VAL 17 -2.844 3.310 -11.864 122 H GLU 18 H GLU 18 -4.965 4.049 -10.181 123 HA GLU 18 HA GLU 18 -6.713 4.555 -11.353 124 1HB GLU 18 1HB GLU 18 -5.111 3.458 -13.126 125 2HB GLU 18 2HB GLU 18 -6.312 2.160 -13.126 126 1HG GLU 18 1HG GLU 18 -8.051 4.035 -13.534 127 2HG GLU 18 2HG GLU 18 -6.684 5.119 -13.802 128 H VAL 19 H VAL 19 -7.046 2.813 -9.125 129 HA VAL 19 HA VAL 19 -9.788 1.782 -9.667 130 HB VAL 19 HB VAL 19 -8.210 -0.087 -9.871 131 1HG1 VAL 19 1HG1 VAL 19 -6.469 0.677 -8.236 132 2HG1 VAL 19 2HG1 VAL 19 -7.585 0.301 -6.907 133 3HG1 VAL 19 3HG1 VAL 19 -7.000 -0.988 -7.967 134 1HG2 VAL 19 1HG2 VAL 19 -10.592 -0.303 -8.951 135 2HG2 VAL 19 2HG2 VAL 19 -9.477 -1.642 -8.641 136 3HG2 VAL 19 3HG2 VAL 19 -9.848 -0.481 -7.349 137 H CYS 20 H CYS 20 -7.396 2.867 -7.223 138 HA CYS 20 HA CYS 20 -9.062 2.739 -5.039 139 1HB CYS 20 1HB CYS 20 -6.658 2.975 -4.885 140 2HB CYS 20 2HB CYS 20 -6.784 4.472 -5.790 141 HA PRO 21 HA PRO 21 -12.206 5.753 -5.909 142 1HB PRO 21 1HB PRO 21 -11.998 6.577 -3.031 143 2HB PRO 21 2HB PRO 21 -13.429 6.048 -3.951 144 1HG PRO 21 1HG PRO 21 -12.012 4.455 -2.142 145 2HG PRO 21 2HG PRO 21 -12.983 3.807 -3.490 146 1HD PRO 21 1HD PRO 21 -10.031 3.932 -3.246 147 2HD PRO 21 2HD PRO 21 -11.069 2.950 -4.326 148 H VAL 22 H VAL 22 -9.369 6.832 -4.048 149 HA VAL 22 HA VAL 22 -9.639 9.582 -5.202 150 HB VAL 22 HB VAL 22 -8.640 10.416 -3.103 151 1HG1 VAL 22 1HG1 VAL 22 -11.167 10.281 -3.566 152 2HG1 VAL 22 2HG1 VAL 22 -11.189 8.917 -2.432 153 3HG1 VAL 22 3HG1 VAL 22 -10.650 10.517 -1.888 154 1HG2 VAL 22 1HG2 VAL 22 -7.582 8.277 -2.325 155 2HG2 VAL 22 2HG2 VAL 22 -8.599 9.033 -1.084 156 3HG2 VAL 22 3HG2 VAL 22 -9.193 7.623 -1.972 157 H ASP 23 H ASP 23 -8.151 7.036 -6.014 158 HA ASP 23 HA ASP 23 -6.094 6.358 -6.618 159 1HB ASP 23 1HB ASP 23 -7.212 8.124 -8.239 160 2HB ASP 23 2HB ASP 23 -5.757 9.060 -7.879 161 H CYS 24 H CYS 24 -5.716 6.911 -4.031 162 HA CYS 24 HA CYS 24 -3.363 8.682 -3.688 163 1HB CYS 24 1HB CYS 24 -3.644 8.383 -1.377 164 2HB CYS 24 2HB CYS 24 -5.206 8.818 -2.095 165 HG CYS 24 HG CYS 24 -4.056 5.867 -1.116 166 H ILE 25 H ILE 25 -2.738 6.740 -5.394 167 HA ILE 25 HA ILE 25 -0.976 4.879 -3.908 168 HB ILE 25 HB ILE 25 -1.478 3.358 -6.044 169 1HG1 ILE 25 1HG1 ILE 25 -3.884 3.142 -6.429 170 2HG1 ILE 25 2HG1 ILE 25 -4.222 4.610 -5.524 171 1HG2 ILE 25 1HG2 ILE 25 -3.149 3.404 -3.519 172 2HG2 ILE 25 2HG2 ILE 25 -2.996 2.004 -4.598 173 3HG2 ILE 25 3HG2 ILE 25 -1.567 2.609 -3.754 174 1HD1 ILE 25 1HD1 ILE 25 -2.384 4.569 -7.963 175 2HD1 ILE 25 2HD1 ILE 25 -4.137 4.788 -8.070 176 3HD1 ILE 25 3HD1 ILE 25 -3.169 5.985 -7.224 177 H HIS 26 H HIS 26 1.089 5.179 -4.494 178 HA HIS 26 HA HIS 26 1.708 6.717 -6.976 179 1HB HIS 26 1HB HIS 26 2.717 6.915 -4.104 180 2HB HIS 26 2HB HIS 26 3.220 7.933 -5.450 181 HD1 HIS 26 HD1 HIS 26 0.880 9.296 -6.593 182 HD2 HIS 26 HD2 HIS 26 0.640 7.706 -2.712 183 HE1 HIS 26 HE1 HIS 26 -1.202 10.297 -5.521 184 H GLU 27 H GLU 27 4.129 6.390 -7.512 185 HA GLU 27 HA GLU 27 5.073 3.689 -6.705 186 1HB GLU 27 1HB GLU 27 5.927 5.561 -8.939 187 2HB GLU 27 2HB GLU 27 6.803 4.092 -8.469 188 1HG GLU 27 1HG GLU 27 4.837 2.720 -8.804 189 2HG GLU 27 2HG GLU 27 3.907 4.157 -9.277 190 H GLY 28 H GLY 28 6.851 3.326 -5.586 191 1HA GLY 28 1HA GLY 28 8.444 5.578 -4.436 192 2HA GLY 28 2HA GLY 28 8.670 3.832 -4.146 193 H GLU 29 H GLU 29 8.672 2.720 -6.429 194 HA GLU 29 HA GLU 29 9.504 3.682 -8.790 195 1HB GLU 29 1HB GLU 29 11.639 4.406 -7.973 196 2HB GLU 29 2HB GLU 29 11.966 2.865 -7.173 197 1HG GLU 29 1HG GLU 29 13.110 3.497 -9.455 198 2HG GLU 29 2HG GLU 29 12.563 1.839 -9.186 199 H ASP 30 H ASP 30 10.857 0.946 -6.827 200 HA ASP 30 HA ASP 30 9.982 -1.002 -8.792 201 1HB ASP 30 1HB ASP 30 11.270 -2.490 -7.380 202 2HB ASP 30 2HB ASP 30 12.193 -0.996 -7.602 203 H GLN 31 H GLN 31 8.008 0.555 -6.639 204 HA GLN 31 HA GLN 31 6.243 -1.645 -6.190 205 1HB GLN 31 1HB GLN 31 6.348 -1.389 -3.693 206 2HB GLN 31 2HB GLN 31 7.723 -2.185 -4.406 207 1HG GLN 31 1HG GLN 31 9.223 -0.633 -3.739 208 2HG GLN 31 2HG GLN 31 8.218 0.728 -4.196 209 1HE2 GLN 31 2HE2 GLN 31 5.970 0.312 -2.634 210 2HE2 GLN 31 1HE2 GLN 31 6.412 0.535 -0.949 211 H TYR 32 H TYR 32 4.244 -0.798 -5.378 212 HA TYR 32 HA TYR 32 3.953 2.092 -5.712 213 1HB TYR 32 1HB TYR 32 2.000 -0.172 -5.528 214 2HB TYR 32 2HB TYR 32 1.481 1.432 -5.066 215 HD1 TYR 32 HD1 TYR 32 3.357 -0.234 -7.894 216 HD2 TYR 32 HD2 TYR 32 0.679 2.910 -6.666 217 HE1 TYR 32 HE1 TYR 32 3.333 0.663 -10.202 218 HE2 TYR 32 HE2 TYR 32 0.594 3.749 -8.990 219 HH TYR 32 HH TYR 32 2.902 2.768 -11.341 220 H TYR 33 H TYR 33 2.768 3.316 -4.111 221 HA TYR 33 HA TYR 33 3.276 2.693 -1.238 222 1HB TYR 33 1HB TYR 33 4.188 4.974 -2.998 223 2HB TYR 33 2HB TYR 33 3.579 5.346 -1.397 224 HD1 TYR 33 HD1 TYR 33 6.218 3.417 -3.179 225 HD2 TYR 33 HD2 TYR 33 4.781 4.929 0.569 226 HE1 TYR 33 HE1 TYR 33 8.349 2.765 -2.096 227 HE2 TYR 33 HE2 TYR 33 6.798 4.037 1.710 228 HH TYR 33 HH TYR 33 9.102 1.975 -0.057 229 H ILE 34 H ILE 34 1.156 2.635 -0.458 230 HA ILE 34 HA ILE 34 -0.954 4.231 -1.660 231 HB ILE 34 HB ILE 34 -0.768 2.355 0.725 232 1HG1 ILE 34 1HG1 ILE 34 -2.605 2.157 -1.696 233 2HG1 ILE 34 2HG1 ILE 34 -0.979 1.468 -1.706 234 1HG2 ILE 34 1HG2 ILE 34 -3.072 4.159 -0.091 235 2HG2 ILE 34 2HG2 ILE 34 -3.285 2.745 0.960 236 3HG2 ILE 34 3HG2 ILE 34 -2.265 4.066 1.489 237 1HD1 ILE 34 1HD1 ILE 34 -1.567 0.076 0.258 238 2HD1 ILE 34 2HD1 ILE 34 -3.233 0.699 0.192 239 3HD1 ILE 34 3HD1 ILE 34 -2.592 -0.221 -1.166 240 H ASP 35 H ASP 35 -1.569 6.321 -0.714 241 HA ASP 35 HA ASP 35 0.185 7.396 1.404 242 1HB ASP 35 1HB ASP 35 -0.830 8.891 -0.392 243 2HB ASP 35 2HB ASP 35 -2.372 8.671 0.478 244 HA PRO 36 HA PRO 36 -2.819 5.216 3.994 245 1HB PRO 36 1HB PRO 36 -1.424 5.441 6.367 246 2HB PRO 36 2HB PRO 36 -1.229 4.101 5.201 247 1HG PRO 36 1HG PRO 36 0.577 6.345 5.892 248 2HG PRO 36 2HG PRO 36 0.920 4.857 4.987 249 1HD PRO 36 1HD PRO 36 0.357 7.554 3.948 250 2HD PRO 36 2HD PRO 36 0.807 6.109 3.051 251 H ASP 37 H ASP 37 -1.870 8.466 4.136 252 HA ASP 37 HA ASP 37 -3.854 9.146 6.279 253 1HB ASP 37 1HB ASP 37 -1.999 10.395 6.629 254 2HB ASP 37 2HB ASP 37 -1.627 10.585 4.934 255 H VAL 38 H VAL 38 -3.309 9.389 2.682 256 HA VAL 38 HA VAL 38 -5.928 10.731 2.504 257 HB VAL 38 HB VAL 38 -4.174 9.809 0.218 258 1HG1 VAL 38 1HG1 VAL 38 -6.557 11.672 0.394 259 2HG1 VAL 38 2HG1 VAL 38 -5.533 11.422 -1.045 260 3HG1 VAL 38 3HG1 VAL 38 -6.514 10.092 -0.428 261 1HG2 VAL 38 1HG2 VAL 38 -4.225 12.253 1.993 262 2HG2 VAL 38 2HG2 VAL 38 -2.880 11.499 1.131 263 3HG2 VAL 38 3HG2 VAL 38 -4.013 12.516 0.255 264 H CYS 39 H CYS 39 -4.782 7.359 2.178 265 HA CYS 39 HA CYS 39 -7.085 6.293 0.952 266 1HB CYS 39 1HB CYS 39 -5.101 4.953 1.314 267 2HB CYS 39 2HB CYS 39 -5.251 5.199 3.051 268 H ILE 40 H ILE 40 -9.119 5.920 1.580 269 HA ILE 40 HA ILE 40 -9.966 6.653 4.347 270 HB ILE 40 HB ILE 40 -12.176 6.988 3.308 271 1HG1 ILE 40 1HG1 ILE 40 -10.772 6.750 0.603 272 2HG1 ILE 40 2HG1 ILE 40 -11.684 5.418 1.306 273 1HG2 ILE 40 1HG2 ILE 40 -10.391 8.807 3.573 274 2HG2 ILE 40 2HG2 ILE 40 -10.095 8.639 1.834 275 3HG2 ILE 40 3HG2 ILE 40 -11.691 9.137 2.422 276 1HD1 ILE 40 1HD1 ILE 40 -13.336 7.800 1.388 277 2HD1 ILE 40 2HD1 ILE 40 -12.692 7.553 -0.248 278 3HD1 ILE 40 3HD1 ILE 40 -13.603 6.260 0.555 279 H ASP 41 H ASP 41 -8.797 4.118 3.909 280 HA ASP 41 HA ASP 41 -9.110 1.904 4.364 281 1HB ASP 41 1HB ASP 41 -11.074 3.320 6.212 282 2HB ASP 41 2HB ASP 41 -10.725 1.592 6.349 283 H CYS 42 H CYS 42 -10.503 2.586 2.018 284 HA CYS 42 HA CYS 42 -13.098 1.377 2.074 285 1HB CYS 42 1HB CYS 42 -13.291 2.072 -0.032 286 2HB CYS 42 2HB CYS 42 -12.070 3.211 0.521 287 H GLY 43 H GLY 43 -9.954 -0.001 1.706 288 1HA GLY 43 1HA GLY 43 -9.220 -2.128 1.256 289 2HA GLY 43 2HA GLY 43 -10.897 -2.678 1.039 290 H ALA 44 H ALA 44 -10.346 -3.759 -0.939 291 HA ALA 44 HA ALA 44 -10.874 -3.907 -3.142 292 1HB ALA 44 1HB ALA 44 -11.970 -1.672 -3.196 293 2HB ALA 44 2HB ALA 44 -10.393 -0.921 -3.531 294 3HB ALA 44 3HB ALA 44 -11.080 -2.075 -4.677 295 H CYS 45 H CYS 45 -8.253 -1.562 -2.493 296 HA CYS 45 HA CYS 45 -6.525 -2.439 -4.561 297 1HB CYS 45 1HB CYS 45 -4.795 -1.201 -3.347 298 2HB CYS 45 2HB CYS 45 -6.283 -0.328 -3.613 299 H GLU 46 H GLU 46 -7.034 -3.729 -1.255 300 HA GLU 46 HA GLU 46 -4.699 -5.441 -1.366 301 1HB GLU 46 1HB GLU 46 -5.313 -6.321 0.650 302 2HB GLU 46 2HB GLU 46 -5.868 -4.653 0.766 303 1HG GLU 46 1HG GLU 46 -7.646 -7.092 0.213 304 2HG GLU 46 2HG GLU 46 -7.392 -6.334 1.772 305 H ALA 47 H ALA 47 -8.167 -5.873 -2.032 306 HA ALA 47 HA ALA 47 -8.009 -8.600 -2.863 307 1HB ALA 47 1HB ALA 47 -10.130 -7.447 -2.398 308 2HB ALA 47 2HB ALA 47 -9.912 -6.426 -3.835 309 3HB ALA 47 3HB ALA 47 -10.133 -8.177 -4.016 310 H VAL 48 H VAL 48 -7.384 -5.556 -4.651 311 HA VAL 48 HA VAL 48 -7.066 -6.798 -7.212 312 HB VAL 48 HB VAL 48 -6.272 -4.147 -6.021 313 1HG1 VAL 48 1HG1 VAL 48 -5.779 -5.096 -8.862 314 2HG1 VAL 48 2HG1 VAL 48 -5.772 -3.396 -8.340 315 3HG1 VAL 48 3HG1 VAL 48 -4.571 -4.520 -7.685 316 1HG2 VAL 48 1HG2 VAL 48 -8.721 -4.794 -6.611 317 2HG2 VAL 48 2HG2 VAL 48 -8.088 -3.294 -7.308 318 3HG2 VAL 48 3HG2 VAL 48 -8.191 -4.764 -8.299 319 H CYS 49 H CYS 49 -4.683 -6.086 -4.565 320 HA CYS 49 HA CYS 49 -2.413 -6.958 -6.025 321 1HB CYS 49 1HB CYS 49 -2.633 -5.851 -3.662 322 2HB CYS 49 2HB CYS 49 -2.756 -7.532 -3.100 323 HA PRO 50 HA PRO 50 -4.113 -11.154 -6.429 324 1HB PRO 50 1HB PRO 50 -2.401 -12.221 -8.236 325 2HB PRO 50 2HB PRO 50 -3.459 -10.849 -8.662 326 1HG PRO 50 1HG PRO 50 -0.560 -10.709 -7.770 327 2HG PRO 50 2HG PRO 50 -1.284 -9.976 -9.231 328 1HD PRO 50 1HD PRO 50 -0.954 -8.578 -6.901 329 2HD PRO 50 2HD PRO 50 -2.364 -8.308 -7.967 330 H VAL 51 H VAL 51 -3.318 -11.003 -4.104 331 HA VAL 51 HA VAL 51 -1.887 -13.144 -3.062 332 HB VAL 51 HB VAL 51 0.201 -12.588 -3.770 333 1HG1 VAL 51 1HG1 VAL 51 -0.490 -10.185 -4.835 334 2HG1 VAL 51 2HG1 VAL 51 0.228 -9.626 -3.335 335 3HG1 VAL 51 3HG1 VAL 51 1.158 -10.631 -4.439 336 1HG2 VAL 51 1HG2 VAL 51 0.185 -12.466 -1.257 337 2HG2 VAL 51 2HG2 VAL 51 1.471 -11.480 -1.989 338 3HG2 VAL 51 3HG2 VAL 51 -0.009 -10.696 -1.411 339 H SER 52 H SER 52 -2.961 -9.746 -2.844 340 HA SER 52 HA SER 52 -3.615 -8.450 -1.152 341 1HB SER 52 1HB SER 52 -4.554 -11.062 0.070 342 2HB SER 52 2HB SER 52 -5.163 -9.431 0.420 343 HG SER 52 HG SER 52 -5.569 -9.337 -1.952 344 H ALA 53 H ALA 53 -1.086 -8.578 -1.113 345 HA ALA 53 HA ALA 53 0.058 -9.241 1.502 346 1HB ALA 53 1HB ALA 53 1.061 -7.564 -0.844 347 2HB ALA 53 2HB ALA 53 1.999 -7.949 0.612 348 3HB ALA 53 3HB ALA 53 1.495 -9.249 -0.480 349 H ILE 54 H ILE 54 -1.580 -6.542 -0.035 350 HA ILE 54 HA ILE 54 -0.659 -4.484 1.702 351 HB ILE 54 HB ILE 54 -3.369 -4.551 0.332 352 1HG1 ILE 54 1HG1 ILE 54 -0.658 -3.936 -0.907 353 2HG1 ILE 54 2HG1 ILE 54 -1.817 -5.178 -1.405 354 1HG2 ILE 54 1HG2 ILE 54 -2.800 -2.730 1.980 355 2HG2 ILE 54 2HG2 ILE 54 -1.471 -2.250 0.912 356 3HG2 ILE 54 3HG2 ILE 54 -3.155 -2.138 0.354 357 1HD1 ILE 54 1HD1 ILE 54 -3.449 -3.130 -1.760 358 2HD1 ILE 54 2HD1 ILE 54 -1.917 -2.236 -1.903 359 3HD1 ILE 54 3HD1 ILE 54 -2.259 -3.587 -2.988 360 H TYR 55 H TYR 55 -1.140 -4.182 3.856 361 HA TYR 55 HA TYR 55 -3.502 -5.625 5.010 362 1HB TYR 55 1HB TYR 55 -0.761 -5.015 6.145 363 2HB TYR 55 2HB TYR 55 -2.078 -5.678 7.079 364 HD1 TYR 55 HD1 TYR 55 -3.196 -7.837 5.460 365 HD2 TYR 55 HD2 TYR 55 0.927 -6.628 5.899 366 HE1 TYR 55 HE1 TYR 55 -2.459 -10.025 4.601 367 HE2 TYR 55 HE2 TYR 55 1.652 -8.867 5.141 368 HH TYR 55 HH TYR 55 -0.625 -11.136 3.668 369 H HIS 56 H HIS 56 -4.257 -4.592 7.009 370 HA HIS 56 HA HIS 56 -4.492 -1.715 6.644 371 1HB HIS 56 1HB HIS 56 -6.111 -3.619 7.805 372 2HB HIS 56 2HB HIS 56 -5.248 -3.089 9.228 373 HD1 HIS 56 HD1 HIS 56 -8.069 -2.136 6.969 374 HD2 HIS 56 HD2 HIS 56 -5.596 -0.448 9.913 375 HE1 HIS 56 HE1 HIS 56 -9.293 -0.091 7.858 376 H GLU 57 H GLU 57 -3.551 -0.071 8.011 377 HA GLU 57 HA GLU 57 -1.020 -0.678 8.751 378 1HB GLU 57 1HB GLU 57 -0.972 1.557 9.746 379 2HB GLU 57 2HB GLU 57 -1.858 1.574 8.202 380 1HG GLU 57 1HG GLU 57 -3.922 1.339 9.613 381 2HG GLU 57 2HG GLU 57 -2.869 1.647 11.019 382 H ASP 58 H ASP 58 -3.801 -0.700 10.704 383 HA ASP 58 HA ASP 58 -2.728 -1.219 13.262 384 1HB ASP 58 1HB ASP 58 -5.117 -0.832 12.860 385 2HB ASP 58 2HB ASP 58 -5.218 -2.348 11.946 386 H PHE 59 H PHE 59 -3.120 -3.371 10.501 387 HA PHE 59 HA PHE 59 -2.756 -5.823 12.060 388 1HB PHE 59 1HB PHE 59 -2.993 -5.263 9.079 389 2HB PHE 59 2HB PHE 59 -2.927 -6.834 9.828 390 HD1 PHE 59 HD1 PHE 59 -5.007 -5.046 12.052 391 HD2 PHE 59 HD2 PHE 59 -4.965 -6.766 8.078 392 HE1 PHE 59 HE1 PHE 59 -7.444 -5.002 12.008 393 HE2 PHE 59 HE2 PHE 59 -7.442 -6.750 8.065 394 HZ PHE 59 HZ PHE 59 -8.692 -5.855 10.021 395 H VAL 60 H VAL 60 -0.917 -3.746 9.837 396 HA VAL 60 HA VAL 60 1.161 -5.443 9.141 397 HB VAL 60 HB VAL 60 1.118 -2.468 9.622 398 1HG1 VAL 60 1HG1 VAL 60 3.361 -4.187 8.558 399 2HG1 VAL 60 2HG1 VAL 60 3.240 -2.434 8.265 400 3HG1 VAL 60 3HG1 VAL 60 3.423 -3.038 9.912 401 1HG2 VAL 60 1HG2 VAL 60 1.096 -4.192 7.127 402 2HG2 VAL 60 2HG2 VAL 60 -0.274 -3.291 7.769 403 3HG2 VAL 60 3HG2 VAL 60 1.124 -2.412 7.151 404 HA PRO 61 HA PRO 61 2.954 -6.340 13.214 405 1HB PRO 61 1HB PRO 61 5.295 -7.153 11.483 406 2HB PRO 61 2HB PRO 61 4.587 -8.021 12.870 407 1HG PRO 61 1HG PRO 61 4.023 -8.804 10.330 408 2HG PRO 61 2HG PRO 61 2.713 -8.723 11.549 409 1HD PRO 61 1HD PRO 61 3.381 -6.707 9.397 410 2HD PRO 61 2HD PRO 61 1.794 -7.353 9.921 411 H GLU 62 H GLU 62 4.452 -5.289 14.632 412 HA GLU 62 HA GLU 62 5.443 -2.823 14.476 413 1HB GLU 62 1HB GLU 62 6.009 -5.408 15.878 414 2HB GLU 62 2HB GLU 62 7.026 -4.034 16.163 415 1HG GLU 62 1HG GLU 62 5.091 -4.243 17.784 416 2HG GLU 62 2HG GLU 62 5.179 -2.682 16.957 417 H GLU 63 H GLU 63 7.327 -5.736 13.490 418 HA GLU 63 HA GLU 63 9.744 -4.539 12.814 419 1HB GLU 63 1HB GLU 63 8.259 -6.666 11.230 420 2HB GLU 63 2HB GLU 63 9.990 -6.323 11.193 421 1HG GLU 63 1HG GLU 63 10.045 -8.067 12.644 422 2HG GLU 63 2HG GLU 63 9.777 -6.801 13.843 423 H TRP 64 H TRP 64 6.708 -4.581 11.013 424 HA TRP 64 HA TRP 64 7.809 -2.968 8.775 425 1HB TRP 64 1HB TRP 64 5.458 -4.834 9.087 426 2HB TRP 64 2HB TRP 64 5.679 -3.812 7.672 427 HD1 TRP 64 HD1 TRP 64 9.060 -4.770 8.078 428 HE1 TRP 64 HE1 TRP 64 9.662 -6.823 6.654 429 HE3 TRP 64 HE3 TRP 64 4.346 -6.594 7.162 430 HZ2 TRP 64 HZ2 TRP 64 8.328 -9.050 5.474 431 HZ3 TRP 64 HZ3 TRP 64 4.062 -8.617 5.766 432 HH2 TRP 64 HH2 TRP 64 6.074 -9.756 4.796 433 H LYS 65 H LYS 65 6.106 -2.335 11.708 434 HA LYS 65 HA LYS 65 4.230 -0.396 10.861 435 1HB LYS 65 1HB LYS 65 5.917 -0.871 13.313 436 2HB LYS 65 2HB LYS 65 4.893 0.480 13.177 437 1HG LYS 65 1HG LYS 65 3.886 -2.373 13.033 438 2HG LYS 65 2HG LYS 65 3.858 -1.315 14.463 439 1HD LYS 65 1HD LYS 65 2.453 0.247 12.881 440 2HD LYS 65 2HD LYS 65 2.176 -1.274 11.997 441 1HE LYS 65 1HE LYS 65 1.462 -0.693 14.912 442 2HE LYS 65 2HE LYS 65 0.348 -0.838 13.543 443 1HZ LYS 65 1HZ LYS 65 1.320 -3.180 13.370 444 2HZ LYS 65 2HZ LYS 65 1.843 -2.931 14.918 445 3HZ LYS 65 3HZ LYS 65 0.235 -2.875 14.559 446 H SER 66 H SER 66 7.712 -0.485 10.888 447 HA SER 66 HA SER 66 8.432 2.202 10.544 448 1HB SER 66 1HB SER 66 10.268 1.007 9.123 449 2HB SER 66 2HB SER 66 10.089 0.469 10.807 450 HG SER 66 HG SER 66 9.709 -1.473 9.951 451 H TYR 67 H TYR 67 7.122 -0.177 8.146 452 HA TYR 67 HA TYR 67 7.464 1.674 5.946 453 1HB TYR 67 1HB TYR 67 5.670 -0.753 6.179 454 2HB TYR 67 2HB TYR 67 5.834 0.282 4.757 455 HD1 TYR 67 HD1 TYR 67 8.115 0.548 3.643 456 HD2 TYR 67 HD2 TYR 67 7.216 -2.573 6.472 457 HE1 TYR 67 HE1 TYR 67 9.946 -0.838 2.704 458 HE2 TYR 67 HE2 TYR 67 9.048 -3.948 5.534 459 HH TYR 67 HH TYR 67 10.657 -4.138 3.893 460 H ILE 68 H ILE 68 4.782 1.224 8.392 461 HA ILE 68 HA ILE 68 2.872 2.681 6.790 462 HB ILE 68 HB ILE 68 3.262 2.017 9.729 463 1HG1 ILE 68 1HG1 ILE 68 0.866 1.170 8.124 464 2HG1 ILE 68 2HG1 ILE 68 2.389 0.352 7.766 465 1HG2 ILE 68 1HG2 ILE 68 1.015 3.561 8.437 466 2HG2 ILE 68 2HG2 ILE 68 0.953 2.844 10.070 467 3HG2 ILE 68 3HG2 ILE 68 2.124 4.123 9.727 468 1HD1 ILE 68 1HD1 ILE 68 1.731 0.702 10.658 469 2HD1 ILE 68 2HD1 ILE 68 0.820 -0.438 9.681 470 3HD1 ILE 68 3HD1 ILE 68 2.570 -0.593 9.737 471 H GLN 69 H GLN 69 5.230 3.483 9.376 472 HA GLN 69 HA GLN 69 4.809 6.270 9.408 473 1HB GLN 69 1HB GLN 69 6.268 5.023 10.981 474 2HB GLN 69 2HB GLN 69 7.481 4.796 9.724 475 1HG GLN 69 1HG GLN 69 6.514 7.511 10.702 476 2HG GLN 69 2HG GLN 69 7.910 6.663 11.374 477 1HE2 GLN 69 2HE2 GLN 69 7.910 9.309 10.109 478 2HE2 GLN 69 1HE2 GLN 69 8.906 9.191 8.667 479 H LYS 70 H LYS 70 7.030 4.357 7.306 480 HA LYS 70 HA LYS 70 7.955 6.629 5.940 481 1HB LYS 70 1HB LYS 70 8.938 4.206 6.008 482 2HB LYS 70 2HB LYS 70 7.747 3.845 4.768 483 1HG LYS 70 1HG LYS 70 9.664 4.219 3.568 484 2HG LYS 70 2HG LYS 70 8.803 5.735 3.388 485 1HD LYS 70 1HD LYS 70 11.078 5.218 5.393 486 2HD LYS 70 2HD LYS 70 11.289 5.854 3.771 487 1HE LYS 70 1HE LYS 70 11.231 7.876 4.712 488 2HE LYS 70 2HE LYS 70 9.487 7.696 4.647 489 1HZ LYS 70 1HZ LYS 70 9.651 6.905 7.025 490 2HZ LYS 70 2HZ LYS 70 11.268 7.200 6.967 491 3HZ LYS 70 3HZ LYS 70 10.180 8.409 6.769 492 H ASN 71 H ASN 71 5.350 4.430 5.121 493 HA ASN 71 HA ASN 71 4.612 5.600 2.641 494 1HB ASN 71 1HB ASN 71 3.184 3.891 4.623 495 2HB ASN 71 2HB ASN 71 2.294 4.611 3.299 496 1HD2 ASN 71 2HD2 ASN 71 5.164 2.566 3.889 497 2HD2 ASN 71 1HD2 ASN 71 5.056 1.726 2.341 498 H ARG 72 H ARG 72 3.623 6.471 5.984 499 HA ARG 72 HA ARG 72 1.709 8.498 5.315 500 1HB ARG 72 1HB ARG 72 2.224 7.262 7.447 501 2HB ARG 72 2HB ARG 72 3.448 8.469 7.763 502 1HG ARG 72 1HG ARG 72 1.921 10.100 8.195 503 2HG ARG 72 2HG ARG 72 0.772 9.595 6.954 504 1HD ARG 72 1HD ARG 72 1.284 7.962 9.443 505 2HD ARG 72 2HD ARG 72 0.080 9.268 9.397 506 HE ARG 72 HE ARG 72 -0.587 7.757 7.221 507 1HH1 ARG 72 1HH1 ARG 72 0.188 6.500 10.460 508 2HH1 ARG 72 2HH1 ARG 72 -1.177 5.377 10.406 509 1HH2 ARG 72 1HH2 ARG 72 -2.818 6.595 7.663 510 2HH2 ARG 72 2HH2 ARG 72 -2.729 5.436 8.979 511 H ASP 73 H ASP 73 5.089 8.552 6.274 512 HA ASP 73 HA ASP 73 5.607 11.280 6.326 513 1HB ASP 73 1HB ASP 73 6.727 9.493 7.548 514 2HB ASP 73 2HB ASP 73 7.259 8.735 6.041 515 H PHE 74 H PHE 74 6.180 8.917 3.733 516 HA PHE 74 HA PHE 74 7.564 10.209 1.748 517 1HB PHE 74 1HB PHE 74 5.379 8.278 1.818 518 2HB PHE 74 2HB PHE 74 5.384 9.305 0.395 519 HD1 PHE 74 HD1 PHE 74 8.316 7.888 2.265 520 HD2 PHE 74 HD2 PHE 74 6.037 7.995 -1.392 521 HE1 PHE 74 HE1 PHE 74 10.031 6.468 1.137 522 HE2 PHE 74 HE2 PHE 74 7.724 6.583 -2.494 523 HZ PHE 74 HZ PHE 74 9.728 5.807 -1.238 524 H PHE 75 H PHE 75 4.074 10.658 2.306 525 HA PHE 75 HA PHE 75 4.060 12.891 0.362 526 1HB PHE 75 1HB PHE 75 1.773 11.553 1.716 527 2HB PHE 75 2HB PHE 75 1.713 12.541 0.261 528 HD1 PHE 75 HD1 PHE 75 3.176 11.658 -1.775 529 HD2 PHE 75 HD2 PHE 75 1.925 9.209 1.546 530 HE1 PHE 75 HE1 PHE 75 3.721 9.612 -3.070 531 HE2 PHE 75 HE2 PHE 75 2.455 7.170 0.250 532 HZ PHE 75 HZ PHE 75 3.393 7.382 -2.054 533 H LYS 76 H LYS 76 3.593 12.256 3.848 534 HA LYS 76 HA LYS 76 2.540 14.977 4.350 535 1HB LYS 76 1HB LYS 76 3.313 12.564 6.013 536 2HB LYS 76 2HB LYS 76 3.306 14.165 6.718 537 1HG LYS 76 1HG LYS 76 1.246 13.137 7.190 538 2HG LYS 76 2HG LYS 76 0.934 14.505 6.130 539 1HD LYS 76 1HD LYS 76 1.064 11.611 5.137 540 2HD LYS 76 2HD LYS 76 -0.382 12.344 5.839 541 1HE LYS 76 1HE LYS 76 -0.345 14.112 4.051 542 2HE LYS 76 2HE LYS 76 0.954 13.226 3.258 543 1HZ LYS 76 1HZ LYS 76 -0.694 11.265 3.267 544 2HZ LYS 76 2HZ LYS 76 -1.825 12.408 3.602 545 3HZ LYS 76 3HZ LYS 76 -0.911 12.400 2.214 546 H LYS 77 H LYS 77 4.252 16.171 3.149 547 HA LYS 77 HA LYS 77 6.719 16.544 4.665 548 1HB LYS 77 1HB LYS 77 6.868 14.461 3.074 549 2HB LYS 77 2HB LYS 77 6.651 15.601 1.768 550 1HG LYS 77 1HG LYS 77 8.997 15.139 1.977 551 2HG LYS 77 2HG LYS 77 8.699 16.819 2.416 552 1HD LYS 77 1HD LYS 77 10.361 15.763 3.862 553 2HD LYS 77 2HD LYS 77 8.981 16.303 4.807 554 1HE LYS 77 1HE LYS 77 9.157 13.420 3.770 555 2HE LYS 77 2HE LYS 77 10.026 13.896 5.232 556 1HZ LYS 77 1HZ LYS 77 7.097 14.242 4.989 557 2HZ LYS 77 2HZ LYS 77 7.856 12.926 5.534 558 3HZ LYS 77 3HZ LYS 77 8.043 14.329 6.330 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -6.178 2.149 8.144 2 2H ALA 1 2H ALA 1 -5.962 3.640 8.332 3 3H ALA 1 3H ALA 1 -7.323 3.118 7.909 4 HA ALA 1 HA ALA 1 -6.761 3.107 5.612 5 1HB ALA 1 1HB ALA 1 -5.237 4.956 6.499 6 2HB ALA 1 2HB ALA 1 -3.914 3.770 6.389 7 3HB ALA 1 3HB ALA 1 -4.839 4.206 4.930 8 H TYR 2 H TYR 2 -5.529 1.884 3.963 9 HA TYR 2 HA TYR 2 -4.389 -0.678 4.978 10 1HB TYR 2 1HB TYR 2 -5.856 0.167 2.462 11 2HB TYR 2 2HB TYR 2 -4.780 -1.202 2.432 12 HD1 TYR 2 HD1 TYR 2 -5.152 -3.160 4.022 13 HD2 TYR 2 HD2 TYR 2 -8.138 -0.208 3.089 14 HE1 TYR 2 HE1 TYR 2 -6.922 -4.869 4.278 15 HE2 TYR 2 HE2 TYR 2 -9.903 -1.920 3.337 16 HH TYR 2 HH TYR 2 -9.087 -5.344 3.467 17 H VAL 3 H VAL 3 -2.285 -1.154 4.476 18 HA VAL 3 HA VAL 3 -0.847 0.642 2.582 19 HB VAL 3 HB VAL 3 0.127 -0.032 5.387 20 1HG1 VAL 3 1HG1 VAL 3 1.175 1.770 3.151 21 2HG1 VAL 3 2HG1 VAL 3 1.781 1.822 4.813 22 3HG1 VAL 3 3HG1 VAL 3 1.999 0.361 3.854 23 1HG2 VAL 3 1HG2 VAL 3 -1.020 2.551 4.260 24 2HG2 VAL 3 2HG2 VAL 3 -1.742 1.566 5.555 25 3HG2 VAL 3 3HG2 VAL 3 -0.214 2.397 5.840 26 H ILE 4 H ILE 4 0.854 -0.230 1.497 27 HA ILE 4 HA ILE 4 1.031 -3.030 1.081 28 HB ILE 4 HB ILE 4 2.841 -2.394 -0.386 29 1HG1 ILE 4 1HG1 ILE 4 3.129 0.277 -0.574 30 2HG1 ILE 4 2HG1 ILE 4 2.927 0.185 1.172 31 1HG2 ILE 4 1HG2 ILE 4 0.505 -1.985 -1.122 32 2HG2 ILE 4 2HG2 ILE 4 0.697 -0.276 -0.672 33 3HG2 ILE 4 3HG2 ILE 4 1.708 -1.013 -1.929 34 1HD1 ILE 4 1HD1 ILE 4 4.948 -1.425 -0.464 35 2HD1 ILE 4 2HD1 ILE 4 5.292 0.127 0.321 36 3HD1 ILE 4 3HD1 ILE 4 4.905 -1.288 1.309 37 H THR 5 H THR 5 2.996 -4.356 1.383 38 HA THR 5 HA THR 5 5.031 -3.328 3.188 39 HB THR 5 HB THR 5 4.925 -5.364 4.639 40 HG1 THR 5 HG1 THR 5 2.358 -5.721 3.438 41 1HG2 THR 5 1HG2 THR 5 4.028 -3.141 5.369 42 2HG2 THR 5 2HG2 THR 5 2.405 -3.691 4.875 43 3HG2 THR 5 3HG2 THR 5 3.283 -4.566 6.139 44 H GLU 6 H GLU 6 6.830 -4.607 3.234 45 HA GLU 6 HA GLU 6 8.417 -5.420 1.590 46 1HB GLU 6 1HB GLU 6 8.521 -5.743 3.879 47 2HB GLU 6 2HB GLU 6 7.688 -7.259 3.840 48 1HG GLU 6 1HG GLU 6 9.560 -8.317 2.934 49 2HG GLU 6 2HG GLU 6 10.110 -6.860 2.133 50 HA PRO 7 HA PRO 7 7.085 -9.525 -0.354 51 1HB PRO 7 1HB PRO 7 4.109 -9.585 0.114 52 2HB PRO 7 2HB PRO 7 5.243 -10.955 -0.051 53 1HG PRO 7 1HG PRO 7 4.392 -10.209 2.412 54 2HG PRO 7 2HG PRO 7 6.130 -10.554 2.150 55 1HD PRO 7 1HD PRO 7 4.751 -7.862 2.190 56 2HD PRO 7 2HD PRO 7 6.213 -8.392 3.041 57 H CYS 8 H CYS 8 4.985 -6.675 -0.468 58 HA CYS 8 HA CYS 8 4.023 -6.863 -3.132 59 1HB CYS 8 1HB CYS 8 3.107 -5.192 -1.695 60 2HB CYS 8 2HB CYS 8 4.722 -4.644 -1.242 61 H ILE 9 H ILE 9 7.254 -6.032 -1.860 62 HA ILE 9 HA ILE 9 7.912 -4.480 -4.195 63 HB ILE 9 HB ILE 9 9.665 -5.327 -1.887 64 1HG1 ILE 9 1HG1 ILE 9 9.378 -2.588 -1.847 65 2HG1 ILE 9 2HG1 ILE 9 7.827 -3.044 -2.564 66 1HG2 ILE 9 1HG2 ILE 9 10.199 -3.407 -4.209 67 2HG2 ILE 9 2HG2 ILE 9 11.192 -3.565 -2.745 68 3HG2 ILE 9 3HG2 ILE 9 11.090 -4.909 -3.872 69 1HD1 ILE 9 1HD1 ILE 9 8.896 -4.033 0.037 70 2HD1 ILE 9 2HD1 ILE 9 7.690 -2.742 -0.183 71 3HD1 ILE 9 3HD1 ILE 9 7.281 -4.393 -0.675 72 H GLY 10 H GLY 10 7.364 -5.949 -5.796 73 1HA GLY 10 1HA GLY 10 9.701 -7.621 -6.688 74 2HA GLY 10 2HA GLY 10 8.011 -8.070 -6.985 75 H THR 11 H THR 11 10.107 -5.201 -7.252 76 HA THR 11 HA THR 11 10.237 -3.494 -8.644 77 HB THR 11 HB THR 11 11.494 -5.093 -9.921 78 HG1 THR 11 HG1 THR 11 10.966 -2.920 -10.771 79 1HG2 THR 11 1HG2 THR 11 8.913 -5.741 -11.406 80 2HG2 THR 11 2HG2 THR 11 10.540 -6.131 -11.991 81 3HG2 THR 11 3HG2 THR 11 9.954 -6.867 -10.498 82 H LYS 12 H LYS 12 9.011 -3.136 -11.279 83 HA LYS 12 HA LYS 12 6.815 -1.661 -10.210 84 1HB LYS 12 1HB LYS 12 8.443 -0.946 -11.931 85 2HB LYS 12 2HB LYS 12 7.547 -1.873 -13.146 86 1HG LYS 12 1HG LYS 12 5.508 -0.584 -12.729 87 2HG LYS 12 2HG LYS 12 6.211 0.220 -11.338 88 1HD LYS 12 1HD LYS 12 6.928 0.611 -14.264 89 2HD LYS 12 2HD LYS 12 6.230 1.788 -13.142 90 1HE LYS 12 1HE LYS 12 9.084 0.699 -13.179 91 2HE LYS 12 2HE LYS 12 8.557 2.358 -13.439 92 1HZ LYS 12 1HZ LYS 12 8.104 1.015 -10.843 93 2HZ LYS 12 2HZ LYS 12 9.501 1.713 -11.193 94 3HZ LYS 12 3HZ LYS 12 8.092 2.622 -11.196 95 H CYS 13 H CYS 13 5.169 -2.753 -9.581 96 HA CYS 13 HA CYS 13 3.817 -4.894 -10.986 97 1HB CYS 13 1HB CYS 13 4.125 -4.554 -8.528 98 2HB CYS 13 2HB CYS 13 3.118 -3.112 -8.719 99 H ALA 14 H ALA 14 1.317 -4.535 -11.144 100 HA ALA 14 HA ALA 14 0.248 -1.907 -11.601 101 1HB ALA 14 1HB ALA 14 1.121 -2.433 -13.916 102 2HB ALA 14 2HB ALA 14 0.221 -3.967 -13.871 103 3HB ALA 14 3HB ALA 14 -0.654 -2.423 -13.843 104 H SER 15 H SER 15 -1.917 -2.175 -10.898 105 HA SER 15 HA SER 15 -3.773 -4.011 -10.941 106 1HB SER 15 1HB SER 15 -1.723 -5.099 -8.962 107 2HB SER 15 2HB SER 15 -3.440 -5.381 -8.735 108 HG SER 15 HG SER 15 -1.971 -6.130 -10.992 109 H CYS 16 H CYS 16 -1.973 -2.911 -7.975 110 HA CYS 16 HA CYS 16 -4.364 -1.527 -7.010 111 1HB CYS 16 1HB CYS 16 -2.992 -0.818 -5.190 112 2HB CYS 16 2HB CYS 16 -2.897 -2.590 -5.382 113 H VAL 17 H VAL 17 -3.677 -0.538 -9.623 114 HA VAL 17 HA VAL 17 -2.582 2.192 -8.961 115 HB VAL 17 HB VAL 17 -2.479 0.798 -11.600 116 1HG1 VAL 17 1HG1 VAL 17 -2.767 3.270 -11.774 117 2HG1 VAL 17 2HG1 VAL 17 -1.344 3.480 -10.731 118 3HG1 VAL 17 3HG1 VAL 17 -1.183 2.721 -12.328 119 1HG2 VAL 17 1HG2 VAL 17 -0.317 1.442 -9.591 120 2HG2 VAL 17 2HG2 VAL 17 -0.849 -0.183 -10.057 121 3HG2 VAL 17 3HG2 VAL 17 -0.031 0.847 -11.242 122 H GLU 18 H GLU 18 -4.594 0.703 -11.484 123 HA GLU 18 HA GLU 18 -6.166 3.134 -11.705 124 1HB GLU 18 1HB GLU 18 -7.087 2.007 -13.662 125 2HB GLU 18 2HB GLU 18 -5.320 2.058 -13.662 126 1HG GLU 18 1HG GLU 18 -6.686 -0.371 -12.522 127 2HG GLU 18 2HG GLU 18 -6.658 -0.160 -14.274 128 H VAL 19 H VAL 19 -6.631 2.031 -9.218 129 HA VAL 19 HA VAL 19 -9.509 1.262 -9.437 130 HB VAL 19 HB VAL 19 -8.114 -0.778 -9.250 131 1HG1 VAL 19 1HG1 VAL 19 -6.319 0.096 -7.758 132 2HG1 VAL 19 2HG1 VAL 19 -7.488 0.172 -6.418 133 3HG1 VAL 19 3HG1 VAL 19 -7.069 -1.385 -7.145 134 1HG2 VAL 19 1HG2 VAL 19 -10.470 -0.706 -8.547 135 2HG2 VAL 19 2HG2 VAL 19 -9.528 -1.825 -7.553 136 3HG2 VAL 19 3HG2 VAL 19 -9.975 -0.236 -6.909 137 H CYS 20 H CYS 20 -6.962 2.772 -7.377 138 HA CYS 20 HA CYS 20 -8.639 2.889 -5.166 139 1HB CYS 20 1HB CYS 20 -6.222 3.198 -5.013 140 2HB CYS 20 2HB CYS 20 -6.459 4.740 -5.844 141 HA PRO 21 HA PRO 21 -11.720 5.953 -6.350 142 1HB PRO 21 1HB PRO 21 -11.565 6.493 -3.372 143 2HB PRO 21 2HB PRO 21 -13.019 6.345 -4.399 144 1HG PRO 21 1HG PRO 21 -12.193 4.265 -2.841 145 2HG PRO 21 2HG PRO 21 -12.762 3.969 -4.513 146 1HD PRO 21 1HD PRO 21 -9.905 4.094 -3.520 147 2HD PRO 21 2HD PRO 21 -10.685 3.005 -4.714 148 H VAL 22 H VAL 22 -8.941 6.808 -4.268 149 HA VAL 22 HA VAL 22 -9.078 9.647 -5.194 150 HB VAL 22 HB VAL 22 -8.478 10.304 -2.866 151 1HG1 VAL 22 1HG1 VAL 22 -10.784 10.498 -3.747 152 2HG1 VAL 22 2HG1 VAL 22 -11.165 8.899 -3.077 153 3HG1 VAL 22 3HG1 VAL 22 -10.725 10.232 -1.996 154 1HG2 VAL 22 1HG2 VAL 22 -7.655 8.112 -2.009 155 2HG2 VAL 22 2HG2 VAL 22 -8.953 8.773 -1.002 156 3HG2 VAL 22 3HG2 VAL 22 -9.295 7.447 -2.122 157 H ASP 23 H ASP 23 -7.493 7.725 -6.420 158 HA ASP 23 HA ASP 23 -5.374 7.479 -7.181 159 1HB ASP 23 1HB ASP 23 -5.671 9.845 -7.680 160 2HB ASP 23 2HB ASP 23 -5.062 10.303 -6.084 161 H CYS 24 H CYS 24 -3.312 9.215 -5.136 162 HA CYS 24 HA CYS 24 -2.198 8.848 -3.256 163 1HB CYS 24 1HB CYS 24 -3.117 8.100 -1.377 164 2HB CYS 24 2HB CYS 24 -4.599 8.349 -2.319 165 HG CYS 24 HG CYS 24 -4.776 5.785 -3.040 166 H ILE 25 H ILE 25 -2.769 6.072 -5.225 167 HA ILE 25 HA ILE 25 -0.528 4.552 -4.122 168 HB ILE 25 HB ILE 25 -1.001 3.212 -6.361 169 1HG1 ILE 25 1HG1 ILE 25 -3.365 3.075 -6.880 170 2HG1 ILE 25 2HG1 ILE 25 -3.758 4.389 -5.823 171 1HG2 ILE 25 1HG2 ILE 25 -2.705 3.305 -3.855 172 2HG2 ILE 25 2HG2 ILE 25 -2.671 1.907 -4.920 173 3HG2 ILE 25 3HG2 ILE 25 -1.191 2.383 -4.090 174 1HD1 ILE 25 1HD1 ILE 25 -2.022 4.622 -8.333 175 2HD1 ILE 25 2HD1 ILE 25 -3.741 5.049 -8.228 176 3HD1 ILE 25 3HD1 ILE 25 -2.555 5.987 -7.321 177 H HIS 26 H HIS 26 1.429 5.457 -4.273 178 HA HIS 26 HA HIS 26 2.167 6.959 -6.750 179 1HB HIS 26 1HB HIS 26 3.038 7.152 -3.839 180 2HB HIS 26 2HB HIS 26 3.706 8.072 -5.172 181 HD1 HIS 26 HD1 HIS 26 1.400 9.316 -6.687 182 HD2 HIS 26 HD2 HIS 26 1.157 8.475 -2.583 183 HE1 HIS 26 HE1 HIS 26 -0.422 10.824 -5.748 184 H GLU 27 H GLU 27 4.213 6.508 -7.733 185 HA GLU 27 HA GLU 27 5.682 4.124 -6.798 186 1HB GLU 27 1HB GLU 27 6.287 6.123 -8.924 187 2HB GLU 27 2HB GLU 27 7.277 4.688 -8.580 188 1HG GLU 27 1HG GLU 27 5.399 3.190 -8.968 189 2HG GLU 27 2HG GLU 27 4.354 4.568 -9.357 190 H GLY 28 H GLY 28 5.836 4.974 -4.750 191 1HA GLY 28 1HA GLY 28 7.596 7.112 -3.925 192 2HA GLY 28 2HA GLY 28 7.131 5.712 -2.931 193 H GLU 29 H GLU 29 8.026 3.653 -4.640 194 HA GLU 29 HA GLU 29 11.010 3.947 -4.628 195 1HB GLU 29 1HB GLU 29 9.232 1.550 -4.017 196 2HB GLU 29 2HB GLU 29 11.007 1.477 -4.158 197 1HG GLU 29 1HG GLU 29 11.294 2.854 -2.209 198 2HG GLU 29 2HG GLU 29 9.560 3.191 -2.109 199 H ASP 30 H ASP 30 10.103 1.072 -5.912 200 HA ASP 30 HA ASP 30 9.864 2.086 -8.701 201 1HB ASP 30 1HB ASP 30 11.738 0.482 -8.019 202 2HB ASP 30 2HB ASP 30 10.487 -0.721 -7.684 203 H GLN 31 H GLN 31 7.971 1.110 -6.158 204 HA GLN 31 HA GLN 31 5.870 -0.294 -7.689 205 1HB GLN 31 1HB GLN 31 5.664 -1.750 -5.551 206 2HB GLN 31 2HB GLN 31 7.100 -2.001 -6.561 207 1HG GLN 31 1HG GLN 31 7.921 -2.019 -4.455 208 2HG GLN 31 2HG GLN 31 8.219 -0.335 -4.796 209 1HE2 GLN 31 2HE2 GLN 31 8.189 -0.519 -2.202 210 2HE2 GLN 31 1HE2 GLN 31 6.530 -0.466 -1.550 211 H TYR 32 H TYR 32 3.785 -0.190 -6.450 212 HA TYR 32 HA TYR 32 3.370 2.621 -5.970 213 1HB TYR 32 1HB TYR 32 1.463 0.304 -6.221 214 2HB TYR 32 2HB TYR 32 0.968 1.978 -5.990 215 HD1 TYR 32 HD1 TYR 32 1.394 3.699 -7.730 216 HD2 TYR 32 HD2 TYR 32 2.533 -0.414 -8.348 217 HE1 TYR 32 HE1 TYR 32 1.947 4.204 -10.092 218 HE2 TYR 32 HE2 TYR 32 3.262 0.159 -10.646 219 HH TYR 32 HH TYR 32 3.617 3.239 -11.840 220 H TYR 33 H TYR 33 3.205 3.615 -4.161 221 HA TYR 33 HA TYR 33 3.150 2.304 -1.505 222 1HB TYR 33 1HB TYR 33 4.652 4.495 -2.782 223 2HB TYR 33 2HB TYR 33 3.745 5.096 -1.426 224 HD1 TYR 33 HD1 TYR 33 5.873 2.120 -2.334 225 HD2 TYR 33 HD2 TYR 33 4.870 5.097 0.593 226 HE1 TYR 33 HE1 TYR 33 7.654 1.278 -0.830 227 HE2 TYR 33 HE2 TYR 33 6.597 4.157 2.138 228 HH TYR 33 HH TYR 33 9.071 1.921 0.886 229 H ILE 34 H ILE 34 1.218 2.641 -0.372 230 HA ILE 34 HA ILE 34 -0.803 4.362 -1.579 231 HB ILE 34 HB ILE 34 -0.783 2.218 0.586 232 1HG1 ILE 34 1HG1 ILE 34 -2.493 2.332 -1.924 233 2HG1 ILE 34 2HG1 ILE 34 -0.872 1.620 -1.930 234 1HG2 ILE 34 1HG2 ILE 34 -3.006 4.164 -0.093 235 2HG2 ILE 34 2HG2 ILE 34 -3.310 2.621 0.713 236 3HG2 ILE 34 3HG2 ILE 34 -2.301 3.821 1.497 237 1HD1 ILE 34 1HD1 ILE 34 -1.597 0.020 -0.162 238 2HD1 ILE 34 2HD1 ILE 34 -3.243 0.670 -0.285 239 3HD1 ILE 34 3HD1 ILE 34 -2.494 -0.101 -1.690 240 H ASP 35 H ASP 35 -1.064 6.511 -0.693 241 HA ASP 35 HA ASP 35 0.276 7.160 1.797 242 1HB ASP 35 1HB ASP 35 -0.445 8.940 0.078 243 2HB ASP 35 2HB ASP 35 -2.058 8.743 0.753 244 HA PRO 36 HA PRO 36 -3.077 5.041 4.043 245 1HB PRO 36 1HB PRO 36 -2.300 5.536 6.630 246 2HB PRO 36 2HB PRO 36 -1.558 4.290 5.616 247 1HG PRO 36 1HG PRO 36 -0.545 7.114 6.053 248 2HG PRO 36 2HG PRO 36 0.387 5.587 6.179 249 1HD PRO 36 1HD PRO 36 0.471 7.043 3.935 250 2HD PRO 36 2HD PRO 36 0.275 5.259 3.840 251 H ASP 37 H ASP 37 -1.949 8.397 4.455 252 HA ASP 37 HA ASP 37 -4.202 9.111 6.187 253 1HB ASP 37 1HB ASP 37 -2.047 10.836 4.967 254 2HB ASP 37 2HB ASP 37 -3.147 11.268 6.285 255 H VAL 38 H VAL 38 -3.505 9.024 2.737 256 HA VAL 38 HA VAL 38 -5.895 10.699 2.172 257 HB VAL 38 HB VAL 38 -3.990 9.301 0.283 258 1HG1 VAL 38 1HG1 VAL 38 -6.276 11.249 -0.233 259 2HG1 VAL 38 2HG1 VAL 38 -5.070 10.748 -1.436 260 3HG1 VAL 38 3HG1 VAL 38 -6.185 9.557 -0.764 261 1HG2 VAL 38 1HG2 VAL 38 -2.939 11.201 1.527 262 2HG2 VAL 38 2HG2 VAL 38 -3.174 11.584 -0.181 263 3HG2 VAL 38 3HG2 VAL 38 -4.284 12.245 1.037 264 H CYS 39 H CYS 39 -4.858 7.237 2.148 265 HA CYS 39 HA CYS 39 -7.238 6.224 0.964 266 1HB CYS 39 1HB CYS 39 -5.232 4.883 1.225 267 2HB CYS 39 2HB CYS 39 -5.334 5.076 2.967 268 H ILE 40 H ILE 40 -9.098 5.326 1.884 269 HA ILE 40 HA ILE 40 -9.887 6.278 4.617 270 HB ILE 40 HB ILE 40 -12.151 6.638 3.613 271 1HG1 ILE 40 1HG1 ILE 40 -10.738 6.522 0.902 272 2HG1 ILE 40 2HG1 ILE 40 -11.655 5.158 1.558 273 1HG2 ILE 40 1HG2 ILE 40 -10.532 8.483 4.024 274 2HG2 ILE 40 2HG2 ILE 40 -9.950 8.327 2.357 275 3HG2 ILE 40 3HG2 ILE 40 -11.622 8.819 2.677 276 1HD1 ILE 40 1HD1 ILE 40 -13.683 6.578 1.691 277 2HD1 ILE 40 2HD1 ILE 40 -12.782 7.913 0.931 278 3HD1 ILE 40 3HD1 ILE 40 -13.053 6.405 0.042 279 H ASP 41 H ASP 41 -8.749 3.768 4.103 280 HA ASP 41 HA ASP 41 -9.021 1.518 4.314 281 1HB ASP 41 1HB ASP 41 -11.101 2.505 6.288 282 2HB ASP 41 2HB ASP 41 -10.578 0.824 6.189 283 H CYS 42 H CYS 42 -10.360 2.419 2.001 284 HA CYS 42 HA CYS 42 -12.989 1.271 1.908 285 1HB CYS 42 1HB CYS 42 -13.145 2.012 -0.169 286 2HB CYS 42 2HB CYS 42 -11.895 3.114 0.389 287 H GLY 43 H GLY 43 -13.663 -0.498 0.455 288 1HA GLY 43 1HA GLY 43 -11.955 -2.888 0.784 289 2HA GLY 43 2HA GLY 43 -13.631 -2.826 0.229 290 H ALA 44 H ALA 44 -10.415 -1.560 -0.839 291 HA ALA 44 HA ALA 44 -10.496 -3.103 -3.284 292 1HB ALA 44 1HB ALA 44 -10.822 -0.072 -3.470 293 2HB ALA 44 2HB ALA 44 -10.268 -1.090 -4.801 294 3HB ALA 44 3HB ALA 44 -11.894 -1.317 -4.141 295 H CYS 45 H CYS 45 -8.477 -2.364 -4.623 296 HA CYS 45 HA CYS 45 -6.305 -2.425 -4.810 297 1HB CYS 45 1HB CYS 45 -4.803 -1.098 -3.785 298 2HB CYS 45 2HB CYS 45 -6.260 -0.166 -3.942 299 H GLU 46 H GLU 46 -6.955 -2.925 -1.322 300 HA GLU 46 HA GLU 46 -5.048 -4.838 -0.770 301 1HB GLU 46 1HB GLU 46 -6.477 -3.879 0.925 302 2HB GLU 46 2HB GLU 46 -7.897 -4.699 0.277 303 1HG GLU 46 1HG GLU 46 -5.777 -6.658 0.846 304 2HG GLU 46 2HG GLU 46 -6.071 -5.653 2.248 305 H ALA 47 H ALA 47 -8.380 -5.872 -1.508 306 HA ALA 47 HA ALA 47 -7.729 -8.525 -2.097 307 1HB ALA 47 1HB ALA 47 -10.076 -6.818 -3.023 308 2HB ALA 47 2HB ALA 47 -10.003 -8.590 -3.150 309 3HB ALA 47 3HB ALA 47 -9.982 -7.816 -1.552 310 H VAL 48 H VAL 48 -7.092 -5.766 -4.066 311 HA VAL 48 HA VAL 48 -7.295 -7.169 -6.641 312 HB VAL 48 HB VAL 48 -6.592 -4.375 -5.763 313 1HG1 VAL 48 1HG1 VAL 48 -5.223 -5.025 -7.750 314 2HG1 VAL 48 2HG1 VAL 48 -6.738 -5.172 -8.668 315 3HG1 VAL 48 3HG1 VAL 48 -6.266 -3.624 -7.926 316 1HG2 VAL 48 1HG2 VAL 48 -9.001 -4.953 -5.761 317 2HG2 VAL 48 2HG2 VAL 48 -8.614 -3.799 -7.049 318 3HG2 VAL 48 3HG2 VAL 48 -8.861 -5.507 -7.444 319 H CYS 49 H CYS 49 -4.789 -6.170 -4.229 320 HA CYS 49 HA CYS 49 -2.568 -6.886 -5.864 321 1HB CYS 49 1HB CYS 49 -2.513 -5.685 -3.592 322 2HB CYS 49 2HB CYS 49 -2.666 -7.316 -2.893 323 HA PRO 50 HA PRO 50 -4.002 -11.171 -6.013 324 1HB PRO 50 1HB PRO 50 -2.011 -12.302 -7.573 325 2HB PRO 50 2HB PRO 50 -3.357 -11.313 -8.196 326 1HG PRO 50 1HG PRO 50 -0.515 -10.470 -7.641 327 2HG PRO 50 2HG PRO 50 -1.559 -10.029 -9.022 328 1HD PRO 50 1HD PRO 50 -1.138 -8.396 -6.846 329 2HD PRO 50 2HD PRO 50 -2.652 -8.381 -7.791 330 H VAL 51 H VAL 51 -1.370 -10.039 -4.304 331 HA VAL 51 HA VAL 51 -0.586 -12.677 -3.207 332 HB VAL 51 HB VAL 51 1.522 -11.916 -3.127 333 1HG1 VAL 51 1HG1 VAL 51 0.892 -11.199 -5.458 334 2HG1 VAL 51 2HG1 VAL 51 0.568 -9.562 -4.824 335 3HG1 VAL 51 3HG1 VAL 51 2.199 -10.236 -4.755 336 1HG2 VAL 51 1HG2 VAL 51 0.483 -9.175 -2.338 337 2HG2 VAL 51 2HG2 VAL 51 1.218 -10.403 -1.264 338 3HG2 VAL 51 3HG2 VAL 51 2.204 -9.602 -2.488 339 H SER 52 H SER 52 -2.449 -9.804 -2.584 340 HA SER 52 HA SER 52 -3.101 -8.683 -0.751 341 1HB SER 52 1HB SER 52 -3.144 -11.463 0.476 342 2HB SER 52 2HB SER 52 -4.112 -10.058 0.967 343 HG SER 52 HG SER 52 -4.838 -10.103 -1.350 344 H ALA 53 H ALA 53 -0.575 -8.127 -0.949 345 HA ALA 53 HA ALA 53 0.910 -8.623 1.565 346 1HB ALA 53 1HB ALA 53 1.449 -6.839 -0.847 347 2HB ALA 53 2HB ALA 53 2.529 -7.006 0.554 348 3HB ALA 53 3HB ALA 53 2.213 -8.400 -0.475 349 H ILE 54 H ILE 54 -1.532 -6.519 0.397 350 HA ILE 54 HA ILE 54 -0.841 -4.220 2.025 351 HB ILE 54 HB ILE 54 -3.321 -4.948 0.441 352 1HG1 ILE 54 1HG1 ILE 54 -0.990 -3.157 -0.264 353 2HG1 ILE 54 2HG1 ILE 54 -1.265 -4.756 -0.964 354 1HG2 ILE 54 1HG2 ILE 54 -2.448 -2.429 1.900 355 2HG2 ILE 54 2HG2 ILE 54 -3.655 -2.354 0.612 356 3HG2 ILE 54 3HG2 ILE 54 -3.968 -3.335 2.036 357 1HD1 ILE 54 1HD1 ILE 54 -3.368 -3.987 -1.985 358 2HD1 ILE 54 2HD1 ILE 54 -3.041 -2.334 -1.425 359 3HD1 ILE 54 3HD1 ILE 54 -1.956 -3.108 -2.565 360 H TYR 55 H TYR 55 -1.509 -3.952 4.156 361 HA TYR 55 HA TYR 55 -3.834 -5.495 5.167 362 1HB TYR 55 1HB TYR 55 -1.087 -5.133 6.378 363 2HB TYR 55 2HB TYR 55 -2.456 -5.593 7.336 364 HD1 TYR 55 HD1 TYR 55 -3.778 -7.757 6.206 365 HD2 TYR 55 HD2 TYR 55 0.353 -6.744 5.482 366 HE1 TYR 55 HE1 TYR 55 -3.413 -9.965 5.142 367 HE2 TYR 55 HE2 TYR 55 0.711 -8.958 4.446 368 HH TYR 55 HH TYR 55 -1.112 -10.613 3.129 369 H HIS 56 H HIS 56 -4.542 -4.380 7.282 370 HA HIS 56 HA HIS 56 -4.642 -1.538 6.857 371 1HB HIS 56 1HB HIS 56 -5.499 -3.224 9.144 372 2HB HIS 56 2HB HIS 56 -5.587 -1.475 9.081 373 HD1 HIS 56 HD1 HIS 56 -7.663 -0.412 7.564 374 HD2 HIS 56 HD2 HIS 56 -7.092 -4.597 7.494 375 HE1 HIS 56 HE1 HIS 56 -9.766 -1.415 6.609 376 H GLU 57 H GLU 57 -3.534 0.082 7.922 377 HA GLU 57 HA GLU 57 -0.887 -0.376 8.398 378 1HB GLU 57 1HB GLU 57 -0.840 1.917 9.180 379 2HB GLU 57 2HB GLU 57 -2.014 1.788 7.848 380 1HG GLU 57 1HG GLU 57 -3.725 1.490 9.686 381 2HG GLU 57 2HG GLU 57 -2.440 2.040 10.791 382 H ASP 58 H ASP 58 -3.418 -0.370 10.791 383 HA ASP 58 HA ASP 58 -1.707 -0.604 13.078 384 1HB ASP 58 1HB ASP 58 -3.754 -1.157 14.217 385 2HB ASP 58 2HB ASP 58 -4.097 0.181 13.119 386 H PHE 59 H PHE 59 -2.862 -2.790 10.616 387 HA PHE 59 HA PHE 59 -2.739 -5.176 12.328 388 1HB PHE 59 1HB PHE 59 -4.423 -4.639 10.499 389 2HB PHE 59 2HB PHE 59 -3.154 -5.017 9.341 390 HD1 PHE 59 HD1 PHE 59 -2.229 -7.411 9.257 391 HD2 PHE 59 HD2 PHE 59 -5.589 -6.295 11.726 392 HE1 PHE 59 HE1 PHE 59 -2.912 -9.787 9.409 393 HE2 PHE 59 HE2 PHE 59 -6.268 -8.673 11.873 394 HZ PHE 59 HZ PHE 59 -4.938 -10.424 10.708 395 H VAL 60 H VAL 60 -0.909 -3.619 9.726 396 HA VAL 60 HA VAL 60 0.958 -5.555 9.086 397 HB VAL 60 HB VAL 60 1.168 -2.533 9.285 398 1HG1 VAL 60 1HG1 VAL 60 3.284 -4.534 8.419 399 2HG1 VAL 60 2HG1 VAL 60 3.271 -2.851 7.872 400 3HG1 VAL 60 3HG1 VAL 60 3.440 -3.208 9.591 401 1HG2 VAL 60 1HG2 VAL 60 0.985 -4.578 7.024 402 2HG2 VAL 60 2HG2 VAL 60 -0.323 -3.512 7.603 403 3HG2 VAL 60 3HG2 VAL 60 1.066 -2.841 6.781 404 HA PRO 61 HA PRO 61 2.925 -6.404 13.046 405 1HB PRO 61 1HB PRO 61 5.229 -7.206 11.258 406 2HB PRO 61 2HB PRO 61 4.566 -8.070 12.671 407 1HG PRO 61 1HG PRO 61 3.924 -8.876 10.158 408 2HG PRO 61 2HG PRO 61 2.654 -8.785 11.418 409 1HD PRO 61 1HD PRO 61 3.241 -6.800 9.220 410 2HD PRO 61 2HD PRO 61 1.675 -7.434 9.819 411 H GLU 62 H GLU 62 4.358 -5.251 14.446 412 HA GLU 62 HA GLU 62 5.166 -2.746 14.139 413 1HB GLU 62 1HB GLU 62 5.960 -5.219 15.720 414 2HB GLU 62 2HB GLU 62 6.823 -3.734 15.933 415 1HG GLU 62 1HG GLU 62 4.985 -4.018 17.590 416 2HG GLU 62 2HG GLU 62 4.849 -2.530 16.645 417 H GLU 63 H GLU 63 7.186 -5.644 13.387 418 HA GLU 63 HA GLU 63 9.624 -4.436 12.760 419 1HB GLU 63 1HB GLU 63 8.249 -6.718 11.293 420 2HB GLU 63 2HB GLU 63 9.967 -6.322 11.268 421 1HG GLU 63 1HG GLU 63 9.995 -7.997 12.810 422 2HG GLU 63 2HG GLU 63 9.781 -6.635 13.912 423 H TRP 64 H TRP 64 6.687 -4.764 10.797 424 HA TRP 64 HA TRP 64 7.896 -3.310 8.507 425 1HB TRP 64 1HB TRP 64 5.506 -5.126 8.827 426 2HB TRP 64 2HB TRP 64 5.798 -4.179 7.369 427 HD1 TRP 64 HD1 TRP 64 9.151 -5.041 7.863 428 HE1 TRP 64 HE1 TRP 64 9.814 -7.146 6.530 429 HE3 TRP 64 HE3 TRP 64 4.496 -7.071 7.041 430 HZ2 TRP 64 HZ2 TRP 64 8.581 -9.418 5.436 431 HZ3 TRP 64 HZ3 TRP 64 4.292 -9.144 5.703 432 HH2 TRP 64 HH2 TRP 64 6.356 -10.234 4.772 433 H LYS 65 H LYS 65 5.930 -2.534 11.277 434 HA LYS 65 HA LYS 65 4.305 -0.567 10.084 435 1HB LYS 65 1HB LYS 65 5.504 -1.064 12.824 436 2HB LYS 65 2HB LYS 65 4.712 0.403 12.473 437 1HG LYS 65 1HG LYS 65 2.691 -0.946 11.623 438 2HG LYS 65 2HG LYS 65 3.495 -2.350 12.341 439 1HD LYS 65 1HD LYS 65 3.372 -1.295 14.584 440 2HD LYS 65 2HD LYS 65 2.832 0.218 13.855 441 1HE LYS 65 1HE LYS 65 0.903 -0.793 14.814 442 2HE LYS 65 2HE LYS 65 0.745 -0.909 13.056 443 1HZ LYS 65 1HZ LYS 65 1.530 -3.225 13.286 444 2HZ LYS 65 2HZ LYS 65 1.530 -3.050 14.927 445 3HZ LYS 65 3HZ LYS 65 0.115 -2.954 14.060 446 H SER 66 H SER 66 7.753 -0.801 10.420 447 HA SER 66 HA SER 66 8.623 1.874 10.248 448 1HB SER 66 1HB SER 66 10.446 0.739 8.826 449 2HB SER 66 2HB SER 66 10.189 0.058 10.446 450 HG SER 66 HG SER 66 9.679 -1.772 9.508 451 H TYR 67 H TYR 67 7.357 -0.379 7.714 452 HA TYR 67 HA TYR 67 7.598 1.508 5.553 453 1HB TYR 67 1HB TYR 67 5.733 -0.863 5.890 454 2HB TYR 67 2HB TYR 67 5.791 0.179 4.482 455 HD1 TYR 67 HD1 TYR 67 7.735 0.156 2.944 456 HD2 TYR 67 HD2 TYR 67 7.519 -2.527 6.308 457 HE1 TYR 67 HE1 TYR 67 9.472 -1.282 1.916 458 HE2 TYR 67 HE2 TYR 67 9.290 -3.936 5.299 459 HH TYR 67 HH TYR 67 10.675 -4.294 3.454 460 H ILE 68 H ILE 68 5.020 1.006 8.063 461 HA ILE 68 HA ILE 68 3.048 2.553 6.628 462 HB ILE 68 HB ILE 68 3.428 1.472 9.430 463 1HG1 ILE 68 1HG1 ILE 68 1.581 0.137 8.973 464 2HG1 ILE 68 2HG1 ILE 68 1.064 1.119 7.597 465 1HG2 ILE 68 1HG2 ILE 68 1.263 3.399 8.609 466 2HG2 ILE 68 2HG2 ILE 68 1.273 2.388 10.082 467 3HG2 ILE 68 3HG2 ILE 68 2.514 3.624 9.864 468 1HD1 ILE 68 1HD1 ILE 68 3.545 -0.636 7.660 469 2HD1 ILE 68 2HD1 ILE 68 1.996 -1.013 6.886 470 3HD1 ILE 68 3HD1 ILE 68 2.966 0.285 6.250 471 H GLN 69 H GLN 69 5.483 3.213 9.163 472 HA GLN 69 HA GLN 69 4.956 5.981 9.329 473 1HB GLN 69 1HB GLN 69 6.372 4.707 10.912 474 2HB GLN 69 2HB GLN 69 7.627 4.548 9.679 475 1HG GLN 69 1HG GLN 69 8.122 6.355 11.280 476 2HG GLN 69 2HG GLN 69 7.969 6.972 9.633 477 1HE2 GLN 69 2HE2 GLN 69 6.152 8.307 9.078 478 2HE2 GLN 69 1HE2 GLN 69 5.220 9.074 10.369 479 H LYS 70 H LYS 70 7.091 4.152 7.090 480 HA LYS 70 HA LYS 70 8.107 6.467 5.808 481 1HB LYS 70 1HB LYS 70 9.053 4.066 5.633 482 2HB LYS 70 2HB LYS 70 7.709 3.722 4.563 483 1HG LYS 70 1HG LYS 70 9.607 4.160 3.166 484 2HG LYS 70 2HG LYS 70 8.463 5.460 3.002 485 1HD LYS 70 1HD LYS 70 10.115 6.493 5.012 486 2HD LYS 70 2HD LYS 70 11.218 5.431 4.154 487 1HE LYS 70 1HE LYS 70 11.388 7.612 3.150 488 2HE LYS 70 2HE LYS 70 10.546 6.573 1.991 489 1HZ LYS 70 1HZ LYS 70 8.437 7.592 2.989 490 2HZ LYS 70 2HZ LYS 70 9.418 8.648 3.756 491 3HZ LYS 70 3HZ LYS 70 9.390 8.613 2.121 492 H ASN 71 H ASN 71 5.418 4.380 4.939 493 HA ASN 71 HA ASN 71 4.488 5.740 2.637 494 1HB ASN 71 1HB ASN 71 3.150 3.983 4.649 495 2HB ASN 71 2HB ASN 71 2.233 4.797 3.395 496 1HD2 ASN 71 2HD2 ASN 71 4.804 2.368 3.842 497 2HD2 ASN 71 1HD2 ASN 71 4.533 1.615 2.275 498 H ARG 72 H ARG 72 3.775 6.383 6.119 499 HA ARG 72 HA ARG 72 1.849 8.414 5.841 500 1HB ARG 72 1HB ARG 72 2.564 7.089 7.800 501 2HB ARG 72 2HB ARG 72 4.025 8.011 7.919 502 1HG ARG 72 1HG ARG 72 3.077 9.690 9.007 503 2HG ARG 72 2HG ARG 72 1.754 9.831 7.833 504 1HD ARG 72 1HD ARG 72 1.936 7.635 9.916 505 2HD ARG 72 2HD ARG 72 1.019 9.141 10.135 506 HE ARG 72 HE ARG 72 -0.031 8.457 7.830 507 1HH1 ARG 72 1HH1 ARG 72 0.809 5.850 10.122 508 2HH1 ARG 72 2HH1 ARG 72 -0.814 5.149 9.971 509 1HH2 ARG 72 1HH2 ARG 72 -2.272 7.740 8.280 510 2HH2 ARG 72 2HH2 ARG 72 -2.424 6.056 8.926 511 H ASP 73 H ASP 73 5.311 8.448 6.419 512 HA ASP 73 HA ASP 73 5.868 11.171 6.472 513 1HB ASP 73 1HB ASP 73 7.331 9.404 7.329 514 2HB ASP 73 2HB ASP 73 7.375 8.612 5.775 515 H PHE 74 H PHE 74 6.266 8.972 3.746 516 HA PHE 74 HA PHE 74 7.586 10.276 1.847 517 1HB PHE 74 1HB PHE 74 5.391 8.389 1.791 518 2HB PHE 74 2HB PHE 74 5.378 9.474 0.418 519 HD1 PHE 74 HD1 PHE 74 7.363 9.828 -1.036 520 HD2 PHE 74 HD2 PHE 74 6.795 6.466 1.567 521 HE1 PHE 74 HE1 PHE 74 8.897 8.466 -2.412 522 HE2 PHE 74 HE2 PHE 74 8.608 5.231 0.362 523 HZ PHE 74 HZ PHE 74 9.795 6.300 -1.493 524 H PHE 75 H PHE 75 4.154 10.948 2.407 525 HA PHE 75 HA PHE 75 4.293 13.226 0.491 526 1HB PHE 75 1HB PHE 75 1.813 11.951 1.490 527 2HB PHE 75 2HB PHE 75 2.082 12.786 -0.020 528 HD1 PHE 75 HD1 PHE 75 3.677 11.626 -1.756 529 HD2 PHE 75 HD2 PHE 75 2.043 9.562 1.662 530 HE1 PHE 75 HE1 PHE 75 4.248 9.441 -2.786 531 HE2 PHE 75 HE2 PHE 75 2.508 7.394 0.584 532 HZ PHE 75 HZ PHE 75 3.651 7.326 -1.622 533 H LYS 76 H LYS 76 4.503 12.863 3.859 534 HA LYS 76 HA LYS 76 2.389 14.826 4.467 535 1HB LYS 76 1HB LYS 76 3.901 12.851 5.974 536 2HB LYS 76 2HB LYS 76 4.091 14.433 6.703 537 1HG LYS 76 1HG LYS 76 2.235 13.725 7.782 538 2HG LYS 76 2HG LYS 76 1.463 14.635 6.493 539 1HD LYS 76 1HD LYS 76 1.970 11.638 6.572 540 2HD LYS 76 2HD LYS 76 0.446 12.366 7.037 541 1HE LYS 76 1HE LYS 76 -0.209 12.828 4.849 542 2HE LYS 76 2HE LYS 76 1.438 12.841 4.216 543 1HZ LYS 76 1HZ LYS 76 0.108 10.394 5.137 544 2HZ LYS 76 2HZ LYS 76 0.243 10.862 3.574 545 3HZ LYS 76 3HZ LYS 76 1.604 10.539 4.457 546 H LYS 77 H LYS 77 5.958 14.911 3.967 547 HA LYS 77 HA LYS 77 5.866 17.626 3.406 548 1HB LYS 77 1HB LYS 77 7.288 18.432 5.047 549 2HB LYS 77 2HB LYS 77 5.928 17.759 5.945 550 1HG LYS 77 1HG LYS 77 8.670 16.436 5.579 551 2HG LYS 77 2HG LYS 77 8.215 17.427 6.945 552 1HD LYS 77 1HD LYS 77 7.157 15.796 8.006 553 2HD LYS 77 2HD LYS 77 6.206 15.331 6.612 554 1HE LYS 77 1HE LYS 77 9.111 14.504 7.077 555 2HE LYS 77 2HE LYS 77 7.714 13.516 7.509 556 1HZ LYS 77 1HZ LYS 77 8.321 14.326 4.710 557 2HZ LYS 77 2HZ LYS 77 8.667 12.870 5.478 558 3HZ LYS 77 3HZ LYS 77 7.146 13.312 5.187 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -5.931 2.307 8.159 2 2H ALA 1 2H ALA 1 -5.862 3.824 8.210 3 3H ALA 1 3H ALA 1 -7.185 3.132 7.928 4 HA ALA 1 HA ALA 1 -6.757 2.948 5.590 5 1HB ALA 1 1HB ALA 1 -4.170 4.301 6.379 6 2HB ALA 1 2HB ALA 1 -4.733 4.036 4.715 7 3HB ALA 1 3HB ALA 1 -5.715 5.011 5.828 8 H TYR 2 H TYR 2 -5.023 2.046 3.988 9 HA TYR 2 HA TYR 2 -4.031 -0.534 5.090 10 1HB TYR 2 1HB TYR 2 -5.277 0.312 2.445 11 2HB TYR 2 2HB TYR 2 -4.233 -1.081 2.540 12 HD1 TYR 2 HD1 TYR 2 -4.819 -3.063 3.932 13 HD2 TYR 2 HD2 TYR 2 -7.605 0.111 3.120 14 HE1 TYR 2 HE1 TYR 2 -6.694 -4.641 4.243 15 HE2 TYR 2 HE2 TYR 2 -9.483 -1.472 3.411 16 HH TYR 2 HH TYR 2 -9.972 -3.822 3.306 17 H VAL 3 H VAL 3 -2.008 -1.178 4.612 18 HA VAL 3 HA VAL 3 -0.304 0.573 2.908 19 HB VAL 3 HB VAL 3 0.279 -0.339 5.749 20 1HG1 VAL 3 1HG1 VAL 3 2.148 0.647 3.570 21 2HG1 VAL 3 2HG1 VAL 3 2.530 0.837 5.284 22 3HG1 VAL 3 3HG1 VAL 3 2.331 -0.785 4.605 23 1HG2 VAL 3 1HG2 VAL 3 0.249 2.384 4.353 24 2HG2 VAL 3 2HG2 VAL 3 -0.958 1.795 5.514 25 3HG2 VAL 3 3HG2 VAL 3 0.695 2.106 6.046 26 H ILE 4 H ILE 4 1.139 -0.366 1.705 27 HA ILE 4 HA ILE 4 0.722 -2.932 0.752 28 HB ILE 4 HB ILE 4 2.695 -2.338 -0.688 29 1HG1 ILE 4 1HG1 ILE 4 3.037 0.301 -0.573 30 2HG1 ILE 4 2HG1 ILE 4 2.918 0.078 1.156 31 1HG2 ILE 4 1HG2 ILE 4 0.263 -1.740 -1.132 32 2HG2 ILE 4 2HG2 ILE 4 0.646 -0.113 -0.538 33 3HG2 ILE 4 3HG2 ILE 4 1.469 -0.772 -1.965 34 1HD1 ILE 4 1HD1 ILE 4 4.879 -1.339 -0.697 35 2HD1 ILE 4 2HD1 ILE 4 5.216 0.135 0.237 36 3HD1 ILE 4 3HD1 ILE 4 4.912 -1.376 1.077 37 H THR 5 H THR 5 3.454 -1.760 2.638 38 HA THR 5 HA THR 5 5.185 -2.722 3.639 39 HB THR 5 HB THR 5 4.988 -4.736 4.873 40 HG1 THR 5 HG1 THR 5 2.823 -5.376 3.159 41 1HG2 THR 5 1HG2 THR 5 3.687 -2.835 5.637 42 2HG2 THR 5 2HG2 THR 5 2.247 -3.482 4.795 43 3HG2 THR 5 3HG2 THR 5 3.027 -4.426 6.081 44 H GLU 6 H GLU 6 6.236 -5.298 3.592 45 HA GLU 6 HA GLU 6 8.183 -4.928 1.592 46 1HB GLU 6 1HB GLU 6 8.412 -5.485 3.899 47 2HB GLU 6 2HB GLU 6 7.708 -7.075 3.658 48 1HG GLU 6 1HG GLU 6 9.598 -7.846 2.588 49 2HG GLU 6 2HG GLU 6 10.091 -6.238 2.091 50 HA PRO 7 HA PRO 7 6.966 -9.092 -0.285 51 1HB PRO 7 1HB PRO 7 3.996 -9.233 0.026 52 2HB PRO 7 2HB PRO 7 5.189 -10.551 0.095 53 1HG PRO 7 1HG PRO 7 4.092 -9.597 2.396 54 2HG PRO 7 2HG PRO 7 5.851 -9.926 2.303 55 1HD PRO 7 1HD PRO 7 4.451 -7.257 1.920 56 2HD PRO 7 2HD PRO 7 5.786 -7.650 3.016 57 H CYS 8 H CYS 8 4.923 -6.237 -0.552 58 HA CYS 8 HA CYS 8 4.014 -6.490 -3.230 59 1HB CYS 8 1HB CYS 8 3.125 -4.769 -1.812 60 2HB CYS 8 2HB CYS 8 4.752 -4.206 -1.435 61 H ILE 9 H ILE 9 7.234 -5.670 -1.886 62 HA ILE 9 HA ILE 9 7.992 -4.204 -4.230 63 HB ILE 9 HB ILE 9 9.676 -5.094 -1.878 64 1HG1 ILE 9 1HG1 ILE 9 9.547 -2.344 -1.952 65 2HG1 ILE 9 2HG1 ILE 9 7.948 -2.779 -2.603 66 1HG2 ILE 9 1HG2 ILE 9 10.332 -3.246 -4.265 67 2HG2 ILE 9 2HG2 ILE 9 11.325 -3.437 -2.811 68 3HG2 ILE 9 3HG2 ILE 9 11.138 -4.785 -3.920 69 1HD1 ILE 9 1HD1 ILE 9 9.062 -3.755 -0.006 70 2HD1 ILE 9 2HD1 ILE 9 7.906 -2.413 -0.212 71 3HD1 ILE 9 3HD1 ILE 9 7.428 -4.049 -0.695 72 H GLY 10 H GLY 10 7.406 -5.647 -5.832 73 1HA GLY 10 1HA GLY 10 9.677 -7.398 -6.720 74 2HA GLY 10 2HA GLY 10 7.973 -7.827 -6.979 75 H THR 11 H THR 11 9.945 -4.875 -7.229 76 HA THR 11 HA THR 11 10.015 -3.184 -8.639 77 HB THR 11 HB THR 11 11.534 -4.710 -9.705 78 HG1 THR 11 HG1 THR 11 11.213 -2.718 -10.674 79 1HG2 THR 11 1HG2 THR 11 9.252 -5.617 -11.512 80 2HG2 THR 11 2HG2 THR 11 10.976 -5.957 -11.750 81 3HG2 THR 11 3HG2 THR 11 10.145 -6.626 -10.349 82 H LYS 12 H LYS 12 9.038 -3.211 -11.442 83 HA LYS 12 HA LYS 12 6.753 -1.612 -10.980 84 1HB LYS 12 1HB LYS 12 8.017 -2.776 -13.475 85 2HB LYS 12 2HB LYS 12 6.621 -1.694 -13.550 86 1HG LYS 12 1HG LYS 12 8.866 -0.765 -11.821 87 2HG LYS 12 2HG LYS 12 9.226 -0.836 -13.548 88 1HD LYS 12 1HD LYS 12 7.246 0.529 -14.075 89 2HD LYS 12 2HD LYS 12 6.789 0.605 -12.368 90 1HE LYS 12 1HE LYS 12 9.404 1.699 -13.540 91 2HE LYS 12 2HE LYS 12 7.945 2.660 -13.194 92 1HZ LYS 12 1HZ LYS 12 9.515 1.203 -11.144 93 2HZ LYS 12 2HZ LYS 12 9.477 2.834 -11.397 94 3HZ LYS 12 3HZ LYS 12 8.137 2.155 -10.926 95 H CYS 13 H CYS 13 5.430 -3.068 -9.747 96 HA CYS 13 HA CYS 13 3.831 -5.118 -10.947 97 1HB CYS 13 1HB CYS 13 4.047 -4.727 -8.554 98 2HB CYS 13 2HB CYS 13 3.286 -3.147 -8.789 99 H ALA 14 H ALA 14 1.672 -4.933 -11.787 100 HA ALA 14 HA ALA 14 0.809 -2.228 -12.768 101 1HB ALA 14 1HB ALA 14 1.649 -3.625 -14.642 102 2HB ALA 14 2HB ALA 14 0.482 -4.894 -14.200 103 3HB ALA 14 3HB ALA 14 -0.093 -3.308 -14.755 104 H SER 15 H SER 15 0.150 -3.216 -10.210 105 HA SER 15 HA SER 15 -2.756 -3.281 -10.518 106 1HB SER 15 1HB SER 15 -1.259 -5.502 -9.066 107 2HB SER 15 2HB SER 15 -3.003 -5.211 -8.965 108 HG SER 15 HG SER 15 -2.381 -5.232 -11.533 109 H CYS 16 H CYS 16 -3.757 -2.315 -8.934 110 HA CYS 16 HA CYS 16 -4.256 -1.080 -7.223 111 1HB CYS 16 1HB CYS 16 -3.220 -0.665 -5.284 112 2HB CYS 16 2HB CYS 16 -3.166 -2.417 -5.538 113 H VAL 17 H VAL 17 -3.824 -0.345 -9.497 114 HA VAL 17 HA VAL 17 -2.695 2.410 -9.304 115 HB VAL 17 HB VAL 17 -2.604 0.838 -11.843 116 1HG1 VAL 17 1HG1 VAL 17 -2.420 3.306 -11.964 117 2HG1 VAL 17 2HG1 VAL 17 -1.035 3.250 -10.852 118 3HG1 VAL 17 3HG1 VAL 17 -0.915 2.517 -12.464 119 1HG2 VAL 17 1HG2 VAL 17 -0.393 0.945 -9.766 120 2HG2 VAL 17 2HG2 VAL 17 -1.195 -0.505 -10.416 121 3HG2 VAL 17 3HG2 VAL 17 -0.161 0.465 -11.461 122 H GLU 18 H GLU 18 -4.820 0.099 -10.809 123 HA GLU 18 HA GLU 18 -6.423 2.031 -12.318 124 1HB GLU 18 1HB GLU 18 -7.307 -0.479 -12.973 125 2HB GLU 18 2HB GLU 18 -6.033 0.439 -13.734 126 1HG GLU 18 1HG GLU 18 -5.445 -1.924 -13.354 127 2HG GLU 18 2HG GLU 18 -4.302 -0.805 -12.634 128 H VAL 19 H VAL 19 -6.775 1.851 -9.332 129 HA VAL 19 HA VAL 19 -9.676 1.124 -9.348 130 HB VAL 19 HB VAL 19 -8.374 -0.924 -8.942 131 1HG1 VAL 19 1HG1 VAL 19 -6.412 0.013 -7.781 132 2HG1 VAL 19 2HG1 VAL 19 -7.425 0.422 -6.376 133 3HG1 VAL 19 3HG1 VAL 19 -7.185 -1.268 -6.841 134 1HG2 VAL 19 1HG2 VAL 19 -10.633 -0.716 -8.062 135 2HG2 VAL 19 2HG2 VAL 19 -9.615 -1.654 -6.955 136 3HG2 VAL 19 3HG2 VAL 19 -10.009 0.035 -6.576 137 H CYS 20 H CYS 20 -7.077 2.761 -7.440 138 HA CYS 20 HA CYS 20 -8.666 3.079 -5.266 139 1HB CYS 20 1HB CYS 20 -6.267 3.462 -5.273 140 2HB CYS 20 2HB CYS 20 -6.615 4.954 -6.148 141 HA PRO 21 HA PRO 21 -12.003 5.816 -6.509 142 1HB PRO 21 1HB PRO 21 -11.850 6.452 -3.540 143 2HB PRO 21 2HB PRO 21 -13.302 6.168 -4.541 144 1HG PRO 21 1HG PRO 21 -12.305 4.193 -2.958 145 2HG PRO 21 2HG PRO 21 -12.831 3.819 -4.628 146 1HD PRO 21 1HD PRO 21 -9.985 4.251 -3.646 147 2HD PRO 21 2HD PRO 21 -10.673 3.035 -4.772 148 H VAL 22 H VAL 22 -9.527 7.019 -4.212 149 HA VAL 22 HA VAL 22 -9.452 9.652 -5.596 150 HB VAL 22 HB VAL 22 -9.505 9.303 -2.557 151 1HG1 VAL 22 1HG1 VAL 22 -9.539 11.766 -4.363 152 2HG1 VAL 22 2HG1 VAL 22 -9.664 11.782 -2.593 153 3HG1 VAL 22 3HG1 VAL 22 -8.171 11.233 -3.363 154 1HG2 VAL 22 1HG2 VAL 22 -11.701 10.302 -4.409 155 2HG2 VAL 22 2HG2 VAL 22 -11.762 8.877 -3.347 156 3HG2 VAL 22 3HG2 VAL 22 -11.683 10.490 -2.641 157 H ASP 23 H ASP 23 -7.649 8.664 -6.593 158 HA ASP 23 HA ASP 23 -5.657 7.236 -6.195 159 1HB ASP 23 1HB ASP 23 -5.596 8.842 -7.980 160 2HB ASP 23 2HB ASP 23 -5.176 10.134 -6.817 161 H CYS 24 H CYS 24 -4.651 6.506 -4.548 162 HA CYS 24 HA CYS 24 -3.092 8.295 -2.695 163 1HB CYS 24 1HB CYS 24 -4.295 5.539 -2.348 164 2HB CYS 24 2HB CYS 24 -3.333 6.371 -1.097 165 HG CYS 24 HG CYS 24 -6.051 7.526 -2.459 166 H ILE 25 H ILE 25 -2.695 6.492 -5.474 167 HA ILE 25 HA ILE 25 -0.702 4.594 -4.298 168 HB ILE 25 HB ILE 25 -1.121 3.251 -6.425 169 1HG1 ILE 25 1HG1 ILE 25 -3.526 3.122 -7.014 170 2HG1 ILE 25 2HG1 ILE 25 -3.839 4.651 -6.201 171 1HG2 ILE 25 1HG2 ILE 25 -3.032 3.374 -4.063 172 2HG2 ILE 25 2HG2 ILE 25 -2.887 1.983 -5.147 173 3HG2 ILE 25 3HG2 ILE 25 -1.503 2.468 -4.172 174 1HD1 ILE 25 1HD1 ILE 25 -1.877 4.327 -8.524 175 2HD1 ILE 25 2HD1 ILE 25 -3.591 4.773 -8.714 176 3HD1 ILE 25 3HD1 ILE 25 -2.492 5.841 -7.857 177 H HIS 26 H HIS 26 1.247 5.389 -4.409 178 HA HIS 26 HA HIS 26 2.087 6.906 -6.856 179 1HB HIS 26 1HB HIS 26 2.835 7.097 -3.933 180 2HB HIS 26 2HB HIS 26 3.449 8.115 -5.234 181 HD1 HIS 26 HD1 HIS 26 0.801 9.022 -6.684 182 HD2 HIS 26 HD2 HIS 26 0.935 8.118 -2.604 183 HE1 HIS 26 HE1 HIS 26 -1.280 10.058 -5.658 184 H GLU 27 H GLU 27 4.259 6.424 -7.639 185 HA GLU 27 HA GLU 27 5.280 3.853 -6.718 186 1HB GLU 27 1HB GLU 27 6.563 5.795 -8.632 187 2HB GLU 27 2HB GLU 27 7.140 4.182 -8.185 188 1HG GLU 27 1HG GLU 27 4.992 3.197 -8.877 189 2HG GLU 27 2HG GLU 27 4.527 4.778 -9.567 190 H GLY 28 H GLY 28 6.424 3.556 -5.004 191 1HA GLY 28 1HA GLY 28 8.172 5.659 -3.809 192 2HA GLY 28 2HA GLY 28 7.849 4.049 -3.137 193 H GLU 29 H GLU 29 9.231 5.729 -5.875 194 HA GLU 29 HA GLU 29 10.952 5.525 -7.215 195 1HB GLU 29 1HB GLU 29 11.919 3.597 -5.106 196 2HB GLU 29 2HB GLU 29 12.872 4.072 -6.527 197 1HG GLU 29 1HG GLU 29 13.560 5.477 -4.713 198 2HG GLU 29 2HG GLU 29 12.611 6.487 -5.809 199 H ASP 30 H ASP 30 9.830 2.253 -6.277 200 HA ASP 30 HA ASP 30 9.645 1.728 -9.164 201 1HB ASP 30 1HB ASP 30 11.847 0.784 -7.968 202 2HB ASP 30 2HB ASP 30 10.752 -0.486 -7.443 203 H GLN 31 H GLN 31 7.967 1.457 -6.296 204 HA GLN 31 HA GLN 31 6.064 -0.505 -7.446 205 1HB GLN 31 1HB GLN 31 6.045 -1.659 -5.170 206 2HB GLN 31 2HB GLN 31 7.424 -1.936 -6.212 207 1HG GLN 31 1HG GLN 31 8.576 -1.615 -4.339 208 2HG GLN 31 2HG GLN 31 8.583 0.047 -4.820 209 1HE2 GLN 31 2HE2 GLN 31 5.352 -0.467 -3.637 210 2HE2 GLN 31 1HE2 GLN 31 5.751 0.018 -2.022 211 H TYR 32 H TYR 32 3.942 -0.254 -6.620 212 HA TYR 32 HA TYR 32 3.463 2.484 -5.989 213 1HB TYR 32 1HB TYR 32 1.557 0.162 -6.254 214 2HB TYR 32 2HB TYR 32 1.064 1.813 -5.922 215 HD1 TYR 32 HD1 TYR 32 2.643 -0.393 -8.480 216 HD2 TYR 32 HD2 TYR 32 1.298 3.602 -7.565 217 HE1 TYR 32 HE1 TYR 32 3.254 0.348 -10.763 218 HE2 TYR 32 HE2 TYR 32 1.811 4.302 -9.883 219 HH TYR 32 HH TYR 32 3.852 2.996 -11.775 220 H TYR 33 H TYR 33 2.887 3.458 -4.219 221 HA TYR 33 HA TYR 33 3.154 2.197 -1.546 222 1HB TYR 33 1HB TYR 33 4.590 4.350 -2.881 223 2HB TYR 33 2HB TYR 33 3.660 5.003 -1.559 224 HD1 TYR 33 HD1 TYR 33 6.191 2.503 -2.576 225 HD2 TYR 33 HD2 TYR 33 4.368 4.574 0.719 226 HE1 TYR 33 HE1 TYR 33 8.069 1.866 -1.107 227 HE2 TYR 33 HE2 TYR 33 6.107 3.658 2.246 228 HH TYR 33 HH TYR 33 8.703 1.510 1.065 229 H ILE 34 H ILE 34 1.229 2.637 -0.312 230 HA ILE 34 HA ILE 34 -0.831 4.229 -1.620 231 HB ILE 34 HB ILE 34 -0.826 2.140 0.561 232 1HG1 ILE 34 1HG1 ILE 34 -2.511 2.340 -1.980 233 2HG1 ILE 34 2HG1 ILE 34 -0.926 1.564 -1.955 234 1HG2 ILE 34 1HG2 ILE 34 -3.047 4.098 -0.113 235 2HG2 ILE 34 2HG2 ILE 34 -3.328 2.576 0.758 236 3HG2 ILE 34 3HG2 ILE 34 -2.305 3.806 1.470 237 1HD1 ILE 34 1HD1 ILE 34 -1.737 -0.035 -0.232 238 2HD1 ILE 34 2HD1 ILE 34 -3.356 0.685 -0.352 239 3HD1 ILE 34 3HD1 ILE 34 -2.636 -0.097 -1.765 240 H ASP 35 H ASP 35 -1.119 6.411 -0.841 241 HA ASP 35 HA ASP 35 0.219 7.269 1.570 242 1HB ASP 35 1HB ASP 35 -0.615 8.908 -0.237 243 2HB ASP 35 2HB ASP 35 -2.206 8.683 0.512 244 HA PRO 36 HA PRO 36 -2.964 5.180 3.983 245 1HB PRO 36 1HB PRO 36 -1.962 5.552 6.467 246 2HB PRO 36 2HB PRO 36 -1.225 4.383 5.326 247 1HG PRO 36 1HG PRO 36 -0.360 7.210 5.990 248 2HG PRO 36 2HG PRO 36 0.682 5.767 5.808 249 1HD PRO 36 1HD PRO 36 0.262 7.663 3.843 250 2HD PRO 36 2HD PRO 36 0.567 5.962 3.447 251 H ASP 37 H ASP 37 -2.024 8.520 4.241 252 HA ASP 37 HA ASP 37 -4.207 9.200 6.127 253 1HB ASP 37 1HB ASP 37 -2.146 10.988 4.842 254 2HB ASP 37 2HB ASP 37 -3.246 11.382 6.172 255 H VAL 38 H VAL 38 -3.348 9.377 2.632 256 HA VAL 38 HA VAL 38 -5.851 10.872 2.116 257 HB VAL 38 HB VAL 38 -4.105 9.471 0.078 258 1HG1 VAL 38 1HG1 VAL 38 -6.427 9.941 -0.697 259 2HG1 VAL 38 2HG1 VAL 38 -6.234 11.632 -0.202 260 3HG1 VAL 38 3HG1 VAL 38 -5.233 10.952 -1.505 261 1HG2 VAL 38 1HG2 VAL 38 -3.855 12.078 1.533 262 2HG2 VAL 38 2HG2 VAL 38 -2.629 11.125 0.683 263 3HG2 VAL 38 3HG2 VAL 38 -3.706 12.175 -0.227 264 H CYS 39 H CYS 39 -4.822 7.414 2.070 265 HA CYS 39 HA CYS 39 -7.251 6.416 0.987 266 1HB CYS 39 1HB CYS 39 -5.204 5.101 1.155 267 2HB CYS 39 2HB CYS 39 -5.280 5.233 2.909 268 H ILE 40 H ILE 40 -9.081 5.547 1.929 269 HA ILE 40 HA ILE 40 -9.775 6.454 4.703 270 HB ILE 40 HB ILE 40 -12.071 6.819 3.769 271 1HG1 ILE 40 1HG1 ILE 40 -10.742 6.741 1.020 272 2HG1 ILE 40 2HG1 ILE 40 -11.616 5.354 1.679 273 1HG2 ILE 40 1HG2 ILE 40 -10.408 8.651 4.142 274 2HG2 ILE 40 2HG2 ILE 40 -9.914 8.514 2.446 275 3HG2 ILE 40 3HG2 ILE 40 -11.563 9.012 2.859 276 1HD1 ILE 40 1HD1 ILE 40 -12.863 8.100 1.263 277 2HD1 ILE 40 2HD1 ILE 40 -13.004 6.716 0.167 278 3HD1 ILE 40 3HD1 ILE 40 -13.681 6.616 1.805 279 H ASP 41 H ASP 41 -8.660 3.924 4.118 280 HA ASP 41 HA ASP 41 -8.965 1.669 4.353 281 1HB ASP 41 1HB ASP 41 -11.012 2.684 6.355 282 2HB ASP 41 2HB ASP 41 -10.512 0.997 6.241 283 H CYS 42 H CYS 42 -10.221 2.544 2.044 284 HA CYS 42 HA CYS 42 -12.927 1.544 1.959 285 1HB CYS 42 1HB CYS 42 -13.072 2.302 -0.097 286 2HB CYS 42 2HB CYS 42 -11.759 3.342 0.430 287 H GLY 43 H GLY 43 -13.632 -0.163 0.413 288 1HA GLY 43 1HA GLY 43 -12.011 -2.642 0.749 289 2HA GLY 43 2HA GLY 43 -13.708 -2.520 0.271 290 H ALA 44 H ALA 44 -10.542 -1.238 -0.926 291 HA ALA 44 HA ALA 44 -10.733 -2.762 -3.353 292 1HB ALA 44 1HB ALA 44 -12.257 -0.650 -3.755 293 2HB ALA 44 2HB ALA 44 -10.723 0.244 -3.814 294 3HB ALA 44 3HB ALA 44 -11.038 -1.081 -4.955 295 H CYS 45 H CYS 45 -8.742 -2.544 -4.561 296 HA CYS 45 HA CYS 45 -6.551 -2.431 -4.850 297 1HB CYS 45 1HB CYS 45 -5.055 -1.000 -3.996 298 2HB CYS 45 2HB CYS 45 -6.514 -0.063 -4.105 299 H GLU 46 H GLU 46 -7.261 -2.520 -1.377 300 HA GLU 46 HA GLU 46 -5.508 -4.264 -0.382 301 1HB GLU 46 1HB GLU 46 -7.453 -5.117 1.128 302 2HB GLU 46 2HB GLU 46 -6.893 -3.447 1.146 303 1HG GLU 46 1HG GLU 46 -9.202 -3.266 1.286 304 2HG GLU 46 2HG GLU 46 -8.864 -2.815 -0.349 305 H ALA 47 H ALA 47 -8.519 -5.608 -1.834 306 HA ALA 47 HA ALA 47 -7.379 -8.299 -1.842 307 1HB ALA 47 1HB ALA 47 -9.753 -7.860 -1.351 308 2HB ALA 47 2HB ALA 47 -9.972 -7.188 -2.981 309 3HB ALA 47 3HB ALA 47 -9.569 -8.907 -2.774 310 H VAL 48 H VAL 48 -6.970 -5.661 -4.004 311 HA VAL 48 HA VAL 48 -7.239 -7.158 -6.489 312 HB VAL 48 HB VAL 48 -6.160 -4.410 -5.822 313 1HG1 VAL 48 1HG1 VAL 48 -6.529 -5.705 -8.525 314 2HG1 VAL 48 2HG1 VAL 48 -6.261 -3.968 -8.242 315 3HG1 VAL 48 3HG1 VAL 48 -5.017 -5.131 -7.779 316 1HG2 VAL 48 1HG2 VAL 48 -8.625 -4.675 -5.522 317 2HG2 VAL 48 2HG2 VAL 48 -8.250 -3.652 -6.919 318 3HG2 VAL 48 3HG2 VAL 48 -8.739 -5.337 -7.166 319 H CYS 49 H CYS 49 -4.633 -6.205 -4.208 320 HA CYS 49 HA CYS 49 -2.479 -6.983 -5.845 321 1HB CYS 49 1HB CYS 49 -2.402 -5.791 -3.574 322 2HB CYS 49 2HB CYS 49 -2.521 -7.417 -2.871 323 HA PRO 50 HA PRO 50 -3.835 -11.278 -6.046 324 1HB PRO 50 1HB PRO 50 -1.814 -12.350 -7.605 325 2HB PRO 50 2HB PRO 50 -3.174 -11.377 -8.227 326 1HG PRO 50 1HG PRO 50 -0.356 -10.478 -7.622 327 2HG PRO 50 2HG PRO 50 -1.382 -10.055 -9.024 328 1HD PRO 50 1HD PRO 50 -1.050 -8.414 -6.853 329 2HD PRO 50 2HD PRO 50 -2.574 -8.461 -7.787 330 H VAL 51 H VAL 51 -1.093 -10.122 -4.434 331 HA VAL 51 HA VAL 51 -0.345 -12.747 -3.293 332 HB VAL 51 HB VAL 51 1.724 -11.938 -3.096 333 1HG1 VAL 51 1HG1 VAL 51 1.195 -11.152 -5.424 334 2HG1 VAL 51 2HG1 VAL 51 0.805 -9.546 -4.755 335 3HG1 VAL 51 3HG1 VAL 51 2.442 -10.187 -4.622 336 1HG2 VAL 51 1HG2 VAL 51 0.593 -9.251 -2.244 337 2HG2 VAL 51 2HG2 VAL 51 1.290 -10.520 -1.189 338 3HG2 VAL 51 3HG2 VAL 51 2.326 -9.651 -2.324 339 H SER 52 H SER 52 -2.305 -9.947 -2.700 340 HA SER 52 HA SER 52 -3.219 -8.970 -0.906 341 1HB SER 52 1HB SER 52 -3.184 -11.789 0.219 342 2HB SER 52 2HB SER 52 -4.290 -10.472 0.653 343 HG SER 52 HG SER 52 -4.411 -10.663 -1.965 344 H ALA 53 H ALA 53 -0.683 -8.340 -0.901 345 HA ALA 53 HA ALA 53 0.638 -8.842 1.686 346 1HB ALA 53 1HB ALA 53 1.237 -6.895 -0.594 347 2HB ALA 53 2HB ALA 53 2.259 -7.160 0.835 348 3HB ALA 53 3HB ALA 53 1.997 -8.472 -0.316 349 H ILE 54 H ILE 54 -1.501 -6.503 0.184 350 HA ILE 54 HA ILE 54 -0.945 -4.296 1.875 351 HB ILE 54 HB ILE 54 -3.491 -4.956 0.353 352 1HG1 ILE 54 1HG1 ILE 54 -1.000 -3.483 -0.598 353 2HG1 ILE 54 2HG1 ILE 54 -1.553 -5.051 -1.184 354 1HG2 ILE 54 1HG2 ILE 54 -3.624 -3.134 2.046 355 2HG2 ILE 54 2HG2 ILE 54 -2.304 -2.277 1.231 356 3HG2 ILE 54 3HG2 ILE 54 -3.873 -2.516 0.423 357 1HD1 ILE 54 1HD1 ILE 54 -3.646 -4.007 -2.000 358 2HD1 ILE 54 2HD1 ILE 54 -2.990 -2.407 -1.586 359 3HD1 ILE 54 3HD1 ILE 54 -2.187 -3.401 -2.798 360 H TYR 55 H TYR 55 -1.437 -4.101 4.058 361 HA TYR 55 HA TYR 55 -3.865 -5.457 5.127 362 1HB TYR 55 1HB TYR 55 -1.079 -5.252 6.300 363 2HB TYR 55 2HB TYR 55 -2.470 -5.694 7.233 364 HD1 TYR 55 HD1 TYR 55 -3.922 -7.704 5.816 365 HD2 TYR 55 HD2 TYR 55 0.341 -7.032 5.735 366 HE1 TYR 55 HE1 TYR 55 -3.582 -9.935 4.801 367 HE2 TYR 55 HE2 TYR 55 0.672 -9.291 4.788 368 HH TYR 55 HH TYR 55 -1.476 -10.805 3.132 369 H HIS 56 H HIS 56 -4.511 -4.378 7.214 370 HA HIS 56 HA HIS 56 -4.518 -1.531 6.853 371 1HB HIS 56 1HB HIS 56 -5.440 -3.260 9.090 372 2HB HIS 56 2HB HIS 56 -5.486 -1.505 9.094 373 HD1 HIS 56 HD1 HIS 56 -7.532 -0.326 7.639 374 HD2 HIS 56 HD2 HIS 56 -7.079 -4.518 7.405 375 HE1 HIS 56 HE1 HIS 56 -9.684 -1.235 6.705 376 H GLU 57 H GLU 57 -3.483 0.064 8.153 377 HA GLU 57 HA GLU 57 -0.831 -0.402 8.733 378 1HB GLU 57 1HB GLU 57 -2.824 1.510 10.100 379 2HB GLU 57 2HB GLU 57 -1.077 1.739 10.099 380 1HG GLU 57 1HG GLU 57 -0.967 2.494 7.985 381 2HG GLU 57 2HG GLU 57 -2.523 1.792 7.489 382 H ASP 58 H ASP 58 -3.598 -0.802 10.963 383 HA ASP 58 HA ASP 58 -1.913 -1.065 13.281 384 1HB ASP 58 1HB ASP 58 -3.985 -1.776 14.319 385 2HB ASP 58 2HB ASP 58 -4.306 -0.335 13.348 386 H PHE 59 H PHE 59 -2.892 -3.068 10.616 387 HA PHE 59 HA PHE 59 -2.785 -5.587 12.157 388 1HB PHE 59 1HB PHE 59 -4.486 -5.043 10.398 389 2HB PHE 59 2HB PHE 59 -3.205 -5.134 9.202 390 HD1 PHE 59 HD1 PHE 59 -1.970 -7.410 8.887 391 HD2 PHE 59 HD2 PHE 59 -5.554 -6.980 11.257 392 HE1 PHE 59 HE1 PHE 59 -2.413 -9.831 8.661 393 HE2 PHE 59 HE2 PHE 59 -5.985 -9.408 11.033 394 HZ PHE 59 HZ PHE 59 -4.421 -10.839 9.731 395 H VAL 60 H VAL 60 -0.916 -3.787 9.721 396 HA VAL 60 HA VAL 60 0.995 -5.677 9.014 397 HB VAL 60 HB VAL 60 1.164 -2.677 9.409 398 1HG1 VAL 60 1HG1 VAL 60 3.278 -4.601 8.370 399 2HG1 VAL 60 2HG1 VAL 60 3.283 -2.872 7.991 400 3HG1 VAL 60 3HG1 VAL 60 3.446 -3.393 9.665 401 1HG2 VAL 60 1HG2 VAL 60 0.981 -4.535 6.991 402 2HG2 VAL 60 2HG2 VAL 60 -0.309 -3.496 7.606 403 3HG2 VAL 60 3HG2 VAL 60 1.123 -2.774 6.887 404 HA PRO 61 HA PRO 61 2.892 -6.658 12.982 405 1HB PRO 61 1HB PRO 61 5.275 -7.286 11.224 406 2HB PRO 61 2HB PRO 61 4.616 -8.238 12.583 407 1HG PRO 61 1HG PRO 61 4.052 -8.952 10.025 408 2HG PRO 61 2HG PRO 61 2.753 -8.956 11.257 409 1HD PRO 61 1HD PRO 61 3.321 -6.864 9.157 410 2HD PRO 61 2HD PRO 61 1.764 -7.563 9.698 411 H GLU 62 H GLU 62 4.343 -5.675 14.493 412 HA GLU 62 HA GLU 62 5.154 -3.136 14.457 413 1HB GLU 62 1HB GLU 62 5.869 -5.712 15.848 414 2HB GLU 62 2HB GLU 62 6.706 -4.230 16.189 415 1HG GLU 62 1HG GLU 62 4.731 -4.650 17.714 416 2HG GLU 62 2HG GLU 62 4.695 -3.087 16.887 417 H GLU 63 H GLU 63 7.198 -5.945 13.494 418 HA GLU 63 HA GLU 63 9.613 -4.648 12.934 419 1HB GLU 63 1HB GLU 63 8.278 -6.812 11.266 420 2HB GLU 63 2HB GLU 63 9.993 -6.401 11.310 421 1HG GLU 63 1HG GLU 63 10.043 -8.176 12.722 422 2HG GLU 63 2HG GLU 63 9.700 -6.940 13.934 423 H TRP 64 H TRP 64 6.644 -4.811 10.995 424 HA TRP 64 HA TRP 64 7.833 -3.164 8.827 425 1HB TRP 64 1HB TRP 64 5.479 -5.040 8.997 426 2HB TRP 64 2HB TRP 64 5.736 -3.966 7.624 427 HD1 TRP 64 HD1 TRP 64 9.119 -4.843 8.064 428 HE1 TRP 64 HE1 TRP 64 9.803 -6.838 6.564 429 HE3 TRP 64 HE3 TRP 64 4.480 -6.799 7.019 430 HZ2 TRP 64 HZ2 TRP 64 8.583 -9.047 5.324 431 HZ3 TRP 64 HZ3 TRP 64 4.294 -8.777 5.542 432 HH2 TRP 64 HH2 TRP 64 6.379 -9.800 4.566 433 H LYS 65 H LYS 65 6.109 -2.594 11.656 434 HA LYS 65 HA LYS 65 4.294 -0.554 10.854 435 1HB LYS 65 1HB LYS 65 5.463 -1.494 13.273 436 2HB LYS 65 2HB LYS 65 5.681 0.200 13.228 437 1HG LYS 65 1HG LYS 65 3.693 -0.278 14.396 438 2HG LYS 65 2HG LYS 65 3.169 0.440 12.856 439 1HD LYS 65 1HD LYS 65 2.599 -1.818 12.002 440 2HD LYS 65 2HD LYS 65 3.332 -2.560 13.422 441 1HE LYS 65 1HE LYS 65 1.562 -1.179 14.800 442 2HE LYS 65 2HE LYS 65 0.726 -1.048 13.244 443 1HZ LYS 65 1HZ LYS 65 1.089 -3.585 13.247 444 2HZ LYS 65 2HZ LYS 65 1.363 -3.409 14.858 445 3HZ LYS 65 3HZ LYS 65 -0.115 -3.021 14.188 446 H SER 66 H SER 66 7.855 -0.650 11.035 447 HA SER 66 HA SER 66 8.632 1.911 10.572 448 1HB SER 66 1HB SER 66 9.683 -0.305 8.866 449 2HB SER 66 2HB SER 66 10.561 0.974 9.715 450 HG SER 66 HG SER 66 9.848 -1.524 10.625 451 H TYR 67 H TYR 67 7.092 -0.309 8.168 452 HA TYR 67 HA TYR 67 7.380 1.555 5.974 453 1HB TYR 67 1HB TYR 67 5.562 -0.843 6.310 454 2HB TYR 67 2HB TYR 67 5.597 0.226 4.912 455 HD1 TYR 67 HD1 TYR 67 7.546 0.371 3.422 456 HD2 TYR 67 HD2 TYR 67 7.350 -2.524 6.601 457 HE1 TYR 67 HE1 TYR 67 9.343 -0.952 2.334 458 HE2 TYR 67 HE2 TYR 67 9.164 -3.826 5.529 459 HH TYR 67 HH TYR 67 10.613 -4.001 3.700 460 H ILE 68 H ILE 68 4.876 1.127 8.597 461 HA ILE 68 HA ILE 68 2.840 2.572 7.184 462 HB ILE 68 HB ILE 68 3.385 1.776 10.066 463 1HG1 ILE 68 1HG1 ILE 68 1.394 0.515 9.874 464 2HG1 ILE 68 2HG1 ILE 68 1.007 1.208 8.297 465 1HG2 ILE 68 1HG2 ILE 68 1.197 3.599 9.101 466 2HG2 ILE 68 2HG2 ILE 68 1.234 2.767 10.679 467 3HG2 ILE 68 3HG2 ILE 68 2.481 3.959 10.294 468 1HD1 ILE 68 1HD1 ILE 68 2.941 0.008 7.298 469 2HD1 ILE 68 2HD1 ILE 68 3.288 -0.689 8.894 470 3HD1 ILE 68 3HD1 ILE 68 1.757 -1.025 8.060 471 H GLN 69 H GLN 69 5.512 3.386 9.424 472 HA GLN 69 HA GLN 69 5.044 6.184 9.465 473 1HB GLN 69 1HB GLN 69 6.668 4.591 10.836 474 2HB GLN 69 2HB GLN 69 7.827 5.027 9.588 475 1HG GLN 69 1HG GLN 69 6.287 6.848 11.502 476 2HG GLN 69 2HG GLN 69 8.020 6.522 11.538 477 1HE2 GLN 69 2HE2 GLN 69 9.160 7.116 9.292 478 2HE2 GLN 69 1HE2 GLN 69 8.668 8.680 8.658 479 H LYS 70 H LYS 70 7.152 4.180 7.303 480 HA LYS 70 HA LYS 70 8.093 6.378 5.831 481 1HB LYS 70 1HB LYS 70 8.996 3.978 5.764 482 2HB LYS 70 2HB LYS 70 7.621 3.578 4.743 483 1HG LYS 70 1HG LYS 70 9.511 3.932 3.280 484 2HG LYS 70 2HG LYS 70 8.361 5.212 3.067 485 1HD LYS 70 1HD LYS 70 10.091 6.292 5.039 486 2HD LYS 70 2HD LYS 70 11.147 5.267 4.089 487 1HE LYS 70 1HE LYS 70 11.196 7.470 3.113 488 2HE LYS 70 2HE LYS 70 10.332 6.410 1.998 489 1HZ LYS 70 1HZ LYS 70 8.236 7.370 3.155 490 2HZ LYS 70 2HZ LYS 70 9.256 8.503 3.771 491 3HZ LYS 70 3HZ LYS 70 9.100 8.356 2.155 492 H ASN 71 H ASN 71 5.311 4.384 5.282 493 HA ASN 71 HA ASN 71 4.305 5.516 2.866 494 1HB ASN 71 1HB ASN 71 3.103 3.924 5.086 495 2HB ASN 71 2HB ASN 71 2.062 4.624 3.879 496 1HD2 ASN 71 2HD2 ASN 71 4.797 2.378 4.235 497 2HD2 ASN 71 1HD2 ASN 71 4.483 1.529 2.722 498 H ARG 72 H ARG 72 3.737 6.440 6.317 499 HA ARG 72 HA ARG 72 1.870 8.503 5.924 500 1HB ARG 72 1HB ARG 72 2.780 7.366 8.055 501 2HB ARG 72 2HB ARG 72 4.145 8.443 7.946 502 1HG ARG 72 1HG ARG 72 3.090 9.988 9.070 503 2HG ARG 72 2HG ARG 72 1.922 10.167 7.748 504 1HD ARG 72 1HD ARG 72 1.757 8.101 10.007 505 2HD ARG 72 2HD ARG 72 0.846 9.614 9.929 506 HE ARG 72 HE ARG 72 -0.014 8.796 7.680 507 1HH1 ARG 72 1HH1 ARG 72 0.996 6.056 9.645 508 2HH1 ARG 72 2HH1 ARG 72 -0.606 5.305 9.481 509 1HH2 ARG 72 1HH2 ARG 72 -2.221 8.006 8.118 510 2HH2 ARG 72 2HH2 ARG 72 -2.289 6.256 8.577 511 H ASP 73 H ASP 73 5.355 8.465 6.236 512 HA ASP 73 HA ASP 73 5.961 11.182 6.066 513 1HB ASP 73 1HB ASP 73 7.275 9.491 7.185 514 2HB ASP 73 2HB ASP 73 7.416 8.532 5.720 515 H PHE 74 H PHE 74 6.084 8.696 3.549 516 HA PHE 74 HA PHE 74 7.596 9.700 1.572 517 1HB PHE 74 1HB PHE 74 5.286 8.003 1.629 518 2HB PHE 74 2HB PHE 74 5.273 9.046 0.216 519 HD1 PHE 74 HD1 PHE 74 7.068 9.106 -1.443 520 HD2 PHE 74 HD2 PHE 74 6.775 6.084 1.597 521 HE1 PHE 74 HE1 PHE 74 8.689 7.701 -2.670 522 HE2 PHE 74 HE2 PHE 74 8.652 4.828 0.521 523 HZ PHE 74 HZ PHE 74 9.656 5.669 -1.561 524 H PHE 75 H PHE 75 4.241 10.750 1.958 525 HA PHE 75 HA PHE 75 4.650 12.907 -0.033 526 1HB PHE 75 1HB PHE 75 2.057 11.980 1.099 527 2HB PHE 75 2HB PHE 75 2.367 12.742 -0.447 528 HD1 PHE 75 HD1 PHE 75 3.782 11.397 -2.181 529 HD2 PHE 75 HD2 PHE 75 2.171 9.567 1.378 530 HE1 PHE 75 HE1 PHE 75 4.261 9.143 -3.094 531 HE2 PHE 75 HE2 PHE 75 2.445 7.340 0.372 532 HZ PHE 75 HZ PHE 75 3.566 7.122 -1.838 533 H LYS 76 H LYS 76 5.064 12.764 3.227 534 HA LYS 76 HA LYS 76 3.607 15.321 3.865 535 1HB LYS 76 1HB LYS 76 4.394 12.841 5.425 536 2HB LYS 76 2HB LYS 76 4.205 14.393 6.230 537 1HG LYS 76 1HG LYS 76 2.224 12.837 6.286 538 2HG LYS 76 2HG LYS 76 1.888 14.503 5.797 539 1HD LYS 76 1HD LYS 76 1.477 13.941 3.559 540 2HD LYS 76 2HD LYS 76 2.365 12.417 3.662 541 1HE LYS 76 1HE LYS 76 0.068 12.477 5.508 542 2HE LYS 76 2HE LYS 76 -0.392 12.639 3.806 543 1HZ LYS 76 1HZ LYS 76 1.526 10.576 4.568 544 2HZ LYS 76 2HZ LYS 76 -0.085 10.334 4.816 545 3HZ LYS 76 3HZ LYS 76 0.454 10.642 3.285 546 H LYS 77 H LYS 77 5.391 16.497 2.697 547 HA LYS 77 HA LYS 77 7.782 16.823 4.227 548 1HB LYS 77 1HB LYS 77 7.798 14.547 2.747 549 2HB LYS 77 2HB LYS 77 8.217 15.668 1.474 550 1HG LYS 77 1HG LYS 77 10.243 16.220 2.393 551 2HG LYS 77 2HG LYS 77 9.764 15.960 4.068 552 1HD LYS 77 1HD LYS 77 9.874 13.603 2.175 553 2HD LYS 77 2HD LYS 77 11.356 14.245 2.891 554 1HE LYS 77 1HE LYS 77 10.433 12.341 4.218 555 2HE LYS 77 2HE LYS 77 10.595 13.833 5.150 556 1HZ LYS 77 1HZ LYS 77 8.152 14.117 4.907 557 2HZ LYS 77 2HZ LYS 77 8.078 12.711 4.073 558 3HZ LYS 77 3HZ LYS 77 8.619 12.691 5.599 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -6.401 2.143 8.210 2 2H ALA 1 2H ALA 1 -6.276 3.623 8.526 3 3H ALA 1 3H ALA 1 -7.564 3.078 7.936 4 HA ALA 1 HA ALA 1 -6.773 3.278 5.694 5 1HB ALA 1 1HB ALA 1 -5.452 5.140 6.799 6 2HB ALA 1 2HB ALA 1 -4.066 4.018 6.701 7 3HB ALA 1 3HB ALA 1 -4.947 4.479 5.222 8 H TYR 2 H TYR 2 -5.380 2.225 4.102 9 HA TYR 2 HA TYR 2 -4.302 -0.386 5.055 10 1HB TYR 2 1HB TYR 2 -5.593 0.545 2.485 11 2HB TYR 2 2HB TYR 2 -4.551 -0.862 2.521 12 HD1 TYR 2 HD1 TYR 2 -7.705 0.534 3.967 13 HD2 TYR 2 HD2 TYR 2 -5.251 -2.972 3.442 14 HE1 TYR 2 HE1 TYR 2 -9.649 -0.919 4.493 15 HE2 TYR 2 HE2 TYR 2 -7.205 -4.410 3.880 16 HH TYR 2 HH TYR 2 -9.595 -4.293 3.666 17 H VAL 3 H VAL 3 -2.299 -1.014 4.520 18 HA VAL 3 HA VAL 3 -0.540 0.844 2.979 19 HB VAL 3 HB VAL 3 -0.125 -0.181 5.824 20 1HG1 VAL 3 1HG1 VAL 3 1.802 1.118 3.877 21 2HG1 VAL 3 2HG1 VAL 3 2.069 1.082 5.626 22 3HG1 VAL 3 3HG1 VAL 3 1.988 -0.428 4.749 23 1HG2 VAL 3 1HG2 VAL 3 -0.292 2.600 4.574 24 2HG2 VAL 3 2HG2 VAL 3 -1.449 1.876 5.719 25 3HG2 VAL 3 3HG2 VAL 3 0.178 2.296 6.253 26 H ILE 4 H ILE 4 1.024 -0.099 1.763 27 HA ILE 4 HA ILE 4 1.013 -2.915 1.230 28 HB ILE 4 HB ILE 4 2.631 -2.344 -0.398 29 1HG1 ILE 4 1HG1 ILE 4 3.338 0.184 -0.561 30 2HG1 ILE 4 2HG1 ILE 4 3.149 0.174 1.187 31 1HG2 ILE 4 1HG2 ILE 4 0.275 -1.542 -0.797 32 2HG2 ILE 4 2HG2 ILE 4 0.808 0.081 -0.339 33 3HG2 ILE 4 3HG2 ILE 4 1.513 -0.734 -1.746 34 1HD1 ILE 4 1HD1 ILE 4 4.981 -1.560 -0.551 35 2HD1 ILE 4 2HD1 ILE 4 5.470 -0.196 0.471 36 3HD1 ILE 4 3HD1 ILE 4 4.916 -1.696 1.212 37 H THR 5 H THR 5 2.844 -4.383 1.623 38 HA THR 5 HA THR 5 4.995 -3.331 3.349 39 HB THR 5 HB THR 5 4.830 -5.346 4.811 40 HG1 THR 5 HG1 THR 5 2.299 -5.647 3.529 41 1HG2 THR 5 1HG2 THR 5 3.980 -3.125 5.555 42 2HG2 THR 5 2HG2 THR 5 2.364 -3.567 4.960 43 3HG2 THR 5 3HG2 THR 5 3.125 -4.510 6.252 44 H GLU 6 H GLU 6 6.763 -4.622 3.438 45 HA GLU 6 HA GLU 6 8.370 -5.365 1.756 46 1HB GLU 6 1HB GLU 6 8.539 -5.709 4.030 47 2HB GLU 6 2HB GLU 6 7.661 -7.202 4.022 48 1HG GLU 6 1HG GLU 6 9.473 -8.315 3.020 49 2HG GLU 6 2HG GLU 6 10.085 -6.845 2.292 50 HA PRO 7 HA PRO 7 7.074 -9.486 -0.207 51 1HB PRO 7 1HB PRO 7 4.091 -9.505 0.245 52 2HB PRO 7 2HB PRO 7 5.203 -10.892 0.057 53 1HG PRO 7 1HG PRO 7 4.358 -10.165 2.531 54 2HG PRO 7 2HG PRO 7 6.085 -10.554 2.265 55 1HD PRO 7 1HD PRO 7 4.784 -7.829 2.397 56 2HD PRO 7 2HD PRO 7 6.268 -8.424 3.174 57 H CYS 8 H CYS 8 5.012 -6.612 -0.329 58 HA CYS 8 HA CYS 8 4.088 -6.743 -3.001 59 1HB CYS 8 1HB CYS 8 3.250 -5.042 -1.516 60 2HB CYS 8 2HB CYS 8 4.894 -4.537 -1.122 61 H ILE 9 H ILE 9 7.297 -5.969 -1.662 62 HA ILE 9 HA ILE 9 8.056 -4.411 -3.945 63 HB ILE 9 HB ILE 9 9.631 -5.304 -1.548 64 1HG1 ILE 9 1HG1 ILE 9 9.409 -2.488 -1.733 65 2HG1 ILE 9 2HG1 ILE 9 7.861 -3.028 -2.324 66 1HG2 ILE 9 1HG2 ILE 9 10.471 -3.497 -3.855 67 2HG2 ILE 9 2HG2 ILE 9 11.329 -3.663 -2.310 68 3HG2 ILE 9 3HG2 ILE 9 11.232 -5.038 -3.402 69 1HD1 ILE 9 1HD1 ILE 9 7.366 -4.279 -0.422 70 2HD1 ILE 9 2HD1 ILE 9 8.931 -3.791 0.330 71 3HD1 ILE 9 3HD1 ILE 9 7.677 -2.576 -0.058 72 H GLY 10 H GLY 10 7.640 -5.610 -5.682 73 1HA GLY 10 1HA GLY 10 10.011 -7.164 -6.601 74 2HA GLY 10 2HA GLY 10 8.384 -7.837 -6.818 75 H THR 11 H THR 11 9.615 -4.488 -7.073 76 HA THR 11 HA THR 11 9.430 -2.924 -8.475 77 HB THR 11 HB THR 11 11.436 -4.248 -9.109 78 HG1 THR 11 HG1 THR 11 11.259 -2.150 -9.566 79 1HG2 THR 11 1HG2 THR 11 10.378 -5.972 -10.574 80 2HG2 THR 11 2HG2 THR 11 9.926 -4.692 -11.723 81 3HG2 THR 11 3HG2 THR 11 11.633 -5.031 -11.402 82 H LYS 12 H LYS 12 8.042 -1.721 -9.232 83 HA LYS 12 HA LYS 12 6.449 -0.749 -10.336 84 1HB LYS 12 1HB LYS 12 7.455 -2.594 -12.492 85 2HB LYS 12 2HB LYS 12 5.940 -1.726 -12.737 86 1HG LYS 12 1HG LYS 12 7.584 -0.311 -13.640 87 2HG LYS 12 2HG LYS 12 7.057 0.422 -12.136 88 1HD LYS 12 1HD LYS 12 9.217 -0.995 -11.199 89 2HD LYS 12 2HD LYS 12 9.684 -0.895 -12.884 90 1HE LYS 12 1HE LYS 12 10.697 0.912 -11.625 91 2HE LYS 12 2HE LYS 12 9.508 1.631 -12.730 92 1HZ LYS 12 1HZ LYS 12 8.791 0.945 -9.969 93 2HZ LYS 12 2HZ LYS 12 9.521 2.378 -10.269 94 3HZ LYS 12 3HZ LYS 12 8.075 2.035 -10.946 95 H CYS 13 H CYS 13 5.768 -4.208 -10.936 96 HA CYS 13 HA CYS 13 3.908 -5.462 -10.649 97 1HB CYS 13 1HB CYS 13 4.144 -5.058 -8.374 98 2HB CYS 13 2HB CYS 13 3.452 -3.448 -8.519 99 H ALA 14 H ALA 14 2.593 -2.185 -10.273 100 HA ALA 14 HA ALA 14 0.855 -1.076 -11.186 101 1HB ALA 14 1HB ALA 14 2.372 -1.164 -13.132 102 2HB ALA 14 2HB ALA 14 1.547 -2.632 -13.707 103 3HB ALA 14 3HB ALA 14 0.664 -1.097 -13.605 104 H SER 15 H SER 15 -0.039 -3.118 -9.647 105 HA SER 15 HA SER 15 -2.578 -3.894 -11.063 106 1HB SER 15 1HB SER 15 -1.387 -5.159 -8.586 107 2HB SER 15 2HB SER 15 -2.884 -5.624 -9.404 108 HG SER 15 HG SER 15 -0.327 -5.559 -10.660 109 H CYS 16 H CYS 16 -1.419 -2.816 -7.778 110 HA CYS 16 HA CYS 16 -4.022 -1.625 -7.227 111 1HB CYS 16 1HB CYS 16 -3.086 -0.809 -5.209 112 2HB CYS 16 2HB CYS 16 -2.868 -2.551 -5.380 113 H VAL 17 H VAL 17 -4.087 -0.529 -9.252 114 HA VAL 17 HA VAL 17 -2.667 2.113 -9.320 115 HB VAL 17 HB VAL 17 -2.959 2.037 -11.727 116 1HG1 VAL 17 1HG1 VAL 17 -0.886 1.316 -10.720 117 2HG1 VAL 17 2HG1 VAL 17 -1.482 -0.350 -10.606 118 3HG1 VAL 17 3HG1 VAL 17 -1.235 0.403 -12.198 119 1HG2 VAL 17 1HG2 VAL 17 -4.913 0.109 -11.416 120 2HG2 VAL 17 2HG2 VAL 17 -4.006 0.367 -12.914 121 3HG2 VAL 17 3HG2 VAL 17 -3.510 -0.905 -11.791 122 H GLU 18 H GLU 18 -4.824 2.733 -11.591 123 HA GLU 18 HA GLU 18 -6.217 4.474 -9.886 124 1HB GLU 18 1HB GLU 18 -7.248 5.303 -11.843 125 2HB GLU 18 2HB GLU 18 -5.531 5.031 -12.135 126 1HG GLU 18 1HG GLU 18 -7.593 2.939 -12.896 127 2HG GLU 18 2HG GLU 18 -7.317 4.348 -13.923 128 H VAL 19 H VAL 19 -6.880 1.558 -9.400 129 HA VAL 19 HA VAL 19 -9.792 1.442 -9.754 130 HB VAL 19 HB VAL 19 -8.452 -0.615 -9.775 131 1HG1 VAL 19 1HG1 VAL 19 -7.684 0.110 -6.912 132 2HG1 VAL 19 2HG1 VAL 19 -7.556 -1.513 -7.593 133 3HG1 VAL 19 3HG1 VAL 19 -6.611 -0.200 -8.294 134 1HG2 VAL 19 1HG2 VAL 19 -10.810 -0.646 -9.045 135 2HG2 VAL 19 2HG2 VAL 19 -9.844 -1.932 -8.305 136 3HG2 VAL 19 3HG2 VAL 19 -10.285 -0.502 -7.353 137 H CYS 20 H CYS 20 -7.342 2.651 -7.505 138 HA CYS 20 HA CYS 20 -8.917 2.726 -5.211 139 1HB CYS 20 1HB CYS 20 -6.486 2.984 -5.212 140 2HB CYS 20 2HB CYS 20 -6.708 4.495 -6.096 141 HA PRO 21 HA PRO 21 -12.069 5.464 -6.455 142 1HB PRO 21 1HB PRO 21 -12.506 6.607 -3.791 143 2HB PRO 21 2HB PRO 21 -13.501 5.453 -4.705 144 1HG PRO 21 1HG PRO 21 -11.670 4.944 -2.496 145 2HG PRO 21 2HG PRO 21 -12.732 3.779 -3.323 146 1HD PRO 21 1HD PRO 21 -9.893 3.961 -3.532 147 2HD PRO 21 2HD PRO 21 -10.989 2.952 -4.526 148 H VAL 22 H VAL 22 -9.481 6.958 -4.496 149 HA VAL 22 HA VAL 22 -10.011 9.561 -5.848 150 HB VAL 22 HB VAL 22 -11.211 9.387 -3.673 151 1HG1 VAL 22 1HG1 VAL 22 -8.419 9.184 -2.469 152 2HG1 VAL 22 2HG1 VAL 22 -9.877 9.614 -1.566 153 3HG1 VAL 22 3HG1 VAL 22 -9.754 8.023 -2.331 154 1HG2 VAL 22 1HG2 VAL 22 -10.491 11.565 -4.655 155 2HG2 VAL 22 2HG2 VAL 22 -10.737 11.557 -2.901 156 3HG2 VAL 22 3HG2 VAL 22 -9.096 11.552 -3.553 157 H ASP 23 H ASP 23 -7.932 7.388 -6.144 158 HA ASP 23 HA ASP 23 -5.707 7.229 -6.476 159 1HB ASP 23 1HB ASP 23 -6.176 9.564 -7.514 160 2HB ASP 23 2HB ASP 23 -5.379 10.227 -6.083 161 H CYS 24 H CYS 24 -3.521 8.173 -5.310 162 HA CYS 24 HA CYS 24 -2.520 8.756 -3.201 163 1HB CYS 24 1HB CYS 24 -3.052 7.809 -1.130 164 2HB CYS 24 2HB CYS 24 -4.570 8.443 -1.757 165 HG CYS 24 HG CYS 24 -5.258 6.081 -2.802 166 H ILE 25 H ILE 25 -2.972 6.185 -5.243 167 HA ILE 25 HA ILE 25 -0.887 4.464 -4.044 168 HB ILE 25 HB ILE 25 -1.340 2.846 -5.670 169 1HG1 ILE 25 1HG1 ILE 25 -1.905 3.872 -7.693 170 2HG1 ILE 25 2HG1 ILE 25 -3.235 2.854 -7.176 171 1HG2 ILE 25 1HG2 ILE 25 -3.561 3.747 -3.915 172 2HG2 ILE 25 2HG2 ILE 25 -3.969 2.529 -5.131 173 3HG2 ILE 25 3HG2 ILE 25 -2.677 2.204 -4.021 174 1HD1 ILE 25 1HD1 ILE 25 -4.404 4.953 -6.320 175 2HD1 ILE 25 2HD1 ILE 25 -3.145 5.876 -7.184 176 3HD1 ILE 25 3HD1 ILE 25 -4.217 4.807 -8.080 177 H HIS 26 H HIS 26 1.170 5.171 -4.435 178 HA HIS 26 HA HIS 26 1.825 6.570 -6.998 179 1HB HIS 26 1HB HIS 26 2.729 6.947 -4.107 180 2HB HIS 26 2HB HIS 26 3.384 7.785 -5.509 181 HD1 HIS 26 HD1 HIS 26 0.959 8.893 -7.029 182 HD2 HIS 26 HD2 HIS 26 0.881 8.291 -2.883 183 HE1 HIS 26 HE1 HIS 26 -0.948 10.323 -6.130 184 H GLU 27 H GLU 27 3.890 5.964 -7.914 185 HA GLU 27 HA GLU 27 5.064 3.533 -6.794 186 1HB GLU 27 1HB GLU 27 5.999 5.271 -9.031 187 2HB GLU 27 2HB GLU 27 6.854 3.829 -8.475 188 1HG GLU 27 1HG GLU 27 4.937 2.399 -8.832 189 2HG GLU 27 2HG GLU 27 3.972 3.782 -9.354 190 H GLY 28 H GLY 28 6.218 3.566 -5.076 191 1HA GLY 28 1HA GLY 28 7.750 5.933 -4.110 192 2HA GLY 28 2HA GLY 28 7.596 4.363 -3.299 193 H GLU 29 H GLU 29 8.753 5.760 -6.307 194 HA GLU 29 HA GLU 29 10.342 5.428 -7.797 195 1HB GLU 29 1HB GLU 29 11.779 4.267 -5.401 196 2HB GLU 29 2HB GLU 29 12.518 4.411 -7.006 197 1HG GLU 29 1HG GLU 29 13.194 6.304 -5.693 198 2HG GLU 29 2HG GLU 29 12.081 6.886 -6.934 199 H ASP 30 H ASP 30 10.149 2.477 -5.833 200 HA ASP 30 HA ASP 30 10.673 0.848 -8.226 201 1HB ASP 30 1HB ASP 30 11.877 0.336 -6.161 202 2HB ASP 30 2HB ASP 30 10.355 -0.064 -5.348 203 H GLN 31 H GLN 31 8.018 1.030 -5.745 204 HA GLN 31 HA GLN 31 6.170 -0.327 -7.631 205 1HB GLN 31 1HB GLN 31 5.567 -1.746 -5.410 206 2HB GLN 31 2HB GLN 31 6.826 -2.264 -6.544 207 1HG GLN 31 1HG GLN 31 7.272 -2.447 -4.178 208 2HG GLN 31 2HG GLN 31 8.518 -1.508 -4.990 209 1HE2 GLN 31 2HE2 GLN 31 5.597 -1.272 -2.984 210 2HE2 GLN 31 1HE2 GLN 31 6.005 0.252 -2.227 211 H TYR 32 H TYR 32 3.923 -0.367 -6.692 212 HA TYR 32 HA TYR 32 3.286 2.317 -6.015 213 1HB TYR 32 1HB TYR 32 1.577 -0.136 -6.244 214 2HB TYR 32 2HB TYR 32 0.938 1.417 -5.734 215 HD1 TYR 32 HD1 TYR 32 2.658 -0.334 -8.541 216 HD2 TYR 32 HD2 TYR 32 0.586 3.215 -7.277 217 HE1 TYR 32 HE1 TYR 32 2.914 0.633 -10.816 218 HE2 TYR 32 HE2 TYR 32 0.723 4.123 -9.574 219 HH TYR 32 HH TYR 32 2.995 3.008 -11.750 220 H TYR 33 H TYR 33 2.807 3.262 -4.239 221 HA TYR 33 HA TYR 33 3.131 2.054 -1.566 222 1HB TYR 33 1HB TYR 33 4.596 4.119 -3.018 223 2HB TYR 33 2HB TYR 33 3.720 4.889 -1.733 224 HD1 TYR 33 HD1 TYR 33 6.224 2.347 -2.692 225 HD2 TYR 33 HD2 TYR 33 4.451 4.480 0.581 226 HE1 TYR 33 HE1 TYR 33 7.927 1.399 -1.172 227 HE2 TYR 33 HE2 TYR 33 6.185 3.552 2.121 228 HH TYR 33 HH TYR 33 8.722 1.319 0.982 229 H ILE 34 H ILE 34 1.304 2.691 -0.203 230 HA ILE 34 HA ILE 34 -0.802 4.238 -1.549 231 HB ILE 34 HB ILE 34 -0.809 2.156 0.649 232 1HG1 ILE 34 1HG1 ILE 34 -2.454 2.272 -1.911 233 2HG1 ILE 34 2HG1 ILE 34 -0.868 1.501 -1.866 234 1HG2 ILE 34 1HG2 ILE 34 -3.048 4.043 -0.170 235 2HG2 ILE 34 2HG2 ILE 34 -3.310 2.564 0.771 236 3HG2 ILE 34 3HG2 ILE 34 -2.342 3.859 1.445 237 1HD1 ILE 34 1HD1 ILE 34 -1.772 0.054 0.046 238 2HD1 ILE 34 2HD1 ILE 34 -3.385 0.657 -0.403 239 3HD1 ILE 34 3HD1 ILE 34 -2.414 -0.230 -1.586 240 H ASP 35 H ASP 35 -1.144 6.379 -0.708 241 HA ASP 35 HA ASP 35 0.241 7.098 1.766 242 1HB ASP 35 1HB ASP 35 -0.405 8.849 -0.003 243 2HB ASP 35 2HB ASP 35 -2.040 8.706 0.658 244 HA PRO 36 HA PRO 36 -3.230 5.069 3.957 245 1HB PRO 36 1HB PRO 36 -2.402 5.489 6.541 246 2HB PRO 36 2HB PRO 36 -1.742 4.212 5.492 247 1HG PRO 36 1HG PRO 36 -0.591 6.974 6.013 248 2HG PRO 36 2HG PRO 36 0.272 5.403 6.081 249 1HD PRO 36 1HD PRO 36 0.392 6.969 3.904 250 2HD PRO 36 2HD PRO 36 0.180 5.193 3.739 251 H ASP 37 H ASP 37 -1.953 8.364 4.381 252 HA ASP 37 HA ASP 37 -4.162 9.171 6.134 253 1HB ASP 37 1HB ASP 37 -1.959 10.820 4.896 254 2HB ASP 37 2HB ASP 37 -3.027 11.280 6.230 255 H VAL 38 H VAL 38 -3.424 9.142 2.669 256 HA VAL 38 HA VAL 38 -5.794 10.865 2.143 257 HB VAL 38 HB VAL 38 -3.864 9.600 0.192 258 1HG1 VAL 38 1HG1 VAL 38 -6.074 11.666 -0.186 259 2HG1 VAL 38 2HG1 VAL 38 -4.881 11.196 -1.415 260 3HG1 VAL 38 3HG1 VAL 38 -6.067 10.018 -0.842 261 1HG2 VAL 38 1HG2 VAL 38 -2.809 11.372 1.636 262 2HG2 VAL 38 2HG2 VAL 38 -2.958 11.861 -0.054 263 3HG2 VAL 38 3HG2 VAL 38 -4.102 12.485 1.153 264 H CYS 39 H CYS 39 -4.788 7.402 1.976 265 HA CYS 39 HA CYS 39 -7.032 6.398 0.618 266 1HB CYS 39 1HB CYS 39 -5.159 4.978 1.131 267 2HB CYS 39 2HB CYS 39 -5.366 5.288 2.852 268 H ILE 40 H ILE 40 -9.136 6.168 1.124 269 HA ILE 40 HA ILE 40 -10.098 7.099 3.783 270 HB ILE 40 HB ILE 40 -12.252 7.361 2.623 271 1HG1 ILE 40 1HG1 ILE 40 -10.756 6.807 0.012 272 2HG1 ILE 40 2HG1 ILE 40 -11.740 5.589 0.833 273 1HG2 ILE 40 1HG2 ILE 40 -10.596 9.210 2.820 274 2HG2 ILE 40 2HG2 ILE 40 -9.959 8.792 1.218 275 3HG2 ILE 40 3HG2 ILE 40 -11.626 9.366 1.394 276 1HD1 ILE 40 1HD1 ILE 40 -13.700 7.167 0.721 277 2HD1 ILE 40 2HD1 ILE 40 -12.710 8.230 -0.310 278 3HD1 ILE 40 3HD1 ILE 40 -13.104 6.588 -0.847 279 H ASP 41 H ASP 41 -8.926 4.505 3.626 280 HA ASP 41 HA ASP 41 -9.266 2.320 4.158 281 1HB ASP 41 1HB ASP 41 -10.899 4.017 5.996 282 2HB ASP 41 2HB ASP 41 -11.253 2.302 6.087 283 H CYS 42 H CYS 42 -10.613 2.915 1.756 284 HA CYS 42 HA CYS 42 -13.244 1.803 1.814 285 1HB CYS 42 1HB CYS 42 -13.359 2.296 -0.352 286 2HB CYS 42 2HB CYS 42 -12.119 3.446 0.127 287 H GLY 43 H GLY 43 -10.145 0.279 1.581 288 1HA GLY 43 1HA GLY 43 -9.558 -1.961 1.395 289 2HA GLY 43 2HA GLY 43 -11.258 -2.361 1.098 290 H ALA 44 H ALA 44 -10.842 -3.634 -0.684 291 HA ALA 44 HA ALA 44 -11.026 -4.055 -2.904 292 1HB ALA 44 1HB ALA 44 -12.143 -1.865 -3.165 293 2HB ALA 44 2HB ALA 44 -10.579 -1.102 -3.515 294 3HB ALA 44 3HB ALA 44 -11.211 -2.349 -4.593 295 H CYS 45 H CYS 45 -8.456 -1.565 -2.698 296 HA CYS 45 HA CYS 45 -6.638 -2.613 -4.582 297 1HB CYS 45 1HB CYS 45 -4.967 -1.236 -3.441 298 2HB CYS 45 2HB CYS 45 -6.493 -0.446 -3.699 299 H GLU 46 H GLU 46 -7.045 -3.340 -1.161 300 HA GLU 46 HA GLU 46 -5.171 -5.177 -0.508 301 1HB GLU 46 1HB GLU 46 -6.793 -6.050 1.102 302 2HB GLU 46 2HB GLU 46 -7.010 -4.306 0.935 303 1HG GLU 46 1HG GLU 46 -8.831 -4.913 -0.841 304 2HG GLU 46 2HG GLU 46 -8.749 -6.547 -0.165 305 H ALA 47 H ALA 47 -8.011 -5.893 -2.503 306 HA ALA 47 HA ALA 47 -7.331 -8.777 -2.653 307 1HB ALA 47 1HB ALA 47 -9.723 -7.187 -3.667 308 2HB ALA 47 2HB ALA 47 -9.530 -8.952 -3.740 309 3HB ALA 47 3HB ALA 47 -9.651 -8.139 -2.167 310 H VAL 48 H VAL 48 -7.239 -5.784 -4.554 311 HA VAL 48 HA VAL 48 -6.898 -7.012 -7.126 312 HB VAL 48 HB VAL 48 -6.153 -4.320 -5.978 313 1HG1 VAL 48 1HG1 VAL 48 -6.004 -5.245 -8.862 314 2HG1 VAL 48 2HG1 VAL 48 -5.895 -3.557 -8.307 315 3HG1 VAL 48 3HG1 VAL 48 -4.652 -4.722 -7.829 316 1HG2 VAL 48 1HG2 VAL 48 -8.672 -5.324 -6.579 317 2HG2 VAL 48 2HG2 VAL 48 -8.231 -3.612 -6.615 318 3HG2 VAL 48 3HG2 VAL 48 -8.218 -4.570 -8.109 319 H CYS 49 H CYS 49 -4.622 -6.120 -4.469 320 HA CYS 49 HA CYS 49 -2.257 -6.937 -5.860 321 1HB CYS 49 1HB CYS 49 -2.507 -5.713 -3.570 322 2HB CYS 49 2HB CYS 49 -2.689 -7.354 -2.921 323 HA PRO 50 HA PRO 50 -3.827 -11.213 -5.981 324 1HB PRO 50 1HB PRO 50 -2.087 -12.348 -7.749 325 2HB PRO 50 2HB PRO 50 -3.275 -11.110 -8.234 326 1HG PRO 50 1HG PRO 50 -0.348 -10.698 -7.557 327 2HG PRO 50 2HG PRO 50 -1.240 -10.103 -8.988 328 1HD PRO 50 1HD PRO 50 -0.802 -8.570 -6.744 329 2HD PRO 50 2HD PRO 50 -2.255 -8.398 -7.764 330 H VAL 51 H VAL 51 -2.079 -10.324 -3.868 331 HA VAL 51 HA VAL 51 -0.809 -12.761 -2.889 332 HB VAL 51 HB VAL 51 1.302 -12.079 -3.174 333 1HG1 VAL 51 1HG1 VAL 51 0.219 -9.539 -4.473 334 2HG1 VAL 51 2HG1 VAL 51 1.907 -10.075 -4.520 335 3HG1 VAL 51 3HG1 VAL 51 0.672 -11.051 -5.310 336 1HG2 VAL 51 1HG2 VAL 51 1.152 -10.778 -1.059 337 2HG2 VAL 51 2HG2 VAL 51 2.239 -10.033 -2.227 338 3HG2 VAL 51 3HG2 VAL 51 0.608 -9.366 -2.022 339 H SER 52 H SER 52 -2.373 -9.583 -2.483 340 HA SER 52 HA SER 52 -3.017 -8.385 -0.752 341 1HB SER 52 1HB SER 52 -3.432 -11.110 0.521 342 2HB SER 52 2HB SER 52 -4.204 -9.585 1.000 343 HG SER 52 HG SER 52 -4.965 -9.456 -1.240 344 H ALA 53 H ALA 53 -0.545 -8.018 -0.905 345 HA ALA 53 HA ALA 53 0.900 -8.435 1.642 346 1HB ALA 53 1HB ALA 53 1.515 -6.756 -0.833 347 2HB ALA 53 2HB ALA 53 2.596 -6.980 0.558 348 3HB ALA 53 3HB ALA 53 2.178 -8.362 -0.461 349 H ILE 54 H ILE 54 -1.512 -6.373 0.370 350 HA ILE 54 HA ILE 54 -0.839 -4.010 1.931 351 HB ILE 54 HB ILE 54 -3.382 -4.728 0.465 352 1HG1 ILE 54 1HG1 ILE 54 -0.968 -3.213 -0.554 353 2HG1 ILE 54 2HG1 ILE 54 -1.454 -4.806 -1.118 354 1HG2 ILE 54 1HG2 ILE 54 -3.414 -2.870 2.194 355 2HG2 ILE 54 2HG2 ILE 54 -2.228 -2.006 1.216 356 3HG2 ILE 54 3HG2 ILE 54 -3.860 -2.333 0.583 357 1HD1 ILE 54 1HD1 ILE 54 -3.254 -2.386 -1.488 358 2HD1 ILE 54 2HD1 ILE 54 -2.079 -2.959 -2.670 359 3HD1 ILE 54 3HD1 ILE 54 -3.406 -4.015 -2.163 360 H TYR 55 H TYR 55 -1.422 -3.842 4.095 361 HA TYR 55 HA TYR 55 -3.719 -5.454 5.104 362 1HB TYR 55 1HB TYR 55 -1.017 -4.906 6.374 363 2HB TYR 55 2HB TYR 55 -2.373 -5.608 7.211 364 HD1 TYR 55 HD1 TYR 55 -3.423 -7.767 5.847 365 HD2 TYR 55 HD2 TYR 55 0.642 -6.351 5.553 366 HE1 TYR 55 HE1 TYR 55 -2.752 -9.892 4.772 367 HE2 TYR 55 HE2 TYR 55 1.314 -8.501 4.540 368 HH TYR 55 HH TYR 55 -0.829 -10.451 3.064 369 H HIS 56 H HIS 56 -4.506 -4.421 7.185 370 HA HIS 56 HA HIS 56 -4.731 -1.555 6.839 371 1HB HIS 56 1HB HIS 56 -6.268 -3.402 8.154 372 2HB HIS 56 2HB HIS 56 -5.311 -2.832 9.504 373 HD1 HIS 56 HD1 HIS 56 -8.295 -1.957 7.439 374 HD2 HIS 56 HD2 HIS 56 -5.519 -0.080 9.960 375 HE1 HIS 56 HE1 HIS 56 -9.352 0.239 8.167 376 H GLU 57 H GLU 57 -3.657 0.108 8.065 377 HA GLU 57 HA GLU 57 -1.062 -0.489 8.650 378 1HB GLU 57 1HB GLU 57 -0.941 1.795 9.502 379 2HB GLU 57 2HB GLU 57 -2.010 1.741 8.080 380 1HG GLU 57 1HG GLU 57 -3.849 1.457 9.823 381 2HG GLU 57 2HG GLU 57 -2.634 2.032 10.984 382 H ASP 58 H ASP 58 -3.715 -0.449 10.797 383 HA ASP 58 HA ASP 58 -2.393 -0.946 13.256 384 1HB ASP 58 1HB ASP 58 -4.797 -0.501 13.119 385 2HB ASP 58 2HB ASP 58 -5.041 -2.034 12.257 386 H PHE 59 H PHE 59 -3.078 -3.120 10.584 387 HA PHE 59 HA PHE 59 -2.709 -5.573 12.149 388 1HB PHE 59 1HB PHE 59 -3.253 -5.013 9.209 389 2HB PHE 59 2HB PHE 59 -3.125 -6.591 9.935 390 HD1 PHE 59 HD1 PHE 59 -4.877 -4.727 12.374 391 HD2 PHE 59 HD2 PHE 59 -5.362 -6.554 8.486 392 HE1 PHE 59 HE1 PHE 59 -7.297 -4.623 12.636 393 HE2 PHE 59 HE2 PHE 59 -7.820 -6.486 8.780 394 HZ PHE 59 HZ PHE 59 -8.802 -5.500 10.843 395 H VAL 60 H VAL 60 -0.938 -3.634 9.743 396 HA VAL 60 HA VAL 60 0.997 -5.459 8.936 397 HB VAL 60 HB VAL 60 1.167 -2.514 9.502 398 1HG1 VAL 60 1HG1 VAL 60 3.323 -4.347 8.433 399 2HG1 VAL 60 2HG1 VAL 60 3.292 -2.605 8.070 400 3HG1 VAL 60 3HG1 VAL 60 3.437 -3.159 9.740 401 1HG2 VAL 60 1HG2 VAL 60 1.005 -4.116 6.939 402 2HG2 VAL 60 2HG2 VAL 60 -0.284 -3.130 7.652 403 3HG2 VAL 60 3HG2 VAL 60 1.172 -2.349 7.034 404 HA PRO 61 HA PRO 61 2.801 -6.592 12.934 405 1HB PRO 61 1HB PRO 61 5.142 -7.370 11.187 406 2HB PRO 61 2HB PRO 61 4.391 -8.292 12.516 407 1HG PRO 61 1HG PRO 61 3.844 -8.914 9.921 408 2HG PRO 61 2HG PRO 61 2.531 -8.891 11.137 409 1HD PRO 61 1HD PRO 61 3.216 -6.772 9.097 410 2HD PRO 61 2HD PRO 61 1.623 -7.411 9.613 411 H GLU 62 H GLU 62 4.270 -5.592 14.418 412 HA GLU 62 HA GLU 62 5.139 -3.074 14.265 413 1HB GLU 62 1HB GLU 62 5.842 -5.649 15.727 414 2HB GLU 62 2HB GLU 62 6.703 -4.183 16.053 415 1HG GLU 62 1HG GLU 62 4.808 -4.540 17.628 416 2HG GLU 62 2HG GLU 62 4.702 -3.007 16.754 417 H GLU 63 H GLU 63 7.117 -5.987 13.449 418 HA GLU 63 HA GLU 63 9.585 -4.818 12.909 419 1HB GLU 63 1HB GLU 63 8.199 -6.967 11.265 420 2HB GLU 63 2HB GLU 63 9.930 -6.640 11.354 421 1HG GLU 63 1HG GLU 63 9.857 -8.358 12.833 422 2HG GLU 63 2HG GLU 63 9.503 -7.073 13.989 423 H TRP 64 H TRP 64 6.675 -4.934 10.898 424 HA TRP 64 HA TRP 64 7.948 -3.388 8.707 425 1HB TRP 64 1HB TRP 64 5.504 -5.155 8.886 426 2HB TRP 64 2HB TRP 64 5.884 -4.181 7.470 427 HD1 TRP 64 HD1 TRP 64 9.179 -5.141 8.011 428 HE1 TRP 64 HE1 TRP 64 9.822 -7.259 6.681 429 HE3 TRP 64 HE3 TRP 64 4.499 -7.065 7.079 430 HZ2 TRP 64 HZ2 TRP 64 8.567 -9.506 5.571 431 HZ3 TRP 64 HZ3 TRP 64 4.280 -9.136 5.743 432 HH2 TRP 64 HH2 TRP 64 6.339 -10.279 4.867 433 H LYS 65 H LYS 65 6.182 -2.617 11.539 434 HA LYS 65 HA LYS 65 4.466 -0.668 10.405 435 1HB LYS 65 1HB LYS 65 5.612 -1.256 13.140 436 2HB LYS 65 2HB LYS 65 4.814 0.214 12.822 437 1HG LYS 65 1HG LYS 65 2.833 -1.141 11.869 438 2HG LYS 65 2HG LYS 65 3.609 -2.553 12.568 439 1HD LYS 65 1HD LYS 65 3.322 -1.621 14.829 440 2HD LYS 65 2HD LYS 65 2.907 -0.047 14.154 441 1HE LYS 65 1HE LYS 65 0.867 -0.999 14.920 442 2HE LYS 65 2HE LYS 65 0.819 -1.006 13.154 443 1HZ LYS 65 1HZ LYS 65 1.432 -3.372 13.283 444 2HZ LYS 65 2HZ LYS 65 1.373 -3.297 14.926 445 3HZ LYS 65 3HZ LYS 65 -0.002 -3.065 14.011 446 H SER 66 H SER 66 7.869 -0.885 10.571 447 HA SER 66 HA SER 66 8.634 1.833 10.376 448 1HB SER 66 1HB SER 66 10.446 0.611 8.882 449 2HB SER 66 2HB SER 66 10.341 0.179 10.601 450 HG SER 66 HG SER 66 9.842 -1.814 9.956 451 H TYR 67 H TYR 67 7.278 -0.499 7.966 452 HA TYR 67 HA TYR 67 7.591 1.341 5.755 453 1HB TYR 67 1HB TYR 67 5.699 -1.006 6.088 454 2HB TYR 67 2HB TYR 67 5.802 0.043 4.675 455 HD1 TYR 67 HD1 TYR 67 7.683 -0.021 3.144 456 HD2 TYR 67 HD2 TYR 67 7.545 -2.632 6.560 457 HE1 TYR 67 HE1 TYR 67 9.476 -1.425 2.149 458 HE2 TYR 67 HE2 TYR 67 9.362 -4.013 5.581 459 HH TYR 67 HH TYR 67 10.735 -4.379 3.721 460 H ILE 68 H ILE 68 4.940 0.921 8.279 461 HA ILE 68 HA ILE 68 3.088 2.552 6.824 462 HB ILE 68 HB ILE 68 3.519 1.765 9.715 463 1HG1 ILE 68 1HG1 ILE 68 1.069 1.197 8.057 464 2HG1 ILE 68 2HG1 ILE 68 2.529 0.272 7.687 465 1HG2 ILE 68 1HG2 ILE 68 1.376 3.532 8.552 466 2HG2 ILE 68 2HG2 ILE 68 1.278 2.726 10.141 467 3HG2 ILE 68 3HG2 ILE 68 2.544 3.935 9.851 468 1HD1 ILE 68 1HD1 ILE 68 1.788 0.481 10.563 469 2HD1 ILE 68 2HD1 ILE 68 0.882 -0.525 9.417 470 3HD1 ILE 68 3HD1 ILE 68 2.618 -0.780 9.580 471 H GLN 69 H GLN 69 5.673 3.228 9.219 472 HA GLN 69 HA GLN 69 5.266 6.025 9.245 473 1HB GLN 69 1HB GLN 69 6.768 4.878 10.787 474 2HB GLN 69 2HB GLN 69 7.929 4.554 9.492 475 1HG GLN 69 1HG GLN 69 8.515 6.804 9.227 476 2HG GLN 69 2HG GLN 69 7.005 7.403 9.919 477 1HE2 GLN 69 2HE2 GLN 69 6.622 7.112 12.256 478 2HE2 GLN 69 1HE2 GLN 69 8.022 7.156 13.315 479 H LYS 70 H LYS 70 7.260 4.033 6.989 480 HA LYS 70 HA LYS 70 8.173 6.276 5.534 481 1HB LYS 70 1HB LYS 70 9.085 3.858 5.401 482 2HB LYS 70 2HB LYS 70 7.678 3.486 4.424 483 1HG LYS 70 1HG LYS 70 9.490 3.868 2.891 484 2HG LYS 70 2HG LYS 70 8.344 5.169 2.765 485 1HD LYS 70 1HD LYS 70 10.099 6.303 4.592 486 2HD LYS 70 2HD LYS 70 11.159 5.149 3.803 487 1HE LYS 70 1HE LYS 70 11.360 7.220 2.608 488 2HE LYS 70 2HE LYS 70 10.435 6.134 1.565 489 1HZ LYS 70 1HZ LYS 70 8.409 7.302 2.534 490 2HZ LYS 70 2HZ LYS 70 9.438 8.366 3.222 491 3HZ LYS 70 3HZ LYS 70 9.376 8.235 1.589 492 H ASN 71 H ASN 71 5.399 4.219 4.979 493 HA ASN 71 HA ASN 71 4.362 5.434 2.624 494 1HB ASN 71 1HB ASN 71 3.102 3.865 4.831 495 2HB ASN 71 2HB ASN 71 2.141 4.586 3.552 496 1HD2 ASN 71 2HD2 ASN 71 4.738 2.203 4.097 497 2HD2 ASN 71 1HD2 ASN 71 4.368 1.279 2.649 498 H ARG 72 H ARG 72 3.844 6.291 6.094 499 HA ARG 72 HA ARG 72 1.937 8.339 5.779 500 1HB ARG 72 1HB ARG 72 2.800 7.052 7.796 501 2HB ARG 72 2HB ARG 72 4.170 8.128 7.829 502 1HG ARG 72 1HG ARG 72 3.053 9.623 8.997 503 2HG ARG 72 2HG ARG 72 1.798 9.760 7.760 504 1HD ARG 72 1HD ARG 72 1.924 7.511 9.821 505 2HD ARG 72 2HD ARG 72 0.987 9.000 10.029 506 HE ARG 72 HE ARG 72 0.000 8.343 7.706 507 1HH1 ARG 72 1HH1 ARG 72 0.756 5.707 10.008 508 2HH1 ARG 72 2HH1 ARG 72 -0.901 5.077 9.887 509 1HH2 ARG 72 1HH2 ARG 72 -2.260 7.702 8.185 510 2HH2 ARG 72 2HH2 ARG 72 -2.473 6.035 8.858 511 H ASP 73 H ASP 73 5.434 8.325 6.191 512 HA ASP 73 HA ASP 73 6.071 11.021 6.114 513 1HB ASP 73 1HB ASP 73 7.524 9.259 6.972 514 2HB ASP 73 2HB ASP 73 7.465 8.397 5.456 515 H PHE 74 H PHE 74 6.252 8.698 3.473 516 HA PHE 74 HA PHE 74 7.520 9.841 1.455 517 1HB PHE 74 1HB PHE 74 5.288 8.030 1.598 518 2HB PHE 74 2HB PHE 74 5.190 9.065 0.189 519 HD1 PHE 74 HD1 PHE 74 7.080 9.315 -1.423 520 HD2 PHE 74 HD2 PHE 74 6.642 6.059 1.345 521 HE1 PHE 74 HE1 PHE 74 8.592 7.918 -2.801 522 HE2 PHE 74 HE2 PHE 74 8.412 4.789 0.120 523 HZ PHE 74 HZ PHE 74 9.475 5.770 -1.880 524 H PHE 75 H PHE 75 4.169 10.742 2.169 525 HA PHE 75 HA PHE 75 4.342 12.953 0.165 526 1HB PHE 75 1HB PHE 75 1.840 11.792 1.242 527 2HB PHE 75 2HB PHE 75 2.104 12.590 -0.288 528 HD1 PHE 75 HD1 PHE 75 3.562 11.343 -2.060 529 HD2 PHE 75 HD2 PHE 75 2.036 9.393 1.473 530 HE1 PHE 75 HE1 PHE 75 3.967 9.122 -3.093 531 HE2 PHE 75 HE2 PHE 75 2.330 7.194 0.394 532 HZ PHE 75 HZ PHE 75 3.311 7.054 -1.887 533 H LYS 76 H LYS 76 4.628 12.652 3.521 534 HA LYS 76 HA LYS 76 2.569 14.667 4.161 535 1HB LYS 76 1HB LYS 76 4.091 12.696 5.664 536 2HB LYS 76 2HB LYS 76 4.343 14.293 6.344 537 1HG LYS 76 1HG LYS 76 2.527 13.657 7.519 538 2HG LYS 76 2HG LYS 76 1.723 14.554 6.239 539 1HD LYS 76 1HD LYS 76 2.138 11.543 6.403 540 2HD LYS 76 2HD LYS 76 0.654 12.344 6.878 541 1HE LYS 76 1HE LYS 76 -0.040 12.763 4.693 542 2HE LYS 76 2HE LYS 76 1.589 12.687 4.019 543 1HZ LYS 76 1HZ LYS 76 0.186 10.323 5.044 544 2HZ LYS 76 2HZ LYS 76 0.304 10.753 3.468 545 3HZ LYS 76 3HZ LYS 76 1.672 10.396 4.325 546 H LYS 77 H LYS 77 6.118 14.661 3.540 547 HA LYS 77 HA LYS 77 6.077 17.370 2.943 548 1HB LYS 77 1HB LYS 77 7.555 18.170 4.529 549 2HB LYS 77 2HB LYS 77 6.224 17.522 5.484 550 1HG LYS 77 1HG LYS 77 8.937 16.167 5.029 551 2HG LYS 77 2HG LYS 77 8.536 17.168 6.404 552 1HD LYS 77 1HD LYS 77 7.501 15.552 7.509 553 2HD LYS 77 2HD LYS 77 6.499 15.089 6.150 554 1HE LYS 77 1HE LYS 77 9.407 14.230 6.520 555 2HE LYS 77 2HE LYS 77 8.013 13.266 7.009 556 1HZ LYS 77 1HZ LYS 77 8.544 14.039 4.184 557 2HZ LYS 77 2HZ LYS 77 8.873 12.580 4.957 558 3HZ LYS 77 3HZ LYS 77 7.356 13.068 4.703 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -6.473 2.061 8.228 2 2H ALA 1 2H ALA 1 -6.365 3.511 8.663 3 3H ALA 1 3H ALA 1 -7.584 3.038 7.892 4 HA ALA 1 HA ALA 1 -6.555 3.359 5.785 5 1HB ALA 1 1HB ALA 1 -5.387 5.192 6.957 6 2HB ALA 1 2HB ALA 1 -4.047 4.084 7.340 7 3HB ALA 1 3HB ALA 1 -4.443 4.445 5.649 8 H TYR 2 H TYR 2 -5.492 2.093 4.258 9 HA TYR 2 HA TYR 2 -4.267 -0.425 5.265 10 1HB TYR 2 1HB TYR 2 -5.487 0.367 2.601 11 2HB TYR 2 2HB TYR 2 -4.620 -1.130 2.885 12 HD1 TYR 2 HD1 TYR 2 -7.653 0.788 3.811 13 HD2 TYR 2 HD2 TYR 2 -5.593 -2.986 4.102 14 HE1 TYR 2 HE1 TYR 2 -9.776 -0.324 4.418 15 HE2 TYR 2 HE2 TYR 2 -7.731 -4.101 4.685 16 HH TYR 2 HH TYR 2 -10.794 -2.400 4.227 17 H VAL 3 H VAL 3 -2.198 -0.960 4.757 18 HA VAL 3 HA VAL 3 -0.661 0.904 3.036 19 HB VAL 3 HB VAL 3 0.199 0.045 5.822 20 1HG1 VAL 3 1HG1 VAL 3 1.469 1.705 3.603 21 2HG1 VAL 3 2HG1 VAL 3 2.007 1.820 5.281 22 3HG1 VAL 3 3HG1 VAL 3 2.152 0.285 4.423 23 1HG2 VAL 3 1HG2 VAL 3 -0.705 2.755 4.737 24 2HG2 VAL 3 2HG2 VAL 3 -1.543 1.786 5.971 25 3HG2 VAL 3 3HG2 VAL 3 0.031 2.493 6.329 26 H ILE 4 H ILE 4 0.914 0.123 1.958 27 HA ILE 4 HA ILE 4 1.063 -2.659 1.177 28 HB ILE 4 HB ILE 4 0.995 -0.631 -0.235 29 1HG1 ILE 4 1HG1 ILE 4 3.531 -2.216 -0.769 30 2HG1 ILE 4 2HG1 ILE 4 1.885 -2.824 -1.051 31 1HG2 ILE 4 1HG2 ILE 4 2.753 0.624 1.355 32 2HG2 ILE 4 2HG2 ILE 4 3.904 -0.090 0.233 33 3HG2 ILE 4 3HG2 ILE 4 2.624 0.981 -0.365 34 1HD1 ILE 4 1HD1 ILE 4 1.409 -0.825 -2.480 35 2HD1 ILE 4 2HD1 ILE 4 3.115 -0.331 -2.284 36 3HD1 ILE 4 3HD1 ILE 4 2.703 -1.818 -3.126 37 H THR 5 H THR 5 3.057 -3.947 1.151 38 HA THR 5 HA THR 5 5.243 -3.055 2.888 39 HB THR 5 HB THR 5 5.131 -5.105 4.267 40 HG1 THR 5 HG1 THR 5 2.544 -5.503 3.143 41 1HG2 THR 5 1HG2 THR 5 4.116 -3.003 5.126 42 2HG2 THR 5 2HG2 THR 5 2.532 -3.550 4.520 43 3HG2 THR 5 3HG2 THR 5 3.380 -4.497 5.750 44 H GLU 6 H GLU 6 6.961 -4.577 2.945 45 HA GLU 6 HA GLU 6 8.414 -5.208 0.969 46 1HB GLU 6 1HB GLU 6 9.145 -5.622 3.063 47 2HB GLU 6 2HB GLU 6 7.951 -6.854 3.407 48 1HG GLU 6 1HG GLU 6 9.025 -8.382 1.855 49 2HG GLU 6 2HG GLU 6 10.149 -7.134 1.339 50 HA PRO 7 HA PRO 7 6.873 -9.352 -0.580 51 1HB PRO 7 1HB PRO 7 3.932 -9.374 0.115 52 2HB PRO 7 2HB PRO 7 5.058 -10.757 0.006 53 1HG PRO 7 1HG PRO 7 4.369 -9.769 2.439 54 2HG PRO 7 2HG PRO 7 6.084 -10.159 2.094 55 1HD PRO 7 1HD PRO 7 4.723 -7.458 1.938 56 2HD PRO 7 2HD PRO 7 6.230 -7.890 2.774 57 H CYS 8 H CYS 8 4.999 -6.404 -0.873 58 HA CYS 8 HA CYS 8 3.852 -6.952 -3.459 59 1HB CYS 8 1HB CYS 8 3.006 -5.054 -2.353 60 2HB CYS 8 2HB CYS 8 4.610 -4.497 -1.906 61 H ILE 9 H ILE 9 7.129 -5.958 -2.385 62 HA ILE 9 HA ILE 9 7.841 -4.655 -4.801 63 HB ILE 9 HB ILE 9 9.503 -5.844 -2.553 64 1HG1 ILE 9 1HG1 ILE 9 10.127 -3.220 -2.647 65 2HG1 ILE 9 2HG1 ILE 9 8.563 -3.102 -3.435 66 1HG2 ILE 9 1HG2 ILE 9 10.540 -4.413 -5.036 67 2HG2 ILE 9 2HG2 ILE 9 11.478 -4.754 -3.564 68 3HG2 ILE 9 3HG2 ILE 9 10.906 -6.090 -4.555 69 1HD1 ILE 9 1HD1 ILE 9 9.205 -4.354 -0.766 70 2HD1 ILE 9 2HD1 ILE 9 8.483 -2.759 -0.959 71 3HD1 ILE 9 3HD1 ILE 9 7.540 -4.189 -1.411 72 H GLY 10 H GLY 10 8.151 -5.335 -6.787 73 1HA GLY 10 1HA GLY 10 9.316 -7.857 -7.529 74 2HA GLY 10 2HA GLY 10 7.548 -7.985 -7.452 75 H THR 11 H THR 11 10.135 -5.953 -8.700 76 HA THR 11 HA THR 11 10.656 -5.045 -10.572 77 HB THR 11 HB THR 11 10.447 -7.353 -11.358 78 HG1 THR 11 HG1 THR 11 10.274 -5.104 -13.004 79 1HG2 THR 11 1HG2 THR 11 7.851 -6.454 -12.685 80 2HG2 THR 11 2HG2 THR 11 8.801 -7.885 -13.115 81 3HG2 THR 11 3HG2 THR 11 8.057 -7.794 -11.529 82 H LYS 12 H LYS 12 7.054 -5.147 -10.540 83 HA LYS 12 HA LYS 12 7.004 -2.376 -10.776 84 1HB LYS 12 1HB LYS 12 7.558 -3.131 -13.256 85 2HB LYS 12 2HB LYS 12 5.875 -3.588 -13.337 86 1HG LYS 12 1HG LYS 12 6.472 -1.367 -14.283 87 2HG LYS 12 2HG LYS 12 5.183 -1.270 -13.085 88 1HD LYS 12 1HD LYS 12 8.043 -0.899 -12.154 89 2HD LYS 12 2HD LYS 12 7.329 0.402 -13.108 90 1HE LYS 12 1HE LYS 12 5.780 1.000 -11.552 91 2HE LYS 12 2HE LYS 12 5.591 -0.615 -10.886 92 1HZ LYS 12 1HZ LYS 12 7.873 -0.286 -9.903 93 2HZ LYS 12 2HZ LYS 12 7.643 1.350 -10.282 94 3HZ LYS 12 3HZ LYS 12 6.658 0.558 -9.251 95 H CYS 13 H CYS 13 5.013 -5.101 -11.874 96 HA CYS 13 HA CYS 13 2.955 -5.831 -11.427 97 1HB CYS 13 1HB CYS 13 3.712 -6.227 -9.228 98 2HB CYS 13 2HB CYS 13 3.423 -4.544 -8.789 99 H ALA 14 H ALA 14 2.761 -2.687 -9.769 100 HA ALA 14 HA ALA 14 1.161 -1.073 -9.725 101 1HB ALA 14 1HB ALA 14 1.749 -0.772 -12.123 102 2HB ALA 14 2HB ALA 14 0.425 -1.861 -12.580 103 3HB ALA 14 3HB ALA 14 0.078 -0.337 -11.749 104 H SER 15 H SER 15 -1.464 -1.941 -11.524 105 HA SER 15 HA SER 15 -3.338 -3.062 -11.286 106 1HB SER 15 1HB SER 15 -2.215 -4.701 -8.988 107 2HB SER 15 2HB SER 15 -3.647 -5.017 -9.967 108 HG SER 15 HG SER 15 -0.993 -4.873 -10.996 109 H CYS 16 H CYS 16 -1.942 -2.351 -8.076 110 HA CYS 16 HA CYS 16 -4.443 -1.720 -6.812 111 1HB CYS 16 1HB CYS 16 -2.889 -0.593 -5.092 112 2HB CYS 16 2HB CYS 16 -2.842 -2.340 -5.328 113 H VAL 17 H VAL 17 -1.938 0.362 -8.322 114 HA VAL 17 HA VAL 17 -3.218 2.810 -7.700 115 HB VAL 17 HB VAL 17 -0.916 2.738 -8.316 116 1HG1 VAL 17 1HG1 VAL 17 -0.873 1.068 -10.085 117 2HG1 VAL 17 2HG1 VAL 17 -1.764 2.170 -11.173 118 3HG1 VAL 17 3HG1 VAL 17 -0.135 2.582 -10.620 119 1HG2 VAL 17 1HG2 VAL 17 -2.364 4.816 -8.626 120 2HG2 VAL 17 2HG2 VAL 17 -0.838 4.783 -9.520 121 3HG2 VAL 17 3HG2 VAL 17 -2.366 4.452 -10.363 122 H GLU 18 H GLU 18 -3.717 0.722 -10.533 123 HA GLU 18 HA GLU 18 -5.400 2.480 -11.936 124 1HB GLU 18 1HB GLU 18 -5.357 -0.436 -12.072 125 2HB GLU 18 2HB GLU 18 -5.989 0.663 -13.292 126 1HG GLU 18 1HG GLU 18 -3.950 0.305 -14.252 127 2HG GLU 18 2HG GLU 18 -3.468 1.632 -13.191 128 H VAL 19 H VAL 19 -6.223 1.006 -8.934 129 HA VAL 19 HA VAL 19 -9.110 0.932 -9.742 130 HB VAL 19 HB VAL 19 -7.995 -1.284 -9.383 131 1HG1 VAL 19 1HG1 VAL 19 -7.857 -0.299 -6.501 132 2HG1 VAL 19 2HG1 VAL 19 -7.981 -2.007 -6.908 133 3HG1 VAL 19 3HG1 VAL 19 -6.608 -1.072 -7.500 134 1HG2 VAL 19 1HG2 VAL 19 -10.473 -0.830 -9.312 135 2HG2 VAL 19 2HG2 VAL 19 -9.922 -2.256 -8.429 136 3HG2 VAL 19 3HG2 VAL 19 -10.345 -0.781 -7.540 137 H CYS 20 H CYS 20 -6.859 2.333 -7.420 138 HA CYS 20 HA CYS 20 -8.644 2.471 -5.316 139 1HB CYS 20 1HB CYS 20 -6.301 2.935 -5.020 140 2HB CYS 20 2HB CYS 20 -6.517 4.357 -6.039 141 HA PRO 21 HA PRO 21 -11.920 5.204 -6.708 142 1HB PRO 21 1HB PRO 21 -11.783 6.012 -3.786 143 2HB PRO 21 2HB PRO 21 -13.234 5.719 -4.787 144 1HG PRO 21 1HG PRO 21 -12.317 3.781 -3.112 145 2HG PRO 21 2HG PRO 21 -12.831 3.354 -4.772 146 1HD PRO 21 1HD PRO 21 -10.002 3.719 -3.751 147 2HD PRO 21 2HD PRO 21 -10.692 2.506 -4.877 148 H VAL 22 H VAL 22 -9.327 6.550 -4.624 149 HA VAL 22 HA VAL 22 -9.408 9.113 -6.137 150 HB VAL 22 HB VAL 22 -9.133 10.322 -3.960 151 1HG1 VAL 22 1HG1 VAL 22 -11.268 10.333 -5.185 152 2HG1 VAL 22 2HG1 VAL 22 -11.809 8.913 -4.261 153 3HG1 VAL 22 3HG1 VAL 22 -11.487 10.447 -3.430 154 1HG2 VAL 22 1HG2 VAL 22 -8.573 8.274 -2.524 155 2HG2 VAL 22 2HG2 VAL 22 -9.813 9.343 -1.870 156 3HG2 VAL 22 3HG2 VAL 22 -10.278 7.816 -2.641 157 H ASP 23 H ASP 23 -7.679 7.335 -6.856 158 HA ASP 23 HA ASP 23 -5.494 6.456 -6.318 159 1HB ASP 23 1HB ASP 23 -5.666 7.342 -8.548 160 2HB ASP 23 2HB ASP 23 -5.362 8.989 -7.953 161 H CYS 24 H CYS 24 -4.467 6.413 -4.471 162 HA CYS 24 HA CYS 24 -2.755 8.735 -3.783 163 1HB CYS 24 1HB CYS 24 -3.068 8.448 -1.467 164 2HB CYS 24 2HB CYS 24 -4.650 8.736 -2.229 165 HG CYS 24 HG CYS 24 -3.756 6.585 -0.243 166 H ILE 25 H ILE 25 -2.284 6.335 -5.420 167 HA ILE 25 HA ILE 25 -0.631 4.571 -3.638 168 HB ILE 25 HB ILE 25 -1.517 3.609 -6.318 169 1HG1 ILE 25 1HG1 ILE 25 -3.611 4.744 -5.684 170 2HG1 ILE 25 2HG1 ILE 25 -3.796 3.012 -5.667 171 1HG2 ILE 25 1HG2 ILE 25 -1.153 2.409 -3.596 172 2HG2 ILE 25 2HG2 ILE 25 -2.353 1.642 -4.636 173 3HG2 ILE 25 3HG2 ILE 25 -0.712 1.762 -5.179 174 1HD1 ILE 25 1HD1 ILE 25 -3.006 4.166 -3.029 175 2HD1 ILE 25 2HD1 ILE 25 -4.628 4.486 -3.630 176 3HD1 ILE 25 3HD1 ILE 25 -4.072 2.813 -3.446 177 H HIS 26 H HIS 26 1.616 5.189 -3.902 178 HA HIS 26 HA HIS 26 2.304 6.393 -6.576 179 1HB HIS 26 1HB HIS 26 2.856 7.224 -3.710 180 2HB HIS 26 2HB HIS 26 3.514 7.994 -5.165 181 HD1 HIS 26 HD1 HIS 26 1.052 8.442 -6.991 182 HD2 HIS 26 HD2 HIS 26 0.827 8.533 -2.811 183 HE1 HIS 26 HE1 HIS 26 -1.039 9.775 -6.414 184 H GLU 27 H GLU 27 4.295 6.125 -7.443 185 HA GLU 27 HA GLU 27 6.012 4.136 -6.215 186 1HB GLU 27 1HB GLU 27 6.153 5.834 -8.702 187 2HB GLU 27 2HB GLU 27 7.620 5.020 -8.127 188 1HG GLU 27 1HG GLU 27 6.595 2.882 -8.098 189 2HG GLU 27 2HG GLU 27 4.988 3.546 -8.332 190 H GLY 28 H GLY 28 8.202 4.417 -5.813 191 1HA GLY 28 1HA GLY 28 9.326 6.899 -4.797 192 2HA GLY 28 2HA GLY 28 8.803 5.766 -3.521 193 H GLU 29 H GLU 29 9.248 3.384 -4.329 194 HA GLU 29 HA GLU 29 12.106 3.111 -5.148 195 1HB GLU 29 1HB GLU 29 12.133 1.064 -3.775 196 2HB GLU 29 2HB GLU 29 11.830 2.542 -2.869 197 1HG GLU 29 1HG GLU 29 9.251 1.805 -3.143 198 2HG GLU 29 2HG GLU 29 10.002 0.208 -3.359 199 H ASP 30 H ASP 30 9.116 1.175 -5.064 200 HA ASP 30 HA ASP 30 9.092 0.767 -7.960 201 1HB ASP 30 1HB ASP 30 10.660 -1.007 -7.357 202 2HB ASP 30 2HB ASP 30 9.630 -1.550 -6.023 203 H GLN 31 H GLN 31 8.013 -0.516 -4.913 204 HA GLN 31 HA GLN 31 5.326 -1.187 -5.526 205 1HB GLN 31 1HB GLN 31 5.158 -1.380 -3.030 206 2HB GLN 31 2HB GLN 31 6.557 -2.198 -3.703 207 1HG GLN 31 1HG GLN 31 7.843 -1.074 -2.216 208 2HG GLN 31 2HG GLN 31 7.513 0.408 -3.076 209 1HE2 GLN 31 2HE2 GLN 31 5.719 1.732 -2.433 210 2HE2 GLN 31 1HE2 GLN 31 5.179 1.686 -0.754 211 H TYR 32 H TYR 32 3.399 -0.109 -5.031 212 HA TYR 32 HA TYR 32 3.592 2.784 -5.185 213 1HB TYR 32 1HB TYR 32 1.299 0.863 -5.438 214 2HB TYR 32 2HB TYR 32 1.171 2.637 -5.504 215 HD1 TYR 32 HD1 TYR 32 2.778 -0.281 -7.236 216 HD2 TYR 32 HD2 TYR 32 1.682 3.885 -7.430 217 HE1 TYR 32 HE1 TYR 32 3.557 -0.175 -9.580 218 HE2 TYR 32 HE2 TYR 32 2.456 3.982 -9.769 219 HH TYR 32 HH TYR 32 4.122 2.814 -11.139 220 H TYR 33 H TYR 33 3.853 3.837 -3.395 221 HA TYR 33 HA TYR 33 3.306 3.236 -0.666 222 1HB TYR 33 1HB TYR 33 4.110 5.655 -2.320 223 2HB TYR 33 2HB TYR 33 3.537 5.888 -0.727 224 HD1 TYR 33 HD1 TYR 33 6.264 4.315 -2.737 225 HD2 TYR 33 HD2 TYR 33 4.762 5.167 1.186 226 HE1 TYR 33 HE1 TYR 33 8.421 3.592 -1.750 227 HE2 TYR 33 HE2 TYR 33 6.885 4.390 2.192 228 HH TYR 33 HH TYR 33 9.573 3.119 0.233 229 H ILE 34 H ILE 34 1.195 3.056 0.058 230 HA ILE 34 HA ILE 34 -0.915 4.509 -1.291 231 HB ILE 34 HB ILE 34 -0.886 2.488 0.976 232 1HG1 ILE 34 1HG1 ILE 34 -2.376 2.294 -1.687 233 2HG1 ILE 34 2HG1 ILE 34 -0.703 1.753 -1.521 234 1HG2 ILE 34 1HG2 ILE 34 -3.189 4.156 -0.089 235 2HG2 ILE 34 2HG2 ILE 34 -3.442 2.682 0.860 236 3HG2 ILE 34 3HG2 ILE 34 -2.630 4.051 1.590 237 1HD1 ILE 34 1HD1 ILE 34 -2.914 0.672 0.259 238 2HD1 ILE 34 2HD1 ILE 34 -2.448 0.006 -1.309 239 3HD1 ILE 34 3HD1 ILE 34 -1.268 0.057 0.015 240 H ASP 35 H ASP 35 -1.158 6.709 -0.594 241 HA ASP 35 HA ASP 35 -0.065 7.680 1.883 242 1HB ASP 35 1HB ASP 35 -0.812 9.171 -0.076 243 2HB ASP 35 2HB ASP 35 -2.451 8.958 0.596 244 HA PRO 36 HA PRO 36 -3.280 5.595 4.176 245 1HB PRO 36 1HB PRO 36 -2.498 6.282 6.742 246 2HB PRO 36 2HB PRO 36 -1.747 4.964 5.776 247 1HG PRO 36 1HG PRO 36 -0.765 7.772 6.280 248 2HG PRO 36 2HG PRO 36 0.203 6.268 6.110 249 1HD PRO 36 1HD PRO 36 -0.125 8.147 4.116 250 2HD PRO 36 2HD PRO 36 0.226 6.426 3.825 251 H ASP 37 H ASP 37 -2.579 9.017 4.313 252 HA ASP 37 HA ASP 37 -4.991 9.612 5.947 253 1HB ASP 37 1HB ASP 37 -3.694 11.242 6.607 254 2HB ASP 37 2HB ASP 37 -2.532 11.014 5.324 255 H VAL 38 H VAL 38 -3.831 9.673 2.538 256 HA VAL 38 HA VAL 38 -6.411 10.845 1.740 257 HB VAL 38 HB VAL 38 -4.299 9.694 -0.077 258 1HG1 VAL 38 1HG1 VAL 38 -6.653 11.566 -0.528 259 2HG1 VAL 38 2HG1 VAL 38 -5.399 11.194 -1.730 260 3HG1 VAL 38 3HG1 VAL 38 -6.487 9.918 -1.169 261 1HG2 VAL 38 1HG2 VAL 38 -4.783 12.559 0.868 262 2HG2 VAL 38 2HG2 VAL 38 -3.388 11.568 1.317 263 3HG2 VAL 38 3HG2 VAL 38 -3.607 12.055 -0.365 264 H CYS 39 H CYS 39 -5.102 7.504 2.018 265 HA CYS 39 HA CYS 39 -7.218 6.233 0.611 266 1HB CYS 39 1HB CYS 39 -5.270 4.977 1.296 267 2HB CYS 39 2HB CYS 39 -5.619 5.336 2.989 268 H ILE 40 H ILE 40 -9.332 6.113 1.035 269 HA ILE 40 HA ILE 40 -10.403 7.072 3.629 270 HB ILE 40 HB ILE 40 -12.534 7.141 2.385 271 1HG1 ILE 40 1HG1 ILE 40 -10.921 6.585 -0.146 272 2HG1 ILE 40 2HG1 ILE 40 -11.813 5.313 0.682 273 1HG2 ILE 40 1HG2 ILE 40 -10.352 8.898 2.219 274 2HG2 ILE 40 2HG2 ILE 40 -10.903 8.753 0.549 275 3HG2 ILE 40 3HG2 ILE 40 -12.036 9.248 1.815 276 1HD1 ILE 40 1HD1 ILE 40 -13.497 7.686 0.250 277 2HD1 ILE 40 2HD1 ILE 40 -12.832 7.026 -1.257 278 3HD1 ILE 40 3HD1 ILE 40 -13.773 5.984 -0.173 279 H ASP 41 H ASP 41 -9.131 4.529 3.702 280 HA ASP 41 HA ASP 41 -9.443 2.293 4.125 281 1HB ASP 41 1HB ASP 41 -11.238 3.795 6.034 282 2HB ASP 41 2HB ASP 41 -11.129 2.033 6.119 283 H CYS 42 H CYS 42 -10.346 2.162 1.865 284 HA CYS 42 HA CYS 42 -13.161 1.211 1.841 285 1HB CYS 42 1HB CYS 42 -13.273 1.620 -0.321 286 2HB CYS 42 2HB CYS 42 -12.203 2.919 0.164 287 H GLY 43 H GLY 43 -12.899 -0.565 -0.328 288 1HA GLY 43 1HA GLY 43 -10.990 -2.684 0.465 289 2HA GLY 43 2HA GLY 43 -12.704 -3.107 0.323 290 H ALA 44 H ALA 44 -9.787 -2.444 -1.400 291 HA ALA 44 HA ALA 44 -10.876 -3.341 -3.902 292 1HB ALA 44 1HB ALA 44 -10.576 -0.396 -3.499 293 2HB ALA 44 2HB ALA 44 -9.899 -1.049 -4.998 294 3HB ALA 44 3HB ALA 44 -11.609 -1.306 -4.615 295 H CYS 45 H CYS 45 -8.130 -1.306 -2.713 296 HA CYS 45 HA CYS 45 -6.338 -2.350 -4.665 297 1HB CYS 45 1HB CYS 45 -4.611 -1.204 -3.446 298 2HB CYS 45 2HB CYS 45 -5.990 -0.183 -3.772 299 H GLU 46 H GLU 46 -6.636 -3.057 -1.182 300 HA GLU 46 HA GLU 46 -4.735 -5.187 -1.047 301 1HB GLU 46 1HB GLU 46 -6.742 -5.975 0.721 302 2HB GLU 46 2HB GLU 46 -5.311 -5.037 1.106 303 1HG GLU 46 1HG GLU 46 -7.447 -4.102 1.987 304 2HG GLU 46 2HG GLU 46 -6.524 -2.964 0.999 305 H ALA 47 H ALA 47 -8.284 -5.478 -1.506 306 HA ALA 47 HA ALA 47 -8.357 -8.170 -2.139 307 1HB ALA 47 1HB ALA 47 -10.338 -6.735 -1.835 308 2HB ALA 47 2HB ALA 47 -10.041 -5.971 -3.409 309 3HB ALA 47 3HB ALA 47 -10.449 -7.696 -3.324 310 H VAL 48 H VAL 48 -7.462 -5.502 -4.362 311 HA VAL 48 HA VAL 48 -7.375 -7.219 -6.692 312 HB VAL 48 HB VAL 48 -6.945 -4.367 -6.055 313 1HG1 VAL 48 1HG1 VAL 48 -5.320 -5.526 -8.322 314 2HG1 VAL 48 2HG1 VAL 48 -5.719 -3.813 -8.079 315 3HG1 VAL 48 3HG1 VAL 48 -4.714 -4.650 -6.890 316 1HG2 VAL 48 1HG2 VAL 48 -8.819 -5.760 -7.467 317 2HG2 VAL 48 2HG2 VAL 48 -8.448 -4.062 -7.744 318 3HG2 VAL 48 3HG2 VAL 48 -7.722 -5.297 -8.782 319 H CYS 49 H CYS 49 -4.860 -6.117 -4.376 320 HA CYS 49 HA CYS 49 -2.672 -7.087 -5.860 321 1HB CYS 49 1HB CYS 49 -2.736 -5.695 -3.668 322 2HB CYS 49 2HB CYS 49 -2.818 -7.281 -2.872 323 HA PRO 50 HA PRO 50 -4.160 -11.378 -5.590 324 1HB PRO 50 1HB PRO 50 -2.554 -12.604 -7.414 325 2HB PRO 50 2HB PRO 50 -3.775 -11.391 -7.886 326 1HG PRO 50 1HG PRO 50 -0.817 -10.923 -7.392 327 2HG PRO 50 2HG PRO 50 -1.768 -10.453 -8.832 328 1HD PRO 50 1HD PRO 50 -1.281 -8.719 -6.774 329 2HD PRO 50 2HD PRO 50 -2.826 -8.697 -7.671 330 H VAL 51 H VAL 51 -2.008 -10.254 -3.822 331 HA VAL 51 HA VAL 51 -0.770 -12.689 -2.744 332 HB VAL 51 HB VAL 51 1.296 -11.942 -3.209 333 1HG1 VAL 51 1HG1 VAL 51 0.021 -9.482 -4.491 334 2HG1 VAL 51 2HG1 VAL 51 1.722 -9.946 -4.643 335 3HG1 VAL 51 3HG1 VAL 51 0.476 -10.997 -5.318 336 1HG2 VAL 51 1HG2 VAL 51 1.223 -10.582 -1.116 337 2HG2 VAL 51 2HG2 VAL 51 2.217 -9.845 -2.372 338 3HG2 VAL 51 3HG2 VAL 51 0.578 -9.220 -2.093 339 H SER 52 H SER 52 -2.437 -9.570 -2.408 340 HA SER 52 HA SER 52 -2.998 -8.272 -0.710 341 1HB SER 52 1HB SER 52 -3.261 -10.906 0.774 342 2HB SER 52 2HB SER 52 -4.114 -9.386 1.109 343 HG SER 52 HG SER 52 -4.747 -9.645 -1.279 344 H ALA 53 H ALA 53 -0.542 -7.825 -0.986 345 HA ALA 53 HA ALA 53 1.094 -8.232 1.427 346 1HB ALA 53 1HB ALA 53 2.140 -7.974 -0.828 347 2HB ALA 53 2HB ALA 53 1.444 -6.345 -0.946 348 3HB ALA 53 3HB ALA 53 2.657 -6.712 0.297 349 H ILE 54 H ILE 54 -1.313 -6.044 0.207 350 HA ILE 54 HA ILE 54 -0.709 -3.815 1.974 351 HB ILE 54 HB ILE 54 -3.090 -4.519 0.249 352 1HG1 ILE 54 1HG1 ILE 54 -0.893 -2.508 -0.401 353 2HG1 ILE 54 2HG1 ILE 54 -0.882 -4.169 -0.999 354 1HG2 ILE 54 1HG2 ILE 54 -3.525 -2.871 2.133 355 2HG2 ILE 54 2HG2 ILE 54 -2.388 -1.767 1.339 356 3HG2 ILE 54 3HG2 ILE 54 -3.882 -2.275 0.516 357 1HD1 ILE 54 1HD1 ILE 54 -3.104 -3.817 -2.052 358 2HD1 ILE 54 2HD1 ILE 54 -3.009 -2.104 -1.617 359 3HD1 ILE 54 3HD1 ILE 54 -1.817 -2.804 -2.719 360 H TYR 55 H TYR 55 -1.381 -3.772 4.121 361 HA TYR 55 HA TYR 55 -3.718 -5.413 4.965 362 1HB TYR 55 1HB TYR 55 -1.010 -5.068 6.310 363 2HB TYR 55 2HB TYR 55 -2.409 -5.770 7.071 364 HD1 TYR 55 HD1 TYR 55 -3.490 -7.837 5.721 365 HD2 TYR 55 HD2 TYR 55 0.580 -6.469 5.292 366 HE1 TYR 55 HE1 TYR 55 -2.845 -10.027 4.753 367 HE2 TYR 55 HE2 TYR 55 1.218 -8.668 4.365 368 HH TYR 55 HH TYR 55 -0.754 -10.482 2.919 369 H HIS 56 H HIS 56 -4.442 -4.491 7.211 370 HA HIS 56 HA HIS 56 -4.565 -1.605 7.061 371 1HB HIS 56 1HB HIS 56 -6.091 -3.403 8.396 372 2HB HIS 56 2HB HIS 56 -4.983 -2.995 9.689 373 HD1 HIS 56 HD1 HIS 56 -5.659 -0.763 11.025 374 HD2 HIS 56 HD2 HIS 56 -7.136 -0.991 7.070 375 HE1 HIS 56 HE1 HIS 56 -7.013 1.304 10.647 376 H GLU 57 H GLU 57 -3.472 -0.038 8.259 377 HA GLU 57 HA GLU 57 -0.805 -0.461 8.680 378 1HB GLU 57 1HB GLU 57 -0.951 1.723 9.907 379 2HB GLU 57 2HB GLU 57 -1.929 1.738 8.414 380 1HG GLU 57 1HG GLU 57 -3.819 0.949 10.030 381 2HG GLU 57 2HG GLU 57 -2.718 1.539 11.285 382 H ASP 58 H ASP 58 -3.340 -0.791 11.077 383 HA ASP 58 HA ASP 58 -1.745 -1.376 13.291 384 1HB ASP 58 1HB ASP 58 -4.439 -2.534 12.495 385 2HB ASP 58 2HB ASP 58 -3.748 -2.513 14.116 386 H PHE 59 H PHE 59 -2.630 -3.345 10.533 387 HA PHE 59 HA PHE 59 -2.209 -5.915 11.926 388 1HB PHE 59 1HB PHE 59 -3.050 -5.102 9.122 389 2HB PHE 59 2HB PHE 59 -2.722 -6.742 9.607 390 HD1 PHE 59 HD1 PHE 59 -4.379 -4.997 12.324 391 HD2 PHE 59 HD2 PHE 59 -5.032 -7.015 8.555 392 HE1 PHE 59 HE1 PHE 59 -6.772 -5.194 12.839 393 HE2 PHE 59 HE2 PHE 59 -7.434 -7.239 9.108 394 HZ PHE 59 HZ PHE 59 -8.315 -6.315 11.242 395 H VAL 60 H VAL 60 -0.625 -3.815 9.519 396 HA VAL 60 HA VAL 60 1.322 -5.594 8.602 397 HB VAL 60 HB VAL 60 1.414 -2.604 9.094 398 1HG1 VAL 60 1HG1 VAL 60 3.529 -4.475 7.986 399 2HG1 VAL 60 2HG1 VAL 60 3.484 -2.759 7.554 400 3HG1 VAL 60 3HG1 VAL 60 3.711 -3.232 9.242 401 1HG2 VAL 60 1HG2 VAL 60 1.130 -4.429 6.660 402 2HG2 VAL 60 2HG2 VAL 60 -0.092 -3.320 7.330 403 3HG2 VAL 60 3HG2 VAL 60 1.341 -2.690 6.528 404 HA PRO 61 HA PRO 61 3.319 -6.690 12.494 405 1HB PRO 61 1HB PRO 61 5.614 -7.341 10.634 406 2HB PRO 61 2HB PRO 61 4.977 -8.306 11.992 407 1HG PRO 61 1HG PRO 61 4.317 -8.948 9.434 408 2HG PRO 61 2HG PRO 61 3.062 -8.963 10.711 409 1HD PRO 61 1HD PRO 61 3.597 -6.812 8.654 410 2HD PRO 61 2HD PRO 61 2.047 -7.517 9.217 411 H GLU 62 H GLU 62 4.824 -5.678 13.937 412 HA GLU 62 HA GLU 62 5.559 -3.126 13.829 413 1HB GLU 62 1HB GLU 62 6.473 -5.710 15.150 414 2HB GLU 62 2HB GLU 62 7.288 -4.219 15.479 415 1HG GLU 62 1HG GLU 62 5.509 -4.725 17.150 416 2HG GLU 62 2HG GLU 62 5.292 -3.162 16.351 417 H GLU 63 H GLU 63 7.620 -5.900 12.775 418 HA GLU 63 HA GLU 63 9.993 -4.590 12.138 419 1HB GLU 63 1HB GLU 63 8.607 -6.764 10.527 420 2HB GLU 63 2HB GLU 63 10.320 -6.341 10.493 421 1HG GLU 63 1HG GLU 63 10.447 -8.107 11.912 422 2HG GLU 63 2HG GLU 63 10.146 -6.867 13.131 423 H TRP 64 H TRP 64 6.984 -4.802 10.268 424 HA TRP 64 HA TRP 64 8.058 -3.105 8.077 425 1HB TRP 64 1HB TRP 64 5.705 -4.975 8.320 426 2HB TRP 64 2HB TRP 64 5.973 -3.932 6.923 427 HD1 TRP 64 HD1 TRP 64 9.295 -4.699 7.098 428 HE1 TRP 64 HE1 TRP 64 9.944 -6.782 5.734 429 HE3 TRP 64 HE3 TRP 64 4.694 -6.947 6.648 430 HZ2 TRP 64 HZ2 TRP 64 8.765 -9.220 4.916 431 HZ3 TRP 64 HZ3 TRP 64 4.499 -9.102 5.447 432 HH2 TRP 64 HH2 TRP 64 6.546 -10.190 4.487 433 H LYS 65 H LYS 65 6.325 -2.580 11.027 434 HA LYS 65 HA LYS 65 4.545 -0.589 10.082 435 1HB LYS 65 1HB LYS 65 5.841 -1.297 12.716 436 2HB LYS 65 2HB LYS 65 5.010 0.176 12.517 437 1HG LYS 65 1HG LYS 65 2.993 -1.131 11.595 438 2HG LYS 65 2HG LYS 65 3.844 -2.584 12.138 439 1HD LYS 65 1HD LYS 65 3.745 -1.780 14.483 440 2HD LYS 65 2HD LYS 65 3.157 -0.210 13.932 441 1HE LYS 65 1HE LYS 65 1.277 -1.383 14.821 442 2HE LYS 65 2HE LYS 65 1.070 -1.282 13.068 443 1HZ LYS 65 1HZ LYS 65 1.915 -3.589 12.986 444 2HZ LYS 65 2HZ LYS 65 1.958 -3.615 14.636 445 3HZ LYS 65 3HZ LYS 65 0.517 -3.463 13.821 446 H SER 66 H SER 66 7.988 -0.777 10.132 447 HA SER 66 HA SER 66 8.782 1.935 10.128 448 1HB SER 66 1HB SER 66 10.513 0.933 8.478 449 2HB SER 66 2HB SER 66 10.422 0.193 10.089 450 HG SER 66 HG SER 66 9.868 -1.627 9.145 451 H TYR 67 H TYR 67 7.324 -0.167 7.557 452 HA TYR 67 HA TYR 67 7.329 1.924 5.569 453 1HB TYR 67 1HB TYR 67 5.846 -0.699 5.749 454 2HB TYR 67 2HB TYR 67 5.388 0.548 4.600 455 HD1 TYR 67 HD1 TYR 67 7.138 1.549 3.028 456 HD2 TYR 67 HD2 TYR 67 7.565 -2.245 5.039 457 HE1 TYR 67 HE1 TYR 67 8.662 0.775 1.240 458 HE2 TYR 67 HE2 TYR 67 9.075 -3.020 3.223 459 HH TYR 67 HH TYR 67 9.890 -0.994 0.391 460 H ILE 68 H ILE 68 5.005 1.159 8.271 461 HA ILE 68 HA ILE 68 2.885 2.727 7.126 462 HB ILE 68 HB ILE 68 3.576 1.583 9.850 463 1HG1 ILE 68 1HG1 ILE 68 1.616 0.329 9.590 464 2HG1 ILE 68 2HG1 ILE 68 1.061 1.299 8.215 465 1HG2 ILE 68 1HG2 ILE 68 1.389 3.562 9.264 466 2HG2 ILE 68 2HG2 ILE 68 1.448 2.500 10.695 467 3HG2 ILE 68 3HG2 ILE 68 2.717 3.707 10.448 468 1HD1 ILE 68 1HD1 ILE 68 3.445 -0.583 8.193 469 2HD1 ILE 68 2HD1 ILE 68 1.823 -0.888 7.544 470 3HD1 ILE 68 3HD1 ILE 68 2.841 0.329 6.798 471 H GLN 69 H GLN 69 5.567 3.387 9.411 472 HA GLN 69 HA GLN 69 5.084 6.168 9.695 473 1HB GLN 69 1HB GLN 69 6.740 4.865 10.990 474 2HB GLN 69 2HB GLN 69 7.802 4.769 9.587 475 1HG GLN 69 1HG GLN 69 6.861 7.376 10.862 476 2HG GLN 69 2HG GLN 69 8.355 6.547 11.309 477 1HE2 GLN 69 2HE2 GLN 69 8.062 9.277 10.197 478 2HE2 GLN 69 1HE2 GLN 69 8.934 9.301 8.676 479 H LYS 70 H LYS 70 7.077 4.428 7.239 480 HA LYS 70 HA LYS 70 7.892 6.777 5.959 481 1HB LYS 70 1HB LYS 70 8.852 4.385 5.801 482 2HB LYS 70 2HB LYS 70 7.597 4.098 4.601 483 1HG LYS 70 1HG LYS 70 9.500 4.572 3.375 484 2HG LYS 70 2HG LYS 70 8.579 6.056 3.286 485 1HD LYS 70 1HD LYS 70 10.883 5.555 5.260 486 2HD LYS 70 2HD LYS 70 11.104 6.186 3.639 487 1HE LYS 70 1HE LYS 70 10.954 8.237 4.469 488 2HE LYS 70 2HE LYS 70 9.221 7.982 4.594 489 1HZ LYS 70 1HZ LYS 70 9.661 7.226 6.931 490 2HZ LYS 70 2HZ LYS 70 11.245 7.606 6.723 491 3HZ LYS 70 3HZ LYS 70 10.087 8.764 6.635 492 H ASN 71 H ASN 71 5.191 4.669 5.245 493 HA ASN 71 HA ASN 71 4.121 6.051 2.975 494 1HB ASN 71 1HB ASN 71 3.009 4.150 4.985 495 2HB ASN 71 2HB ASN 71 1.912 4.975 3.921 496 1HD2 ASN 71 2HD2 ASN 71 4.699 2.768 3.976 497 2HD2 ASN 71 1HD2 ASN 71 4.414 2.073 2.384 498 H ARG 72 H ARG 72 3.724 6.622 6.467 499 HA ARG 72 HA ARG 72 1.627 8.566 6.183 500 1HB ARG 72 1HB ARG 72 2.727 7.267 8.293 501 2HB ARG 72 2HB ARG 72 3.667 8.713 8.394 502 1HG ARG 72 1HG ARG 72 1.956 9.839 9.343 503 2HG ARG 72 2HG ARG 72 0.874 9.480 8.003 504 1HD ARG 72 1HD ARG 72 1.407 7.751 10.440 505 2HD ARG 72 2HD ARG 72 -0.093 8.611 10.005 506 HE ARG 72 HE ARG 72 0.824 6.684 8.012 507 1HH1 ARG 72 1HH1 ARG 72 -1.188 6.954 10.985 508 2HH1 ARG 72 2HH1 ARG 72 -2.010 5.434 10.585 509 1HH2 ARG 72 1HH2 ARG 72 -0.370 4.677 7.675 510 2HH2 ARG 72 2HH2 ARG 72 -1.582 4.280 8.900 511 H ASP 73 H ASP 73 5.109 8.668 6.554 512 HA ASP 73 HA ASP 73 5.507 11.460 6.706 513 1HB ASP 73 1HB ASP 73 6.803 9.654 7.734 514 2HB ASP 73 2HB ASP 73 7.239 9.001 6.155 515 H PHE 74 H PHE 74 6.042 9.197 3.995 516 HA PHE 74 HA PHE 74 7.472 10.481 2.174 517 1HB PHE 74 1HB PHE 74 5.365 8.577 2.041 518 2HB PHE 74 2HB PHE 74 5.199 9.712 0.713 519 HD1 PHE 74 HD1 PHE 74 8.201 8.177 2.375 520 HD2 PHE 74 HD2 PHE 74 5.952 8.733 -1.257 521 HE1 PHE 74 HE1 PHE 74 9.922 6.892 1.102 522 HE2 PHE 74 HE2 PHE 74 7.663 7.496 -2.517 523 HZ PHE 74 HZ PHE 74 9.656 6.547 -1.331 524 H PHE 75 H PHE 75 4.024 11.184 2.449 525 HA PHE 75 HA PHE 75 4.280 13.483 0.613 526 1HB PHE 75 1HB PHE 75 1.763 12.390 1.762 527 2HB PHE 75 2HB PHE 75 1.991 13.243 0.251 528 HD1 PHE 75 HD1 PHE 75 3.308 12.047 -1.627 529 HD2 PHE 75 HD2 PHE 75 1.914 9.995 1.908 530 HE1 PHE 75 HE1 PHE 75 3.569 9.863 -2.777 531 HE2 PHE 75 HE2 PHE 75 2.175 7.829 0.756 532 HZ PHE 75 HZ PHE 75 2.943 7.770 -1.602 533 H LYS 76 H LYS 76 4.490 13.143 3.964 534 HA LYS 76 HA LYS 76 2.833 15.551 4.604 535 1HB LYS 76 1HB LYS 76 3.740 13.077 6.059 536 2HB LYS 76 2HB LYS 76 3.427 14.541 6.966 537 1HG LYS 76 1HG LYS 76 1.493 12.953 6.805 538 2HG LYS 76 2HG LYS 76 1.139 14.623 6.343 539 1HD LYS 76 1HD LYS 76 1.047 14.069 4.002 540 2HD LYS 76 2HD LYS 76 1.729 12.449 4.291 541 1HE LYS 76 1HE LYS 76 -0.231 11.745 5.508 542 2HE LYS 76 2HE LYS 76 -0.933 13.373 5.469 543 1HZ LYS 76 1HZ LYS 76 -0.467 12.205 2.820 544 2HZ LYS 76 2HZ LYS 76 -1.477 11.419 3.722 545 3HZ LYS 76 3HZ LYS 76 -1.835 12.939 3.502 546 H LYS 77 H LYS 77 4.573 16.948 3.542 547 HA LYS 77 HA LYS 77 5.851 18.255 5.568 548 1HB LYS 77 1HB LYS 77 8.049 18.257 4.657 549 2HB LYS 77 2HB LYS 77 7.660 16.701 5.369 550 1HG LYS 77 1HG LYS 77 7.464 17.252 2.371 551 2HG LYS 77 2HG LYS 77 9.010 16.865 3.108 552 1HD LYS 77 1HD LYS 77 6.572 15.028 3.147 553 2HD LYS 77 2HD LYS 77 7.922 14.939 2.034 554 1HE LYS 77 1HE LYS 77 8.605 13.362 3.557 555 2HE LYS 77 2HE LYS 77 9.438 14.787 4.196 556 1HZ LYS 77 1HZ LYS 77 7.302 14.885 5.723 557 2HZ LYS 77 2HZ LYS 77 7.042 13.415 5.121 558 3HZ LYS 77 3HZ LYS 77 8.349 13.571 5.958 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -7.012 1.583 7.833 2 2H ALA 1 2H ALA 1 -7.232 2.950 8.455 3 3H ALA 1 3H ALA 1 -8.194 2.432 7.400 4 HA ALA 1 HA ALA 1 -6.838 3.239 5.585 5 1HB ALA 1 1HB ALA 1 -5.061 3.992 7.941 6 2HB ALA 1 2HB ALA 1 -4.692 4.387 6.251 7 3HB ALA 1 3HB ALA 1 -6.155 5.048 7.020 8 H TYR 2 H TYR 2 -5.188 2.262 4.211 9 HA TYR 2 HA TYR 2 -3.924 -0.159 5.430 10 1HB TYR 2 1HB TYR 2 -4.775 0.332 2.534 11 2HB TYR 2 2HB TYR 2 -4.007 -1.116 3.166 12 HD1 TYR 2 HD1 TYR 2 -7.139 0.920 3.316 13 HD2 TYR 2 HD2 TYR 2 -5.302 -2.921 4.023 14 HE1 TYR 2 HE1 TYR 2 -9.363 -0.076 3.733 15 HE2 TYR 2 HE2 TYR 2 -7.544 -3.917 4.376 16 HH TYR 2 HH TYR 2 -10.520 -1.933 4.357 17 H VAL 3 H VAL 3 -1.949 -0.795 4.644 18 HA VAL 3 HA VAL 3 -0.225 1.248 3.300 19 HB VAL 3 HB VAL 3 0.110 -0.231 5.925 20 1HG1 VAL 3 1HG1 VAL 3 2.251 -0.525 4.406 21 2HG1 VAL 3 2HG1 VAL 3 2.465 1.204 4.745 22 3HG1 VAL 3 3HG1 VAL 3 2.417 0.015 6.026 23 1HG2 VAL 3 1HG2 VAL 3 -0.852 2.063 5.909 24 2HG2 VAL 3 2HG2 VAL 3 0.735 2.068 6.687 25 3HG2 VAL 3 3HG2 VAL 3 0.556 2.663 5.027 26 H ILE 4 H ILE 4 1.322 0.461 1.967 27 HA ILE 4 HA ILE 4 1.233 -2.408 1.197 28 HB ILE 4 HB ILE 4 2.450 0.069 -0.101 29 1HG1 ILE 4 1HG1 ILE 4 0.425 -1.980 -1.047 30 2HG1 ILE 4 2HG1 ILE 4 -0.055 -0.458 -0.262 31 1HG2 ILE 4 1HG2 ILE 4 2.663 -2.885 -0.834 32 2HG2 ILE 4 2HG2 ILE 4 3.104 -1.572 -1.937 33 3HG2 ILE 4 3HG2 ILE 4 4.019 -1.804 -0.460 34 1HD1 ILE 4 1HD1 ILE 4 0.997 0.804 -2.108 35 2HD1 ILE 4 2HD1 ILE 4 1.356 -0.735 -2.938 36 3HD1 ILE 4 3HD1 ILE 4 -0.317 -0.261 -2.645 37 H THR 5 H THR 5 2.913 -3.757 1.588 38 HA THR 5 HA THR 5 5.314 -2.699 2.999 39 HB THR 5 HB THR 5 5.159 -4.711 4.459 40 HG1 THR 5 HG1 THR 5 2.574 -5.023 3.266 41 1HG2 THR 5 1HG2 THR 5 4.253 -2.465 5.186 42 2HG2 THR 5 2HG2 THR 5 2.638 -3.022 4.700 43 3HG2 THR 5 3HG2 THR 5 3.542 -3.874 5.963 44 H GLU 6 H GLU 6 6.978 -4.298 3.119 45 HA GLU 6 HA GLU 6 8.464 -5.114 1.250 46 1HB GLU 6 1HB GLU 6 8.558 -5.550 3.684 47 2HB GLU 6 2HB GLU 6 7.779 -7.100 3.418 48 1HG GLU 6 1HG GLU 6 9.683 -7.979 2.578 49 2HG GLU 6 2HG GLU 6 10.130 -6.509 1.740 50 HA PRO 7 HA PRO 7 6.621 -9.195 -0.246 51 1HB PRO 7 1HB PRO 7 3.665 -8.906 0.219 52 2HB PRO 7 2HB PRO 7 4.670 -10.383 0.250 53 1HG PRO 7 1HG PRO 7 3.901 -9.255 2.587 54 2HG PRO 7 2HG PRO 7 5.609 -9.759 2.381 55 1HD PRO 7 1HD PRO 7 4.424 -7.013 1.921 56 2HD PRO 7 2HD PRO 7 5.766 -7.422 3.001 57 H CYS 8 H CYS 8 4.991 -6.087 -0.705 58 HA CYS 8 HA CYS 8 3.993 -6.572 -3.360 59 1HB CYS 8 1HB CYS 8 3.184 -4.718 -2.082 60 2HB CYS 8 2HB CYS 8 4.831 -4.129 -1.831 61 H ILE 9 H ILE 9 7.238 -6.017 -2.090 62 HA ILE 9 HA ILE 9 8.381 -4.578 -4.237 63 HB ILE 9 HB ILE 9 9.743 -6.092 -2.142 64 1HG1 ILE 9 1HG1 ILE 9 9.036 -3.133 -2.616 65 2HG1 ILE 9 2HG1 ILE 9 8.150 -4.195 -1.528 66 1HG2 ILE 9 1HG2 ILE 9 10.990 -5.377 -4.483 67 2HG2 ILE 9 2HG2 ILE 9 10.790 -3.764 -3.821 68 3HG2 ILE 9 3HG2 ILE 9 11.705 -4.993 -2.919 69 1HD1 ILE 9 1HD1 ILE 9 10.274 -4.680 -0.376 70 2HD1 ILE 9 2HD1 ILE 9 11.019 -3.428 -1.422 71 3HD1 ILE 9 3HD1 ILE 9 9.740 -2.977 -0.264 72 H GLY 10 H GLY 10 7.359 -6.000 -6.011 73 1HA GLY 10 1HA GLY 10 9.287 -8.094 -6.974 74 2HA GLY 10 2HA GLY 10 7.523 -8.259 -7.118 75 H THR 11 H THR 11 9.787 -5.577 -7.504 76 HA THR 11 HA THR 11 9.957 -3.918 -8.862 77 HB THR 11 HB THR 11 11.440 -5.428 -9.865 78 HG1 THR 11 HG1 THR 11 11.088 -3.345 -10.766 79 1HG2 THR 11 1HG2 THR 11 9.264 -6.240 -11.834 80 2HG2 THR 11 2HG2 THR 11 10.983 -6.656 -11.930 81 3HG2 THR 11 3HG2 THR 11 10.001 -7.280 -10.596 82 H LYS 12 H LYS 12 8.243 -2.744 -8.520 83 HA LYS 12 HA LYS 12 6.741 -1.304 -9.090 84 1HB LYS 12 1HB LYS 12 8.063 -1.378 -11.251 85 2HB LYS 12 2HB LYS 12 6.725 -2.274 -11.970 86 1HG LYS 12 1HG LYS 12 5.168 -0.478 -11.502 87 2HG LYS 12 2HG LYS 12 6.329 0.390 -10.515 88 1HD LYS 12 1HD LYS 12 6.442 -0.035 -13.530 89 2HD LYS 12 2HD LYS 12 6.083 1.460 -12.660 90 1HE LYS 12 1HE LYS 12 8.768 0.054 -12.948 91 2HE LYS 12 2HE LYS 12 8.308 1.701 -13.403 92 1HZ LYS 12 1HZ LYS 12 8.013 2.062 -10.920 93 2HZ LYS 12 2HZ LYS 12 8.819 0.623 -10.719 94 3HZ LYS 12 3HZ LYS 12 9.558 1.849 -11.443 95 H CYS 13 H CYS 13 5.738 -4.252 -10.871 96 HA CYS 13 HA CYS 13 3.746 -5.316 -11.099 97 1HB CYS 13 1HB CYS 13 3.802 -5.939 -8.902 98 2HB CYS 13 2HB CYS 13 3.533 -4.312 -8.333 99 H ALA 14 H ALA 14 2.677 -2.343 -9.463 100 HA ALA 14 HA ALA 14 1.195 -0.721 -9.957 101 1HB ALA 14 1HB ALA 14 2.813 -0.414 -11.846 102 2HB ALA 14 2HB ALA 14 1.727 -1.366 -12.882 103 3HB ALA 14 3HB ALA 14 1.178 0.171 -12.195 104 H SER 15 H SER 15 -0.016 -3.334 -9.542 105 HA SER 15 HA SER 15 -2.533 -3.051 -11.154 106 1HB SER 15 1HB SER 15 -1.662 -5.346 -9.375 107 2HB SER 15 2HB SER 15 -3.063 -5.289 -10.450 108 HG SER 15 HG SER 15 -0.505 -4.764 -11.511 109 H CYS 16 H CYS 16 -1.594 -1.483 -8.564 110 HA CYS 16 HA CYS 16 -4.318 -1.532 -7.363 111 1HB CYS 16 1HB CYS 16 -3.166 -0.622 -5.280 112 2HB CYS 16 2HB CYS 16 -3.110 -2.379 -5.552 113 H VAL 17 H VAL 17 -3.971 -0.157 -9.632 114 HA VAL 17 HA VAL 17 -3.710 2.655 -8.602 115 HB VAL 17 HB VAL 17 -2.675 3.445 -10.499 116 1HG1 VAL 17 1HG1 VAL 17 -1.243 2.236 -8.823 117 2HG1 VAL 17 2HG1 VAL 17 -1.215 0.838 -9.920 118 3HG1 VAL 17 3HG1 VAL 17 -0.529 2.386 -10.443 119 1HG2 VAL 17 1HG2 VAL 17 -2.883 0.713 -11.827 120 2HG2 VAL 17 2HG2 VAL 17 -3.710 2.210 -12.331 121 3HG2 VAL 17 3HG2 VAL 17 -1.955 2.094 -12.432 122 H GLU 18 H GLU 18 -5.160 0.511 -10.951 123 HA GLU 18 HA GLU 18 -6.910 2.443 -12.116 124 1HB GLU 18 1HB GLU 18 -7.710 0.478 -13.370 125 2HB GLU 18 2HB GLU 18 -5.958 0.688 -13.434 126 1HG GLU 18 1HG GLU 18 -7.136 -1.099 -11.318 127 2HG GLU 18 2HG GLU 18 -7.047 -1.679 -12.983 128 H VAL 19 H VAL 19 -7.255 1.500 -9.093 129 HA VAL 19 HA VAL 19 -10.227 1.152 -9.235 130 HB VAL 19 HB VAL 19 -10.042 -0.321 -7.280 131 1HG1 VAL 19 1HG1 VAL 19 -10.167 -1.136 -9.722 132 2HG1 VAL 19 2HG1 VAL 19 -8.457 -1.577 -9.524 133 3HG1 VAL 19 3HG1 VAL 19 -9.686 -2.294 -8.471 134 1HG2 VAL 19 1HG2 VAL 19 -7.781 0.304 -6.445 135 2HG2 VAL 19 2HG2 VAL 19 -7.932 -1.436 -6.732 136 3HG2 VAL 19 3HG2 VAL 19 -7.046 -0.430 -7.887 137 H CYS 20 H CYS 20 -7.546 2.884 -7.666 138 HA CYS 20 HA CYS 20 -8.995 3.193 -5.271 139 1HB CYS 20 1HB CYS 20 -6.553 3.327 -5.410 140 2HB CYS 20 2HB CYS 20 -6.773 4.854 -6.270 141 HA PRO 21 HA PRO 21 -11.919 6.215 -6.719 142 1HB PRO 21 1HB PRO 21 -12.626 7.141 -4.083 143 2HB PRO 21 2HB PRO 21 -13.480 5.966 -5.109 144 1HG PRO 21 1HG PRO 21 -11.817 5.473 -2.739 145 2HG PRO 21 2HG PRO 21 -12.863 4.335 -3.624 146 1HD PRO 21 1HD PRO 21 -9.998 4.487 -3.693 147 2HD PRO 21 2HD PRO 21 -11.069 3.441 -4.678 148 H VAL 22 H VAL 22 -9.261 7.074 -4.551 149 HA VAL 22 HA VAL 22 -9.366 9.878 -5.534 150 HB VAL 22 HB VAL 22 -10.578 9.736 -3.418 151 1HG1 VAL 22 1HG1 VAL 22 -9.490 7.841 -2.323 152 2HG1 VAL 22 2HG1 VAL 22 -7.984 8.763 -2.152 153 3HG1 VAL 22 3HG1 VAL 22 -9.442 9.275 -1.288 154 1HG2 VAL 22 1HG2 VAL 22 -9.257 11.774 -4.065 155 2HG2 VAL 22 2HG2 VAL 22 -9.640 11.600 -2.343 156 3HG2 VAL 22 3HG2 VAL 22 -8.006 11.254 -2.916 157 H ASP 23 H ASP 23 -7.894 7.792 -6.501 158 HA ASP 23 HA ASP 23 -5.751 7.010 -6.836 159 1HB ASP 23 1HB ASP 23 -4.717 8.608 -8.311 160 2HB ASP 23 2HB ASP 23 -6.469 8.561 -8.541 161 H CYS 24 H CYS 24 -5.588 7.300 -4.125 162 HA CYS 24 HA CYS 24 -3.174 8.879 -3.521 163 1HB CYS 24 1HB CYS 24 -3.622 8.457 -1.273 164 2HB CYS 24 2HB CYS 24 -5.150 8.895 -2.078 165 HG CYS 24 HG CYS 24 -4.152 6.318 -0.483 166 H ILE 25 H ILE 25 -2.754 6.811 -5.377 167 HA ILE 25 HA ILE 25 -1.065 4.859 -3.912 168 HB ILE 25 HB ILE 25 -1.618 3.453 -6.141 169 1HG1 ILE 25 1HG1 ILE 25 -4.034 3.328 -6.455 170 2HG1 ILE 25 2HG1 ILE 25 -4.301 4.780 -5.506 171 1HG2 ILE 25 1HG2 ILE 25 -3.232 3.538 -3.586 172 2HG2 ILE 25 2HG2 ILE 25 -3.176 2.142 -4.673 173 3HG2 ILE 25 3HG2 ILE 25 -1.699 2.656 -3.854 174 1HD1 ILE 25 1HD1 ILE 25 -2.502 4.863 -7.961 175 2HD1 ILE 25 2HD1 ILE 25 -4.265 4.955 -8.117 176 3HD1 ILE 25 3HD1 ILE 25 -3.400 6.194 -7.203 177 H HIS 26 H HIS 26 1.001 5.200 -4.312 178 HA HIS 26 HA HIS 26 1.866 6.559 -6.834 179 1HB HIS 26 1HB HIS 26 2.680 6.924 -3.907 180 2HB HIS 26 2HB HIS 26 3.268 7.852 -5.272 181 HD1 HIS 26 HD1 HIS 26 1.174 9.310 -6.604 182 HD2 HIS 26 HD2 HIS 26 0.414 7.766 -2.767 183 HE1 HIS 26 HE1 HIS 26 -0.932 10.467 -5.751 184 H GLU 27 H GLU 27 4.328 6.293 -7.048 185 HA GLU 27 HA GLU 27 5.359 3.759 -5.876 186 1HB GLU 27 1HB GLU 27 6.195 5.422 -8.286 187 2HB GLU 27 2HB GLU 27 7.265 4.192 -7.582 188 1HG GLU 27 1HG GLU 27 5.591 2.465 -7.797 189 2HG GLU 27 2HG GLU 27 4.433 3.693 -8.319 190 H GLY 28 H GLY 28 7.691 3.833 -5.438 191 1HA GLY 28 1HA GLY 28 8.836 6.320 -4.391 192 2HA GLY 28 2HA GLY 28 8.325 5.135 -3.160 193 H GLU 29 H GLU 29 8.893 2.759 -4.188 194 HA GLU 29 HA GLU 29 11.822 2.708 -4.796 195 1HB GLU 29 1HB GLU 29 10.606 1.456 -2.293 196 2HB GLU 29 2HB GLU 29 12.212 1.150 -2.932 197 1HG GLU 29 1HG GLU 29 12.883 2.741 -1.510 198 2HG GLU 29 2HG GLU 29 12.412 3.849 -2.796 199 H ASP 30 H ASP 30 10.347 2.143 -6.695 200 HA ASP 30 HA ASP 30 9.286 0.781 -8.058 201 1HB ASP 30 1HB ASP 30 11.870 0.093 -7.912 202 2HB ASP 30 2HB ASP 30 11.232 -1.376 -7.233 203 H GLN 31 H GLN 31 7.966 0.829 -5.651 204 HA GLN 31 HA GLN 31 6.299 -1.513 -5.902 205 1HB GLN 31 1HB GLN 31 6.156 -1.754 -3.417 206 2HB GLN 31 2HB GLN 31 7.683 -2.305 -4.096 207 1HG GLN 31 1HG GLN 31 8.892 -0.750 -2.930 208 2HG GLN 31 2HG GLN 31 7.744 0.546 -3.193 209 1HE2 GLN 31 2HE2 GLN 31 5.599 0.236 -1.942 210 2HE2 GLN 31 1HE2 GLN 31 5.803 -0.228 -0.260 211 H TYR 32 H TYR 32 4.170 -0.902 -5.046 212 HA TYR 32 HA TYR 32 3.797 1.955 -5.354 213 1HB TYR 32 1HB TYR 32 1.970 -0.395 -5.271 214 2HB TYR 32 2HB TYR 32 1.306 1.153 -4.772 215 HD1 TYR 32 HD1 TYR 32 3.392 -0.302 -7.540 216 HD2 TYR 32 HD2 TYR 32 0.620 2.755 -6.326 217 HE1 TYR 32 HE1 TYR 32 3.646 0.801 -9.737 218 HE2 TYR 32 HE2 TYR 32 0.861 3.852 -8.530 219 HH TYR 32 HH TYR 32 3.425 2.980 -10.698 220 H TYR 33 H TYR 33 2.486 3.200 -3.861 221 HA TYR 33 HA TYR 33 2.861 2.654 -0.964 222 1HB TYR 33 1HB TYR 33 4.055 4.782 -2.766 223 2HB TYR 33 2HB TYR 33 3.470 5.281 -1.198 224 HD1 TYR 33 HD1 TYR 33 4.274 4.181 0.865 225 HD2 TYR 33 HD2 TYR 33 6.150 3.488 -2.930 226 HE1 TYR 33 HE1 TYR 33 6.224 3.139 2.027 227 HE2 TYR 33 HE2 TYR 33 8.121 2.506 -1.774 228 HH TYR 33 HH TYR 33 9.129 2.245 0.353 229 H ILE 34 H ILE 34 0.825 2.755 -0.212 230 HA ILE 34 HA ILE 34 -1.192 4.384 -1.512 231 HB ILE 34 HB ILE 34 -1.157 2.343 0.736 232 1HG1 ILE 34 1HG1 ILE 34 -2.940 2.419 -1.739 233 2HG1 ILE 34 2HG1 ILE 34 -1.366 1.640 -1.739 234 1HG2 ILE 34 1HG2 ILE 34 -3.408 4.269 0.084 235 2HG2 ILE 34 2HG2 ILE 34 -3.645 2.775 1.017 236 3HG2 ILE 34 3HG2 ILE 34 -2.599 4.025 1.645 237 1HD1 ILE 34 1HD1 ILE 34 -2.175 0.211 0.197 238 2HD1 ILE 34 2HD1 ILE 34 -3.795 0.878 -0.080 239 3HD1 ILE 34 3HD1 ILE 34 -2.995 -0.035 -1.361 240 H ASP 35 H ASP 35 -1.672 6.521 -0.586 241 HA ASP 35 HA ASP 35 -0.164 7.305 1.820 242 1HB ASP 35 1HB ASP 35 -0.900 9.054 0.095 243 2HB ASP 35 2HB ASP 35 -2.534 8.821 0.758 244 HA PRO 36 HA PRO 36 -3.456 5.021 4.010 245 1HB PRO 36 1HB PRO 36 -2.588 5.384 6.577 246 2HB PRO 36 2HB PRO 36 -1.827 4.218 5.454 247 1HG PRO 36 1HG PRO 36 -0.922 7.025 6.150 248 2HG PRO 36 2HG PRO 36 0.079 5.545 6.044 249 1HD PRO 36 1HD PRO 36 -0.103 7.381 4.036 250 2HD PRO 36 2HD PRO 36 0.047 5.638 3.694 251 H ASP 37 H ASP 37 -2.430 8.367 4.511 252 HA ASP 37 HA ASP 37 -4.643 8.984 6.331 253 1HB ASP 37 1HB ASP 37 -2.522 10.795 5.173 254 2HB ASP 37 2HB ASP 37 -3.584 11.116 6.548 255 H VAL 38 H VAL 38 -3.793 9.266 2.864 256 HA VAL 38 HA VAL 38 -6.261 10.860 2.404 257 HB VAL 38 HB VAL 38 -4.349 9.757 0.343 258 1HG1 VAL 38 1HG1 VAL 38 -6.585 11.810 0.160 259 2HG1 VAL 38 2HG1 VAL 38 -5.410 11.442 -1.118 260 3HG1 VAL 38 3HG1 VAL 38 -6.562 10.208 -0.604 261 1HG2 VAL 38 1HG2 VAL 38 -3.257 11.440 1.862 262 2HG2 VAL 38 2HG2 VAL 38 -3.498 12.066 0.229 263 3HG2 VAL 38 3HG2 VAL 38 -4.593 12.556 1.540 264 H CYS 39 H CYS 39 -5.196 7.431 2.197 265 HA CYS 39 HA CYS 39 -7.357 6.446 0.701 266 1HB CYS 39 1HB CYS 39 -5.465 5.049 1.295 267 2HB CYS 39 2HB CYS 39 -5.855 5.240 3.007 268 H ILE 40 H ILE 40 -9.471 6.148 1.072 269 HA ILE 40 HA ILE 40 -10.618 6.904 3.726 270 HB ILE 40 HB ILE 40 -12.678 7.277 2.433 271 1HG1 ILE 40 1HG1 ILE 40 -10.995 6.930 -0.095 272 2HG1 ILE 40 2HG1 ILE 40 -12.067 5.678 0.543 273 1HG2 ILE 40 1HG2 ILE 40 -10.286 8.869 2.452 274 2HG2 ILE 40 2HG2 ILE 40 -11.085 9.115 0.899 275 3HG2 ILE 40 3HG2 ILE 40 -11.973 9.387 2.406 276 1HD1 ILE 40 1HD1 ILE 40 -13.977 7.311 0.428 277 2HD1 ILE 40 2HD1 ILE 40 -12.894 8.433 -0.427 278 3HD1 ILE 40 3HD1 ILE 40 -13.279 6.854 -1.136 279 H ASP 41 H ASP 41 -9.445 4.335 3.385 280 HA ASP 41 HA ASP 41 -9.798 2.141 3.670 281 1HB ASP 41 1HB ASP 41 -11.730 3.545 5.516 282 2HB ASP 41 2HB ASP 41 -11.770 1.784 5.476 283 H CYS 42 H CYS 42 -11.109 3.037 1.283 284 HA CYS 42 HA CYS 42 -13.630 1.831 1.031 285 1HB CYS 42 1HB CYS 42 -13.537 2.413 -1.127 286 2HB CYS 42 2HB CYS 42 -12.367 3.549 -0.471 287 H GLY 43 H GLY 43 -10.508 0.315 0.984 288 1HA GLY 43 1HA GLY 43 -9.901 -1.913 0.756 289 2HA GLY 43 2HA GLY 43 -11.562 -2.347 0.316 290 H ALA 44 H ALA 44 -11.441 -3.216 -1.710 291 HA ALA 44 HA ALA 44 -11.132 -3.513 -3.905 292 1HB ALA 44 1HB ALA 44 -10.819 -0.495 -3.874 293 2HB ALA 44 2HB ALA 44 -10.676 -1.459 -5.347 294 3HB ALA 44 3HB ALA 44 -12.178 -1.499 -4.410 295 H CYS 45 H CYS 45 -8.512 -1.164 -3.162 296 HA CYS 45 HA CYS 45 -6.606 -2.168 -4.956 297 1HB CYS 45 1HB CYS 45 -4.961 -1.080 -3.603 298 2HB CYS 45 2HB CYS 45 -6.333 -0.068 -3.974 299 H GLU 46 H GLU 46 -7.028 -3.022 -1.521 300 HA GLU 46 HA GLU 46 -5.112 -5.024 -1.239 301 1HB GLU 46 1HB GLU 46 -6.549 -4.056 0.532 302 2HB GLU 46 2HB GLU 46 -7.919 -5.013 -0.045 303 1HG GLU 46 1HG GLU 46 -5.269 -6.227 0.879 304 2HG GLU 46 2HG GLU 46 -6.623 -5.906 1.967 305 H ALA 47 H ALA 47 -8.479 -5.484 -2.345 306 HA ALA 47 HA ALA 47 -8.295 -8.253 -2.727 307 1HB ALA 47 1HB ALA 47 -10.415 -7.011 -2.565 308 2HB ALA 47 2HB ALA 47 -10.124 -6.289 -4.166 309 3HB ALA 47 3HB ALA 47 -10.364 -8.039 -4.010 310 H VAL 48 H VAL 48 -7.231 -5.628 -4.912 311 HA VAL 48 HA VAL 48 -6.981 -7.590 -7.131 312 HB VAL 48 HB VAL 48 -6.231 -5.725 -8.499 313 1HG1 VAL 48 1HG1 VAL 48 -8.906 -5.404 -7.079 314 2HG1 VAL 48 2HG1 VAL 48 -8.450 -4.589 -8.589 315 3HG1 VAL 48 3HG1 VAL 48 -8.560 -6.356 -8.540 316 1HG2 VAL 48 1HG2 VAL 48 -5.317 -4.273 -6.658 317 2HG2 VAL 48 2HG2 VAL 48 -6.411 -3.442 -7.782 318 3HG2 VAL 48 3HG2 VAL 48 -7.005 -3.937 -6.192 319 H CYS 49 H CYS 49 -4.992 -6.782 -4.458 320 HA CYS 49 HA CYS 49 -2.497 -7.321 -5.959 321 1HB CYS 49 1HB CYS 49 -2.716 -5.815 -3.861 322 2HB CYS 49 2HB CYS 49 -2.835 -7.358 -2.990 323 HA PRO 50 HA PRO 50 -4.047 -11.598 -5.408 324 1HB PRO 50 1HB PRO 50 -2.500 -12.940 -7.209 325 2HB PRO 50 2HB PRO 50 -3.754 -11.777 -7.702 326 1HG PRO 50 1HG PRO 50 -0.775 -11.283 -7.448 327 2HG PRO 50 2HG PRO 50 -1.856 -10.858 -8.808 328 1HD PRO 50 1HD PRO 50 -1.153 -9.074 -6.815 329 2HD PRO 50 2HD PRO 50 -2.708 -9.021 -7.685 330 H VAL 51 H VAL 51 -2.454 -10.608 -3.437 331 HA VAL 51 HA VAL 51 -0.833 -12.754 -2.397 332 HB VAL 51 HB VAL 51 1.207 -12.050 -2.952 333 1HG1 VAL 51 1HG1 VAL 51 -0.084 -9.736 -4.462 334 2HG1 VAL 51 2HG1 VAL 51 1.623 -10.199 -4.569 335 3HG1 VAL 51 3HG1 VAL 51 0.400 -11.318 -5.141 336 1HG2 VAL 51 1HG2 VAL 51 1.215 -10.496 -1.013 337 2HG2 VAL 51 2HG2 VAL 51 2.150 -9.874 -2.366 338 3HG2 VAL 51 3HG2 VAL 51 0.520 -9.236 -2.083 339 H SER 52 H SER 52 -2.563 -9.649 -2.131 340 HA SER 52 HA SER 52 -3.061 -8.307 -0.448 341 1HB SER 52 1HB SER 52 -2.936 -10.848 1.208 342 2HB SER 52 2HB SER 52 -3.803 -9.352 1.614 343 HG SER 52 HG SER 52 -5.254 -9.735 0.088 344 H ALA 53 H ALA 53 -0.656 -7.744 -1.051 345 HA ALA 53 HA ALA 53 1.234 -7.841 1.216 346 1HB ALA 53 1HB ALA 53 1.213 -6.186 -1.350 347 2HB ALA 53 2HB ALA 53 2.548 -6.294 -0.184 348 3HB ALA 53 3HB ALA 53 2.077 -7.722 -1.122 349 H ILE 54 H ILE 54 -1.383 -5.934 -0.002 350 HA ILE 54 HA ILE 54 -0.957 -3.518 1.531 351 HB ILE 54 HB ILE 54 -3.360 -4.696 0.081 352 1HG1 ILE 54 1HG1 ILE 54 -1.604 -2.377 -0.742 353 2HG1 ILE 54 2HG1 ILE 54 -1.269 -4.030 -1.298 354 1HG2 ILE 54 1HG2 ILE 54 -2.902 -1.903 1.223 355 2HG2 ILE 54 2HG2 ILE 54 -4.301 -2.374 0.238 356 3HG2 ILE 54 3HG2 ILE 54 -4.073 -3.095 1.826 357 1HD1 ILE 54 1HD1 ILE 54 -3.463 -4.092 -2.408 358 2HD1 ILE 54 2HD1 ILE 54 -3.752 -2.403 -1.920 359 3HD1 ILE 54 3HD1 ILE 54 -2.419 -2.800 -3.010 360 H TYR 55 H TYR 55 -1.215 -3.551 3.763 361 HA TYR 55 HA TYR 55 -3.283 -5.354 4.952 362 1HB TYR 55 1HB TYR 55 -0.498 -4.645 5.895 363 2HB TYR 55 2HB TYR 55 -1.686 -5.438 6.899 364 HD1 TYR 55 HD1 TYR 55 -2.783 -7.640 5.541 365 HD2 TYR 55 HD2 TYR 55 1.202 -6.040 5.124 366 HE1 TYR 55 HE1 TYR 55 -1.992 -9.815 4.669 367 HE2 TYR 55 HE2 TYR 55 1.981 -8.217 4.250 368 HH TYR 55 HH TYR 55 -0.150 -10.267 2.909 369 H HIS 56 H HIS 56 -3.930 -4.502 7.088 370 HA HIS 56 HA HIS 56 -4.234 -1.579 7.047 371 1HB HIS 56 1HB HIS 56 -5.783 -3.661 8.040 372 2HB HIS 56 2HB HIS 56 -4.934 -3.176 9.472 373 HD1 HIS 56 HD1 HIS 56 -6.248 -1.413 10.773 374 HD2 HIS 56 HD2 HIS 56 -6.860 -1.216 6.624 375 HE1 HIS 56 HE1 HIS 56 -7.905 0.512 10.367 376 H GLU 57 H GLU 57 -3.338 -0.121 8.586 377 HA GLU 57 HA GLU 57 -0.690 -0.605 9.106 378 1HB GLU 57 1HB GLU 57 -2.495 1.213 10.798 379 2HB GLU 57 2HB GLU 57 -0.760 1.350 10.480 380 1HG GLU 57 1HG GLU 57 -1.324 1.771 8.094 381 2HG GLU 57 2HG GLU 57 -3.039 1.853 8.595 382 H ASP 58 H ASP 58 -3.446 -1.387 11.268 383 HA ASP 58 HA ASP 58 -1.667 -1.924 13.488 384 1HB ASP 58 1HB ASP 58 -3.675 -2.780 14.519 385 2HB ASP 58 2HB ASP 58 -3.994 -1.193 13.815 386 H PHE 59 H PHE 59 -2.589 -3.591 10.588 387 HA PHE 59 HA PHE 59 -2.230 -6.317 11.686 388 1HB PHE 59 1HB PHE 59 -2.885 -5.108 9.001 389 2HB PHE 59 2HB PHE 59 -2.020 -6.620 9.033 390 HD1 PHE 59 HD1 PHE 59 -4.678 -5.596 11.485 391 HD2 PHE 59 HD2 PHE 59 -3.680 -7.926 7.983 392 HE1 PHE 59 HE1 PHE 59 -6.854 -6.735 11.618 393 HE2 PHE 59 HE2 PHE 59 -5.888 -9.029 8.093 394 HZ PHE 59 HZ PHE 59 -7.481 -8.453 9.918 395 H VAL 60 H VAL 60 -0.462 -3.957 9.687 396 HA VAL 60 HA VAL 60 1.621 -5.556 8.804 397 HB VAL 60 HB VAL 60 1.578 -2.652 9.561 398 1HG1 VAL 60 1HG1 VAL 60 3.724 -4.250 8.145 399 2HG1 VAL 60 2HG1 VAL 60 3.578 -2.483 7.975 400 3HG1 VAL 60 3HG1 VAL 60 3.911 -3.197 9.558 401 1HG2 VAL 60 1HG2 VAL 60 0.049 -3.475 7.715 402 2HG2 VAL 60 2HG2 VAL 60 1.191 -2.218 7.245 403 3HG2 VAL 60 3HG2 VAL 60 1.495 -3.916 6.811 404 HA PRO 61 HA PRO 61 3.568 -6.626 12.765 405 1HB PRO 61 1HB PRO 61 5.892 -7.275 10.947 406 2HB PRO 61 2HB PRO 61 5.228 -8.243 12.291 407 1HG PRO 61 1HG PRO 61 4.641 -8.889 9.718 408 2HG PRO 61 2HG PRO 61 3.356 -8.920 10.965 409 1HD PRO 61 1HD PRO 61 3.918 -6.755 8.928 410 2HD PRO 61 2HD PRO 61 2.362 -7.483 9.441 411 H GLU 62 H GLU 62 5.096 -5.645 14.194 412 HA GLU 62 HA GLU 62 6.060 -3.144 14.150 413 1HB GLU 62 1HB GLU 62 6.743 -5.813 15.393 414 2HB GLU 62 2HB GLU 62 7.645 -4.372 15.748 415 1HG GLU 62 1HG GLU 62 5.721 -4.883 17.350 416 2HG GLU 62 2HG GLU 62 5.794 -3.236 16.714 417 H GLU 63 H GLU 63 7.866 -6.054 13.017 418 HA GLU 63 HA GLU 63 10.283 -4.913 12.276 419 1HB GLU 63 1HB GLU 63 8.683 -6.965 10.707 420 2HB GLU 63 2HB GLU 63 10.416 -6.658 10.594 421 1HG GLU 63 1HG GLU 63 10.505 -8.432 12.007 422 2HG GLU 63 2HG GLU 63 10.327 -7.183 13.240 423 H TRP 64 H TRP 64 7.172 -4.728 10.582 424 HA TRP 64 HA TRP 64 8.326 -3.064 8.402 425 1HB TRP 64 1HB TRP 64 5.906 -4.860 8.598 426 2HB TRP 64 2HB TRP 64 6.214 -3.807 7.222 427 HD1 TRP 64 HD1 TRP 64 9.529 -4.756 7.513 428 HE1 TRP 64 HE1 TRP 64 10.126 -6.848 6.132 429 HE3 TRP 64 HE3 TRP 64 4.827 -6.716 6.792 430 HZ2 TRP 64 HZ2 TRP 64 8.840 -9.121 5.095 431 HZ3 TRP 64 HZ3 TRP 64 4.565 -8.822 5.520 432 HH2 TRP 64 HH2 TRP 64 6.585 -9.953 4.547 433 H LYS 65 H LYS 65 6.983 -2.464 11.331 434 HA LYS 65 HA LYS 65 4.955 -0.536 10.715 435 1HB LYS 65 1HB LYS 65 6.343 -1.446 13.023 436 2HB LYS 65 2HB LYS 65 6.487 0.254 12.986 437 1HG LYS 65 1HG LYS 65 4.593 -0.324 14.282 438 2HG LYS 65 2HG LYS 65 3.972 0.426 12.803 439 1HD LYS 65 1HD LYS 65 3.484 -1.911 11.916 440 2HD LYS 65 2HD LYS 65 4.169 -2.569 13.390 441 1HE LYS 65 1HE LYS 65 2.368 -1.110 14.632 442 2HE LYS 65 2HE LYS 65 1.558 -1.109 13.052 443 1HZ LYS 65 1HZ LYS 65 1.800 -3.590 13.185 444 2HZ LYS 65 2HZ LYS 65 2.337 -3.393 14.734 445 3HZ LYS 65 3HZ LYS 65 0.793 -2.970 14.335 446 H SER 66 H SER 66 8.404 -0.553 10.299 447 HA SER 66 HA SER 66 9.042 2.154 9.908 448 1HB SER 66 1HB SER 66 10.648 0.914 8.199 449 2HB SER 66 2HB SER 66 10.774 0.545 9.934 450 HG SER 66 HG SER 66 10.522 -1.461 9.078 451 H TYR 67 H TYR 67 7.438 -0.251 7.714 452 HA TYR 67 HA TYR 67 7.427 1.615 5.498 453 1HB TYR 67 1HB TYR 67 5.785 -0.875 5.961 454 2HB TYR 67 2HB TYR 67 5.673 0.185 4.551 455 HD1 TYR 67 HD1 TYR 67 7.461 0.321 2.874 456 HD2 TYR 67 HD2 TYR 67 7.780 -2.345 6.243 457 HE1 TYR 67 HE1 TYR 67 9.254 -0.933 1.719 458 HE2 TYR 67 HE2 TYR 67 9.555 -3.620 5.064 459 HH TYR 67 HH TYR 67 10.766 -3.878 3.093 460 H ILE 68 H ILE 68 5.159 1.111 8.302 461 HA ILE 68 HA ILE 68 2.981 2.545 7.061 462 HB ILE 68 HB ILE 68 3.839 1.821 9.877 463 1HG1 ILE 68 1HG1 ILE 68 1.100 1.223 8.897 464 2HG1 ILE 68 2HG1 ILE 68 2.378 0.408 8.007 465 1HG2 ILE 68 1HG2 ILE 68 1.565 3.629 9.119 466 2HG2 ILE 68 2HG2 ILE 68 1.695 2.768 10.677 467 3HG2 ILE 68 3HG2 ILE 68 2.929 3.961 10.230 468 1HD1 ILE 68 1HD1 ILE 68 2.564 0.309 10.967 469 2HD1 ILE 68 2HD1 ILE 68 1.412 -0.676 10.073 470 3HD1 ILE 68 3HD1 ILE 68 3.130 -0.810 9.668 471 H GLN 69 H GLN 69 5.741 3.393 9.183 472 HA GLN 69 HA GLN 69 5.292 6.182 9.248 473 1HB GLN 69 1HB GLN 69 6.999 4.932 10.607 474 2HB GLN 69 2HB GLN 69 7.982 4.775 9.152 475 1HG GLN 69 1HG GLN 69 8.962 6.657 9.906 476 2HG GLN 69 2HG GLN 69 7.616 7.479 9.109 477 1HE2 GLN 69 2HE2 GLN 69 5.979 8.469 10.415 478 2HE2 GLN 69 1HE2 GLN 69 6.198 8.625 12.151 479 H LYS 70 H LYS 70 7.173 4.237 6.845 480 HA LYS 70 HA LYS 70 7.926 6.489 5.334 481 1HB LYS 70 1HB LYS 70 8.915 4.117 5.236 482 2HB LYS 70 2HB LYS 70 7.514 3.673 4.274 483 1HG LYS 70 1HG LYS 70 9.316 4.094 2.742 484 2HG LYS 70 2HG LYS 70 8.132 5.362 2.585 485 1HD LYS 70 1HD LYS 70 9.891 6.500 4.462 486 2HD LYS 70 2HD LYS 70 10.955 5.422 3.575 487 1HE LYS 70 1HE LYS 70 11.038 7.572 2.495 488 2HE LYS 70 2HE LYS 70 10.176 6.468 1.424 489 1HZ LYS 70 1HZ LYS 70 8.087 7.482 2.494 490 2HZ LYS 70 2HZ LYS 70 9.074 8.629 3.126 491 3HZ LYS 70 3HZ LYS 70 8.956 8.452 1.497 492 H ASN 71 H ASN 71 5.200 4.336 4.949 493 HA ASN 71 HA ASN 71 3.979 5.486 2.646 494 1HB ASN 71 1HB ASN 71 2.950 3.866 4.931 495 2HB ASN 71 2HB ASN 71 1.835 4.560 3.785 496 1HD2 ASN 71 2HD2 ASN 71 4.674 2.380 3.894 497 2HD2 ASN 71 1HD2 ASN 71 4.114 1.358 2.574 498 H ARG 72 H ARG 72 3.644 6.386 6.141 499 HA ARG 72 HA ARG 72 1.653 8.367 5.861 500 1HB ARG 72 1HB ARG 72 2.590 7.247 7.918 501 2HB ARG 72 2HB ARG 72 4.001 8.251 7.795 502 1HG ARG 72 1HG ARG 72 3.049 9.965 8.815 503 2HG ARG 72 2HG ARG 72 1.724 10.017 7.636 504 1HD ARG 72 1HD ARG 72 1.924 8.112 9.995 505 2HD ARG 72 2HD ARG 72 0.931 9.578 9.952 506 HE ARG 72 HE ARG 72 -0.116 8.567 7.823 507 1HH1 ARG 72 1HH1 ARG 72 1.186 6.220 10.089 508 2HH1 ARG 72 2HH1 ARG 72 -0.249 5.224 10.081 509 1HH2 ARG 72 1HH2 ARG 72 -2.195 7.577 8.325 510 2HH2 ARG 72 2HH2 ARG 72 -2.141 5.879 8.847 511 H ASP 73 H ASP 73 5.135 8.413 6.054 512 HA ASP 73 HA ASP 73 5.675 11.160 5.950 513 1HB ASP 73 1HB ASP 73 7.225 9.496 6.830 514 2HB ASP 73 2HB ASP 73 7.191 8.603 5.322 515 H PHE 74 H PHE 74 5.742 8.777 3.317 516 HA PHE 74 HA PHE 74 7.081 9.935 1.365 517 1HB PHE 74 1HB PHE 74 4.876 8.128 1.414 518 2HB PHE 74 2HB PHE 74 4.724 9.239 0.059 519 HD1 PHE 74 HD1 PHE 74 6.606 9.627 -1.537 520 HD2 PHE 74 HD2 PHE 74 6.376 6.235 1.109 521 HE1 PHE 74 HE1 PHE 74 8.506 8.566 -2.717 522 HE2 PHE 74 HE2 PHE 74 8.413 5.264 0.008 523 HZ PHE 74 HZ PHE 74 9.576 6.534 -1.750 524 H PHE 75 H PHE 75 3.743 10.903 1.978 525 HA PHE 75 HA PHE 75 3.954 13.118 0.020 526 1HB PHE 75 1HB PHE 75 1.474 12.127 1.325 527 2HB PHE 75 2HB PHE 75 1.653 12.917 -0.224 528 HD1 PHE 75 HD1 PHE 75 2.959 11.617 -2.081 529 HD2 PHE 75 HD2 PHE 75 1.641 9.716 1.559 530 HE1 PHE 75 HE1 PHE 75 3.451 9.386 -3.043 531 HE2 PHE 75 HE2 PHE 75 1.937 7.504 0.525 532 HZ PHE 75 HZ PHE 75 2.894 7.328 -1.756 533 H LYS 76 H LYS 76 4.583 12.899 3.253 534 HA LYS 76 HA LYS 76 3.104 15.374 4.061 535 1HB LYS 76 1HB LYS 76 4.166 12.922 5.470 536 2HB LYS 76 2HB LYS 76 3.978 14.434 6.348 537 1HG LYS 76 1HG LYS 76 2.092 12.801 6.526 538 2HG LYS 76 2HG LYS 76 1.641 14.463 6.124 539 1HD LYS 76 1HD LYS 76 1.051 13.941 3.911 540 2HD LYS 76 2HD LYS 76 1.984 12.444 3.898 541 1HE LYS 76 1HE LYS 76 -0.103 12.382 5.980 542 2HE LYS 76 2HE LYS 76 -0.774 12.647 4.367 543 1HZ LYS 76 1HZ LYS 76 1.215 10.546 4.729 544 2HZ LYS 76 2HZ LYS 76 -0.358 10.279 5.176 545 3HZ LYS 76 3HZ LYS 76 -0.024 10.692 3.626 546 H LYS 77 H LYS 77 4.831 16.531 2.593 547 HA LYS 77 HA LYS 77 6.408 17.920 4.332 548 1HB LYS 77 1HB LYS 77 8.488 17.665 3.201 549 2HB LYS 77 2HB LYS 77 8.078 16.220 4.114 550 1HG LYS 77 1HG LYS 77 7.572 16.459 1.116 551 2HG LYS 77 2HG LYS 77 9.176 16.065 1.714 552 1HD LYS 77 1HD LYS 77 6.669 14.409 2.227 553 2HD LYS 77 2HD LYS 77 7.903 14.091 1.024 554 1HE LYS 77 1HE LYS 77 8.707 12.694 2.632 555 2HE LYS 77 2HE LYS 77 9.578 14.152 3.121 556 1HZ LYS 77 1HZ LYS 77 7.659 14.449 4.775 557 2HZ LYS 77 2HZ LYS 77 7.101 13.037 4.222 558 3HZ LYS 77 3HZ LYS 77 8.509 13.008 4.980
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