NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630185 | 6cpi | 30436 | cing | 1-original | 1 | MR format | nomenclature mapping |
final.upl Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 553 H MET 553 3.077 -2.931 -13.657 2 HA MET 553 HA MET 553 5.491 -1.351 -13.140 3 HB2 MET 553 1HB MET 553 4.949 -2.648 -15.357 4 HB3 MET 553 2HB MET 553 3.962 -1.236 -15.712 5 HG2 MET 553 1HG MET 553 6.054 -0.870 -16.729 6 HG3 MET 553 2HG MET 553 6.001 0.166 -15.305 7 HE1 MET 553 1HE MET 553 7.574 -2.679 -17.175 8 HE2 MET 553 2HE MET 553 8.717 -3.431 -16.061 9 HE3 MET 553 3HE MET 553 6.988 -3.740 -15.895 10 H VAL 554 H VAL 554 4.370 -0.066 -11.520 11 HA VAL 554 HA VAL 554 3.239 1.771 -10.785 12 HB VAL 554 HB VAL 554 3.670 2.730 -13.618 13 HG11 VAL 554 1HG1 VAL 554 2.737 4.039 -11.117 14 HG12 VAL 554 2HG1 VAL 554 3.772 4.962 -12.209 15 HG13 VAL 554 3HG1 VAL 554 2.240 4.308 -12.788 16 HG21 VAL 554 1HG2 VAL 554 5.516 2.216 -11.463 17 HG22 VAL 554 2HG2 VAL 554 5.842 2.689 -13.131 18 HG23 VAL 554 3HG2 VAL 554 5.525 3.923 -11.910 19 HA PRO 555 HA PRO 555 -0.741 0.305 -12.679 20 HB2 PRO 555 1HB PRO 555 -1.913 -0.308 -10.309 21 HB3 PRO 555 2HB PRO 555 -0.887 -1.443 -11.196 22 HG2 PRO 555 1HG PRO 555 -0.202 0.305 -8.865 23 HG3 PRO 555 2HG PRO 555 0.235 -1.386 -9.162 24 HD2 PRO 555 1HD PRO 555 1.950 0.661 -9.609 25 HD3 PRO 555 2HD PRO 555 1.961 -0.823 -10.582 26 H GLY 556 H GLY 556 -2.903 1.193 -12.374 27 HA2 GLY 556 1HA GLY 556 -2.784 3.909 -11.230 28 HA3 GLY 556 2HA GLY 556 -3.817 3.429 -12.568 29 H ARG 557 H ARG 557 -4.990 1.148 -11.627 30 HA ARG 557 HA ARG 557 -7.125 2.071 -10.142 31 HB2 ARG 557 1HB ARG 557 -7.507 -0.402 -9.607 32 HB3 ARG 557 2HB ARG 557 -7.442 0.052 -11.305 33 HG2 ARG 557 1HG ARG 557 -5.425 -0.985 -11.651 34 HG3 ARG 557 2HG ARG 557 -4.951 -0.863 -9.955 35 HD2 ARG 557 1HD ARG 557 -6.285 -2.668 -9.327 36 HD3 ARG 557 2HD ARG 557 -7.274 -2.563 -10.783 37 HE ARG 557 HE ARG 557 -4.849 -4.026 -10.464 38 HH11 ARG 557 1HH1 ARG 557 -6.138 -3.104 -14.141 39 HH12 ARG 557 2HH1 ARG 557 -6.764 -2.253 -12.768 40 HH21 ARG 557 1HH2 ARG 557 -4.577 -4.755 -13.852 41 HH22 ARG 557 2HH2 ARG 557 -4.017 -5.155 -12.263 42 H SER 558 H SER 558 -7.431 2.561 -8.072 43 HA SER 558 HA SER 558 -5.297 2.303 -6.185 44 HB2 SER 558 1HB SER 558 -6.998 3.298 -4.591 45 HB3 SER 558 2HB SER 558 -6.652 4.266 -6.025 46 HG SER 558 HG SER 558 -8.995 3.378 -5.204 47 H PHE 559 H PHE 559 -4.970 0.795 -4.672 48 HA PHE 559 HA PHE 559 -6.902 -1.401 -4.500 49 HB2 PHE 559 1HB PHE 559 -3.965 -1.171 -3.911 50 HB3 PHE 559 2HB PHE 559 -4.911 -2.498 -3.244 51 HD1 PHE 559 1HD PHE 559 -5.016 -4.452 -4.440 52 HD2 PHE 559 2HD PHE 559 -4.312 -0.800 -6.512 53 HE1 PHE 559 1HE PHE 559 -4.749 -5.700 -6.543 54 HE2 PHE 559 2HE PHE 559 -4.045 -2.042 -8.618 55 HZ PHE 559 HZ PHE 559 -4.264 -4.496 -8.638 56 H MET 560 H MET 560 -7.686 -2.167 -2.537 57 HA MET 560 HA MET 560 -7.627 -0.199 -0.373 58 HB2 MET 560 1HB MET 560 -9.829 -0.894 -1.208 59 HB3 MET 560 2HB MET 560 -9.456 -2.566 -0.814 60 HG2 MET 560 1HG MET 560 -9.055 -1.480 1.584 61 HG3 MET 560 2HG MET 560 -10.219 -0.320 0.947 62 HE1 MET 560 1HE MET 560 -9.237 -3.626 1.972 63 HE2 MET 560 2HE MET 560 -10.535 -3.732 3.162 64 HE3 MET 560 3HE MET 560 -10.589 -4.728 1.707 65 H ALA 561 H ALA 561 -6.828 -0.620 1.619 66 HA ALA 561 HA ALA 561 -5.145 -2.938 1.923 67 HB1 ALA 561 1HB ALA 561 -5.281 -1.555 4.365 68 HB2 ALA 561 2HB ALA 561 -4.002 -1.489 3.151 69 HB3 ALA 561 3HB ALA 561 -5.333 -0.333 3.093 70 H VAL 562 H VAL 562 -5.650 -4.789 2.897 71 HA VAL 562 HA VAL 562 -8.261 -5.056 4.154 72 HB VAL 562 HB VAL 562 -7.711 -7.492 4.207 73 HG11 VAL 562 1HG1 VAL 562 -7.619 -7.672 1.616 74 HG12 VAL 562 2HG1 VAL 562 -9.012 -6.908 2.384 75 HG13 VAL 562 3HG1 VAL 562 -7.742 -5.914 1.667 76 HG21 VAL 562 1HG2 VAL 562 -5.750 -8.368 3.362 77 HG22 VAL 562 2HG2 VAL 562 -5.386 -6.924 2.418 78 HG23 VAL 562 3HG2 VAL 562 -5.168 -6.912 4.168 79 H LYS 563 H LYS 563 -5.116 -4.420 5.118 80 HA LYS 563 HA LYS 563 -5.802 -4.755 7.895 81 HB2 LYS 563 1HB LYS 563 -3.798 -6.152 8.409 82 HB3 LYS 563 2HB LYS 563 -5.033 -6.996 7.486 83 HG2 LYS 563 1HG LYS 563 -3.472 -6.024 5.495 84 HG3 LYS 563 2HG LYS 563 -2.279 -6.301 6.765 85 HD2 LYS 563 1HD LYS 563 -4.287 -8.357 5.851 86 HD3 LYS 563 2HD LYS 563 -2.634 -8.248 5.243 87 HE2 LYS 563 1HE LYS 563 -2.904 -8.295 8.174 88 HE3 LYS 563 2HE LYS 563 -3.393 -9.773 7.348 89 HZ1 LYS 563 1HZ LYS 563 -1.236 -10.271 7.387 90 HZ2 LYS 563 2HZ LYS 563 -0.765 -8.688 7.749 91 HZ3 LYS 563 3HZ LYS 563 -1.052 -9.138 6.144 92 H SER 564 H SER 564 -4.345 -3.680 9.315 93 HA SER 564 HA SER 564 -3.027 -1.442 8.075 94 HB2 SER 564 1HB SER 564 -2.678 -0.638 10.352 95 HB3 SER 564 2HB SER 564 -4.340 -1.197 10.165 96 HG SER 564 HG SER 564 -2.936 -1.898 12.078 97 H TYR 565 H TYR 565 -0.816 -0.788 8.697 98 HA TYR 565 HA TYR 565 0.974 -3.012 9.338 99 HB2 TYR 565 1HB TYR 565 0.852 -2.940 6.885 100 HB3 TYR 565 2HB TYR 565 1.303 -1.239 6.907 101 HD1 TYR 565 1HD TYR 565 2.528 -4.627 7.829 102 HD2 TYR 565 2HD TYR 565 3.559 -0.611 6.876 103 HE1 TYR 565 1HE TYR 565 4.903 -5.264 7.740 104 HE2 TYR 565 2HE TYR 565 5.935 -1.237 6.783 105 HH TYR 565 HH TYR 565 6.976 -4.588 7.332 106 H GLN 566 H GLN 566 2.928 -2.405 10.269 107 HA GLN 566 HA GLN 566 3.082 0.425 11.066 108 HB2 GLN 566 1HB GLN 566 2.689 -1.277 12.880 109 HB3 GLN 566 2HB GLN 566 4.276 -1.938 12.517 110 HG2 GLN 566 1HG GLN 566 5.271 0.261 13.044 111 HG3 GLN 566 2HG GLN 566 3.671 0.835 13.510 112 HE21 GLN 566 1HE2 GLN 566 5.349 -0.147 16.595 113 HE22 GLN 566 2HE2 GLN 566 5.522 1.054 15.366 114 H ALA 567 H ALA 567 4.562 1.473 9.919 115 HA ALA 567 HA ALA 567 6.578 0.410 8.369 116 HB1 ALA 567 1HB ALA 567 5.741 2.773 8.342 117 HB2 ALA 567 2HB ALA 567 6.757 3.080 9.751 118 HB3 ALA 567 3HB ALA 567 7.494 2.603 8.222 119 H GLN 568 H GLN 568 8.620 -0.286 8.687 120 HA GLN 568 HA GLN 568 9.690 -0.139 11.428 121 HB2 GLN 568 1HB GLN 568 10.256 -2.372 9.484 122 HB3 GLN 568 2HB GLN 568 10.600 -2.325 11.207 123 HG2 GLN 568 1HG GLN 568 8.029 -2.117 11.458 124 HG3 GLN 568 2HG GLN 568 7.997 -2.745 9.811 125 HE21 GLN 568 1HE2 GLN 568 7.689 -5.697 11.855 126 HE22 GLN 568 2HE2 GLN 568 6.757 -4.340 11.332 127 H ALA 569 H ALA 569 10.362 -0.002 7.997 128 HA ALA 569 HA ALA 569 13.195 0.440 8.383 129 HB1 ALA 569 1HB ALA 569 11.917 -0.670 6.359 130 HB2 ALA 569 2HB ALA 569 11.871 0.997 5.781 131 HB3 ALA 569 3HB ALA 569 13.418 0.223 6.122 132 H GLU 570 H GLU 570 13.835 2.392 6.611 133 HA GLU 570 HA GLU 570 13.003 4.773 8.051 134 HB2 GLU 570 1HB GLU 570 14.932 5.764 7.312 135 HB3 GLU 570 2HB GLU 570 15.421 4.076 7.246 136 HG2 GLU 570 1HG GLU 570 14.796 4.059 4.836 137 HG3 GLU 570 2HG GLU 570 14.520 5.797 4.951 138 H GLY 571 H GLY 571 12.641 3.313 4.894 139 HA2 GLY 571 1HA GLY 571 11.182 5.693 3.955 140 HA3 GLY 571 2HA GLY 571 11.844 4.435 2.922 141 H GLU 572 H GLU 572 10.424 3.030 5.592 142 HA GLU 572 HA GLU 572 8.166 2.151 3.995 143 HB2 GLU 572 1HB GLU 572 9.607 1.182 6.361 144 HB3 GLU 572 2HB GLU 572 7.867 0.949 6.441 145 HG2 GLU 572 1HG GLU 572 8.648 -1.014 5.490 146 HG3 GLU 572 2HG GLU 572 8.085 -0.076 4.110 147 H ILE 573 H ILE 573 5.987 2.289 4.664 148 HA ILE 573 HA ILE 573 5.445 4.376 6.674 149 HB ILE 573 HB ILE 573 3.462 5.024 5.292 150 HG12 ILE 573 1HG1 ILE 573 4.717 3.840 2.878 151 HG13 ILE 573 2HG1 ILE 573 3.861 2.726 3.940 152 HG21 ILE 573 1HG2 ILE 573 4.835 6.241 3.557 153 HG22 ILE 573 2HG2 ILE 573 5.340 6.460 5.232 154 HG23 ILE 573 3HG2 ILE 573 6.235 5.366 4.178 155 HD11 ILE 573 1HD1 ILE 573 2.818 4.587 2.030 156 HD12 ILE 573 2HD1 ILE 573 1.988 3.317 2.930 157 HD13 ILE 573 3HD1 ILE 573 2.167 4.925 3.634 158 H SER 574 H SER 574 3.169 4.307 7.491 159 HA SER 574 HA SER 574 2.515 1.570 8.195 160 HB2 SER 574 1HB SER 574 1.366 2.437 10.002 161 HB3 SER 574 2HB SER 574 2.545 3.720 9.732 162 HG SER 574 HG SER 574 -0.162 3.787 9.521 163 H LEU 575 H LEU 575 0.006 1.200 8.441 164 HA LEU 575 HA LEU 575 -1.415 2.181 6.077 165 HB2 LEU 575 1HB LEU 575 -0.541 -0.582 6.601 166 HB3 LEU 575 2HB LEU 575 -2.220 -0.403 6.091 167 HG LEU 575 HG LEU 575 -1.115 1.043 4.174 168 HD11 LEU 575 1HD1 LEU 575 1.159 0.709 5.269 169 HD12 LEU 575 2HD1 LEU 575 1.045 0.395 3.537 170 HD13 LEU 575 3HD1 LEU 575 1.073 -0.951 4.675 171 HD21 LEU 575 1HD2 LEU 575 -0.623 -1.590 3.318 172 HD22 LEU 575 2HD2 LEU 575 -2.075 -0.621 3.064 173 HD23 LEU 575 3HD2 LEU 575 -1.953 -1.677 4.473 174 H SER 576 H SER 576 -3.761 1.343 6.133 175 HA SER 576 HA SER 576 -4.756 1.019 8.862 176 HB2 SER 576 1HB SER 576 -5.154 3.395 7.138 177 HB3 SER 576 2HB SER 576 -6.591 2.788 7.961 178 HG SER 576 HG SER 576 -5.190 4.386 9.101 179 H LYS 577 H LYS 577 -6.169 -0.588 8.902 180 HA LYS 577 HA LYS 577 -7.043 -2.013 6.698 181 HB2 LYS 577 1HB LYS 577 -7.122 -2.530 9.277 182 HB3 LYS 577 2HB LYS 577 -8.756 -1.894 9.149 183 HG2 LYS 577 1HG LYS 577 -7.891 -3.978 7.213 184 HG3 LYS 577 2HG LYS 577 -8.253 -4.459 8.872 185 HD2 LYS 577 1HD LYS 577 -10.383 -2.877 8.326 186 HD3 LYS 577 2HD LYS 577 -10.051 -3.544 6.726 187 HE2 LYS 577 1HE LYS 577 -11.492 -5.117 7.598 188 HE3 LYS 577 2HE LYS 577 -9.923 -5.811 7.999 189 HZ1 LYS 577 1HZ LYS 577 -11.979 -5.239 9.742 190 HZ2 LYS 577 2HZ LYS 577 -10.804 -4.062 10.051 191 HZ3 LYS 577 3HZ LYS 577 -10.403 -5.703 10.147 192 H GLY 578 H GLY 578 -8.471 -1.598 5.147 193 HA2 GLY 578 1HA GLY 578 -10.568 -0.976 4.286 194 HA3 GLY 578 2HA GLY 578 -10.879 -0.067 5.757 195 H GLU 579 H GLU 579 -7.882 0.852 5.030 196 HA GLU 579 HA GLU 579 -8.772 3.339 3.870 197 HB2 GLU 579 1HB GLU 579 -6.878 2.865 5.657 198 HB3 GLU 579 2HB GLU 579 -5.880 2.688 4.221 199 HG2 GLU 579 1HG GLU 579 -5.796 4.950 5.160 200 HG3 GLU 579 2HG GLU 579 -6.423 4.925 3.513 201 H LYS 580 H LYS 580 -8.478 4.051 1.828 202 HA LYS 580 HA LYS 580 -7.813 2.114 -0.189 203 HB2 LYS 580 1HB LYS 580 -9.577 4.060 -0.236 204 HB3 LYS 580 2HB LYS 580 -8.212 5.021 -0.785 205 HG2 LYS 580 1HG LYS 580 -9.367 4.270 -2.711 206 HG3 LYS 580 2HG LYS 580 -7.872 3.340 -2.608 207 HD2 LYS 580 1HD LYS 580 -9.696 1.866 -3.182 208 HD3 LYS 580 2HD LYS 580 -9.137 1.496 -1.549 209 HE2 LYS 580 1HE LYS 580 -11.060 2.215 -0.584 210 HE3 LYS 580 2HE LYS 580 -11.320 3.477 -1.787 211 HZ1 LYS 580 1HZ LYS 580 -12.074 0.639 -1.881 212 HZ2 LYS 580 2HZ LYS 580 -11.767 1.453 -3.331 213 HZ3 LYS 580 3HZ LYS 580 -12.983 2.007 -2.293 214 H ILE 581 H ILE 581 -5.713 1.619 -0.404 215 HA ILE 581 HA ILE 581 -3.678 3.684 -0.187 216 HB ILE 581 HB ILE 581 -3.112 0.839 -0.945 217 HG12 ILE 581 1HG1 ILE 581 -4.579 0.609 0.949 218 HG13 ILE 581 2HG1 ILE 581 -2.931 0.350 1.509 219 HG21 ILE 581 1HG2 ILE 581 -1.128 1.970 -0.991 220 HG22 ILE 581 2HG2 ILE 581 -1.632 3.127 0.241 221 HG23 ILE 581 3HG2 ILE 581 -1.158 1.492 0.707 222 HD11 ILE 581 1HD1 ILE 581 -4.874 2.283 2.362 223 HD12 ILE 581 2HD1 ILE 581 -3.326 1.845 3.088 224 HD13 ILE 581 3HD1 ILE 581 -3.394 3.079 1.829 225 H LYS 582 H LYS 582 -2.915 4.769 -1.868 226 HA LYS 582 HA LYS 582 -3.501 3.794 -4.569 227 HB2 LYS 582 1HB LYS 582 -4.274 6.032 -4.166 228 HB3 LYS 582 2HB LYS 582 -2.709 6.515 -3.525 229 HG2 LYS 582 1HG LYS 582 -3.141 7.345 -5.812 230 HG3 LYS 582 2HG LYS 582 -1.696 6.337 -5.690 231 HD2 LYS 582 1HD LYS 582 -2.712 4.541 -6.774 232 HD3 LYS 582 2HD LYS 582 -4.338 5.150 -6.465 233 HE2 LYS 582 1HE LYS 582 -2.348 6.524 -8.261 234 HE3 LYS 582 2HE LYS 582 -3.550 5.371 -8.836 235 HZ1 LYS 582 1HZ LYS 582 -4.626 7.354 -9.139 236 HZ2 LYS 582 2HZ LYS 582 -3.937 8.083 -7.778 237 HZ3 LYS 582 3HZ LYS 582 -5.177 6.948 -7.591 238 H VAL 583 H VAL 583 -1.913 2.415 -5.159 239 HA VAL 583 HA VAL 583 0.790 2.598 -4.416 240 HB VAL 583 HB VAL 583 -0.502 1.212 -6.766 241 HG11 VAL 583 1HG1 VAL 583 1.800 1.622 -7.336 242 HG12 VAL 583 2HG1 VAL 583 2.336 1.038 -5.760 243 HG13 VAL 583 3HG1 VAL 583 1.610 -0.079 -6.916 244 HG21 VAL 583 1HG2 VAL 583 -0.980 -0.441 -5.356 245 HG22 VAL 583 2HG2 VAL 583 0.664 -0.459 -4.719 246 HG23 VAL 583 3HG2 VAL 583 -0.532 0.643 -4.039 247 H LEU 584 H LEU 584 2.513 3.626 -5.265 248 HA LEU 584 HA LEU 584 2.074 5.229 -7.699 249 HB2 LEU 584 1HB LEU 584 3.751 5.929 -5.293 250 HB3 LEU 584 2HB LEU 584 3.617 6.893 -6.761 251 HG LEU 584 HG LEU 584 1.377 6.323 -4.819 252 HD11 LEU 584 1HD1 LEU 584 2.480 9.036 -5.316 253 HD12 LEU 584 2HD1 LEU 584 3.385 7.944 -4.267 254 HD13 LEU 584 3HD1 LEU 584 1.720 8.368 -3.872 255 HD21 LEU 584 1HD2 LEU 584 0.045 6.861 -6.517 256 HD22 LEU 584 2HD2 LEU 584 1.413 7.291 -7.544 257 HD23 LEU 584 3HD2 LEU 584 0.729 8.485 -6.438 258 H SER 585 H SER 585 4.277 3.250 -5.831 259 HA SER 585 HA SER 585 5.926 2.914 -8.235 260 HB2 SER 585 1HB SER 585 6.760 4.124 -5.733 261 HB3 SER 585 2HB SER 585 7.724 2.694 -6.104 262 HG SER 585 HG SER 585 7.253 4.864 -7.874 263 H ILE 586 H ILE 586 7.408 0.985 -8.007 264 HA ILE 586 HA ILE 586 6.470 -1.064 -6.166 265 HB ILE 586 HB ILE 586 6.045 -2.709 -7.917 266 HG12 ILE 586 1HG1 ILE 586 6.323 -0.420 -9.877 267 HG13 ILE 586 2HG1 ILE 586 7.547 -1.658 -9.621 268 HG21 ILE 586 1HG2 ILE 586 3.897 -1.964 -8.557 269 HG22 ILE 586 2HG2 ILE 586 4.240 -1.194 -7.008 270 HG23 ILE 586 3HG2 ILE 586 4.387 -0.271 -8.503 271 HD11 ILE 586 1HD1 ILE 586 5.569 -3.283 -10.165 272 HD12 ILE 586 2HD1 ILE 586 4.902 -1.853 -10.955 273 HD13 ILE 586 3HD1 ILE 586 6.472 -2.485 -11.453 274 H GLY 587 H GLY 587 7.793 -3.068 -6.324 275 HA2 GLY 587 1HA GLY 587 10.434 -2.626 -7.536 276 HA3 GLY 587 2HA GLY 587 10.337 -2.960 -5.813 277 H GLU 588 H GLU 588 10.512 -5.014 -5.209 278 HA GLU 588 HA GLU 588 9.858 -7.103 -7.181 279 HB2 GLU 588 1HB GLU 588 12.351 -6.680 -6.731 280 HB3 GLU 588 2HB GLU 588 12.057 -7.378 -5.143 281 HG2 GLU 588 1HG GLU 588 12.963 -8.977 -6.802 282 HG3 GLU 588 2HG GLU 588 11.422 -9.468 -6.098 283 H GLY 589 H GLY 589 9.482 -9.268 -6.153 284 HA2 GLY 589 1HA GLY 589 8.193 -10.560 -4.762 285 HA3 GLY 589 2HA GLY 589 8.963 -9.669 -3.457 286 H GLY 590 H GLY 590 7.093 -9.662 -2.190 287 HA2 GLY 590 1HA GLY 590 4.702 -8.388 -3.278 288 HA3 GLY 590 2HA GLY 590 4.840 -9.176 -1.713 289 H PHE 591 H PHE 591 7.013 -6.714 -2.990 290 HA PHE 591 HA PHE 591 6.002 -4.853 -0.942 291 HB2 PHE 591 1HB PHE 591 8.561 -6.046 -1.063 292 HB3 PHE 591 2HB PHE 591 8.774 -4.361 -1.526 293 HD1 PHE 591 1HD PHE 591 7.743 -6.635 1.152 294 HD2 PHE 591 2HD PHE 591 8.420 -2.582 0.046 295 HE1 PHE 591 1HE PHE 591 7.666 -5.980 3.522 296 HE2 PHE 591 2HE PHE 591 8.347 -1.920 2.413 297 HZ PHE 591 HZ PHE 591 7.970 -3.620 4.155 298 H TRP 592 H TRP 592 5.741 -2.755 -1.535 299 HA TRP 592 HA TRP 592 6.930 -1.668 -3.910 300 HB2 TRP 592 1HB TRP 592 4.809 -1.219 -5.090 301 HB3 TRP 592 2HB TRP 592 5.130 -2.945 -4.946 302 HD1 TRP 592 HD TRP 592 3.978 -2.086 -1.656 303 HE1 TRP 592 1HE TRP 592 1.452 -2.494 -1.374 304 HE3 TRP 592 3HE TRP 592 2.671 -2.505 -6.579 305 HZ2 TRP 592 2HZ TRP 592 -0.796 -2.937 -3.022 306 HZ3 TRP 592 3HZ TRP 592 0.312 -2.922 -7.143 307 HH2 TRP 592 HH TRP 592 -1.385 -3.134 -5.399 308 H GLU 593 H GLU 593 5.997 0.587 -4.349 309 HA GLU 593 HA GLU 593 5.636 1.899 -1.755 310 HB2 GLU 593 1HB GLU 593 7.140 2.512 -4.110 311 HB3 GLU 593 2HB GLU 593 5.984 3.806 -3.827 312 HG2 GLU 593 1HG GLU 593 7.333 2.987 -1.395 313 HG3 GLU 593 2HG GLU 593 8.458 3.522 -2.645 314 H GLY 594 H GLY 594 3.974 3.344 -1.349 315 HA2 GLY 594 1HA GLY 594 2.024 3.961 -3.393 316 HA3 GLY 594 2HA GLY 594 1.449 2.836 -2.172 317 H GLN 595 H GLN 595 -0.111 4.729 -1.982 318 HA GLN 595 HA GLN 595 0.898 6.522 0.115 319 HB2 GLN 595 1HB GLN 595 0.778 7.942 -1.777 320 HB3 GLN 595 2HB GLN 595 -0.754 7.253 -2.294 321 HG2 GLN 595 1HG GLN 595 -1.961 8.390 -0.671 322 HG3 GLN 595 2HG GLN 595 -0.531 8.696 0.313 323 HE21 GLN 595 1HE2 GLN 595 -1.039 11.938 -1.031 324 HE22 GLN 595 2HE2 GLN 595 -1.485 10.891 0.267 325 H VAL 596 H VAL 596 -0.396 6.749 1.859 326 HA VAL 596 HA VAL 596 -3.133 5.681 1.709 327 HB VAL 596 HB VAL 596 -1.798 3.930 2.714 328 HG11 VAL 596 1HG1 VAL 596 -1.012 5.119 5.178 329 HG12 VAL 596 2HG1 VAL 596 -0.001 4.376 3.937 330 HG13 VAL 596 3HG1 VAL 596 -0.375 6.097 3.855 331 HG21 VAL 596 1HG2 VAL 596 -3.019 4.977 5.172 332 HG22 VAL 596 2HG2 VAL 596 -4.079 4.959 3.763 333 HG23 VAL 596 3HG2 VAL 596 -3.315 3.468 4.311 334 H LYS 597 H LYS 597 -4.453 7.307 2.163 335 HA LYS 597 HA LYS 597 -5.155 9.362 2.938 336 HB2 LYS 597 1HB LYS 597 -5.255 9.343 5.488 337 HB3 LYS 597 2HB LYS 597 -6.047 8.013 4.653 338 HG2 LYS 597 1HG LYS 597 -4.937 6.933 6.353 339 HG3 LYS 597 2HG LYS 597 -3.799 6.777 5.012 340 HD2 LYS 597 1HD LYS 597 -2.621 7.422 7.030 341 HD3 LYS 597 2HD LYS 597 -2.571 8.738 5.855 342 HE2 LYS 597 1HE LYS 597 -3.329 10.062 7.479 343 HE3 LYS 597 2HE LYS 597 -4.872 9.224 7.321 344 HZ1 LYS 597 1HZ LYS 597 -2.994 9.154 9.461 345 HZ2 LYS 597 2HZ LYS 597 -3.341 7.594 8.905 346 HZ3 LYS 597 3HZ LYS 597 -4.595 8.607 9.420 347 H GLY 598 H GLY 598 -2.425 9.456 2.113 348 HA2 GLY 598 1HA GLY 598 -1.232 11.600 2.259 349 HA3 GLY 598 2HA GLY 598 -1.412 11.489 4.004 350 H ARG 599 H ARG 599 -0.613 9.026 4.648 351 HA ARG 599 HA ARG 599 2.170 9.171 4.595 352 HB2 ARG 599 1HB ARG 599 0.165 7.164 5.431 353 HB3 ARG 599 2HB ARG 599 1.777 6.543 5.104 354 HG2 ARG 599 1HG ARG 599 2.370 8.689 6.638 355 HG3 ARG 599 2HG ARG 599 0.806 8.221 7.306 356 HD2 ARG 599 1HD ARG 599 1.569 6.101 7.917 357 HD3 ARG 599 2HD ARG 599 2.960 6.192 6.838 358 HE ARG 599 HE ARG 599 4.129 7.193 8.519 359 HH11 ARG 599 1HH1 ARG 599 0.966 8.240 10.739 360 HH12 ARG 599 2HH1 ARG 599 0.727 7.526 9.177 361 HH21 ARG 599 1HH2 ARG 599 3.088 8.585 11.530 362 HH22 ARG 599 2HH2 ARG 599 4.456 8.133 10.571 363 H VAL 600 H VAL 600 3.301 9.153 2.751 364 HA VAL 600 HA VAL 600 2.726 7.027 0.790 365 HB VAL 600 HB VAL 600 4.176 9.618 0.242 366 HG11 VAL 600 1HG1 VAL 600 4.714 7.780 -1.276 367 HG12 VAL 600 2HG1 VAL 600 2.997 7.547 -1.609 368 HG13 VAL 600 3HG1 VAL 600 3.797 9.042 -2.099 369 HG21 VAL 600 1HG2 VAL 600 2.212 10.654 0.218 370 HG22 VAL 600 2HG2 VAL 600 1.690 9.576 -1.077 371 HG23 VAL 600 3HG2 VAL 600 1.374 9.150 0.605 372 H GLY 601 H GLY 601 4.169 5.441 0.736 373 HA2 GLY 601 1HA GLY 601 6.961 5.877 0.575 374 HA3 GLY 601 2HA GLY 601 6.534 5.363 2.201 375 H TRP 602 H TRP 602 7.671 3.421 2.005 376 HA TRP 602 HA TRP 602 6.715 1.530 -0.022 377 HB2 TRP 602 1HB TRP 602 9.090 1.352 1.846 378 HB3 TRP 602 2HB TRP 602 8.671 0.169 0.610 379 HD1 TRP 602 HD TRP 602 9.331 4.008 0.635 380 HE1 TRP 602 1HE TRP 602 10.775 4.565 -1.421 381 HE3 TRP 602 3HE TRP 602 9.724 -0.676 -1.376 382 HZ2 TRP 602 2HZ TRP 602 11.927 3.200 -3.607 383 HZ3 TRP 602 3HZ TRP 602 11.015 -0.964 -3.451 384 HH2 TRP 602 HH TRP 602 12.092 0.936 -4.542 385 H PHE 603 H PHE 603 6.030 -0.573 0.552 386 HA PHE 603 HA PHE 603 5.797 -1.516 3.189 387 HB2 PHE 603 1HB PHE 603 3.438 -1.208 3.631 388 HB3 PHE 603 2HB PHE 603 4.176 0.367 3.355 389 HD1 PHE 603 1HD PHE 603 3.596 1.695 1.447 390 HD2 PHE 603 2HD PHE 603 1.937 -2.188 1.978 391 HE1 PHE 603 1HE PHE 603 1.925 2.176 -0.294 392 HE2 PHE 603 2HE PHE 603 0.264 -1.715 0.238 393 HZ PHE 603 HZ PHE 603 0.256 0.469 -0.901 394 HA PRO 604 HA PRO 604 4.883 -5.225 1.031 395 HB2 PRO 604 1HB PRO 604 3.480 -6.612 2.895 396 HB3 PRO 604 2HB PRO 604 5.220 -6.331 3.016 397 HG2 PRO 604 1HG PRO 604 2.971 -4.880 4.357 398 HG3 PRO 604 2HG PRO 604 4.522 -5.412 5.035 399 HD2 PRO 604 1HD PRO 604 4.065 -2.854 4.273 400 HD3 PRO 604 2HD PRO 604 5.665 -3.615 4.156 401 H SER 605 H SER 605 3.450 -5.697 -0.507 402 HA SER 605 HA SER 605 0.893 -4.448 -0.602 403 HB2 SER 605 1HB SER 605 0.893 -5.065 -2.781 404 HB3 SER 605 2HB SER 605 2.580 -5.483 -2.484 405 HG SER 605 HG SER 605 0.321 -7.174 -2.563 406 H ASP 606 H ASP 606 1.979 -7.176 0.991 407 HA ASP 606 HA ASP 606 -0.070 -9.034 0.683 408 HB2 ASP 606 1HB ASP 606 2.157 -9.221 1.985 409 HB3 ASP 606 2HB ASP 606 1.257 -8.541 3.338 410 H CYS 607 H CYS 607 0.059 -6.080 2.547 411 HA CYS 607 HA CYS 607 -2.441 -6.658 3.906 412 HB2 CYS 607 1HB CYS 607 -0.927 -4.049 3.940 413 HB3 CYS 607 2HB CYS 607 -2.081 -4.646 5.126 414 HG CYS 607 HG CYS 607 -0.324 -5.664 6.681 415 H LEU 608 H LEU 608 -1.841 -5.923 0.869 416 HA LEU 608 HA LEU 608 -4.048 -3.987 0.632 417 HB2 LEU 608 1HB LEU 608 -1.477 -4.259 -0.737 418 HB3 LEU 608 2HB LEU 608 -2.842 -4.025 -1.825 419 HG LEU 608 HG LEU 608 -1.569 -1.950 -1.111 420 HD11 LEU 608 1HD1 LEU 608 -4.416 -2.427 -1.319 421 HD12 LEU 608 2HD1 LEU 608 -3.437 -1.120 -1.983 422 HD13 LEU 608 3HD1 LEU 608 -4.054 -1.010 -0.334 423 HD21 LEU 608 1HD2 LEU 608 -1.801 -2.940 1.393 424 HD22 LEU 608 2HD2 LEU 608 -3.170 -1.828 1.356 425 HD23 LEU 608 3HD2 LEU 608 -1.541 -1.235 1.024 426 H GLU 609 H GLU 609 -5.501 -4.259 -1.183 427 HA GLU 609 HA GLU 609 -5.526 -6.787 -2.574 428 HB2 GLU 609 1HB GLU 609 -7.291 -6.246 -0.251 429 HB3 GLU 609 2HB GLU 609 -8.046 -6.983 -1.658 430 HG2 GLU 609 1HG GLU 609 -5.712 -8.057 -0.095 431 HG3 GLU 609 2HG GLU 609 -7.355 -8.696 -0.125 432 H GLU 610 H GLU 610 -6.890 -6.800 -4.365 433 HA GLU 610 HA GLU 610 -7.335 -4.421 -5.680 434 HB2 GLU 610 1HB GLU 610 -8.242 -7.209 -6.021 435 HB3 GLU 610 2HB GLU 610 -9.241 -5.995 -6.810 436 HG2 GLU 610 1HG GLU 610 -6.974 -5.109 -7.720 437 HG3 GLU 610 2HG GLU 610 -6.396 -6.724 -7.320 438 H VAL 611 H VAL 611 -9.445 -3.502 -6.399 439 HA VAL 611 HA VAL 611 -11.287 -3.334 -4.108 440 HB VAL 611 HB VAL 611 -11.966 -1.135 -5.017 441 HG11 VAL 611 1HG1 VAL 611 -10.224 -1.312 -3.291 442 HG12 VAL 611 2HG1 VAL 611 -8.995 -1.381 -4.555 443 HG13 VAL 611 3HG1 VAL 611 -9.970 0.075 -4.350 444 HG21 VAL 611 1HG2 VAL 611 -9.657 -0.780 -6.737 445 HG22 VAL 611 2HG2 VAL 611 -10.753 -2.023 -7.342 446 HG23 VAL 611 3HG2 VAL 611 -11.352 -0.393 -7.030 447 H ALA 612 H ALA 612 -11.526 -5.445 -5.967 448 HA ALA 612 HA ALA 612 -13.683 -4.733 -7.782 449 HB1 ALA 612 1HB ALA 612 -13.479 -6.913 -8.675 450 HB2 ALA 612 2HB ALA 612 -11.836 -6.352 -8.367 451 HB3 ALA 612 3HB ALA 612 -12.602 -7.492 -7.259 452 H ASN 613 H ASN 613 -13.192 -6.590 -4.817 453 HA ASN 613 HA ASN 613 -16.093 -6.543 -4.389 454 HB2 ASN 613 1HB ASN 613 -14.294 -8.956 -4.234 455 HB3 ASN 613 2HB ASN 613 -15.833 -8.886 -3.383 456 HD21 ASN 613 1HD2 ASN 613 -15.734 -9.171 -7.453 457 HD22 ASN 613 2HD2 ASN 613 -14.364 -8.596 -6.573 Start of MODEL 2 1 H1 MET 553 H MET 553 2.359 -3.368 -13.510 2 HA MET 553 HA MET 553 4.994 -2.075 -13.646 3 HB2 MET 553 1HB MET 553 2.923 -2.710 -15.733 4 HB3 MET 553 2HB MET 553 4.203 -1.545 -16.038 5 HG2 MET 553 1HG MET 553 4.861 -4.292 -15.068 6 HG3 MET 553 2HG MET 553 4.512 -3.998 -16.771 7 HE1 MET 553 1HE MET 553 8.132 -3.573 -14.410 8 HE2 MET 553 2HE MET 553 6.751 -4.671 -14.426 9 HE3 MET 553 3HE MET 553 8.014 -4.823 -15.649 10 H VAL 554 H VAL 554 3.732 -0.821 -11.790 11 HA VAL 554 HA VAL 554 2.825 1.141 -11.068 12 HB VAL 554 HB VAL 554 3.650 2.166 -13.789 13 HG11 VAL 554 1HG1 VAL 554 3.699 4.332 -12.790 14 HG12 VAL 554 2HG1 VAL 554 2.133 3.612 -12.415 15 HG13 VAL 554 3HG1 VAL 554 3.397 3.663 -11.186 16 HG21 VAL 554 1HG2 VAL 554 5.211 1.318 -11.466 17 HG22 VAL 554 2HG2 VAL 554 5.714 1.582 -13.136 18 HG23 VAL 554 3HG2 VAL 554 5.592 2.947 -12.027 19 HA PRO 555 HA PRO 555 -1.109 0.372 -13.408 20 HB2 PRO 555 1HB PRO 555 -2.601 -0.120 -11.193 21 HB3 PRO 555 2HB PRO 555 -1.672 -1.373 -12.022 22 HG2 PRO 555 1HG PRO 555 -0.975 0.185 -9.562 23 HG3 PRO 555 2HG PRO 555 -0.769 -1.547 -9.887 24 HD2 PRO 555 1HD PRO 555 1.271 0.224 -10.074 25 HD3 PRO 555 2HD PRO 555 1.159 -1.216 -11.106 26 H GLY 556 H GLY 556 -3.256 1.471 -13.047 27 HA2 GLY 556 1HA GLY 556 -2.821 4.128 -11.825 28 HA3 GLY 556 2HA GLY 556 -3.729 3.885 -13.309 29 H ARG 557 H ARG 557 -4.215 1.474 -10.953 30 HA ARG 557 HA ARG 557 -6.859 2.605 -10.364 31 HB2 ARG 557 1HB ARG 557 -7.596 0.371 -9.910 32 HB3 ARG 557 2HB ARG 557 -6.714 0.344 -11.430 33 HG2 ARG 557 1HG ARG 557 -4.713 -0.452 -10.166 34 HG3 ARG 557 2HG ARG 557 -5.746 -0.592 -8.742 35 HD2 ARG 557 1HD ARG 557 -6.844 -2.411 -9.548 36 HD3 ARG 557 2HD ARG 557 -6.702 -1.886 -11.225 37 HE ARG 557 HE ARG 557 -4.155 -2.565 -10.298 38 HH11 ARG 557 1HH1 ARG 557 -6.494 -5.606 -11.441 39 HH12 ARG 557 2HH1 ARG 557 -7.203 -4.081 -11.024 40 HH21 ARG 557 1HH2 ARG 557 -4.222 -5.883 -11.335 41 HH22 ARG 557 2HH2 ARG 557 -3.208 -4.569 -10.843 42 H SER 558 H SER 558 -7.746 2.022 -8.165 43 HA SER 558 HA SER 558 -5.660 2.508 -6.148 44 HB2 SER 558 1HB SER 558 -7.346 3.581 -4.801 45 HB3 SER 558 2HB SER 558 -7.456 4.245 -6.431 46 HG SER 558 HG SER 558 -9.510 3.695 -5.561 47 H PHE 559 H PHE 559 -5.266 1.022 -4.644 48 HA PHE 559 HA PHE 559 -7.020 -1.320 -4.518 49 HB2 PHE 559 1HB PHE 559 -4.145 -0.854 -3.752 50 HB3 PHE 559 2HB PHE 559 -5.025 -2.275 -3.199 51 HD1 PHE 559 1HD PHE 559 -4.248 -0.419 -6.335 52 HD2 PHE 559 2HD PHE 559 -4.966 -4.184 -4.481 53 HE1 PHE 559 1HE PHE 559 -3.726 -1.559 -8.455 54 HE2 PHE 559 2HE PHE 559 -4.445 -5.329 -6.596 55 HZ PHE 559 HZ PHE 559 -3.824 -4.016 -8.585 56 H MET 560 H MET 560 -7.375 -2.325 -2.384 57 HA MET 560 HA MET 560 -7.685 -0.267 -0.298 58 HB2 MET 560 1HB MET 560 -9.826 -1.076 -1.188 59 HB3 MET 560 2HB MET 560 -9.371 -2.729 -0.794 60 HG2 MET 560 1HG MET 560 -9.075 -1.586 1.617 61 HG3 MET 560 2HG MET 560 -10.341 -0.560 0.945 62 HE1 MET 560 1HE MET 560 -10.513 -4.969 2.045 63 HE2 MET 560 2HE MET 560 -9.085 -3.973 1.762 64 HE3 MET 560 3HE MET 560 -10.067 -3.717 3.205 65 H ALA 561 H ALA 561 -6.901 -0.653 1.705 66 HA ALA 561 HA ALA 561 -5.138 -2.918 2.037 67 HB1 ALA 561 1HB ALA 561 -5.403 -0.295 3.178 68 HB2 ALA 561 2HB ALA 561 -5.269 -1.508 4.451 69 HB3 ALA 561 3HB ALA 561 -4.025 -1.394 3.206 70 H VAL 562 H VAL 562 -5.753 -4.801 2.855 71 HA VAL 562 HA VAL 562 -8.297 -5.056 4.213 72 HB VAL 562 HB VAL 562 -7.944 -7.440 4.117 73 HG11 VAL 562 1HG1 VAL 562 -8.605 -6.125 2.049 74 HG12 VAL 562 2HG1 VAL 562 -6.944 -6.354 1.498 75 HG13 VAL 562 3HG1 VAL 562 -7.982 -7.753 1.783 76 HG21 VAL 562 1HG2 VAL 562 -5.160 -6.777 3.162 77 HG22 VAL 562 2HG2 VAL 562 -5.594 -7.534 4.695 78 HG23 VAL 562 3HG2 VAL 562 -5.869 -8.392 3.179 79 H LYS 563 H LYS 563 -5.140 -4.427 5.130 80 HA LYS 563 HA LYS 563 -5.778 -4.789 7.916 81 HB2 LYS 563 1HB LYS 563 -3.742 -6.171 8.374 82 HB3 LYS 563 2HB LYS 563 -5.005 -7.017 7.491 83 HG2 LYS 563 1HG LYS 563 -3.685 -6.325 5.385 84 HG3 LYS 563 2HG LYS 563 -2.357 -6.031 6.511 85 HD2 LYS 563 1HD LYS 563 -3.859 -8.631 6.198 86 HD3 LYS 563 2HD LYS 563 -2.251 -8.286 5.555 87 HE2 LYS 563 1HE LYS 563 -1.372 -8.957 7.481 88 HE3 LYS 563 2HE LYS 563 -2.194 -7.629 8.297 89 HZ1 LYS 563 1HZ LYS 563 -3.932 -9.841 7.764 90 HZ2 LYS 563 2HZ LYS 563 -3.643 -9.022 9.217 91 HZ3 LYS 563 3HZ LYS 563 -2.618 -10.280 8.737 92 H SER 564 H SER 564 -4.410 -3.626 9.300 93 HA SER 564 HA SER 564 -3.058 -1.425 8.039 94 HB2 SER 564 1HB SER 564 -3.250 -2.120 10.980 95 HB3 SER 564 2HB SER 564 -2.760 -0.567 10.303 96 HG SER 564 HG SER 564 -5.301 -1.750 10.403 97 H TYR 565 H TYR 565 -0.873 -0.729 8.926 98 HA TYR 565 HA TYR 565 0.911 -2.904 9.639 99 HB2 TYR 565 1HB TYR 565 0.869 -3.077 7.206 100 HB3 TYR 565 2HB TYR 565 1.241 -1.363 7.055 101 HD1 TYR 565 1HD TYR 565 3.455 -0.677 6.865 102 HD2 TYR 565 2HD TYR 565 2.615 -4.534 8.452 103 HE1 TYR 565 1HE TYR 565 5.861 -1.195 6.863 104 HE2 TYR 565 2HE TYR 565 5.018 -5.063 8.456 105 HH TYR 565 HH TYR 565 7.423 -2.690 7.354 106 H GLN 566 H GLN 566 2.873 -2.211 10.516 107 HA GLN 566 HA GLN 566 3.004 0.677 11.080 108 HB2 GLN 566 1HB GLN 566 2.644 -1.124 12.957 109 HB3 GLN 566 2HB GLN 566 4.378 -1.361 12.786 110 HG2 GLN 566 1HG GLN 566 4.825 0.899 13.384 111 HG3 GLN 566 2HG GLN 566 3.112 1.312 13.322 112 HE21 GLN 566 1HE2 GLN 566 3.662 1.009 16.842 113 HE22 GLN 566 2HE2 GLN 566 3.871 2.106 15.523 114 H ALA 567 H ALA 567 4.525 1.645 9.921 115 HA ALA 567 HA ALA 567 6.540 0.485 8.457 116 HB1 ALA 567 1HB ALA 567 7.602 2.689 8.397 117 HB2 ALA 567 2HB ALA 567 5.854 2.806 8.177 118 HB3 ALA 567 3HB ALA 567 6.577 3.218 9.732 119 H GLN 568 H GLN 568 8.628 -0.125 8.795 120 HA GLN 568 HA GLN 568 9.640 0.052 11.556 121 HB2 GLN 568 1HB GLN 568 10.138 -2.243 9.658 122 HB3 GLN 568 2HB GLN 568 10.594 -2.148 11.353 123 HG2 GLN 568 1HG GLN 568 8.022 -1.874 11.720 124 HG3 GLN 568 2HG GLN 568 7.924 -2.632 10.131 125 HE21 GLN 568 1HE2 GLN 568 7.941 -5.096 13.020 126 HE22 GLN 568 2HE2 GLN 568 7.130 -3.586 12.811 127 H ALA 569 H ALA 569 10.392 0.012 8.126 128 HA ALA 569 HA ALA 569 13.209 0.513 8.577 129 HB1 ALA 569 1HB ALA 569 13.488 -0.120 6.453 130 HB2 ALA 569 2HB ALA 569 11.797 -0.623 6.516 131 HB3 ALA 569 3HB ALA 569 12.222 0.962 5.871 132 H GLU 570 H GLU 570 13.912 2.339 6.718 133 HA GLU 570 HA GLU 570 12.995 4.806 7.936 134 HB2 GLU 570 1HB GLU 570 14.935 5.765 7.182 135 HB3 GLU 570 2HB GLU 570 15.445 4.084 7.252 136 HG2 GLU 570 1HG GLU 570 14.868 3.898 4.827 137 HG3 GLU 570 2HG GLU 570 14.606 5.641 4.821 138 H GLY 571 H GLY 571 12.742 3.112 4.887 139 HA2 GLY 571 1HA GLY 571 11.260 5.391 3.748 140 HA3 GLY 571 2HA GLY 571 12.004 4.102 2.815 141 H GLU 572 H GLU 572 10.275 3.245 5.675 142 HA GLU 572 HA GLU 572 8.145 2.112 3.993 143 HB2 GLU 572 1HB GLU 572 9.573 1.173 6.399 144 HB3 GLU 572 2HB GLU 572 7.843 0.869 6.390 145 HG2 GLU 572 1HG GLU 572 8.666 -1.048 5.435 146 HG3 GLU 572 2HG GLU 572 8.277 -0.076 4.016 147 H ILE 573 H ILE 573 5.978 2.293 4.613 148 HA ILE 573 HA ILE 573 5.433 4.347 6.656 149 HB ILE 573 HB ILE 573 3.457 5.013 5.283 150 HG12 ILE 573 1HG1 ILE 573 4.644 3.884 2.830 151 HG13 ILE 573 2HG1 ILE 573 3.906 2.703 3.908 152 HG21 ILE 573 1HG2 ILE 573 4.816 6.235 3.554 153 HG22 ILE 573 2HG2 ILE 573 5.363 6.423 5.219 154 HG23 ILE 573 3HG2 ILE 573 6.217 5.332 4.129 155 HD11 ILE 573 1HD1 ILE 573 1.903 3.248 3.160 156 HD12 ILE 573 2HD1 ILE 573 2.150 4.928 3.640 157 HD13 ILE 573 3HD1 ILE 573 2.650 4.385 2.038 158 H SER 574 H SER 574 3.221 4.254 7.555 159 HA SER 574 HA SER 574 2.546 1.515 8.201 160 HB2 SER 574 1HB SER 574 1.688 4.204 9.235 161 HB3 SER 574 2HB SER 574 0.780 2.753 9.661 162 HG SER 574 HG SER 574 2.343 3.076 11.218 163 H LEU 575 H LEU 575 0.034 1.160 8.476 164 HA LEU 575 HA LEU 575 -1.411 2.177 6.143 165 HB2 LEU 575 1HB LEU 575 -0.524 -0.590 6.598 166 HB3 LEU 575 2HB LEU 575 -2.214 -0.413 6.133 167 HG LEU 575 HG LEU 575 -1.168 1.073 4.215 168 HD11 LEU 575 1HD1 LEU 575 0.975 0.345 3.481 169 HD12 LEU 575 2HD1 LEU 575 1.053 -0.892 4.735 170 HD13 LEU 575 3HD1 LEU 575 1.131 0.814 5.175 171 HD21 LEU 575 1HD2 LEU 575 -2.035 -1.621 4.478 172 HD22 LEU 575 2HD2 LEU 575 -0.678 -1.581 3.352 173 HD23 LEU 575 3HD2 LEU 575 -2.097 -0.576 3.059 174 H SER 576 H SER 576 -3.757 1.332 6.212 175 HA SER 576 HA SER 576 -4.722 0.956 8.946 176 HB2 SER 576 1HB SER 576 -5.186 3.357 7.251 177 HB3 SER 576 2HB SER 576 -6.556 2.749 8.181 178 HG SER 576 HG SER 576 -5.027 4.350 9.189 179 H LYS 577 H LYS 577 -6.165 -0.625 8.975 180 HA LYS 577 HA LYS 577 -7.061 -2.009 6.753 181 HB2 LYS 577 1HB LYS 577 -7.141 -2.553 9.332 182 HB3 LYS 577 2HB LYS 577 -8.773 -1.911 9.203 183 HG2 LYS 577 1HG LYS 577 -7.868 -4.005 7.285 184 HG3 LYS 577 2HG LYS 577 -8.336 -4.461 8.925 185 HD2 LYS 577 1HD LYS 577 -10.393 -2.838 8.249 186 HD3 LYS 577 2HD LYS 577 -9.984 -3.518 6.672 187 HE2 LYS 577 1HE LYS 577 -11.653 -4.904 7.711 188 HE3 LYS 577 2HE LYS 577 -10.126 -5.785 7.665 189 HZ1 LYS 577 1HZ LYS 577 -11.696 -5.015 9.914 190 HZ2 LYS 577 2HZ LYS 577 -10.105 -4.459 10.063 191 HZ3 LYS 577 3HZ LYS 577 -10.406 -6.107 9.829 192 H GLY 578 H GLY 578 -8.530 -1.607 5.234 193 HA2 GLY 578 1HA GLY 578 -10.620 -0.941 4.395 194 HA3 GLY 578 2HA GLY 578 -10.895 -0.025 5.868 195 H GLU 579 H GLU 579 -7.890 0.838 5.097 196 HA GLU 579 HA GLU 579 -8.760 3.333 3.927 197 HB2 GLU 579 1HB GLU 579 -6.873 2.850 5.727 198 HB3 GLU 579 2HB GLU 579 -5.873 2.668 4.292 199 HG2 GLU 579 1HG GLU 579 -5.794 4.933 5.243 200 HG3 GLU 579 2HG GLU 579 -6.387 4.903 3.583 201 H LYS 580 H LYS 580 -8.448 4.027 1.882 202 HA LYS 580 HA LYS 580 -7.782 2.064 -0.113 203 HB2 LYS 580 1HB LYS 580 -9.554 3.988 -0.201 204 HB3 LYS 580 2HB LYS 580 -8.190 4.971 -0.718 205 HG2 LYS 580 1HG LYS 580 -9.291 4.221 -2.673 206 HG3 LYS 580 2HG LYS 580 -7.792 3.299 -2.542 207 HD2 LYS 580 1HD LYS 580 -9.538 1.782 -3.151 208 HD3 LYS 580 2HD LYS 580 -9.105 1.461 -1.471 209 HE2 LYS 580 1HE LYS 580 -11.533 1.454 -1.800 210 HE3 LYS 580 2HE LYS 580 -11.027 2.748 -0.713 211 HZ1 LYS 580 1HZ LYS 580 -12.718 3.301 -2.517 212 HZ2 LYS 580 2HZ LYS 580 -11.421 3.236 -3.600 213 HZ3 LYS 580 3HZ LYS 580 -11.408 4.355 -2.331 214 H ILE 581 H ILE 581 -5.729 1.590 -0.538 215 HA ILE 581 HA ILE 581 -3.692 3.684 -0.317 216 HB ILE 581 HB ILE 581 -3.032 0.827 -0.895 217 HG12 ILE 581 1HG1 ILE 581 -4.610 0.654 0.938 218 HG13 ILE 581 2HG1 ILE 581 -2.982 0.390 1.554 219 HG21 ILE 581 1HG2 ILE 581 -1.106 2.079 -0.900 220 HG22 ILE 581 2HG2 ILE 581 -1.698 3.191 0.333 221 HG23 ILE 581 3HG2 ILE 581 -1.169 1.572 0.787 222 HD11 ILE 581 1HD1 ILE 581 -4.934 2.361 2.306 223 HD12 ILE 581 2HD1 ILE 581 -3.424 1.909 3.098 224 HD13 ILE 581 3HD1 ILE 581 -3.420 3.125 1.820 225 H LYS 582 H LYS 582 -2.557 4.431 -2.023 226 HA LYS 582 HA LYS 582 -3.201 3.294 -4.663 227 HB2 LYS 582 1HB LYS 582 -4.101 5.523 -4.463 228 HB3 LYS 582 2HB LYS 582 -2.562 6.141 -3.875 229 HG2 LYS 582 1HG LYS 582 -2.975 6.742 -6.211 230 HG3 LYS 582 2HG LYS 582 -1.537 5.735 -6.028 231 HD2 LYS 582 1HD LYS 582 -2.638 3.833 -6.884 232 HD3 LYS 582 2HD LYS 582 -4.227 4.579 -6.712 233 HE2 LYS 582 1HE LYS 582 -3.786 4.717 -8.998 234 HE3 LYS 582 2HE LYS 582 -3.379 6.320 -8.388 235 HZ1 LYS 582 1HZ LYS 582 -1.713 5.425 -9.935 236 HZ2 LYS 582 2HZ LYS 582 -1.408 4.150 -8.865 237 HZ3 LYS 582 3HZ LYS 582 -1.062 5.741 -8.405 238 H VAL 583 H VAL 583 -1.553 2.105 -5.367 239 HA VAL 583 HA VAL 583 1.133 2.456 -4.483 240 HB VAL 583 HB VAL 583 0.310 0.254 -5.137 241 HG11 VAL 583 1HG1 VAL 583 0.458 0.567 -8.002 242 HG12 VAL 583 2HG1 VAL 583 -0.823 -0.134 -7.012 243 HG13 VAL 583 3HG1 VAL 583 -0.790 1.603 -7.310 244 HG21 VAL 583 1HG2 VAL 583 2.694 1.493 -6.296 245 HG22 VAL 583 2HG2 VAL 583 2.527 0.004 -5.367 246 HG23 VAL 583 3HG2 VAL 583 2.190 0.006 -7.099 247 H LEU 584 H LEU 584 2.590 3.852 -5.200 248 HA LEU 584 HA LEU 584 2.156 5.124 -7.814 249 HB2 LEU 584 1HB LEU 584 3.935 6.080 -5.582 250 HB3 LEU 584 2HB LEU 584 3.450 6.973 -7.021 251 HG LEU 584 HG LEU 584 1.630 6.163 -4.754 252 HD11 LEU 584 1HD1 LEU 584 3.370 7.974 -4.332 253 HD12 LEU 584 2HD1 LEU 584 1.684 8.389 -4.026 254 HD13 LEU 584 3HD1 LEU 584 2.475 8.944 -5.501 255 HD21 LEU 584 1HD2 LEU 584 -0.013 7.595 -5.871 256 HD22 LEU 584 2HD2 LEU 584 0.462 6.235 -6.889 257 HD23 LEU 584 3HD2 LEU 584 1.113 7.844 -7.205 258 H SER 585 H SER 585 4.312 3.141 -5.991 259 HA SER 585 HA SER 585 6.028 2.874 -8.342 260 HB2 SER 585 1HB SER 585 6.817 4.199 -5.904 261 HB3 SER 585 2HB SER 585 7.793 2.752 -6.150 262 HG SER 585 HG SER 585 8.684 4.588 -7.194 263 H ILE 586 H ILE 586 7.692 1.039 -7.885 264 HA ILE 586 HA ILE 586 6.666 -1.024 -6.112 265 HB ILE 586 HB ILE 586 6.597 -2.723 -7.907 266 HG12 ILE 586 1HG1 ILE 586 6.600 -0.423 -9.858 267 HG13 ILE 586 2HG1 ILE 586 8.062 -1.320 -9.463 268 HG21 ILE 586 1HG2 ILE 586 4.721 -0.404 -8.341 269 HG22 ILE 586 2HG2 ILE 586 4.434 -2.075 -8.818 270 HG23 ILE 586 3HG2 ILE 586 4.544 -1.652 -7.110 271 HD11 ILE 586 1HD1 ILE 586 7.364 -2.396 -11.357 272 HD12 ILE 586 2HD1 ILE 586 6.609 -3.389 -10.109 273 HD13 ILE 586 3HD1 ILE 586 5.653 -2.187 -10.977 274 H GLY 587 H GLY 587 8.077 -3.156 -6.708 275 HA2 GLY 587 1HA GLY 587 10.808 -2.503 -7.415 276 HA3 GLY 587 2HA GLY 587 10.565 -2.872 -5.714 277 H GLU 588 H GLU 588 10.156 -4.974 -5.077 278 HA GLU 588 HA GLU 588 9.973 -7.034 -7.138 279 HB2 GLU 588 1HB GLU 588 12.425 -6.500 -6.380 280 HB3 GLU 588 2HB GLU 588 11.980 -7.421 -4.950 281 HG2 GLU 588 1HG GLU 588 13.114 -8.787 -6.635 282 HG3 GLU 588 2HG GLU 588 11.482 -9.357 -6.294 283 H GLY 589 H GLY 589 9.525 -9.202 -6.191 284 HA2 GLY 589 1HA GLY 589 8.126 -10.521 -4.931 285 HA3 GLY 589 2HA GLY 589 8.858 -9.708 -3.556 286 H GLY 590 H GLY 590 6.984 -9.638 -2.333 287 HA2 GLY 590 1HA GLY 590 4.629 -8.337 -3.465 288 HA3 GLY 590 2HA GLY 590 4.729 -9.128 -1.901 289 H PHE 591 H PHE 591 6.890 -6.648 -3.192 290 HA PHE 591 HA PHE 591 5.905 -4.812 -1.109 291 HB2 PHE 591 1HB PHE 591 8.467 -5.981 -1.280 292 HB3 PHE 591 2HB PHE 591 8.662 -4.298 -1.757 293 HD1 PHE 591 1HD PHE 591 7.661 -6.560 0.952 294 HD2 PHE 591 2HD PHE 591 8.370 -2.519 -0.184 295 HE1 PHE 591 1HE PHE 591 7.633 -5.891 3.320 296 HE2 PHE 591 2HE PHE 591 8.343 -1.846 2.182 297 HZ PHE 591 HZ PHE 591 7.975 -3.533 3.938 298 H TRP 592 H TRP 592 5.632 -2.703 -1.674 299 HA TRP 592 HA TRP 592 6.745 -1.606 -4.082 300 HB2 TRP 592 1HB TRP 592 4.576 -1.137 -5.174 301 HB3 TRP 592 2HB TRP 592 4.908 -2.863 -5.068 302 HD1 TRP 592 HD TRP 592 3.877 -2.026 -1.724 303 HE1 TRP 592 1HE TRP 592 1.367 -2.459 -1.352 304 HE3 TRP 592 3HE TRP 592 2.393 -2.446 -6.599 305 HZ2 TRP 592 2HZ TRP 592 -0.936 -2.918 -2.916 306 HZ3 TRP 592 3HZ TRP 592 0.018 -2.882 -7.075 307 HH2 TRP 592 HH TRP 592 -1.611 -3.114 -5.271 308 H GLU 593 H GLU 593 5.802 0.655 -4.477 309 HA GLU 593 HA GLU 593 5.521 1.950 -1.861 310 HB2 GLU 593 1HB GLU 593 7.002 2.562 -4.228 311 HB3 GLU 593 2HB GLU 593 5.862 3.867 -3.929 312 HG2 GLU 593 1HG GLU 593 7.237 3.016 -1.519 313 HG3 GLU 593 2HG GLU 593 8.342 3.568 -2.778 314 H GLY 594 H GLY 594 3.840 3.308 -1.370 315 HA2 GLY 594 1HA GLY 594 1.877 4.001 -3.393 316 HA3 GLY 594 2HA GLY 594 1.315 2.874 -2.168 317 H GLN 595 H GLN 595 -0.226 4.767 -1.925 318 HA GLN 595 HA GLN 595 0.834 6.534 0.168 319 HB2 GLN 595 1HB GLN 595 0.724 7.985 -1.696 320 HB3 GLN 595 2HB GLN 595 -0.813 7.316 -2.228 321 HG2 GLN 595 1HG GLN 595 -2.014 8.441 -0.588 322 HG3 GLN 595 2HG GLN 595 -0.580 8.729 0.398 323 HE21 GLN 595 1HE2 GLN 595 -0.607 11.976 -0.817 324 HE22 GLN 595 2HE2 GLN 595 -0.765 10.913 0.535 325 H VAL 596 H VAL 596 -0.439 6.759 1.926 326 HA VAL 596 HA VAL 596 -3.196 5.745 1.787 327 HB VAL 596 HB VAL 596 -1.868 3.961 2.759 328 HG11 VAL 596 1HG1 VAL 596 -1.092 5.150 5.240 329 HG12 VAL 596 2HG1 VAL 596 -0.090 4.346 4.031 330 HG13 VAL 596 3HG1 VAL 596 -0.407 6.076 3.906 331 HG21 VAL 596 1HG2 VAL 596 -3.403 3.484 4.328 332 HG22 VAL 596 2HG2 VAL 596 -3.087 4.965 5.232 333 HG23 VAL 596 3HG2 VAL 596 -4.144 5.003 3.821 334 H LYS 597 H LYS 597 -4.503 7.360 2.308 335 HA LYS 597 HA LYS 597 -5.172 9.412 3.115 336 HB2 LYS 597 1HB LYS 597 -5.194 9.378 5.668 337 HB3 LYS 597 2HB LYS 597 -6.022 8.063 4.846 338 HG2 LYS 597 1HG LYS 597 -4.871 6.958 6.503 339 HG3 LYS 597 2HG LYS 597 -3.775 6.804 5.128 340 HD2 LYS 597 1HD LYS 597 -2.527 7.421 7.109 341 HD3 LYS 597 2HD LYS 597 -2.512 8.755 5.954 342 HE2 LYS 597 1HE LYS 597 -3.186 10.045 7.645 343 HE3 LYS 597 2HE LYS 597 -4.753 9.253 7.481 344 HZ1 LYS 597 1HZ LYS 597 -3.520 7.491 9.008 345 HZ2 LYS 597 2HZ LYS 597 -4.367 8.808 9.648 346 HZ3 LYS 597 3HZ LYS 597 -2.683 8.877 9.497 347 H GLY 598 H GLY 598 -2.468 9.502 2.210 348 HA2 GLY 598 1HA GLY 598 -1.247 11.623 2.323 349 HA3 GLY 598 2HA GLY 598 -1.402 11.533 4.071 350 H ARG 599 H ARG 599 -0.625 9.042 4.703 351 HA ARG 599 HA ARG 599 2.159 9.172 4.638 352 HB2 ARG 599 1HB ARG 599 0.146 7.164 5.464 353 HB3 ARG 599 2HB ARG 599 1.762 6.549 5.141 354 HG2 ARG 599 1HG ARG 599 2.350 8.685 6.685 355 HG3 ARG 599 2HG ARG 599 0.778 8.225 7.343 356 HD2 ARG 599 1HD ARG 599 1.527 6.102 7.960 357 HD3 ARG 599 2HD ARG 599 2.923 6.181 6.885 358 HE ARG 599 HE ARG 599 4.092 7.230 8.547 359 HH11 ARG 599 1HH1 ARG 599 0.931 8.056 10.861 360 HH12 ARG 599 2HH1 ARG 599 0.692 7.388 9.280 361 HH21 ARG 599 1HH2 ARG 599 3.051 8.466 11.626 362 HH22 ARG 599 2HH2 ARG 599 4.419 8.108 10.626 363 H VAL 600 H VAL 600 3.277 9.158 2.784 364 HA VAL 600 HA VAL 600 2.681 7.043 0.820 365 HB VAL 600 HB VAL 600 4.138 9.628 0.268 366 HG11 VAL 600 1HG1 VAL 600 3.799 9.071 -2.057 367 HG12 VAL 600 2HG1 VAL 600 4.608 7.729 -1.244 368 HG13 VAL 600 3HG1 VAL 600 2.885 7.630 -1.612 369 HG21 VAL 600 1HG2 VAL 600 1.646 9.625 -1.026 370 HG22 VAL 600 2HG2 VAL 600 1.331 9.170 0.648 371 HG23 VAL 600 3HG2 VAL 600 2.177 10.675 0.287 372 H GLY 601 H GLY 601 4.131 5.467 0.686 373 HA2 GLY 601 1HA GLY 601 6.920 5.897 0.534 374 HA3 GLY 601 2HA GLY 601 6.502 5.363 2.156 375 H TRP 602 H TRP 602 7.631 3.423 1.931 376 HA TRP 602 HA TRP 602 6.649 1.556 -0.107 377 HB2 TRP 602 1HB TRP 602 9.063 1.368 1.708 378 HB3 TRP 602 2HB TRP 602 8.619 0.189 0.478 379 HD1 TRP 602 HD TRP 602 9.239 4.034 0.482 380 HE1 TRP 602 1HE TRP 602 10.647 4.601 -1.598 381 HE3 TRP 602 3HE TRP 602 9.673 -0.657 -1.504 382 HZ2 TRP 602 2HZ TRP 602 11.789 3.237 -3.790 383 HZ3 TRP 602 3HZ TRP 602 10.939 -0.939 -3.596 384 HH2 TRP 602 HH TRP 602 11.974 0.969 -4.714 385 H PHE 603 H PHE 603 5.967 -0.548 0.452 386 HA PHE 603 HA PHE 603 5.792 -1.525 3.083 387 HB2 PHE 603 1HB PHE 603 3.440 -1.227 3.571 388 HB3 PHE 603 2HB PHE 603 4.172 0.351 3.307 389 HD1 PHE 603 1HD PHE 603 1.888 -2.172 1.959 390 HD2 PHE 603 2HD PHE 603 3.579 1.694 1.402 391 HE1 PHE 603 1HE PHE 603 0.184 -1.676 0.256 392 HE2 PHE 603 2HE PHE 603 1.877 2.198 -0.301 393 HZ PHE 603 HZ PHE 603 0.176 0.513 -0.876 394 HA PRO 604 HA PRO 604 4.844 -5.211 0.900 395 HB2 PRO 604 1HB PRO 604 3.484 -6.622 2.778 396 HB3 PRO 604 2HB PRO 604 5.226 -6.339 2.864 397 HG2 PRO 604 1HG PRO 604 3.003 -4.911 4.271 398 HG3 PRO 604 2HG PRO 604 4.569 -5.446 4.909 399 HD2 PRO 604 1HD PRO 604 4.090 -2.882 4.188 400 HD3 PRO 604 2HD PRO 604 5.689 -3.636 4.026 401 H SER 605 H SER 605 3.371 -5.705 -0.598 402 HA SER 605 HA SER 605 0.809 -4.452 -0.622 403 HB2 SER 605 1HB SER 605 0.754 -5.042 -2.810 404 HB3 SER 605 2HB SER 605 2.455 -5.435 -2.560 405 HG SER 605 HG SER 605 1.112 -7.123 -3.534 406 H ASP 606 H ASP 606 1.942 -7.177 0.925 407 HA ASP 606 HA ASP 606 -0.104 -9.050 0.627 408 HB2 ASP 606 1HB ASP 606 2.153 -9.257 1.865 409 HB3 ASP 606 2HB ASP 606 1.297 -8.587 3.250 410 H CYS 607 H CYS 607 0.003 -6.073 2.411 411 HA CYS 607 HA CYS 607 -2.427 -6.696 3.887 412 HB2 CYS 607 1HB CYS 607 -0.967 -4.058 3.849 413 HB3 CYS 607 2HB CYS 607 -2.064 -4.669 5.081 414 HG CYS 607 HG CYS 607 0.042 -6.915 5.273 415 H LEU 608 H LEU 608 -1.821 -5.823 0.827 416 HA LEU 608 HA LEU 608 -4.126 -4.000 0.648 417 HB2 LEU 608 1HB LEU 608 -1.575 -4.197 -0.787 418 HB3 LEU 608 2HB LEU 608 -2.979 -3.948 -1.824 419 HG LEU 608 HG LEU 608 -1.709 -1.878 -1.092 420 HD11 LEU 608 1HD1 LEU 608 -4.534 -2.385 -1.276 421 HD12 LEU 608 2HD1 LEU 608 -3.605 -0.995 -1.831 422 HD13 LEU 608 3HD1 LEU 608 -4.212 -1.045 -0.177 423 HD21 LEU 608 1HD2 LEU 608 -3.222 -1.848 1.431 424 HD22 LEU 608 2HD2 LEU 608 -1.613 -1.227 1.061 425 HD23 LEU 608 3HD2 LEU 608 -1.841 -2.946 1.389 426 H GLU 609 H GLU 609 -5.531 -4.273 -1.250 427 HA GLU 609 HA GLU 609 -5.521 -6.819 -2.600 428 HB2 GLU 609 1HB GLU 609 -7.475 -6.198 -0.415 429 HB3 GLU 609 2HB GLU 609 -7.975 -7.190 -1.778 430 HG2 GLU 609 1HG GLU 609 -5.763 -8.499 -1.185 431 HG3 GLU 609 2HG GLU 609 -6.053 -7.786 0.400 432 H GLU 610 H GLU 610 -6.477 -6.670 -4.547 433 HA GLU 610 HA GLU 610 -7.195 -4.212 -5.629 434 HB2 GLU 610 1HB GLU 610 -6.503 -6.163 -6.970 435 HB3 GLU 610 2HB GLU 610 -8.022 -6.960 -6.583 436 HG2 GLU 610 1HG GLU 610 -9.113 -4.870 -7.639 437 HG3 GLU 610 2HG GLU 610 -7.523 -4.606 -8.352 438 H VAL 611 H VAL 611 -8.855 -2.977 -5.067 439 HA VAL 611 HA VAL 611 -11.280 -4.132 -3.978 440 HB VAL 611 HB VAL 611 -10.257 -2.057 -3.030 441 HG11 VAL 611 1HG1 VAL 611 -10.199 -0.044 -4.152 442 HG12 VAL 611 2HG1 VAL 611 -9.812 -1.180 -5.445 443 HG13 VAL 611 3HG1 VAL 611 -11.444 -0.527 -5.302 444 HG21 VAL 611 1HG2 VAL 611 -12.926 -1.178 -3.927 445 HG22 VAL 611 2HG2 VAL 611 -12.847 -2.769 -3.170 446 HG23 VAL 611 3HG2 VAL 611 -12.275 -1.348 -2.297 447 H ALA 612 H ALA 612 -10.183 -2.643 -6.941 448 HA ALA 612 HA ALA 612 -12.609 -1.957 -8.116 449 HB1 ALA 612 1HB ALA 612 -10.351 -3.124 -9.706 450 HB2 ALA 612 2HB ALA 612 -11.467 -1.830 -10.144 451 HB3 ALA 612 3HB ALA 612 -10.211 -1.542 -8.939 452 H ASN 613 H ASN 613 -14.169 -3.044 -9.211 453 HA ASN 613 HA ASN 613 -13.927 -5.980 -9.294 454 HB2 ASN 613 1HB ASN 613 -16.466 -5.940 -9.199 455 HB3 ASN 613 2HB ASN 613 -15.632 -5.450 -7.728 456 HD21 ASN 613 1HD2 ASN 613 -18.058 -2.906 -9.702 457 HD22 ASN 613 2HD2 ASN 613 -17.723 -4.501 -10.272 Start of MODEL 3 1 H1 MET 553 H MET 553 5.579 -0.495 -16.742 2 HA MET 553 HA MET 553 5.456 1.221 -14.740 3 HB2 MET 553 1HB MET 553 3.734 2.528 -15.943 4 HB3 MET 553 2HB MET 553 4.995 1.924 -17.009 5 HG2 MET 553 1HG MET 553 3.430 0.006 -17.542 6 HG3 MET 553 2HG MET 553 2.179 0.935 -16.720 7 HE1 MET 553 1HE MET 553 0.908 3.248 -18.204 8 HE2 MET 553 2HE MET 553 0.596 2.239 -19.617 9 HE3 MET 553 3HE MET 553 0.596 1.523 -18.004 10 H VAL 554 H VAL 554 3.769 2.198 -13.417 11 HA VAL 554 HA VAL 554 2.483 0.419 -11.742 12 HB VAL 554 HB VAL 554 1.032 2.416 -11.088 13 HG11 VAL 554 1HG1 VAL 554 3.847 3.303 -10.959 14 HG12 VAL 554 2HG1 VAL 554 2.662 3.089 -9.669 15 HG13 VAL 554 3HG1 VAL 554 3.501 1.689 -10.340 16 HG21 VAL 554 1HG2 VAL 554 1.433 4.521 -12.015 17 HG22 VAL 554 2HG2 VAL 554 2.922 3.995 -12.801 18 HG23 VAL 554 3HG2 VAL 554 1.360 3.452 -13.417 19 HA PRO 555 HA PRO 555 -1.225 -0.870 -13.707 20 HB2 PRO 555 1HB PRO 555 -2.926 -1.028 -11.599 21 HB3 PRO 555 2HB PRO 555 -1.612 -2.181 -11.863 22 HG2 PRO 555 1HG PRO 555 -1.714 0.189 -10.037 23 HG3 PRO 555 2HG PRO 555 -1.073 -1.436 -9.726 24 HD2 PRO 555 1HD PRO 555 0.521 0.667 -10.334 25 HD3 PRO 555 2HD PRO 555 0.911 -0.997 -10.811 26 H GLY 556 H GLY 556 -1.839 1.683 -11.284 27 HA2 GLY 556 1HA GLY 556 -2.759 3.805 -11.790 28 HA3 GLY 556 2HA GLY 556 -3.362 3.155 -13.306 29 H ARG 557 H ARG 557 -3.852 1.310 -10.432 30 HA ARG 557 HA ARG 557 -6.641 2.245 -10.292 31 HB2 ARG 557 1HB ARG 557 -7.395 -0.039 -9.965 32 HB3 ARG 557 2HB ARG 557 -6.507 0.083 -11.479 33 HG2 ARG 557 1HG ARG 557 -4.496 -0.653 -9.908 34 HG3 ARG 557 2HG ARG 557 -5.826 -1.358 -8.987 35 HD2 ARG 557 1HD ARG 557 -4.908 -2.962 -10.579 36 HD3 ARG 557 2HD ARG 557 -6.577 -2.556 -10.975 37 HE ARG 557 HE ARG 557 -4.839 -0.873 -12.410 38 HH11 ARG 557 1HH1 ARG 557 -5.603 -4.482 -13.965 39 HH12 ARG 557 2HH1 ARG 557 -5.885 -4.191 -12.281 40 HH21 ARG 557 1HH2 ARG 557 -4.794 -2.805 -15.301 41 HH22 ARG 557 2HH2 ARG 557 -4.464 -1.244 -14.629 42 H SER 558 H SER 558 -7.434 2.607 -8.296 43 HA SER 558 HA SER 558 -5.631 2.653 -6.087 44 HB2 SER 558 1HB SER 558 -7.595 3.476 -4.807 45 HB3 SER 558 2HB SER 558 -7.346 4.368 -6.308 46 HG SER 558 HG SER 558 -9.319 2.457 -5.686 47 H PHE 559 H PHE 559 -5.316 1.203 -4.519 48 HA PHE 559 HA PHE 559 -6.982 -1.216 -4.542 49 HB2 PHE 559 1HB PHE 559 -4.134 -0.682 -3.769 50 HB3 PHE 559 2HB PHE 559 -4.976 -2.079 -3.104 51 HD1 PHE 559 1HD PHE 559 -4.096 -0.440 -6.321 52 HD2 PHE 559 2HD PHE 559 -5.087 -4.058 -4.307 53 HE1 PHE 559 1HE PHE 559 -3.585 -1.715 -8.363 54 HE2 PHE 559 2HE PHE 559 -4.576 -5.337 -6.345 55 HZ PHE 559 HZ PHE 559 -3.823 -4.166 -8.377 56 H MET 560 H MET 560 -7.194 -2.306 -2.359 57 HA MET 560 HA MET 560 -7.685 -0.279 -0.276 58 HB2 MET 560 1HB MET 560 -9.786 -1.114 -1.227 59 HB3 MET 560 2HB MET 560 -9.302 -2.766 -0.868 60 HG2 MET 560 1HG MET 560 -9.083 -1.633 1.577 61 HG3 MET 560 2HG MET 560 -10.402 -0.691 0.888 62 HE1 MET 560 1HE MET 560 -10.355 -5.031 2.188 63 HE2 MET 560 2HE MET 560 -8.970 -3.980 1.889 64 HE3 MET 560 3HE MET 560 -10.046 -3.656 3.249 65 H ALA 561 H ALA 561 -6.874 -0.657 1.705 66 HA ALA 561 HA ALA 561 -5.094 -2.899 2.047 67 HB1 ALA 561 1HB ALA 561 -5.427 -0.297 3.214 68 HB2 ALA 561 2HB ALA 561 -5.304 -1.522 4.478 69 HB3 ALA 561 3HB ALA 561 -4.033 -1.377 3.265 70 H VAL 562 H VAL 562 -5.599 -4.783 2.942 71 HA VAL 562 HA VAL 562 -8.192 -5.124 4.209 72 HB VAL 562 HB VAL 562 -7.743 -7.508 4.129 73 HG11 VAL 562 1HG1 VAL 562 -8.484 -6.189 2.078 74 HG12 VAL 562 2HG1 VAL 562 -6.831 -6.392 1.495 75 HG13 VAL 562 3HG1 VAL 562 -7.839 -7.806 1.804 76 HG21 VAL 562 1HG2 VAL 562 -5.375 -7.484 4.661 77 HG22 VAL 562 2HG2 VAL 562 -5.653 -8.375 3.165 78 HG23 VAL 562 3HG2 VAL 562 -5.013 -6.732 3.107 79 H LYS 563 H LYS 563 -5.044 -4.459 5.176 80 HA LYS 563 HA LYS 563 -5.726 -4.818 7.951 81 HB2 LYS 563 1HB LYS 563 -3.691 -6.193 8.442 82 HB3 LYS 563 2HB LYS 563 -4.943 -7.045 7.549 83 HG2 LYS 563 1HG LYS 563 -3.607 -6.377 5.456 84 HG3 LYS 563 2HG LYS 563 -2.291 -6.050 6.586 85 HD2 LYS 563 1HD LYS 563 -3.762 -8.671 6.316 86 HD3 LYS 563 2HD LYS 563 -2.162 -8.320 5.657 87 HE2 LYS 563 1HE LYS 563 -1.277 -8.976 7.585 88 HE3 LYS 563 2HE LYS 563 -2.066 -7.608 8.371 89 HZ1 LYS 563 1HZ LYS 563 -3.487 -8.960 9.381 90 HZ2 LYS 563 2HZ LYS 563 -2.535 -10.258 8.865 91 HZ3 LYS 563 3HZ LYS 563 -3.872 -9.773 7.948 92 H SER 564 H SER 564 -4.373 -3.657 9.356 93 HA SER 564 HA SER 564 -3.046 -1.429 8.137 94 HB2 SER 564 1HB SER 564 -3.054 -0.463 10.234 95 HB3 SER 564 2HB SER 564 -4.384 -1.606 10.414 96 HG SER 564 HG SER 564 -2.077 -1.483 11.774 97 H TYR 565 H TYR 565 -0.845 -0.755 8.710 98 HA TYR 565 HA TYR 565 0.980 -2.954 9.350 99 HB2 TYR 565 1HB TYR 565 0.823 -2.851 6.888 100 HB3 TYR 565 2HB TYR 565 1.303 -1.158 6.936 101 HD1 TYR 565 1HD TYR 565 2.459 -4.604 7.649 102 HD2 TYR 565 2HD TYR 565 3.581 -0.542 7.059 103 HE1 TYR 565 1HE TYR 565 4.823 -5.278 7.544 104 HE2 TYR 565 2HE TYR 565 5.946 -1.205 6.951 105 HH TYR 565 HH TYR 565 7.189 -3.495 6.298 106 H GLN 566 H GLN 566 2.930 -2.324 10.273 107 HA GLN 566 HA GLN 566 3.064 0.511 11.059 108 HB2 GLN 566 1HB GLN 566 2.642 -1.030 12.932 109 HB3 GLN 566 2HB GLN 566 4.114 -1.910 12.536 110 HG2 GLN 566 1HG GLN 566 5.353 0.261 12.910 111 HG3 GLN 566 2HG GLN 566 3.855 0.884 13.599 112 HE21 GLN 566 1HE2 GLN 566 6.214 -0.680 16.139 113 HE22 GLN 566 2HE2 GLN 566 6.520 0.345 14.784 114 H ALA 567 H ALA 567 4.571 1.554 9.944 115 HA ALA 567 HA ALA 567 6.593 0.484 8.411 116 HB1 ALA 567 1HB ALA 567 6.266 2.688 7.933 117 HB2 ALA 567 2HB ALA 567 6.123 3.152 9.629 118 HB3 ALA 567 3HB ALA 567 7.710 2.823 8.936 119 H GLN 568 H GLN 568 8.654 -0.180 8.731 120 HA GLN 568 HA GLN 568 9.698 -0.066 11.484 121 HB2 GLN 568 1HB GLN 568 10.221 -2.324 9.556 122 HB3 GLN 568 2HB GLN 568 10.579 -2.269 11.276 123 HG2 GLN 568 1HG GLN 568 8.017 -2.016 11.547 124 HG3 GLN 568 2HG GLN 568 7.958 -2.650 9.903 125 HE21 GLN 568 1HE2 GLN 568 8.809 -5.050 13.051 126 HE22 GLN 568 2HE2 GLN 568 8.653 -3.338 13.220 127 H ALA 569 H ALA 569 10.423 -0.068 8.046 128 HA ALA 569 HA ALA 569 13.245 0.405 8.475 129 HB1 ALA 569 1HB ALA 569 11.962 -0.792 6.469 130 HB2 ALA 569 2HB ALA 569 12.043 0.841 5.805 131 HB3 ALA 569 3HB ALA 569 13.525 0.000 6.262 132 H GLU 570 H GLU 570 13.976 2.260 6.680 133 HA GLU 570 HA GLU 570 13.110 4.710 7.951 134 HB2 GLU 570 1HB GLU 570 15.040 5.657 7.163 135 HB3 GLU 570 2HB GLU 570 15.526 3.966 7.163 136 HG2 GLU 570 1HG GLU 570 14.847 3.869 4.753 137 HG3 GLU 570 2HG GLU 570 14.641 5.619 4.815 138 H GLY 571 H GLY 571 12.729 3.085 4.880 139 HA2 GLY 571 1HA GLY 571 11.231 5.406 3.848 140 HA3 GLY 571 2HA GLY 571 11.946 4.147 2.852 141 H GLU 572 H GLU 572 10.250 3.286 5.752 142 HA GLU 572 HA GLU 572 8.112 2.136 4.093 143 HB2 GLU 572 1HB GLU 572 9.627 1.167 6.392 144 HB3 GLU 572 2HB GLU 572 7.890 0.998 6.610 145 HG2 GLU 572 1HG GLU 572 8.239 -0.960 5.569 146 HG3 GLU 572 2HG GLU 572 8.115 0.039 4.122 147 H ILE 573 H ILE 573 5.955 2.380 4.667 148 HA ILE 573 HA ILE 573 5.419 4.442 6.705 149 HB ILE 573 HB ILE 573 3.430 5.078 5.323 150 HG12 ILE 573 1HG1 ILE 573 4.625 3.980 2.872 151 HG13 ILE 573 2HG1 ILE 573 3.956 2.762 3.952 152 HG21 ILE 573 1HG2 ILE 573 4.790 6.306 3.598 153 HG22 ILE 573 2HG2 ILE 573 5.324 6.506 5.266 154 HG23 ILE 573 3HG2 ILE 573 6.196 5.418 4.187 155 HD11 ILE 573 1HD1 ILE 573 1.886 3.270 3.356 156 HD12 ILE 573 2HD1 ILE 573 2.152 4.991 3.635 157 HD13 ILE 573 3HD1 ILE 573 2.582 4.273 2.083 158 H SER 574 H SER 574 3.125 4.391 7.507 159 HA SER 574 HA SER 574 2.476 1.665 8.255 160 HB2 SER 574 1HB SER 574 1.338 2.557 10.049 161 HB3 SER 574 2HB SER 574 2.484 3.862 9.743 162 HG SER 574 HG SER 574 0.719 5.013 9.634 163 H LEU 575 H LEU 575 -0.024 1.273 8.484 164 HA LEU 575 HA LEU 575 -1.443 2.222 6.106 165 HB2 LEU 575 1HB LEU 575 -0.570 -0.539 6.670 166 HB3 LEU 575 2HB LEU 575 -2.228 -0.354 6.104 167 HG LEU 575 HG LEU 575 -1.038 1.084 4.223 168 HD11 LEU 575 1HD1 LEU 575 1.190 0.652 5.429 169 HD12 LEU 575 2HD1 LEU 575 1.131 0.447 3.679 170 HD13 LEU 575 3HD1 LEU 575 1.085 -0.965 4.733 171 HD21 LEU 575 1HD2 LEU 575 -1.948 -0.557 3.044 172 HD22 LEU 575 2HD2 LEU 575 -1.995 -1.581 4.480 173 HD23 LEU 575 3HD2 LEU 575 -0.576 -1.595 3.430 174 H SER 576 H SER 576 -3.781 1.358 6.157 175 HA SER 576 HA SER 576 -4.786 1.032 8.882 176 HB2 SER 576 1HB SER 576 -5.229 3.395 7.134 177 HB3 SER 576 2HB SER 576 -6.626 2.789 8.023 178 HG SER 576 HG SER 576 -4.125 3.381 9.221 179 H LYS 577 H LYS 577 -6.187 -0.585 8.913 180 HA LYS 577 HA LYS 577 -7.044 -2.012 6.703 181 HB2 LYS 577 1HB LYS 577 -7.133 -2.525 9.287 182 HB3 LYS 577 2HB LYS 577 -8.775 -1.914 9.139 183 HG2 LYS 577 1HG LYS 577 -7.789 -4.036 7.280 184 HG3 LYS 577 2HG LYS 577 -8.330 -4.449 8.908 185 HD2 LYS 577 1HD LYS 577 -10.374 -2.891 8.143 186 HD3 LYS 577 2HD LYS 577 -9.877 -3.511 6.567 187 HE2 LYS 577 1HE LYS 577 -10.435 -5.668 7.090 188 HE3 LYS 577 2HE LYS 577 -10.155 -5.438 8.814 189 HZ1 LYS 577 1HZ LYS 577 -12.198 -4.045 8.836 190 HZ2 LYS 577 2HZ LYS 577 -12.478 -5.675 8.478 191 HZ3 LYS 577 3HZ LYS 577 -12.495 -4.522 7.240 192 H GLY 578 H GLY 578 -8.479 -1.620 5.153 193 HA2 GLY 578 1HA GLY 578 -10.589 -1.015 4.299 194 HA3 GLY 578 2HA GLY 578 -10.883 -0.078 5.756 195 H GLU 579 H GLU 579 -7.931 0.893 5.100 196 HA GLU 579 HA GLU 579 -8.819 3.323 3.840 197 HB2 GLU 579 1HB GLU 579 -6.920 2.855 5.665 198 HB3 GLU 579 2HB GLU 579 -5.922 2.774 4.220 199 HG2 GLU 579 1HG GLU 579 -5.953 5.009 5.240 200 HG3 GLU 579 2HG GLU 579 -6.564 5.001 3.586 201 H LYS 580 H LYS 580 -8.522 3.973 1.784 202 HA LYS 580 HA LYS 580 -7.775 2.004 -0.170 203 HB2 LYS 580 1HB LYS 580 -9.582 3.882 -0.323 204 HB3 LYS 580 2HB LYS 580 -8.233 4.900 -0.808 205 HG2 LYS 580 1HG LYS 580 -9.264 4.113 -2.787 206 HG3 LYS 580 2HG LYS 580 -7.744 3.234 -2.615 207 HD2 LYS 580 1HD LYS 580 -9.429 1.666 -3.263 208 HD3 LYS 580 2HD LYS 580 -9.034 1.365 -1.568 209 HE2 LYS 580 1HE LYS 580 -11.448 1.287 -1.957 210 HE3 LYS 580 2HE LYS 580 -11.010 2.608 -0.874 211 HZ1 LYS 580 1HZ LYS 580 -11.223 4.159 -2.677 212 HZ2 LYS 580 2HZ LYS 580 -12.649 3.259 -2.560 213 HZ3 LYS 580 3HZ LYS 580 -11.530 2.915 -3.780 214 H ILE 581 H ILE 581 -5.720 1.566 -0.603 215 HA ILE 581 HA ILE 581 -3.711 3.684 -0.349 216 HB ILE 581 HB ILE 581 -3.037 0.822 -0.920 217 HG12 ILE 581 1HG1 ILE 581 -4.586 0.672 0.937 218 HG13 ILE 581 2HG1 ILE 581 -2.947 0.430 1.538 219 HG21 ILE 581 1HG2 ILE 581 -1.684 3.217 0.210 220 HG22 ILE 581 2HG2 ILE 581 -1.166 1.622 0.754 221 HG23 ILE 581 3HG2 ILE 581 -1.098 2.033 -0.958 222 HD11 ILE 581 1HD1 ILE 581 -4.899 2.370 2.315 223 HD12 ILE 581 2HD1 ILE 581 -3.339 1.993 3.046 224 HD13 ILE 581 3HD1 ILE 581 -3.439 3.176 1.741 225 H LYS 582 H LYS 582 -2.567 4.450 -2.040 226 HA LYS 582 HA LYS 582 -3.181 3.328 -4.694 227 HB2 LYS 582 1HB LYS 582 -4.086 5.558 -4.469 228 HB3 LYS 582 2HB LYS 582 -2.543 6.170 -3.888 229 HG2 LYS 582 1HG LYS 582 -2.996 6.766 -6.230 230 HG3 LYS 582 2HG LYS 582 -1.531 5.802 -6.041 231 HD2 LYS 582 1HD LYS 582 -2.642 3.833 -6.816 232 HD3 LYS 582 2HD LYS 582 -4.211 4.642 -6.787 233 HE2 LYS 582 1HE LYS 582 -3.603 6.055 -8.602 234 HE3 LYS 582 2HE LYS 582 -1.919 5.541 -8.520 235 HZ1 LYS 582 1HZ LYS 582 -2.346 3.654 -9.640 236 HZ2 LYS 582 2HZ LYS 582 -3.673 4.521 -10.227 237 HZ3 LYS 582 3HZ LYS 582 -3.872 3.433 -8.947 238 H VAL 583 H VAL 583 -1.522 2.128 -5.360 239 HA VAL 583 HA VAL 583 1.151 2.474 -4.459 240 HB VAL 583 HB VAL 583 0.326 0.285 -5.164 241 HG11 VAL 583 1HG1 VAL 583 -0.218 -0.259 -7.402 242 HG12 VAL 583 2HG1 VAL 583 -1.103 1.219 -7.025 243 HG13 VAL 583 3HG1 VAL 583 0.366 1.295 -7.997 244 HG21 VAL 583 1HG2 VAL 583 2.650 0.383 -5.235 245 HG22 VAL 583 2HG2 VAL 583 2.224 -0.228 -6.835 246 HG23 VAL 583 3HG2 VAL 583 2.659 1.469 -6.625 247 H LEU 584 H LEU 584 2.621 3.874 -5.139 248 HA LEU 584 HA LEU 584 2.213 5.204 -7.729 249 HB2 LEU 584 1HB LEU 584 3.928 6.071 -5.408 250 HB3 LEU 584 2HB LEU 584 3.609 6.992 -6.876 251 HG LEU 584 HG LEU 584 1.544 6.262 -4.799 252 HD11 LEU 584 1HD1 LEU 584 1.750 8.367 -3.892 253 HD12 LEU 584 2HD1 LEU 584 2.514 9.033 -5.335 254 HD13 LEU 584 3HD1 LEU 584 3.431 7.978 -4.261 255 HD21 LEU 584 1HD2 LEU 584 1.436 7.874 -7.336 256 HD22 LEU 584 2HD2 LEU 584 0.234 8.025 -6.055 257 HD23 LEU 584 3HD2 LEU 584 0.453 6.481 -6.880 258 H SER 585 H SER 585 4.301 3.103 -5.987 259 HA SER 585 HA SER 585 6.038 2.900 -8.321 260 HB2 SER 585 1HB SER 585 6.834 4.191 -5.892 261 HB3 SER 585 2HB SER 585 7.754 2.697 -6.067 262 HG SER 585 HG SER 585 8.366 4.879 -7.195 263 H ILE 586 H ILE 586 7.541 0.987 -8.102 264 HA ILE 586 HA ILE 586 6.552 -1.099 -6.316 265 HB ILE 586 HB ILE 586 6.515 -2.716 -8.271 266 HG12 ILE 586 1HG1 ILE 586 6.161 -0.189 -9.888 267 HG13 ILE 586 2HG1 ILE 586 7.665 -1.101 -9.833 268 HG21 ILE 586 1HG2 ILE 586 4.546 -1.232 -7.111 269 HG22 ILE 586 2HG2 ILE 586 4.300 -0.885 -8.821 270 HG23 ILE 586 3HG2 ILE 586 4.279 -2.553 -8.248 271 HD11 ILE 586 1HD1 ILE 586 5.571 -1.459 -11.598 272 HD12 ILE 586 2HD1 ILE 586 6.925 -2.557 -11.331 273 HD13 ILE 586 3HD1 ILE 586 5.411 -2.796 -10.459 274 H GLY 587 H GLY 587 7.913 -3.140 -6.571 275 HA2 GLY 587 1HA GLY 587 10.624 -2.612 -7.530 276 HA3 GLY 587 2HA GLY 587 10.430 -2.935 -5.813 277 H GLU 588 H GLU 588 10.379 -4.995 -5.132 278 HA GLU 588 HA GLU 588 9.960 -7.107 -7.133 279 HB2 GLU 588 1HB GLU 588 12.429 -6.603 -6.478 280 HB3 GLU 588 2HB GLU 588 12.021 -7.418 -4.975 281 HG2 GLU 588 1HG GLU 588 13.083 -8.897 -6.630 282 HG3 GLU 588 2HG GLU 588 11.477 -9.436 -6.147 283 H GLY 589 H GLY 589 9.534 -9.257 -6.114 284 HA2 GLY 589 1HA GLY 589 8.161 -10.539 -4.791 285 HA3 GLY 589 2HA GLY 589 8.898 -9.671 -3.452 286 H GLY 590 H GLY 590 6.997 -9.631 -2.242 287 HA2 GLY 590 1HA GLY 590 4.652 -8.332 -3.399 288 HA3 GLY 590 2HA GLY 590 4.739 -9.117 -1.830 289 H PHE 591 H PHE 591 6.900 -6.637 -3.124 290 HA PHE 591 HA PHE 591 5.912 -4.799 -1.045 291 HB2 PHE 591 1HB PHE 591 8.474 -5.959 -1.213 292 HB3 PHE 591 2HB PHE 591 8.667 -4.280 -1.705 293 HD1 PHE 591 1HD PHE 591 8.406 -2.492 -0.147 294 HD2 PHE 591 2HD PHE 591 7.647 -6.513 1.026 295 HE1 PHE 591 1HE PHE 591 8.383 -1.796 2.213 296 HE2 PHE 591 2HE PHE 591 7.622 -5.823 3.387 297 HZ PHE 591 HZ PHE 591 7.990 -3.463 3.984 298 H TRP 592 H TRP 592 5.652 -2.683 -1.607 299 HA TRP 592 HA TRP 592 6.748 -1.589 -4.021 300 HB2 TRP 592 1HB TRP 592 4.579 -1.135 -5.117 301 HB3 TRP 592 2HB TRP 592 4.912 -2.860 -4.998 302 HD1 TRP 592 HD TRP 592 3.885 -2.039 -1.660 303 HE1 TRP 592 1HE TRP 592 1.373 -2.451 -1.286 304 HE3 TRP 592 3HE TRP 592 2.387 -2.400 -6.535 305 HZ2 TRP 592 2HZ TRP 592 -0.937 -2.877 -2.851 306 HZ3 TRP 592 3HZ TRP 592 0.009 -2.812 -7.011 307 HH2 TRP 592 HH TRP 592 -1.618 -3.046 -5.205 308 H GLU 593 H GLU 593 5.803 0.667 -4.417 309 HA GLU 593 HA GLU 593 5.509 1.964 -1.803 310 HB2 GLU 593 1HB GLU 593 6.999 2.577 -4.165 311 HB3 GLU 593 2HB GLU 593 5.860 3.881 -3.865 312 HG2 GLU 593 1HG GLU 593 7.231 3.021 -1.456 313 HG3 GLU 593 2HG GLU 593 8.336 3.580 -2.710 314 H GLY 594 H GLY 594 3.816 3.300 -1.315 315 HA2 GLY 594 1HA GLY 594 1.866 3.995 -3.354 316 HA3 GLY 594 2HA GLY 594 1.300 2.873 -2.126 317 H GLN 595 H GLN 595 -0.235 4.801 -1.940 318 HA GLN 595 HA GLN 595 0.809 6.565 0.167 319 HB2 GLN 595 1HB GLN 595 0.710 7.985 -1.733 320 HB3 GLN 595 2HB GLN 595 -0.850 7.341 -2.225 321 HG2 GLN 595 1HG GLN 595 -0.755 8.601 0.434 322 HG3 GLN 595 2HG GLN 595 -0.530 9.675 -0.946 323 HE21 GLN 595 1HE2 GLN 595 -4.079 9.786 -0.455 324 HE22 GLN 595 2HE2 GLN 595 -2.608 10.426 0.186 325 H VAL 596 H VAL 596 -0.464 6.778 1.922 326 HA VAL 596 HA VAL 596 -3.225 5.777 1.769 327 HB VAL 596 HB VAL 596 -1.913 3.988 2.747 328 HG11 VAL 596 1HG1 VAL 596 -0.132 4.366 4.019 329 HG12 VAL 596 2HG1 VAL 596 -0.440 6.099 3.897 330 HG13 VAL 596 3HG1 VAL 596 -1.130 5.170 5.229 331 HG21 VAL 596 1HG2 VAL 596 -3.123 5.000 5.220 332 HG22 VAL 596 2HG2 VAL 596 -4.181 5.050 3.810 333 HG23 VAL 596 3HG2 VAL 596 -3.456 3.524 4.314 334 H LYS 597 H LYS 597 -4.532 7.391 2.289 335 HA LYS 597 HA LYS 597 -5.202 9.446 3.092 336 HB2 LYS 597 1HB LYS 597 -5.228 9.417 5.643 337 HB3 LYS 597 2HB LYS 597 -6.053 8.098 4.825 338 HG2 LYS 597 1HG LYS 597 -4.902 6.998 6.486 339 HG3 LYS 597 2HG LYS 597 -3.804 6.843 5.114 340 HD2 LYS 597 1HD LYS 597 -2.565 7.468 7.101 341 HD3 LYS 597 2HD LYS 597 -2.541 8.794 5.935 342 HE2 LYS 597 1HE LYS 597 -3.241 10.107 7.594 343 HE3 LYS 597 2HE LYS 597 -4.796 9.286 7.465 344 HZ1 LYS 597 1HZ LYS 597 -2.780 7.934 9.057 345 HZ2 LYS 597 2HZ LYS 597 -4.438 8.123 9.340 346 HZ3 LYS 597 3HZ LYS 597 -3.369 9.384 9.703 347 H GLY 598 H GLY 598 -2.497 9.532 2.188 348 HA2 GLY 598 1HA GLY 598 -1.271 11.648 2.296 349 HA3 GLY 598 2HA GLY 598 -1.435 11.571 4.043 350 H ARG 599 H ARG 599 -0.668 9.074 4.685 351 HA ARG 599 HA ARG 599 2.117 9.203 4.640 352 HB2 ARG 599 1HB ARG 599 0.098 7.194 5.451 353 HB3 ARG 599 2HB ARG 599 1.718 6.583 5.148 354 HG2 ARG 599 1HG ARG 599 2.282 8.724 6.692 355 HG3 ARG 599 2HG ARG 599 0.706 8.257 7.336 356 HD2 ARG 599 1HD ARG 599 1.462 6.134 7.957 357 HD3 ARG 599 2HD ARG 599 2.873 6.230 6.903 358 HE ARG 599 HE ARG 599 2.662 7.184 9.592 359 HH11 ARG 599 1HH1 ARG 599 5.640 8.441 7.229 360 HH12 ARG 599 2HH1 ARG 599 4.245 7.686 6.532 361 HH21 ARG 599 1HH2 ARG 599 5.780 8.718 9.500 362 HH22 ARG 599 2HH2 ARG 599 4.492 8.176 10.522 363 H VAL 600 H VAL 600 3.249 9.185 2.795 364 HA VAL 600 HA VAL 600 2.667 7.066 0.831 365 HB VAL 600 HB VAL 600 4.130 9.646 0.277 366 HG11 VAL 600 1HG1 VAL 600 4.526 7.655 -1.205 367 HG12 VAL 600 2HG1 VAL 600 2.820 7.739 -1.650 368 HG13 VAL 600 3HG1 VAL 600 3.897 9.086 -2.020 369 HG21 VAL 600 1HG2 VAL 600 2.166 10.688 0.350 370 HG22 VAL 600 2HG2 VAL 600 1.665 9.705 -1.027 371 HG23 VAL 600 3HG2 VAL 600 1.305 9.172 0.615 372 H GLY 601 H GLY 601 4.113 5.485 0.738 373 HA2 GLY 601 1HA GLY 601 6.905 5.923 0.596 374 HA3 GLY 601 2HA GLY 601 6.474 5.390 2.214 375 H TRP 602 H TRP 602 7.620 3.453 1.992 376 HA TRP 602 HA TRP 602 6.646 1.581 -0.047 377 HB2 TRP 602 1HB TRP 602 9.057 1.402 1.773 378 HB3 TRP 602 2HB TRP 602 8.621 0.222 0.540 379 HD1 TRP 602 HD TRP 602 9.233 4.069 0.554 380 HE1 TRP 602 1HE TRP 602 10.641 4.643 -1.521 381 HE3 TRP 602 3HE TRP 602 9.678 -0.615 -1.445 382 HZ2 TRP 602 2HZ TRP 602 11.790 3.289 -3.717 383 HZ3 TRP 602 3HZ TRP 602 10.947 -0.890 -3.535 384 HH2 TRP 602 HH TRP 602 11.980 1.023 -4.646 385 H PHE 603 H PHE 603 5.973 -0.525 0.514 386 HA PHE 603 HA PHE 603 5.796 -1.501 3.144 387 HB2 PHE 603 1HB PHE 603 3.448 -1.204 3.638 388 HB3 PHE 603 2HB PHE 603 4.170 0.376 3.354 389 HD1 PHE 603 1HD PHE 603 3.560 1.695 1.439 390 HD2 PHE 603 2HD PHE 603 1.896 -2.175 2.043 391 HE1 PHE 603 1HE PHE 603 1.848 2.171 -0.262 392 HE2 PHE 603 2HE PHE 603 0.181 -1.706 0.341 393 HZ PHE 603 HZ PHE 603 0.157 0.469 -0.815 394 HA PRO 604 HA PRO 604 4.861 -5.189 0.959 395 HB2 PRO 604 1HB PRO 604 3.506 -6.607 2.837 396 HB3 PRO 604 2HB PRO 604 5.248 -6.318 2.924 397 HG2 PRO 604 1HG PRO 604 3.019 -4.896 4.331 398 HG3 PRO 604 2HG PRO 604 4.586 -5.427 4.968 399 HD2 PRO 604 1HD PRO 604 4.099 -2.863 4.246 400 HD3 PRO 604 2HD PRO 604 5.701 -3.612 4.087 401 H SER 605 H SER 605 3.396 -5.660 -0.549 402 HA SER 605 HA SER 605 0.826 -4.428 -0.566 403 HB2 SER 605 1HB SER 605 0.774 -5.011 -2.758 404 HB3 SER 605 2HB SER 605 2.477 -5.390 -2.509 405 HG SER 605 HG SER 605 0.927 -7.052 -3.453 406 H ASP 606 H ASP 606 1.975 -7.169 0.952 407 HA ASP 606 HA ASP 606 -0.074 -9.038 0.648 408 HB2 ASP 606 1HB ASP 606 2.221 -9.170 1.913 409 HB3 ASP 606 2HB ASP 606 1.263 -8.662 3.302 410 H CYS 607 H CYS 607 0.019 -6.059 2.404 411 HA CYS 607 HA CYS 607 -2.396 -6.705 3.904 412 HB2 CYS 607 1HB CYS 607 -0.928 -4.071 3.908 413 HB3 CYS 607 2HB CYS 607 -2.020 -4.704 5.133 414 HG CYS 607 HG CYS 607 0.303 -6.904 4.973 415 H LEU 608 H LEU 608 -1.918 -5.957 0.855 416 HA LEU 608 HA LEU 608 -4.173 -4.064 0.708 417 HB2 LEU 608 1HB LEU 608 -1.642 -4.269 -0.774 418 HB3 LEU 608 2HB LEU 608 -3.066 -3.957 -1.764 419 HG LEU 608 HG LEU 608 -1.721 -1.942 -0.995 420 HD11 LEU 608 1HD1 LEU 608 -3.597 -0.966 -1.660 421 HD12 LEU 608 2HD1 LEU 608 -4.206 -1.101 -0.010 422 HD13 LEU 608 3HD1 LEU 608 -4.550 -2.373 -1.184 423 HD21 LEU 608 1HD2 LEU 608 -3.203 -2.009 1.559 424 HD22 LEU 608 2HD2 LEU 608 -1.625 -1.320 1.178 425 HD23 LEU 608 3HD2 LEU 608 -1.790 -3.057 1.440 426 H GLU 609 H GLU 609 -5.528 -4.303 -1.270 427 HA GLU 609 HA GLU 609 -5.547 -6.874 -2.571 428 HB2 GLU 609 1HB GLU 609 -7.462 -6.198 -0.389 429 HB3 GLU 609 2HB GLU 609 -8.082 -7.062 -1.789 430 HG2 GLU 609 1HG GLU 609 -6.019 -8.619 -1.342 431 HG3 GLU 609 2HG GLU 609 -6.142 -7.948 0.282 432 H GLU 610 H GLU 610 -6.654 -6.847 -4.485 433 HA GLU 610 HA GLU 610 -7.138 -4.413 -5.741 434 HB2 GLU 610 1HB GLU 610 -7.397 -7.215 -6.393 435 HB3 GLU 610 2HB GLU 610 -8.742 -6.302 -7.062 436 HG2 GLU 610 1HG GLU 610 -6.754 -4.694 -7.802 437 HG3 GLU 610 2HG GLU 610 -5.867 -6.216 -7.735 438 H VAL 611 H VAL 611 -9.019 -3.308 -6.321 439 HA VAL 611 HA VAL 611 -11.574 -4.152 -5.241 440 HB VAL 611 HB VAL 611 -11.903 -1.890 -4.132 441 HG11 VAL 611 1HG1 VAL 611 -9.803 -3.524 -2.747 442 HG12 VAL 611 2HG1 VAL 611 -11.199 -2.692 -2.055 443 HG13 VAL 611 3HG1 VAL 611 -11.429 -4.153 -3.016 444 HG21 VAL 611 1HG2 VAL 611 -8.919 -1.817 -3.888 445 HG22 VAL 611 2HG2 VAL 611 -9.729 -1.027 -5.241 446 HG23 VAL 611 3HG2 VAL 611 -10.096 -0.537 -3.586 447 H ALA 612 H ALA 612 -13.265 -2.363 -5.716 448 HA ALA 612 HA ALA 612 -12.790 -1.463 -8.469 449 HB1 ALA 612 1HB ALA 612 -15.494 -1.117 -7.869 450 HB2 ALA 612 2HB ALA 612 -14.769 -2.402 -8.836 451 HB3 ALA 612 3HB ALA 612 -15.037 -2.643 -7.109 452 H ASN 613 H ASN 613 -13.292 0.637 -9.130 453 HA ASN 613 HA ASN 613 -13.090 2.624 -7.014 454 HB2 ASN 613 1HB ASN 613 -11.642 2.707 -9.067 455 HB3 ASN 613 2HB ASN 613 -13.087 3.065 -10.005 456 HD21 ASN 613 1HD2 ASN 613 -11.827 5.866 -7.294 457 HD22 ASN 613 2HD2 ASN 613 -11.682 4.182 -6.940 Start of MODEL 4 1 H1 MET 553 H MET 553 7.441 -0.338 -12.939 2 HA MET 553 HA MET 553 6.206 0.882 -15.266 3 HB2 MET 553 1HB MET 553 5.041 -1.524 -13.866 4 HB3 MET 553 2HB MET 553 4.088 -0.449 -14.881 5 HG2 MET 553 1HG MET 553 6.544 -1.875 -15.858 6 HG3 MET 553 2HG MET 553 4.922 -2.552 -15.972 7 HE1 MET 553 1HE MET 553 4.854 -1.723 -19.601 8 HE2 MET 553 2HE MET 553 5.423 -2.902 -18.417 9 HE3 MET 553 3HE MET 553 3.745 -2.355 -18.383 10 H VAL 554 H VAL 554 3.985 1.791 -14.632 11 HA VAL 554 HA VAL 554 3.625 2.360 -11.822 12 HB VAL 554 HB VAL 554 5.271 4.044 -12.289 13 HG11 VAL 554 1HG1 VAL 554 5.540 4.720 -14.393 14 HG12 VAL 554 2HG1 VAL 554 3.931 4.157 -14.848 15 HG13 VAL 554 3HG1 VAL 554 4.141 5.767 -14.158 16 HG21 VAL 554 1HG2 VAL 554 2.754 5.630 -12.476 17 HG22 VAL 554 2HG2 VAL 554 2.999 4.573 -11.087 18 HG23 VAL 554 3HG2 VAL 554 4.156 5.859 -11.431 19 HA PRO 555 HA PRO 555 -0.258 2.220 -14.335 20 HB2 PRO 555 1HB PRO 555 -1.605 0.658 -12.570 21 HB3 PRO 555 2HB PRO 555 -0.556 -0.001 -13.831 22 HG2 PRO 555 1HG PRO 555 0.022 0.445 -10.927 23 HG3 PRO 555 2HG PRO 555 0.428 -0.947 -11.949 24 HD2 PRO 555 1HD PRO 555 2.227 0.977 -11.323 25 HD3 PRO 555 2HD PRO 555 2.261 0.104 -12.869 26 H GLY 556 H GLY 556 -2.598 2.524 -13.341 27 HA2 GLY 556 1HA GLY 556 -2.424 4.534 -11.184 28 HA3 GLY 556 2HA GLY 556 -3.349 4.840 -12.647 29 H ARG 557 H ARG 557 -3.097 1.966 -10.565 30 HA ARG 557 HA ARG 557 -6.023 1.888 -10.457 31 HB2 ARG 557 1HB ARG 557 -4.676 -0.121 -11.204 32 HB3 ARG 557 2HB ARG 557 -4.096 -0.249 -9.548 33 HG2 ARG 557 1HG ARG 557 -6.180 -0.852 -8.728 34 HG3 ARG 557 2HG ARG 557 -7.028 -0.202 -10.131 35 HD2 ARG 557 1HD ARG 557 -5.549 -2.050 -11.361 36 HD3 ARG 557 2HD ARG 557 -5.655 -2.803 -9.770 37 HE ARG 557 HE ARG 557 -8.223 -2.146 -10.321 38 HH11 ARG 557 1HH1 ARG 557 -6.902 -4.933 -12.874 39 HH12 ARG 557 2HH1 ARG 557 -5.771 -3.904 -12.057 40 HH21 ARG 557 1HH2 ARG 557 -9.149 -4.696 -12.494 41 HH22 ARG 557 2HH2 ARG 557 -9.722 -3.492 -11.389 42 H SER 558 H SER 558 -7.094 1.412 -8.441 43 HA SER 558 HA SER 558 -5.616 2.450 -6.111 44 HB2 SER 558 1HB SER 558 -7.946 3.107 -5.279 45 HB3 SER 558 2HB SER 558 -7.297 4.042 -6.626 46 HG SER 558 HG SER 558 -9.450 3.426 -7.018 47 H PHE 559 H PHE 559 -5.094 0.823 -4.810 48 HA PHE 559 HA PHE 559 -6.922 -1.452 -4.545 49 HB2 PHE 559 1HB PHE 559 -4.007 -1.068 -3.890 50 HB3 PHE 559 2HB PHE 559 -4.919 -2.444 -3.279 51 HD1 PHE 559 1HD PHE 559 -5.179 -4.350 -4.578 52 HD2 PHE 559 2HD PHE 559 -3.962 -0.713 -6.420 53 HE1 PHE 559 1HE PHE 559 -4.766 -5.558 -6.681 54 HE2 PHE 559 2HE PHE 559 -3.546 -1.913 -8.526 55 HZ PHE 559 HZ PHE 559 -3.950 -4.339 -8.660 56 H MET 560 H MET 560 -7.407 -2.310 -2.434 57 HA MET 560 HA MET 560 -7.485 -0.206 -0.377 58 HB2 MET 560 1HB MET 560 -9.689 -0.928 -1.207 59 HB3 MET 560 2HB MET 560 -9.320 -2.583 -0.739 60 HG2 MET 560 1HG MET 560 -8.980 -1.575 1.621 61 HG3 MET 560 2HG MET 560 -9.905 -0.217 0.984 62 HE1 MET 560 1HE MET 560 -11.076 -4.545 1.307 63 HE2 MET 560 2HE MET 560 -9.536 -3.765 1.666 64 HE3 MET 560 3HE MET 560 -10.812 -3.802 2.884 65 H ALA 561 H ALA 561 -6.812 -0.633 1.685 66 HA ALA 561 HA ALA 561 -5.095 -2.941 2.016 67 HB1 ALA 561 1HB ALA 561 -5.221 -1.489 4.423 68 HB2 ALA 561 2HB ALA 561 -3.935 -1.480 3.216 69 HB3 ALA 561 3HB ALA 561 -5.246 -0.305 3.116 70 H VAL 562 H VAL 562 -5.773 -4.799 2.836 71 HA VAL 562 HA VAL 562 -8.327 -4.975 4.184 72 HB VAL 562 HB VAL 562 -7.917 -7.410 4.197 73 HG11 VAL 562 1HG1 VAL 562 -7.761 -5.805 1.691 74 HG12 VAL 562 2HG1 VAL 562 -7.631 -7.563 1.591 75 HG13 VAL 562 3HG1 VAL 562 -9.067 -6.823 2.300 76 HG21 VAL 562 1HG2 VAL 562 -5.212 -6.521 3.555 77 HG22 VAL 562 2HG2 VAL 562 -5.768 -8.038 4.263 78 HG23 VAL 562 3HG2 VAL 562 -5.794 -7.819 2.513 79 H LYS 563 H LYS 563 -5.175 -4.398 5.125 80 HA LYS 563 HA LYS 563 -5.840 -4.749 7.908 81 HB2 LYS 563 1HB LYS 563 -3.629 -6.076 8.239 82 HB3 LYS 563 2HB LYS 563 -5.078 -6.936 7.737 83 HG2 LYS 563 1HG LYS 563 -4.254 -7.417 5.688 84 HG3 LYS 563 2HG LYS 563 -3.336 -5.913 5.581 85 HD2 LYS 563 1HD LYS 563 -1.810 -7.781 5.729 86 HD3 LYS 563 2HD LYS 563 -1.718 -6.830 7.214 87 HE2 LYS 563 1HE LYS 563 -2.938 -8.429 8.435 88 HE3 LYS 563 2HE LYS 563 -3.492 -9.244 6.973 89 HZ1 LYS 563 1HZ LYS 563 -1.541 -10.209 8.394 90 HZ2 LYS 563 2HZ LYS 563 -0.611 -9.118 7.497 91 HZ3 LYS 563 3HZ LYS 563 -1.510 -10.311 6.705 92 H SER 564 H SER 564 -4.487 -3.585 9.298 93 HA SER 564 HA SER 564 -3.109 -1.398 8.053 94 HB2 SER 564 1HB SER 564 -2.969 -1.938 10.997 95 HB3 SER 564 2HB SER 564 -3.092 -0.396 10.149 96 HG SER 564 HG SER 564 -5.049 -1.145 11.236 97 H TYR 565 H TYR 565 -0.912 -0.730 8.810 98 HA TYR 565 HA TYR 565 0.861 -2.922 9.539 99 HB2 TYR 565 1HB TYR 565 0.791 -3.046 7.097 100 HB3 TYR 565 2HB TYR 565 1.200 -1.337 6.985 101 HD1 TYR 565 1HD TYR 565 2.509 -4.564 8.320 102 HD2 TYR 565 2HD TYR 565 3.429 -0.702 6.790 103 HE1 TYR 565 1HE TYR 565 4.898 -5.147 8.301 104 HE2 TYR 565 2HE TYR 565 5.821 -1.274 6.767 105 HH TYR 565 HH TYR 565 6.982 -4.329 6.953 106 H GLN 566 H GLN 566 2.820 -2.259 10.431 107 HA GLN 566 HA GLN 566 2.975 0.617 11.037 108 HB2 GLN 566 1HB GLN 566 2.633 -1.247 12.875 109 HB3 GLN 566 2HB GLN 566 4.373 -1.431 12.703 110 HG2 GLN 566 1HG GLN 566 4.295 0.091 14.391 111 HG3 GLN 566 2HG GLN 566 4.359 1.175 13.002 112 HE21 GLN 566 1HE2 GLN 566 1.721 2.755 14.719 113 HE22 GLN 566 2HE2 GLN 566 3.428 2.741 14.455 114 H ALA 567 H ALA 567 4.495 1.600 9.889 115 HA ALA 567 HA ALA 567 6.498 0.452 8.393 116 HB1 ALA 567 1HB ALA 567 6.480 2.592 7.767 117 HB2 ALA 567 2HB ALA 567 5.858 3.129 9.328 118 HB3 ALA 567 3HB ALA 567 7.589 2.879 9.109 119 H GLN 568 H GLN 568 8.500 -0.321 8.752 120 HA GLN 568 HA GLN 568 9.562 -0.123 11.493 121 HB2 GLN 568 1HB GLN 568 10.075 -2.408 9.593 122 HB3 GLN 568 2HB GLN 568 10.433 -2.334 11.314 123 HG2 GLN 568 1HG GLN 568 7.922 -2.126 11.662 124 HG3 GLN 568 2HG GLN 568 7.767 -2.616 9.975 125 HE21 GLN 568 1HE2 GLN 568 8.225 -5.355 12.804 126 HE22 GLN 568 2HE2 GLN 568 7.834 -3.696 13.086 127 H ALA 569 H ALA 569 10.224 0.046 8.078 128 HA ALA 569 HA ALA 569 13.078 0.390 8.474 129 HB1 ALA 569 1HB ALA 569 11.755 0.919 5.859 130 HB2 ALA 569 2HB ALA 569 13.313 0.167 6.206 131 HB3 ALA 569 3HB ALA 569 11.821 -0.737 6.462 132 H GLU 570 H GLU 570 13.755 2.304 6.659 133 HA GLU 570 HA GLU 570 12.933 4.724 8.054 134 HB2 GLU 570 1HB GLU 570 14.906 5.670 7.366 135 HB3 GLU 570 2HB GLU 570 15.368 3.974 7.362 136 HG2 GLU 570 1HG GLU 570 14.823 3.916 4.924 137 HG3 GLU 570 2HG GLU 570 14.604 5.665 4.996 138 H GLY 571 H GLY 571 12.654 3.205 4.918 139 HA2 GLY 571 1HA GLY 571 11.291 5.597 3.870 140 HA3 GLY 571 2HA GLY 571 11.953 4.294 2.893 141 H GLU 572 H GLU 572 10.456 2.897 5.482 142 HA GLU 572 HA GLU 572 8.183 2.131 3.849 143 HB2 GLU 572 1HB GLU 572 9.526 1.084 6.271 144 HB3 GLU 572 2HB GLU 572 7.792 0.806 6.169 145 HG2 GLU 572 1HG GLU 572 8.739 -1.092 5.220 146 HG3 GLU 572 2HG GLU 572 8.246 -0.115 3.838 147 H ILE 573 H ILE 573 5.996 2.212 4.612 148 HA ILE 573 HA ILE 573 5.508 4.297 6.636 149 HB ILE 573 HB ILE 573 3.504 4.973 5.284 150 HG12 ILE 573 1HG1 ILE 573 4.702 3.923 2.807 151 HG13 ILE 573 2HG1 ILE 573 3.996 2.698 3.854 152 HG21 ILE 573 1HG2 ILE 573 4.860 6.245 3.589 153 HG22 ILE 573 2HG2 ILE 573 5.398 6.402 5.259 154 HG23 ILE 573 3HG2 ILE 573 6.267 5.343 4.150 155 HD11 ILE 573 1HD1 ILE 573 2.689 4.374 2.029 156 HD12 ILE 573 2HD1 ILE 573 1.968 3.231 3.161 157 HD13 ILE 573 3HD1 ILE 573 2.206 4.912 3.636 158 H SER 574 H SER 574 3.245 4.241 7.488 159 HA SER 574 HA SER 574 2.568 1.501 8.155 160 HB2 SER 574 1HB SER 574 1.768 4.196 9.206 161 HB3 SER 574 2HB SER 574 0.805 2.774 9.607 162 HG SER 574 HG SER 574 2.305 2.885 11.186 163 H LEU 575 H LEU 575 0.046 1.184 8.448 164 HA LEU 575 HA LEU 575 -1.397 2.216 6.123 165 HB2 LEU 575 1HB LEU 575 -0.613 -0.600 6.616 166 HB3 LEU 575 2HB LEU 575 -2.241 -0.313 6.001 167 HG LEU 575 HG LEU 575 -0.879 1.143 4.230 168 HD11 LEU 575 1HD1 LEU 575 1.228 0.233 3.675 169 HD12 LEU 575 2HD1 LEU 575 1.037 -1.099 4.814 170 HD13 LEU 575 3HD1 LEU 575 1.272 0.543 5.410 171 HD21 LEU 575 1HD2 LEU 575 -2.224 -1.275 4.253 172 HD22 LEU 575 2HD2 LEU 575 -0.676 -1.655 3.499 173 HD23 LEU 575 3HD2 LEU 575 -1.694 -0.382 2.826 174 H SER 576 H SER 576 -3.748 1.369 6.198 175 HA SER 576 HA SER 576 -4.697 1.004 8.940 176 HB2 SER 576 1HB SER 576 -5.182 3.386 7.222 177 HB3 SER 576 2HB SER 576 -6.546 2.779 8.161 178 HG SER 576 HG SER 576 -4.006 3.561 9.156 179 H LYS 577 H LYS 577 -6.100 -0.611 8.977 180 HA LYS 577 HA LYS 577 -7.012 -2.005 6.771 181 HB2 LYS 577 1HB LYS 577 -7.040 -2.578 9.330 182 HB3 LYS 577 2HB LYS 577 -8.667 -1.909 9.266 183 HG2 LYS 577 1HG LYS 577 -7.953 -3.935 7.228 184 HG3 LYS 577 2HG LYS 577 -8.162 -4.487 8.892 185 HD2 LYS 577 1HD LYS 577 -10.327 -2.848 8.550 186 HD3 LYS 577 2HD LYS 577 -10.147 -3.565 6.946 187 HE2 LYS 577 1HE LYS 577 -11.534 -5.074 8.026 188 HE3 LYS 577 2HE LYS 577 -9.942 -5.801 8.231 189 HZ1 LYS 577 1HZ LYS 577 -10.911 -5.918 10.326 190 HZ2 LYS 577 2HZ LYS 577 -11.577 -4.367 10.228 191 HZ3 LYS 577 3HZ LYS 577 -9.910 -4.560 10.438 192 H GLY 578 H GLY 578 -8.466 -1.575 5.249 193 HA2 GLY 578 1HA GLY 578 -10.579 -0.946 4.433 194 HA3 GLY 578 2HA GLY 578 -10.863 -0.051 5.917 195 H GLU 579 H GLU 579 -7.847 0.802 5.032 196 HA GLU 579 HA GLU 579 -8.773 3.319 3.929 197 HB2 GLU 579 1HB GLU 579 -6.878 2.866 5.717 198 HB3 GLU 579 2HB GLU 579 -5.876 2.688 4.283 199 HG2 GLU 579 1HG GLU 579 -5.820 4.957 5.226 200 HG3 GLU 579 2HG GLU 579 -6.410 4.916 3.567 201 H LYS 580 H LYS 580 -8.452 4.046 1.889 202 HA LYS 580 HA LYS 580 -7.798 2.103 -0.128 203 HB2 LYS 580 1HB LYS 580 -9.565 4.017 -0.207 204 HB3 LYS 580 2HB LYS 580 -8.204 5.026 -0.677 205 HG2 LYS 580 1HG LYS 580 -9.277 4.317 -2.666 206 HG3 LYS 580 2HG LYS 580 -7.765 3.414 -2.541 207 HD2 LYS 580 1HD LYS 580 -9.534 1.922 -3.227 208 HD3 LYS 580 2HD LYS 580 -9.028 1.510 -1.588 209 HE2 LYS 580 1HE LYS 580 -11.005 2.129 -0.679 210 HE3 LYS 580 2HE LYS 580 -11.231 3.460 -1.813 211 HZ1 LYS 580 1HZ LYS 580 -11.458 1.281 -3.392 212 HZ2 LYS 580 2HZ LYS 580 -12.757 2.139 -2.730 213 HZ3 LYS 580 3HZ LYS 580 -12.180 0.749 -1.959 214 H ILE 581 H ILE 581 -5.745 1.619 -0.546 215 HA ILE 581 HA ILE 581 -3.693 3.695 -0.301 216 HB ILE 581 HB ILE 581 -3.068 0.838 -0.931 217 HG12 ILE 581 1HG1 ILE 581 -4.621 0.651 0.915 218 HG13 ILE 581 2HG1 ILE 581 -2.989 0.384 1.520 219 HG21 ILE 581 1HG2 ILE 581 -1.135 2.091 -0.950 220 HG22 ILE 581 2HG2 ILE 581 -1.691 3.163 0.334 221 HG23 ILE 581 3HG2 ILE 581 -1.168 1.523 0.719 222 HD11 ILE 581 1HD1 ILE 581 -4.936 2.370 2.275 223 HD12 ILE 581 2HD1 ILE 581 -3.445 1.881 3.084 224 HD13 ILE 581 3HD1 ILE 581 -3.401 3.109 1.818 225 H LYS 582 H LYS 582 -2.557 4.466 -1.994 226 HA LYS 582 HA LYS 582 -3.214 3.385 -4.657 227 HB2 LYS 582 1HB LYS 582 -4.100 5.600 -4.463 228 HB3 LYS 582 2HB LYS 582 -2.596 6.207 -3.782 229 HG2 LYS 582 1HG LYS 582 -2.874 6.897 -6.101 230 HG3 LYS 582 2HG LYS 582 -1.467 5.849 -5.904 231 HD2 LYS 582 1HD LYS 582 -2.466 4.082 -7.004 232 HD3 LYS 582 2HD LYS 582 -4.099 4.650 -6.649 233 HE2 LYS 582 1HE LYS 582 -2.203 6.072 -8.511 234 HE3 LYS 582 2HE LYS 582 -3.377 4.870 -9.047 235 HZ1 LYS 582 1HZ LYS 582 -3.831 7.580 -8.020 236 HZ2 LYS 582 2HZ LYS 582 -5.019 6.405 -7.756 237 HZ3 LYS 582 3HZ LYS 582 -4.550 6.794 -9.334 238 H VAL 583 H VAL 583 -1.575 2.166 -5.339 239 HA VAL 583 HA VAL 583 1.118 2.517 -4.475 240 HB VAL 583 HB VAL 583 0.269 0.312 -5.107 241 HG11 VAL 583 1HG1 VAL 583 0.443 0.632 -7.980 242 HG12 VAL 583 2HG1 VAL 583 -0.829 -0.102 -7.001 243 HG13 VAL 583 3HG1 VAL 583 -0.825 1.639 -7.283 244 HG21 VAL 583 1HG2 VAL 583 2.161 0.023 -7.047 245 HG22 VAL 583 2HG2 VAL 583 2.672 1.523 -6.272 246 HG23 VAL 583 3HG2 VAL 583 2.492 0.052 -5.314 247 H LEU 584 H LEU 584 2.565 3.913 -5.211 248 HA LEU 584 HA LEU 584 2.114 5.170 -7.828 249 HB2 LEU 584 1HB LEU 584 3.962 6.115 -5.650 250 HB3 LEU 584 2HB LEU 584 3.415 7.013 -7.064 251 HG LEU 584 HG LEU 584 1.598 6.147 -4.820 252 HD11 LEU 584 1HD1 LEU 584 1.714 8.423 -4.010 253 HD12 LEU 584 2HD1 LEU 584 2.860 8.846 -5.282 254 HD13 LEU 584 3HD1 LEU 584 3.326 7.706 -4.020 255 HD21 LEU 584 1HD2 LEU 584 1.183 8.247 -6.938 256 HD22 LEU 584 2HD2 LEU 584 -0.002 7.610 -5.796 257 HD23 LEU 584 3HD2 LEU 584 0.616 6.584 -7.092 258 H SER 585 H SER 585 4.314 3.213 -6.005 259 HA SER 585 HA SER 585 6.000 2.948 -8.389 260 HB2 SER 585 1HB SER 585 7.629 4.117 -7.355 261 HB3 SER 585 2HB SER 585 6.811 4.035 -5.794 262 HG SER 585 HG SER 585 8.828 2.483 -6.800 263 H ILE 586 H ILE 586 7.388 0.997 -8.301 264 HA ILE 586 HA ILE 586 6.367 -1.100 -6.523 265 HB ILE 586 HB ILE 586 6.397 -2.681 -8.507 266 HG12 ILE 586 1HG1 ILE 586 6.066 -0.166 -10.137 267 HG13 ILE 586 2HG1 ILE 586 7.627 -0.957 -9.953 268 HG21 ILE 586 1HG2 ILE 586 4.134 -2.300 -8.988 269 HG22 ILE 586 2HG2 ILE 586 4.367 -1.638 -7.370 270 HG23 ILE 586 3HG2 ILE 586 4.290 -0.558 -8.761 271 HD11 ILE 586 1HD1 ILE 586 5.341 -2.618 -10.838 272 HD12 ILE 586 2HD1 ILE 586 6.020 -1.462 -11.986 273 HD13 ILE 586 3HD1 ILE 586 7.047 -2.706 -11.275 274 H GLY 587 H GLY 587 7.749 -3.019 -6.457 275 HA2 GLY 587 1HA GLY 587 10.503 -2.531 -7.377 276 HA3 GLY 587 2HA GLY 587 10.206 -2.903 -5.686 277 H GLU 588 H GLU 588 9.737 -4.995 -5.071 278 HA GLU 588 HA GLU 588 9.034 -7.100 -6.762 279 HB2 GLU 588 1HB GLU 588 11.290 -8.295 -6.755 280 HB3 GLU 588 2HB GLU 588 11.095 -6.971 -7.894 281 HG2 GLU 588 1HG GLU 588 12.280 -5.484 -6.336 282 HG3 GLU 588 2HG GLU 588 12.520 -6.848 -5.246 283 H GLY 589 H GLY 589 8.652 -8.974 -5.625 284 HA2 GLY 589 1HA GLY 589 8.775 -10.458 -3.815 285 HA3 GLY 589 2HA GLY 589 9.766 -9.289 -2.954 286 H GLY 590 H GLY 590 6.505 -9.132 -4.393 287 HA2 GLY 590 1HA GLY 590 4.514 -8.407 -3.509 288 HA3 GLY 590 2HA GLY 590 5.034 -9.226 -2.044 289 H PHE 591 H PHE 591 6.941 -6.626 -3.310 290 HA PHE 591 HA PHE 591 5.877 -4.844 -1.220 291 HB2 PHE 591 1HB PHE 591 8.410 -5.986 -1.251 292 HB3 PHE 591 2HB PHE 591 8.674 -4.362 -1.876 293 HD1 PHE 591 1HD PHE 591 8.755 -2.529 -0.437 294 HD2 PHE 591 2HD PHE 591 7.199 -6.236 0.962 295 HE1 PHE 591 1HE PHE 591 8.704 -1.639 1.855 296 HE2 PHE 591 2HE PHE 591 7.146 -5.351 3.256 297 HZ PHE 591 HZ PHE 591 7.898 -3.049 3.706 298 H TRP 592 H TRP 592 5.646 -2.703 -1.730 299 HA TRP 592 HA TRP 592 6.754 -1.567 -4.119 300 HB2 TRP 592 1HB TRP 592 4.574 -1.072 -5.197 301 HB3 TRP 592 2HB TRP 592 4.931 -2.797 -5.146 302 HD1 TRP 592 HD TRP 592 3.884 -2.047 -1.777 303 HE1 TRP 592 1HE TRP 592 1.384 -2.542 -1.417 304 HE3 TRP 592 3HE TRP 592 2.418 -2.417 -6.660 305 HZ2 TRP 592 2HZ TRP 592 -0.906 -3.024 -2.993 306 HZ3 TRP 592 3HZ TRP 592 0.055 -2.898 -7.149 307 HH2 TRP 592 HH TRP 592 -1.571 -3.196 -5.352 308 H GLU 593 H GLU 593 5.819 0.701 -4.477 309 HA GLU 593 HA GLU 593 5.516 1.946 -1.839 310 HB2 GLU 593 1HB GLU 593 7.026 2.599 -4.179 311 HB3 GLU 593 2HB GLU 593 5.892 3.903 -3.861 312 HG2 GLU 593 1HG GLU 593 7.235 2.993 -1.456 313 HG3 GLU 593 2HG GLU 593 8.360 3.555 -2.692 314 H GLY 594 H GLY 594 3.839 3.310 -1.348 315 HA2 GLY 594 1HA GLY 594 1.902 4.040 -3.384 316 HA3 GLY 594 2HA GLY 594 1.320 2.904 -2.176 317 H GLN 595 H GLN 595 -0.215 4.793 -1.914 318 HA GLN 595 HA GLN 595 0.844 6.547 0.191 319 HB2 GLN 595 1HB GLN 595 0.718 7.987 -1.696 320 HB3 GLN 595 2HB GLN 595 -0.848 7.341 -2.175 321 HG2 GLN 595 1HG GLN 595 -0.727 8.571 0.498 322 HG3 GLN 595 2HG GLN 595 -0.514 9.664 -0.869 323 HE21 GLN 595 1HE2 GLN 595 -3.797 8.975 -2.187 324 HE22 GLN 595 2HE2 GLN 595 -2.156 9.106 -2.709 325 H VAL 596 H VAL 596 -0.428 6.764 1.952 326 HA VAL 596 HA VAL 596 -3.183 5.747 1.817 327 HB VAL 596 HB VAL 596 -1.852 3.945 2.753 328 HG11 VAL 596 1HG1 VAL 596 -0.070 4.307 4.027 329 HG12 VAL 596 2HG1 VAL 596 -0.382 6.041 3.930 330 HG13 VAL 596 3HG1 VAL 596 -1.065 5.093 5.251 331 HG21 VAL 596 1HG2 VAL 596 -3.380 3.446 4.324 332 HG22 VAL 596 2HG2 VAL 596 -3.062 4.914 5.248 333 HG23 VAL 596 3HG2 VAL 596 -4.123 4.971 3.840 334 H LYS 597 H LYS 597 -4.482 7.358 2.369 335 HA LYS 597 HA LYS 597 -5.141 9.400 3.209 336 HB2 LYS 597 1HB LYS 597 -5.149 9.327 5.764 337 HB3 LYS 597 2HB LYS 597 -5.986 8.027 4.926 338 HG2 LYS 597 1HG LYS 597 -4.829 6.891 6.560 339 HG3 LYS 597 2HG LYS 597 -3.742 6.755 5.176 340 HD2 LYS 597 1HD LYS 597 -2.480 7.338 7.159 341 HD3 LYS 597 2HD LYS 597 -2.466 8.691 6.024 342 HE2 LYS 597 1HE LYS 597 -3.129 9.958 7.736 343 HE3 LYS 597 2HE LYS 597 -4.699 9.172 7.574 344 HZ1 LYS 597 1HZ LYS 597 -3.173 7.436 9.055 345 HZ2 LYS 597 2HZ LYS 597 -4.404 8.443 9.632 346 HZ3 LYS 597 3HZ LYS 597 -2.795 8.965 9.676 347 H GLY 598 H GLY 598 -2.441 9.495 2.293 348 HA2 GLY 598 1HA GLY 598 -1.212 11.610 2.431 349 HA3 GLY 598 2HA GLY 598 -1.360 11.495 4.178 350 H ARG 599 H ARG 599 -0.588 8.993 4.770 351 HA ARG 599 HA ARG 599 2.195 9.115 4.691 352 HB2 ARG 599 1HB ARG 599 0.182 7.101 5.500 353 HB3 ARG 599 2HB ARG 599 1.797 6.489 5.166 354 HG2 ARG 599 1HG ARG 599 2.397 8.597 6.734 355 HG3 ARG 599 2HG ARG 599 0.820 8.149 7.387 356 HD2 ARG 599 1HD ARG 599 1.545 6.004 7.975 357 HD3 ARG 599 2HD ARG 599 2.953 6.094 6.918 358 HE ARG 599 HE ARG 599 4.107 7.065 8.627 359 HH11 ARG 599 1HH1 ARG 599 0.921 8.089 10.826 360 HH12 ARG 599 2HH1 ARG 599 0.699 7.404 9.250 361 HH21 ARG 599 1HH2 ARG 599 3.035 8.408 11.650 362 HH22 ARG 599 2HH2 ARG 599 4.413 7.965 10.700 363 H VAL 600 H VAL 600 3.310 9.117 2.838 364 HA VAL 600 HA VAL 600 2.695 7.029 0.848 365 HB VAL 600 HB VAL 600 4.160 9.612 0.312 366 HG11 VAL 600 1HG1 VAL 600 4.538 7.651 -1.205 367 HG12 VAL 600 2HG1 VAL 600 2.822 7.723 -1.616 368 HG13 VAL 600 3HG1 VAL 600 3.879 9.086 -1.993 369 HG21 VAL 600 1HG2 VAL 600 1.339 9.145 0.687 370 HG22 VAL 600 2HG2 VAL 600 2.199 10.661 0.421 371 HG23 VAL 600 3HG2 VAL 600 1.675 9.692 -0.956 372 H GLY 601 H GLY 601 4.132 5.441 0.734 373 HA2 GLY 601 1HA GLY 601 6.924 5.869 0.549 374 HA3 GLY 601 2HA GLY 601 6.518 5.329 2.172 375 H TRP 602 H TRP 602 7.674 3.398 1.897 376 HA TRP 602 HA TRP 602 6.669 1.540 -0.133 377 HB2 TRP 602 1HB TRP 602 9.072 1.309 1.691 378 HB3 TRP 602 2HB TRP 602 8.633 0.170 0.423 379 HD1 TRP 602 HD TRP 602 9.291 4.006 0.557 380 HE1 TRP 602 1HE TRP 602 10.713 4.627 -1.496 381 HE3 TRP 602 3HE TRP 602 9.676 -0.617 -1.592 382 HZ2 TRP 602 2HZ TRP 602 11.848 3.328 -3.733 383 HZ3 TRP 602 3HZ TRP 602 10.945 -0.842 -3.688 384 HH2 TRP 602 HH TRP 602 12.008 1.091 -4.733 385 H PHE 603 H PHE 603 5.997 -0.575 0.416 386 HA PHE 603 HA PHE 603 5.804 -1.557 3.043 387 HB2 PHE 603 1HB PHE 603 3.441 -1.271 3.508 388 HB3 PHE 603 2HB PHE 603 4.183 0.309 3.274 389 HD1 PHE 603 1HD PHE 603 1.944 -2.207 1.818 390 HD2 PHE 603 2HD PHE 603 3.580 1.702 1.427 391 HE1 PHE 603 1HE PHE 603 0.263 -1.680 0.101 392 HE2 PHE 603 2HE PHE 603 1.900 2.238 -0.290 393 HZ PHE 603 HZ PHE 603 0.239 0.546 -0.955 394 HA PRO 604 HA PRO 604 4.874 -5.238 0.845 395 HB2 PRO 604 1HB PRO 604 3.507 -6.658 2.711 396 HB3 PRO 604 2HB PRO 604 5.248 -6.372 2.808 397 HG2 PRO 604 1HG PRO 604 3.015 -4.951 4.206 398 HG3 PRO 604 2HG PRO 604 4.577 -5.486 4.851 399 HD2 PRO 604 1HD PRO 604 4.098 -2.919 4.133 400 HD3 PRO 604 2HD PRO 604 5.700 -3.670 3.980 401 H SER 605 H SER 605 3.411 -5.742 -0.657 402 HA SER 605 HA SER 605 0.863 -4.479 -0.727 403 HB2 SER 605 1HB SER 605 0.838 -5.112 -2.900 404 HB3 SER 605 2HB SER 605 2.516 -5.578 -2.616 405 HG SER 605 HG SER 605 0.725 -7.155 -3.466 406 H ASP 606 H ASP 606 1.955 -7.196 0.881 407 HA ASP 606 HA ASP 606 -0.111 -9.044 0.637 408 HB2 ASP 606 1HB ASP 606 2.073 -9.361 1.862 409 HB3 ASP 606 2HB ASP 606 1.379 -8.443 3.196 410 H CYS 607 H CYS 607 0.099 -6.114 2.566 411 HA CYS 607 HA CYS 607 -2.373 -6.633 3.958 412 HB2 CYS 607 1HB CYS 607 -0.868 -4.019 3.810 413 HB3 CYS 607 2HB CYS 607 -2.019 -4.524 5.040 414 HG CYS 607 HG CYS 607 -0.255 -5.449 6.646 415 H LEU 608 H LEU 608 -1.668 -5.705 0.877 416 HA LEU 608 HA LEU 608 -4.014 -3.953 0.637 417 HB2 LEU 608 1HB LEU 608 -1.458 -4.179 -0.774 418 HB3 LEU 608 2HB LEU 608 -2.851 -3.982 -1.835 419 HG LEU 608 HG LEU 608 -1.617 -1.872 -1.173 420 HD11 LEU 608 1HD1 LEU 608 -4.437 -2.422 -1.340 421 HD12 LEU 608 2HD1 LEU 608 -3.522 -1.042 -1.949 422 HD13 LEU 608 3HD1 LEU 608 -4.129 -1.035 -0.294 423 HD21 LEU 608 1HD2 LEU 608 -3.141 -1.876 1.369 424 HD22 LEU 608 2HD2 LEU 608 -1.622 -1.079 0.955 425 HD23 LEU 608 3HD2 LEU 608 -1.643 -2.805 1.318 426 H GLU 609 H GLU 609 -5.409 -4.274 -1.267 427 HA GLU 609 HA GLU 609 -5.395 -6.795 -2.620 428 HB2 GLU 609 1HB GLU 609 -7.100 -6.396 -0.225 429 HB3 GLU 609 2HB GLU 609 -7.860 -7.158 -1.615 430 HG2 GLU 609 1HG GLU 609 -5.690 -8.649 -1.552 431 HG3 GLU 609 2HG GLU 609 -5.680 -8.148 0.138 432 H GLU 610 H GLU 610 -6.600 -6.732 -4.458 433 HA GLU 610 HA GLU 610 -7.505 -4.228 -5.395 434 HB2 GLU 610 1HB GLU 610 -6.717 -6.408 -6.662 435 HB3 GLU 610 2HB GLU 610 -8.439 -6.767 -6.665 436 HG2 GLU 610 1HG GLU 610 -8.679 -4.369 -7.618 437 HG3 GLU 610 2HG GLU 610 -6.970 -4.546 -8.011 438 H VAL 611 H VAL 611 -9.535 -3.383 -5.668 439 HA VAL 611 HA VAL 611 -11.649 -4.638 -4.072 440 HB VAL 611 HB VAL 611 -12.774 -2.441 -4.182 441 HG11 VAL 611 1HG1 VAL 611 -11.219 -3.008 -2.347 442 HG12 VAL 611 2HG1 VAL 611 -9.914 -2.235 -3.247 443 HG13 VAL 611 3HG1 VAL 611 -11.283 -1.278 -2.682 444 HG21 VAL 611 1HG2 VAL 611 -11.582 -0.504 -5.076 445 HG22 VAL 611 2HG2 VAL 611 -10.279 -1.555 -5.633 446 HG23 VAL 611 3HG2 VAL 611 -11.889 -1.698 -6.338 447 H ALA 612 H ALA 612 -13.861 -4.587 -4.872 448 HA ALA 612 HA ALA 612 -13.947 -5.193 -7.733 449 HB1 ALA 612 1HB ALA 612 -14.844 -6.937 -6.408 450 HB2 ALA 612 2HB ALA 612 -15.827 -5.814 -5.468 451 HB3 ALA 612 3HB ALA 612 -16.219 -6.125 -7.159 452 H ASN 613 H ASN 613 -14.965 -3.946 -9.179 453 HA ASN 613 HA ASN 613 -16.549 -1.681 -8.160 454 HB2 ASN 613 1HB ASN 613 -15.906 -0.685 -10.481 455 HB3 ASN 613 2HB ASN 613 -14.716 -0.674 -9.184 456 HD21 ASN 613 1HD2 ASN 613 -12.460 -2.762 -10.791 457 HD22 ASN 613 2HD2 ASN 613 -12.896 -1.906 -9.357 Start of MODEL 5 1 H1 MET 553 H MET 553 8.254 2.993 -13.761 2 HA MET 553 HA MET 553 6.046 4.401 -13.210 3 HB2 MET 553 1HB MET 553 5.058 3.465 -15.381 4 HB3 MET 553 2HB MET 553 6.635 4.235 -15.477 5 HG2 MET 553 1HG MET 553 7.744 2.145 -15.620 6 HG3 MET 553 2HG MET 553 6.272 1.266 -15.213 7 HE1 MET 553 1HE MET 553 8.386 0.915 -17.617 8 HE2 MET 553 2HE MET 553 7.062 -0.249 -17.583 9 HE3 MET 553 3HE MET 553 7.418 0.638 -19.066 10 H VAL 554 H VAL 554 3.821 4.052 -12.937 11 HA VAL 554 HA VAL 554 3.091 1.330 -12.066 12 HB VAL 554 HB VAL 554 1.403 2.600 -10.561 13 HG11 VAL 554 1HG1 VAL 554 4.299 2.774 -9.767 14 HG12 VAL 554 2HG1 VAL 554 2.898 2.485 -8.734 15 HG13 VAL 554 3HG1 VAL 554 3.426 1.245 -9.873 16 HG21 VAL 554 1HG2 VAL 554 3.510 4.739 -10.793 17 HG22 VAL 554 2HG2 VAL 554 1.950 4.814 -11.612 18 HG23 VAL 554 3HG2 VAL 554 2.020 4.788 -9.850 19 HA PRO 555 HA PRO 555 -0.342 1.449 -14.799 20 HB2 PRO 555 1HB PRO 555 -2.224 0.100 -13.382 21 HB3 PRO 555 2HB PRO 555 -0.823 -0.690 -14.113 22 HG2 PRO 555 1HG PRO 555 -1.245 0.172 -11.278 23 HG3 PRO 555 2HG PRO 555 -0.539 -1.332 -11.896 24 HD2 PRO 555 1HD PRO 555 0.974 0.721 -10.986 25 HD3 PRO 555 2HD PRO 555 1.511 -0.355 -12.292 26 H GLY 556 H GLY 556 -1.346 2.112 -11.434 27 HA2 GLY 556 1HA GLY 556 -2.194 4.374 -10.955 28 HA3 GLY 556 2HA GLY 556 -3.037 4.292 -12.493 29 H ARG 557 H ARG 557 -3.338 1.280 -11.371 30 HA ARG 557 HA ARG 557 -6.066 1.623 -10.639 31 HB2 ARG 557 1HB ARG 557 -4.894 -0.413 -11.746 32 HB3 ARG 557 2HB ARG 557 -4.497 -0.880 -10.098 33 HG2 ARG 557 1HG ARG 557 -7.321 -0.201 -10.622 34 HG3 ARG 557 2HG ARG 557 -6.709 -1.680 -11.364 35 HD2 ARG 557 1HD ARG 557 -6.271 -2.680 -9.327 36 HD3 ARG 557 2HD ARG 557 -6.164 -1.137 -8.480 37 HE ARG 557 HE ARG 557 -8.413 -1.243 -8.096 38 HH11 ARG 557 1HH1 ARG 557 -9.194 -4.121 -10.768 39 HH12 ARG 557 2HH1 ARG 557 -7.607 -3.435 -10.679 40 HH21 ARG 557 1HH2 ARG 557 -10.844 -3.383 -9.360 41 HH22 ARG 557 2HH2 ARG 557 -10.507 -2.140 -8.203 42 H SER 558 H SER 558 -6.902 2.071 -8.715 43 HA SER 558 HA SER 558 -5.208 2.303 -6.405 44 HB2 SER 558 1HB SER 558 -8.205 2.659 -6.677 45 HB3 SER 558 2HB SER 558 -7.239 3.124 -5.275 46 HG SER 558 HG SER 558 -7.779 4.713 -7.120 47 H PHE 559 H PHE 559 -5.390 1.177 -4.453 48 HA PHE 559 HA PHE 559 -6.944 -1.319 -4.545 49 HB2 PHE 559 1HB PHE 559 -4.031 -0.957 -3.881 50 HB3 PHE 559 2HB PHE 559 -4.945 -2.322 -3.245 51 HD1 PHE 559 1HD PHE 559 -5.111 -4.261 -4.486 52 HD2 PHE 559 2HD PHE 559 -4.124 -0.616 -6.447 53 HE1 PHE 559 1HE PHE 559 -4.723 -5.496 -6.579 54 HE2 PHE 559 2HE PHE 559 -3.734 -1.845 -8.544 55 HZ PHE 559 HZ PHE 559 -4.035 -4.288 -8.611 56 H MET 560 H MET 560 -7.331 -2.276 -2.411 57 HA MET 560 HA MET 560 -7.502 -0.195 -0.333 58 HB2 MET 560 1HB MET 560 -9.676 -1.018 -1.231 59 HB3 MET 560 2HB MET 560 -9.262 -2.630 -0.664 60 HG2 MET 560 1HG MET 560 -9.022 -1.532 1.643 61 HG3 MET 560 2HG MET 560 -9.906 -0.184 0.933 62 HE1 MET 560 1HE MET 560 -9.662 -3.852 1.248 63 HE2 MET 560 2HE MET 560 -10.743 -3.910 2.641 64 HE3 MET 560 3HE MET 560 -11.297 -4.488 1.070 65 H ALA 561 H ALA 561 -6.902 -0.670 1.759 66 HA ALA 561 HA ALA 561 -5.099 -2.926 2.051 67 HB1 ALA 561 1HB ALA 561 -5.367 -0.316 3.235 68 HB2 ALA 561 2HB ALA 561 -5.227 -1.557 4.482 69 HB3 ALA 561 3HB ALA 561 -3.987 -1.413 3.237 70 H VAL 562 H VAL 562 -5.695 -4.807 2.887 71 HA VAL 562 HA VAL 562 -8.267 -5.063 4.209 72 HB VAL 562 HB VAL 562 -7.833 -7.482 4.155 73 HG11 VAL 562 1HG1 VAL 562 -7.504 -5.900 1.628 74 HG12 VAL 562 2HG1 VAL 562 -7.600 -7.661 1.607 75 HG13 VAL 562 3HG1 VAL 562 -8.940 -6.713 2.247 76 HG21 VAL 562 1HG2 VAL 562 -5.685 -7.892 2.541 77 HG22 VAL 562 2HG2 VAL 562 -5.118 -6.555 3.541 78 HG23 VAL 562 3HG2 VAL 562 -5.664 -8.051 4.297 79 H LYS 563 H LYS 563 -5.113 -4.462 5.150 80 HA LYS 563 HA LYS 563 -5.766 -4.875 7.927 81 HB2 LYS 563 1HB LYS 563 -3.490 -6.153 8.184 82 HB3 LYS 563 2HB LYS 563 -4.956 -7.029 7.767 83 HG2 LYS 563 1HG LYS 563 -4.263 -7.464 5.644 84 HG3 LYS 563 2HG LYS 563 -3.280 -6.001 5.546 85 HD2 LYS 563 1HD LYS 563 -1.828 -7.923 5.604 86 HD3 LYS 563 2HD LYS 563 -1.669 -7.037 7.121 87 HE2 LYS 563 1HE LYS 563 -1.780 -9.336 7.686 88 HE3 LYS 563 2HE LYS 563 -3.345 -8.640 8.100 89 HZ1 LYS 563 1HZ LYS 563 -3.419 -9.560 5.445 90 HZ2 LYS 563 2HZ LYS 563 -4.325 -10.091 6.770 91 HZ3 LYS 563 3HZ LYS 563 -2.829 -10.804 6.430 92 H SER 564 H SER 564 -4.454 -3.695 9.331 93 HA SER 564 HA SER 564 -3.104 -1.471 8.123 94 HB2 SER 564 1HB SER 564 -3.016 -0.535 10.285 95 HB3 SER 564 2HB SER 564 -4.515 -1.466 10.279 96 HG SER 564 HG SER 564 -2.102 -1.969 11.601 97 H TYR 565 H TYR 565 -0.923 -0.776 8.894 98 HA TYR 565 HA TYR 565 0.885 -2.933 9.632 99 HB2 TYR 565 1HB TYR 565 0.825 -3.095 7.196 100 HB3 TYR 565 2HB TYR 565 1.188 -1.379 7.053 101 HD1 TYR 565 1HD TYR 565 2.579 -4.575 8.362 102 HD2 TYR 565 2HD TYR 565 3.404 -0.659 6.919 103 HE1 TYR 565 1HE TYR 565 4.983 -5.094 8.348 104 HE2 TYR 565 2HE TYR 565 5.810 -1.166 6.900 105 HH TYR 565 HH TYR 565 7.383 -2.650 7.413 106 H GLN 566 H GLN 566 2.831 -2.227 10.518 107 HA GLN 566 HA GLN 566 2.952 0.664 11.068 108 HB2 GLN 566 1HB GLN 566 2.557 -1.065 12.970 109 HB3 GLN 566 2HB GLN 566 4.273 -1.408 12.790 110 HG2 GLN 566 1HG GLN 566 4.865 0.812 13.377 111 HG3 GLN 566 2HG GLN 566 3.189 1.349 13.287 112 HE21 GLN 566 1HE2 GLN 566 2.268 -0.099 16.402 113 HE22 GLN 566 2HE2 GLN 566 1.684 0.222 14.809 114 H ALA 567 H ALA 567 4.499 1.639 9.949 115 HA ALA 567 HA ALA 567 6.517 0.475 8.488 116 HB1 ALA 567 1HB ALA 567 6.287 2.655 7.903 117 HB2 ALA 567 2HB ALA 567 6.045 3.191 9.567 118 HB3 ALA 567 3HB ALA 567 7.669 2.828 8.986 119 H GLN 568 H GLN 568 8.591 -0.163 8.840 120 HA GLN 568 HA GLN 568 9.586 -0.010 11.609 121 HB2 GLN 568 1HB GLN 568 10.158 -2.289 9.723 122 HB3 GLN 568 2HB GLN 568 10.467 -2.215 11.451 123 HG2 GLN 568 1HG GLN 568 8.002 -2.114 11.811 124 HG3 GLN 568 2HG GLN 568 7.796 -2.401 10.084 125 HE21 GLN 568 1HE2 GLN 568 7.458 -5.723 11.266 126 HE22 GLN 568 2HE2 GLN 568 6.586 -4.270 10.929 127 H ALA 569 H ALA 569 10.362 -0.025 8.185 128 HA ALA 569 HA ALA 569 13.179 0.444 8.656 129 HB1 ALA 569 1HB ALA 569 13.492 0.011 6.456 130 HB2 ALA 569 2HB ALA 569 11.910 -0.750 6.629 131 HB3 ALA 569 3HB ALA 569 12.036 0.878 5.964 132 H GLU 570 H GLU 570 13.900 2.289 6.810 133 HA GLU 570 HA GLU 570 13.009 4.748 8.069 134 HB2 GLU 570 1HB GLU 570 14.964 5.694 7.337 135 HB3 GLU 570 2HB GLU 570 15.453 4.006 7.372 136 HG2 GLU 570 1HG GLU 570 14.878 3.876 4.945 137 HG3 GLU 570 2HG GLU 570 14.629 5.619 4.972 138 H GLY 571 H GLY 571 12.733 3.095 5.001 139 HA2 GLY 571 1HA GLY 571 11.270 5.405 3.899 140 HA3 GLY 571 2HA GLY 571 12.017 4.136 2.939 141 H GLU 572 H GLU 572 10.265 3.237 5.778 142 HA GLU 572 HA GLU 572 8.158 2.115 4.064 143 HB2 GLU 572 1HB GLU 572 9.556 1.168 6.479 144 HB3 GLU 572 2HB GLU 572 7.823 0.875 6.463 145 HG2 GLU 572 1HG GLU 572 8.653 -1.046 5.516 146 HG3 GLU 572 2HG GLU 572 8.250 -0.081 4.099 147 H ILE 573 H ILE 573 5.980 2.292 4.654 148 HA ILE 573 HA ILE 573 5.403 4.348 6.686 149 HB ILE 573 HB ILE 573 3.451 5.017 5.292 150 HG12 ILE 573 1HG1 ILE 573 4.630 3.862 2.850 151 HG13 ILE 573 2HG1 ILE 573 3.896 2.687 3.939 152 HG21 ILE 573 1HG2 ILE 573 5.358 6.419 5.213 153 HG22 ILE 573 2HG2 ILE 573 6.223 5.302 4.157 154 HG23 ILE 573 3HG2 ILE 573 4.834 6.199 3.544 155 HD11 ILE 573 1HD1 ILE 573 2.622 4.294 2.045 156 HD12 ILE 573 2HD1 ILE 573 1.872 3.251 3.255 157 HD13 ILE 573 3HD1 ILE 573 2.168 4.952 3.616 158 H SER 574 H SER 574 3.194 4.247 7.573 159 HA SER 574 HA SER 574 2.509 1.503 8.196 160 HB2 SER 574 1HB SER 574 1.628 4.183 9.250 161 HB3 SER 574 2HB SER 574 0.765 2.707 9.684 162 HG SER 574 HG SER 574 2.883 3.637 10.845 163 H LEU 575 H LEU 575 0.015 1.118 8.441 164 HA LEU 575 HA LEU 575 -1.425 2.176 6.119 165 HB2 LEU 575 1HB LEU 575 -0.574 -0.605 6.580 166 HB3 LEU 575 2HB LEU 575 -2.255 -0.400 6.090 167 HG LEU 575 HG LEU 575 -1.182 1.060 4.182 168 HD11 LEU 575 1HD1 LEU 575 0.981 0.277 3.473 169 HD12 LEU 575 2HD1 LEU 575 1.062 -0.845 4.831 170 HD13 LEU 575 3HD1 LEU 575 1.099 0.894 5.121 171 HD21 LEU 575 1HD2 LEU 575 -1.986 -1.664 4.454 172 HD22 LEU 575 2HD2 LEU 575 -0.642 -1.571 3.316 173 HD23 LEU 575 3HD2 LEU 575 -2.096 -0.610 3.045 174 H SER 576 H SER 576 -3.778 1.353 6.179 175 HA SER 576 HA SER 576 -4.751 1.003 8.916 176 HB2 SER 576 1HB SER 576 -5.182 3.381 7.193 177 HB3 SER 576 2HB SER 576 -6.592 2.775 8.061 178 HG SER 576 HG SER 576 -5.768 3.930 9.626 179 H LYS 577 H LYS 577 -6.147 -0.615 8.956 180 HA LYS 577 HA LYS 577 -7.045 -2.026 6.754 181 HB2 LYS 577 1HB LYS 577 -7.100 -2.551 9.337 182 HB3 LYS 577 2HB LYS 577 -8.740 -1.928 9.217 183 HG2 LYS 577 1HG LYS 577 -7.754 -4.079 7.380 184 HG3 LYS 577 2HG LYS 577 -8.384 -4.449 8.988 185 HD2 LYS 577 1HD LYS 577 -10.438 -3.101 8.316 186 HD3 LYS 577 2HD LYS 577 -9.814 -3.178 6.667 187 HE2 LYS 577 1HE LYS 577 -10.137 -5.454 6.509 188 HE3 LYS 577 2HE LYS 577 -10.065 -5.692 8.254 189 HZ1 LYS 577 1HZ LYS 577 -12.315 -5.946 7.265 190 HZ2 LYS 577 2HZ LYS 577 -12.294 -4.299 6.879 191 HZ3 LYS 577 3HZ LYS 577 -12.234 -4.788 8.496 192 H GLY 578 H GLY 578 -8.478 -1.596 5.215 193 HA2 GLY 578 1HA GLY 578 -10.588 -0.978 4.378 194 HA3 GLY 578 2HA GLY 578 -10.886 -0.076 5.856 195 H GLU 579 H GLU 579 -7.883 0.821 5.061 196 HA GLU 579 HA GLU 579 -8.798 3.317 3.918 197 HB2 GLU 579 1HB GLU 579 -6.907 2.853 5.719 198 HB3 GLU 579 2HB GLU 579 -5.902 2.708 4.286 199 HG2 GLU 579 1HG GLU 579 -5.863 4.963 5.247 200 HG3 GLU 579 2HG GLU 579 -6.475 4.940 3.595 201 H LYS 580 H LYS 580 -8.435 4.057 1.886 202 HA LYS 580 HA LYS 580 -7.765 2.109 -0.127 203 HB2 LYS 580 1HB LYS 580 -9.538 4.018 -0.223 204 HB3 LYS 580 2HB LYS 580 -8.174 5.029 -0.684 205 HG2 LYS 580 1HG LYS 580 -9.219 4.319 -2.682 206 HG3 LYS 580 2HG LYS 580 -7.719 3.401 -2.536 207 HD2 LYS 580 1HD LYS 580 -9.465 1.906 -3.230 208 HD3 LYS 580 2HD LYS 580 -9.033 1.525 -1.563 209 HE2 LYS 580 1HE LYS 580 -11.181 1.731 -1.031 210 HE3 LYS 580 2HE LYS 580 -11.052 3.452 -1.392 211 HZ1 LYS 580 1HZ LYS 580 -12.548 1.519 -2.739 212 HZ2 LYS 580 2HZ LYS 580 -11.343 2.047 -3.801 213 HZ3 LYS 580 3HZ LYS 580 -12.403 3.165 -3.103 214 H ILE 581 H ILE 581 -5.704 1.630 -0.512 215 HA ILE 581 HA ILE 581 -3.660 3.704 -0.238 216 HB ILE 581 HB ILE 581 -3.038 0.853 -0.900 217 HG12 ILE 581 1HG1 ILE 581 -4.590 0.653 0.943 218 HG13 ILE 581 2HG1 ILE 581 -2.960 0.379 1.547 219 HG21 ILE 581 1HG2 ILE 581 -1.653 3.146 0.431 220 HG22 ILE 581 2HG2 ILE 581 -1.123 1.491 0.723 221 HG23 ILE 581 3HG2 ILE 581 -1.113 2.143 -0.915 222 HD11 ILE 581 1HD1 ILE 581 -4.901 2.277 2.403 223 HD12 ILE 581 2HD1 ILE 581 -3.314 1.919 3.087 224 HD13 ILE 581 3HD1 ILE 581 -3.474 3.131 1.816 225 H LYS 582 H LYS 582 -2.966 4.764 -1.962 226 HA LYS 582 HA LYS 582 -3.480 3.657 -4.625 227 HB2 LYS 582 1HB LYS 582 -4.317 5.883 -4.344 228 HB3 LYS 582 2HB LYS 582 -2.790 6.436 -3.672 229 HG2 LYS 582 1HG LYS 582 -3.165 7.177 -5.994 230 HG3 LYS 582 2HG LYS 582 -1.704 6.206 -5.800 231 HD2 LYS 582 1HD LYS 582 -2.787 4.275 -6.719 232 HD3 LYS 582 2HD LYS 582 -4.350 5.098 -6.728 233 HE2 LYS 582 1HE LYS 582 -3.454 5.085 -8.961 234 HE3 LYS 582 2HE LYS 582 -3.426 6.735 -8.341 235 HZ1 LYS 582 1HZ LYS 582 -1.043 5.031 -8.064 236 HZ2 LYS 582 2HZ LYS 582 -1.148 6.717 -8.145 237 HZ3 LYS 582 3HZ LYS 582 -1.361 5.788 -9.543 238 H VAL 583 H VAL 583 -1.868 2.381 -5.294 239 HA VAL 583 HA VAL 583 0.838 2.658 -4.492 240 HB VAL 583 HB VAL 583 -0.371 1.107 -6.784 241 HG11 VAL 583 1HG1 VAL 583 1.701 0.796 -7.526 242 HG12 VAL 583 2HG1 VAL 583 2.381 1.673 -6.155 243 HG13 VAL 583 3HG1 VAL 583 2.054 -0.055 -6.023 244 HG21 VAL 583 1HG2 VAL 583 0.733 -0.425 -4.601 245 HG22 VAL 583 2HG2 VAL 583 -0.507 0.694 -4.032 246 HG23 VAL 583 3HG2 VAL 583 -0.887 -0.471 -5.301 247 H LEU 584 H LEU 584 2.455 3.827 -5.320 248 HA LEU 584 HA LEU 584 1.986 5.211 -7.879 249 HB2 LEU 584 1HB LEU 584 3.807 6.218 -5.719 250 HB3 LEU 584 2HB LEU 584 3.128 7.100 -7.086 251 HG LEU 584 HG LEU 584 1.488 6.083 -4.770 252 HD11 LEU 584 1HD1 LEU 584 1.470 8.463 -4.043 253 HD12 LEU 584 2HD1 LEU 584 2.746 8.784 -5.218 254 HD13 LEU 584 3HD1 LEU 584 3.039 7.673 -3.880 255 HD21 LEU 584 1HD2 LEU 584 0.934 7.971 -7.050 256 HD22 LEU 584 2HD2 LEU 584 -0.111 7.799 -5.640 257 HD23 LEU 584 3HD2 LEU 584 0.153 6.425 -6.715 258 H SER 585 H SER 585 4.106 3.239 -6.002 259 HA SER 585 HA SER 585 5.886 2.991 -8.313 260 HB2 SER 585 1HB SER 585 6.602 4.193 -5.764 261 HB3 SER 585 2HB SER 585 7.616 2.796 -6.132 262 HG SER 585 HG SER 585 8.650 4.251 -7.273 263 H ILE 586 H ILE 586 7.287 1.059 -8.168 264 HA ILE 586 HA ILE 586 6.337 -1.009 -6.334 265 HB ILE 586 HB ILE 586 6.255 -2.629 -8.293 266 HG12 ILE 586 1HG1 ILE 586 5.934 -0.063 -9.863 267 HG13 ILE 586 2HG1 ILE 586 7.362 -1.092 -9.909 268 HG21 ILE 586 1HG2 ILE 586 4.316 -1.055 -7.112 269 HG22 ILE 586 2HG2 ILE 586 4.011 -0.871 -8.839 270 HG23 ILE 586 3HG2 ILE 586 4.037 -2.478 -8.116 271 HD11 ILE 586 1HD1 ILE 586 6.386 -2.601 -11.253 272 HD12 ILE 586 2HD1 ILE 586 4.808 -2.431 -10.482 273 HD13 ILE 586 3HD1 ILE 586 5.343 -1.241 -11.669 274 H GLY 587 H GLY 587 7.684 -3.035 -6.545 275 HA2 GLY 587 1HA GLY 587 10.384 -2.525 -7.570 276 HA3 GLY 587 2HA GLY 587 10.204 -2.875 -5.856 277 H GLU 588 H GLU 588 10.376 -4.931 -5.258 278 HA GLU 588 HA GLU 588 9.808 -7.017 -7.255 279 HB2 GLU 588 1HB GLU 588 12.324 -6.425 -6.534 280 HB3 GLU 588 2HB GLU 588 11.921 -7.540 -5.236 281 HG2 GLU 588 1HG GLU 588 13.023 -8.646 -7.124 282 HG3 GLU 588 2HG GLU 588 11.403 -9.275 -6.825 283 H GLY 589 H GLY 589 9.519 -9.206 -6.216 284 HA2 GLY 589 1HA GLY 589 8.226 -10.523 -4.849 285 HA3 GLY 589 2HA GLY 589 9.001 -9.646 -3.539 286 H GLY 590 H GLY 590 7.172 -9.630 -2.233 287 HA2 GLY 590 1HA GLY 590 4.740 -8.395 -3.278 288 HA3 GLY 590 2HA GLY 590 4.920 -9.176 -1.715 289 H PHE 591 H PHE 591 7.064 -6.707 -3.014 290 HA PHE 591 HA PHE 591 6.051 -4.841 -0.972 291 HB2 PHE 591 1HB PHE 591 8.620 -6.019 -1.111 292 HB3 PHE 591 2HB PHE 591 8.812 -4.326 -1.562 293 HD1 PHE 591 1HD PHE 591 7.852 -6.643 1.104 294 HD2 PHE 591 2HD PHE 591 8.412 -2.563 0.027 295 HE1 PHE 591 1HE PHE 591 7.779 -6.009 3.480 296 HE2 PHE 591 2HE PHE 591 8.341 -1.923 2.401 297 HZ PHE 591 HZ PHE 591 8.025 -3.647 4.132 298 H TRP 592 H TRP 592 5.749 -2.759 -1.582 299 HA TRP 592 HA TRP 592 6.927 -1.678 -3.971 300 HB2 TRP 592 1HB TRP 592 4.790 -1.235 -5.125 301 HB3 TRP 592 2HB TRP 592 5.116 -2.959 -4.979 302 HD1 TRP 592 HD TRP 592 4.005 -2.077 -1.677 303 HE1 TRP 592 1HE TRP 592 1.484 -2.492 -1.361 304 HE3 TRP 592 3HE TRP 592 2.636 -2.543 -6.581 305 HZ2 TRP 592 2HZ TRP 592 -0.784 -2.957 -2.976 306 HZ3 TRP 592 3HZ TRP 592 0.270 -2.971 -7.110 307 HH2 TRP 592 HH TRP 592 -1.401 -3.174 -5.343 308 H GLU 593 H GLU 593 5.977 0.574 -4.416 309 HA GLU 593 HA GLU 593 5.654 1.902 -1.822 310 HB2 GLU 593 1HB GLU 593 7.128 2.501 -4.203 311 HB3 GLU 593 2HB GLU 593 5.979 3.798 -3.907 312 HG2 GLU 593 1HG GLU 593 7.365 2.981 -1.493 313 HG3 GLU 593 2HG GLU 593 8.467 3.517 -2.759 314 H GLY 594 H GLY 594 3.965 3.273 -1.371 315 HA2 GLY 594 1HA GLY 594 1.999 3.896 -3.410 316 HA3 GLY 594 2HA GLY 594 1.445 2.789 -2.162 317 H GLN 595 H GLN 595 -0.112 4.691 -1.987 318 HA GLN 595 HA GLN 595 0.916 6.498 0.087 319 HB2 GLN 595 1HB GLN 595 0.825 7.905 -1.817 320 HB3 GLN 595 2HB GLN 595 -0.715 7.231 -2.335 321 HG2 GLN 595 1HG GLN 595 -1.913 8.399 -0.725 322 HG3 GLN 595 2HG GLN 595 -0.483 8.694 0.262 323 HE21 GLN 595 1HE2 GLN 595 -0.966 11.930 -1.125 324 HE22 GLN 595 2HE2 GLN 595 -1.447 10.898 0.176 325 H VAL 596 H VAL 596 -0.377 6.749 1.826 326 HA VAL 596 HA VAL 596 -3.127 5.715 1.672 327 HB VAL 596 HB VAL 596 -1.815 3.965 2.708 328 HG11 VAL 596 1HG1 VAL 596 -1.031 5.183 5.159 329 HG12 VAL 596 2HG1 VAL 596 -0.021 4.405 3.939 330 HG13 VAL 596 3HG1 VAL 596 -0.373 6.129 3.825 331 HG21 VAL 596 1HG2 VAL 596 -4.089 5.031 3.732 332 HG22 VAL 596 2HG2 VAL 596 -3.347 3.537 4.300 333 HG23 VAL 596 3HG2 VAL 596 -3.038 5.052 5.148 334 H LYS 597 H LYS 597 -4.438 7.352 2.109 335 HA LYS 597 HA LYS 597 -5.127 9.424 2.852 336 HB2 LYS 597 1HB LYS 597 -5.226 9.443 5.403 337 HB3 LYS 597 2HB LYS 597 -6.028 8.108 4.587 338 HG2 LYS 597 1HG LYS 597 -4.924 7.043 6.303 339 HG3 LYS 597 2HG LYS 597 -3.788 6.859 4.963 340 HD2 LYS 597 1HD LYS 597 -2.605 7.525 6.972 341 HD3 LYS 597 2HD LYS 597 -2.546 8.824 5.779 342 HE2 LYS 597 1HE LYS 597 -3.293 10.176 7.384 343 HE3 LYS 597 2HE LYS 597 -4.843 9.350 7.235 344 HZ1 LYS 597 1HZ LYS 597 -3.104 7.835 8.861 345 HZ2 LYS 597 2HZ LYS 597 -4.596 8.524 9.259 346 HZ3 LYS 597 3HZ LYS 597 -3.172 9.420 9.447 347 H GLY 598 H GLY 598 -2.397 9.489 2.025 348 HA2 GLY 598 1HA GLY 598 -1.185 11.621 2.135 349 HA3 GLY 598 2HA GLY 598 -1.375 11.548 3.881 350 H ARG 599 H ARG 599 -0.602 9.081 4.569 351 HA ARG 599 HA ARG 599 2.182 9.207 4.541 352 HB2 ARG 599 1HB ARG 599 0.154 7.226 5.382 353 HB3 ARG 599 2HB ARG 599 1.763 6.587 5.076 354 HG2 ARG 599 1HG ARG 599 2.358 8.749 6.588 355 HG3 ARG 599 2HG ARG 599 0.789 8.291 7.255 356 HD2 ARG 599 1HD ARG 599 1.545 6.179 7.895 357 HD3 ARG 599 2HD ARG 599 2.936 6.248 6.814 358 HE ARG 599 HE ARG 599 4.111 7.257 8.485 359 HH11 ARG 599 1HH1 ARG 599 0.957 8.386 10.676 360 HH12 ARG 599 2HH1 ARG 599 0.712 7.646 9.128 361 HH21 ARG 599 1HH2 ARG 599 3.081 8.717 11.466 362 HH22 ARG 599 2HH2 ARG 599 4.447 8.228 10.520 363 H VAL 600 H VAL 600 3.331 9.160 2.708 364 HA VAL 600 HA VAL 600 2.762 7.014 0.769 365 HB VAL 600 HB VAL 600 4.231 9.591 0.206 366 HG11 VAL 600 1HG1 VAL 600 2.919 7.908 -1.868 367 HG12 VAL 600 2HG1 VAL 600 4.343 8.943 -1.988 368 HG13 VAL 600 3HG1 VAL 600 4.458 7.371 -1.196 369 HG21 VAL 600 1HG2 VAL 600 2.273 10.636 0.138 370 HG22 VAL 600 2HG2 VAL 600 1.757 9.538 -1.141 371 HG23 VAL 600 3HG2 VAL 600 1.424 9.144 0.545 372 H GLY 601 H GLY 601 4.211 5.437 0.673 373 HA2 GLY 601 1HA GLY 601 7.005 5.861 0.577 374 HA3 GLY 601 2HA GLY 601 6.549 5.334 2.190 375 H TRP 602 H TRP 602 7.661 3.385 2.016 376 HA TRP 602 HA TRP 602 6.718 1.513 -0.040 377 HB2 TRP 602 1HB TRP 602 9.111 1.337 1.804 378 HB3 TRP 602 2HB TRP 602 8.682 0.148 0.579 379 HD1 TRP 602 HD TRP 602 9.293 3.994 0.556 380 HE1 TRP 602 1HE TRP 602 10.727 4.546 -1.511 381 HE3 TRP 602 3HE TRP 602 9.769 -0.714 -1.379 382 HZ2 TRP 602 2HZ TRP 602 11.903 3.166 -3.674 383 HZ3 TRP 602 3HZ TRP 602 11.064 -1.012 -3.449 384 HH2 TRP 602 HH TRP 602 12.108 0.888 -4.572 385 H PHE 603 H PHE 603 6.035 -0.592 0.523 386 HA PHE 603 HA PHE 603 5.826 -1.554 3.157 387 HB2 PHE 603 1HB PHE 603 3.469 -1.256 3.614 388 HB3 PHE 603 2HB PHE 603 4.202 0.322 3.348 389 HD1 PHE 603 1HD PHE 603 1.946 -2.217 1.980 390 HD2 PHE 603 2HD PHE 603 3.623 1.657 1.437 391 HE1 PHE 603 1HE PHE 603 0.261 -1.735 0.254 392 HE2 PHE 603 2HE PHE 603 1.940 2.146 -0.290 393 HZ PHE 603 HZ PHE 603 0.256 0.450 -0.883 394 HA PRO 604 HA PRO 604 4.907 -5.251 0.981 395 HB2 PRO 604 1HB PRO 604 3.522 -6.654 2.848 396 HB3 PRO 604 2HB PRO 604 5.263 -6.370 2.956 397 HG2 PRO 604 1HG PRO 604 3.020 -4.934 4.325 398 HG3 PRO 604 2HG PRO 604 4.577 -5.467 4.987 399 HD2 PRO 604 1HD PRO 604 4.107 -2.905 4.245 400 HD3 PRO 604 2HD PRO 604 5.708 -3.661 4.111 401 H SER 605 H SER 605 3.461 -5.736 -0.541 402 HA SER 605 HA SER 605 0.900 -4.488 -0.612 403 HB2 SER 605 1HB SER 605 0.889 -5.091 -2.795 404 HB3 SER 605 2HB SER 605 2.576 -5.513 -2.511 405 HG SER 605 HG SER 605 1.944 -7.644 -2.164 406 H ASP 606 H ASP 606 2.005 -7.212 0.968 407 HA ASP 606 HA ASP 606 -0.058 -9.068 0.663 408 HB2 ASP 606 1HB ASP 606 2.006 -9.650 1.799 409 HB3 ASP 606 2HB ASP 606 1.671 -8.483 3.076 410 H CYS 607 H CYS 607 0.056 -6.073 2.401 411 HA CYS 607 HA CYS 607 -2.368 -6.670 3.899 412 HB2 CYS 607 1HB CYS 607 -0.845 -4.062 3.796 413 HB3 CYS 607 2HB CYS 607 -2.019 -4.567 5.007 414 HG CYS 607 HG CYS 607 0.673 -6.560 4.685 415 H LEU 608 H LEU 608 -1.737 -5.799 0.823 416 HA LEU 608 HA LEU 608 -4.054 -3.999 0.618 417 HB2 LEU 608 1HB LEU 608 -1.515 -4.242 -0.839 418 HB3 LEU 608 2HB LEU 608 -2.930 -3.977 -1.856 419 HG LEU 608 HG LEU 608 -1.591 -1.932 -1.122 420 HD11 LEU 608 1HD1 LEU 608 -4.063 -0.984 -0.308 421 HD12 LEU 608 2HD1 LEU 608 -4.444 -2.375 -1.324 422 HD13 LEU 608 3HD1 LEU 608 -3.455 -1.061 -1.962 423 HD21 LEU 608 1HD2 LEU 608 -1.735 -2.939 1.343 424 HD22 LEU 608 2HD2 LEU 608 -3.183 -1.933 1.374 425 HD23 LEU 608 3HD2 LEU 608 -1.612 -1.208 1.028 426 H GLU 609 H GLU 609 -5.419 -4.289 -1.339 427 HA GLU 609 HA GLU 609 -5.431 -6.840 -2.648 428 HB2 GLU 609 1HB GLU 609 -7.201 -6.329 -0.321 429 HB3 GLU 609 2HB GLU 609 -7.937 -7.103 -1.718 430 HG2 GLU 609 1HG GLU 609 -5.824 -8.659 -1.547 431 HG3 GLU 609 2HG GLU 609 -5.844 -8.114 0.129 432 H GLU 610 H GLU 610 -6.687 -6.844 -4.482 433 HA GLU 610 HA GLU 610 -7.266 -4.465 -5.741 434 HB2 GLU 610 1HB GLU 610 -7.966 -7.297 -6.188 435 HB3 GLU 610 2HB GLU 610 -9.020 -6.132 -6.974 436 HG2 GLU 610 1HG GLU 610 -6.787 -5.068 -7.780 437 HG3 GLU 610 2HG GLU 610 -6.119 -6.658 -7.413 438 H VAL 611 H VAL 611 -8.528 -2.942 -4.850 439 HA VAL 611 HA VAL 611 -10.785 -3.403 -3.242 440 HB VAL 611 HB VAL 611 -9.589 -1.274 -3.211 441 HG11 VAL 611 1HG1 VAL 611 -9.725 -1.439 -5.973 442 HG12 VAL 611 2HG1 VAL 611 -10.806 -0.104 -5.568 443 HG13 VAL 611 3HG1 VAL 611 -9.125 -0.074 -5.032 444 HG21 VAL 611 1HG2 VAL 611 -11.421 -0.142 -2.574 445 HG22 VAL 611 2HG2 VAL 611 -12.196 -0.312 -4.148 446 HG23 VAL 611 3HG2 VAL 611 -12.280 -1.629 -2.979 447 H ALA 612 H ALA 612 -12.986 -3.306 -3.660 448 HA ALA 612 HA ALA 612 -14.171 -2.703 -6.124 449 HB1 ALA 612 1HB ALA 612 -12.973 -5.308 -6.021 450 HB2 ALA 612 2HB ALA 612 -14.723 -5.449 -6.200 451 HB3 ALA 612 3HB ALA 612 -13.792 -4.506 -7.361 452 H ASN 613 H ASN 613 -16.314 -2.456 -5.840 453 HA ASN 613 HA ASN 613 -17.433 -3.319 -3.281 454 HB2 ASN 613 1HB ASN 613 -19.122 -1.649 -3.602 455 HB3 ASN 613 2HB ASN 613 -17.573 -0.914 -4.011 456 HD21 ASN 613 1HD2 ASN 613 -18.334 -0.382 -7.371 457 HD22 ASN 613 2HD2 ASN 613 -17.104 -0.448 -6.161 Start of MODEL 6 1 H1 MET 553 H MET 553 4.518 -2.725 -14.044 2 HA MET 553 HA MET 553 6.062 -0.796 -12.708 3 HB2 MET 553 1HB MET 553 6.327 -1.865 -15.078 4 HB3 MET 553 2HB MET 553 5.336 -0.509 -15.602 5 HG2 MET 553 1HG MET 553 6.991 1.025 -14.569 6 HG3 MET 553 2HG MET 553 8.004 -0.374 -14.220 7 HE1 MET 553 1HE MET 553 7.247 1.942 -17.916 8 HE2 MET 553 2HE MET 553 7.001 2.282 -16.203 9 HE3 MET 553 3HE MET 553 8.615 2.406 -16.903 10 H VAL 554 H VAL 554 4.225 0.102 -11.413 11 HA VAL 554 HA VAL 554 2.730 1.752 -10.914 12 HB VAL 554 HB VAL 554 4.160 3.210 -13.142 13 HG11 VAL 554 1HG1 VAL 554 2.173 4.021 -11.096 14 HG12 VAL 554 2HG1 VAL 554 3.494 5.141 -11.440 15 HG13 VAL 554 3HG1 VAL 554 2.419 4.617 -12.737 16 HG21 VAL 554 1HG2 VAL 554 5.218 4.193 -10.868 17 HG22 VAL 554 2HG2 VAL 554 4.918 2.527 -10.373 18 HG23 VAL 554 3HG2 VAL 554 5.930 2.860 -11.779 19 HA PRO 555 HA PRO 555 -0.046 0.590 -14.450 20 HB2 PRO 555 1HB PRO 555 -2.000 -0.448 -12.876 21 HB3 PRO 555 2HB PRO 555 -0.618 -1.394 -13.442 22 HG2 PRO 555 1HG PRO 555 -1.052 -0.073 -10.791 23 HG3 PRO 555 2HG PRO 555 -0.394 -1.680 -11.145 24 HD2 PRO 555 1HD PRO 555 1.180 0.437 -10.541 25 HD3 PRO 555 2HD PRO 555 1.697 -0.852 -11.648 26 H GLY 556 H GLY 556 -1.070 1.826 -11.256 27 HA2 GLY 556 1HA GLY 556 -1.881 4.108 -11.072 28 HA3 GLY 556 2HA GLY 556 -2.576 3.928 -12.677 29 H ARG 557 H ARG 557 -2.920 1.199 -10.662 30 HA ARG 557 HA ARG 557 -5.782 1.688 -10.479 31 HB2 ARG 557 1HB ARG 557 -5.001 -0.497 -11.273 32 HB3 ARG 557 2HB ARG 557 -4.144 -0.748 -9.759 33 HG2 ARG 557 1HG ARG 557 -6.017 -1.303 -8.631 34 HG3 ARG 557 2HG ARG 557 -7.027 -0.175 -9.537 35 HD2 ARG 557 1HD ARG 557 -5.991 -2.827 -10.533 36 HD3 ARG 557 2HD ARG 557 -7.641 -2.492 -10.006 37 HE ARG 557 HE ARG 557 -6.463 -1.832 -12.540 38 HH11 ARG 557 1HH1 ARG 557 -9.954 -0.230 -11.410 39 HH12 ARG 557 2HH1 ARG 557 -8.932 -0.987 -10.234 40 HH21 ARG 557 1HH2 ARG 557 -9.310 -0.147 -13.607 41 HH22 ARG 557 2HH2 ARG 557 -7.800 -0.838 -14.097 42 H SER 558 H SER 558 -6.966 1.489 -8.517 43 HA SER 558 HA SER 558 -5.405 2.307 -6.168 44 HB2 SER 558 1HB SER 558 -7.747 3.018 -5.332 45 HB3 SER 558 2HB SER 558 -6.996 3.979 -6.605 46 HG SER 558 HG SER 558 -9.027 3.588 -7.315 47 H PHE 559 H PHE 559 -4.972 0.708 -4.808 48 HA PHE 559 HA PHE 559 -6.859 -1.519 -4.557 49 HB2 PHE 559 1HB PHE 559 -3.950 -1.197 -3.842 50 HB3 PHE 559 2HB PHE 559 -4.909 -2.544 -3.236 51 HD1 PHE 559 1HD PHE 559 -5.152 -4.466 -4.508 52 HD2 PHE 559 2HD PHE 559 -3.875 -0.866 -6.386 53 HE1 PHE 559 1HE PHE 559 -4.722 -5.707 -6.588 54 HE2 PHE 559 2HE PHE 559 -3.444 -2.101 -8.470 55 HZ PHE 559 HZ PHE 559 -3.866 -4.525 -8.573 56 H MET 560 H MET 560 -7.356 -2.363 -2.425 57 HA MET 560 HA MET 560 -7.481 -0.216 -0.416 58 HB2 MET 560 1HB MET 560 -9.669 -0.963 -1.241 59 HB3 MET 560 2HB MET 560 -9.287 -2.614 -0.769 60 HG2 MET 560 1HG MET 560 -8.967 -1.582 1.592 61 HG3 MET 560 2HG MET 560 -9.932 -0.259 0.941 62 HE1 MET 560 1HE MET 560 -9.448 -3.709 1.835 63 HE2 MET 560 2HE MET 560 -10.859 -3.869 2.881 64 HE3 MET 560 3HE MET 560 -10.862 -4.605 1.279 65 H ALA 561 H ALA 561 -6.795 -0.573 1.649 66 HA ALA 561 HA ALA 561 -5.050 -2.836 2.060 67 HB1 ALA 561 1HB ALA 561 -5.287 -1.367 4.449 68 HB2 ALA 561 2HB ALA 561 -3.968 -1.332 3.278 69 HB3 ALA 561 3HB ALA 561 -5.309 -0.198 3.129 70 H VAL 562 H VAL 562 -5.682 -4.708 2.888 71 HA VAL 562 HA VAL 562 -8.260 -4.937 4.197 72 HB VAL 562 HB VAL 562 -7.747 -7.381 4.229 73 HG11 VAL 562 1HG1 VAL 562 -7.967 -5.704 1.815 74 HG12 VAL 562 2HG1 VAL 562 -7.507 -7.388 1.549 75 HG13 VAL 562 3HG1 VAL 562 -9.007 -7.004 2.395 76 HG21 VAL 562 1HG2 VAL 562 -5.245 -7.005 4.272 77 HG22 VAL 562 2HG2 VAL 562 -5.820 -8.264 3.181 78 HG23 VAL 562 3HG2 VAL 562 -5.355 -6.687 2.541 79 H LYS 563 H LYS 563 -5.107 -4.347 5.153 80 HA LYS 563 HA LYS 563 -5.785 -4.706 7.930 81 HB2 LYS 563 1HB LYS 563 -3.795 -6.118 8.425 82 HB3 LYS 563 2HB LYS 563 -5.023 -6.945 7.476 83 HG2 LYS 563 1HG LYS 563 -3.458 -5.955 5.509 84 HG3 LYS 563 2HG LYS 563 -2.265 -6.219 6.782 85 HD2 LYS 563 1HD LYS 563 -4.243 -8.302 5.866 86 HD3 LYS 563 2HD LYS 563 -2.596 -8.166 5.246 87 HE2 LYS 563 1HE LYS 563 -1.695 -8.556 7.454 88 HE3 LYS 563 2HE LYS 563 -3.315 -8.558 8.149 89 HZ1 LYS 563 1HZ LYS 563 -3.275 -10.744 7.837 90 HZ2 LYS 563 2HZ LYS 563 -1.889 -10.675 6.870 91 HZ3 LYS 563 3HZ LYS 563 -3.415 -10.445 6.177 92 H SER 564 H SER 564 -4.390 -3.589 9.342 93 HA SER 564 HA SER 564 -3.033 -1.373 8.113 94 HB2 SER 564 1HB SER 564 -2.760 -0.522 10.358 95 HB3 SER 564 2HB SER 564 -4.392 -1.179 10.211 96 HG SER 564 HG SER 564 -3.805 -2.201 11.969 97 H TYR 565 H TYR 565 -0.836 -0.788 8.444 98 HA TYR 565 HA TYR 565 0.944 -3.007 9.195 99 HB2 TYR 565 1HB TYR 565 0.898 -2.940 6.773 100 HB3 TYR 565 2HB TYR 565 1.209 -1.207 6.778 101 HD1 TYR 565 1HD TYR 565 3.374 -0.505 6.398 102 HD2 TYR 565 2HD TYR 565 2.739 -4.370 8.061 103 HE1 TYR 565 1HE TYR 565 5.793 -0.937 6.305 104 HE2 TYR 565 2HE TYR 565 5.157 -4.812 7.972 105 HH TYR 565 HH TYR 565 7.453 -2.318 7.182 106 H GLN 566 H GLN 566 2.872 -2.442 10.183 107 HA GLN 566 HA GLN 566 3.039 0.364 11.055 108 HB2 GLN 566 1HB GLN 566 2.655 -1.347 12.829 109 HB3 GLN 566 2HB GLN 566 4.198 -2.077 12.406 110 HG2 GLN 566 1HG GLN 566 5.374 -0.078 13.062 111 HG3 GLN 566 2HG GLN 566 3.849 0.751 13.370 112 HE21 GLN 566 1HE2 GLN 566 4.371 -0.094 16.709 113 HE22 GLN 566 2HE2 GLN 566 4.352 1.151 15.511 114 H ALA 567 H ALA 567 4.508 1.458 9.934 115 HA ALA 567 HA ALA 567 6.522 0.456 8.342 116 HB1 ALA 567 1HB ALA 567 7.335 2.636 8.154 117 HB2 ALA 567 2HB ALA 567 5.625 2.850 8.530 118 HB3 ALA 567 3HB ALA 567 6.839 3.062 9.791 119 H GLN 568 H GLN 568 8.469 -0.412 8.675 120 HA GLN 568 HA GLN 568 9.587 -0.288 11.397 121 HB2 GLN 568 1HB GLN 568 10.115 -2.468 9.384 122 HB3 GLN 568 2HB GLN 568 10.486 -2.475 11.104 123 HG2 GLN 568 1HG GLN 568 8.107 -2.521 11.625 124 HG3 GLN 568 2HG GLN 568 7.726 -2.497 9.905 125 HE21 GLN 568 1HE2 GLN 568 9.065 -5.844 9.429 126 HE22 GLN 568 2HE2 GLN 568 9.255 -4.266 8.753 127 H ALA 569 H ALA 569 10.323 -0.234 7.950 128 HA ALA 569 HA ALA 569 13.132 0.236 8.357 129 HB1 ALA 569 1HB ALA 569 11.620 0.690 5.800 130 HB2 ALA 569 2HB ALA 569 13.324 0.288 6.012 131 HB3 ALA 569 3HB ALA 569 12.085 -0.919 6.354 132 H GLU 570 H GLU 570 13.724 2.207 6.528 133 HA GLU 570 HA GLU 570 12.978 4.577 8.040 134 HB2 GLU 570 1HB GLU 570 14.759 4.820 5.686 135 HB3 GLU 570 2HB GLU 570 14.908 5.524 7.290 136 HG2 GLU 570 1HG GLU 570 15.388 3.047 7.993 137 HG3 GLU 570 2HG GLU 570 15.807 2.870 6.291 138 H GLY 571 H GLY 571 12.704 3.302 4.755 139 HA2 GLY 571 1HA GLY 571 11.170 5.660 3.939 140 HA3 GLY 571 2HA GLY 571 11.763 4.392 2.877 141 H GLU 572 H GLU 572 10.418 2.970 5.561 142 HA GLU 572 HA GLU 572 8.095 2.141 4.050 143 HB2 GLU 572 1HB GLU 572 9.610 1.149 6.325 144 HB3 GLU 572 2HB GLU 572 7.878 1.067 6.609 145 HG2 GLU 572 1HG GLU 572 7.635 -0.654 5.231 146 HG3 GLU 572 2HG GLU 572 8.589 0.123 3.967 147 H ILE 573 H ILE 573 5.930 2.317 4.776 148 HA ILE 573 HA ILE 573 5.464 4.464 6.740 149 HB ILE 573 HB ILE 573 3.446 5.086 5.348 150 HG12 ILE 573 1HG1 ILE 573 4.786 3.966 2.952 151 HG13 ILE 573 2HG1 ILE 573 3.933 2.817 3.976 152 HG21 ILE 573 1HG2 ILE 573 4.808 6.392 3.706 153 HG22 ILE 573 2HG2 ILE 573 5.344 6.531 5.379 154 HG23 ILE 573 3HG2 ILE 573 6.223 5.495 4.255 155 HD11 ILE 573 1HD1 ILE 573 2.878 4.551 2.019 156 HD12 ILE 573 2HD1 ILE 573 2.018 3.413 3.056 157 HD13 ILE 573 3HD1 ILE 573 2.263 5.077 3.584 158 H SER 574 H SER 574 3.107 4.482 7.467 159 HA SER 574 HA SER 574 2.407 1.756 8.226 160 HB2 SER 574 1HB SER 574 1.087 2.723 9.970 161 HB3 SER 574 2HB SER 574 2.598 3.633 9.917 162 HG SER 574 HG SER 574 0.076 4.508 9.563 163 H LEU 575 H LEU 575 0.046 1.209 8.337 164 HA LEU 575 HA LEU 575 -1.464 2.397 6.111 165 HB2 LEU 575 1HB LEU 575 -0.568 -0.377 6.462 166 HB3 LEU 575 2HB LEU 575 -2.273 -0.200 6.050 167 HG LEU 575 HG LEU 575 -1.441 1.257 4.101 168 HD11 LEU 575 1HD1 LEU 575 0.836 0.577 3.321 169 HD12 LEU 575 2HD1 LEU 575 1.108 -0.120 4.917 170 HD13 LEU 575 3HD1 LEU 575 0.823 1.612 4.749 171 HD21 LEU 575 1HD2 LEU 575 -2.137 -0.566 3.044 172 HD22 LEU 575 2HD2 LEU 575 -1.733 -1.577 4.430 173 HD23 LEU 575 3HD2 LEU 575 -0.512 -1.234 3.204 174 H SER 576 H SER 576 -3.814 1.563 6.172 175 HA SER 576 HA SER 576 -4.750 1.156 8.918 176 HB2 SER 576 1HB SER 576 -5.299 3.517 7.183 177 HB3 SER 576 2HB SER 576 -6.630 2.894 8.159 178 HG SER 576 HG SER 576 -4.988 2.990 9.939 179 H LYS 577 H LYS 577 -6.095 -0.504 8.953 180 HA LYS 577 HA LYS 577 -6.994 -1.917 6.759 181 HB2 LYS 577 1HB LYS 577 -7.011 -2.477 9.322 182 HB3 LYS 577 2HB LYS 577 -8.650 -1.840 9.255 183 HG2 LYS 577 1HG LYS 577 -7.869 -3.881 7.247 184 HG3 LYS 577 2HG LYS 577 -8.131 -4.404 8.912 185 HD2 LYS 577 1HD LYS 577 -10.302 -2.829 8.522 186 HD3 LYS 577 2HD LYS 577 -10.055 -3.461 6.894 187 HE2 LYS 577 1HE LYS 577 -11.412 -5.083 7.784 188 HE3 LYS 577 2HE LYS 577 -9.820 -5.748 8.148 189 HZ1 LYS 577 1HZ LYS 577 -10.027 -5.279 10.362 190 HZ2 LYS 577 2HZ LYS 577 -11.641 -5.612 9.980 191 HZ3 LYS 577 3HZ LYS 577 -11.119 -4.009 10.124 192 H GLY 578 H GLY 578 -8.448 -1.514 5.233 193 HA2 GLY 578 1HA GLY 578 -10.580 -0.935 4.419 194 HA3 GLY 578 2HA GLY 578 -10.874 -0.030 5.895 195 H GLU 579 H GLU 579 -7.870 0.850 4.973 196 HA GLU 579 HA GLU 579 -8.845 3.340 3.837 197 HB2 GLU 579 1HB GLU 579 -6.963 2.961 5.655 198 HB3 GLU 579 2HB GLU 579 -5.940 2.783 4.236 199 HG2 GLU 579 1HG GLU 579 -5.950 5.069 5.144 200 HG3 GLU 579 2HG GLU 579 -6.513 4.984 3.476 201 H LYS 580 H LYS 580 -8.507 4.043 1.790 202 HA LYS 580 HA LYS 580 -7.810 2.086 -0.192 203 HB2 LYS 580 1HB LYS 580 -9.575 3.997 -0.323 204 HB3 LYS 580 2HB LYS 580 -8.206 5.002 -0.778 205 HG2 LYS 580 1HG LYS 580 -9.253 4.270 -2.776 206 HG3 LYS 580 2HG LYS 580 -7.733 3.384 -2.623 207 HD2 LYS 580 1HD LYS 580 -9.446 1.850 -3.313 208 HD3 LYS 580 2HD LYS 580 -9.012 1.487 -1.642 209 HE2 LYS 580 1HE LYS 580 -11.439 1.427 -1.994 210 HE3 LYS 580 2HE LYS 580 -10.970 2.684 -0.850 211 HZ1 LYS 580 1HZ LYS 580 -11.711 4.289 -2.195 212 HZ2 LYS 580 2HZ LYS 580 -12.589 3.063 -2.959 213 HZ3 LYS 580 3HZ LYS 580 -11.104 3.560 -3.595 214 H ILE 581 H ILE 581 -5.753 1.596 -0.580 215 HA ILE 581 HA ILE 581 -3.697 3.660 -0.308 216 HB ILE 581 HB ILE 581 -3.096 0.797 -0.947 217 HG12 ILE 581 1HG1 ILE 581 -4.647 0.635 0.903 218 HG13 ILE 581 2HG1 ILE 581 -3.018 0.345 1.503 219 HG21 ILE 581 1HG2 ILE 581 -1.686 3.119 0.275 220 HG22 ILE 581 2HG2 ILE 581 -1.197 1.487 0.725 221 HG23 ILE 581 3HG2 ILE 581 -1.136 1.990 -0.965 222 HD11 ILE 581 1HD1 ILE 581 -3.447 1.850 3.067 223 HD12 ILE 581 2HD1 ILE 581 -3.389 3.076 1.801 224 HD13 ILE 581 3HD1 ILE 581 -4.932 2.358 2.264 225 H LYS 582 H LYS 582 -2.521 4.427 -1.980 226 HA LYS 582 HA LYS 582 -3.167 3.382 -4.660 227 HB2 LYS 582 1HB LYS 582 -4.024 5.606 -4.461 228 HB3 LYS 582 2HB LYS 582 -2.525 6.187 -3.747 229 HG2 LYS 582 1HG LYS 582 -2.767 6.902 -6.067 230 HG3 LYS 582 2HG LYS 582 -1.363 5.853 -5.849 231 HD2 LYS 582 1HD LYS 582 -2.328 4.102 -6.994 232 HD3 LYS 582 2HD LYS 582 -3.972 4.644 -6.649 233 HE2 LYS 582 1HE LYS 582 -2.248 6.388 -8.326 234 HE3 LYS 582 2HE LYS 582 -2.876 4.908 -9.049 235 HZ1 LYS 582 1HZ LYS 582 -5.119 5.644 -8.351 236 HZ2 LYS 582 2HZ LYS 582 -4.398 6.671 -9.484 237 HZ3 LYS 582 3HZ LYS 582 -4.456 7.118 -7.853 238 H VAL 583 H VAL 583 -1.530 2.113 -5.275 239 HA VAL 583 HA VAL 583 1.156 2.451 -4.402 240 HB VAL 583 HB VAL 583 0.288 0.249 -5.023 241 HG11 VAL 583 1HG1 VAL 583 -1.123 1.154 -6.920 242 HG12 VAL 583 2HG1 VAL 583 0.349 1.143 -7.894 243 HG13 VAL 583 3HG1 VAL 583 -0.283 -0.365 -7.232 244 HG21 VAL 583 1HG2 VAL 583 2.508 -0.035 -5.196 245 HG22 VAL 583 2HG2 VAL 583 2.201 -0.085 -6.933 246 HG23 VAL 583 3HG2 VAL 583 2.719 1.419 -6.171 247 H LEU 584 H LEU 584 2.622 3.829 -5.136 248 HA LEU 584 HA LEU 584 2.209 5.062 -7.772 249 HB2 LEU 584 1HB LEU 584 4.022 6.006 -5.562 250 HB3 LEU 584 2HB LEU 584 3.551 6.890 -7.011 251 HG LEU 584 HG LEU 584 1.630 6.107 -4.823 252 HD11 LEU 584 1HD1 LEU 584 3.651 7.904 -4.519 253 HD12 LEU 584 2HD1 LEU 584 2.109 7.962 -3.667 254 HD13 LEU 584 3HD1 LEU 584 2.349 8.928 -5.122 255 HD21 LEU 584 1HD2 LEU 584 1.407 8.045 -7.124 256 HD22 LEU 584 2HD2 LEU 584 0.187 7.776 -5.881 257 HD23 LEU 584 3HD2 LEU 584 0.604 6.480 -7.003 258 H SER 585 H SER 585 4.389 3.127 -5.894 259 HA SER 585 HA SER 585 6.099 2.826 -8.259 260 HB2 SER 585 1HB SER 585 6.875 4.053 -5.782 261 HB3 SER 585 2HB SER 585 7.780 2.555 -5.997 262 HG SER 585 HG SER 585 8.094 3.450 -8.249 263 H ILE 586 H ILE 586 7.642 0.901 -7.912 264 HA ILE 586 HA ILE 586 6.456 -1.201 -6.264 265 HB ILE 586 HB ILE 586 6.647 -2.794 -8.229 266 HG12 ILE 586 1HG1 ILE 586 6.272 -0.430 -10.010 267 HG13 ILE 586 2HG1 ILE 586 7.910 -0.856 -9.528 268 HG21 ILE 586 1HG2 ILE 586 4.539 -1.600 -7.247 269 HG22 ILE 586 2HG2 ILE 586 4.543 -0.758 -8.796 270 HG23 ILE 586 3HG2 ILE 586 4.424 -2.517 -8.750 271 HD11 ILE 586 1HD1 ILE 586 7.367 -3.196 -10.355 272 HD12 ILE 586 2HD1 ILE 586 5.950 -2.470 -11.116 273 HD13 ILE 586 3HD1 ILE 586 7.567 -1.932 -11.570 274 H GLY 587 H GLY 587 7.845 -3.307 -6.614 275 HA2 GLY 587 1HA GLY 587 10.682 -2.558 -6.878 276 HA3 GLY 587 2HA GLY 587 10.126 -3.413 -5.447 277 H GLU 588 H GLU 588 9.712 -5.597 -5.549 278 HA GLU 588 HA GLU 588 9.926 -6.949 -8.123 279 HB2 GLU 588 1HB GLU 588 12.226 -6.903 -7.430 280 HB3 GLU 588 2HB GLU 588 11.801 -7.430 -5.807 281 HG2 GLU 588 1HG GLU 588 12.806 -9.204 -7.197 282 HG3 GLU 588 2HG GLU 588 11.197 -9.604 -6.599 283 H GLY 589 H GLY 589 10.220 -8.089 -4.766 284 HA2 GLY 589 1HA GLY 589 8.377 -10.209 -5.165 285 HA3 GLY 589 2HA GLY 589 9.017 -9.674 -3.618 286 H GLY 590 H GLY 590 7.253 -9.548 -2.351 287 HA2 GLY 590 1HA GLY 590 4.806 -8.348 -3.395 288 HA3 GLY 590 2HA GLY 590 4.993 -9.151 -1.843 289 H PHE 591 H PHE 591 7.075 -6.597 -3.082 290 HA PHE 591 HA PHE 591 5.995 -4.801 -1.012 291 HB2 PHE 591 1HB PHE 591 8.608 -5.886 -1.180 292 HB3 PHE 591 2HB PHE 591 8.736 -4.177 -1.583 293 HD1 PHE 591 1HD PHE 591 8.251 -2.473 0.051 294 HD2 PHE 591 2HD PHE 591 7.885 -6.602 1.017 295 HE1 PHE 591 1HE PHE 591 8.158 -1.902 2.442 296 HE2 PHE 591 2HE PHE 591 7.791 -6.038 3.409 297 HZ PHE 591 HZ PHE 591 7.927 -3.684 4.125 298 H TRP 592 H TRP 592 5.672 -2.697 -1.568 299 HA TRP 592 HA TRP 592 6.788 -1.563 -3.963 300 HB2 TRP 592 1HB TRP 592 4.596 -1.111 -5.039 301 HB3 TRP 592 2HB TRP 592 4.986 -2.827 -4.978 302 HD1 TRP 592 HD TRP 592 3.927 -2.051 -1.612 303 HE1 TRP 592 1HE TRP 592 1.439 -2.598 -1.241 304 HE3 TRP 592 3HE TRP 592 2.470 -2.538 -6.488 305 HZ2 TRP 592 2HZ TRP 592 -0.838 -3.163 -2.810 306 HZ3 TRP 592 3HZ TRP 592 0.119 -3.084 -6.967 307 HH2 TRP 592 HH TRP 592 -1.499 -3.390 -5.164 308 H GLU 593 H GLU 593 5.827 0.686 -4.345 309 HA GLU 593 HA GLU 593 5.491 1.956 -1.721 310 HB2 GLU 593 1HB GLU 593 7.038 2.594 -4.035 311 HB3 GLU 593 2HB GLU 593 5.878 3.888 -3.772 312 HG2 GLU 593 1HG GLU 593 7.179 3.043 -1.319 313 HG3 GLU 593 2HG GLU 593 8.321 3.605 -2.539 314 H GLY 594 H GLY 594 3.810 3.344 -1.276 315 HA2 GLY 594 1HA GLY 594 1.886 4.015 -3.344 316 HA3 GLY 594 2HA GLY 594 1.300 2.904 -2.114 317 H GLN 595 H GLN 595 -0.252 4.770 -1.884 318 HA GLN 595 HA GLN 595 0.785 6.587 0.178 319 HB2 GLN 595 1HB GLN 595 0.658 7.967 -1.762 320 HB3 GLN 595 2HB GLN 595 -0.917 7.321 -2.200 321 HG2 GLN 595 1HG GLN 595 -0.777 8.602 0.438 322 HG3 GLN 595 2HG GLN 595 -0.527 9.673 -0.941 323 HE21 GLN 595 1HE2 GLN 595 -3.817 8.864 -2.297 324 HE22 GLN 595 2HE2 GLN 595 -2.170 8.838 -2.819 325 H VAL 596 H VAL 596 -0.483 6.801 1.936 326 HA VAL 596 HA VAL 596 -3.241 5.795 1.805 327 HB VAL 596 HB VAL 596 -1.895 3.997 2.749 328 HG11 VAL 596 1HG1 VAL 596 -0.159 4.355 4.086 329 HG12 VAL 596 2HG1 VAL 596 -0.448 6.089 3.929 330 HG13 VAL 596 3HG1 VAL 596 -1.177 5.189 5.260 331 HG21 VAL 596 1HG2 VAL 596 -4.194 5.014 3.798 332 HG22 VAL 596 2HG2 VAL 596 -3.462 3.481 4.274 333 HG23 VAL 596 3HG2 VAL 596 -3.157 4.936 5.222 334 H LYS 597 H LYS 597 -4.584 7.333 2.445 335 HA LYS 597 HA LYS 597 -5.265 9.370 3.281 336 HB2 LYS 597 1HB LYS 597 -5.135 9.355 5.828 337 HB3 LYS 597 2HB LYS 597 -5.966 8.005 5.068 338 HG2 LYS 597 1HG LYS 597 -4.682 6.954 6.662 339 HG3 LYS 597 2HG LYS 597 -3.666 6.822 5.224 340 HD2 LYS 597 1HD LYS 597 -2.326 7.501 7.127 341 HD3 LYS 597 2HD LYS 597 -2.415 8.817 5.954 342 HE2 LYS 597 1HE LYS 597 -3.057 10.123 7.642 343 HE3 LYS 597 2HE LYS 597 -4.587 9.248 7.620 344 HZ1 LYS 597 1HZ LYS 597 -2.908 9.400 9.731 345 HZ2 LYS 597 2HZ LYS 597 -2.507 7.894 9.073 346 HZ3 LYS 597 3HZ LYS 597 -4.104 8.221 9.524 347 H GLY 598 H GLY 598 -2.618 9.524 2.216 348 HA2 GLY 598 1HA GLY 598 -1.417 11.639 2.207 349 HA3 GLY 598 2HA GLY 598 -1.544 11.651 3.960 350 H ARG 599 H ARG 599 -0.705 9.200 4.706 351 HA ARG 599 HA ARG 599 2.075 9.398 4.600 352 HB2 ARG 599 1HB ARG 599 0.190 7.211 5.409 353 HB3 ARG 599 2HB ARG 599 1.923 6.912 5.373 354 HG2 ARG 599 1HG ARG 599 2.061 9.057 6.827 355 HG3 ARG 599 2HG ARG 599 0.354 8.736 7.139 356 HD2 ARG 599 1HD ARG 599 0.845 6.601 8.069 357 HD3 ARG 599 2HD ARG 599 2.520 6.680 7.523 358 HE ARG 599 HE ARG 599 1.753 8.778 9.348 359 HH11 ARG 599 1HH1 ARG 599 3.832 5.576 10.556 360 HH12 ARG 599 2HH1 ARG 599 3.037 5.559 9.016 361 HH21 ARG 599 1HH2 ARG 599 3.693 7.428 11.898 362 HH22 ARG 599 2HH2 ARG 599 2.795 8.813 11.377 363 H VAL 600 H VAL 600 3.228 9.261 2.783 364 HA VAL 600 HA VAL 600 2.616 7.074 0.903 365 HB VAL 600 HB VAL 600 4.128 9.598 0.239 366 HG11 VAL 600 1HG1 VAL 600 4.416 7.502 -1.156 367 HG12 VAL 600 2HG1 VAL 600 2.725 7.698 -1.621 368 HG13 VAL 600 3HG1 VAL 600 3.901 8.952 -2.019 369 HG21 VAL 600 1HG2 VAL 600 2.188 10.689 0.321 370 HG22 VAL 600 2HG2 VAL 600 1.663 9.700 -1.041 371 HG23 VAL 600 3HG2 VAL 600 1.286 9.199 0.607 372 H GLY 601 H GLY 601 4.073 5.503 0.740 373 HA2 GLY 601 1HA GLY 601 6.863 5.907 0.653 374 HA3 GLY 601 2HA GLY 601 6.411 5.387 2.270 375 H TRP 602 H TRP 602 7.609 3.463 2.002 376 HA TRP 602 HA TRP 602 6.613 1.579 -0.009 377 HB2 TRP 602 1HB TRP 602 9.007 1.362 1.832 378 HB3 TRP 602 2HB TRP 602 8.580 0.225 0.556 379 HD1 TRP 602 HD TRP 602 9.215 4.065 0.698 380 HE1 TRP 602 1HE TRP 602 10.656 4.694 -1.340 381 HE3 TRP 602 3HE TRP 602 9.661 -0.557 -1.440 382 HZ2 TRP 602 2HZ TRP 602 11.829 3.401 -3.558 383 HZ3 TRP 602 3HZ TRP 602 10.958 -0.775 -3.519 384 HH2 TRP 602 HH TRP 602 12.019 1.165 -4.555 385 H PHE 603 H PHE 603 5.982 -0.552 0.568 386 HA PHE 603 HA PHE 603 5.766 -1.489 3.208 387 HB2 PHE 603 1HB PHE 603 3.384 -1.235 3.625 388 HB3 PHE 603 2HB PHE 603 4.118 0.349 3.403 389 HD1 PHE 603 1HD PHE 603 1.912 -2.177 1.925 390 HD2 PHE 603 2HD PHE 603 3.560 1.727 1.524 391 HE1 PHE 603 1HE PHE 603 0.261 -1.663 0.173 392 HE2 PHE 603 2HE PHE 603 1.913 2.247 -0.227 393 HZ PHE 603 HZ PHE 603 0.260 0.552 -0.904 394 HA PRO 604 HA PRO 604 4.910 -5.219 1.062 395 HB2 PRO 604 1HB PRO 604 3.535 -6.624 2.935 396 HB3 PRO 604 2HB PRO 604 5.271 -6.314 3.050 397 HG2 PRO 604 1HG PRO 604 3.001 -4.898 4.392 398 HG3 PRO 604 2HG PRO 604 4.561 -5.401 5.068 399 HD2 PRO 604 1HD PRO 604 4.060 -2.854 4.300 400 HD3 PRO 604 2HD PRO 604 5.673 -3.588 4.182 401 H SER 605 H SER 605 3.467 -5.807 -0.434 402 HA SER 605 HA SER 605 0.900 -4.568 -0.557 403 HB2 SER 605 1HB SER 605 0.909 -5.224 -2.723 404 HB3 SER 605 2HB SER 605 2.596 -5.639 -2.418 405 HG SER 605 HG SER 605 0.547 -7.259 -3.025 406 H ASP 606 H ASP 606 2.016 -7.228 1.113 407 HA ASP 606 HA ASP 606 -0.023 -9.116 0.849 408 HB2 ASP 606 1HB ASP 606 2.154 -9.431 2.066 409 HB3 ASP 606 2HB ASP 606 1.482 -8.491 3.394 410 H CYS 607 H CYS 607 0.043 -6.069 2.498 411 HA CYS 607 HA CYS 607 -2.414 -6.649 3.958 412 HB2 CYS 607 1HB CYS 607 -0.915 -4.032 3.893 413 HB3 CYS 607 2HB CYS 607 -2.066 -4.586 5.102 414 HG CYS 607 HG CYS 607 0.495 -6.671 4.864 415 H LEU 608 H LEU 608 -1.721 -5.836 0.894 416 HA LEU 608 HA LEU 608 -4.020 -4.018 0.622 417 HB2 LEU 608 1HB LEU 608 -1.422 -4.205 -0.711 418 HB3 LEU 608 2HB LEU 608 -2.781 -4.014 -1.817 419 HG LEU 608 HG LEU 608 -1.614 -1.893 -1.122 420 HD11 LEU 608 1HD1 LEU 608 -4.423 -2.485 -1.300 421 HD12 LEU 608 2HD1 LEU 608 -3.530 -1.084 -1.891 422 HD13 LEU 608 3HD1 LEU 608 -4.141 -1.105 -0.237 423 HD21 LEU 608 1HD2 LEU 608 -1.625 -1.125 1.013 424 HD22 LEU 608 2HD2 LEU 608 -1.635 -2.854 1.363 425 HD23 LEU 608 3HD2 LEU 608 -3.140 -1.935 1.416 426 H GLU 609 H GLU 609 -5.505 -4.374 -1.107 427 HA GLU 609 HA GLU 609 -5.402 -6.863 -2.568 428 HB2 GLU 609 1HB GLU 609 -7.193 -6.460 -0.227 429 HB3 GLU 609 2HB GLU 609 -7.866 -7.272 -1.633 430 HG2 GLU 609 1HG GLU 609 -5.460 -8.119 -0.038 431 HG3 GLU 609 2HG GLU 609 -7.038 -8.903 -0.080 432 H GLU 610 H GLU 610 -6.631 -6.828 -4.407 433 HA GLU 610 HA GLU 610 -7.487 -4.312 -5.371 434 HB2 GLU 610 1HB GLU 610 -6.654 -6.298 -6.729 435 HB3 GLU 610 2HB GLU 610 -8.261 -6.984 -6.534 436 HG2 GLU 610 1HG GLU 610 -8.488 -5.961 -8.555 437 HG3 GLU 610 2HG GLU 610 -9.030 -4.672 -7.485 438 H VAL 611 H VAL 611 -9.344 -3.280 -5.090 439 HA VAL 611 HA VAL 611 -11.414 -4.178 -3.465 440 HB VAL 611 HB VAL 611 -12.751 -2.310 -4.370 441 HG11 VAL 611 1HG1 VAL 611 -11.288 -1.724 -2.619 442 HG12 VAL 611 2HG1 VAL 611 -9.873 -1.793 -3.670 443 HG13 VAL 611 3HG1 VAL 611 -11.052 -0.495 -3.861 444 HG21 VAL 611 1HG2 VAL 611 -11.701 -0.831 -6.073 445 HG22 VAL 611 2HG2 VAL 611 -10.472 -2.070 -6.332 446 HG23 VAL 611 3HG2 VAL 611 -12.162 -2.416 -6.697 447 H ALA 612 H ALA 612 -10.936 -4.521 -6.915 448 HA ALA 612 HA ALA 612 -12.037 -5.709 -8.513 449 HB1 ALA 612 1HB ALA 612 -11.705 -7.510 -6.817 450 HB2 ALA 612 2HB ALA 612 -13.333 -7.174 -6.221 451 HB3 ALA 612 3HB ALA 612 -13.099 -7.750 -7.872 452 H ASN 613 H ASN 613 -13.140 -3.307 -8.165 453 HA ASN 613 HA ASN 613 -15.874 -3.273 -7.460 454 HB2 ASN 613 1HB ASN 613 -15.944 -1.097 -8.578 455 HB3 ASN 613 2HB ASN 613 -14.499 -1.234 -7.580 456 HD21 ASN 613 1HD2 ASN 613 -13.979 0.000 -11.190 457 HD22 ASN 613 2HD2 ASN 613 -15.322 0.254 -10.133 Start of MODEL 7 1 H1 MET 553 H MET 553 4.916 -0.699 -15.046 2 HA MET 553 HA MET 553 7.357 -0.362 -13.446 3 HB2 MET 553 1HB MET 553 6.277 1.087 -15.852 4 HB3 MET 553 2HB MET 553 7.542 1.787 -14.851 5 HG2 MET 553 1HG MET 553 8.992 -0.094 -15.308 6 HG3 MET 553 2HG MET 553 7.716 -0.877 -16.238 7 HE1 MET 553 1HE MET 553 6.796 0.006 -18.529 8 HE2 MET 553 2HE MET 553 8.073 0.414 -19.675 9 HE3 MET 553 3HE MET 553 8.208 -1.039 -18.683 10 H VAL 554 H VAL 554 4.377 1.389 -14.316 11 HA VAL 554 HA VAL 554 3.981 2.236 -11.604 12 HB VAL 554 HB VAL 554 5.611 3.908 -12.150 13 HG11 VAL 554 1HG1 VAL 554 5.941 4.559 -14.246 14 HG12 VAL 554 2HG1 VAL 554 4.474 3.721 -14.755 15 HG13 VAL 554 3HG1 VAL 554 4.394 5.401 -14.222 16 HG21 VAL 554 1HG2 VAL 554 4.451 5.652 -11.313 17 HG22 VAL 554 2HG2 VAL 554 3.215 5.569 -12.568 18 HG23 VAL 554 3HG2 VAL 554 3.150 4.467 -11.194 19 HA PRO 555 HA PRO 555 0.169 1.836 -14.192 20 HB2 PRO 555 1HB PRO 555 -1.207 0.412 -12.334 21 HB3 PRO 555 2HB PRO 555 -0.116 -0.339 -13.505 22 HG2 PRO 555 1HG PRO 555 0.376 0.365 -10.637 23 HG3 PRO 555 2HG PRO 555 0.828 -1.104 -11.523 24 HD2 PRO 555 1HD PRO 555 2.587 0.892 -11.019 25 HD3 PRO 555 2HD PRO 555 2.672 -0.110 -12.482 26 H GLY 556 H GLY 556 -2.221 2.088 -13.155 27 HA2 GLY 556 1HA GLY 556 -2.162 4.226 -11.142 28 HA3 GLY 556 2HA GLY 556 -2.917 4.550 -12.696 29 H ARG 557 H ARG 557 -3.039 2.332 -9.926 30 HA ARG 557 HA ARG 557 -5.960 2.322 -10.172 31 HB2 ARG 557 1HB ARG 557 -5.185 0.262 -11.232 32 HB3 ARG 557 2HB ARG 557 -4.247 -0.141 -9.800 33 HG2 ARG 557 1HG ARG 557 -5.991 -1.197 -8.952 34 HG3 ARG 557 2HG ARG 557 -6.922 0.302 -8.983 35 HD2 ARG 557 1HD ARG 557 -6.696 -1.768 -11.160 36 HD3 ARG 557 2HD ARG 557 -8.129 -1.350 -10.222 37 HE ARG 557 HE ARG 557 -7.152 -0.015 -12.546 38 HH11 ARG 557 1HH1 ARG 557 -9.722 1.850 -10.109 39 HH12 ARG 557 2HH1 ARG 557 -8.858 0.457 -9.550 40 HH21 ARG 557 1HH2 ARG 557 -9.393 2.624 -12.241 41 HH22 ARG 557 2HH2 ARG 557 -8.281 1.819 -13.295 42 H SER 558 H SER 558 -7.041 2.381 -8.262 43 HA SER 558 HA SER 558 -5.417 2.727 -5.863 44 HB2 SER 558 1HB SER 558 -8.377 3.116 -5.846 45 HB3 SER 558 2HB SER 558 -7.119 4.026 -5.007 46 HG SER 558 HG SER 558 -6.856 5.264 -6.715 47 H PHE 559 H PHE 559 -5.104 1.066 -4.553 48 HA PHE 559 HA PHE 559 -7.020 -1.151 -4.566 49 HB2 PHE 559 1HB PHE 559 -4.140 -0.903 -3.745 50 HB3 PHE 559 2HB PHE 559 -5.121 -2.252 -3.181 51 HD1 PHE 559 1HD PHE 559 -4.204 -0.492 -6.335 52 HD2 PHE 559 2HD PHE 559 -5.191 -4.174 -4.441 53 HE1 PHE 559 1HE PHE 559 -3.756 -1.689 -8.438 54 HE2 PHE 559 2HE PHE 559 -4.745 -5.376 -6.540 55 HZ PHE 559 HZ PHE 559 -4.026 -4.135 -8.542 56 H MET 560 H MET 560 -7.302 -2.266 -2.393 57 HA MET 560 HA MET 560 -7.696 -0.222 -0.308 58 HB2 MET 560 1HB MET 560 -9.814 -1.045 -1.220 59 HB3 MET 560 2HB MET 560 -9.339 -2.699 -0.859 60 HG2 MET 560 1HG MET 560 -9.079 -1.536 1.576 61 HG3 MET 560 2HG MET 560 -10.418 -0.617 0.894 62 HE1 MET 560 1HE MET 560 -10.126 -3.715 3.287 63 HE2 MET 560 2HE MET 560 -10.165 -4.973 2.052 64 HE3 MET 560 3HE MET 560 -8.908 -3.736 2.011 65 H ALA 561 H ALA 561 -6.878 -0.585 1.675 66 HA ALA 561 HA ALA 561 -5.106 -2.834 2.026 67 HB1 ALA 561 1HB ALA 561 -5.316 -1.413 4.444 68 HB2 ALA 561 2HB ALA 561 -4.025 -1.328 3.244 69 HB3 ALA 561 3HB ALA 561 -5.393 -0.217 3.148 70 H VAL 562 H VAL 562 -5.727 -4.733 2.796 71 HA VAL 562 HA VAL 562 -8.269 -5.024 4.151 72 HB VAL 562 HB VAL 562 -7.719 -7.456 4.143 73 HG11 VAL 562 1HG1 VAL 562 -7.703 -5.868 1.598 74 HG12 VAL 562 2HG1 VAL 562 -7.713 -7.633 1.585 75 HG13 VAL 562 3HG1 VAL 562 -9.035 -6.748 2.346 76 HG21 VAL 562 1HG2 VAL 562 -5.156 -6.781 4.030 77 HG22 VAL 562 2HG2 VAL 562 -5.747 -8.312 3.383 78 HG23 VAL 562 3HG2 VAL 562 -5.446 -6.953 2.299 79 H LYS 563 H LYS 563 -5.097 -4.421 5.072 80 HA LYS 563 HA LYS 563 -5.741 -4.796 7.855 81 HB2 LYS 563 1HB LYS 563 -3.741 -6.213 8.314 82 HB3 LYS 563 2HB LYS 563 -4.993 -7.033 7.390 83 HG2 LYS 563 1HG LYS 563 -3.459 -6.040 5.394 84 HG3 LYS 563 2HG LYS 563 -2.246 -6.331 6.643 85 HD2 LYS 563 1HD LYS 563 -4.262 -8.372 5.712 86 HD3 LYS 563 2HD LYS 563 -2.603 -8.265 5.119 87 HE2 LYS 563 1HE LYS 563 -1.732 -8.721 7.310 88 HE3 LYS 563 2HE LYS 563 -3.344 -8.636 8.017 89 HZ1 LYS 563 1HZ LYS 563 -2.902 -10.900 7.792 90 HZ2 LYS 563 2HZ LYS 563 -2.226 -10.727 6.253 91 HZ3 LYS 563 3HZ LYS 563 -3.894 -10.553 6.467 92 H SER 564 H SER 564 -4.315 -3.700 9.258 93 HA SER 564 HA SER 564 -2.975 -1.475 8.029 94 HB2 SER 564 1HB SER 564 -2.620 -0.680 10.302 95 HB3 SER 564 2HB SER 564 -4.281 -1.249 10.131 96 HG SER 564 HG SER 564 -2.170 -2.319 11.597 97 H TYR 565 H TYR 565 -0.759 -0.838 8.632 98 HA TYR 565 HA TYR 565 1.023 -3.076 9.249 99 HB2 TYR 565 1HB TYR 565 0.899 -2.983 6.800 100 HB3 TYR 565 2HB TYR 565 1.342 -1.280 6.835 101 HD1 TYR 565 1HD TYR 565 2.595 -4.653 7.795 102 HD2 TYR 565 2HD TYR 565 3.586 -0.656 6.726 103 HE1 TYR 565 1HE TYR 565 4.973 -5.277 7.689 104 HE2 TYR 565 2HE TYR 565 5.966 -1.269 6.616 105 HH TYR 565 HH TYR 565 7.294 -3.430 6.222 106 H GLN 566 H GLN 566 2.976 -2.494 10.190 107 HA GLN 566 HA GLN 566 3.148 0.325 11.022 108 HB2 GLN 566 1HB GLN 566 2.838 -1.684 12.701 109 HB3 GLN 566 2HB GLN 566 4.572 -1.860 12.481 110 HG2 GLN 566 1HG GLN 566 4.798 0.556 13.114 111 HG3 GLN 566 2HG GLN 566 3.090 0.524 13.551 112 HE21 GLN 566 1HE2 GLN 566 3.836 -0.518 16.744 113 HE22 GLN 566 2HE2 GLN 566 2.905 0.460 15.666 114 H ALA 567 H ALA 567 4.608 1.374 9.843 115 HA ALA 567 HA ALA 567 6.621 0.319 8.288 116 HB1 ALA 567 1HB ALA 567 5.972 2.965 9.361 117 HB2 ALA 567 2HB ALA 567 7.677 2.736 8.971 118 HB3 ALA 567 3HB ALA 567 6.448 2.483 7.731 119 H GLN 568 H GLN 568 8.678 -0.350 8.591 120 HA GLN 568 HA GLN 568 9.761 -0.194 11.327 121 HB2 GLN 568 1HB GLN 568 10.313 -2.437 9.391 122 HB3 GLN 568 2HB GLN 568 10.680 -2.380 11.109 123 HG2 GLN 568 1HG GLN 568 8.085 -2.143 11.343 124 HG3 GLN 568 2HG GLN 568 8.086 -2.874 9.738 125 HE21 GLN 568 1HE2 GLN 568 8.788 -6.075 10.850 126 HE22 GLN 568 2HE2 GLN 568 8.475 -5.006 9.529 127 H ALA 569 H ALA 569 10.425 -0.114 7.886 128 HA ALA 569 HA ALA 569 13.251 0.367 8.265 129 HB1 ALA 569 1HB ALA 569 13.483 0.032 6.034 130 HB2 ALA 569 2HB ALA 569 11.928 -0.774 6.250 131 HB3 ALA 569 3HB ALA 569 11.987 0.878 5.638 132 H GLU 570 H GLU 570 13.802 2.280 6.366 133 HA GLU 570 HA GLU 570 12.992 4.689 7.779 134 HB2 GLU 570 1HB GLU 570 14.793 4.889 5.441 135 HB3 GLU 570 2HB GLU 570 14.913 5.646 7.023 136 HG2 GLU 570 1HG GLU 570 15.444 3.214 7.818 137 HG3 GLU 570 2HG GLU 570 15.863 2.972 6.124 138 H GLY 571 H GLY 571 12.785 3.280 4.545 139 HA2 GLY 571 1HA GLY 571 11.192 5.565 3.633 140 HA3 GLY 571 2HA GLY 571 11.853 4.295 2.615 141 H GLU 572 H GLU 572 10.413 3.079 5.420 142 HA GLU 572 HA GLU 572 8.144 2.122 3.849 143 HB2 GLU 572 1HB GLU 572 9.633 1.161 6.214 144 HB3 GLU 572 2HB GLU 572 7.901 0.855 6.235 145 HG2 GLU 572 1HG GLU 572 8.807 -1.054 5.273 146 HG3 GLU 572 2HG GLU 572 8.220 -0.117 3.899 147 H ILE 573 H ILE 573 5.993 2.275 4.576 148 HA ILE 573 HA ILE 573 5.524 4.328 6.638 149 HB ILE 573 HB ILE 573 3.478 4.969 5.319 150 HG12 ILE 573 1HG1 ILE 573 4.719 3.919 2.846 151 HG13 ILE 573 2HG1 ILE 573 3.947 2.724 3.881 152 HG21 ILE 573 1HG2 ILE 573 6.235 5.416 4.205 153 HG22 ILE 573 2HG2 ILE 573 4.812 6.265 3.602 154 HG23 ILE 573 3HG2 ILE 573 5.310 6.460 5.283 155 HD11 ILE 573 1HD1 ILE 573 2.759 4.541 2.047 156 HD12 ILE 573 2HD1 ILE 573 1.995 3.279 3.014 157 HD13 ILE 573 3HD1 ILE 573 2.175 4.905 3.672 158 H SER 574 H SER 574 3.159 4.279 7.382 159 HA SER 574 HA SER 574 2.559 1.528 8.130 160 HB2 SER 574 1HB SER 574 1.698 2.386 10.035 161 HB3 SER 574 2HB SER 574 2.510 3.875 9.551 162 HG SER 574 HG SER 574 0.510 4.405 8.435 163 H LEU 575 H LEU 575 0.065 1.136 8.405 164 HA LEU 575 HA LEU 575 -1.396 2.133 6.071 165 HB2 LEU 575 1HB LEU 575 -0.517 -0.629 6.577 166 HB3 LEU 575 2HB LEU 575 -2.204 -0.450 6.102 167 HG LEU 575 HG LEU 575 -1.159 0.988 4.157 168 HD11 LEU 575 1HD1 LEU 575 1.144 0.675 5.228 169 HD12 LEU 575 2HD1 LEU 575 1.001 0.406 3.491 170 HD13 LEU 575 3HD1 LEU 575 1.072 -0.968 4.593 171 HD21 LEU 575 1HD2 LEU 575 -2.134 -0.703 3.099 172 HD22 LEU 575 2HD2 LEU 575 -1.916 -1.762 4.491 173 HD23 LEU 575 3HD2 LEU 575 -0.640 -1.623 3.281 174 H SER 576 H SER 576 -3.742 1.300 6.162 175 HA SER 576 HA SER 576 -4.703 0.957 8.900 176 HB2 SER 576 1HB SER 576 -5.134 3.359 7.202 177 HB3 SER 576 2HB SER 576 -6.522 2.767 8.114 178 HG SER 576 HG SER 576 -4.062 3.751 9.054 179 H LYS 577 H LYS 577 -6.137 -0.630 8.929 180 HA LYS 577 HA LYS 577 -7.064 -2.000 6.712 181 HB2 LYS 577 1HB LYS 577 -7.134 -2.517 9.316 182 HB3 LYS 577 2HB LYS 577 -8.782 -1.923 9.149 183 HG2 LYS 577 1HG LYS 577 -7.827 -3.979 7.228 184 HG3 LYS 577 2HG LYS 577 -8.198 -4.475 8.880 185 HD2 LYS 577 1HD LYS 577 -10.370 -2.972 8.331 186 HD3 LYS 577 2HD LYS 577 -9.991 -3.577 6.716 187 HE2 LYS 577 1HE LYS 577 -10.574 -5.689 7.235 188 HE3 LYS 577 2HE LYS 577 -9.886 -5.589 8.856 189 HZ1 LYS 577 1HZ LYS 577 -12.284 -4.016 8.379 190 HZ2 LYS 577 2HZ LYS 577 -11.832 -4.917 9.736 191 HZ3 LYS 577 3HZ LYS 577 -12.492 -5.695 8.387 192 H GLY 578 H GLY 578 -8.531 -1.568 5.200 193 HA2 GLY 578 1HA GLY 578 -10.630 -0.896 4.387 194 HA3 GLY 578 2HA GLY 578 -10.889 0.015 5.867 195 H GLU 579 H GLU 579 -7.895 0.881 5.095 196 HA GLU 579 HA GLU 579 -8.761 3.380 3.939 197 HB2 GLU 579 1HB GLU 579 -6.860 2.876 5.718 198 HB3 GLU 579 2HB GLU 579 -5.874 2.708 4.271 199 HG2 GLU 579 1HG GLU 579 -5.781 4.963 5.240 200 HG3 GLU 579 2HG GLU 579 -6.397 4.951 3.589 201 H LYS 580 H LYS 580 -8.475 4.079 1.891 202 HA LYS 580 HA LYS 580 -7.833 2.128 -0.121 203 HB2 LYS 580 1HB LYS 580 -9.584 4.083 -0.171 204 HB3 LYS 580 2HB LYS 580 -8.214 5.036 -0.723 205 HG2 LYS 580 1HG LYS 580 -9.381 4.286 -2.645 206 HG3 LYS 580 2HG LYS 580 -7.887 3.353 -2.545 207 HD2 LYS 580 1HD LYS 580 -9.670 1.853 -3.103 208 HD3 LYS 580 2HD LYS 580 -9.184 1.531 -1.436 209 HE2 LYS 580 1HE LYS 580 -11.620 1.544 -1.683 210 HE3 LYS 580 2HE LYS 580 -11.067 2.835 -0.618 211 HZ1 LYS 580 1HZ LYS 580 -12.783 3.213 -2.605 212 HZ2 LYS 580 2HZ LYS 580 -11.338 3.527 -3.427 213 HZ3 LYS 580 3HZ LYS 580 -11.737 4.421 -2.047 214 H ILE 581 H ILE 581 -5.772 1.633 -0.503 215 HA ILE 581 HA ILE 581 -3.721 3.710 -0.298 216 HB ILE 581 HB ILE 581 -3.104 0.848 -0.915 217 HG12 ILE 581 1HG1 ILE 581 -4.650 0.680 0.941 218 HG13 ILE 581 2HG1 ILE 581 -3.016 0.402 1.533 219 HG21 ILE 581 1HG2 ILE 581 -1.156 2.057 -0.941 220 HG22 ILE 581 2HG2 ILE 581 -1.716 3.191 0.288 221 HG23 ILE 581 3HG2 ILE 581 -1.208 1.567 0.751 222 HD11 ILE 581 1HD1 ILE 581 -3.443 1.911 3.094 223 HD12 ILE 581 2HD1 ILE 581 -3.416 3.133 1.824 224 HD13 ILE 581 3HD1 ILE 581 -4.943 2.395 2.306 225 H LYS 582 H LYS 582 -2.600 4.475 -2.002 226 HA LYS 582 HA LYS 582 -3.268 3.379 -4.654 227 HB2 LYS 582 1HB LYS 582 -4.153 5.606 -4.426 228 HB3 LYS 582 2HB LYS 582 -2.614 6.209 -3.825 229 HG2 LYS 582 1HG LYS 582 -3.010 6.854 -6.148 230 HG3 LYS 582 2HG LYS 582 -1.585 5.825 -5.984 231 HD2 LYS 582 1HD LYS 582 -2.602 4.027 -7.008 232 HD3 LYS 582 2HD LYS 582 -4.227 4.573 -6.588 233 HE2 LYS 582 1HE LYS 582 -2.413 5.860 -8.627 234 HE3 LYS 582 2HE LYS 582 -3.763 4.788 -8.993 235 HZ1 LYS 582 1HZ LYS 582 -4.782 6.758 -7.355 236 HZ2 LYS 582 2HZ LYS 582 -5.043 6.580 -9.016 237 HZ3 LYS 582 3HZ LYS 582 -3.791 7.571 -8.458 238 H VAL 583 H VAL 583 -1.627 2.151 -5.323 239 HA VAL 583 HA VAL 583 1.064 2.492 -4.473 240 HB VAL 583 HB VAL 583 0.218 0.300 -5.137 241 HG11 VAL 583 1HG1 VAL 583 0.223 1.249 -7.988 242 HG12 VAL 583 2HG1 VAL 583 -0.403 -0.267 -7.338 243 HG13 VAL 583 3HG1 VAL 583 -1.232 1.250 -6.991 244 HG21 VAL 583 1HG2 VAL 583 2.606 1.525 -6.332 245 HG22 VAL 583 2HG2 VAL 583 2.447 0.073 -5.344 246 HG23 VAL 583 3HG2 VAL 583 2.094 0.007 -7.071 247 H LEU 584 H LEU 584 2.496 3.924 -5.172 248 HA LEU 584 HA LEU 584 2.044 5.242 -7.753 249 HB2 LEU 584 1HB LEU 584 3.920 6.049 -5.539 250 HB3 LEU 584 2HB LEU 584 3.482 6.999 -6.956 251 HG LEU 584 HG LEU 584 1.597 6.236 -4.726 252 HD11 LEU 584 1HD1 LEU 584 1.904 8.999 -4.832 253 HD12 LEU 584 2HD1 LEU 584 3.540 8.354 -4.962 254 HD13 LEU 584 3HD1 LEU 584 2.521 7.906 -3.593 255 HD21 LEU 584 1HD2 LEU 584 0.242 6.530 -6.578 256 HD22 LEU 584 2HD2 LEU 584 1.290 7.762 -7.280 257 HD23 LEU 584 3HD2 LEU 584 0.286 8.150 -5.881 258 H SER 585 H SER 585 4.234 3.170 -6.050 259 HA SER 585 HA SER 585 5.803 2.854 -8.492 260 HB2 SER 585 1HB SER 585 6.765 4.200 -6.134 261 HB3 SER 585 2HB SER 585 7.688 2.719 -6.395 262 HG SER 585 HG SER 585 8.713 3.868 -7.822 263 H ILE 586 H ILE 586 7.482 1.000 -8.081 264 HA ILE 586 HA ILE 586 6.317 -1.069 -6.359 265 HB ILE 586 HB ILE 586 6.751 -2.730 -8.235 266 HG12 ILE 586 1HG1 ILE 586 6.643 -0.212 -9.911 267 HG13 ILE 586 2HG1 ILE 586 8.091 -1.173 -9.634 268 HG21 ILE 586 1HG2 ILE 586 4.512 -1.816 -7.451 269 HG22 ILE 586 2HG2 ILE 586 4.568 -0.767 -8.868 270 HG23 ILE 586 3HG2 ILE 586 4.561 -2.520 -9.069 271 HD11 ILE 586 1HD1 ILE 586 6.682 -3.113 -10.613 272 HD12 ILE 586 2HD1 ILE 586 5.680 -1.815 -11.264 273 HD13 ILE 586 3HD1 ILE 586 7.387 -1.912 -11.694 274 H GLY 587 H GLY 587 7.776 -2.933 -6.044 275 HA2 GLY 587 1HA GLY 587 10.611 -2.241 -6.468 276 HA3 GLY 587 2HA GLY 587 10.038 -2.713 -4.875 277 H GLU 588 H GLU 588 9.679 -4.854 -4.415 278 HA GLU 588 HA GLU 588 9.432 -6.923 -6.280 279 HB2 GLU 588 1HB GLU 588 11.673 -6.504 -6.986 280 HB3 GLU 588 2HB GLU 588 12.244 -6.390 -5.327 281 HG2 GLU 588 1HG GLU 588 12.935 -8.482 -6.296 282 HG3 GLU 588 2HG GLU 588 11.765 -8.774 -5.010 283 H GLY 589 H GLY 589 9.026 -8.884 -5.296 284 HA2 GLY 589 1HA GLY 589 8.741 -10.406 -3.580 285 HA3 GLY 589 2HA GLY 589 9.763 -9.398 -2.568 286 H GLY 590 H GLY 590 6.553 -9.173 -4.121 287 HA2 GLY 590 1HA GLY 590 4.557 -8.358 -3.322 288 HA3 GLY 590 2HA GLY 590 5.027 -9.133 -1.816 289 H PHE 591 H PHE 591 6.955 -6.578 -3.175 290 HA PHE 591 HA PHE 591 5.905 -4.731 -1.135 291 HB2 PHE 591 1HB PHE 591 8.456 -5.870 -1.180 292 HB3 PHE 591 2HB PHE 591 8.686 -4.236 -1.796 293 HD1 PHE 591 1HD PHE 591 8.585 -2.364 -0.367 294 HD2 PHE 591 2HD PHE 591 7.418 -6.200 1.060 295 HE1 PHE 591 1HE PHE 591 8.530 -1.490 1.932 296 HE2 PHE 591 2HE PHE 591 7.362 -5.332 3.361 297 HZ PHE 591 HZ PHE 591 7.917 -2.972 3.799 298 H TRP 592 H TRP 592 5.623 -2.627 -1.730 299 HA TRP 592 HA TRP 592 6.736 -1.564 -4.156 300 HB2 TRP 592 1HB TRP 592 4.562 -1.115 -5.248 301 HB3 TRP 592 2HB TRP 592 4.896 -2.839 -5.113 302 HD1 TRP 592 HD TRP 592 3.881 -1.958 -1.779 303 HE1 TRP 592 1HE TRP 592 1.373 -2.381 -1.387 304 HE3 TRP 592 3HE TRP 592 2.370 -2.431 -6.640 305 HZ2 TRP 592 2HZ TRP 592 -0.942 -2.852 -2.934 306 HZ3 TRP 592 3HZ TRP 592 -0.009 -2.867 -7.098 307 HH2 TRP 592 HH TRP 592 -1.628 -3.074 -5.283 308 H GLU 593 H GLU 593 5.811 0.690 -4.582 309 HA GLU 593 HA GLU 593 5.590 2.041 -1.995 310 HB2 GLU 593 1HB GLU 593 6.949 2.615 -4.433 311 HB3 GLU 593 2HB GLU 593 5.777 3.894 -4.152 312 HG2 GLU 593 1HG GLU 593 7.076 3.373 -1.696 313 HG3 GLU 593 2HG GLU 593 8.314 3.504 -2.944 314 H GLY 594 H GLY 594 3.882 3.305 -1.419 315 HA2 GLY 594 1HA GLY 594 1.818 3.966 -3.350 316 HA3 GLY 594 2HA GLY 594 1.338 2.814 -2.112 317 H GLN 595 H GLN 595 -0.200 4.818 -1.959 318 HA GLN 595 HA GLN 595 0.868 6.512 0.196 319 HB2 GLN 595 1HB GLN 595 0.760 7.969 -1.676 320 HB3 GLN 595 2HB GLN 595 -0.809 7.343 -2.164 321 HG2 GLN 595 1HG GLN 595 -0.683 8.551 0.518 322 HG3 GLN 595 2HG GLN 595 -0.461 9.650 -0.841 323 HE21 GLN 595 1HE2 GLN 595 -3.761 9.332 -2.042 324 HE22 GLN 595 2HE2 GLN 595 -2.127 9.668 -2.489 325 H VAL 596 H VAL 596 -0.420 6.772 1.949 326 HA VAL 596 HA VAL 596 -3.175 5.757 1.808 327 HB VAL 596 HB VAL 596 -1.859 3.956 2.763 328 HG11 VAL 596 1HG1 VAL 596 -1.070 5.126 5.252 329 HG12 VAL 596 2HG1 VAL 596 -0.078 4.317 4.039 330 HG13 VAL 596 3HG1 VAL 596 -0.376 6.051 3.922 331 HG21 VAL 596 1HG2 VAL 596 -3.394 3.478 4.333 332 HG22 VAL 596 2HG2 VAL 596 -3.064 4.948 5.250 333 HG23 VAL 596 3HG2 VAL 596 -4.123 5.007 3.842 334 H LYS 597 H LYS 597 -4.478 7.367 2.355 335 HA LYS 597 HA LYS 597 -5.136 9.417 3.180 336 HB2 LYS 597 1HB LYS 597 -5.142 9.364 5.733 337 HB3 LYS 597 2HB LYS 597 -5.980 8.057 4.907 338 HG2 LYS 597 1HG LYS 597 -4.822 6.936 6.548 339 HG3 LYS 597 2HG LYS 597 -3.734 6.790 5.165 340 HD2 LYS 597 1HD LYS 597 -2.474 7.389 7.144 341 HD3 LYS 597 2HD LYS 597 -2.459 8.731 5.998 342 HE2 LYS 597 1HE LYS 597 -3.123 10.013 7.699 343 HE3 LYS 597 2HE LYS 597 -4.692 9.225 7.543 344 HZ1 LYS 597 1HZ LYS 597 -4.321 7.915 9.345 345 HZ2 LYS 597 2HZ LYS 597 -3.392 9.251 9.807 346 HZ3 LYS 597 3HZ LYS 597 -2.642 7.887 9.143 347 H GLY 598 H GLY 598 -2.442 9.511 2.256 348 HA2 GLY 598 1HA GLY 598 -1.212 11.623 2.375 349 HA3 GLY 598 2HA GLY 598 -1.361 11.527 4.123 350 H ARG 599 H ARG 599 -0.592 9.023 4.733 351 HA ARG 599 HA ARG 599 2.192 9.149 4.666 352 HB2 ARG 599 1HB ARG 599 0.175 7.139 5.478 353 HB3 ARG 599 2HB ARG 599 1.787 6.520 5.147 354 HG2 ARG 599 1HG ARG 599 2.381 8.645 6.707 355 HG3 ARG 599 2HG ARG 599 0.816 8.172 7.368 356 HD2 ARG 599 1HD ARG 599 1.574 6.040 7.950 357 HD3 ARG 599 2HD ARG 599 2.970 6.147 6.879 358 HE ARG 599 HE ARG 599 4.128 7.190 8.555 359 HH11 ARG 599 1HH1 ARG 599 0.959 7.906 10.894 360 HH12 ARG 599 2HH1 ARG 599 0.727 7.271 9.299 361 HH21 ARG 599 1HH2 ARG 599 3.073 8.336 11.664 362 HH22 ARG 599 2HH2 ARG 599 4.444 8.026 10.654 363 H VAL 600 H VAL 600 3.305 9.150 2.810 364 HA VAL 600 HA VAL 600 2.696 7.062 0.822 365 HB VAL 600 HB VAL 600 4.195 9.629 0.306 366 HG11 VAL 600 1HG1 VAL 600 4.646 7.772 -1.239 367 HG12 VAL 600 2HG1 VAL 600 2.920 7.654 -1.584 368 HG13 VAL 600 3HG1 VAL 600 3.813 9.109 -2.032 369 HG21 VAL 600 1HG2 VAL 600 2.251 10.706 0.362 370 HG22 VAL 600 2HG2 VAL 600 1.713 9.709 -0.990 371 HG23 VAL 600 3HG2 VAL 600 1.374 9.206 0.667 372 H GLY 601 H GLY 601 4.100 5.441 0.783 373 HA2 GLY 601 1HA GLY 601 6.909 5.848 0.619 374 HA3 GLY 601 2HA GLY 601 6.463 5.286 2.223 375 H TRP 602 H TRP 602 7.614 3.350 1.928 376 HA TRP 602 HA TRP 602 6.587 1.530 -0.131 377 HB2 TRP 602 1HB TRP 602 9.037 1.314 1.632 378 HB3 TRP 602 2HB TRP 602 8.561 0.139 0.410 379 HD1 TRP 602 HD TRP 602 9.096 3.997 0.350 380 HE1 TRP 602 1HE TRP 602 10.492 4.558 -1.738 381 HE3 TRP 602 3HE TRP 602 9.699 -0.724 -1.518 382 HZ2 TRP 602 2HZ TRP 602 11.690 3.183 -3.892 383 HZ3 TRP 602 3HZ TRP 602 10.983 -1.015 -3.597 384 HH2 TRP 602 HH TRP 602 11.957 0.900 -4.758 385 H PHE 603 H PHE 603 5.910 -0.584 0.398 386 HA PHE 603 HA PHE 603 5.774 -1.608 3.016 387 HB2 PHE 603 1HB PHE 603 3.427 -1.323 3.538 388 HB3 PHE 603 2HB PHE 603 4.154 0.261 3.290 389 HD1 PHE 603 1HD PHE 603 3.538 1.636 1.418 390 HD2 PHE 603 2HD PHE 603 1.856 -2.240 1.927 391 HE1 PHE 603 1HE PHE 603 1.815 2.169 -0.256 392 HE2 PHE 603 2HE PHE 603 0.131 -1.714 0.252 393 HZ PHE 603 HZ PHE 603 0.110 0.491 -0.841 394 HA PRO 604 HA PRO 604 4.796 -5.259 0.789 395 HB2 PRO 604 1HB PRO 604 3.444 -6.697 2.653 396 HB3 PRO 604 2HB PRO 604 5.188 -6.418 2.734 397 HG2 PRO 604 1HG PRO 604 2.977 -5.005 4.175 398 HG3 PRO 604 2HG PRO 604 4.545 -5.554 4.795 399 HD2 PRO 604 1HD PRO 604 4.068 -2.977 4.115 400 HD3 PRO 604 2HD PRO 604 5.664 -3.734 3.933 401 H SER 605 H SER 605 3.318 -5.714 -0.714 402 HA SER 605 HA SER 605 0.762 -4.457 -0.711 403 HB2 SER 605 1HB SER 605 0.710 -5.015 -2.904 404 HB3 SER 605 2HB SER 605 2.398 -5.466 -2.659 405 HG SER 605 HG SER 605 1.791 -7.396 -3.191 406 H ASP 606 H ASP 606 1.886 -7.210 0.802 407 HA ASP 606 HA ASP 606 -0.184 -9.057 0.508 408 HB2 ASP 606 1HB ASP 606 1.812 -9.761 1.599 409 HB3 ASP 606 2HB ASP 606 1.680 -8.491 2.812 410 H CYS 607 H CYS 607 -0.027 -6.098 2.316 411 HA CYS 607 HA CYS 607 -2.449 -6.712 3.812 412 HB2 CYS 607 1HB CYS 607 -0.926 -4.106 3.785 413 HB3 CYS 607 2HB CYS 607 -2.058 -4.677 5.004 414 HG CYS 607 HG CYS 607 0.383 -6.852 4.724 415 H LEU 608 H LEU 608 -1.934 -5.907 0.753 416 HA LEU 608 HA LEU 608 -4.200 -4.030 0.618 417 HB2 LEU 608 1HB LEU 608 -1.669 -4.228 -0.857 418 HB3 LEU 608 2HB LEU 608 -3.088 -3.933 -1.860 419 HG LEU 608 HG LEU 608 -1.762 -1.905 -1.094 420 HD11 LEU 608 1HD1 LEU 608 -3.646 -0.980 -1.814 421 HD12 LEU 608 2HD1 LEU 608 -4.240 -1.038 -0.155 422 HD13 LEU 608 3HD1 LEU 608 -4.601 -2.359 -1.268 423 HD21 LEU 608 1HD2 LEU 608 -3.276 -2.084 1.463 424 HD22 LEU 608 2HD2 LEU 608 -1.800 -1.198 1.083 425 HD23 LEU 608 3HD2 LEU 608 -1.742 -2.946 1.324 426 H GLU 609 H GLU 609 -5.627 -4.275 -1.264 427 HA GLU 609 HA GLU 609 -5.638 -6.819 -2.631 428 HB2 GLU 609 1HB GLU 609 -7.449 -6.236 -0.354 429 HB3 GLU 609 2HB GLU 609 -8.174 -6.992 -1.765 430 HG2 GLU 609 1HG GLU 609 -5.873 -8.047 -0.139 431 HG3 GLU 609 2HG GLU 609 -7.519 -8.677 -0.179 432 H GLU 610 H GLU 610 -6.752 -6.745 -4.530 433 HA GLU 610 HA GLU 610 -7.460 -4.201 -5.561 434 HB2 GLU 610 1HB GLU 610 -6.566 -6.132 -6.899 435 HB3 GLU 610 2HB GLU 610 -8.141 -6.897 -6.739 436 HG2 GLU 610 1HG GLU 610 -8.109 -5.866 -8.854 437 HG3 GLU 610 2HG GLU 610 -9.126 -4.858 -7.824 438 H VAL 611 H VAL 611 -9.391 -3.215 -5.800 439 HA VAL 611 HA VAL 611 -11.707 -4.520 -4.553 440 HB VAL 611 HB VAL 611 -12.680 -2.232 -4.449 441 HG11 VAL 611 1HG1 VAL 611 -9.967 -2.301 -3.152 442 HG12 VAL 611 2HG1 VAL 611 -11.446 -1.547 -2.552 443 HG13 VAL 611 3HG1 VAL 611 -11.312 -3.305 -2.610 444 HG21 VAL 611 1HG2 VAL 611 -10.185 -0.816 -4.805 445 HG22 VAL 611 2HG2 VAL 611 -10.685 -1.625 -6.289 446 HG23 VAL 611 3HG2 VAL 611 -11.775 -0.487 -5.498 447 H ALA 612 H ALA 612 -13.815 -4.243 -5.520 448 HA ALA 612 HA ALA 612 -13.665 -4.237 -8.453 449 HB1 ALA 612 1HB ALA 612 -15.547 -5.517 -6.503 450 HB2 ALA 612 2HB ALA 612 -15.997 -5.296 -8.196 451 HB3 ALA 612 3HB ALA 612 -14.584 -6.265 -7.777 452 H ASN 613 H ASN 613 -13.575 -1.830 -8.281 453 HA ASN 613 HA ASN 613 -15.940 -0.438 -7.434 454 HB2 ASN 613 1HB ASN 613 -14.820 1.558 -8.122 455 HB3 ASN 613 2HB ASN 613 -13.604 0.521 -7.382 456 HD21 ASN 613 1HD2 ASN 613 -12.913 1.966 -10.949 457 HD22 ASN 613 2HD2 ASN 613 -13.991 2.609 -9.763 Start of MODEL 8 1 H1 MET 553 H MET 553 7.935 0.070 -14.356 2 HA MET 553 HA MET 553 5.266 0.292 -15.095 3 HB2 MET 553 1HB MET 553 6.865 -1.790 -14.804 4 HB3 MET 553 2HB MET 553 6.091 -1.889 -13.228 5 HG2 MET 553 1HG MET 553 4.783 -3.278 -14.510 6 HG3 MET 553 2HG MET 553 3.887 -1.762 -14.563 7 HE1 MET 553 1HE MET 553 6.585 -3.821 -17.253 8 HE2 MET 553 2HE MET 553 5.481 -4.497 -16.056 9 HE3 MET 553 3HE MET 553 4.993 -4.399 -17.747 10 H VAL 554 H VAL 554 3.353 0.505 -14.009 11 HA VAL 554 HA VAL 554 3.007 0.300 -11.230 12 HB VAL 554 HB VAL 554 4.386 2.298 -11.084 13 HG11 VAL 554 1HG1 VAL 554 2.654 4.248 -12.240 14 HG12 VAL 554 2HG1 VAL 554 4.338 3.890 -12.630 15 HG13 VAL 554 3HG1 VAL 554 3.038 3.028 -13.454 16 HG21 VAL 554 1HG2 VAL 554 2.764 3.794 -9.935 17 HG22 VAL 554 2HG2 VAL 554 1.457 2.792 -10.564 18 HG23 VAL 554 3HG2 VAL 554 2.638 2.105 -9.449 19 HA PRO 555 HA PRO 555 -1.105 0.204 -12.860 20 HB2 PRO 555 1HB PRO 555 -2.413 -0.004 -10.490 21 HB3 PRO 555 2HB PRO 555 -1.540 -1.353 -11.227 22 HG2 PRO 555 1HG PRO 555 -0.668 0.501 -9.045 23 HG3 PRO 555 2HG PRO 555 -0.472 -1.257 -9.164 24 HD2 PRO 555 1HD PRO 555 1.530 0.475 -9.733 25 HD3 PRO 555 2HD PRO 555 1.352 -1.084 -10.563 26 H GLY 556 H GLY 556 -3.197 1.363 -12.554 27 HA2 GLY 556 1HA GLY 556 -2.695 4.150 -11.711 28 HA3 GLY 556 2HA GLY 556 -3.744 3.702 -13.048 29 H ARG 557 H ARG 557 -4.773 1.401 -11.374 30 HA ARG 557 HA ARG 557 -7.003 2.802 -10.271 31 HB2 ARG 557 1HB ARG 557 -7.803 0.567 -9.617 32 HB3 ARG 557 2HB ARG 557 -7.296 0.615 -11.300 33 HG2 ARG 557 1HG ARG 557 -5.006 -0.199 -10.190 34 HG3 ARG 557 2HG ARG 557 -6.146 -0.849 -9.010 35 HD2 ARG 557 1HD ARG 557 -6.071 -2.598 -10.476 36 HD3 ARG 557 2HD ARG 557 -7.392 -1.670 -11.186 37 HE ARG 557 HE ARG 557 -5.110 -0.741 -12.398 38 HH11 ARG 557 1HH1 ARG 557 -6.130 -4.426 -13.584 39 HH12 ARG 557 2HH1 ARG 557 -6.701 -3.820 -12.064 40 HH21 ARG 557 1HH2 ARG 557 -4.792 -3.123 -14.911 41 HH22 ARG 557 2HH2 ARG 557 -4.351 -1.528 -14.401 42 H SER 558 H SER 558 -7.772 1.888 -7.988 43 HA SER 558 HA SER 558 -5.537 2.331 -6.118 44 HB2 SER 558 1HB SER 558 -7.522 3.150 -4.596 45 HB3 SER 558 2HB SER 558 -6.823 4.234 -5.799 46 HG SER 558 HG SER 558 -9.247 2.791 -5.913 47 H PHE 559 H PHE 559 -5.162 0.792 -4.663 48 HA PHE 559 HA PHE 559 -7.071 -1.422 -4.468 49 HB2 PHE 559 1HB PHE 559 -4.134 -1.184 -3.835 50 HB3 PHE 559 2HB PHE 559 -5.092 -2.564 -3.311 51 HD1 PHE 559 1HD PHE 559 -4.526 -0.599 -6.436 52 HD2 PHE 559 2HD PHE 559 -5.004 -4.426 -4.636 53 HE1 PHE 559 1HE PHE 559 -4.174 -1.667 -8.624 54 HE2 PHE 559 2HE PHE 559 -4.651 -5.502 -6.820 55 HZ PHE 559 HZ PHE 559 -4.236 -4.122 -8.818 56 H MET 560 H MET 560 -7.831 -2.189 -2.501 57 HA MET 560 HA MET 560 -7.737 -0.236 -0.324 58 HB2 MET 560 1HB MET 560 -9.952 -0.928 -1.132 59 HB3 MET 560 2HB MET 560 -9.572 -2.603 -0.750 60 HG2 MET 560 1HG MET 560 -9.150 -1.587 1.649 61 HG3 MET 560 2HG MET 560 -10.253 -0.350 1.052 62 HE1 MET 560 1HE MET 560 -10.998 -4.761 1.780 63 HE2 MET 560 2HE MET 560 -9.477 -3.867 1.750 64 HE3 MET 560 3HE MET 560 -10.548 -3.740 3.147 65 H ALA 561 H ALA 561 -6.843 -0.650 1.616 66 HA ALA 561 HA ALA 561 -5.186 -2.985 1.889 67 HB1 ALA 561 1HB ALA 561 -4.001 -1.591 3.139 68 HB2 ALA 561 2HB ALA 561 -5.276 -0.377 3.014 69 HB3 ALA 561 3HB ALA 561 -5.301 -1.552 4.330 70 H VAL 562 H VAL 562 -5.726 -4.846 2.815 71 HA VAL 562 HA VAL 562 -8.289 -5.089 4.157 72 HB VAL 562 HB VAL 562 -7.740 -7.533 4.199 73 HG11 VAL 562 1HG1 VAL 562 -9.109 -7.004 2.430 74 HG12 VAL 562 2HG1 VAL 562 -7.920 -5.927 1.693 75 HG13 VAL 562 3HG1 VAL 562 -7.716 -7.676 1.584 76 HG21 VAL 562 1HG2 VAL 562 -5.214 -7.001 4.088 77 HG22 VAL 562 2HG2 VAL 562 -5.823 -8.408 3.218 78 HG23 VAL 562 3HG2 VAL 562 -5.471 -6.917 2.346 79 H LYS 563 H LYS 563 -5.174 -4.389 5.076 80 HA LYS 563 HA LYS 563 -5.782 -4.760 7.855 81 HB2 LYS 563 1HB LYS 563 -3.755 -6.153 8.320 82 HB3 LYS 563 2HB LYS 563 -5.029 -6.998 7.449 83 HG2 LYS 563 1HG LYS 563 -3.508 -6.018 5.408 84 HG3 LYS 563 2HG LYS 563 -2.294 -6.367 6.640 85 HD2 LYS 563 1HD LYS 563 -4.405 -8.331 5.757 86 HD3 LYS 563 2HD LYS 563 -2.778 -8.263 5.075 87 HE2 LYS 563 1HE LYS 563 -2.097 -8.392 7.628 88 HE3 LYS 563 2HE LYS 563 -3.683 -9.148 7.766 89 HZ1 LYS 563 1HZ LYS 563 -2.391 -10.956 7.336 90 HZ2 LYS 563 2HZ LYS 563 -1.283 -10.103 6.384 91 HZ3 LYS 563 3HZ LYS 563 -2.792 -10.531 5.750 92 H SER 564 H SER 564 -4.339 -3.648 9.238 93 HA SER 564 HA SER 564 -2.999 -1.446 7.954 94 HB2 SER 564 1HB SER 564 -3.119 -2.122 10.901 95 HB3 SER 564 2HB SER 564 -2.694 -0.564 10.191 96 HG SER 564 HG SER 564 -5.053 -1.288 10.927 97 H TYR 565 H TYR 565 -0.792 -0.782 8.655 98 HA TYR 565 HA TYR 565 0.975 -3.013 9.327 99 HB2 TYR 565 1HB TYR 565 0.921 -2.987 6.884 100 HB3 TYR 565 2HB TYR 565 1.322 -1.273 6.875 101 HD1 TYR 565 1HD TYR 565 3.543 -0.619 6.706 102 HD2 TYR 565 2HD TYR 565 2.647 -4.560 8.037 103 HE1 TYR 565 1HE TYR 565 5.939 -1.175 6.659 104 HE2 TYR 565 2HE TYR 565 5.040 -5.126 7.995 105 HH TYR 565 HH TYR 565 7.163 -4.025 6.519 106 H GLN 566 H GLN 566 2.920 -2.409 10.282 107 HA GLN 566 HA GLN 566 3.065 0.420 11.080 108 HB2 GLN 566 1HB GLN 566 2.711 -1.456 12.823 109 HB3 GLN 566 2HB GLN 566 4.407 -1.832 12.550 110 HG2 GLN 566 1HG GLN 566 4.539 -0.435 14.355 111 HG3 GLN 566 2HG GLN 566 4.762 0.699 13.025 112 HE21 GLN 566 1HE2 GLN 566 1.309 0.744 15.213 113 HE22 GLN 566 2HE2 GLN 566 2.300 -0.671 15.156 114 H ALA 567 H ALA 567 4.538 1.479 9.931 115 HA ALA 567 HA ALA 567 6.570 0.427 8.393 116 HB1 ALA 567 1HB ALA 567 5.655 2.821 8.476 117 HB2 ALA 567 2HB ALA 567 6.857 3.091 9.739 118 HB3 ALA 567 3HB ALA 567 7.370 2.604 8.124 119 H GLN 568 H GLN 568 8.578 -0.319 8.746 120 HA GLN 568 HA GLN 568 9.654 -0.104 11.481 121 HB2 GLN 568 1HB GLN 568 10.172 -2.372 9.559 122 HB3 GLN 568 2HB GLN 568 10.602 -2.293 11.263 123 HG2 GLN 568 1HG GLN 568 7.986 -2.011 11.529 124 HG3 GLN 568 2HG GLN 568 7.991 -2.861 9.985 125 HE21 GLN 568 1HE2 GLN 568 8.181 -4.986 13.245 126 HE22 GLN 568 2HE2 GLN 568 7.499 -3.410 13.057 127 H ALA 569 H ALA 569 10.303 0.054 8.058 128 HA ALA 569 HA ALA 569 13.147 0.466 8.430 129 HB1 ALA 569 1HB ALA 569 11.840 -0.639 6.410 130 HB2 ALA 569 2HB ALA 569 11.833 1.026 5.827 131 HB3 ALA 569 3HB ALA 569 13.362 0.220 6.175 132 H GLU 570 H GLU 570 13.789 2.409 6.648 133 HA GLU 570 HA GLU 570 12.949 4.799 8.076 134 HB2 GLU 570 1HB GLU 570 14.891 5.784 7.356 135 HB3 GLU 570 2HB GLU 570 15.377 4.096 7.318 136 HG2 GLU 570 1HG GLU 570 14.786 4.057 4.895 137 HG3 GLU 570 2HG GLU 570 14.529 5.798 4.991 138 H GLY 571 H GLY 571 12.640 3.326 4.917 139 HA2 GLY 571 1HA GLY 571 11.211 5.704 3.936 140 HA3 GLY 571 2HA GLY 571 11.872 4.426 2.927 141 H GLU 572 H GLU 572 10.430 3.013 5.558 142 HA GLU 572 HA GLU 572 8.160 2.184 3.955 143 HB2 GLU 572 1HB GLU 572 9.578 1.180 6.329 144 HB3 GLU 572 2HB GLU 572 7.837 0.943 6.367 145 HG2 GLU 572 1HG GLU 572 8.673 -1.006 5.408 146 HG3 GLU 572 2HG GLU 572 8.089 -0.060 4.040 147 H ILE 573 H ILE 573 5.979 2.291 4.675 148 HA ILE 573 HA ILE 573 5.464 4.395 6.672 149 HB ILE 573 HB ILE 573 3.458 5.027 5.321 150 HG12 ILE 573 1HG1 ILE 573 4.652 3.842 2.884 151 HG13 ILE 573 2HG1 ILE 573 3.864 2.710 3.979 152 HG21 ILE 573 1HG2 ILE 573 5.292 6.488 5.191 153 HG22 ILE 573 2HG2 ILE 573 6.222 5.367 4.200 154 HG23 ILE 573 3HG2 ILE 573 4.822 6.194 3.518 155 HD11 ILE 573 1HD1 ILE 573 2.687 4.395 2.054 156 HD12 ILE 573 2HD1 ILE 573 1.893 3.292 3.177 157 HD13 ILE 573 3HD1 ILE 573 2.174 4.970 3.639 158 H SER 574 H SER 574 3.100 4.345 7.397 159 HA SER 574 HA SER 574 2.497 1.604 8.177 160 HB2 SER 574 1HB SER 574 1.380 2.477 10.000 161 HB3 SER 574 2HB SER 574 2.550 3.763 9.705 162 HG SER 574 HG SER 574 0.089 4.178 9.913 163 H LEU 575 H LEU 575 0.034 1.160 8.413 164 HA LEU 575 HA LEU 575 -1.446 2.177 6.098 165 HB2 LEU 575 1HB LEU 575 -0.515 -0.577 6.549 166 HB3 LEU 575 2HB LEU 575 -2.207 -0.422 6.078 167 HG LEU 575 HG LEU 575 -1.187 1.076 4.163 168 HD11 LEU 575 1HD1 LEU 575 1.084 -0.832 4.665 169 HD12 LEU 575 2HD1 LEU 575 1.116 0.861 5.157 170 HD13 LEU 575 3HD1 LEU 575 0.980 0.440 3.449 171 HD21 LEU 575 1HD2 LEU 575 -2.021 -1.612 4.417 172 HD22 LEU 575 2HD2 LEU 575 -0.615 -1.598 3.353 173 HD23 LEU 575 3HD2 LEU 575 -2.019 -0.600 2.972 174 H SER 576 H SER 576 -3.777 1.300 6.173 175 HA SER 576 HA SER 576 -4.727 0.900 8.908 176 HB2 SER 576 1HB SER 576 -5.212 3.303 7.232 177 HB3 SER 576 2HB SER 576 -6.597 2.662 8.114 178 HG SER 576 HG SER 576 -5.305 4.244 9.273 179 H LYS 577 H LYS 577 -6.140 -0.707 8.940 180 HA LYS 577 HA LYS 577 -7.018 -2.107 6.721 181 HB2 LYS 577 1HB LYS 577 -7.062 -2.706 9.263 182 HB3 LYS 577 2HB LYS 577 -8.679 -2.015 9.217 183 HG2 LYS 577 1HG LYS 577 -7.904 -4.105 7.233 184 HG3 LYS 577 2HG LYS 577 -8.346 -4.566 8.878 185 HD2 LYS 577 1HD LYS 577 -10.362 -2.865 8.280 186 HD3 LYS 577 2HD LYS 577 -10.017 -3.533 6.684 187 HE2 LYS 577 1HE LYS 577 -11.589 -5.016 7.510 188 HE3 LYS 577 2HE LYS 577 -10.070 -5.819 7.903 189 HZ1 LYS 577 1HZ LYS 577 -11.165 -4.012 9.911 190 HZ2 LYS 577 2HZ LYS 577 -10.352 -5.482 10.108 191 HZ3 LYS 577 3HZ LYS 577 -11.987 -5.472 9.673 192 H GLY 578 H GLY 578 -8.474 -1.702 5.193 193 HA2 GLY 578 1HA GLY 578 -10.578 -1.079 4.355 194 HA3 GLY 578 2HA GLY 578 -10.880 -0.185 5.837 195 H GLU 579 H GLU 579 -7.893 0.754 5.087 196 HA GLU 579 HA GLU 579 -8.813 3.243 3.947 197 HB2 GLU 579 1HB GLU 579 -6.916 2.776 5.738 198 HB3 GLU 579 2HB GLU 579 -5.913 2.632 4.301 199 HG2 GLU 579 1HG GLU 579 -5.876 4.886 5.276 200 HG3 GLU 579 2HG GLU 579 -6.477 4.866 3.618 201 H LYS 580 H LYS 580 -8.590 3.924 1.897 202 HA LYS 580 HA LYS 580 -7.860 2.016 -0.117 203 HB2 LYS 580 1HB LYS 580 -9.674 3.909 -0.170 204 HB3 LYS 580 2HB LYS 580 -8.333 4.916 -0.702 205 HG2 LYS 580 1HG LYS 580 -9.437 4.154 -2.648 206 HG3 LYS 580 2HG LYS 580 -7.932 3.240 -2.528 207 HD2 LYS 580 1HD LYS 580 -9.725 1.744 -3.132 208 HD3 LYS 580 2HD LYS 580 -9.194 1.380 -1.488 209 HE2 LYS 580 1HE LYS 580 -11.141 2.096 -0.559 210 HE3 LYS 580 2HE LYS 580 -11.401 3.332 -1.789 211 HZ1 LYS 580 1HZ LYS 580 -11.733 0.426 -2.284 212 HZ2 LYS 580 2HZ LYS 580 -12.176 1.697 -3.308 213 HZ3 LYS 580 3HZ LYS 580 -13.005 1.455 -1.853 214 H ILE 581 H ILE 581 -5.761 1.575 -0.388 215 HA ILE 581 HA ILE 581 -3.774 3.696 -0.171 216 HB ILE 581 HB ILE 581 -3.073 0.886 -0.906 217 HG12 ILE 581 1HG1 ILE 581 -4.655 0.590 0.911 218 HG13 ILE 581 2HG1 ILE 581 -3.024 0.302 1.507 219 HG21 ILE 581 1HG2 ILE 581 -1.189 1.501 0.733 220 HG22 ILE 581 2HG2 ILE 581 -1.206 2.272 -0.852 221 HG23 ILE 581 3HG2 ILE 581 -1.781 3.153 0.564 222 HD11 ILE 581 1HD1 ILE 581 -4.557 2.867 1.860 223 HD12 ILE 581 2HD1 ILE 581 -4.410 1.593 3.071 224 HD13 ILE 581 3HD1 ILE 581 -2.979 2.477 2.540 225 H LYS 582 H LYS 582 -2.977 4.739 -1.867 226 HA LYS 582 HA LYS 582 -3.557 3.708 -4.551 227 HB2 LYS 582 1HB LYS 582 -4.384 5.932 -4.205 228 HB3 LYS 582 2HB LYS 582 -2.840 6.467 -3.555 229 HG2 LYS 582 1HG LYS 582 -3.246 7.253 -5.850 230 HG3 LYS 582 2HG LYS 582 -1.799 6.252 -5.713 231 HD2 LYS 582 1HD LYS 582 -2.800 4.444 -6.790 232 HD3 LYS 582 2HD LYS 582 -4.432 5.040 -6.477 233 HE2 LYS 582 1HE LYS 582 -2.425 6.279 -8.361 234 HE3 LYS 582 2HE LYS 582 -3.809 5.292 -8.832 235 HZ1 LYS 582 1HZ LYS 582 -4.630 7.401 -9.083 236 HZ2 LYS 582 2HZ LYS 582 -3.758 8.033 -7.778 237 HZ3 LYS 582 3HZ LYS 582 -5.121 7.070 -7.499 238 H VAL 583 H VAL 583 -1.935 2.359 -5.118 239 HA VAL 583 HA VAL 583 0.748 2.563 -4.363 240 HB VAL 583 HB VAL 583 -0.514 1.233 -6.758 241 HG11 VAL 583 1HG1 VAL 583 2.341 1.124 -5.799 242 HG12 VAL 583 2HG1 VAL 583 1.635 -0.011 -6.953 243 HG13 VAL 583 3HG1 VAL 583 1.759 1.700 -7.361 244 HG21 VAL 583 1HG2 VAL 583 -1.024 -0.390 -5.335 245 HG22 VAL 583 2HG2 VAL 583 0.675 -0.553 -4.886 246 HG23 VAL 583 3HG2 VAL 583 -0.366 0.571 -4.011 247 H LEU 584 H LEU 584 2.522 3.527 -5.240 248 HA LEU 584 HA LEU 584 2.081 5.266 -7.577 249 HB2 LEU 584 1HB LEU 584 3.760 5.832 -5.139 250 HB3 LEU 584 2HB LEU 584 3.674 6.853 -6.573 251 HG LEU 584 HG LEU 584 1.411 6.287 -4.659 252 HD11 LEU 584 1HD1 LEU 584 1.902 8.193 -3.587 253 HD12 LEU 584 2HD1 LEU 584 2.364 9.028 -5.069 254 HD13 LEU 584 3HD1 LEU 584 3.513 7.961 -4.264 255 HD21 LEU 584 1HD2 LEU 584 1.518 7.453 -7.352 256 HD22 LEU 584 2HD2 LEU 584 0.649 8.416 -6.156 257 HD23 LEU 584 3HD2 LEU 584 0.163 6.749 -6.469 258 H SER 585 H SER 585 4.307 3.229 -5.782 259 HA SER 585 HA SER 585 5.893 2.908 -8.228 260 HB2 SER 585 1HB SER 585 6.791 4.179 -5.797 261 HB3 SER 585 2HB SER 585 7.731 2.717 -6.103 262 HG SER 585 HG SER 585 7.991 5.063 -7.266 263 H ILE 586 H ILE 586 7.432 1.001 -7.992 264 HA ILE 586 HA ILE 586 6.533 -1.050 -6.136 265 HB ILE 586 HB ILE 586 6.090 -2.706 -7.851 266 HG12 ILE 586 1HG1 ILE 586 6.505 -0.454 -9.828 267 HG13 ILE 586 2HG1 ILE 586 7.596 -1.815 -9.585 268 HG21 ILE 586 1HG2 ILE 586 4.298 -1.124 -7.003 269 HG22 ILE 586 2HG2 ILE 586 4.458 -0.281 -8.544 270 HG23 ILE 586 3HG2 ILE 586 3.953 -1.971 -8.510 271 HD11 ILE 586 1HD1 ILE 586 4.998 -1.686 -10.986 272 HD12 ILE 586 2HD1 ILE 586 6.461 -2.591 -11.377 273 HD13 ILE 586 3HD1 ILE 586 5.374 -3.172 -10.113 274 H GLY 587 H GLY 587 7.864 -3.075 -6.373 275 HA2 GLY 587 1HA GLY 587 10.499 -2.583 -7.570 276 HA3 GLY 587 2HA GLY 587 10.415 -2.930 -5.850 277 H GLU 588 H GLU 588 10.358 -5.002 -5.191 278 HA GLU 588 HA GLU 588 9.807 -7.077 -7.198 279 HB2 GLU 588 1HB GLU 588 11.687 -8.395 -6.427 280 HB3 GLU 588 2HB GLU 588 12.253 -6.810 -6.939 281 HG2 GLU 588 1HG GLU 588 12.311 -6.099 -4.586 282 HG3 GLU 588 2HG GLU 588 11.817 -7.721 -4.104 283 H GLY 589 H GLY 589 9.508 -9.267 -6.135 284 HA2 GLY 589 1HA GLY 589 8.195 -10.557 -4.759 285 HA3 GLY 589 2HA GLY 589 8.970 -9.669 -3.455 286 H GLY 590 H GLY 590 7.115 -9.658 -2.173 287 HA2 GLY 590 1HA GLY 590 4.712 -8.390 -3.247 288 HA3 GLY 590 2HA GLY 590 4.862 -9.179 -1.683 289 H PHE 591 H PHE 591 7.044 -6.725 -2.953 290 HA PHE 591 HA PHE 591 6.024 -4.855 -0.917 291 HB2 PHE 591 1HB PHE 591 8.581 -6.061 -1.019 292 HB3 PHE 591 2HB PHE 591 8.801 -4.374 -1.473 293 HD1 PHE 591 1HD PHE 591 7.774 -6.665 1.188 294 HD2 PHE 591 2HD PHE 591 8.406 -2.598 0.102 295 HE1 PHE 591 1HE PHE 591 7.679 -6.021 3.560 296 HE2 PHE 591 2HE PHE 591 8.313 -1.946 2.473 297 HZ PHE 591 HZ PHE 591 7.950 -3.659 4.205 298 H TRP 592 H TRP 592 5.745 -2.772 -1.528 299 HA TRP 592 HA TRP 592 6.970 -1.689 -3.891 300 HB2 TRP 592 1HB TRP 592 4.859 -1.236 -5.089 301 HB3 TRP 592 2HB TRP 592 5.178 -2.963 -4.941 302 HD1 TRP 592 HD TRP 592 3.998 -2.086 -1.660 303 HE1 TRP 592 1HE TRP 592 1.471 -2.496 -1.400 304 HE3 TRP 592 3HE TRP 592 2.735 -2.537 -6.595 305 HZ2 TRP 592 2HZ TRP 592 -0.763 -2.951 -3.065 306 HZ3 TRP 592 3HZ TRP 592 0.382 -2.960 -7.175 307 HH2 TRP 592 HH TRP 592 -1.330 -3.164 -5.445 308 H GLU 593 H GLU 593 6.049 0.567 -4.345 309 HA GLU 593 HA GLU 593 5.692 1.893 -1.759 310 HB2 GLU 593 1HB GLU 593 7.157 2.503 -4.146 311 HB3 GLU 593 2HB GLU 593 6.009 3.796 -3.833 312 HG2 GLU 593 1HG GLU 593 7.426 2.952 -1.442 313 HG3 GLU 593 2HG GLU 593 8.503 3.526 -2.712 314 H GLY 594 H GLY 594 4.037 3.355 -1.356 315 HA2 GLY 594 1HA GLY 594 2.055 3.928 -3.383 316 HA3 GLY 594 2HA GLY 594 1.501 2.826 -2.132 317 H GLN 595 H GLN 595 -0.043 4.774 -2.025 318 HA GLN 595 HA GLN 595 0.973 6.572 0.068 319 HB2 GLN 595 1HB GLN 595 0.895 7.965 -1.850 320 HB3 GLN 595 2HB GLN 595 -0.648 7.297 -2.365 321 HG2 GLN 595 1HG GLN 595 -1.841 8.482 -0.763 322 HG3 GLN 595 2HG GLN 595 -0.409 8.775 0.223 323 HE21 GLN 595 1HE2 GLN 595 -0.719 12.011 -1.128 324 HE22 GLN 595 2HE2 GLN 595 -1.111 10.995 0.214 325 H VAL 596 H VAL 596 -0.330 6.841 1.797 326 HA VAL 596 HA VAL 596 -3.087 5.834 1.634 327 HB VAL 596 HB VAL 596 -1.776 4.057 2.650 328 HG11 VAL 596 1HG1 VAL 596 -0.332 6.180 3.796 329 HG12 VAL 596 2HG1 VAL 596 -1.059 5.287 5.134 330 HG13 VAL 596 3HG1 VAL 596 -0.035 4.450 3.968 331 HG21 VAL 596 1HG2 VAL 596 -4.076 5.106 3.643 332 HG22 VAL 596 2HG2 VAL 596 -3.345 3.599 4.195 333 HG23 VAL 596 3HG2 VAL 596 -3.055 5.097 5.080 334 H LYS 597 H LYS 597 -4.387 7.470 2.109 335 HA LYS 597 HA LYS 597 -5.050 9.541 2.874 336 HB2 LYS 597 1HB LYS 597 -5.121 9.538 5.428 337 HB3 LYS 597 2HB LYS 597 -5.948 8.222 4.606 338 HG2 LYS 597 1HG LYS 597 -4.841 7.124 6.297 339 HG3 LYS 597 2HG LYS 597 -3.720 6.943 4.946 340 HD2 LYS 597 1HD LYS 597 -2.507 7.571 6.947 341 HD3 LYS 597 2HD LYS 597 -2.451 8.889 5.773 342 HE2 LYS 597 1HE LYS 597 -3.156 10.216 7.419 343 HE3 LYS 597 2HE LYS 597 -4.722 9.422 7.256 344 HZ1 LYS 597 1HZ LYS 597 -2.711 9.142 9.325 345 HZ2 LYS 597 2HZ LYS 597 -3.435 7.697 8.828 346 HZ3 LYS 597 3HZ LYS 597 -4.391 8.963 9.414 347 H GLY 598 H GLY 598 -2.332 9.596 2.018 348 HA2 GLY 598 1HA GLY 598 -1.090 11.706 2.132 349 HA3 GLY 598 2HA GLY 598 -1.279 11.637 3.877 350 H ARG 599 H ARG 599 -0.537 9.148 4.551 351 HA ARG 599 HA ARG 599 2.248 9.249 4.533 352 HB2 ARG 599 1HB ARG 599 0.199 7.283 5.359 353 HB3 ARG 599 2HB ARG 599 1.805 6.631 5.055 354 HG2 ARG 599 1HG ARG 599 2.409 8.785 6.580 355 HG3 ARG 599 2HG ARG 599 0.836 8.330 7.239 356 HD2 ARG 599 1HD ARG 599 1.582 6.205 7.860 357 HD3 ARG 599 2HD ARG 599 2.983 6.286 6.796 358 HE ARG 599 HE ARG 599 4.139 7.321 8.471 359 HH11 ARG 599 1HH1 ARG 599 0.959 8.229 10.727 360 HH12 ARG 599 2HH1 ARG 599 0.733 7.543 9.152 361 HH21 ARG 599 1HH2 ARG 599 3.074 8.616 11.516 362 HH22 ARG 599 2HH2 ARG 599 4.450 8.223 10.543 363 H VAL 600 H VAL 600 3.402 9.197 2.703 364 HA VAL 600 HA VAL 600 2.816 7.067 0.753 365 HB VAL 600 HB VAL 600 4.309 9.632 0.200 366 HG11 VAL 600 1HG1 VAL 600 3.185 7.485 -1.594 367 HG12 VAL 600 2HG1 VAL 600 3.842 9.021 -2.161 368 HG13 VAL 600 3HG1 VAL 600 4.886 7.867 -1.329 369 HG21 VAL 600 1HG2 VAL 600 1.835 9.605 -1.146 370 HG22 VAL 600 2HG2 VAL 600 1.498 9.211 0.540 371 HG23 VAL 600 3HG2 VAL 600 2.359 10.696 0.138 372 H GLY 601 H GLY 601 4.231 5.455 0.739 373 HA2 GLY 601 1HA GLY 601 7.039 5.862 0.617 374 HA3 GLY 601 2HA GLY 601 6.572 5.338 2.229 375 H TRP 602 H TRP 602 7.666 3.379 2.059 376 HA TRP 602 HA TRP 602 6.713 1.516 0.000 377 HB2 TRP 602 1HB TRP 602 9.092 1.313 1.860 378 HB3 TRP 602 2HB TRP 602 8.659 0.132 0.627 379 HD1 TRP 602 HD TRP 602 9.344 3.966 0.640 380 HE1 TRP 602 1HE TRP 602 10.785 4.510 -1.422 381 HE3 TRP 602 3HE TRP 602 9.706 -0.726 -1.356 382 HZ2 TRP 602 2HZ TRP 602 11.925 3.131 -3.606 383 HZ3 TRP 602 3HZ TRP 602 10.990 -1.028 -3.433 384 HH2 TRP 602 HH TRP 602 12.075 0.862 -4.534 385 H PHE 603 H PHE 603 6.026 -0.592 0.563 386 HA PHE 603 HA PHE 603 5.781 -1.540 3.198 387 HB2 PHE 603 1HB PHE 603 3.419 -1.231 3.628 388 HB3 PHE 603 2HB PHE 603 4.163 0.344 3.360 389 HD1 PHE 603 1HD PHE 603 3.576 1.690 1.476 390 HD2 PHE 603 2HD PHE 603 1.945 -2.214 1.945 391 HE1 PHE 603 1HE PHE 603 1.916 2.178 -0.272 392 HE2 PHE 603 2HE PHE 603 0.281 -1.732 0.196 393 HZ PHE 603 HZ PHE 603 0.265 0.465 -0.915 394 HA PRO 604 HA PRO 604 4.870 -5.245 1.032 395 HB2 PRO 604 1HB PRO 604 3.454 -6.630 2.888 396 HB3 PRO 604 2HB PRO 604 5.194 -6.355 3.018 397 HG2 PRO 604 1HG PRO 604 2.940 -4.901 4.348 398 HG3 PRO 604 2HG PRO 604 4.486 -5.437 5.034 399 HD2 PRO 604 1HD PRO 604 4.040 -2.877 4.273 400 HD3 PRO 604 2HD PRO 604 5.639 -3.641 4.163 401 H SER 605 H SER 605 3.447 -5.700 -0.520 402 HA SER 605 HA SER 605 0.888 -4.453 -0.614 403 HB2 SER 605 1HB SER 605 0.872 -5.074 -2.801 404 HB3 SER 605 2HB SER 605 2.576 -5.421 -2.508 405 HG SER 605 HG SER 605 2.174 -7.515 -2.541 406 H ASP 606 H ASP 606 1.975 -7.199 0.948 407 HA ASP 606 HA ASP 606 -0.084 -9.050 0.606 408 HB2 ASP 606 1HB ASP 606 2.037 -9.524 1.791 409 HB3 ASP 606 2HB ASP 606 1.502 -8.510 3.126 410 H CYS 607 H CYS 607 0.016 -6.080 2.399 411 HA CYS 607 HA CYS 607 -2.451 -6.689 3.823 412 HB2 CYS 607 1HB CYS 607 -0.939 -4.078 3.848 413 HB3 CYS 607 2HB CYS 607 -2.089 -4.673 5.040 414 HG CYS 607 HG CYS 607 0.707 -6.510 4.553 415 H LEU 608 H LEU 608 -1.810 -5.852 0.783 416 HA LEU 608 HA LEU 608 -4.038 -3.941 0.573 417 HB2 LEU 608 1HB LEU 608 -1.493 -4.255 -0.843 418 HB3 LEU 608 2HB LEU 608 -2.878 -3.985 -1.900 419 HG LEU 608 HG LEU 608 -1.528 -1.946 -1.173 420 HD11 LEU 608 1HD1 LEU 608 -4.357 -2.353 -1.482 421 HD12 LEU 608 2HD1 LEU 608 -3.349 -1.010 -2.023 422 HD13 LEU 608 3HD1 LEU 608 -4.037 -0.998 -0.398 423 HD21 LEU 608 1HD2 LEU 608 -1.648 -1.141 0.964 424 HD22 LEU 608 2HD2 LEU 608 -1.659 -2.873 1.291 425 HD23 LEU 608 3HD2 LEU 608 -3.171 -1.963 1.309 426 H GLU 609 H GLU 609 -5.568 -4.222 -1.146 427 HA GLU 609 HA GLU 609 -5.622 -6.719 -2.593 428 HB2 GLU 609 1HB GLU 609 -7.300 -6.249 -0.187 429 HB3 GLU 609 2HB GLU 609 -8.090 -6.982 -1.576 430 HG2 GLU 609 1HG GLU 609 -5.677 -8.025 -0.114 431 HG3 GLU 609 2HG GLU 609 -7.306 -8.700 -0.095 432 H GLU 610 H GLU 610 -6.600 -6.440 -4.499 433 HA GLU 610 HA GLU 610 -7.407 -3.988 -5.456 434 HB2 GLU 610 1HB GLU 610 -8.656 -5.374 -7.225 435 HB3 GLU 610 2HB GLU 610 -6.919 -5.600 -7.078 436 HG2 GLU 610 1HG GLU 610 -8.143 -7.712 -7.351 437 HG3 GLU 610 2HG GLU 610 -7.235 -7.637 -5.843 438 H VAL 611 H VAL 611 -9.627 -3.454 -6.343 439 HA VAL 611 HA VAL 611 -11.747 -4.267 -4.469 440 HB VAL 611 HB VAL 611 -12.612 -1.898 -4.610 441 HG11 VAL 611 1HG1 VAL 611 -10.824 -3.068 -2.878 442 HG12 VAL 611 2HG1 VAL 611 -10.051 -1.531 -3.272 443 HG13 VAL 611 3HG1 VAL 611 -11.684 -1.554 -2.607 444 HG21 VAL 611 1HG2 VAL 611 -9.808 -1.207 -5.450 445 HG22 VAL 611 2HG2 VAL 611 -11.137 -1.353 -6.602 446 HG23 VAL 611 3HG2 VAL 611 -11.209 -0.140 -5.324 447 H ALA 612 H ALA 612 -13.949 -3.713 -5.285 448 HA ALA 612 HA ALA 612 -14.055 -3.906 -8.226 449 HB1 ALA 612 1HB ALA 612 -15.582 -5.394 -6.128 450 HB2 ALA 612 2HB ALA 612 -16.271 -5.150 -7.733 451 HB3 ALA 612 3HB ALA 612 -14.743 -6.012 -7.550 452 H ASN 613 H ASN 613 -15.916 -2.950 -5.345 453 HA ASN 613 HA ASN 613 -16.993 -0.697 -6.888 454 HB2 ASN 613 1HB ASN 613 -19.214 -1.033 -5.977 455 HB3 ASN 613 2HB ASN 613 -18.697 -2.508 -6.790 456 HD21 ASN 613 1HD2 ASN 613 -19.449 -2.456 -2.811 457 HD22 ASN 613 2HD2 ASN 613 -19.440 -1.011 -3.761 Start of MODEL 9 1 H1 MET 553 H MET 553 5.678 1.916 -16.583 2 HA MET 553 HA MET 553 5.091 -0.765 -16.352 3 HB2 MET 553 1HB MET 553 6.745 1.135 -14.758 4 HB3 MET 553 2HB MET 553 6.443 -0.461 -14.085 5 HG2 MET 553 1HG MET 553 7.455 -1.522 -15.971 6 HG3 MET 553 2HG MET 553 7.590 0.014 -16.821 7 HE1 MET 553 1HE MET 553 9.328 1.848 -16.327 8 HE2 MET 553 2HE MET 553 8.635 2.060 -14.720 9 HE3 MET 553 3HE MET 553 10.379 1.877 -14.911 10 H VAL 554 H VAL 554 4.508 1.701 -13.836 11 HA VAL 554 HA VAL 554 3.149 0.132 -12.021 12 HB VAL 554 HB VAL 554 1.924 2.291 -11.397 13 HG11 VAL 554 1HG1 VAL 554 3.814 1.710 -10.131 14 HG12 VAL 554 2HG1 VAL 554 4.917 2.033 -11.470 15 HG13 VAL 554 3HG1 VAL 554 4.111 3.370 -10.647 16 HG21 VAL 554 1HG2 VAL 554 3.850 3.849 -12.965 17 HG22 VAL 554 2HG2 VAL 554 2.589 3.070 -13.920 18 HG23 VAL 554 3HG2 VAL 554 2.152 4.167 -12.611 19 HA PRO 555 HA PRO 555 -0.769 -0.879 -13.723 20 HB2 PRO 555 1HB PRO 555 -2.355 -0.778 -11.523 21 HB3 PRO 555 2HB PRO 555 -1.173 -2.063 -11.795 22 HG2 PRO 555 1HG PRO 555 -0.949 0.387 -10.090 23 HG3 PRO 555 2HG PRO 555 -0.447 -1.276 -9.730 24 HD2 PRO 555 1HD PRO 555 1.300 0.634 -10.525 25 HD3 PRO 555 2HD PRO 555 1.506 -1.081 -10.939 26 H GLY 556 H GLY 556 -0.966 1.849 -11.427 27 HA2 GLY 556 1HA GLY 556 -1.779 3.997 -11.874 28 HA3 GLY 556 2HA GLY 556 -2.363 3.425 -13.431 29 H ARG 557 H ARG 557 -3.191 1.451 -10.776 30 HA ARG 557 HA ARG 557 -5.918 2.566 -10.808 31 HB2 ARG 557 1HB ARG 557 -6.764 0.362 -10.376 32 HB3 ARG 557 2HB ARG 557 -5.655 0.261 -11.738 33 HG2 ARG 557 1HG ARG 557 -3.935 -0.299 -9.789 34 HG3 ARG 557 2HG ARG 557 -5.418 -0.853 -9.010 35 HD2 ARG 557 1HD ARG 557 -4.391 -1.725 -11.708 36 HD3 ARG 557 2HD ARG 557 -4.331 -2.669 -10.220 37 HE ARG 557 HE ARG 557 -6.980 -2.055 -10.573 38 HH11 ARG 557 1HH1 ARG 557 -5.640 -4.738 -13.226 39 HH12 ARG 557 2HH1 ARG 557 -4.523 -3.681 -12.428 40 HH21 ARG 557 1HH2 ARG 557 -7.879 -4.600 -12.765 41 HH22 ARG 557 2HH2 ARG 557 -8.461 -3.441 -11.618 42 H SER 558 H SER 558 -7.129 1.688 -8.707 43 HA SER 558 HA SER 558 -5.473 2.567 -6.437 44 HB2 SER 558 1HB SER 558 -8.491 2.584 -6.691 45 HB3 SER 558 2HB SER 558 -7.553 3.247 -5.354 46 HG SER 558 HG SER 558 -8.233 4.427 -7.638 47 H PHE 559 H PHE 559 -5.417 1.400 -4.545 48 HA PHE 559 HA PHE 559 -6.714 -1.244 -4.612 49 HB2 PHE 559 1HB PHE 559 -3.917 -0.482 -3.821 50 HB3 PHE 559 2HB PHE 559 -4.668 -1.941 -3.182 51 HD1 PHE 559 1HD PHE 559 -4.763 -3.905 -4.452 52 HD2 PHE 559 2HD PHE 559 -3.681 -0.234 -6.314 53 HE1 PHE 559 1HE PHE 559 -4.113 -5.131 -6.483 54 HE2 PHE 559 2HE PHE 559 -3.030 -1.453 -8.349 55 HZ PHE 559 HZ PHE 559 -3.246 -3.906 -8.435 56 H MET 560 H MET 560 -6.937 -2.240 -2.418 57 HA MET 560 HA MET 560 -7.468 -0.173 -0.386 58 HB2 MET 560 1HB MET 560 -9.557 -1.042 -1.345 59 HB3 MET 560 2HB MET 560 -9.070 -2.680 -0.929 60 HG2 MET 560 1HG MET 560 -8.899 -1.618 1.488 61 HG3 MET 560 2HG MET 560 -10.073 -0.497 0.803 62 HE1 MET 560 1HE MET 560 -10.224 -3.720 3.024 63 HE2 MET 560 2HE MET 560 -10.491 -4.906 1.747 64 HE3 MET 560 3HE MET 560 -9.043 -3.897 1.726 65 H ALA 561 H ALA 561 -6.771 -0.552 1.656 66 HA ALA 561 HA ALA 561 -4.930 -2.745 2.041 67 HB1 ALA 561 1HB ALA 561 -3.942 -1.167 3.253 68 HB2 ALA 561 2HB ALA 561 -5.388 -0.157 3.229 69 HB3 ALA 561 3HB ALA 561 -5.202 -1.399 4.466 70 H VAL 562 H VAL 562 -5.531 -4.671 2.762 71 HA VAL 562 HA VAL 562 -8.107 -5.048 4.025 72 HB VAL 562 HB VAL 562 -7.596 -7.437 3.945 73 HG11 VAL 562 1HG1 VAL 562 -8.576 -6.506 1.973 74 HG12 VAL 562 2HG1 VAL 562 -7.010 -5.919 1.407 75 HG13 VAL 562 3HG1 VAL 562 -7.333 -7.651 1.470 76 HG21 VAL 562 1HG2 VAL 562 -5.321 -7.741 2.465 77 HG22 VAL 562 2HG2 VAL 562 -4.874 -6.431 3.558 78 HG23 VAL 562 3HG2 VAL 562 -5.434 -7.971 4.210 79 H LYS 563 H LYS 563 -5.047 -4.273 5.092 80 HA LYS 563 HA LYS 563 -5.760 -4.673 7.835 81 HB2 LYS 563 1HB LYS 563 -3.550 -6.016 8.217 82 HB3 LYS 563 2HB LYS 563 -5.017 -6.859 7.735 83 HG2 LYS 563 1HG LYS 563 -4.214 -7.376 5.679 84 HG3 LYS 563 2HG LYS 563 -3.224 -5.915 5.575 85 HD2 LYS 563 1HD LYS 563 -1.786 -7.845 5.752 86 HD3 LYS 563 2HD LYS 563 -1.674 -6.896 7.236 87 HE2 LYS 563 1HE LYS 563 -1.805 -9.274 7.738 88 HE3 LYS 563 2HE LYS 563 -3.236 -8.430 8.330 89 HZ1 LYS 563 1HZ LYS 563 -4.556 -9.609 6.999 90 HZ2 LYS 563 2HZ LYS 563 -3.246 -10.660 6.791 91 HZ3 LYS 563 3HZ LYS 563 -3.538 -9.438 5.658 92 H SER 564 H SER 564 -4.445 -3.511 9.257 93 HA SER 564 HA SER 564 -3.047 -1.318 8.081 94 HB2 SER 564 1HB SER 564 -3.139 -2.121 10.997 95 HB3 SER 564 2HB SER 564 -2.734 -0.531 10.350 96 HG SER 564 HG SER 564 -5.140 -1.524 10.943 97 H TYR 565 H TYR 565 -0.841 -0.671 8.949 98 HA TYR 565 HA TYR 565 0.943 -2.896 9.508 99 HB2 TYR 565 1HB TYR 565 0.815 -2.843 7.044 100 HB3 TYR 565 2HB TYR 565 1.317 -1.156 7.061 101 HD1 TYR 565 1HD TYR 565 3.603 -0.566 7.211 102 HD2 TYR 565 2HD TYR 565 2.420 -4.603 7.840 103 HE1 TYR 565 1HE TYR 565 5.961 -1.261 7.140 104 HE2 TYR 565 2HE TYR 565 4.774 -5.310 7.773 105 HH TYR 565 HH TYR 565 6.942 -4.394 6.737 106 H GLN 566 H GLN 566 2.898 -2.279 10.434 107 HA GLN 566 HA GLN 566 3.049 0.559 11.199 108 HB2 GLN 566 1HB GLN 566 2.684 -1.236 12.990 109 HB3 GLN 566 2HB GLN 566 4.346 -1.716 12.685 110 HG2 GLN 566 1HG GLN 566 5.160 0.422 13.375 111 HG3 GLN 566 2HG GLN 566 3.523 1.064 13.484 112 HE21 GLN 566 1HE2 GLN 566 3.080 0.085 16.755 113 HE22 GLN 566 2HE2 GLN 566 2.580 1.029 15.398 114 H ALA 567 H ALA 567 4.504 1.584 9.992 115 HA ALA 567 HA ALA 567 6.531 0.504 8.475 116 HB1 ALA 567 1HB ALA 567 5.651 2.872 8.433 117 HB2 ALA 567 2HB ALA 567 6.738 3.205 9.783 118 HB3 ALA 567 3HB ALA 567 7.393 2.690 8.228 119 H GLN 568 H GLN 568 8.505 -0.295 8.849 120 HA GLN 568 HA GLN 568 9.622 0.012 11.560 121 HB2 GLN 568 1HB GLN 568 10.104 -2.337 9.730 122 HB3 GLN 568 2HB GLN 568 10.510 -2.201 11.436 123 HG2 GLN 568 1HG GLN 568 7.903 -1.876 11.669 124 HG3 GLN 568 2HG GLN 568 7.898 -2.752 10.140 125 HE21 GLN 568 1HE2 GLN 568 9.020 -4.609 13.598 126 HE22 GLN 568 2HE2 GLN 568 9.004 -2.885 13.479 127 H ALA 569 H ALA 569 10.224 0.046 8.128 128 HA ALA 569 HA ALA 569 13.083 0.401 8.444 129 HB1 ALA 569 1HB ALA 569 11.671 0.882 5.862 130 HB2 ALA 569 2HB ALA 569 13.255 0.164 6.165 131 HB3 ALA 569 3HB ALA 569 11.789 -0.762 6.490 132 H GLU 570 H GLU 570 13.734 2.280 6.591 133 HA GLU 570 HA GLU 570 12.974 4.728 7.966 134 HB2 GLU 570 1HB GLU 570 14.928 5.644 7.193 135 HB3 GLU 570 2HB GLU 570 15.375 3.943 7.187 136 HG2 GLU 570 1HG GLU 570 14.775 3.848 4.783 137 HG3 GLU 570 2HG GLU 570 14.495 5.589 4.828 138 H GLY 571 H GLY 571 12.569 3.168 4.863 139 HA2 GLY 571 1HA GLY 571 11.177 5.552 3.837 140 HA3 GLY 571 2HA GLY 571 11.800 4.237 2.852 141 H GLU 572 H GLU 572 10.392 2.876 5.511 142 HA GLU 572 HA GLU 572 8.082 2.060 3.969 143 HB2 GLU 572 1HB GLU 572 9.521 1.090 6.339 144 HB3 GLU 572 2HB GLU 572 7.776 0.900 6.432 145 HG2 GLU 572 1HG GLU 572 8.449 -1.091 5.492 146 HG3 GLU 572 2HG GLU 572 7.996 -0.138 4.080 147 H ILE 573 H ILE 573 5.911 2.227 4.701 148 HA ILE 573 HA ILE 573 5.449 4.371 6.667 149 HB ILE 573 HB ILE 573 3.446 5.019 5.294 150 HG12 ILE 573 1HG1 ILE 573 4.667 3.889 2.858 151 HG13 ILE 573 2HG1 ILE 573 3.919 2.708 3.930 152 HG21 ILE 573 1HG2 ILE 573 4.820 6.240 3.571 153 HG22 ILE 573 2HG2 ILE 573 5.338 6.445 5.244 154 HG23 ILE 573 3HG2 ILE 573 6.219 5.351 4.177 155 HD11 ILE 573 1HD1 ILE 573 2.188 4.965 3.593 156 HD12 ILE 573 2HD1 ILE 573 2.672 4.321 2.025 157 HD13 ILE 573 3HD1 ILE 573 1.907 3.267 3.212 158 H SER 574 H SER 574 3.204 4.365 7.544 159 HA SER 574 HA SER 574 2.506 1.673 8.333 160 HB2 SER 574 1HB SER 574 1.352 2.627 10.089 161 HB3 SER 574 2HB SER 574 2.523 3.903 9.758 162 HG SER 574 HG SER 574 0.363 4.687 9.943 163 H LEU 575 H LEU 575 -0.005 1.319 8.573 164 HA LEU 575 HA LEU 575 -1.442 2.226 6.198 165 HB2 LEU 575 1HB LEU 575 -0.535 -0.540 6.735 166 HB3 LEU 575 2HB LEU 575 -2.172 -0.346 6.116 167 HG LEU 575 HG LEU 575 -0.861 1.160 4.332 168 HD11 LEU 575 1HD1 LEU 575 1.249 0.152 3.740 169 HD12 LEU 575 2HD1 LEU 575 1.116 -0.992 5.074 170 HD13 LEU 575 3HD1 LEU 575 1.318 0.729 5.406 171 HD21 LEU 575 1HD2 LEU 575 -2.044 -1.399 4.422 172 HD22 LEU 575 2HD2 LEU 575 -0.555 -1.550 3.489 173 HD23 LEU 575 3HD2 LEU 575 -1.777 -0.370 3.014 174 H SER 576 H SER 576 -3.757 1.300 6.252 175 HA SER 576 HA SER 576 -4.739 0.877 8.968 176 HB2 SER 576 1HB SER 576 -5.253 3.298 7.306 177 HB3 SER 576 2HB SER 576 -6.599 2.648 8.245 178 HG SER 576 HG SER 576 -4.315 3.938 9.085 179 H LYS 577 H LYS 577 -6.159 -0.725 8.956 180 HA LYS 577 HA LYS 577 -7.009 -2.080 6.694 181 HB2 LYS 577 1HB LYS 577 -7.080 -2.718 9.235 182 HB3 LYS 577 2HB LYS 577 -8.707 -2.058 9.162 183 HG2 LYS 577 1HG LYS 577 -7.836 -4.107 7.173 184 HG3 LYS 577 2HG LYS 577 -8.330 -4.593 8.796 185 HD2 LYS 577 1HD LYS 577 -10.419 -3.137 8.340 186 HD3 LYS 577 2HD LYS 577 -9.943 -3.267 6.645 187 HE2 LYS 577 1HE LYS 577 -10.190 -5.703 8.375 188 HE3 LYS 577 2HE LYS 577 -11.608 -4.989 7.609 189 HZ1 LYS 577 1HZ LYS 577 -9.332 -6.367 6.390 190 HZ2 LYS 577 2HZ LYS 577 -10.065 -5.122 5.509 191 HZ3 LYS 577 3HZ LYS 577 -10.977 -6.456 6.010 192 H GLY 578 H GLY 578 -8.486 -1.684 5.181 193 HA2 GLY 578 1HA GLY 578 -10.573 -1.032 4.334 194 HA3 GLY 578 2HA GLY 578 -10.889 -0.173 5.835 195 H GLU 579 H GLU 579 -7.874 0.744 5.045 196 HA GLU 579 HA GLU 579 -8.808 3.269 3.967 197 HB2 GLU 579 1HB GLU 579 -6.935 2.780 5.785 198 HB3 GLU 579 2HB GLU 579 -5.910 2.691 4.360 199 HG2 GLU 579 1HG GLU 579 -5.924 4.919 5.390 200 HG3 GLU 579 2HG GLU 579 -6.507 4.933 3.727 201 H LYS 580 H LYS 580 -8.650 3.909 1.912 202 HA LYS 580 HA LYS 580 -7.863 2.063 -0.110 203 HB2 LYS 580 1HB LYS 580 -9.649 3.942 -0.202 204 HB3 LYS 580 2HB LYS 580 -8.297 4.996 -0.592 205 HG2 LYS 580 1HG LYS 580 -9.300 4.328 -2.635 206 HG3 LYS 580 2HG LYS 580 -7.763 3.474 -2.499 207 HD2 LYS 580 1HD LYS 580 -9.426 1.928 -3.281 208 HD3 LYS 580 2HD LYS 580 -9.010 1.505 -1.619 209 HE2 LYS 580 1HE LYS 580 -11.425 1.402 -2.004 210 HE3 LYS 580 2HE LYS 580 -11.008 2.632 -0.813 211 HZ1 LYS 580 1HZ LYS 580 -11.524 3.199 -3.680 212 HZ2 LYS 580 2HZ LYS 580 -11.293 4.332 -2.446 213 HZ3 LYS 580 3HZ LYS 580 -12.681 3.364 -2.456 214 H ILE 581 H ILE 581 -5.813 1.607 -0.550 215 HA ILE 581 HA ILE 581 -3.782 3.702 -0.256 216 HB ILE 581 HB ILE 581 -3.069 0.865 -0.847 217 HG12 ILE 581 1HG1 ILE 581 -4.732 0.647 0.917 218 HG13 ILE 581 2HG1 ILE 581 -3.126 0.352 1.575 219 HG21 ILE 581 1HG2 ILE 581 -1.232 1.512 0.800 220 HG22 ILE 581 2HG2 ILE 581 -1.225 2.309 -0.772 221 HG23 ILE 581 3HG2 ILE 581 -1.838 3.160 0.645 222 HD11 ILE 581 1HD1 ILE 581 -3.080 2.503 2.601 223 HD12 ILE 581 2HD1 ILE 581 -4.574 2.976 1.791 224 HD13 ILE 581 3HD1 ILE 581 -4.601 1.719 3.027 225 H LYS 582 H LYS 582 -3.015 4.688 -1.996 226 HA LYS 582 HA LYS 582 -3.490 3.487 -4.629 227 HB2 LYS 582 1HB LYS 582 -4.403 5.710 -4.386 228 HB3 LYS 582 2HB LYS 582 -2.860 6.326 -3.806 229 HG2 LYS 582 1HG LYS 582 -3.298 6.957 -6.129 230 HG3 LYS 582 2HG LYS 582 -1.857 5.946 -5.977 231 HD2 LYS 582 1HD LYS 582 -2.829 4.166 -7.035 232 HD3 LYS 582 2HD LYS 582 -4.456 4.602 -6.508 233 HE2 LYS 582 1HE LYS 582 -2.847 6.039 -8.617 234 HE3 LYS 582 2HE LYS 582 -4.155 4.896 -8.928 235 HZ1 LYS 582 1HZ LYS 582 -4.305 7.614 -7.796 236 HZ2 LYS 582 2HZ LYS 582 -5.526 6.488 -7.473 237 HZ3 LYS 582 3HZ LYS 582 -5.192 6.939 -9.069 238 H VAL 583 H VAL 583 -1.821 2.227 -5.196 239 HA VAL 583 HA VAL 583 0.865 2.677 -4.380 240 HB VAL 583 HB VAL 583 1.468 0.845 -5.821 241 HG11 VAL 583 1HG1 VAL 583 -0.708 0.707 -3.931 242 HG12 VAL 583 2HG1 VAL 583 -0.833 -0.573 -5.139 243 HG13 VAL 583 3HG1 VAL 583 0.638 -0.406 -4.179 244 HG21 VAL 583 1HG2 VAL 583 0.290 1.384 -7.826 245 HG22 VAL 583 2HG2 VAL 583 -0.260 -0.206 -7.297 246 HG23 VAL 583 3HG2 VAL 583 -1.271 1.213 -7.022 247 H LEU 584 H LEU 584 2.460 3.807 -5.312 248 HA LEU 584 HA LEU 584 1.941 4.983 -7.964 249 HB2 LEU 584 1HB LEU 584 3.655 6.179 -5.798 250 HB3 LEU 584 2HB LEU 584 3.143 6.937 -7.306 251 HG LEU 584 HG LEU 584 1.255 6.177 -5.081 252 HD11 LEU 584 1HD1 LEU 584 2.892 7.871 -4.346 253 HD12 LEU 584 2HD1 LEU 584 1.248 8.503 -4.444 254 HD13 LEU 584 3HD1 LEU 584 2.416 8.887 -5.707 255 HD21 LEU 584 1HD2 LEU 584 0.992 7.463 -7.741 256 HD22 LEU 584 2HD2 LEU 584 0.005 8.097 -6.424 257 HD23 LEU 584 3HD2 LEU 584 -0.118 6.397 -6.880 258 H SER 585 H SER 585 4.021 3.073 -6.052 259 HA SER 585 HA SER 585 5.854 2.798 -8.305 260 HB2 SER 585 1HB SER 585 6.533 4.074 -5.770 261 HB3 SER 585 2HB SER 585 7.585 2.707 -6.138 262 HG SER 585 HG SER 585 7.029 4.882 -7.876 263 H ILE 586 H ILE 586 7.426 0.944 -7.875 264 HA ILE 586 HA ILE 586 6.420 -1.078 -6.043 265 HB ILE 586 HB ILE 586 6.220 -2.800 -7.769 266 HG12 ILE 586 1HG1 ILE 586 6.586 -0.528 -9.733 267 HG13 ILE 586 2HG1 ILE 586 7.768 -1.792 -9.412 268 HG21 ILE 586 1HG2 ILE 586 4.503 -0.378 -8.297 269 HG22 ILE 586 2HG2 ILE 586 4.121 -2.030 -8.779 270 HG23 ILE 586 3HG2 ILE 586 4.219 -1.611 -7.069 271 HD11 ILE 586 1HD1 ILE 586 5.197 -1.930 -10.894 272 HD12 ILE 586 2HD1 ILE 586 6.780 -2.586 -11.308 273 HD13 ILE 586 3HD1 ILE 586 5.794 -3.373 -10.077 274 H GLY 587 H GLY 587 7.787 -3.217 -6.530 275 HA2 GLY 587 1HA GLY 587 10.510 -2.623 -7.356 276 HA3 GLY 587 2HA GLY 587 10.299 -2.955 -5.644 277 H GLU 588 H GLU 588 10.636 -4.986 -5.060 278 HA GLU 588 HA GLU 588 10.178 -7.104 -7.059 279 HB2 GLU 588 1HB GLU 588 11.968 -8.373 -5.788 280 HB3 GLU 588 2HB GLU 588 12.521 -6.994 -6.729 281 HG2 GLU 588 1HG GLU 588 11.849 -6.573 -3.867 282 HG3 GLU 588 2HG GLU 588 13.348 -7.408 -4.271 283 H GLY 589 H GLY 589 9.764 -9.276 -6.081 284 HA2 GLY 589 1HA GLY 589 8.353 -10.602 -4.845 285 HA3 GLY 589 2HA GLY 589 9.019 -9.746 -3.462 286 H GLY 590 H GLY 590 7.074 -9.754 -2.327 287 HA2 GLY 590 1HA GLY 590 4.748 -8.491 -3.555 288 HA3 GLY 590 2HA GLY 590 4.796 -9.282 -1.987 289 H PHE 591 H PHE 591 6.921 -6.734 -3.221 290 HA PHE 591 HA PHE 591 5.846 -4.945 -1.142 291 HB2 PHE 591 1HB PHE 591 8.440 -6.023 -1.275 292 HB3 PHE 591 2HB PHE 591 8.596 -4.344 -1.776 293 HD1 PHE 591 1HD PHE 591 7.571 -6.580 0.954 294 HD2 PHE 591 2HD PHE 591 8.298 -2.557 -0.231 295 HE1 PHE 591 1HE PHE 591 7.501 -5.877 3.310 296 HE2 PHE 591 2HE PHE 591 8.230 -1.847 2.124 297 HZ PHE 591 HZ PHE 591 7.832 -3.508 3.898 298 H TRP 592 H TRP 592 5.666 -2.776 -1.649 299 HA TRP 592 HA TRP 592 6.692 -1.680 -4.084 300 HB2 TRP 592 1HB TRP 592 4.481 -1.197 -5.110 301 HB3 TRP 592 2HB TRP 592 4.851 -2.919 -5.057 302 HD1 TRP 592 HD TRP 592 3.886 -2.172 -1.668 303 HE1 TRP 592 1HE TRP 592 1.397 -2.671 -1.243 304 HE3 TRP 592 3HE TRP 592 2.293 -2.540 -6.512 305 HZ2 TRP 592 2HZ TRP 592 -0.933 -3.157 -2.760 306 HZ3 TRP 592 3HZ TRP 592 -0.080 -3.024 -6.940 307 HH2 TRP 592 HH TRP 592 -1.659 -3.328 -5.101 308 H GLU 593 H GLU 593 5.753 0.582 -4.446 309 HA GLU 593 HA GLU 593 5.482 1.855 -1.816 310 HB2 GLU 593 1HB GLU 593 6.999 2.473 -4.161 311 HB3 GLU 593 2HB GLU 593 5.877 3.790 -3.856 312 HG2 GLU 593 1HG GLU 593 7.213 2.889 -1.443 313 HG3 GLU 593 2HG GLU 593 8.340 3.437 -2.683 314 H GLY 594 H GLY 594 3.875 3.365 -1.389 315 HA2 GLY 594 1HA GLY 594 1.935 4.069 -3.409 316 HA3 GLY 594 2HA GLY 594 1.329 2.933 -2.212 317 H GLN 595 H GLN 595 -0.170 4.885 -2.001 318 HA GLN 595 HA GLN 595 0.892 6.599 0.139 319 HB2 GLN 595 1HB GLN 595 0.800 8.059 -1.723 320 HB3 GLN 595 2HB GLN 595 -0.752 7.419 -2.247 321 HG2 GLN 595 1HG GLN 595 -0.630 8.680 0.429 322 HG3 GLN 595 2HG GLN 595 -0.514 9.734 -0.979 323 HE21 GLN 595 1HE2 GLN 595 -3.833 9.200 -2.045 324 HE22 GLN 595 2HE2 GLN 595 -2.234 9.594 -2.566 325 H VAL 596 H VAL 596 -0.379 6.804 1.899 326 HA VAL 596 HA VAL 596 -3.144 5.812 1.740 327 HB VAL 596 HB VAL 596 -1.822 4.022 2.714 328 HG11 VAL 596 1HG1 VAL 596 -0.051 4.408 3.994 329 HG12 VAL 596 2HG1 VAL 596 -0.374 6.139 3.890 330 HG13 VAL 596 3HG1 VAL 596 -1.063 5.189 5.207 331 HG21 VAL 596 1HG2 VAL 596 -3.365 3.540 4.276 332 HG22 VAL 596 2HG2 VAL 596 -3.063 5.024 5.180 333 HG23 VAL 596 3HG2 VAL 596 -4.107 5.054 3.758 334 H LYS 597 H LYS 597 -4.441 7.439 2.250 335 HA LYS 597 HA LYS 597 -5.104 9.493 3.058 336 HB2 LYS 597 1HB LYS 597 -5.157 9.447 5.611 337 HB3 LYS 597 2HB LYS 597 -5.983 8.139 4.774 338 HG2 LYS 597 1HG LYS 597 -4.857 7.022 6.441 339 HG3 LYS 597 2HG LYS 597 -3.747 6.866 5.078 340 HD2 LYS 597 1HD LYS 597 -2.519 7.470 7.076 341 HD3 LYS 597 2HD LYS 597 -2.480 8.806 5.925 342 HE2 LYS 597 1HE LYS 597 -3.177 10.102 7.598 343 HE3 LYS 597 2HE LYS 597 -4.741 9.304 7.433 344 HZ1 LYS 597 1HZ LYS 597 -4.032 7.672 9.076 345 HZ2 LYS 597 2HZ LYS 597 -3.970 9.237 9.713 346 HZ3 LYS 597 3HZ LYS 597 -2.544 8.458 9.245 347 H GLY 598 H GLY 598 -2.383 9.558 2.189 348 HA2 GLY 598 1HA GLY 598 -1.153 11.677 2.329 349 HA3 GLY 598 2HA GLY 598 -1.321 11.569 4.076 350 H ARG 599 H ARG 599 -0.559 9.079 4.697 351 HA ARG 599 HA ARG 599 2.227 9.189 4.629 352 HB2 ARG 599 1HB ARG 599 0.202 7.192 5.459 353 HB3 ARG 599 2HB ARG 599 1.820 6.575 5.150 354 HG2 ARG 599 1HG ARG 599 2.419 8.699 6.684 355 HG3 ARG 599 2HG ARG 599 0.827 8.289 7.327 356 HD2 ARG 599 1HD ARG 599 1.513 6.147 7.968 357 HD3 ARG 599 2HD ARG 599 2.938 6.195 6.931 358 HE ARG 599 HE ARG 599 2.721 7.183 9.607 359 HH11 ARG 599 1HH1 ARG 599 5.767 8.316 7.272 360 HH12 ARG 599 2HH1 ARG 599 4.359 7.598 6.564 361 HH21 ARG 599 1HH2 ARG 599 5.888 8.616 9.539 362 HH22 ARG 599 2HH2 ARG 599 4.570 8.128 10.550 363 H VAL 600 H VAL 600 3.341 9.158 2.774 364 HA VAL 600 HA VAL 600 2.717 7.045 0.815 365 HB VAL 600 HB VAL 600 4.224 9.597 0.250 366 HG11 VAL 600 1HG1 VAL 600 2.847 7.725 -1.665 367 HG12 VAL 600 2HG1 VAL 600 3.958 9.044 -2.045 368 HG13 VAL 600 3HG1 VAL 600 4.552 7.593 -1.237 369 HG21 VAL 600 1HG2 VAL 600 1.747 9.714 -1.024 370 HG22 VAL 600 2HG2 VAL 600 1.391 9.181 0.620 371 HG23 VAL 600 3HG2 VAL 600 2.282 10.681 0.351 372 H GLY 601 H GLY 601 4.128 5.431 0.758 373 HA2 GLY 601 1HA GLY 601 6.932 5.829 0.586 374 HA3 GLY 601 2HA GLY 601 6.497 5.297 2.203 375 H TRP 602 H TRP 602 7.614 3.345 1.965 376 HA TRP 602 HA TRP 602 6.608 1.496 -0.077 377 HB2 TRP 602 1HB TRP 602 9.004 1.240 1.754 378 HB3 TRP 602 2HB TRP 602 8.558 0.109 0.478 379 HD1 TRP 602 HD TRP 602 9.217 3.947 0.609 380 HE1 TRP 602 1HE TRP 602 10.669 4.559 -1.427 381 HE3 TRP 602 3HE TRP 602 9.653 -0.689 -1.502 382 HZ2 TRP 602 2HZ TRP 602 11.842 3.250 -3.635 383 HZ3 TRP 602 3HZ TRP 602 10.957 -0.923 -3.575 384 HH2 TRP 602 HH TRP 602 12.027 1.007 -4.620 385 H PHE 603 H PHE 603 5.975 -0.645 0.494 386 HA PHE 603 HA PHE 603 5.741 -1.579 3.134 387 HB2 PHE 603 1HB PHE 603 3.330 -1.338 3.498 388 HB3 PHE 603 2HB PHE 603 4.102 0.238 3.359 389 HD1 PHE 603 1HD PHE 603 1.856 -2.166 1.758 390 HD2 PHE 603 2HD PHE 603 3.655 1.682 1.486 391 HE1 PHE 603 1HE PHE 603 0.266 -1.551 -0.016 392 HE2 PHE 603 2HE PHE 603 2.067 2.303 -0.287 393 HZ PHE 603 HZ PHE 603 0.368 0.687 -1.040 394 HA PRO 604 HA PRO 604 4.883 -5.311 0.991 395 HB2 PRO 604 1HB PRO 604 3.476 -6.702 2.850 396 HB3 PRO 604 2HB PRO 604 5.212 -6.403 2.987 397 HG2 PRO 604 1HG PRO 604 2.935 -4.970 4.296 398 HG3 PRO 604 2HG PRO 604 4.483 -5.480 4.993 399 HD2 PRO 604 1HD PRO 604 4.009 -2.931 4.211 400 HD3 PRO 604 2HD PRO 604 5.617 -3.676 4.116 401 H SER 605 H SER 605 3.474 -5.777 -0.570 402 HA SER 605 HA SER 605 0.924 -4.554 -0.726 403 HB2 SER 605 1HB SER 605 0.921 -5.278 -2.879 404 HB3 SER 605 2HB SER 605 2.613 -5.650 -2.552 405 HG SER 605 HG SER 605 0.557 -7.328 -3.075 406 H ASP 606 H ASP 606 1.988 -7.290 0.913 407 HA ASP 606 HA ASP 606 -0.128 -9.086 0.671 408 HB2 ASP 606 1HB ASP 606 2.027 -9.547 1.836 409 HB3 ASP 606 2HB ASP 606 1.483 -8.534 3.171 410 H CYS 607 H CYS 607 0.128 -6.106 2.461 411 HA CYS 607 HA CYS 607 -2.338 -6.596 3.919 412 HB2 CYS 607 1HB CYS 607 -0.717 -4.050 3.854 413 HB3 CYS 607 2HB CYS 607 -1.895 -4.540 5.065 414 HG CYS 607 HG CYS 607 0.586 -6.736 4.781 415 H LEU 608 H LEU 608 -1.780 -5.891 0.850 416 HA LEU 608 HA LEU 608 -4.030 -3.998 0.655 417 HB2 LEU 608 1HB LEU 608 -1.421 -4.076 -0.663 418 HB3 LEU 608 2HB LEU 608 -2.772 -3.863 -1.774 419 HG LEU 608 HG LEU 608 -1.692 -1.743 -1.020 420 HD11 LEU 608 1HD1 LEU 608 -3.650 -0.878 -1.586 421 HD12 LEU 608 2HD1 LEU 608 -4.252 -1.175 0.045 422 HD13 LEU 608 3HD1 LEU 608 -4.451 -2.403 -1.205 423 HD21 LEU 608 1HD2 LEU 608 -3.096 -1.939 1.581 424 HD22 LEU 608 2HD2 LEU 608 -1.625 -1.068 1.146 425 HD23 LEU 608 3HD2 LEU 608 -1.570 -2.810 1.419 426 H GLU 609 H GLU 609 -5.331 -4.217 -1.339 427 HA GLU 609 HA GLU 609 -5.238 -6.742 -2.732 428 HB2 GLU 609 1HB GLU 609 -7.206 -6.197 -0.573 429 HB3 GLU 609 2HB GLU 609 -7.810 -6.972 -2.031 430 HG2 GLU 609 1HG GLU 609 -5.620 -7.970 -0.226 431 HG3 GLU 609 2HG GLU 609 -7.237 -8.645 -0.412 432 H GLU 610 H GLU 610 -6.262 -6.669 -4.686 433 HA GLU 610 HA GLU 610 -6.723 -4.250 -5.926 434 HB2 GLU 610 1HB GLU 610 -7.341 -7.073 -6.540 435 HB3 GLU 610 2HB GLU 610 -8.302 -5.884 -7.407 436 HG2 GLU 610 1HG GLU 610 -6.028 -4.786 -7.946 437 HG3 GLU 610 2HG GLU 610 -5.354 -6.350 -7.493 438 H VAL 611 H VAL 611 -8.396 -2.876 -6.130 439 HA VAL 611 HA VAL 611 -10.615 -3.128 -4.337 440 HB VAL 611 HB VAL 611 -11.363 -0.979 -5.258 441 HG11 VAL 611 1HG1 VAL 611 -9.945 -0.381 -3.620 442 HG12 VAL 611 2HG1 VAL 611 -8.667 -1.452 -4.195 443 HG13 VAL 611 3HG1 VAL 611 -8.903 0.125 -4.949 444 HG21 VAL 611 1HG2 VAL 611 -10.926 -0.906 -7.505 445 HG22 VAL 611 2HG2 VAL 611 -9.585 0.066 -6.897 446 HG23 VAL 611 3HG2 VAL 611 -9.324 -1.623 -7.328 447 H ALA 612 H ALA 612 -10.050 -3.825 -7.681 448 HA ALA 612 HA ALA 612 -12.641 -3.711 -8.708 449 HB1 ALA 612 1HB ALA 612 -11.241 -5.936 -9.840 450 HB2 ALA 612 2HB ALA 612 -11.588 -4.360 -10.550 451 HB3 ALA 612 3HB ALA 612 -10.124 -4.593 -9.597 452 H ASN 613 H ASN 613 -14.367 -4.639 -7.814 453 HA ASN 613 HA ASN 613 -14.112 -7.249 -6.525 454 HB2 ASN 613 1HB ASN 613 -16.254 -5.130 -6.518 455 HB3 ASN 613 2HB ASN 613 -16.557 -6.747 -5.892 456 HD21 ASN 613 1HD2 ASN 613 -14.808 -4.028 -3.603 457 HD22 ASN 613 2HD2 ASN 613 -15.616 -3.698 -5.094 Start of MODEL 10 1 H1 MET 553 H MET 553 6.461 -1.934 -14.023 2 HA MET 553 HA MET 553 4.713 -0.309 -15.626 3 HB2 MET 553 1HB MET 553 4.925 -3.197 -14.937 4 HB3 MET 553 2HB MET 553 3.362 -2.602 -15.481 5 HG2 MET 553 1HG MET 553 5.927 -2.223 -17.004 6 HG3 MET 553 2HG MET 553 4.803 -3.551 -17.273 7 HE1 MET 553 1HE MET 553 5.471 0.229 -17.465 8 HE2 MET 553 2HE MET 553 5.928 -0.565 -18.971 9 HE3 MET 553 3HE MET 553 4.616 0.613 -18.958 10 H VAL 554 H VAL 554 3.861 1.215 -14.182 11 HA VAL 554 HA VAL 554 2.556 0.505 -11.759 12 HB VAL 554 HB VAL 554 3.411 2.759 -12.091 13 HG11 VAL 554 1HG1 VAL 554 2.203 2.542 -14.608 14 HG12 VAL 554 2HG1 VAL 554 1.340 3.831 -13.767 15 HG13 VAL 554 3HG1 VAL 554 3.092 3.919 -13.957 16 HG21 VAL 554 1HG2 VAL 554 0.417 2.611 -11.780 17 HG22 VAL 554 2HG2 VAL 554 1.628 2.535 -10.501 18 HG23 VAL 554 3HG2 VAL 554 1.387 4.035 -11.397 19 HA PRO 555 HA PRO 555 -1.260 -0.999 -13.413 20 HB2 PRO 555 1HB PRO 555 -2.683 -0.952 -11.103 21 HB3 PRO 555 2HB PRO 555 -1.457 -2.177 -11.451 22 HG2 PRO 555 1HG PRO 555 -1.239 0.302 -9.788 23 HG3 PRO 555 2HG PRO 555 -0.624 -1.327 -9.452 24 HD2 PRO 555 1HD PRO 555 0.956 0.661 -10.392 25 HD3 PRO 555 2HD PRO 555 1.222 -1.047 -10.804 26 H GLY 556 H GLY 556 -1.369 1.783 -11.184 27 HA2 GLY 556 1HA GLY 556 -2.285 3.892 -11.718 28 HA3 GLY 556 2HA GLY 556 -3.143 3.154 -13.063 29 H ARG 557 H ARG 557 -4.145 0.954 -11.368 30 HA ARG 557 HA ARG 557 -6.534 2.253 -10.477 31 HB2 ARG 557 1HB ARG 557 -7.348 0.043 -9.980 32 HB3 ARG 557 2HB ARG 557 -6.496 -0.009 -11.518 33 HG2 ARG 557 1HG ARG 557 -4.469 -0.716 -10.008 34 HG3 ARG 557 2HG ARG 557 -5.753 -1.193 -8.894 35 HD2 ARG 557 1HD ARG 557 -5.472 -3.132 -10.092 36 HD3 ARG 557 2HD ARG 557 -6.753 -2.350 -11.017 37 HE ARG 557 HE ARG 557 -4.321 -1.555 -12.111 38 HH11 ARG 557 1HH1 ARG 557 -5.550 -5.224 -13.137 39 HH12 ARG 557 2HH1 ARG 557 -6.176 -4.472 -11.707 40 HH21 ARG 557 1HH2 ARG 557 -4.020 -4.122 -14.437 41 HH22 ARG 557 2HH2 ARG 557 -3.488 -2.534 -13.996 42 H SER 558 H SER 558 -7.447 2.015 -8.319 43 HA SER 558 HA SER 558 -5.376 2.352 -6.276 44 HB2 SER 558 1HB SER 558 -7.455 3.184 -4.935 45 HB3 SER 558 2HB SER 558 -6.778 4.214 -6.196 46 HG SER 558 HG SER 558 -9.200 3.673 -6.088 47 H PHE 559 H PHE 559 -5.059 0.902 -4.715 48 HA PHE 559 HA PHE 559 -6.889 -1.381 -4.563 49 HB2 PHE 559 1HB PHE 559 -4.009 -0.983 -3.789 50 HB3 PHE 559 2HB PHE 559 -4.936 -2.342 -3.162 51 HD1 PHE 559 1HD PHE 559 -4.078 -0.685 -6.386 52 HD2 PHE 559 2HD PHE 559 -4.962 -4.315 -4.347 53 HE1 PHE 559 1HE PHE 559 -3.594 -1.952 -8.440 54 HE2 PHE 559 2HE PHE 559 -4.479 -5.587 -6.397 55 HZ PHE 559 HZ PHE 559 -3.795 -4.406 -8.446 56 H MET 560 H MET 560 -7.176 -2.355 -2.353 57 HA MET 560 HA MET 560 -7.515 -0.219 -0.352 58 HB2 MET 560 1HB MET 560 -9.661 -1.023 -1.236 59 HB3 MET 560 2HB MET 560 -9.236 -2.668 -0.785 60 HG2 MET 560 1HG MET 560 -8.968 -1.571 1.598 61 HG3 MET 560 2HG MET 560 -10.081 -0.389 0.915 62 HE1 MET 560 1HE MET 560 -10.618 -3.685 3.198 63 HE2 MET 560 2HE MET 560 -10.570 -4.755 1.796 64 HE3 MET 560 3HE MET 560 -9.230 -3.651 2.108 65 H ALA 561 H ALA 561 -6.806 -0.575 1.694 66 HA ALA 561 HA ALA 561 -5.038 -2.822 2.103 67 HB1 ALA 561 1HB ALA 561 -5.271 -1.373 4.497 68 HB2 ALA 561 2HB ALA 561 -3.971 -1.294 3.306 69 HB3 ALA 561 3HB ALA 561 -5.340 -0.187 3.191 70 H VAL 562 H VAL 562 -5.703 -4.708 2.866 71 HA VAL 562 HA VAL 562 -8.265 -4.957 4.193 72 HB VAL 562 HB VAL 562 -7.764 -7.390 4.202 73 HG11 VAL 562 1HG1 VAL 562 -7.610 -5.834 1.641 74 HG12 VAL 562 2HG1 VAL 562 -7.678 -7.598 1.654 75 HG13 VAL 562 3HG1 VAL 562 -8.997 -6.657 2.353 76 HG21 VAL 562 1HG2 VAL 562 -5.257 -7.020 4.326 77 HG22 VAL 562 2HG2 VAL 562 -5.809 -8.285 3.226 78 HG23 VAL 562 3HG2 VAL 562 -5.317 -6.716 2.589 79 H LYS 563 H LYS 563 -5.117 -4.349 5.160 80 HA LYS 563 HA LYS 563 -5.800 -4.707 7.934 81 HB2 LYS 563 1HB LYS 563 -3.794 -6.121 8.425 82 HB3 LYS 563 2HB LYS 563 -5.056 -6.949 7.522 83 HG2 LYS 563 1HG LYS 563 -3.698 -6.291 5.437 84 HG3 LYS 563 2HG LYS 563 -2.383 -5.996 6.576 85 HD2 LYS 563 1HD LYS 563 -3.911 -8.588 6.355 86 HD3 LYS 563 2HD LYS 563 -2.351 -8.275 5.590 87 HE2 LYS 563 1HE LYS 563 -1.635 -7.627 8.023 88 HE3 LYS 563 2HE LYS 563 -3.020 -8.615 8.479 89 HZ1 LYS 563 1HZ LYS 563 -0.637 -9.463 6.932 90 HZ2 LYS 563 2HZ LYS 563 -2.028 -10.413 7.089 91 HZ3 LYS 563 3HZ LYS 563 -1.121 -10.009 8.459 92 H SER 564 H SER 564 -4.418 -3.580 9.344 93 HA SER 564 HA SER 564 -3.064 -1.366 8.134 94 HB2 SER 564 1HB SER 564 -2.750 -0.553 10.379 95 HB3 SER 564 2HB SER 564 -4.372 -1.234 10.277 96 HG SER 564 HG SER 564 -3.821 -2.776 11.620 97 H TYR 565 H TYR 565 -0.846 -0.719 8.818 98 HA TYR 565 HA TYR 565 0.951 -2.946 9.397 99 HB2 TYR 565 1HB TYR 565 0.776 -2.876 6.938 100 HB3 TYR 565 2HB TYR 565 1.271 -1.187 6.955 101 HD1 TYR 565 1HD TYR 565 3.560 -0.585 7.079 102 HD2 TYR 565 2HD TYR 565 2.403 -4.636 7.673 103 HE1 TYR 565 1HE TYR 565 5.919 -1.269 6.957 104 HE2 TYR 565 2HE TYR 565 4.759 -5.332 7.556 105 HH TYR 565 HH TYR 565 7.197 -3.371 6.384 106 H GLN 566 H GLN 566 2.919 -2.335 10.295 107 HA GLN 566 HA GLN 566 3.093 0.503 11.061 108 HB2 GLN 566 1HB GLN 566 2.738 -1.338 12.841 109 HB3 GLN 566 2HB GLN 566 4.425 -1.741 12.553 110 HG2 GLN 566 1HG GLN 566 4.606 -0.312 14.327 111 HG3 GLN 566 2HG GLN 566 4.813 0.800 12.976 112 HE21 GLN 566 1HE2 GLN 566 1.443 0.935 15.276 113 HE22 GLN 566 2HE2 GLN 566 2.449 -0.469 15.258 114 H ALA 567 H ALA 567 4.580 1.537 9.909 115 HA ALA 567 HA ALA 567 6.567 0.447 8.342 116 HB1 ALA 567 1HB ALA 567 7.474 2.621 8.138 117 HB2 ALA 567 2HB ALA 567 5.736 2.834 8.359 118 HB3 ALA 567 3HB ALA 567 6.838 3.113 9.709 119 H GLN 568 H GLN 568 8.548 -0.368 8.670 120 HA GLN 568 HA GLN 568 9.675 -0.172 11.385 121 HB2 GLN 568 1HB GLN 568 10.083 -2.457 9.454 122 HB3 GLN 568 2HB GLN 568 10.578 -2.386 11.140 123 HG2 GLN 568 1HG GLN 568 7.989 -2.039 11.516 124 HG3 GLN 568 2HG GLN 568 7.900 -2.870 9.963 125 HE21 GLN 568 1HE2 GLN 568 7.794 -5.289 12.816 126 HE22 GLN 568 2HE2 GLN 568 6.919 -3.847 12.439 127 H ALA 569 H ALA 569 10.262 0.001 7.958 128 HA ALA 569 HA ALA 569 13.126 0.319 8.278 129 HB1 ALA 569 1HB ALA 569 13.290 0.171 5.988 130 HB2 ALA 569 2HB ALA 569 11.831 -0.772 6.289 131 HB3 ALA 569 3HB ALA 569 11.704 0.890 5.719 132 H GLU 570 H GLU 570 13.795 2.256 6.503 133 HA GLU 570 HA GLU 570 13.055 4.659 7.962 134 HB2 GLU 570 1HB GLU 570 15.011 5.586 7.210 135 HB3 GLU 570 2HB GLU 570 15.444 3.885 7.131 136 HG2 GLU 570 1HG GLU 570 14.790 3.906 4.726 137 HG3 GLU 570 2HG GLU 570 14.583 5.652 4.856 138 H GLY 571 H GLY 571 12.622 3.218 4.805 139 HA2 GLY 571 1HA GLY 571 11.217 5.642 3.892 140 HA3 GLY 571 2HA GLY 571 11.853 4.384 2.841 141 H GLU 572 H GLU 572 10.419 2.961 5.490 142 HA GLU 572 HA GLU 572 8.136 2.155 3.893 143 HB2 GLU 572 1HB GLU 572 9.559 1.126 6.254 144 HB3 GLU 572 2HB GLU 572 7.816 0.902 6.299 145 HG2 GLU 572 1HG GLU 572 8.655 -1.048 5.332 146 HG3 GLU 572 2HG GLU 572 8.032 -0.103 3.981 147 H ILE 573 H ILE 573 5.959 2.269 4.634 148 HA ILE 573 HA ILE 573 5.473 4.361 6.651 149 HB ILE 573 HB ILE 573 3.459 5.014 5.302 150 HG12 ILE 573 1HG1 ILE 573 4.646 3.955 2.826 151 HG13 ILE 573 2HG1 ILE 573 3.967 2.727 3.889 152 HG21 ILE 573 1HG2 ILE 573 6.218 5.386 4.158 153 HG22 ILE 573 2HG2 ILE 573 4.806 6.271 3.584 154 HG23 ILE 573 3HG2 ILE 573 5.343 6.455 5.255 155 HD11 ILE 573 1HD1 ILE 573 2.611 4.307 2.048 156 HD12 ILE 573 2HD1 ILE 573 1.908 3.250 3.273 157 HD13 ILE 573 3HD1 ILE 573 2.170 4.957 3.628 158 H SER 574 H SER 574 3.164 4.318 7.452 159 HA SER 574 HA SER 574 2.523 1.586 8.195 160 HB2 SER 574 1HB SER 574 1.661 2.481 10.080 161 HB3 SER 574 2HB SER 574 2.442 3.975 9.563 162 HG SER 574 HG SER 574 0.530 4.791 9.355 163 H LEU 575 H LEU 575 -0.013 1.274 8.482 164 HA LEU 575 HA LEU 575 -1.432 2.214 6.105 165 HB2 LEU 575 1HB LEU 575 -0.592 -0.557 6.670 166 HB3 LEU 575 2HB LEU 575 -2.253 -0.351 6.118 167 HG LEU 575 HG LEU 575 -1.044 1.073 4.229 168 HD11 LEU 575 1HD1 LEU 575 1.185 0.632 5.356 169 HD12 LEU 575 2HD1 LEU 575 1.089 0.285 3.630 170 HD13 LEU 575 3HD1 LEU 575 1.021 -1.033 4.798 171 HD21 LEU 575 1HD2 LEU 575 -2.097 -1.549 4.483 172 HD22 LEU 575 2HD2 LEU 575 -0.678 -1.629 3.439 173 HD23 LEU 575 3HD2 LEU 575 -2.004 -0.534 3.043 174 H SER 576 H SER 576 -3.781 1.380 6.182 175 HA SER 576 HA SER 576 -4.764 1.083 8.920 176 HB2 SER 576 1HB SER 576 -5.201 3.436 7.157 177 HB3 SER 576 2HB SER 576 -6.594 2.853 8.069 178 HG SER 576 HG SER 576 -4.727 4.409 8.959 179 H LYS 577 H LYS 577 -6.173 -0.525 8.973 180 HA LYS 577 HA LYS 577 -7.072 -1.951 6.777 181 HB2 LYS 577 1HB LYS 577 -7.127 -2.453 9.369 182 HB3 LYS 577 2HB LYS 577 -8.771 -1.841 9.235 183 HG2 LYS 577 1HG LYS 577 -7.859 -3.932 7.325 184 HG3 LYS 577 2HG LYS 577 -8.251 -4.396 8.982 185 HD2 LYS 577 1HD LYS 577 -10.406 -2.927 8.478 186 HD3 LYS 577 2HD LYS 577 -10.018 -3.381 6.817 187 HE2 LYS 577 1HE LYS 577 -10.500 -5.575 7.161 188 HE3 LYS 577 2HE LYS 577 -9.976 -5.539 8.844 189 HZ1 LYS 577 1HZ LYS 577 -12.505 -4.367 7.818 190 HZ2 LYS 577 2HZ LYS 577 -12.009 -4.406 9.435 191 HZ3 LYS 577 3HZ LYS 577 -12.377 -5.847 8.628 192 H GLY 578 H GLY 578 -8.510 -1.526 5.240 193 HA2 GLY 578 1HA GLY 578 -10.625 -0.910 4.410 194 HA3 GLY 578 2HA GLY 578 -10.908 0.010 5.881 195 H GLU 579 H GLU 579 -7.901 0.873 5.045 196 HA GLU 579 HA GLU 579 -8.813 3.360 3.875 197 HB2 GLU 579 1HB GLU 579 -6.914 2.899 5.684 198 HB3 GLU 579 2HB GLU 579 -5.917 2.773 4.241 199 HG2 GLU 579 1HG GLU 579 -5.903 5.023 5.220 200 HG3 GLU 579 2HG GLU 579 -6.515 5.000 3.567 201 H LYS 580 H LYS 580 -8.506 4.032 1.821 202 HA LYS 580 HA LYS 580 -7.813 2.065 -0.154 203 HB2 LYS 580 1HB LYS 580 -9.589 3.963 -0.289 204 HB3 LYS 580 2HB LYS 580 -8.229 4.980 -0.748 205 HG2 LYS 580 1HG LYS 580 -9.269 4.237 -2.744 206 HG3 LYS 580 2HG LYS 580 -7.746 3.359 -2.591 207 HD2 LYS 580 1HD LYS 580 -9.443 1.809 -3.276 208 HD3 LYS 580 2HD LYS 580 -9.020 1.459 -1.598 209 HE2 LYS 580 1HE LYS 580 -11.442 1.385 -1.959 210 HE3 LYS 580 2HE LYS 580 -10.988 2.661 -0.831 211 HZ1 LYS 580 1HZ LYS 580 -11.413 3.180 -3.714 212 HZ2 LYS 580 2HZ LYS 580 -11.348 4.301 -2.449 213 HZ3 LYS 580 3HZ LYS 580 -12.673 3.260 -2.588 214 H ILE 581 H ILE 581 -5.763 1.585 -0.572 215 HA ILE 581 HA ILE 581 -3.713 3.662 -0.325 216 HB ILE 581 HB ILE 581 -3.098 0.795 -0.929 217 HG12 ILE 581 1HG1 ILE 581 -4.643 0.652 0.932 218 HG13 ILE 581 2HG1 ILE 581 -3.009 0.370 1.524 219 HG21 ILE 581 1HG2 ILE 581 -1.143 1.991 -0.967 220 HG22 ILE 581 2HG2 ILE 581 -1.696 3.145 0.246 221 HG23 ILE 581 3HG2 ILE 581 -1.198 1.524 0.734 222 HD11 ILE 581 1HD1 ILE 581 -4.921 2.358 2.309 223 HD12 ILE 581 2HD1 ILE 581 -3.389 1.912 3.061 224 HD13 ILE 581 3HD1 ILE 581 -3.423 3.117 1.773 225 H LYS 582 H LYS 582 -2.572 4.429 -2.016 226 HA LYS 582 HA LYS 582 -3.210 3.329 -4.675 227 HB2 LYS 582 1HB LYS 582 -4.101 5.563 -4.439 228 HB3 LYS 582 2HB LYS 582 -2.557 6.163 -3.853 229 HG2 LYS 582 1HG LYS 582 -2.988 6.788 -6.183 230 HG3 LYS 582 2HG LYS 582 -1.546 5.784 -6.013 231 HD2 LYS 582 1HD LYS 582 -2.598 3.912 -6.931 232 HD3 LYS 582 2HD LYS 582 -4.212 4.569 -6.654 233 HE2 LYS 582 1HE LYS 582 -2.344 6.017 -8.473 234 HE3 LYS 582 2HE LYS 582 -3.153 4.562 -9.056 235 HZ1 LYS 582 1HZ LYS 582 -4.231 7.190 -8.540 236 HZ2 LYS 582 2HZ LYS 582 -5.179 5.926 -7.936 237 HZ3 LYS 582 3HZ LYS 582 -4.786 5.977 -9.581 238 H VAL 583 H VAL 583 -1.560 2.124 -5.355 239 HA VAL 583 HA VAL 583 1.121 2.460 -4.466 240 HB VAL 583 HB VAL 583 0.284 0.271 -5.154 241 HG11 VAL 583 1HG1 VAL 583 0.476 0.633 -8.015 242 HG12 VAL 583 2HG1 VAL 583 -0.816 -0.093 -7.056 243 HG13 VAL 583 3HG1 VAL 583 -0.784 1.651 -7.319 244 HG21 VAL 583 1HG2 VAL 583 2.608 0.366 -5.241 245 HG22 VAL 583 2HG2 VAL 583 2.169 -0.259 -6.830 246 HG23 VAL 583 3HG2 VAL 583 2.609 1.438 -6.641 247 H LEU 584 H LEU 584 2.602 3.840 -5.169 248 HA LEU 584 HA LEU 584 2.185 5.145 -7.772 249 HB2 LEU 584 1HB LEU 584 3.860 6.059 -5.439 250 HB3 LEU 584 2HB LEU 584 3.575 6.953 -6.931 251 HG LEU 584 HG LEU 584 1.419 6.235 -4.950 252 HD11 LEU 584 1HD1 LEU 584 1.745 8.167 -3.831 253 HD12 LEU 584 2HD1 LEU 584 2.319 9.027 -5.258 254 HD13 LEU 584 3HD1 LEU 584 3.404 7.947 -4.386 255 HD21 LEU 584 1HD2 LEU 584 0.888 8.507 -6.602 256 HD22 LEU 584 2HD2 LEU 584 -0.006 6.992 -6.473 257 HD23 LEU 584 3HD2 LEU 584 1.327 7.135 -7.618 258 H SER 585 H SER 585 4.315 3.137 -5.948 259 HA SER 585 HA SER 585 6.059 2.895 -8.280 260 HB2 SER 585 1HB SER 585 6.825 4.132 -5.762 261 HB3 SER 585 2HB SER 585 7.841 2.741 -6.139 262 HG SER 585 HG SER 585 7.694 5.195 -7.360 263 H ILE 586 H ILE 586 7.698 1.045 -7.851 264 HA ILE 586 HA ILE 586 6.642 -1.036 -6.109 265 HB ILE 586 HB ILE 586 6.728 -2.701 -8.005 266 HG12 ILE 586 1HG1 ILE 586 6.442 -0.262 -9.761 267 HG13 ILE 586 2HG1 ILE 586 7.980 -1.087 -9.524 268 HG21 ILE 586 1HG2 ILE 586 4.622 -1.989 -7.077 269 HG22 ILE 586 2HG2 ILE 586 4.638 -0.532 -8.070 270 HG23 ILE 586 3HG2 ILE 586 4.470 -2.115 -8.829 271 HD11 ILE 586 1HD1 ILE 586 6.095 -1.643 -11.453 272 HD12 ILE 586 2HD1 ILE 586 7.450 -2.671 -10.984 273 HD13 ILE 586 3HD1 ILE 586 5.862 -2.920 -10.259 274 H GLY 587 H GLY 587 8.064 -3.141 -6.578 275 HA2 GLY 587 1HA GLY 587 10.815 -2.486 -7.250 276 HA3 GLY 587 2HA GLY 587 10.525 -2.873 -5.560 277 H GLU 588 H GLU 588 10.271 -4.971 -4.944 278 HA GLU 588 HA GLU 588 10.094 -7.017 -7.035 279 HB2 GLU 588 1HB GLU 588 12.517 -6.469 -6.183 280 HB3 GLU 588 2HB GLU 588 12.030 -7.418 -4.787 281 HG2 GLU 588 1HG GLU 588 13.226 -8.768 -6.423 282 HG3 GLU 588 2HG GLU 588 11.567 -9.324 -6.211 283 H GLY 589 H GLY 589 9.599 -9.184 -6.147 284 HA2 GLY 589 1HA GLY 589 8.171 -10.524 -4.946 285 HA3 GLY 589 2HA GLY 589 8.870 -9.740 -3.537 286 H GLY 590 H GLY 590 6.982 -9.666 -2.350 287 HA2 GLY 590 1HA GLY 590 4.646 -8.358 -3.515 288 HA3 GLY 590 2HA GLY 590 4.720 -9.158 -1.951 289 H PHE 591 H PHE 591 6.881 -6.658 -3.214 290 HA PHE 591 HA PHE 591 5.878 -4.845 -1.121 291 HB2 PHE 591 1HB PHE 591 8.446 -5.990 -1.294 292 HB3 PHE 591 2HB PHE 591 8.632 -4.306 -1.769 293 HD1 PHE 591 1HD PHE 591 7.619 -6.571 0.937 294 HD2 PHE 591 2HD PHE 591 8.354 -2.535 -0.191 295 HE1 PHE 591 1HE PHE 591 7.586 -5.908 3.306 296 HE2 PHE 591 2HE PHE 591 8.323 -1.864 2.174 297 HZ PHE 591 HZ PHE 591 7.940 -3.551 3.927 298 H TRP 592 H TRP 592 5.635 -2.714 -1.655 299 HA TRP 592 HA TRP 592 6.721 -1.599 -4.062 300 HB2 TRP 592 1HB TRP 592 4.543 -1.128 -5.141 301 HB3 TRP 592 2HB TRP 592 4.893 -2.853 -5.060 302 HD1 TRP 592 HD TRP 592 3.863 -2.073 -1.703 303 HE1 TRP 592 1HE TRP 592 1.359 -2.536 -1.328 304 HE3 TRP 592 3HE TRP 592 2.369 -2.443 -6.577 305 HZ2 TRP 592 2HZ TRP 592 -0.944 -3.000 -2.890 306 HZ3 TRP 592 3HZ TRP 592 -0.002 -2.899 -7.052 307 HH2 TRP 592 HH TRP 592 -1.623 -3.172 -5.246 308 H GLU 593 H GLU 593 5.776 0.659 -4.435 309 HA GLU 593 HA GLU 593 5.474 1.929 -1.808 310 HB2 GLU 593 1HB GLU 593 6.993 2.561 -4.145 311 HB3 GLU 593 2HB GLU 593 5.850 3.864 -3.855 312 HG2 GLU 593 1HG GLU 593 7.181 2.995 -1.427 313 HG3 GLU 593 2HG GLU 593 8.309 3.549 -2.662 314 H GLY 594 H GLY 594 3.802 3.313 -1.336 315 HA2 GLY 594 1HA GLY 594 1.865 4.022 -3.377 316 HA3 GLY 594 2HA GLY 594 1.282 2.889 -2.166 317 H GLN 595 H GLN 595 -0.256 4.779 -1.919 318 HA GLN 595 HA GLN 595 0.793 6.540 0.185 319 HB2 GLN 595 1HB GLN 595 0.677 7.995 -1.675 320 HB3 GLN 595 2HB GLN 595 -0.856 7.319 -2.210 321 HG2 GLN 595 1HG GLN 595 -2.064 8.433 -0.566 322 HG3 GLN 595 2HG GLN 595 -0.632 8.725 0.419 323 HE21 GLN 595 1HE2 GLN 595 -0.599 11.969 -0.785 324 HE22 GLN 595 2HE2 GLN 595 -0.703 10.895 0.564 325 H VAL 596 H VAL 596 -0.479 6.747 1.946 326 HA VAL 596 HA VAL 596 -3.232 5.724 1.801 327 HB VAL 596 HB VAL 596 -1.899 3.939 2.762 328 HG11 VAL 596 1HG1 VAL 596 -1.119 5.108 5.250 329 HG12 VAL 596 2HG1 VAL 596 -0.116 4.326 4.026 330 HG13 VAL 596 3HG1 VAL 596 -0.446 6.058 3.924 331 HG21 VAL 596 1HG2 VAL 596 -4.174 4.971 3.835 332 HG22 VAL 596 2HG2 VAL 596 -3.432 3.451 4.335 333 HG23 VAL 596 3HG2 VAL 596 -3.115 4.927 5.244 334 H LYS 597 H LYS 597 -4.544 7.332 2.331 335 HA LYS 597 HA LYS 597 -5.220 9.377 3.148 336 HB2 LYS 597 1HB LYS 597 -5.247 9.331 5.700 337 HB3 LYS 597 2HB LYS 597 -6.064 8.011 4.872 338 HG2 LYS 597 1HG LYS 597 -4.907 6.909 6.528 339 HG3 LYS 597 2HG LYS 597 -3.809 6.767 5.154 340 HD2 LYS 597 1HD LYS 597 -2.571 7.389 7.144 341 HD3 LYS 597 2HD LYS 597 -2.553 8.718 5.983 342 HE2 LYS 597 1HE LYS 597 -3.264 10.025 7.641 343 HE3 LYS 597 2HE LYS 597 -4.812 9.190 7.520 344 HZ1 LYS 597 1HZ LYS 597 -2.773 7.859 9.103 345 HZ2 LYS 597 2HZ LYS 597 -4.432 8.029 9.392 346 HZ3 LYS 597 3HZ LYS 597 -3.376 9.301 9.752 347 H GLY 598 H GLY 598 -2.511 9.474 2.248 348 HA2 GLY 598 1HA GLY 598 -1.300 11.603 2.374 349 HA3 GLY 598 2HA GLY 598 -1.452 11.499 4.123 350 H ARG 599 H ARG 599 -0.664 9.011 4.737 351 HA ARG 599 HA ARG 599 2.119 9.150 4.661 352 HB2 ARG 599 1HB ARG 599 0.117 7.128 5.484 353 HB3 ARG 599 2HB ARG 599 1.738 6.525 5.160 354 HG2 ARG 599 1HG ARG 599 2.313 8.658 6.708 355 HG3 ARG 599 2HG ARG 599 0.743 8.192 7.364 356 HD2 ARG 599 1HD ARG 599 1.497 6.060 7.964 357 HD3 ARG 599 2HD ARG 599 2.908 6.168 6.911 358 HE ARG 599 HE ARG 599 4.039 7.219 8.598 359 HH11 ARG 599 1HH1 ARG 599 0.835 7.961 10.881 360 HH12 ARG 599 2HH1 ARG 599 0.626 7.311 9.289 361 HH21 ARG 599 1HH2 ARG 599 2.937 8.396 11.679 362 HH22 ARG 599 2HH2 ARG 599 4.324 8.075 10.693 363 H VAL 600 H VAL 600 3.232 9.144 2.805 364 HA VAL 600 HA VAL 600 2.633 7.036 0.835 365 HB VAL 600 HB VAL 600 4.085 9.624 0.286 366 HG11 VAL 600 1HG1 VAL 600 4.375 7.525 -1.182 367 HG12 VAL 600 2HG1 VAL 600 2.728 7.858 -1.719 368 HG13 VAL 600 3HG1 VAL 600 3.998 9.057 -1.969 369 HG21 VAL 600 1HG2 VAL 600 1.590 9.634 -0.994 370 HG22 VAL 600 2HG2 VAL 600 1.278 9.161 0.675 371 HG23 VAL 600 3HG2 VAL 600 2.124 10.669 0.328 372 H GLY 601 H GLY 601 4.077 5.454 0.732 373 HA2 GLY 601 1HA GLY 601 6.866 5.886 0.549 374 HA3 GLY 601 2HA GLY 601 6.459 5.362 2.176 375 H TRP 602 H TRP 602 7.627 3.433 1.916 376 HA TRP 602 HA TRP 602 6.628 1.552 -0.096 377 HB2 TRP 602 1HB TRP 602 9.032 1.351 1.733 378 HB3 TRP 602 2HB TRP 602 8.597 0.192 0.480 379 HD1 TRP 602 HD TRP 602 9.245 4.032 0.567 380 HE1 TRP 602 1HE TRP 602 10.664 4.632 -1.496 381 HE3 TRP 602 3HE TRP 602 9.639 -0.615 -1.527 382 HZ2 TRP 602 2HZ TRP 602 11.800 3.310 -3.716 383 HZ3 TRP 602 3HZ TRP 602 10.907 -0.862 -3.622 384 HH2 TRP 602 HH TRP 602 11.965 1.061 -4.691 385 H PHE 603 H PHE 603 5.969 -0.562 0.473 386 HA PHE 603 HA PHE 603 5.776 -1.522 3.108 387 HB2 PHE 603 1HB PHE 603 3.417 -1.233 3.577 388 HB3 PHE 603 2HB PHE 603 4.150 0.347 3.316 389 HD1 PHE 603 1HD PHE 603 1.896 -2.189 1.934 390 HD2 PHE 603 2HD PHE 603 3.553 1.698 1.427 391 HE1 PHE 603 1HE PHE 603 0.204 -1.696 0.218 392 HE2 PHE 603 2HE PHE 603 1.864 2.198 -0.289 393 HZ PHE 603 HZ PHE 603 0.186 0.501 -0.896 394 HA PRO 604 HA PRO 604 4.850 -5.222 0.938 395 HB2 PRO 604 1HB PRO 604 3.485 -6.628 2.815 396 HB3 PRO 604 2HB PRO 604 5.227 -6.339 2.909 397 HG2 PRO 604 1HG PRO 604 2.991 -4.911 4.298 398 HG3 PRO 604 2HG PRO 604 4.554 -5.439 4.946 399 HD2 PRO 604 1HD PRO 604 4.072 -2.878 4.210 400 HD3 PRO 604 2HD PRO 604 5.674 -3.629 4.061 401 H SER 605 H SER 605 3.389 -5.726 -0.566 402 HA SER 605 HA SER 605 0.829 -4.478 -0.623 403 HB2 SER 605 1HB SER 605 0.791 -5.101 -2.801 404 HB3 SER 605 2HB SER 605 2.486 -5.509 -2.532 405 HG SER 605 HG SER 605 1.583 -7.316 -3.380 406 H ASP 606 H ASP 606 1.947 -7.188 0.967 407 HA ASP 606 HA ASP 606 -0.101 -9.060 0.695 408 HB2 ASP 606 1HB ASP 606 2.181 -9.109 2.028 409 HB3 ASP 606 2HB ASP 606 1.153 -8.626 3.374 410 H CYS 607 H CYS 607 0.051 -6.105 2.558 411 HA CYS 607 HA CYS 607 -2.417 -6.682 3.967 412 HB2 CYS 607 1HB CYS 607 -0.936 -4.053 3.921 413 HB3 CYS 607 2HB CYS 607 -2.055 -4.645 5.145 414 HG CYS 607 HG CYS 607 0.348 -6.818 4.978 415 H LEU 608 H LEU 608 -1.818 -5.887 0.903 416 HA LEU 608 HA LEU 608 -4.101 -4.040 0.692 417 HB2 LEU 608 1HB LEU 608 -1.537 -4.242 -0.714 418 HB3 LEU 608 2HB LEU 608 -2.927 -4.007 -1.770 419 HG LEU 608 HG LEU 608 -1.690 -1.923 -1.062 420 HD11 LEU 608 1HD1 LEU 608 -3.598 -1.051 -1.777 421 HD12 LEU 608 2HD1 LEU 608 -4.197 -1.115 -0.121 422 HD13 LEU 608 3HD1 LEU 608 -4.508 -2.455 -1.222 423 HD21 LEU 608 1HD2 LEU 608 -3.178 -2.073 1.514 424 HD22 LEU 608 2HD2 LEU 608 -1.736 -1.148 1.094 425 HD23 LEU 608 3HD2 LEU 608 -1.617 -2.885 1.383 426 H GLU 609 H GLU 609 -5.495 -4.327 -1.210 427 HA GLU 609 HA GLU 609 -5.472 -6.893 -2.531 428 HB2 GLU 609 1HB GLU 609 -7.344 -6.268 -0.309 429 HB3 GLU 609 2HB GLU 609 -8.013 -7.086 -1.715 430 HG2 GLU 609 1HG GLU 609 -5.750 -8.042 0.020 431 HG3 GLU 609 2HG GLU 609 -7.380 -8.709 -0.066 432 H GLU 610 H GLU 610 -6.633 -6.900 -4.422 433 HA GLU 610 HA GLU 610 -7.100 -4.528 -5.746 434 HB2 GLU 610 1HB GLU 610 -7.815 -7.355 -6.189 435 HB3 GLU 610 2HB GLU 610 -8.817 -6.189 -7.041 436 HG2 GLU 610 1HG GLU 610 -6.529 -5.161 -7.746 437 HG3 GLU 610 2HG GLU 610 -5.909 -6.761 -7.338 438 H VAL 611 H VAL 611 -8.983 -3.389 -6.345 439 HA VAL 611 HA VAL 611 -11.156 -3.613 -4.376 440 HB VAL 611 HB VAL 611 -10.377 -1.254 -6.099 441 HG11 VAL 611 1HG1 VAL 611 -12.625 -0.908 -5.767 442 HG12 VAL 611 2HG1 VAL 611 -12.639 -1.753 -4.219 443 HG13 VAL 611 3HG1 VAL 611 -11.954 -0.130 -4.334 444 HG21 VAL 611 1HG2 VAL 611 -9.491 -0.252 -4.133 445 HG22 VAL 611 2HG2 VAL 611 -10.121 -1.545 -3.111 446 HG23 VAL 611 3HG2 VAL 611 -8.803 -1.873 -4.235 447 H ALA 612 H ALA 612 -12.527 -5.069 -5.324 448 HA ALA 612 HA ALA 612 -13.315 -4.742 -8.100 449 HB1 ALA 612 1HB ALA 612 -12.970 -6.961 -6.713 450 HB2 ALA 612 2HB ALA 612 -14.666 -6.693 -6.309 451 HB3 ALA 612 3HB ALA 612 -14.176 -6.855 -7.996 452 H ASN 613 H ASN 613 -15.207 -3.917 -8.815 453 HA ASN 613 HA ASN 613 -16.718 -2.233 -7.122 454 HB2 ASN 613 1HB ASN 613 -17.603 -3.250 -9.825 455 HB3 ASN 613 2HB ASN 613 -18.038 -1.732 -9.045 456 HD21 ASN 613 1HD2 ASN 613 -15.111 -1.687 -11.604 457 HD22 ASN 613 2HD2 ASN 613 -16.446 -2.781 -11.546 Start of MODEL 11 1 H1 MET 553 H MET 553 4.118 -1.810 -15.489 2 HA MET 553 HA MET 553 6.175 -0.256 -14.194 3 HB2 MET 553 1HB MET 553 4.035 0.478 -16.196 4 HB3 MET 553 2HB MET 553 5.232 1.613 -15.583 5 HG2 MET 553 1HG MET 553 5.991 -0.951 -16.947 6 HG3 MET 553 2HG MET 553 5.699 0.546 -17.828 7 HE1 MET 553 1HE MET 553 9.573 -0.794 -16.259 8 HE2 MET 553 2HE MET 553 8.046 -1.646 -16.030 9 HE3 MET 553 3HE MET 553 8.603 -1.254 -17.659 10 H VAL 554 H VAL 554 2.629 0.067 -14.454 11 HA VAL 554 HA VAL 554 2.374 0.719 -11.677 12 HB VAL 554 HB VAL 554 3.153 2.887 -12.454 13 HG11 VAL 554 1HG1 VAL 554 2.082 4.148 -14.160 14 HG12 VAL 554 2HG1 VAL 554 2.384 2.541 -14.825 15 HG13 VAL 554 3HG1 VAL 554 0.765 2.983 -14.283 16 HG21 VAL 554 1HG2 VAL 554 1.186 4.259 -11.777 17 HG22 VAL 554 2HG2 VAL 554 0.207 2.794 -11.818 18 HG23 VAL 554 3HG2 VAL 554 1.544 2.931 -10.675 19 HA PRO 555 HA PRO 555 -1.567 -1.033 -12.663 20 HB2 PRO 555 1HB PRO 555 -2.748 -0.608 -10.256 21 HB3 PRO 555 2HB PRO 555 -1.545 -1.874 -10.525 22 HG2 PRO 555 1HG PRO 555 -1.198 0.843 -9.320 23 HG3 PRO 555 2HG PRO 555 -0.528 -0.709 -8.789 24 HD2 PRO 555 1HD PRO 555 0.918 1.097 -10.196 25 HD3 PRO 555 2HD PRO 555 1.168 -0.654 -10.350 26 H GLY 556 H GLY 556 -1.582 2.028 -10.820 27 HA2 GLY 556 1HA GLY 556 -2.582 4.041 -11.523 28 HA3 GLY 556 2HA GLY 556 -3.449 3.150 -12.767 29 H ARG 557 H ARG 557 -4.679 1.182 -11.285 30 HA ARG 557 HA ARG 557 -6.902 2.591 -10.232 31 HB2 ARG 557 1HB ARG 557 -7.891 0.464 -9.861 32 HB3 ARG 557 2HB ARG 557 -6.945 0.317 -11.335 33 HG2 ARG 557 1HG ARG 557 -5.183 -0.414 -9.329 34 HG3 ARG 557 2HG ARG 557 -6.722 -1.124 -8.841 35 HD2 ARG 557 1HD ARG 557 -6.616 -1.653 -11.539 36 HD3 ARG 557 2HD ARG 557 -4.937 -1.836 -11.033 37 HE ARG 557 HE ARG 557 -6.721 -3.194 -9.279 38 HH11 ARG 557 1HH1 ARG 557 -5.155 -5.148 -12.402 39 HH12 ARG 557 2HH1 ARG 557 -5.136 -3.416 -12.370 40 HH21 ARG 557 1HH2 ARG 557 -6.074 -6.319 -10.661 41 HH22 ARG 557 2HH2 ARG 557 -6.752 -5.476 -9.310 42 H SER 558 H SER 558 -7.812 2.257 -8.056 43 HA SER 558 HA SER 558 -5.702 2.533 -6.048 44 HB2 SER 558 1HB SER 558 -8.603 2.980 -5.447 45 HB3 SER 558 2HB SER 558 -7.185 3.793 -4.783 46 HG SER 558 HG SER 558 -8.398 5.088 -6.280 47 H PHE 559 H PHE 559 -5.250 0.969 -4.654 48 HA PHE 559 HA PHE 559 -7.057 -1.331 -4.490 49 HB2 PHE 559 1HB PHE 559 -4.128 -0.947 -3.956 50 HB3 PHE 559 2HB PHE 559 -4.983 -2.321 -3.264 51 HD1 PHE 559 1HD PHE 559 -4.272 -0.630 -6.492 52 HD2 PHE 559 2HD PHE 559 -5.299 -4.253 -4.510 53 HE1 PHE 559 1HE PHE 559 -3.990 -1.861 -8.604 54 HE2 PHE 559 2HE PHE 559 -5.018 -5.491 -6.618 55 HZ PHE 559 HZ PHE 559 -4.362 -4.295 -8.668 56 H MET 560 H MET 560 -7.799 -2.147 -2.538 57 HA MET 560 HA MET 560 -7.779 -0.220 -0.334 58 HB2 MET 560 1HB MET 560 -9.968 -0.966 -1.178 59 HB3 MET 560 2HB MET 560 -9.547 -2.630 -0.797 60 HG2 MET 560 1HG MET 560 -9.164 -1.555 1.608 61 HG3 MET 560 2HG MET 560 -10.355 -0.416 0.987 62 HE1 MET 560 1HE MET 560 -9.492 -4.157 1.156 63 HE2 MET 560 2HE MET 560 -9.958 -3.825 2.824 64 HE3 MET 560 3HE MET 560 -10.954 -4.884 1.823 65 H ALA 561 H ALA 561 -6.911 -0.653 1.620 66 HA ALA 561 HA ALA 561 -5.205 -2.963 1.860 67 HB1 ALA 561 1HB ALA 561 -5.422 -1.442 4.291 68 HB2 ALA 561 2HB ALA 561 -4.037 -1.652 3.220 69 HB3 ALA 561 3HB ALA 561 -5.207 -0.370 2.907 70 H VAL 562 H VAL 562 -5.751 -4.840 2.743 71 HA VAL 562 HA VAL 562 -8.299 -5.113 4.101 72 HB VAL 562 HB VAL 562 -7.733 -7.549 4.134 73 HG11 VAL 562 1HG1 VAL 562 -7.656 -7.674 1.512 74 HG12 VAL 562 2HG1 VAL 562 -9.075 -7.036 2.344 75 HG13 VAL 562 3HG1 VAL 562 -7.896 -5.932 1.636 76 HG21 VAL 562 1HG2 VAL 562 -5.377 -6.770 2.427 77 HG22 VAL 562 2HG2 VAL 562 -5.250 -7.167 4.140 78 HG23 VAL 562 3HG2 VAL 562 -5.815 -8.381 2.994 79 H LYS 563 H LYS 563 -5.168 -4.416 5.016 80 HA LYS 563 HA LYS 563 -5.783 -4.778 7.799 81 HB2 LYS 563 1HB LYS 563 -3.760 -6.168 8.269 82 HB3 LYS 563 2HB LYS 563 -5.021 -7.015 7.383 83 HG2 LYS 563 1HG LYS 563 -3.492 -6.023 5.358 84 HG3 LYS 563 2HG LYS 563 -2.283 -6.358 6.599 85 HD2 LYS 563 1HD LYS 563 -4.359 -8.336 5.658 86 HD3 LYS 563 2HD LYS 563 -2.700 -8.268 5.057 87 HE2 LYS 563 1HE LYS 563 -1.897 -8.623 7.372 88 HE3 LYS 563 2HE LYS 563 -3.569 -8.795 7.898 89 HZ1 LYS 563 1HZ LYS 563 -3.516 -10.575 5.943 90 HZ2 LYS 563 2HZ LYS 563 -3.113 -10.960 7.539 91 HZ3 LYS 563 3HZ LYS 563 -1.891 -10.650 6.412 92 H SER 564 H SER 564 -4.303 -3.699 9.190 93 HA SER 564 HA SER 564 -2.994 -1.472 7.912 94 HB2 SER 564 1HB SER 564 -2.521 -0.762 10.276 95 HB3 SER 564 2HB SER 564 -4.231 -1.013 9.926 96 HG SER 564 HG SER 564 -3.087 -2.015 11.913 97 H TYR 565 H TYR 565 -0.783 -0.804 8.609 98 HA TYR 565 HA TYR 565 0.999 -3.038 9.234 99 HB2 TYR 565 1HB TYR 565 0.936 -2.983 6.798 100 HB3 TYR 565 2HB TYR 565 1.307 -1.262 6.803 101 HD1 TYR 565 1HD TYR 565 2.705 -4.514 7.994 102 HD2 TYR 565 2HD TYR 565 3.509 -0.592 6.552 103 HE1 TYR 565 1HE TYR 565 5.107 -5.037 7.926 104 HE2 TYR 565 2HE TYR 565 5.913 -1.106 6.478 105 HH TYR 565 HH TYR 565 7.165 -4.208 7.636 106 H GLN 566 H GLN 566 2.947 -2.441 10.185 107 HA GLN 566 HA GLN 566 3.091 0.377 11.020 108 HB2 GLN 566 1HB GLN 566 2.698 -1.218 12.854 109 HB3 GLN 566 2HB GLN 566 4.171 -2.075 12.420 110 HG2 GLN 566 1HG GLN 566 5.411 0.072 12.852 111 HG3 GLN 566 2HG GLN 566 3.913 0.701 13.537 112 HE21 GLN 566 1HE2 GLN 566 4.882 -0.483 16.632 113 HE22 GLN 566 2HE2 GLN 566 4.353 0.830 15.643 114 H ALA 567 H ALA 567 4.580 1.460 9.916 115 HA ALA 567 HA ALA 567 6.595 0.438 8.338 116 HB1 ALA 567 1HB ALA 567 6.020 3.065 9.548 117 HB2 ALA 567 2HB ALA 567 7.683 2.803 9.018 118 HB3 ALA 567 3HB ALA 567 6.355 2.632 7.870 119 H GLN 568 H GLN 568 8.653 -0.237 8.629 120 HA GLN 568 HA GLN 568 9.724 -0.170 11.373 121 HB2 GLN 568 1HB GLN 568 10.214 -2.376 9.373 122 HB3 GLN 568 2HB GLN 568 10.653 -2.359 11.076 123 HG2 GLN 568 1HG GLN 568 8.076 -2.104 11.430 124 HG3 GLN 568 2HG GLN 568 7.995 -2.785 9.806 125 HE21 GLN 568 1HE2 GLN 568 9.001 -5.074 12.997 126 HE22 GLN 568 2HE2 GLN 568 8.834 -3.358 13.121 127 H ALA 569 H ALA 569 10.433 -0.104 7.929 128 HA ALA 569 HA ALA 569 13.248 0.408 8.361 129 HB1 ALA 569 1HB ALA 569 12.018 -0.807 6.353 130 HB2 ALA 569 2HB ALA 569 11.996 0.834 5.702 131 HB3 ALA 569 3HB ALA 569 13.531 0.073 6.125 132 H GLU 570 H GLU 570 13.968 2.297 6.616 133 HA GLU 570 HA GLU 570 13.041 4.717 7.901 134 HB2 GLU 570 1HB GLU 570 14.967 5.704 7.152 135 HB3 GLU 570 2HB GLU 570 15.482 4.023 7.150 136 HG2 GLU 570 1HG GLU 570 14.902 3.912 4.738 137 HG3 GLU 570 2HG GLU 570 14.567 5.642 4.786 138 H GLY 571 H GLY 571 12.743 3.126 4.802 139 HA2 GLY 571 1HA GLY 571 11.251 5.440 3.755 140 HA3 GLY 571 2HA GLY 571 11.961 4.167 2.775 141 H GLU 572 H GLU 572 10.279 3.266 5.651 142 HA GLU 572 HA GLU 572 8.111 2.180 3.988 143 HB2 GLU 572 1HB GLU 572 9.580 1.189 6.339 144 HB3 GLU 572 2HB GLU 572 7.842 0.929 6.397 145 HG2 GLU 572 1HG GLU 572 8.600 -1.001 5.405 146 HG3 GLU 572 2HG GLU 572 8.140 -0.019 4.014 147 H ILE 573 H ILE 573 5.952 2.369 4.649 148 HA ILE 573 HA ILE 573 5.460 4.428 6.700 149 HB ILE 573 HB ILE 573 3.425 5.046 5.367 150 HG12 ILE 573 1HG1 ILE 573 4.700 3.829 2.962 151 HG13 ILE 573 2HG1 ILE 573 3.757 2.778 4.014 152 HG21 ILE 573 1HG2 ILE 573 4.776 6.263 3.584 153 HG22 ILE 573 2HG2 ILE 573 5.227 6.545 5.264 154 HG23 ILE 573 3HG2 ILE 573 6.187 5.454 4.266 155 HD11 ILE 573 1HD1 ILE 573 2.205 5.078 3.600 156 HD12 ILE 573 2HD1 ILE 573 2.864 4.620 2.027 157 HD13 ILE 573 3HD1 ILE 573 1.934 3.454 2.969 158 H SER 574 H SER 574 3.027 4.383 7.344 159 HA SER 574 HA SER 574 2.455 1.636 8.159 160 HB2 SER 574 1HB SER 574 1.292 2.511 9.970 161 HB3 SER 574 2HB SER 574 2.528 3.744 9.720 162 HG SER 574 HG SER 574 0.416 4.630 9.956 163 H LEU 575 H LEU 575 0.023 1.141 8.368 164 HA LEU 575 HA LEU 575 -1.472 2.178 6.067 165 HB2 LEU 575 1HB LEU 575 -0.528 -0.567 6.514 166 HB3 LEU 575 2HB LEU 575 -2.229 -0.430 6.075 167 HG LEU 575 HG LEU 575 -1.300 1.044 4.122 168 HD11 LEU 575 1HD1 LEU 575 1.087 -0.703 4.682 169 HD12 LEU 575 2HD1 LEU 575 1.017 1.023 5.034 170 HD13 LEU 575 3HD1 LEU 575 0.889 0.457 3.369 171 HD21 LEU 575 1HD2 LEU 575 -1.834 -1.762 4.458 172 HD22 LEU 575 2HD2 LEU 575 -0.611 -1.510 3.213 173 HD23 LEU 575 3HD2 LEU 575 -2.179 -0.712 3.085 174 H SER 576 H SER 576 -3.804 1.298 6.145 175 HA SER 576 HA SER 576 -4.755 0.904 8.881 176 HB2 SER 576 1HB SER 576 -5.228 3.311 7.207 177 HB3 SER 576 2HB SER 576 -6.621 2.674 8.081 178 HG SER 576 HG SER 576 -4.532 4.086 9.019 179 H LYS 577 H LYS 577 -6.147 -0.719 8.901 180 HA LYS 577 HA LYS 577 -7.038 -2.103 6.681 181 HB2 LYS 577 1HB LYS 577 -7.083 -2.682 9.244 182 HB3 LYS 577 2HB LYS 577 -8.719 -2.042 9.158 183 HG2 LYS 577 1HG LYS 577 -7.894 -4.078 7.156 184 HG3 LYS 577 2HG LYS 577 -8.215 -4.601 8.811 185 HD2 LYS 577 1HD LYS 577 -10.369 -3.044 8.396 186 HD3 LYS 577 2HD LYS 577 -10.067 -3.584 6.743 187 HE2 LYS 577 1HE LYS 577 -11.579 -5.133 7.739 188 HE3 LYS 577 2HE LYS 577 -10.011 -5.931 7.610 189 HZ1 LYS 577 1HZ LYS 577 -10.031 -4.697 10.075 190 HZ2 LYS 577 2HZ LYS 577 -10.170 -6.354 9.766 191 HZ3 LYS 577 3HZ LYS 577 -11.562 -5.404 9.926 192 H GLY 578 H GLY 578 -8.494 -1.684 5.158 193 HA2 GLY 578 1HA GLY 578 -10.607 -1.064 4.334 194 HA3 GLY 578 2HA GLY 578 -10.900 -0.174 5.821 195 H GLU 579 H GLU 579 -7.925 0.779 5.078 196 HA GLU 579 HA GLU 579 -8.850 3.263 3.935 197 HB2 GLU 579 1HB GLU 579 -6.953 2.795 5.730 198 HB3 GLU 579 2HB GLU 579 -5.949 2.674 4.291 199 HG2 GLU 579 1HG GLU 579 -5.932 4.919 5.284 200 HG3 GLU 579 2HG GLU 579 -6.540 4.909 3.630 201 H LYS 580 H LYS 580 -8.557 3.989 1.898 202 HA LYS 580 HA LYS 580 -7.844 2.074 -0.124 203 HB2 LYS 580 1HB LYS 580 -9.655 3.942 -0.207 204 HB3 LYS 580 2HB LYS 580 -8.316 4.990 -0.657 205 HG2 LYS 580 1HG LYS 580 -9.342 4.276 -2.665 206 HG3 LYS 580 2HG LYS 580 -7.822 3.390 -2.526 207 HD2 LYS 580 1HD LYS 580 -9.505 1.847 -3.230 208 HD3 LYS 580 2HD LYS 580 -9.118 1.486 -1.546 209 HE2 LYS 580 1HE LYS 580 -11.307 1.606 -1.142 210 HE3 LYS 580 2HE LYS 580 -11.164 3.346 -1.382 211 HZ1 LYS 580 1HZ LYS 580 -12.843 1.890 -2.764 212 HZ2 LYS 580 2HZ LYS 580 -11.490 1.674 -3.756 213 HZ3 LYS 580 3HZ LYS 580 -12.069 3.232 -3.445 214 H ILE 581 H ILE 581 -5.742 1.616 -0.360 215 HA ILE 581 HA ILE 581 -3.744 3.726 -0.125 216 HB ILE 581 HB ILE 581 -3.061 0.908 -0.857 217 HG12 ILE 581 1HG1 ILE 581 -4.649 0.627 0.955 218 HG13 ILE 581 2HG1 ILE 581 -3.023 0.336 1.563 219 HG21 ILE 581 1HG2 ILE 581 -1.186 1.525 0.812 220 HG22 ILE 581 2HG2 ILE 581 -1.172 2.250 -0.795 221 HG23 ILE 581 3HG2 ILE 581 -1.754 3.180 0.587 222 HD11 ILE 581 1HD1 ILE 581 -2.977 2.506 2.595 223 HD12 ILE 581 2HD1 ILE 581 -4.541 2.911 1.890 224 HD13 ILE 581 3HD1 ILE 581 -4.424 1.640 3.106 225 H LYS 582 H LYS 582 -3.007 4.805 -1.820 226 HA LYS 582 HA LYS 582 -3.546 3.777 -4.507 227 HB2 LYS 582 1HB LYS 582 -4.351 6.000 -4.185 228 HB3 LYS 582 2HB LYS 582 -2.828 6.519 -3.476 229 HG2 LYS 582 1HG LYS 582 -3.099 7.357 -5.748 230 HG3 LYS 582 2HG LYS 582 -1.717 6.268 -5.618 231 HD2 LYS 582 1HD LYS 582 -2.992 4.465 -6.597 232 HD3 LYS 582 2HD LYS 582 -4.450 5.461 -6.611 233 HE2 LYS 582 1HE LYS 582 -1.929 5.877 -8.211 234 HE3 LYS 582 2HE LYS 582 -3.523 5.433 -8.823 235 HZ1 LYS 582 1HZ LYS 582 -2.521 8.033 -7.958 236 HZ2 LYS 582 2HZ LYS 582 -4.139 7.685 -7.611 237 HZ3 LYS 582 3HZ LYS 582 -3.592 7.648 -9.211 238 H VAL 583 H VAL 583 -1.938 2.405 -5.062 239 HA VAL 583 HA VAL 583 0.747 2.588 -4.300 240 HB VAL 583 HB VAL 583 -0.392 1.302 -6.785 241 HG11 VAL 583 1HG1 VAL 583 1.617 -0.003 -6.875 242 HG12 VAL 583 2HG1 VAL 583 2.063 1.704 -6.837 243 HG13 VAL 583 3HG1 VAL 583 2.209 0.720 -5.379 244 HG21 VAL 583 1HG2 VAL 583 0.397 -0.349 -4.486 245 HG22 VAL 583 2HG2 VAL 583 -1.015 0.674 -4.222 246 HG23 VAL 583 3HG2 VAL 583 -1.001 -0.483 -5.554 247 H LEU 584 H LEU 584 2.529 3.535 -5.178 248 HA LEU 584 HA LEU 584 2.075 5.332 -7.469 249 HB2 LEU 584 1HB LEU 584 3.883 5.680 -5.086 250 HB3 LEU 584 2HB LEU 584 3.890 6.735 -6.499 251 HG LEU 584 HG LEU 584 1.652 6.382 -4.506 252 HD11 LEU 584 1HD1 LEU 584 3.083 8.924 -5.178 253 HD12 LEU 584 2HD1 LEU 584 3.747 7.799 -3.992 254 HD13 LEU 584 3HD1 LEU 584 2.153 8.511 -3.737 255 HD21 LEU 584 1HD2 LEU 584 1.772 7.941 -7.082 256 HD22 LEU 584 2HD2 LEU 584 0.566 8.213 -5.821 257 HD23 LEU 584 3HD2 LEU 584 0.642 6.657 -6.649 258 H SER 585 H SER 585 4.444 3.285 -5.812 259 HA SER 585 HA SER 585 5.774 2.873 -8.403 260 HB2 SER 585 1HB SER 585 6.902 4.083 -6.044 261 HB3 SER 585 2HB SER 585 7.748 2.579 -6.408 262 HG SER 585 HG SER 585 8.727 4.197 -7.571 263 H ILE 586 H ILE 586 7.291 0.912 -8.260 264 HA ILE 586 HA ILE 586 6.314 -1.143 -6.428 265 HB ILE 586 HB ILE 586 6.119 -2.764 -8.340 266 HG12 ILE 586 1HG1 ILE 586 5.801 -0.338 -10.092 267 HG13 ILE 586 2HG1 ILE 586 7.365 -1.125 -9.906 268 HG21 ILE 586 1HG2 ILE 586 3.871 -2.357 -8.586 269 HG22 ILE 586 2HG2 ILE 586 4.234 -1.387 -7.159 270 HG23 ILE 586 3HG2 ILE 586 4.092 -0.613 -8.737 271 HD11 ILE 586 1HD1 ILE 586 6.658 -2.253 -11.721 272 HD12 ILE 586 2HD1 ILE 586 5.870 -3.258 -10.505 273 HD13 ILE 586 3HD1 ILE 586 4.953 -2.009 -11.347 274 H GLY 587 H GLY 587 7.706 -2.969 -6.237 275 HA2 GLY 587 1HA GLY 587 10.375 -2.597 -7.442 276 HA3 GLY 587 2HA GLY 587 10.193 -2.921 -5.724 277 H GLU 588 H GLU 588 9.827 -4.989 -5.021 278 HA GLU 588 HA GLU 588 8.934 -7.131 -6.580 279 HB2 GLU 588 1HB GLU 588 10.920 -6.963 -7.890 280 HB3 GLU 588 2HB GLU 588 11.929 -6.804 -6.459 281 HG2 GLU 588 1HG GLU 588 11.550 -9.086 -5.855 282 HG3 GLU 588 2HG GLU 588 10.353 -9.274 -7.136 283 H GLY 589 H GLY 589 8.599 -8.938 -5.344 284 HA2 GLY 589 1HA GLY 589 8.967 -10.391 -3.520 285 HA3 GLY 589 2HA GLY 589 9.953 -9.151 -2.760 286 H GLY 590 H GLY 590 6.629 -9.055 -4.032 287 HA2 GLY 590 1HA GLY 590 4.657 -8.432 -3.036 288 HA3 GLY 590 2HA GLY 590 5.298 -9.175 -1.579 289 H PHE 591 H PHE 591 7.150 -6.623 -2.925 290 HA PHE 591 HA PHE 591 6.036 -4.744 -0.949 291 HB2 PHE 591 1HB PHE 591 8.582 -5.891 -0.891 292 HB3 PHE 591 2HB PHE 591 8.839 -4.269 -1.524 293 HD1 PHE 591 1HD PHE 591 7.490 -6.190 1.320 294 HD2 PHE 591 2HD PHE 591 8.676 -2.369 -0.131 295 HE1 PHE 591 1HE PHE 591 7.359 -5.287 3.605 296 HE2 PHE 591 2HE PHE 591 8.548 -1.459 2.152 297 HZ PHE 591 HZ PHE 591 7.891 -2.919 4.024 298 H TRP 592 H TRP 592 5.743 -2.665 -1.593 299 HA TRP 592 HA TRP 592 6.951 -1.630 -3.991 300 HB2 TRP 592 1HB TRP 592 4.822 -1.201 -5.165 301 HB3 TRP 592 2HB TRP 592 5.140 -2.923 -4.984 302 HD1 TRP 592 HD TRP 592 4.012 -1.963 -1.707 303 HE1 TRP 592 1HE TRP 592 1.488 -2.364 -1.397 304 HE3 TRP 592 3HE TRP 592 2.673 -2.541 -6.608 305 HZ2 TRP 592 2HZ TRP 592 -0.770 -2.862 -3.015 306 HZ3 TRP 592 3HZ TRP 592 0.312 -2.978 -7.140 307 HH2 TRP 592 HH TRP 592 -1.373 -3.135 -5.380 308 H GLU 593 H GLU 593 6.018 0.616 -4.483 309 HA GLU 593 HA GLU 593 5.755 2.014 -1.930 310 HB2 GLU 593 1HB GLU 593 7.118 2.555 -4.366 311 HB3 GLU 593 2HB GLU 593 5.912 3.815 -4.140 312 HG2 GLU 593 1HG GLU 593 7.229 3.364 -1.659 313 HG3 GLU 593 2HG GLU 593 8.445 3.563 -2.920 314 H GLY 594 H GLY 594 4.055 3.338 -1.410 315 HA2 GLY 594 1HA GLY 594 1.973 3.903 -3.343 316 HA3 GLY 594 2HA GLY 594 1.507 2.768 -2.083 317 H GLN 595 H GLN 595 -0.056 4.758 -1.973 318 HA GLN 595 HA GLN 595 0.987 6.501 0.155 319 HB2 GLN 595 1HB GLN 595 0.874 7.937 -1.726 320 HB3 GLN 595 2HB GLN 595 -0.670 7.270 -2.240 321 HG2 GLN 595 1HG GLN 595 -1.852 8.413 -0.600 322 HG3 GLN 595 2HG GLN 595 -0.411 8.696 0.375 323 HE21 GLN 595 1HE2 GLN 595 -0.887 11.952 -0.949 324 HE22 GLN 595 2HE2 GLN 595 -1.339 10.903 0.347 325 H VAL 596 H VAL 596 -0.342 6.844 1.876 326 HA VAL 596 HA VAL 596 -3.075 5.775 1.749 327 HB VAL 596 HB VAL 596 -1.720 4.018 2.758 328 HG11 VAL 596 1HG1 VAL 596 -0.003 4.429 4.108 329 HG12 VAL 596 2HG1 VAL 596 -0.298 6.153 3.882 330 HG13 VAL 596 3HG1 VAL 596 -1.037 5.301 5.238 331 HG21 VAL 596 1HG2 VAL 596 -3.019 5.030 5.189 332 HG22 VAL 596 2HG2 VAL 596 -4.041 5.027 3.753 333 HG23 VAL 596 3HG2 VAL 596 -3.283 3.531 4.300 334 H LYS 597 H LYS 597 -4.397 7.384 2.242 335 HA LYS 597 HA LYS 597 -5.082 9.448 3.008 336 HB2 LYS 597 1HB LYS 597 -5.114 9.456 5.563 337 HB3 LYS 597 2HB LYS 597 -5.935 8.124 4.759 338 HG2 LYS 597 1HG LYS 597 -4.787 7.049 6.437 339 HG3 LYS 597 2HG LYS 597 -3.682 6.879 5.070 340 HD2 LYS 597 1HD LYS 597 -2.451 7.533 7.052 341 HD3 LYS 597 2HD LYS 597 -2.428 8.844 5.871 342 HE2 LYS 597 1HE LYS 597 -3.136 10.174 7.513 343 HE3 LYS 597 2HE LYS 597 -4.688 9.350 7.386 344 HZ1 LYS 597 1HZ LYS 597 -3.371 7.660 8.950 345 HZ2 LYS 597 2HZ LYS 597 -4.296 8.940 9.550 346 HZ3 LYS 597 3HZ LYS 597 -2.620 9.105 9.410 347 H GLY 598 H GLY 598 -2.382 9.550 2.109 348 HA2 GLY 598 1HA GLY 598 -1.170 11.675 2.195 349 HA3 GLY 598 2HA GLY 598 -1.337 11.618 3.942 350 H ARG 599 H ARG 599 -0.552 9.139 4.622 351 HA ARG 599 HA ARG 599 2.231 9.287 4.578 352 HB2 ARG 599 1HB ARG 599 0.223 7.289 5.429 353 HB3 ARG 599 2HB ARG 599 1.836 6.663 5.113 354 HG2 ARG 599 1HG ARG 599 2.426 8.825 6.625 355 HG3 ARG 599 2HG ARG 599 0.860 8.363 7.296 356 HD2 ARG 599 1HD ARG 599 1.622 6.240 7.916 357 HD3 ARG 599 2HD ARG 599 3.029 6.339 6.856 358 HE ARG 599 HE ARG 599 2.853 7.255 9.544 359 HH11 ARG 599 1HH1 ARG 599 5.686 8.750 7.143 360 HH12 ARG 599 2HH1 ARG 599 4.316 7.939 6.461 361 HH21 ARG 599 1HH2 ARG 599 5.877 8.965 9.417 362 HH22 ARG 599 2HH2 ARG 599 4.652 8.320 10.456 363 H VAL 600 H VAL 600 3.372 9.247 2.740 364 HA VAL 600 HA VAL 600 2.788 7.118 0.787 365 HB VAL 600 HB VAL 600 4.307 9.670 0.250 366 HG11 VAL 600 1HG1 VAL 600 4.758 7.741 -1.238 367 HG12 VAL 600 2HG1 VAL 600 3.043 7.700 -1.651 368 HG13 VAL 600 3HG1 VAL 600 4.019 9.107 -2.073 369 HG21 VAL 600 1HG2 VAL 600 1.482 9.265 0.570 370 HG22 VAL 600 2HG2 VAL 600 2.366 10.754 0.238 371 HG23 VAL 600 3HG2 VAL 600 1.846 9.721 -1.093 372 H GLY 601 H GLY 601 4.180 5.487 0.816 373 HA2 GLY 601 1HA GLY 601 6.999 5.888 0.705 374 HA3 GLY 601 2HA GLY 601 6.509 5.327 2.297 375 H TRP 602 H TRP 602 7.601 3.369 2.087 376 HA TRP 602 HA TRP 602 6.631 1.556 -0.012 377 HB2 TRP 602 1HB TRP 602 9.059 1.349 1.781 378 HB3 TRP 602 2HB TRP 602 8.596 0.159 0.569 379 HD1 TRP 602 HD TRP 602 9.098 4.020 0.441 380 HE1 TRP 602 1HE TRP 602 10.533 4.551 -1.629 381 HE3 TRP 602 3HE TRP 602 9.805 -0.735 -1.300 382 HZ2 TRP 602 2HZ TRP 602 11.797 3.141 -3.723 383 HZ3 TRP 602 3HZ TRP 602 11.140 -1.056 -3.343 384 HH2 TRP 602 HH TRP 602 12.113 0.843 -4.528 385 H PHE 603 H PHE 603 5.962 -0.567 0.517 386 HA PHE 603 HA PHE 603 5.777 -1.569 3.139 387 HB2 PHE 603 1HB PHE 603 3.409 -1.300 3.598 388 HB3 PHE 603 2HB PHE 603 4.147 0.284 3.383 389 HD1 PHE 603 1HD PHE 603 3.568 1.686 1.527 390 HD2 PHE 603 2HD PHE 603 1.900 -2.211 1.915 391 HE1 PHE 603 1HE PHE 603 1.893 2.234 -0.191 392 HE2 PHE 603 2HE PHE 603 0.224 -1.669 0.199 393 HZ PHE 603 HZ PHE 603 0.220 0.556 -0.858 394 HA PRO 604 HA PRO 604 4.852 -5.246 0.929 395 HB2 PRO 604 1HB PRO 604 3.448 -6.662 2.770 396 HB3 PRO 604 2HB PRO 604 5.189 -6.384 2.895 397 HG2 PRO 604 1HG PRO 604 2.939 -4.957 4.260 398 HG3 PRO 604 2HG PRO 604 4.489 -5.499 4.928 399 HD2 PRO 604 1HD PRO 604 4.033 -2.929 4.209 400 HD3 PRO 604 2HD PRO 604 5.633 -3.687 4.080 401 H SER 605 H SER 605 3.412 -5.729 -0.603 402 HA SER 605 HA SER 605 0.858 -4.465 -0.687 403 HB2 SER 605 1HB SER 605 0.888 -5.027 -2.875 404 HB3 SER 605 2HB SER 605 2.554 -5.519 -2.573 405 HG SER 605 HG SER 605 1.826 -7.377 -3.264 406 H ASP 606 H ASP 606 1.941 -7.205 0.882 407 HA ASP 606 HA ASP 606 -0.121 -9.054 0.550 408 HB2 ASP 606 1HB ASP 606 1.862 -9.732 1.697 409 HB3 ASP 606 2HB ASP 606 1.666 -8.472 2.912 410 H CYS 607 H CYS 607 -0.004 -6.083 2.343 411 HA CYS 607 HA CYS 607 -2.467 -6.681 3.776 412 HB2 CYS 607 1HB CYS 607 -0.957 -4.069 3.778 413 HB3 CYS 607 2HB CYS 607 -2.099 -4.657 4.980 414 HG CYS 607 HG CYS 607 -0.076 -6.948 5.262 415 H LEU 608 H LEU 608 -1.809 -5.816 0.732 416 HA LEU 608 HA LEU 608 -4.078 -3.952 0.524 417 HB2 LEU 608 1HB LEU 608 -1.509 -4.178 -0.867 418 HB3 LEU 608 2HB LEU 608 -2.889 -3.916 -1.931 419 HG LEU 608 HG LEU 608 -1.600 -1.863 -1.161 420 HD11 LEU 608 1HD1 LEU 608 -4.462 -2.329 -1.354 421 HD12 LEU 608 2HD1 LEU 608 -3.474 -1.038 -2.039 422 HD13 LEU 608 3HD1 LEU 608 -4.065 -0.910 -0.383 423 HD21 LEU 608 1HD2 LEU 608 -1.720 -1.110 0.995 424 HD22 LEU 608 2HD2 LEU 608 -1.690 -2.851 1.282 425 HD23 LEU 608 3HD2 LEU 608 -3.220 -1.974 1.332 426 H GLU 609 H GLU 609 -5.606 -4.257 -1.172 427 HA GLU 609 HA GLU 609 -5.567 -6.708 -2.696 428 HB2 GLU 609 1HB GLU 609 -7.271 -6.364 -0.284 429 HB3 GLU 609 2HB GLU 609 -8.016 -7.107 -1.692 430 HG2 GLU 609 1HG GLU 609 -5.568 -8.065 -0.229 431 HG3 GLU 609 2HG GLU 609 -7.164 -8.815 -0.240 432 H GLU 610 H GLU 610 -6.989 -6.692 -4.433 433 HA GLU 610 HA GLU 610 -7.809 -4.117 -5.328 434 HB2 GLU 610 1HB GLU 610 -7.060 -5.730 -6.946 435 HB3 GLU 610 2HB GLU 610 -8.281 -6.887 -6.435 436 HG2 GLU 610 1HG GLU 610 -9.204 -4.249 -7.423 437 HG3 GLU 610 2HG GLU 610 -8.566 -5.398 -8.598 438 H VAL 611 H VAL 611 -9.902 -3.352 -5.750 439 HA VAL 611 HA VAL 611 -12.093 -4.792 -4.415 440 HB VAL 611 HB VAL 611 -12.975 -2.506 -3.726 441 HG11 VAL 611 1HG1 VAL 611 -11.609 -2.451 -1.687 442 HG12 VAL 611 2HG1 VAL 611 -12.078 -4.097 -2.122 443 HG13 VAL 611 3HG1 VAL 611 -10.440 -3.529 -2.450 444 HG21 VAL 611 1HG2 VAL 611 -11.254 -0.758 -3.407 445 HG22 VAL 611 2HG2 VAL 611 -10.115 -1.748 -4.320 446 HG23 VAL 611 3HG2 VAL 611 -11.561 -1.116 -5.107 447 H ALA 612 H ALA 612 -11.143 -2.325 -6.757 448 HA ALA 612 HA ALA 612 -13.797 -2.419 -7.984 449 HB1 ALA 612 1HB ALA 612 -11.741 -0.429 -7.757 450 HB2 ALA 612 2HB ALA 612 -12.144 -0.694 -9.454 451 HB3 ALA 612 3HB ALA 612 -13.409 -0.256 -8.305 452 H ASN 613 H ASN 613 -14.040 -4.133 -9.286 453 HA ASN 613 HA ASN 613 -11.909 -5.352 -10.720 454 HB2 ASN 613 1HB ASN 613 -13.802 -6.694 -10.074 455 HB3 ASN 613 2HB ASN 613 -14.910 -5.640 -10.945 456 HD21 ASN 613 1HD2 ASN 613 -12.517 -8.211 -13.049 457 HD22 ASN 613 2HD2 ASN 613 -12.008 -7.596 -11.517 Start of MODEL 12 1 H1 MET 553 H MET 553 3.832 2.174 -16.230 2 HA MET 553 HA MET 553 5.485 -0.008 -15.138 3 HB2 MET 553 1HB MET 553 6.813 2.015 -15.404 4 HB3 MET 553 2HB MET 553 5.616 2.948 -14.516 5 HG2 MET 553 1HG MET 553 6.228 2.065 -12.488 6 HG3 MET 553 2HG MET 553 6.894 0.600 -13.206 7 HE1 MET 553 1HE MET 553 9.811 0.662 -12.335 8 HE2 MET 553 2HE MET 553 9.801 2.094 -11.306 9 HE3 MET 553 3HE MET 553 8.413 1.006 -11.316 10 H VAL 554 H VAL 554 3.741 2.790 -13.780 11 HA VAL 554 HA VAL 554 2.682 1.055 -11.681 12 HB VAL 554 HB VAL 554 3.693 3.143 -10.951 13 HG11 VAL 554 1HG1 VAL 554 2.364 4.211 -13.212 14 HG12 VAL 554 2HG1 VAL 554 1.747 5.045 -11.784 15 HG13 VAL 554 3HG1 VAL 554 3.479 5.020 -12.114 16 HG21 VAL 554 1HG2 VAL 554 1.771 4.064 -9.661 17 HG22 VAL 554 2HG2 VAL 554 0.696 3.049 -10.624 18 HG23 VAL 554 3HG2 VAL 554 1.908 2.307 -9.581 19 HA PRO 555 HA PRO 555 -1.248 0.736 -13.688 20 HB2 PRO 555 1HB PRO 555 -2.643 -0.226 -11.568 21 HB3 PRO 555 2HB PRO 555 -1.512 -1.212 -12.501 22 HG2 PRO 555 1HG PRO 555 -1.101 0.174 -9.880 23 HG3 PRO 555 2HG PRO 555 -0.604 -1.455 -10.373 24 HD2 PRO 555 1HD PRO 555 1.109 0.644 -10.336 25 HD3 PRO 555 2HD PRO 555 1.247 -0.681 -11.511 26 H GLY 556 H GLY 556 -3.500 1.490 -13.380 27 HA2 GLY 556 1HA GLY 556 -3.529 4.038 -11.886 28 HA3 GLY 556 2HA GLY 556 -4.425 3.747 -13.370 29 H ARG 557 H ARG 557 -4.289 1.293 -10.920 30 HA ARG 557 HA ARG 557 -7.103 1.867 -10.258 31 HB2 ARG 557 1HB ARG 557 -7.164 -0.638 -9.707 32 HB3 ARG 557 2HB ARG 557 -7.122 -0.178 -11.404 33 HG2 ARG 557 1HG ARG 557 -5.028 -1.002 -11.722 34 HG3 ARG 557 2HG ARG 557 -4.533 -0.692 -10.056 35 HD2 ARG 557 1HD ARG 557 -4.682 -3.064 -10.382 36 HD3 ARG 557 2HD ARG 557 -6.003 -2.555 -9.330 37 HE ARG 557 HE ARG 557 -7.470 -3.302 -10.905 38 HH11 ARG 557 1HH1 ARG 557 -4.871 -3.444 -13.947 39 HH12 ARG 557 2HH1 ARG 557 -4.378 -2.789 -12.421 40 HH21 ARG 557 1HH2 ARG 557 -7.007 -4.227 -14.225 41 HH22 ARG 557 2HH2 ARG 557 -8.132 -4.168 -12.910 42 H SER 558 H SER 558 -7.507 2.401 -8.221 43 HA SER 558 HA SER 558 -5.429 2.311 -6.240 44 HB2 SER 558 1HB SER 558 -7.522 3.110 -4.796 45 HB3 SER 558 2HB SER 558 -6.694 4.201 -5.907 46 HG SER 558 HG SER 558 -9.164 3.830 -5.966 47 H PHE 559 H PHE 559 -5.110 0.846 -4.686 48 HA PHE 559 HA PHE 559 -6.975 -1.406 -4.529 49 HB2 PHE 559 1HB PHE 559 -4.089 -1.087 -3.710 50 HB3 PHE 559 2HB PHE 559 -5.052 -2.490 -3.259 51 HD1 PHE 559 1HD PHE 559 -4.227 -0.506 -6.313 52 HD2 PHE 559 2HD PHE 559 -4.888 -4.344 -4.595 53 HE1 PHE 559 1HE PHE 559 -3.685 -1.561 -8.469 54 HE2 PHE 559 2HE PHE 559 -4.347 -5.405 -6.746 55 HZ PHE 559 HZ PHE 559 -3.744 -4.013 -8.687 56 H MET 560 H MET 560 -7.395 -2.363 -2.394 57 HA MET 560 HA MET 560 -7.598 -0.273 -0.328 58 HB2 MET 560 1HB MET 560 -9.770 -1.023 -1.199 59 HB3 MET 560 2HB MET 560 -9.372 -2.683 -0.773 60 HG2 MET 560 1HG MET 560 -9.045 -1.590 1.619 61 HG3 MET 560 2HG MET 560 -10.180 -0.417 0.953 62 HE1 MET 560 1HE MET 560 -10.678 -3.655 3.287 63 HE2 MET 560 2HE MET 560 -10.623 -4.766 1.920 64 HE3 MET 560 3HE MET 560 -9.294 -3.639 2.195 65 H ALA 561 H ALA 561 -6.846 -0.667 1.691 66 HA ALA 561 HA ALA 561 -5.129 -2.960 2.044 67 HB1 ALA 561 1HB ALA 561 -4.011 -1.438 3.213 68 HB2 ALA 561 2HB ALA 561 -5.391 -0.337 3.206 69 HB3 ALA 561 3HB ALA 561 -5.251 -1.570 4.460 70 H VAL 562 H VAL 562 -5.686 -4.815 2.969 71 HA VAL 562 HA VAL 562 -8.280 -5.045 4.267 72 HB VAL 562 HB VAL 562 -7.862 -7.468 4.240 73 HG11 VAL 562 1HG1 VAL 562 -7.591 -5.880 1.718 74 HG12 VAL 562 2HG1 VAL 562 -7.593 -7.644 1.668 75 HG13 VAL 562 3HG1 VAL 562 -8.980 -6.778 2.330 76 HG21 VAL 562 1HG2 VAL 562 -5.705 -8.072 4.356 77 HG22 VAL 562 2HG2 VAL 562 -5.715 -7.883 2.602 78 HG23 VAL 562 3HG2 VAL 562 -5.145 -6.567 3.627 79 H LYS 563 H LYS 563 -5.116 -4.461 5.191 80 HA LYS 563 HA LYS 563 -5.768 -4.850 7.975 81 HB2 LYS 563 1HB LYS 563 -3.491 -6.125 8.237 82 HB3 LYS 563 2HB LYS 563 -4.957 -7.005 7.823 83 HG2 LYS 563 1HG LYS 563 -4.257 -7.464 5.712 84 HG3 LYS 563 2HG LYS 563 -3.298 -5.988 5.589 85 HD2 LYS 563 1HD LYS 563 -1.820 -7.893 5.660 86 HD3 LYS 563 2HD LYS 563 -1.657 -6.975 7.160 87 HE2 LYS 563 1HE LYS 563 -1.724 -9.308 7.703 88 HE3 LYS 563 2HE LYS 563 -3.233 -8.569 8.236 89 HZ1 LYS 563 1HZ LYS 563 -3.098 -10.806 6.789 90 HZ2 LYS 563 2HZ LYS 563 -3.268 -9.663 5.553 91 HZ3 LYS 563 3HZ LYS 563 -4.429 -9.761 6.779 92 H SER 564 H SER 564 -4.441 -3.669 9.370 93 HA SER 564 HA SER 564 -3.104 -1.444 8.146 94 HB2 SER 564 1HB SER 564 -2.714 -0.716 10.501 95 HB3 SER 564 2HB SER 564 -4.407 -1.072 10.158 96 HG SER 564 HG SER 564 -4.343 -2.606 11.588 97 H TYR 565 H TYR 565 -0.919 -0.742 8.952 98 HA TYR 565 HA TYR 565 0.897 -2.897 9.659 99 HB2 TYR 565 1HB TYR 565 0.810 -3.044 7.216 100 HB3 TYR 565 2HB TYR 565 1.203 -1.335 7.085 101 HD1 TYR 565 1HD TYR 565 2.541 -4.556 8.393 102 HD2 TYR 565 2HD TYR 565 3.429 -0.662 6.925 103 HE1 TYR 565 1HE TYR 565 4.935 -5.117 8.371 104 HE2 TYR 565 2HE TYR 565 5.826 -1.214 6.897 105 HH TYR 565 HH TYR 565 7.371 -2.762 7.947 106 H GLN 566 H GLN 566 2.846 -2.188 10.535 107 HA GLN 566 HA GLN 566 2.968 0.702 11.084 108 HB2 GLN 566 1HB GLN 566 2.538 -0.842 13.036 109 HB3 GLN 566 2HB GLN 566 4.149 -1.497 12.779 110 HG2 GLN 566 1HG GLN 566 4.912 0.970 12.975 111 HG3 GLN 566 2HG GLN 566 3.342 1.210 13.741 112 HE21 GLN 566 1HE2 GLN 566 6.383 -0.550 15.716 113 HE22 GLN 566 2HE2 GLN 566 6.516 -0.028 14.075 114 H ALA 567 H ALA 567 4.505 1.676 9.954 115 HA ALA 567 HA ALA 567 6.516 0.519 8.485 116 HB1 ALA 567 1HB ALA 567 6.322 2.693 7.897 117 HB2 ALA 567 2HB ALA 567 6.022 3.228 9.550 118 HB3 ALA 567 3HB ALA 567 7.668 2.880 9.021 119 H GLN 568 H GLN 568 8.565 -0.174 8.834 120 HA GLN 568 HA GLN 568 9.589 -0.005 11.592 121 HB2 GLN 568 1HB GLN 568 10.115 -2.300 9.710 122 HB3 GLN 568 2HB GLN 568 10.452 -2.219 11.434 123 HG2 GLN 568 1HG GLN 568 7.963 -2.043 11.789 124 HG3 GLN 568 2HG GLN 568 7.781 -2.445 10.082 125 HE21 GLN 568 1HE2 GLN 568 8.285 -5.321 12.781 126 HE22 GLN 568 2HE2 GLN 568 7.953 -3.669 13.159 127 H ALA 569 H ALA 569 10.327 -0.017 8.163 128 HA ALA 569 HA ALA 569 13.157 0.412 8.605 129 HB1 ALA 569 1HB ALA 569 11.858 -0.771 6.593 130 HB2 ALA 569 2HB ALA 569 11.985 0.858 5.926 131 HB3 ALA 569 3HB ALA 569 13.441 -0.017 6.399 132 H GLU 570 H GLU 570 13.879 2.248 6.753 133 HA GLU 570 HA GLU 570 13.028 4.718 8.020 134 HB2 GLU 570 1HB GLU 570 14.989 5.640 7.283 135 HB3 GLU 570 2HB GLU 570 15.459 3.947 7.308 136 HG2 GLU 570 1HG GLU 570 14.897 3.818 4.890 137 HG3 GLU 570 2HG GLU 570 14.615 5.558 4.912 138 H GLY 571 H GLY 571 12.722 3.072 4.950 139 HA2 GLY 571 1HA GLY 571 11.275 5.400 3.859 140 HA3 GLY 571 2HA GLY 571 12.007 4.124 2.894 141 H GLU 572 H GLU 572 10.268 3.219 5.734 142 HA GLU 572 HA GLU 572 8.138 2.129 4.027 143 HB2 GLU 572 1HB GLU 572 9.541 1.159 6.433 144 HB3 GLU 572 2HB GLU 572 7.805 0.881 6.422 145 HG2 GLU 572 1HG GLU 572 8.617 -1.044 5.463 146 HG3 GLU 572 2HG GLU 572 8.213 -0.067 4.052 147 H ILE 573 H ILE 573 5.962 2.309 4.646 148 HA ILE 573 HA ILE 573 5.416 4.358 6.693 149 HB ILE 573 HB ILE 573 3.453 5.044 5.301 150 HG12 ILE 573 1HG1 ILE 573 4.669 3.968 2.845 151 HG13 ILE 573 2HG1 ILE 573 3.949 2.752 3.894 152 HG21 ILE 573 1HG2 ILE 573 6.232 5.375 4.193 153 HG22 ILE 573 2HG2 ILE 573 4.841 6.291 3.616 154 HG23 ILE 573 3HG2 ILE 573 5.367 6.451 5.292 155 HD11 ILE 573 1HD1 ILE 573 2.171 4.974 3.640 156 HD12 ILE 573 2HD1 ILE 573 2.663 4.409 2.043 157 HD13 ILE 573 3HD1 ILE 573 1.928 3.288 3.187 158 H SER 574 H SER 574 3.246 4.258 7.628 159 HA SER 574 HA SER 574 2.527 1.531 8.229 160 HB2 SER 574 1HB SER 574 1.642 4.215 9.256 161 HB3 SER 574 2HB SER 574 0.765 2.747 9.688 162 HG SER 574 HG SER 574 3.138 3.678 10.618 163 H LEU 575 H LEU 575 0.003 1.199 8.485 164 HA LEU 575 HA LEU 575 -1.406 2.222 6.132 165 HB2 LEU 575 1HB LEU 575 -0.552 -0.552 6.606 166 HB3 LEU 575 2HB LEU 575 -2.232 -0.359 6.113 167 HG LEU 575 HG LEU 575 -1.147 1.110 4.208 168 HD11 LEU 575 1HD1 LEU 575 1.015 0.587 3.592 169 HD12 LEU 575 2HD1 LEU 575 1.039 -0.899 4.541 170 HD13 LEU 575 3HD1 LEU 575 1.141 0.665 5.350 171 HD21 LEU 575 1HD2 LEU 575 -2.094 -0.538 3.068 172 HD22 LEU 575 2HD2 LEU 575 -2.000 -1.601 4.472 173 HD23 LEU 575 3HD2 LEU 575 -0.656 -1.526 3.331 174 H SER 576 H SER 576 -3.761 1.398 6.179 175 HA SER 576 HA SER 576 -4.751 1.063 8.911 176 HB2 SER 576 1HB SER 576 -5.179 3.425 7.167 177 HB3 SER 576 2HB SER 576 -6.592 2.822 8.033 178 HG SER 576 HG SER 576 -5.384 3.013 9.968 179 H LYS 577 H LYS 577 -6.148 -0.556 8.954 180 HA LYS 577 HA LYS 577 -7.023 -1.988 6.757 181 HB2 LYS 577 1HB LYS 577 -7.092 -2.513 9.329 182 HB3 LYS 577 2HB LYS 577 -8.722 -1.864 9.220 183 HG2 LYS 577 1HG LYS 577 -7.824 -4.001 7.336 184 HG3 LYS 577 2HG LYS 577 -8.347 -4.408 8.973 185 HD2 LYS 577 1HD LYS 577 -10.356 -2.772 8.217 186 HD3 LYS 577 2HD LYS 577 -9.910 -3.464 6.655 187 HE2 LYS 577 1HE LYS 577 -10.620 -5.540 7.223 188 HE3 LYS 577 2HE LYS 577 -10.151 -5.356 8.913 189 HZ1 LYS 577 1HZ LYS 577 -12.094 -3.923 9.231 190 HZ2 LYS 577 2HZ LYS 577 -12.533 -5.476 8.724 191 HZ3 LYS 577 3HZ LYS 577 -12.559 -4.189 7.626 192 H GLY 578 H GLY 578 -8.457 -1.588 5.207 193 HA2 GLY 578 1HA GLY 578 -10.565 -0.981 4.356 194 HA3 GLY 578 2HA GLY 578 -10.864 -0.052 5.818 195 H GLU 579 H GLU 579 -7.871 0.854 5.060 196 HA GLU 579 HA GLU 579 -8.771 3.323 3.865 197 HB2 GLU 579 1HB GLU 579 -6.878 2.881 5.665 198 HB3 GLU 579 2HB GLU 579 -5.876 2.698 4.232 199 HG2 GLU 579 1HG GLU 579 -5.819 4.971 5.154 200 HG3 GLU 579 2HG GLU 579 -6.427 4.921 3.501 201 H LYS 580 H LYS 580 -8.456 4.012 1.813 202 HA LYS 580 HA LYS 580 -7.773 2.041 -0.169 203 HB2 LYS 580 1HB LYS 580 -9.567 3.938 -0.275 204 HB3 LYS 580 2HB LYS 580 -8.216 4.942 -0.786 205 HG2 LYS 580 1HG LYS 580 -9.299 4.168 -2.744 206 HG3 LYS 580 2HG LYS 580 -7.781 3.279 -2.605 207 HD2 LYS 580 1HD LYS 580 -9.499 1.730 -3.223 208 HD3 LYS 580 2HD LYS 580 -9.057 1.414 -1.544 209 HE2 LYS 580 1HE LYS 580 -11.483 1.356 -1.870 210 HE3 LYS 580 2HE LYS 580 -11.002 2.654 -0.778 211 HZ1 LYS 580 1HZ LYS 580 -12.709 3.187 -2.568 212 HZ2 LYS 580 2HZ LYS 580 -11.419 3.144 -3.662 213 HZ3 LYS 580 3HZ LYS 580 -11.414 4.261 -2.392 214 H ILE 581 H ILE 581 -5.704 1.578 -0.537 215 HA ILE 581 HA ILE 581 -3.688 3.689 -0.335 216 HB ILE 581 HB ILE 581 -3.012 0.837 -0.924 217 HG12 ILE 581 1HG1 ILE 581 -4.578 0.644 0.910 218 HG13 ILE 581 2HG1 ILE 581 -2.949 0.406 1.530 219 HG21 ILE 581 1HG2 ILE 581 -1.686 3.214 0.280 220 HG22 ILE 581 2HG2 ILE 581 -1.159 1.607 0.775 221 HG23 ILE 581 3HG2 ILE 581 -1.085 2.075 -0.925 222 HD11 ILE 581 1HD1 ILE 581 -4.929 2.357 2.267 223 HD12 ILE 581 2HD1 ILE 581 -3.422 1.918 3.073 224 HD13 ILE 581 3HD1 ILE 581 -3.417 3.131 1.794 225 H LYS 582 H LYS 582 -2.559 4.451 -2.037 226 HA LYS 582 HA LYS 582 -3.195 3.324 -4.684 227 HB2 LYS 582 1HB LYS 582 -4.103 5.549 -4.472 228 HB3 LYS 582 2HB LYS 582 -2.567 6.168 -3.881 229 HG2 LYS 582 1HG LYS 582 -2.980 6.780 -6.214 230 HG3 LYS 582 2HG LYS 582 -1.542 5.774 -6.038 231 HD2 LYS 582 1HD LYS 582 -2.489 3.995 -7.106 232 HD3 LYS 582 2HD LYS 582 -4.121 4.406 -6.576 233 HE2 LYS 582 1HE LYS 582 -2.548 5.903 -8.670 234 HE3 LYS 582 2HE LYS 582 -3.788 4.695 -9.009 235 HZ1 LYS 582 1HZ LYS 582 -4.072 7.446 -8.147 236 HZ2 LYS 582 2HZ LYS 582 -5.103 6.349 -7.376 237 HZ3 LYS 582 3HZ LYS 582 -5.120 6.482 -9.062 238 H VAL 583 H VAL 583 -1.538 2.113 -5.342 239 HA VAL 583 HA VAL 583 1.144 2.483 -4.471 240 HB VAL 583 HB VAL 583 0.319 0.280 -5.136 241 HG11 VAL 583 1HG1 VAL 583 -0.243 -0.298 -7.361 242 HG12 VAL 583 2HG1 VAL 583 -1.128 1.185 -6.998 243 HG13 VAL 583 3HG1 VAL 583 0.333 1.247 -7.985 244 HG21 VAL 583 1HG2 VAL 583 2.542 0.041 -5.333 245 HG22 VAL 583 2HG2 VAL 583 2.223 0.025 -7.067 246 HG23 VAL 583 3HG2 VAL 583 2.717 1.521 -6.276 247 H LEU 584 H LEU 584 2.604 3.878 -5.187 248 HA LEU 584 HA LEU 584 2.162 5.172 -7.788 249 HB2 LEU 584 1HB LEU 584 3.991 6.093 -5.584 250 HB3 LEU 584 2HB LEU 584 3.457 7.005 -6.993 251 HG LEU 584 HG LEU 584 1.679 6.140 -4.715 252 HD11 LEU 584 1HD1 LEU 584 2.503 8.955 -5.309 253 HD12 LEU 584 2HD1 LEU 584 3.503 7.917 -4.293 254 HD13 LEU 584 3HD1 LEU 584 1.841 8.273 -3.824 255 HD21 LEU 584 1HD2 LEU 584 1.181 7.940 -7.084 256 HD22 LEU 584 2HD2 LEU 584 0.068 7.690 -5.740 257 HD23 LEU 584 3HD2 LEU 584 0.474 6.349 -6.811 258 H SER 585 H SER 585 4.318 3.148 -6.009 259 HA SER 585 HA SER 585 6.016 2.909 -8.379 260 HB2 SER 585 1HB SER 585 7.647 4.096 -7.373 261 HB3 SER 585 2HB SER 585 6.838 4.034 -5.807 262 HG SER 585 HG SER 585 8.873 2.500 -6.778 263 H ILE 586 H ILE 586 7.433 0.971 -8.268 264 HA ILE 586 HA ILE 586 6.491 -1.107 -6.439 265 HB ILE 586 HB ILE 586 6.306 -2.728 -8.322 266 HG12 ILE 586 1HG1 ILE 586 5.999 -0.436 -10.215 267 HG13 ILE 586 2HG1 ILE 586 7.624 -1.003 -9.842 268 HG21 ILE 586 1HG2 ILE 586 4.375 -0.463 -8.725 269 HG22 ILE 586 2HG2 ILE 586 4.078 -2.200 -8.823 270 HG23 ILE 586 3HG2 ILE 586 4.375 -1.443 -7.258 271 HD11 ILE 586 1HD1 ILE 586 7.402 -2.763 -11.168 272 HD12 ILE 586 2HD1 ILE 586 5.837 -3.186 -10.474 273 HD13 ILE 586 3HD1 ILE 586 5.934 -2.000 -11.775 274 H GLY 587 H GLY 587 7.855 -3.084 -6.548 275 HA2 GLY 587 1HA GLY 587 10.544 -2.605 -7.627 276 HA3 GLY 587 2HA GLY 587 10.376 -2.917 -5.906 277 H GLU 588 H GLU 588 10.485 -4.966 -5.248 278 HA GLU 588 HA GLU 588 9.983 -7.089 -7.227 279 HB2 GLU 588 1HB GLU 588 12.450 -6.596 -6.605 280 HB3 GLU 588 2HB GLU 588 12.058 -7.362 -5.072 281 HG2 GLU 588 1HG GLU 588 11.648 -9.432 -6.078 282 HG3 GLU 588 2HG GLU 588 11.529 -8.723 -7.687 283 H GLY 589 H GLY 589 9.579 -9.241 -6.190 284 HA2 GLY 589 1HA GLY 589 8.207 -10.520 -4.863 285 HA3 GLY 589 2HA GLY 589 8.941 -9.643 -3.529 286 H GLY 590 H GLY 590 7.030 -9.622 -2.326 287 HA2 GLY 590 1HA GLY 590 4.688 -8.320 -3.488 288 HA3 GLY 590 2HA GLY 590 4.767 -9.115 -1.922 289 H PHE 591 H PHE 591 6.938 -6.627 -3.186 290 HA PHE 591 HA PHE 591 5.932 -4.801 -1.104 291 HB2 PHE 591 1HB PHE 591 8.495 -5.961 -1.255 292 HB3 PHE 591 2HB PHE 591 8.694 -4.281 -1.742 293 HD1 PHE 591 1HD PHE 591 7.636 -6.518 0.972 294 HD2 PHE 591 2HD PHE 591 8.435 -2.499 -0.178 295 HE1 PHE 591 1HE PHE 591 7.594 -5.837 3.336 296 HE2 PHE 591 2HE PHE 591 8.396 -1.811 2.184 297 HZ PHE 591 HZ PHE 591 7.976 -3.481 3.944 298 H TRP 592 H TRP 592 5.667 -2.686 -1.658 299 HA TRP 592 HA TRP 592 6.783 -1.577 -4.059 300 HB2 TRP 592 1HB TRP 592 4.617 -1.110 -5.158 301 HB3 TRP 592 2HB TRP 592 4.956 -2.835 -5.059 302 HD1 TRP 592 HD TRP 592 3.907 -2.023 -1.715 303 HE1 TRP 592 1HE TRP 592 1.398 -2.468 -1.355 304 HE3 TRP 592 3HE TRP 592 2.444 -2.417 -6.597 305 HZ2 TRP 592 2HZ TRP 592 -0.899 -2.926 -2.932 306 HZ3 TRP 592 3HZ TRP 592 0.073 -2.858 -7.087 307 HH2 TRP 592 HH TRP 592 -1.561 -3.108 -5.290 308 H GLU 593 H GLU 593 5.840 0.682 -4.448 309 HA GLU 593 HA GLU 593 5.540 1.965 -1.828 310 HB2 GLU 593 1HB GLU 593 7.033 2.591 -4.186 311 HB3 GLU 593 2HB GLU 593 5.891 3.893 -3.881 312 HG2 GLU 593 1HG GLU 593 7.255 3.028 -1.471 313 HG3 GLU 593 2HG GLU 593 8.368 3.581 -2.722 314 H GLY 594 H GLY 594 3.846 3.302 -1.338 315 HA2 GLY 594 1HA GLY 594 1.898 4.005 -3.375 316 HA3 GLY 594 2HA GLY 594 1.331 2.875 -2.154 317 H GLN 595 H GLN 595 -0.207 4.794 -1.950 318 HA GLN 595 HA GLN 595 0.836 6.553 0.161 319 HB2 GLN 595 1HB GLN 595 0.725 7.974 -1.747 320 HB3 GLN 595 2HB GLN 595 -0.844 7.335 -2.217 321 HG2 GLN 595 1HG GLN 595 -0.705 8.592 0.443 322 HG3 GLN 595 2HG GLN 595 -0.502 9.666 -0.940 323 HE21 GLN 595 1HE2 GLN 595 -4.048 9.762 -0.360 324 HE22 GLN 595 2HE2 GLN 595 -2.568 10.386 0.278 325 H VAL 596 H VAL 596 -0.445 6.781 1.913 326 HA VAL 596 HA VAL 596 -3.199 5.762 1.765 327 HB VAL 596 HB VAL 596 -1.873 3.975 2.735 328 HG11 VAL 596 1HG1 VAL 596 -0.416 6.088 3.894 329 HG12 VAL 596 2HG1 VAL 596 -1.105 5.155 5.224 330 HG13 VAL 596 3HG1 VAL 596 -0.100 4.358 4.014 331 HG21 VAL 596 1HG2 VAL 596 -4.152 5.009 3.791 332 HG22 VAL 596 2HG2 VAL 596 -3.414 3.492 4.301 333 HG23 VAL 596 3HG2 VAL 596 -3.102 4.972 5.206 334 H LYS 597 H LYS 597 -4.508 7.375 2.289 335 HA LYS 597 HA LYS 597 -5.178 9.425 3.099 336 HB2 LYS 597 1HB LYS 597 -5.205 9.386 5.652 337 HB3 LYS 597 2HB LYS 597 -6.031 8.070 4.827 338 HG2 LYS 597 1HG LYS 597 -4.881 6.962 6.483 339 HG3 LYS 597 2HG LYS 597 -3.782 6.813 5.110 340 HD2 LYS 597 1HD LYS 597 -2.541 7.428 7.099 341 HD3 LYS 597 2HD LYS 597 -2.521 8.763 5.942 342 HE2 LYS 597 1HE LYS 597 -3.214 10.059 7.619 343 HE3 LYS 597 2HE LYS 597 -4.773 9.249 7.472 344 HZ1 LYS 597 1HZ LYS 597 -3.903 9.232 9.749 345 HZ2 LYS 597 2HZ LYS 597 -2.557 8.348 9.231 346 HZ3 LYS 597 3HZ LYS 597 -4.104 7.668 9.136 347 H GLY 598 H GLY 598 -2.472 9.518 2.200 348 HA2 GLY 598 1HA GLY 598 -1.247 11.634 2.318 349 HA3 GLY 598 2HA GLY 598 -1.413 11.548 4.066 350 H ARG 599 H ARG 599 -0.644 9.050 4.696 351 HA ARG 599 HA ARG 599 2.140 9.180 4.651 352 HB2 ARG 599 1HB ARG 599 0.122 7.172 5.462 353 HB3 ARG 599 2HB ARG 599 1.740 6.556 5.149 354 HG2 ARG 599 1HG ARG 599 2.317 8.691 6.699 355 HG3 ARG 599 2HG ARG 599 0.742 8.228 7.346 356 HD2 ARG 599 1HD ARG 599 1.485 6.110 7.975 357 HD3 ARG 599 2HD ARG 599 2.880 6.181 6.899 358 HE ARG 599 HE ARG 599 2.733 7.140 9.585 359 HH11 ARG 599 1HH1 ARG 599 5.664 8.394 7.165 360 HH12 ARG 599 2HH1 ARG 599 4.253 7.646 6.494 361 HH21 ARG 599 1HH2 ARG 599 5.854 8.663 9.431 362 HH22 ARG 599 2HH2 ARG 599 4.587 8.123 10.479 363 H VAL 600 H VAL 600 3.279 9.162 2.813 364 HA VAL 600 HA VAL 600 2.694 7.052 0.838 365 HB VAL 600 HB VAL 600 4.162 9.631 0.294 366 HG11 VAL 600 1HG1 VAL 600 2.894 7.644 -1.587 367 HG12 VAL 600 2HG1 VAL 600 3.820 9.078 -2.031 368 HG13 VAL 600 3HG1 VAL 600 4.616 7.730 -1.219 369 HG21 VAL 600 1HG2 VAL 600 1.340 9.168 0.641 370 HG22 VAL 600 2HG2 VAL 600 2.202 10.681 0.360 371 HG23 VAL 600 3HG2 VAL 600 1.692 9.690 -1.007 372 H GLY 601 H GLY 601 4.139 5.472 0.732 373 HA2 GLY 601 1HA GLY 601 6.932 5.904 0.597 374 HA3 GLY 601 2HA GLY 601 6.499 5.363 2.213 375 H TRP 602 H TRP 602 7.639 3.427 1.982 376 HA TRP 602 HA TRP 602 6.668 1.565 -0.067 377 HB2 TRP 602 1HB TRP 602 9.075 1.378 1.759 378 HB3 TRP 602 2HB TRP 602 8.637 0.199 0.526 379 HD1 TRP 602 HD TRP 602 9.253 4.045 0.537 380 HE1 TRP 602 1HE TRP 602 10.668 4.614 -1.536 381 HE3 TRP 602 3HE TRP 602 9.700 -0.643 -1.455 382 HZ2 TRP 602 2HZ TRP 602 11.822 3.258 -3.727 383 HZ3 TRP 602 3HZ TRP 602 10.975 -0.921 -3.541 384 HH2 TRP 602 HH TRP 602 12.013 0.990 -4.652 385 H PHE 603 H PHE 603 5.984 -0.540 0.479 386 HA PHE 603 HA PHE 603 5.797 -1.527 3.106 387 HB2 PHE 603 1HB PHE 603 3.439 -1.237 3.580 388 HB3 PHE 603 2HB PHE 603 4.174 0.343 3.330 389 HD1 PHE 603 1HD PHE 603 1.913 -2.179 1.932 390 HD2 PHE 603 2HD PHE 603 3.582 1.707 1.448 391 HE1 PHE 603 1HE PHE 603 0.222 -1.669 0.219 392 HE2 PHE 603 2HE PHE 603 1.892 2.223 -0.265 393 HZ PHE 603 HZ PHE 603 0.209 0.534 -0.881 394 HA PRO 604 HA PRO 604 4.866 -5.205 0.903 395 HB2 PRO 604 1HB PRO 604 3.499 -6.627 2.767 396 HB3 PRO 604 2HB PRO 604 5.240 -6.342 2.865 397 HG2 PRO 604 1HG PRO 604 3.006 -4.923 4.265 398 HG3 PRO 604 2HG PRO 604 4.569 -5.459 4.909 399 HD2 PRO 604 1HD PRO 604 4.091 -2.891 4.195 400 HD3 PRO 604 2HD PRO 604 5.692 -3.642 4.040 401 H SER 605 H SER 605 3.405 -5.689 -0.609 402 HA SER 605 HA SER 605 0.850 -4.435 -0.658 403 HB2 SER 605 1HB SER 605 0.814 -5.045 -2.840 404 HB3 SER 605 2HB SER 605 2.504 -5.469 -2.570 405 HG SER 605 HG SER 605 2.011 -7.535 -2.627 406 H ASP 606 H ASP 606 1.959 -7.172 0.905 407 HA ASP 606 HA ASP 606 -0.104 -9.023 0.627 408 HB2 ASP 606 1HB ASP 606 1.978 -9.564 1.774 409 HB3 ASP 606 2HB ASP 606 1.597 -8.420 3.057 410 H CYS 607 H CYS 607 0.080 -6.085 2.515 411 HA CYS 607 HA CYS 607 -2.369 -6.654 3.951 412 HB2 CYS 607 1HB CYS 607 -0.858 -4.042 3.858 413 HB3 CYS 607 2HB CYS 607 -2.009 -4.569 5.079 414 HG CYS 607 HG CYS 607 0.143 -4.914 6.545 415 H LEU 608 H LEU 608 -1.741 -5.764 0.878 416 HA LEU 608 HA LEU 608 -4.059 -3.964 0.688 417 HB2 LEU 608 1HB LEU 608 -1.515 -4.177 -0.750 418 HB3 LEU 608 2HB LEU 608 -2.919 -3.955 -1.793 419 HG LEU 608 HG LEU 608 -1.659 -1.867 -1.098 420 HD11 LEU 608 1HD1 LEU 608 -3.542 -0.940 -1.805 421 HD12 LEU 608 2HD1 LEU 608 -4.214 -1.099 -0.184 422 HD13 LEU 608 3HD1 LEU 608 -4.449 -2.387 -1.365 423 HD21 LEU 608 1HD2 LEU 608 -1.643 -1.122 1.041 424 HD22 LEU 608 2HD2 LEU 608 -1.717 -2.851 1.382 425 HD23 LEU 608 3HD2 LEU 608 -3.187 -1.877 1.435 426 H GLU 609 H GLU 609 -5.450 -4.247 -1.237 427 HA GLU 609 HA GLU 609 -5.460 -6.766 -2.598 428 HB2 GLU 609 1HB GLU 609 -7.185 -6.340 -0.220 429 HB3 GLU 609 2HB GLU 609 -7.934 -7.102 -1.616 430 HG2 GLU 609 1HG GLU 609 -5.756 -8.597 -1.507 431 HG3 GLU 609 2HG GLU 609 -5.809 -8.110 0.185 432 H GLU 610 H GLU 610 -6.327 -6.452 -4.542 433 HA GLU 610 HA GLU 610 -7.260 -4.027 -5.460 434 HB2 GLU 610 1HB GLU 610 -8.321 -5.432 -7.332 435 HB3 GLU 610 2HB GLU 610 -6.581 -5.552 -7.103 436 HG2 GLU 610 1HG GLU 610 -7.638 -7.727 -7.503 437 HG3 GLU 610 2HG GLU 610 -6.829 -7.643 -5.940 438 H VAL 611 H VAL 611 -9.410 -3.438 -6.272 439 HA VAL 611 HA VAL 611 -11.616 -4.619 -4.730 440 HB VAL 611 HB VAL 611 -12.543 -2.371 -4.315 441 HG11 VAL 611 1HG1 VAL 611 -10.875 -3.648 -2.773 442 HG12 VAL 611 2HG1 VAL 611 -9.776 -2.331 -3.191 443 HG13 VAL 611 3HG1 VAL 611 -11.315 -1.981 -2.402 444 HG21 VAL 611 1HG2 VAL 611 -10.487 -0.605 -4.520 445 HG22 VAL 611 2HG2 VAL 611 -10.243 -1.592 -5.963 446 HG23 VAL 611 3HG2 VAL 611 -11.784 -0.775 -5.703 447 H ALA 612 H ALA 612 -13.773 -3.565 -5.546 448 HA ALA 612 HA ALA 612 -13.665 -3.432 -8.488 449 HB1 ALA 612 1HB ALA 612 -15.604 -4.896 -6.718 450 HB2 ALA 612 2HB ALA 612 -15.960 -4.515 -8.404 451 HB3 ALA 612 3HB ALA 612 -14.585 -5.545 -8.004 452 H ASN 613 H ASN 613 -13.660 -1.141 -8.387 453 HA ASN 613 HA ASN 613 -16.309 -0.013 -7.802 454 HB2 ASN 613 1HB ASN 613 -14.619 0.518 -5.989 455 HB3 ASN 613 2HB ASN 613 -13.731 1.441 -7.197 456 HD21 ASN 613 1HD2 ASN 613 -15.862 4.188 -7.148 457 HD22 ASN 613 2HD2 ASN 613 -14.545 3.380 -7.923 Start of MODEL 13 1 H1 MET 553 H MET 553 7.779 1.140 -11.918 2 HA MET 553 HA MET 553 6.558 2.997 -13.848 3 HB2 MET 553 1HB MET 553 6.178 0.006 -13.941 4 HB3 MET 553 2HB MET 553 5.672 1.194 -15.135 5 HG2 MET 553 1HG MET 553 8.521 0.490 -14.465 6 HG3 MET 553 2HG MET 553 7.619 -0.083 -15.867 7 HE1 MET 553 1HE MET 553 8.670 1.861 -18.412 8 HE2 MET 553 2HE MET 553 10.133 1.666 -17.445 9 HE3 MET 553 3HE MET 553 8.919 0.386 -17.477 10 H VAL 554 H VAL 554 4.136 2.649 -13.995 11 HA VAL 554 HA VAL 554 2.798 1.446 -11.771 12 HB VAL 554 HB VAL 554 3.603 3.429 -10.618 13 HG11 VAL 554 1HG1 VAL 554 3.932 4.878 -12.553 14 HG12 VAL 554 2HG1 VAL 554 2.185 4.997 -12.771 15 HG13 VAL 554 3HG1 VAL 554 2.944 5.674 -11.328 16 HG21 VAL 554 1HG2 VAL 554 1.407 4.395 -9.944 17 HG22 VAL 554 2HG2 VAL 554 0.658 3.497 -11.265 18 HG23 VAL 554 3HG2 VAL 554 1.443 2.632 -9.944 19 HA PRO 555 HA PRO 555 -0.297 1.463 -14.932 20 HB2 PRO 555 1HB PRO 555 -2.331 0.474 -13.431 21 HB3 PRO 555 2HB PRO 555 -1.001 -0.528 -14.023 22 HG2 PRO 555 1HG PRO 555 -1.392 0.696 -11.320 23 HG3 PRO 555 2HG PRO 555 -0.827 -0.932 -11.740 24 HD2 PRO 555 1HD PRO 555 0.863 1.058 -11.022 25 HD3 PRO 555 2HD PRO 555 1.318 -0.209 -12.180 26 H GLY 556 H GLY 556 -1.302 2.601 -11.697 27 HA2 GLY 556 1HA GLY 556 -1.953 4.945 -11.453 28 HA3 GLY 556 2HA GLY 556 -2.694 4.831 -13.044 29 H ARG 557 H ARG 557 -3.010 2.252 -10.724 30 HA ARG 557 HA ARG 557 -5.860 2.942 -10.441 31 HB2 ARG 557 1HB ARG 557 -6.064 0.450 -9.860 32 HB3 ARG 557 2HB ARG 557 -5.768 0.874 -11.541 33 HG2 ARG 557 1HG ARG 557 -3.365 0.408 -11.195 34 HG3 ARG 557 2HG ARG 557 -3.737 -0.117 -9.552 35 HD2 ARG 557 1HD ARG 557 -4.997 -1.956 -10.318 36 HD3 ARG 557 2HD ARG 557 -5.071 -1.321 -11.961 37 HE ARG 557 HE ARG 557 -2.404 -1.890 -11.031 38 HH11 ARG 557 1HH1 ARG 557 -4.388 -4.432 -13.403 39 HH12 ARG 557 2HH1 ARG 557 -5.245 -3.163 -12.591 40 HH21 ARG 557 1HH2 ARG 557 -2.126 -4.656 -13.119 41 HH22 ARG 557 2HH2 ARG 557 -1.267 -3.556 -12.094 42 H SER 558 H SER 558 -6.855 2.035 -8.385 43 HA SER 558 HA SER 558 -5.015 2.509 -6.132 44 HB2 SER 558 1HB SER 558 -7.986 3.075 -6.188 45 HB3 SER 558 2HB SER 558 -6.855 3.491 -4.902 46 HG SER 558 HG SER 558 -6.649 5.297 -5.950 47 H PHE 559 H PHE 559 -5.264 1.258 -4.259 48 HA PHE 559 HA PHE 559 -6.968 -1.125 -4.552 49 HB2 PHE 559 1HB PHE 559 -4.069 -0.927 -3.816 50 HB3 PHE 559 2HB PHE 559 -5.043 -2.245 -3.173 51 HD1 PHE 559 1HD PHE 559 -4.434 -0.564 -6.450 52 HD2 PHE 559 2HD PHE 559 -5.010 -4.213 -4.337 53 HE1 PHE 559 1HE PHE 559 -4.101 -1.821 -8.539 54 HE2 PHE 559 2HE PHE 559 -4.678 -5.477 -6.423 55 HZ PHE 559 HZ PHE 559 -4.223 -4.281 -8.527 56 H MET 560 H MET 560 -7.376 -2.242 -2.452 57 HA MET 560 HA MET 560 -7.680 -0.249 -0.305 58 HB2 MET 560 1HB MET 560 -9.809 -1.048 -1.230 59 HB3 MET 560 2HB MET 560 -9.346 -2.707 -0.879 60 HG2 MET 560 1HG MET 560 -9.071 -1.558 1.561 61 HG3 MET 560 2HG MET 560 -10.405 -0.626 0.887 62 HE1 MET 560 1HE MET 560 -8.897 -3.650 2.042 63 HE2 MET 560 2HE MET 560 -10.241 -4.330 2.960 64 HE3 MET 560 3HE MET 560 -9.839 -4.981 1.370 65 H ALA 561 H ALA 561 -6.872 -0.662 1.675 66 HA ALA 561 HA ALA 561 -5.118 -2.934 1.975 67 HB1 ALA 561 1HB ALA 561 -5.387 -0.331 3.163 68 HB2 ALA 561 2HB ALA 561 -5.251 -1.569 4.414 69 HB3 ALA 561 3HB ALA 561 -4.007 -1.429 3.170 70 H VAL 562 H VAL 562 -5.664 -4.817 2.846 71 HA VAL 562 HA VAL 562 -8.237 -5.109 4.161 72 HB VAL 562 HB VAL 562 -7.680 -7.542 4.166 73 HG11 VAL 562 1HG1 VAL 562 -7.691 -7.744 1.622 74 HG12 VAL 562 2HG1 VAL 562 -8.998 -6.817 2.366 75 HG13 VAL 562 3HG1 VAL 562 -7.646 -5.981 1.602 76 HG21 VAL 562 1HG2 VAL 562 -5.657 -8.341 3.646 77 HG22 VAL 562 2HG2 VAL 562 -5.490 -7.263 2.260 78 HG23 VAL 562 3HG2 VAL 562 -5.086 -6.689 3.877 79 H LYS 563 H LYS 563 -5.076 -4.482 5.093 80 HA LYS 563 HA LYS 563 -5.729 -4.874 7.874 81 HB2 LYS 563 1HB LYS 563 -3.697 -6.245 8.334 82 HB3 LYS 563 2HB LYS 563 -4.925 -7.092 7.402 83 HG2 LYS 563 1HG LYS 563 -3.415 -6.061 5.412 84 HG3 LYS 563 2HG LYS 563 -2.193 -6.309 6.663 85 HD2 LYS 563 1HD LYS 563 -4.153 -8.438 5.827 86 HD3 LYS 563 2HD LYS 563 -2.561 -8.247 5.089 87 HE2 LYS 563 1HE LYS 563 -1.517 -8.548 7.287 88 HE3 LYS 563 2HE LYS 563 -3.109 -8.745 8.016 89 HZ1 LYS 563 1HZ LYS 563 -2.750 -10.906 7.653 90 HZ2 LYS 563 2HZ LYS 563 -1.529 -10.632 6.515 91 HZ3 LYS 563 3HZ LYS 563 -3.153 -10.575 6.043 92 H SER 564 H SER 564 -4.370 -3.720 9.279 93 HA SER 564 HA SER 564 -3.033 -1.490 8.044 94 HB2 SER 564 1HB SER 564 -2.928 -0.541 10.211 95 HB3 SER 564 2HB SER 564 -4.458 -1.415 10.170 96 HG SER 564 HG SER 564 -3.012 -1.723 12.069 97 H TYR 565 H TYR 565 -0.857 -0.788 8.833 98 HA TYR 565 HA TYR 565 0.939 -2.951 9.589 99 HB2 TYR 565 1HB TYR 565 0.921 -3.100 7.158 100 HB3 TYR 565 2HB TYR 565 1.264 -1.379 7.025 101 HD1 TYR 565 1HD TYR 565 2.687 -4.531 8.416 102 HD2 TYR 565 2HD TYR 565 3.465 -0.656 6.839 103 HE1 TYR 565 1HE TYR 565 5.099 -5.018 8.428 104 HE2 TYR 565 2HE TYR 565 5.879 -1.134 6.845 105 HH TYR 565 HH TYR 565 7.469 -2.577 7.416 106 H GLN 566 H GLN 566 2.874 -2.255 10.505 107 HA GLN 566 HA GLN 566 2.979 0.626 11.103 108 HB2 GLN 566 1HB GLN 566 2.575 -1.060 12.993 109 HB3 GLN 566 2HB GLN 566 4.253 -1.533 12.768 110 HG2 GLN 566 1HG GLN 566 4.249 0.013 14.532 111 HG3 GLN 566 2HG GLN 566 4.857 0.888 13.127 112 HE21 GLN 566 1HE2 GLN 566 2.565 3.414 13.574 113 HE22 GLN 566 2HE2 GLN 566 4.155 2.891 13.147 114 H ALA 567 H ALA 567 4.500 1.623 9.967 115 HA ALA 567 HA ALA 567 6.545 0.489 8.514 116 HB1 ALA 567 1HB ALA 567 6.760 3.206 9.787 117 HB2 ALA 567 2HB ALA 567 7.448 2.657 8.257 118 HB3 ALA 567 3HB ALA 567 5.704 2.869 8.415 119 H GLN 568 H GLN 568 8.593 -0.171 8.897 120 HA GLN 568 HA GLN 568 9.565 0.015 11.672 121 HB2 GLN 568 1HB GLN 568 10.206 -2.184 9.705 122 HB3 GLN 568 2HB GLN 568 10.612 -2.134 11.415 123 HG2 GLN 568 1HG GLN 568 8.104 -2.073 11.841 124 HG3 GLN 568 2HG GLN 568 7.926 -2.527 10.146 125 HE21 GLN 568 1HE2 GLN 568 8.021 -5.504 12.459 126 HE22 GLN 568 2HE2 GLN 568 7.171 -4.002 12.529 127 H ALA 569 H ALA 569 10.318 0.333 8.289 128 HA ALA 569 HA ALA 569 13.123 0.924 8.858 129 HB1 ALA 569 1HB ALA 569 12.033 1.170 6.112 130 HB2 ALA 569 2HB ALA 569 13.572 0.510 6.668 131 HB3 ALA 569 3HB ALA 569 12.096 -0.443 6.824 132 H GLU 570 H GLU 570 13.687 2.768 6.896 133 HA GLU 570 HA GLU 570 12.578 5.176 8.090 134 HB2 GLU 570 1HB GLU 570 14.545 5.377 5.883 135 HB3 GLU 570 2HB GLU 570 14.468 6.249 7.407 136 HG2 GLU 570 1HG GLU 570 15.114 3.923 8.419 137 HG3 GLU 570 2HG GLU 570 15.712 3.620 6.788 138 H GLY 571 H GLY 571 12.750 3.587 4.936 139 HA2 GLY 571 1HA GLY 571 11.139 5.693 3.717 140 HA3 GLY 571 2HA GLY 571 11.859 4.320 2.888 141 H GLU 572 H GLU 572 10.485 3.011 5.529 142 HA GLU 572 HA GLU 572 8.202 2.076 4.012 143 HB2 GLU 572 1HB GLU 572 9.612 1.246 6.489 144 HB3 GLU 572 2HB GLU 572 7.904 0.847 6.379 145 HG2 GLU 572 1HG GLU 572 8.902 -1.032 5.510 146 HG3 GLU 572 2HG GLU 572 8.525 -0.109 4.057 147 H ILE 573 H ILE 573 6.034 2.208 4.699 148 HA ILE 573 HA ILE 573 5.486 4.298 6.699 149 HB ILE 573 HB ILE 573 3.518 4.969 5.319 150 HG12 ILE 573 1HG1 ILE 573 4.779 3.720 2.926 151 HG13 ILE 573 2HG1 ILE 573 3.824 2.679 3.979 152 HG21 ILE 573 1HG2 ILE 573 5.404 6.391 5.248 153 HG22 ILE 573 2HG2 ILE 573 6.294 5.282 4.207 154 HG23 ILE 573 3HG2 ILE 573 4.904 6.165 3.573 155 HD11 ILE 573 1HD1 ILE 573 2.973 4.723 2.089 156 HD12 ILE 573 2HD1 ILE 573 2.096 3.340 2.745 157 HD13 ILE 573 3HD1 ILE 573 2.189 4.843 3.663 158 H SER 574 H SER 574 3.221 4.221 7.526 159 HA SER 574 HA SER 574 2.553 1.474 8.184 160 HB2 SER 574 1HB SER 574 1.713 4.163 9.231 161 HB3 SER 574 2HB SER 574 0.780 2.722 9.636 162 HG SER 574 HG SER 574 2.765 3.502 10.965 163 H LEU 575 H LEU 575 0.053 1.102 8.428 164 HA LEU 575 HA LEU 575 -1.377 2.143 6.093 165 HB2 LEU 575 1HB LEU 575 -0.506 -0.626 6.551 166 HB3 LEU 575 2HB LEU 575 -2.196 -0.445 6.084 167 HG LEU 575 HG LEU 575 -1.168 1.022 4.158 168 HD11 LEU 575 1HD1 LEU 575 1.135 0.819 5.137 169 HD12 LEU 575 2HD1 LEU 575 0.994 0.359 3.440 170 HD13 LEU 575 3HD1 LEU 575 1.098 -0.886 4.687 171 HD21 LEU 575 1HD2 LEU 575 -2.086 -0.661 3.043 172 HD22 LEU 575 2HD2 LEU 575 -1.931 -1.715 4.451 173 HD23 LEU 575 3HD2 LEU 575 -0.611 -1.600 3.285 174 H SER 576 H SER 576 -3.730 1.313 6.147 175 HA SER 576 HA SER 576 -4.714 0.955 8.876 176 HB2 SER 576 1HB SER 576 -5.137 3.348 7.170 177 HB3 SER 576 2HB SER 576 -6.542 2.743 8.049 178 HG SER 576 HG SER 576 -4.827 2.715 9.872 179 H LYS 577 H LYS 577 -6.131 -0.647 8.899 180 HA LYS 577 HA LYS 577 -7.024 -2.039 6.683 181 HB2 LYS 577 1HB LYS 577 -7.109 -2.566 9.270 182 HB3 LYS 577 2HB LYS 577 -8.748 -1.945 9.123 183 HG2 LYS 577 1HG LYS 577 -7.764 -4.064 7.259 184 HG3 LYS 577 2HG LYS 577 -8.322 -4.479 8.880 185 HD2 LYS 577 1HD LYS 577 -10.379 -2.984 8.187 186 HD3 LYS 577 2HD LYS 577 -9.848 -3.407 6.557 187 HE2 LYS 577 1HE LYS 577 -10.105 -5.575 8.580 188 HE3 LYS 577 2HE LYS 577 -11.575 -4.904 7.877 189 HZ1 LYS 577 1HZ LYS 577 -10.101 -6.880 6.787 190 HZ2 LYS 577 2HZ LYS 577 -9.532 -5.528 5.945 191 HZ3 LYS 577 3HZ LYS 577 -11.183 -5.899 5.933 192 H GLY 578 H GLY 578 -8.472 -1.625 5.150 193 HA2 GLY 578 1HA GLY 578 -10.568 -0.978 4.306 194 HA3 GLY 578 2HA GLY 578 -10.853 -0.061 5.778 195 H GLU 579 H GLU 579 -7.877 0.864 5.091 196 HA GLU 579 HA GLU 579 -8.746 3.336 3.892 197 HB2 GLU 579 1HB GLU 579 -6.856 2.845 5.697 198 HB3 GLU 579 2HB GLU 579 -5.855 2.708 4.259 199 HG2 GLU 579 1HG GLU 579 -5.812 4.955 5.243 200 HG3 GLU 579 2HG GLU 579 -6.421 4.947 3.589 201 H LYS 580 H LYS 580 -8.408 4.045 1.851 202 HA LYS 580 HA LYS 580 -7.715 2.088 -0.144 203 HB2 LYS 580 1HB LYS 580 -9.509 3.997 -0.234 204 HB3 LYS 580 2HB LYS 580 -8.154 4.986 -0.761 205 HG2 LYS 580 1HG LYS 580 -9.252 4.213 -2.707 206 HG3 LYS 580 2HG LYS 580 -7.748 3.299 -2.570 207 HD2 LYS 580 1HD LYS 580 -9.481 1.765 -3.164 208 HD3 LYS 580 2HD LYS 580 -9.059 1.469 -1.474 209 HE2 LYS 580 1HE LYS 580 -11.481 1.447 -1.812 210 HE3 LYS 580 2HE LYS 580 -10.990 2.767 -0.751 211 HZ1 LYS 580 1HZ LYS 580 -11.142 3.420 -3.572 212 HZ2 LYS 580 2HZ LYS 580 -11.649 4.309 -2.226 213 HZ3 LYS 580 3HZ LYS 580 -12.624 3.067 -2.835 214 H ILE 581 H ILE 581 -5.628 1.630 -0.442 215 HA ILE 581 HA ILE 581 -3.612 3.717 -0.177 216 HB ILE 581 HB ILE 581 -3.022 0.873 -0.933 217 HG12 ILE 581 1HG1 ILE 581 -4.468 0.646 0.977 218 HG13 ILE 581 2HG1 ILE 581 -2.812 0.407 1.525 219 HG21 ILE 581 1HG2 ILE 581 -1.069 1.581 0.723 220 HG22 ILE 581 2HG2 ILE 581 -1.036 1.977 -0.993 221 HG23 ILE 581 3HG2 ILE 581 -1.544 3.190 0.179 222 HD11 ILE 581 1HD1 ILE 581 -4.763 2.307 2.403 223 HD12 ILE 581 2HD1 ILE 581 -3.181 1.927 3.084 224 HD13 ILE 581 3HD1 ILE 581 -3.324 3.141 1.813 225 H LYS 582 H LYS 582 -2.833 4.804 -1.850 226 HA LYS 582 HA LYS 582 -3.428 3.854 -4.557 227 HB2 LYS 582 1HB LYS 582 -4.159 6.104 -4.125 228 HB3 LYS 582 2HB LYS 582 -2.578 6.552 -3.501 229 HG2 LYS 582 1HG LYS 582 -3.019 7.406 -5.774 230 HG3 LYS 582 2HG LYS 582 -1.598 6.361 -5.682 231 HD2 LYS 582 1HD LYS 582 -2.843 4.511 -6.599 232 HD3 LYS 582 2HD LYS 582 -4.338 5.451 -6.562 233 HE2 LYS 582 1HE LYS 582 -3.847 5.931 -8.696 234 HE3 LYS 582 2HE LYS 582 -2.699 7.077 -8.007 235 HZ1 LYS 582 1HZ LYS 582 -1.062 5.167 -8.050 236 HZ2 LYS 582 2HZ LYS 582 -1.485 5.831 -9.548 237 HZ3 LYS 582 3HZ LYS 582 -2.163 4.362 -9.050 238 H VAL 583 H VAL 583 -1.866 2.455 -5.167 239 HA VAL 583 HA VAL 583 0.860 2.659 -4.441 240 HB VAL 583 HB VAL 583 -0.366 1.164 -6.764 241 HG11 VAL 583 1HG1 VAL 583 2.072 1.526 -6.955 242 HG12 VAL 583 2HG1 VAL 583 2.287 0.734 -5.392 243 HG13 VAL 583 3HG1 VAL 583 1.643 -0.173 -6.761 244 HG21 VAL 583 1HG2 VAL 583 -0.800 0.773 -4.068 245 HG22 VAL 583 2HG2 VAL 583 -1.045 -0.419 -5.342 246 HG23 VAL 583 3HG2 VAL 583 0.475 -0.383 -4.450 247 H LEU 584 H LEU 584 2.515 3.735 -5.327 248 HA LEU 584 HA LEU 584 2.035 5.141 -7.872 249 HB2 LEU 584 1HB LEU 584 3.881 6.046 -5.675 250 HB3 LEU 584 2HB LEU 584 3.384 6.950 -7.105 251 HG LEU 584 HG LEU 584 1.548 6.173 -4.839 252 HD11 LEU 584 1HD1 LEU 584 1.674 8.470 -4.129 253 HD12 LEU 584 2HD1 LEU 584 2.773 8.858 -5.454 254 HD13 LEU 584 3HD1 LEU 584 3.298 7.780 -4.160 255 HD21 LEU 584 1HD2 LEU 584 1.202 7.809 -7.336 256 HD22 LEU 584 2HD2 LEU 584 0.138 7.983 -5.939 257 HD23 LEU 584 3HD2 LEU 584 0.247 6.435 -6.779 258 H SER 585 H SER 585 4.238 3.238 -5.954 259 HA SER 585 HA SER 585 5.897 2.844 -8.343 260 HB2 SER 585 1HB SER 585 7.499 4.093 -7.341 261 HB3 SER 585 2HB SER 585 6.741 3.964 -5.754 262 HG SER 585 HG SER 585 8.881 2.851 -6.232 263 H ILE 586 H ILE 586 7.232 0.875 -8.221 264 HA ILE 586 HA ILE 586 6.383 -1.116 -6.271 265 HB ILE 586 HB ILE 586 5.776 -2.770 -7.937 266 HG12 ILE 586 1HG1 ILE 586 6.182 -0.557 -9.961 267 HG13 ILE 586 2HG1 ILE 586 7.212 -1.973 -9.766 268 HG21 ILE 586 1HG2 ILE 586 3.642 -1.919 -8.553 269 HG22 ILE 586 2HG2 ILE 586 4.072 -1.180 -7.011 270 HG23 ILE 586 3HG2 ILE 586 4.224 -0.255 -8.504 271 HD11 ILE 586 1HD1 ILE 586 4.762 -1.666 -11.247 272 HD12 ILE 586 2HD1 ILE 586 5.960 -2.960 -11.299 273 HD13 ILE 586 3HD1 ILE 586 4.660 -3.008 -10.107 274 H GLY 587 H GLY 587 7.778 -2.919 -6.118 275 HA2 GLY 587 1HA GLY 587 10.319 -2.614 -7.594 276 HA3 GLY 587 2HA GLY 587 10.273 -2.980 -5.876 277 H GLU 588 H GLU 588 10.471 -5.045 -5.333 278 HA GLU 588 HA GLU 588 9.721 -7.085 -7.324 279 HB2 GLU 588 1HB GLU 588 11.576 -8.474 -6.288 280 HB3 GLU 588 2HB GLU 588 12.085 -7.109 -7.272 281 HG2 GLU 588 1HG GLU 588 12.760 -5.867 -5.428 282 HG3 GLU 588 2HG GLU 588 11.816 -6.846 -4.306 283 H GLY 589 H GLY 589 9.432 -9.295 -6.274 284 HA2 GLY 589 1HA GLY 589 8.125 -10.592 -4.898 285 HA3 GLY 589 2HA GLY 589 8.907 -9.712 -3.593 286 H GLY 590 H GLY 590 7.061 -9.696 -2.302 287 HA2 GLY 590 1HA GLY 590 4.654 -8.422 -3.358 288 HA3 GLY 590 2HA GLY 590 4.809 -9.221 -1.801 289 H PHE 591 H PHE 591 6.978 -6.755 -3.076 290 HA PHE 591 HA PHE 591 5.983 -4.905 -1.012 291 HB2 PHE 591 1HB PHE 591 8.541 -6.100 -1.162 292 HB3 PHE 591 2HB PHE 591 8.749 -4.410 -1.608 293 HD1 PHE 591 1HD PHE 591 8.394 -2.648 -0.013 294 HD2 PHE 591 2HD PHE 591 7.753 -6.720 1.052 295 HE1 PHE 591 1HE PHE 591 8.335 -2.014 2.363 296 HE2 PHE 591 2HE PHE 591 7.693 -6.090 3.430 297 HZ PHE 591 HZ PHE 591 7.984 -3.736 4.088 298 H TRP 592 H TRP 592 5.737 -2.796 -1.584 299 HA TRP 592 HA TRP 592 6.903 -1.705 -3.968 300 HB2 TRP 592 1HB TRP 592 4.768 -1.232 -5.115 301 HB3 TRP 592 2HB TRP 592 5.079 -2.960 -4.988 302 HD1 TRP 592 HD TRP 592 3.981 -2.117 -1.675 303 HE1 TRP 592 1HE TRP 592 1.456 -2.507 -1.361 304 HE3 TRP 592 3HE TRP 592 2.599 -2.486 -6.583 305 HZ2 TRP 592 2HZ TRP 592 -0.819 -2.920 -2.978 306 HZ3 TRP 592 3HZ TRP 592 0.229 -2.879 -7.115 307 HH2 TRP 592 HH TRP 592 -1.444 -3.091 -5.348 308 H GLU 593 H GLU 593 5.980 0.560 -4.383 309 HA GLU 593 HA GLU 593 5.655 1.858 -1.774 310 HB2 GLU 593 1HB GLU 593 7.166 2.467 -4.124 311 HB3 GLU 593 2HB GLU 593 6.029 3.774 -3.833 312 HG2 GLU 593 1HG GLU 593 7.383 2.904 -1.413 313 HG3 GLU 593 2HG GLU 593 8.494 3.469 -2.661 314 H GLY 594 H GLY 594 3.978 3.244 -1.321 315 HA2 GLY 594 1HA GLY 594 2.044 3.922 -3.372 316 HA3 GLY 594 2HA GLY 594 1.461 2.808 -2.147 317 H GLN 595 H GLN 595 -0.074 4.721 -1.954 318 HA GLN 595 HA GLN 595 0.969 6.504 0.137 319 HB2 GLN 595 1HB GLN 595 0.861 7.920 -1.761 320 HB3 GLN 595 2HB GLN 595 -0.688 7.255 -2.264 321 HG2 GLN 595 1HG GLN 595 -1.861 8.419 -0.638 322 HG3 GLN 595 2HG GLN 595 -0.421 8.697 0.339 323 HE21 GLN 595 1HE2 GLN 595 -0.749 11.953 -0.961 324 HE22 GLN 595 2HE2 GLN 595 -1.134 10.917 0.368 325 H VAL 596 H VAL 596 -0.293 6.700 1.898 326 HA VAL 596 HA VAL 596 -3.049 5.679 1.756 327 HB VAL 596 HB VAL 596 -1.722 3.925 2.769 328 HG11 VAL 596 1HG1 VAL 596 -0.282 6.088 3.891 329 HG12 VAL 596 2HG1 VAL 596 -0.925 5.126 5.223 330 HG13 VAL 596 3HG1 VAL 596 0.079 4.364 3.988 331 HG21 VAL 596 1HG2 VAL 596 -3.993 4.983 3.820 332 HG22 VAL 596 2HG2 VAL 596 -3.248 3.480 4.360 333 HG23 VAL 596 3HG2 VAL 596 -2.930 4.982 5.226 334 H LYS 597 H LYS 597 -4.360 7.314 2.210 335 HA LYS 597 HA LYS 597 -5.046 9.377 2.973 336 HB2 LYS 597 1HB LYS 597 -5.131 9.377 5.524 337 HB3 LYS 597 2HB LYS 597 -5.937 8.047 4.702 338 HG2 LYS 597 1HG LYS 597 -4.822 6.970 6.403 339 HG3 LYS 597 2HG LYS 597 -3.695 6.798 5.056 340 HD2 LYS 597 1HD LYS 597 -2.498 7.447 7.061 341 HD3 LYS 597 2HD LYS 597 -2.450 8.760 5.881 342 HE2 LYS 597 1HE LYS 597 -3.186 10.092 7.507 343 HE3 LYS 597 2HE LYS 597 -4.738 9.267 7.356 344 HZ1 LYS 597 1HZ LYS 597 -4.061 9.221 9.629 345 HZ2 LYS 597 2HZ LYS 597 -2.540 8.597 9.235 346 HZ3 LYS 597 3HZ LYS 597 -3.923 7.649 9.020 347 H GLY 598 H GLY 598 -2.319 9.451 2.133 348 HA2 GLY 598 1HA GLY 598 -1.111 11.586 2.254 349 HA3 GLY 598 2HA GLY 598 -1.288 11.494 4.002 350 H ARG 599 H ARG 599 -0.505 9.025 4.661 351 HA ARG 599 HA ARG 599 2.277 9.154 4.607 352 HB2 ARG 599 1HB ARG 599 0.261 7.167 5.458 353 HB3 ARG 599 2HB ARG 599 1.866 6.530 5.129 354 HG2 ARG 599 1HG ARG 599 2.478 8.684 6.649 355 HG3 ARG 599 2HG ARG 599 0.918 8.219 7.329 356 HD2 ARG 599 1HD ARG 599 1.682 6.097 7.937 357 HD3 ARG 599 2HD ARG 599 3.068 6.187 6.852 358 HE ARG 599 HE ARG 599 4.243 7.214 8.519 359 HH11 ARG 599 1HH1 ARG 599 1.088 8.155 10.795 360 HH12 ARG 599 2HH1 ARG 599 0.843 7.460 9.228 361 HH21 ARG 599 1HH2 ARG 599 3.212 8.536 11.563 362 HH22 ARG 599 2HH2 ARG 599 4.577 8.128 10.580 363 H VAL 600 H VAL 600 3.406 9.122 2.759 364 HA VAL 600 HA VAL 600 2.816 6.993 0.810 365 HB VAL 600 HB VAL 600 4.296 9.565 0.258 366 HG11 VAL 600 1HG1 VAL 600 4.003 8.991 -2.065 367 HG12 VAL 600 2HG1 VAL 600 4.774 7.640 -1.231 368 HG13 VAL 600 3HG1 VAL 600 3.057 7.568 -1.633 369 HG21 VAL 600 1HG2 VAL 600 1.811 9.539 -1.068 370 HG22 VAL 600 2HG2 VAL 600 1.489 9.134 0.618 371 HG23 VAL 600 3HG2 VAL 600 2.344 10.623 0.217 372 H GLY 601 H GLY 601 4.241 5.391 0.749 373 HA2 GLY 601 1HA GLY 601 7.041 5.802 0.610 374 HA3 GLY 601 2HA GLY 601 6.595 5.275 2.226 375 H TRP 602 H TRP 602 7.718 3.327 2.016 376 HA TRP 602 HA TRP 602 6.743 1.463 -0.029 377 HB2 TRP 602 1HB TRP 602 9.129 1.248 1.820 378 HB3 TRP 602 2HB TRP 602 8.694 0.083 0.572 379 HD1 TRP 602 HD TRP 602 9.372 3.919 0.635 380 HE1 TRP 602 1HE TRP 602 10.808 4.492 -1.422 381 HE3 TRP 602 3HE TRP 602 9.743 -0.747 -1.421 382 HZ2 TRP 602 2HZ TRP 602 11.948 3.145 -3.626 383 HZ3 TRP 602 3HZ TRP 602 11.023 -1.018 -3.505 384 HH2 TRP 602 HH TRP 602 12.102 0.889 -4.583 385 H PHE 603 H PHE 603 6.047 -0.640 0.529 386 HA PHE 603 HA PHE 603 5.826 -1.605 3.160 387 HB2 PHE 603 1HB PHE 603 3.477 -1.286 3.624 388 HB3 PHE 603 2HB PHE 603 4.216 0.288 3.345 389 HD1 PHE 603 1HD PHE 603 3.639 1.610 1.425 390 HD2 PHE 603 2HD PHE 603 1.940 -2.249 2.006 391 HE1 PHE 603 1HE PHE 603 1.953 2.097 -0.299 392 HE2 PHE 603 2HE PHE 603 0.251 -1.766 0.283 393 HZ PHE 603 HZ PHE 603 0.256 0.408 -0.872 394 HA PRO 604 HA PRO 604 4.879 -5.291 0.977 395 HB2 PRO 604 1HB PRO 604 3.479 -6.684 2.839 396 HB3 PRO 604 2HB PRO 604 5.222 -6.416 2.952 397 HG2 PRO 604 1HG PRO 604 2.989 -4.965 4.317 398 HG3 PRO 604 2HG PRO 604 4.539 -5.511 4.982 399 HD2 PRO 604 1HD PRO 604 4.093 -2.944 4.243 400 HD3 PRO 604 2HD PRO 604 5.689 -3.712 4.111 401 H SER 605 H SER 605 3.437 -5.731 -0.562 402 HA SER 605 HA SER 605 0.881 -4.475 -0.616 403 HB2 SER 605 1HB SER 605 0.852 -5.062 -2.809 404 HB3 SER 605 2HB SER 605 2.550 -5.450 -2.534 405 HG SER 605 HG SER 605 1.854 -7.612 -2.066 406 H ASP 606 H ASP 606 1.976 -7.234 0.914 407 HA ASP 606 HA ASP 606 -0.097 -9.073 0.577 408 HB2 ASP 606 1HB ASP 606 2.180 -9.269 1.846 409 HB3 ASP 606 2HB ASP 606 1.245 -8.722 3.235 410 H CYS 607 H CYS 607 0.008 -6.091 2.311 411 HA CYS 607 HA CYS 607 -2.408 -6.711 3.822 412 HB2 CYS 607 1HB CYS 607 -0.906 -4.095 3.789 413 HB3 CYS 607 2HB CYS 607 -2.030 -4.678 5.011 414 HG CYS 607 HG CYS 607 -0.163 -6.908 5.551 415 H LEU 608 H LEU 608 -1.848 -5.896 0.762 416 HA LEU 608 HA LEU 608 -4.117 -4.027 0.595 417 HB2 LEU 608 1HB LEU 608 -1.589 -4.281 -0.890 418 HB3 LEU 608 2HB LEU 608 -3.012 -3.959 -1.879 419 HG LEU 608 HG LEU 608 -1.617 -1.963 -1.108 420 HD11 LEU 608 1HD1 LEU 608 -4.485 -2.337 -1.276 421 HD12 LEU 608 2HD1 LEU 608 -3.474 -1.039 -1.910 422 HD13 LEU 608 3HD1 LEU 608 -4.051 -0.974 -0.244 423 HD21 LEU 608 1HD2 LEU 608 -3.185 -2.109 1.422 424 HD22 LEU 608 2HD2 LEU 608 -1.695 -1.234 1.067 425 HD23 LEU 608 3HD2 LEU 608 -1.657 -2.981 1.310 426 H GLU 609 H GLU 609 -5.533 -4.286 -1.302 427 HA GLU 609 HA GLU 609 -5.564 -6.851 -2.622 428 HB2 GLU 609 1HB GLU 609 -7.381 -6.212 -0.364 429 HB3 GLU 609 2HB GLU 609 -8.108 -6.983 -1.767 430 HG2 GLU 609 1HG GLU 609 -5.831 -8.038 -0.109 431 HG3 GLU 609 2HG GLU 609 -7.482 -8.651 -0.156 432 H GLU 610 H GLU 610 -6.868 -6.890 -4.451 433 HA GLU 610 HA GLU 610 -7.249 -4.540 -5.837 434 HB2 GLU 610 1HB GLU 610 -8.118 -7.329 -6.149 435 HB3 GLU 610 2HB GLU 610 -9.158 -6.157 -6.947 436 HG2 GLU 610 1HG GLU 610 -6.184 -6.396 -7.341 437 HG3 GLU 610 2HG GLU 610 -7.417 -7.032 -8.429 438 H VAL 611 H VAL 611 -8.938 -3.144 -6.197 439 HA VAL 611 HA VAL 611 -10.914 -2.992 -4.093 440 HB VAL 611 HB VAL 611 -11.596 -0.875 -5.208 441 HG11 VAL 611 1HG1 VAL 611 -9.011 0.009 -5.038 442 HG12 VAL 611 2HG1 VAL 611 -10.112 -0.199 -3.673 443 HG13 VAL 611 3HG1 VAL 611 -8.965 -1.476 -4.087 444 HG21 VAL 611 1HG2 VAL 611 -9.302 -0.624 -6.926 445 HG22 VAL 611 2HG2 VAL 611 -10.294 -1.997 -7.415 446 HG23 VAL 611 3HG2 VAL 611 -11.011 -0.390 -7.299 447 H ALA 612 H ALA 612 -13.195 -2.250 -4.846 448 HA ALA 612 HA ALA 612 -14.089 -3.986 -7.054 449 HB1 ALA 612 1HB ALA 612 -14.565 -4.684 -4.557 450 HB2 ALA 612 2HB ALA 612 -15.888 -3.529 -4.729 451 HB3 ALA 612 3HB ALA 612 -15.777 -4.910 -5.820 452 H ASN 613 H ASN 613 -16.458 -3.395 -7.647 453 HA ASN 613 HA ASN 613 -16.715 -0.460 -7.683 454 HB2 ASN 613 1HB ASN 613 -16.015 -1.746 -9.869 455 HB3 ASN 613 2HB ASN 613 -17.732 -2.127 -9.952 456 HD21 ASN 613 1HD2 ASN 613 -17.780 0.818 -11.886 457 HD22 ASN 613 2HD2 ASN 613 -17.646 -0.903 -11.945 Start of MODEL 14 1 H1 MET 553 H MET 553 5.038 -4.314 -15.529 2 HA MET 553 HA MET 553 5.957 -1.572 -15.422 3 HB2 MET 553 1HB MET 553 3.546 -2.848 -16.724 4 HB3 MET 553 2HB MET 553 3.942 -1.137 -16.845 5 HG2 MET 553 1HG MET 553 5.799 -3.328 -17.726 6 HG3 MET 553 2HG MET 553 4.629 -2.553 -18.792 7 HE1 MET 553 1HE MET 553 5.497 -0.298 -20.286 8 HE2 MET 553 2HE MET 553 4.400 -0.046 -18.929 9 HE3 MET 553 3HE MET 553 5.793 1.016 -19.147 10 H VAL 554 H VAL 554 4.777 0.175 -14.562 11 HA VAL 554 HA VAL 554 3.680 -0.198 -12.035 12 HB VAL 554 HB VAL 554 4.570 1.955 -12.734 13 HG11 VAL 554 1HG1 VAL 554 3.734 1.828 -15.077 14 HG12 VAL 554 2HG1 VAL 554 2.128 2.247 -14.477 15 HG13 VAL 554 3HG1 VAL 554 3.461 3.389 -14.302 16 HG21 VAL 554 1HG2 VAL 554 3.041 2.005 -10.887 17 HG22 VAL 554 2HG2 VAL 554 2.731 3.415 -11.899 18 HG23 VAL 554 3HG2 VAL 554 1.653 2.023 -11.974 19 HA PRO 555 HA PRO 555 -0.410 -1.630 -12.922 20 HB2 PRO 555 1HB PRO 555 -1.455 -1.259 -10.443 21 HB3 PRO 555 2HB PRO 555 -0.352 -2.585 -10.834 22 HG2 PRO 555 1HG PRO 555 0.231 0.035 -9.508 23 HG3 PRO 555 2HG PRO 555 0.818 -1.586 -9.090 24 HD2 PRO 555 1HD PRO 555 2.320 0.196 -10.470 25 HD3 PRO 555 2HD PRO 555 2.441 -1.558 -10.724 26 H GLY 556 H GLY 556 -0.154 1.312 -10.909 27 HA2 GLY 556 1HA GLY 556 -1.278 3.311 -11.006 28 HA3 GLY 556 2HA GLY 556 -1.573 2.953 -12.701 29 H ARG 557 H ARG 557 -2.669 1.525 -9.621 30 HA ARG 557 HA ARG 557 -5.433 2.094 -10.414 31 HB2 ARG 557 1HB ARG 557 -4.895 -0.553 -9.166 32 HB3 ARG 557 2HB ARG 557 -6.163 -0.077 -10.287 33 HG2 ARG 557 1HG ARG 557 -4.157 0.143 -11.964 34 HG3 ARG 557 2HG ARG 557 -3.380 -0.968 -10.835 35 HD2 ARG 557 1HD ARG 557 -4.648 -2.697 -11.487 36 HD3 ARG 557 2HD ARG 557 -6.115 -1.719 -11.529 37 HE ARG 557 HE ARG 557 -5.801 -1.399 -13.777 38 HH11 ARG 557 1HH1 ARG 557 -2.101 -2.923 -13.901 39 HH12 ARG 557 2HH1 ARG 557 -2.877 -2.662 -12.373 40 HH21 ARG 557 1HH2 ARG 557 -3.191 -2.397 -15.845 41 HH22 ARG 557 2HH2 ARG 557 -4.791 -1.739 -15.794 42 H SER 558 H SER 558 -6.907 1.272 -8.463 43 HA SER 558 HA SER 558 -5.700 2.409 -6.030 44 HB2 SER 558 1HB SER 558 -8.452 2.465 -5.663 45 HB3 SER 558 2HB SER 558 -7.440 3.831 -6.134 46 HG SER 558 HG SER 558 -7.788 3.049 -8.354 47 H PHE 559 H PHE 559 -5.078 0.786 -4.750 48 HA PHE 559 HA PHE 559 -6.814 -1.566 -4.490 49 HB2 PHE 559 1HB PHE 559 -3.899 -1.102 -3.883 50 HB3 PHE 559 2HB PHE 559 -4.761 -2.513 -3.278 51 HD1 PHE 559 1HD PHE 559 -3.962 -0.705 -6.425 52 HD2 PHE 559 2HD PHE 559 -4.929 -4.418 -4.582 53 HE1 PHE 559 1HE PHE 559 -3.545 -1.866 -8.553 54 HE2 PHE 559 2HE PHE 559 -4.514 -5.585 -6.708 55 HZ PHE 559 HZ PHE 559 -3.822 -4.309 -8.697 56 H MET 560 H MET 560 -7.624 -2.225 -2.531 57 HA MET 560 HA MET 560 -7.573 -0.207 -0.413 58 HB2 MET 560 1HB MET 560 -9.771 -0.935 -1.230 59 HB3 MET 560 2HB MET 560 -9.387 -2.595 -0.795 60 HG2 MET 560 1HG MET 560 -9.023 -1.568 1.581 61 HG3 MET 560 2HG MET 560 -10.049 -0.281 0.952 62 HE1 MET 560 1HE MET 560 -10.748 -4.640 1.396 63 HE2 MET 560 2HE MET 560 -9.431 -3.635 2.000 64 HE3 MET 560 3HE MET 560 -10.885 -3.865 2.973 65 H ALA 561 H ALA 561 -6.819 -0.594 1.612 66 HA ALA 561 HA ALA 561 -5.098 -2.882 1.960 67 HB1 ALA 561 1HB ALA 561 -5.292 -0.256 3.055 68 HB2 ALA 561 2HB ALA 561 -5.285 -1.430 4.372 69 HB3 ALA 561 3HB ALA 561 -3.975 -1.420 3.192 70 H VAL 562 H VAL 562 -5.710 -4.754 2.802 71 HA VAL 562 HA VAL 562 -8.279 -5.002 4.116 72 HB VAL 562 HB VAL 562 -7.741 -7.437 4.173 73 HG11 VAL 562 1HG1 VAL 562 -7.604 -7.611 1.574 74 HG12 VAL 562 2HG1 VAL 562 -9.018 -6.879 2.334 75 HG13 VAL 562 3HG1 VAL 562 -7.761 -5.856 1.639 76 HG21 VAL 562 1HG2 VAL 562 -5.377 -6.839 2.435 77 HG22 VAL 562 2HG2 VAL 562 -5.208 -6.918 4.189 78 HG23 VAL 562 3HG2 VAL 562 -5.781 -8.325 3.294 79 H LYS 563 H LYS 563 -5.201 -4.259 5.111 80 HA LYS 563 HA LYS 563 -5.868 -4.602 7.873 81 HB2 LYS 563 1HB LYS 563 -3.894 -6.020 8.422 82 HB3 LYS 563 2HB LYS 563 -5.127 -6.859 7.489 83 HG2 LYS 563 1HG LYS 563 -3.516 -5.909 5.516 84 HG3 LYS 563 2HG LYS 563 -2.354 -6.221 6.808 85 HD2 LYS 563 1HD LYS 563 -4.397 -8.224 5.858 86 HD3 LYS 563 2HD LYS 563 -2.736 -8.151 5.264 87 HE2 LYS 563 1HE LYS 563 -2.172 -8.239 7.833 88 HE3 LYS 563 2HE LYS 563 -3.773 -8.970 7.936 89 HZ1 LYS 563 1HZ LYS 563 -3.006 -10.867 7.109 90 HZ2 LYS 563 2HZ LYS 563 -1.443 -10.260 7.327 91 HZ3 LYS 563 3HZ LYS 563 -2.211 -10.099 5.829 92 H SER 564 H SER 564 -4.407 -3.524 9.285 93 HA SER 564 HA SER 564 -3.057 -1.320 8.021 94 HB2 SER 564 1HB SER 564 -3.145 -2.027 10.962 95 HB3 SER 564 2HB SER 564 -2.742 -0.461 10.259 96 HG SER 564 HG SER 564 -5.224 -1.707 10.543 97 H TYR 565 H TYR 565 -0.845 -0.667 8.893 98 HA TYR 565 HA TYR 565 0.915 -2.903 9.491 99 HB2 TYR 565 1HB TYR 565 0.817 -2.882 7.033 100 HB3 TYR 565 2HB TYR 565 1.302 -1.190 7.027 101 HD1 TYR 565 1HD TYR 565 2.440 -4.600 7.946 102 HD2 TYR 565 2HD TYR 565 3.575 -0.589 7.098 103 HE1 TYR 565 1HE TYR 565 4.803 -5.285 7.900 104 HE2 TYR 565 2HE TYR 565 5.940 -1.263 7.048 105 HH TYR 565 HH TYR 565 6.907 -4.625 7.670 106 H GLN 566 H GLN 566 2.871 -2.294 10.422 107 HA GLN 566 HA GLN 566 3.038 0.547 11.173 108 HB2 GLN 566 1HB GLN 566 2.651 -1.193 12.987 109 HB3 GLN 566 2HB GLN 566 4.284 -1.761 12.661 110 HG2 GLN 566 1HG GLN 566 5.062 0.591 13.128 111 HG3 GLN 566 2HG GLN 566 3.435 0.916 13.721 112 HE21 GLN 566 1HE2 GLN 566 5.889 -0.224 16.398 113 HE22 GLN 566 2HE2 GLN 566 6.089 0.852 15.062 114 H ALA 567 H ALA 567 4.504 1.565 9.976 115 HA ALA 567 HA ALA 567 6.523 0.476 8.456 116 HB1 ALA 567 1HB ALA 567 7.365 2.645 8.175 117 HB2 ALA 567 2HB ALA 567 5.643 2.871 8.481 118 HB3 ALA 567 3HB ALA 567 6.812 3.160 9.769 119 H GLN 568 H GLN 568 8.516 -0.298 8.814 120 HA GLN 568 HA GLN 568 9.615 -0.046 11.537 121 HB2 GLN 568 1HB GLN 568 10.128 -2.353 9.666 122 HB3 GLN 568 2HB GLN 568 10.506 -2.251 11.379 123 HG2 GLN 568 1HG GLN 568 7.941 -1.993 11.665 124 HG3 GLN 568 2HG GLN 568 7.874 -2.690 10.048 125 HE21 GLN 568 1HE2 GLN 568 8.292 -5.046 13.204 126 HE22 GLN 568 2HE2 GLN 568 7.829 -3.383 13.262 127 H ALA 569 H ALA 569 10.242 0.044 8.107 128 HA ALA 569 HA ALA 569 13.094 0.412 8.446 129 HB1 ALA 569 1HB ALA 569 11.697 0.942 5.866 130 HB2 ALA 569 2HB ALA 569 13.277 0.216 6.164 131 HB3 ALA 569 3HB ALA 569 11.808 -0.714 6.462 132 H GLU 570 H GLU 570 13.751 2.329 6.640 133 HA GLU 570 HA GLU 570 12.970 4.745 8.056 134 HB2 GLU 570 1HB GLU 570 14.928 5.684 7.321 135 HB3 GLU 570 2HB GLU 570 15.380 3.986 7.284 136 HG2 GLU 570 1HG GLU 570 14.787 3.947 4.870 137 HG3 GLU 570 2HG GLU 570 14.530 5.688 4.955 138 H GLY 571 H GLY 571 12.602 3.248 4.918 139 HA2 GLY 571 1HA GLY 571 11.209 5.647 3.929 140 HA3 GLY 571 2HA GLY 571 11.847 4.356 2.922 141 H GLU 572 H GLU 572 10.419 2.937 5.542 142 HA GLU 572 HA GLU 572 8.125 2.146 3.962 143 HB2 GLU 572 1HB GLU 572 9.525 1.140 6.352 144 HB3 GLU 572 2HB GLU 572 7.783 0.904 6.359 145 HG2 GLU 572 1HG GLU 572 8.634 -1.045 5.416 146 HG3 GLU 572 2HG GLU 572 8.075 -0.099 4.038 147 H ILE 573 H ILE 573 5.946 2.271 4.701 148 HA ILE 573 HA ILE 573 5.465 4.384 6.698 149 HB ILE 573 HB ILE 573 3.458 5.037 5.341 150 HG12 ILE 573 1HG1 ILE 573 4.646 3.944 2.878 151 HG13 ILE 573 2HG1 ILE 573 3.946 2.735 3.951 152 HG21 ILE 573 1HG2 ILE 573 4.814 6.270 3.613 153 HG22 ILE 573 2HG2 ILE 573 5.344 6.468 5.282 154 HG23 ILE 573 3HG2 ILE 573 6.220 5.384 4.202 155 HD11 ILE 573 1HD1 ILE 573 1.902 3.268 3.305 156 HD12 ILE 573 2HD1 ILE 573 2.172 4.974 3.664 157 HD13 ILE 573 3HD1 ILE 573 2.621 4.323 2.088 158 H SER 574 H SER 574 3.158 4.356 7.500 159 HA SER 574 HA SER 574 2.506 1.638 8.271 160 HB2 SER 574 1HB SER 574 1.326 2.552 10.044 161 HB3 SER 574 2HB SER 574 2.534 3.806 9.767 162 HG SER 574 HG SER 574 -0.201 3.792 9.126 163 H LEU 575 H LEU 575 -0.012 1.285 8.524 164 HA LEU 575 HA LEU 575 -1.439 2.220 6.151 165 HB2 LEU 575 1HB LEU 575 -0.541 -0.541 6.682 166 HB3 LEU 575 2HB LEU 575 -2.204 -0.362 6.128 167 HG LEU 575 HG LEU 575 -1.005 1.122 4.268 168 HD11 LEU 575 1HD1 LEU 575 1.224 0.671 5.380 169 HD12 LEU 575 2HD1 LEU 575 1.132 0.338 3.652 170 HD13 LEU 575 3HD1 LEU 575 1.066 -0.990 4.812 171 HD21 LEU 575 1HD2 LEU 575 -1.959 -0.464 3.048 172 HD22 LEU 575 2HD2 LEU 575 -2.053 -1.508 4.466 173 HD23 LEU 575 3HD2 LEU 575 -0.631 -1.563 3.425 174 H SER 576 H SER 576 -3.770 1.336 6.209 175 HA SER 576 HA SER 576 -4.758 0.963 8.934 176 HB2 SER 576 1HB SER 576 -5.234 3.356 7.229 177 HB3 SER 576 2HB SER 576 -6.604 2.735 8.149 178 HG SER 576 HG SER 576 -5.614 3.225 9.994 179 H LYS 577 H LYS 577 -6.193 -0.624 8.955 180 HA LYS 577 HA LYS 577 -7.052 -2.022 6.721 181 HB2 LYS 577 1HB LYS 577 -7.118 -2.637 9.252 182 HB3 LYS 577 2HB LYS 577 -8.723 -1.920 9.213 183 HG2 LYS 577 1HG LYS 577 -7.977 -4.013 7.219 184 HG3 LYS 577 2HG LYS 577 -8.440 -4.471 8.861 185 HD2 LYS 577 1HD LYS 577 -10.449 -2.813 8.343 186 HD3 LYS 577 2HD LYS 577 -10.070 -3.276 6.683 187 HE2 LYS 577 1HE LYS 577 -10.717 -5.440 6.996 188 HE3 LYS 577 2HE LYS 577 -10.276 -5.440 8.701 189 HZ1 LYS 577 1HZ LYS 577 -12.241 -3.913 9.021 190 HZ2 LYS 577 2HZ LYS 577 -12.602 -5.522 8.647 191 HZ3 LYS 577 3HZ LYS 577 -12.716 -4.330 7.453 192 H GLY 578 H GLY 578 -8.514 -1.633 5.194 193 HA2 GLY 578 1HA GLY 578 -10.600 -0.987 4.335 194 HA3 GLY 578 2HA GLY 578 -10.909 -0.095 5.816 195 H GLU 579 H GLU 579 -7.886 0.777 5.002 196 HA GLU 579 HA GLU 579 -8.791 3.293 3.893 197 HB2 GLU 579 1HB GLU 579 -6.910 2.824 5.692 198 HB3 GLU 579 2HB GLU 579 -5.899 2.649 4.265 199 HG2 GLU 579 1HG GLU 579 -5.840 4.913 5.220 200 HG3 GLU 579 2HG GLU 579 -6.415 4.882 3.554 201 H LYS 580 H LYS 580 -8.527 3.990 1.848 202 HA LYS 580 HA LYS 580 -7.828 2.070 -0.167 203 HB2 LYS 580 1HB LYS 580 -9.619 3.946 -0.261 204 HB3 LYS 580 2HB LYS 580 -8.275 4.993 -0.694 205 HG2 LYS 580 1HG LYS 580 -9.305 4.290 -2.709 206 HG3 LYS 580 2HG LYS 580 -7.773 3.422 -2.577 207 HD2 LYS 580 1HD LYS 580 -9.448 1.871 -3.300 208 HD3 LYS 580 2HD LYS 580 -9.034 1.488 -1.628 209 HE2 LYS 580 1HE LYS 580 -11.452 1.400 -2.005 210 HE3 LYS 580 2HE LYS 580 -11.019 2.660 -0.849 211 HZ1 LYS 580 1HZ LYS 580 -12.597 3.001 -3.018 212 HZ2 LYS 580 2HZ LYS 580 -11.108 3.579 -3.572 213 HZ3 LYS 580 3HZ LYS 580 -11.809 4.244 -2.184 214 H ILE 581 H ILE 581 -5.750 1.595 -0.496 215 HA ILE 581 HA ILE 581 -3.730 3.698 -0.277 216 HB ILE 581 HB ILE 581 -3.088 0.835 -0.879 217 HG12 ILE 581 1HG1 ILE 581 -4.619 0.672 0.984 218 HG13 ILE 581 2HG1 ILE 581 -2.981 0.430 1.582 219 HG21 ILE 581 1HG2 ILE 581 -1.174 1.550 0.735 220 HG22 ILE 581 2HG2 ILE 581 -1.160 2.095 -0.940 221 HG23 ILE 581 3HG2 ILE 581 -1.703 3.183 0.336 222 HD11 ILE 581 1HD1 ILE 581 -3.439 1.954 3.120 223 HD12 ILE 581 2HD1 ILE 581 -3.414 3.157 1.828 224 HD13 ILE 581 3HD1 ILE 581 -4.938 2.413 2.312 225 H LYS 582 H LYS 582 -2.561 4.451 -1.963 226 HA LYS 582 HA LYS 582 -3.213 3.373 -4.626 227 HB2 LYS 582 1HB LYS 582 -4.080 5.596 -4.441 228 HB3 LYS 582 2HB LYS 582 -2.575 6.191 -3.753 229 HG2 LYS 582 1HG LYS 582 -2.834 6.880 -6.073 230 HG3 LYS 582 2HG LYS 582 -1.439 5.818 -5.869 231 HD2 LYS 582 1HD LYS 582 -2.424 4.082 -7.005 232 HD3 LYS 582 2HD LYS 582 -4.060 4.606 -6.601 233 HE2 LYS 582 1HE LYS 582 -2.294 6.205 -8.427 234 HE3 LYS 582 2HE LYS 582 -3.274 4.871 -9.028 235 HZ1 LYS 582 1HZ LYS 582 -4.559 6.939 -7.393 236 HZ2 LYS 582 2HZ LYS 582 -5.210 5.991 -8.633 237 HZ3 LYS 582 3HZ LYS 582 -4.197 7.295 -9.007 238 H VAL 583 H VAL 583 -1.576 2.117 -5.259 239 HA VAL 583 HA VAL 583 1.116 2.472 -4.398 240 HB VAL 583 HB VAL 583 0.244 0.261 -4.994 241 HG11 VAL 583 1HG1 VAL 583 -0.274 -0.375 -7.225 242 HG12 VAL 583 2HG1 VAL 583 -1.173 1.108 -6.892 243 HG13 VAL 583 3HG1 VAL 583 0.297 1.165 -7.866 244 HG21 VAL 583 1HG2 VAL 583 2.163 -0.109 -6.876 245 HG22 VAL 583 2HG2 VAL 583 2.674 1.423 -6.168 246 HG23 VAL 583 3HG2 VAL 583 2.474 0.002 -5.144 247 H LEU 584 H LEU 584 2.632 3.766 -5.198 248 HA LEU 584 HA LEU 584 2.172 5.002 -7.825 249 HB2 LEU 584 1HB LEU 584 3.993 5.958 -5.625 250 HB3 LEU 584 2HB LEU 584 3.554 6.826 -7.096 251 HG LEU 584 HG LEU 584 1.652 6.136 -4.857 252 HD11 LEU 584 1HD1 LEU 584 3.556 8.286 -5.174 253 HD12 LEU 584 2HD1 LEU 584 2.553 7.863 -3.788 254 HD13 LEU 584 3HD1 LEU 584 1.902 8.891 -5.064 255 HD21 LEU 584 1HD2 LEU 584 0.240 7.857 -6.059 256 HD22 LEU 584 2HD2 LEU 584 0.419 6.298 -6.866 257 HD23 LEU 584 3HD2 LEU 584 1.354 7.690 -7.416 258 H SER 585 H SER 585 4.428 3.165 -5.904 259 HA SER 585 HA SER 585 6.100 2.818 -8.296 260 HB2 SER 585 1HB SER 585 6.886 4.076 -5.855 261 HB3 SER 585 2HB SER 585 7.755 2.546 -5.993 262 HG SER 585 HG SER 585 8.943 3.441 -7.462 263 H ILE 586 H ILE 586 7.635 0.886 -7.959 264 HA ILE 586 HA ILE 586 6.440 -1.215 -6.316 265 HB ILE 586 HB ILE 586 6.657 -2.801 -8.293 266 HG12 ILE 586 1HG1 ILE 586 6.462 -0.246 -9.892 267 HG13 ILE 586 2HG1 ILE 586 7.966 -1.132 -9.670 268 HG21 ILE 586 1HG2 ILE 586 4.428 -2.493 -8.892 269 HG22 ILE 586 2HG2 ILE 586 4.533 -1.751 -7.296 270 HG23 ILE 586 3HG2 ILE 586 4.530 -0.740 -8.740 271 HD11 ILE 586 1HD1 ILE 586 6.180 -3.049 -10.550 272 HD12 ILE 586 2HD1 ILE 586 5.785 -1.616 -11.499 273 HD13 ILE 586 3HD1 ILE 586 7.430 -2.250 -11.504 274 H GLY 587 H GLY 587 7.827 -3.326 -6.680 275 HA2 GLY 587 1HA GLY 587 10.667 -2.582 -6.922 276 HA3 GLY 587 2HA GLY 587 10.103 -3.435 -5.492 277 H GLU 588 H GLU 588 9.658 -5.618 -5.601 278 HA GLU 588 HA GLU 588 9.883 -6.974 -8.170 279 HB2 GLU 588 1HB GLU 588 12.189 -6.888 -7.422 280 HB3 GLU 588 2HB GLU 588 11.737 -7.520 -5.846 281 HG2 GLU 588 1HG GLU 588 10.987 -9.608 -6.967 282 HG3 GLU 588 2HG GLU 588 11.631 -8.970 -8.478 283 H GLY 589 H GLY 589 10.180 -8.110 -4.813 284 HA2 GLY 589 1HA GLY 589 8.334 -10.228 -5.205 285 HA3 GLY 589 2HA GLY 589 8.977 -9.692 -3.660 286 H GLY 590 H GLY 590 7.216 -9.557 -2.391 287 HA2 GLY 590 1HA GLY 590 4.769 -8.357 -3.433 288 HA3 GLY 590 2HA GLY 590 4.956 -9.160 -1.881 289 H PHE 591 H PHE 591 7.045 -6.612 -3.119 290 HA PHE 591 HA PHE 591 5.967 -4.811 -1.051 291 HB2 PHE 591 1HB PHE 591 8.578 -5.903 -1.217 292 HB3 PHE 591 2HB PHE 591 8.708 -4.195 -1.618 293 HD1 PHE 591 1HD PHE 591 7.840 -6.619 0.977 294 HD2 PHE 591 2HD PHE 591 8.235 -2.491 0.018 295 HE1 PHE 591 1HE PHE 591 7.743 -6.058 3.371 296 HE2 PHE 591 2HE PHE 591 8.139 -1.923 2.410 297 HZ PHE 591 HZ PHE 591 7.894 -3.706 4.091 298 H TRP 592 H TRP 592 5.667 -2.700 -1.601 299 HA TRP 592 HA TRP 592 6.781 -1.576 -4.000 300 HB2 TRP 592 1HB TRP 592 4.585 -1.105 -5.065 301 HB3 TRP 592 2HB TRP 592 4.967 -2.824 -5.012 302 HD1 TRP 592 HD TRP 592 3.923 -2.038 -1.639 303 HE1 TRP 592 1HE TRP 592 1.437 -2.582 -1.260 304 HE3 TRP 592 3HE TRP 592 2.451 -2.541 -6.508 305 HZ2 TRP 592 2HZ TRP 592 -0.846 -3.151 -2.818 306 HZ3 TRP 592 3HZ TRP 592 0.097 -3.087 -6.979 307 HH2 TRP 592 HH TRP 592 -1.515 -3.385 -5.170 308 H GLU 593 H GLU 593 5.837 0.680 -4.380 309 HA GLU 593 HA GLU 593 5.520 1.954 -1.756 310 HB2 GLU 593 1HB GLU 593 7.063 2.577 -4.075 311 HB3 GLU 593 2HB GLU 593 5.915 3.881 -3.811 312 HG2 GLU 593 1HG GLU 593 7.216 3.031 -1.360 313 HG3 GLU 593 2HG GLU 593 8.358 3.583 -2.584 314 H GLY 594 H GLY 594 3.853 3.360 -1.308 315 HA2 GLY 594 1HA GLY 594 1.931 4.058 -3.364 316 HA3 GLY 594 2HA GLY 594 1.337 2.932 -2.152 317 H GLN 595 H GLN 595 -0.206 4.797 -1.890 318 HA GLN 595 HA GLN 595 0.836 6.578 0.198 319 HB2 GLN 595 1HB GLN 595 0.723 8.020 -1.675 320 HB3 GLN 595 2HB GLN 595 -0.814 7.347 -2.198 321 HG2 GLN 595 1HG GLN 595 -2.013 8.478 -0.562 322 HG3 GLN 595 2HG GLN 595 -0.578 8.764 0.424 323 HE21 GLN 595 1HE2 GLN 595 -0.978 12.027 -0.859 324 HE22 GLN 595 2HE2 GLN 595 -1.375 10.972 0.452 325 H VAL 596 H VAL 596 -0.453 6.818 1.948 326 HA VAL 596 HA VAL 596 -3.202 5.783 1.801 327 HB VAL 596 HB VAL 596 -1.876 4.001 2.774 328 HG11 VAL 596 1HG1 VAL 596 -0.422 6.124 3.934 329 HG12 VAL 596 2HG1 VAL 596 -1.094 5.169 5.258 330 HG13 VAL 596 3HG1 VAL 596 -0.090 4.395 4.030 331 HG21 VAL 596 1HG2 VAL 596 -3.094 5.009 5.247 332 HG22 VAL 596 2HG2 VAL 596 -4.152 5.036 3.836 333 HG23 VAL 596 3HG2 VAL 596 -3.408 3.523 4.351 334 H LYS 597 H LYS 597 -4.507 7.404 2.309 335 HA LYS 597 HA LYS 597 -5.181 9.455 3.118 336 HB2 LYS 597 1HB LYS 597 -5.232 9.411 5.669 337 HB3 LYS 597 2HB LYS 597 -6.050 8.096 4.835 338 HG2 LYS 597 1HG LYS 597 -4.915 6.989 6.502 339 HG3 LYS 597 2HG LYS 597 -3.805 6.838 5.138 340 HD2 LYS 597 1HD LYS 597 -2.583 7.454 7.141 341 HD3 LYS 597 2HD LYS 597 -2.547 8.783 5.979 342 HE2 LYS 597 1HE LYS 597 -3.265 10.095 7.630 343 HE3 LYS 597 2HE LYS 597 -4.816 9.269 7.492 344 HZ1 LYS 597 1HZ LYS 597 -2.587 8.557 9.320 345 HZ2 LYS 597 2HZ LYS 597 -3.995 7.639 9.129 346 HZ3 LYS 597 3HZ LYS 597 -4.086 9.207 9.757 347 H GLY 598 H GLY 598 -2.464 9.537 2.244 348 HA2 GLY 598 1HA GLY 598 -1.246 11.663 2.381 349 HA3 GLY 598 2HA GLY 598 -1.410 11.555 4.128 350 H ARG 599 H ARG 599 -0.632 9.070 4.749 351 HA ARG 599 HA ARG 599 2.151 9.196 4.682 352 HB2 ARG 599 1HB ARG 599 0.137 7.186 5.502 353 HB3 ARG 599 2HB ARG 599 1.754 6.571 5.182 354 HG2 ARG 599 1HG ARG 599 2.343 8.699 6.728 355 HG3 ARG 599 2HG ARG 599 0.767 8.249 7.382 356 HD2 ARG 599 1HD ARG 599 1.499 6.110 7.985 357 HD3 ARG 599 2HD ARG 599 2.916 6.206 6.939 358 HE ARG 599 HE ARG 599 2.706 7.126 9.633 359 HH11 ARG 599 1HH1 ARG 599 5.663 8.462 7.287 360 HH12 ARG 599 2HH1 ARG 599 4.274 7.704 6.580 361 HH21 ARG 599 1HH2 ARG 599 5.807 8.698 9.560 362 HH22 ARG 599 2HH2 ARG 599 4.528 8.121 10.577 363 H VAL 600 H VAL 600 3.275 9.178 2.834 364 HA VAL 600 HA VAL 600 2.670 7.073 0.860 365 HB VAL 600 HB VAL 600 4.138 9.655 0.321 366 HG11 VAL 600 1HG1 VAL 600 2.870 7.704 -1.595 367 HG12 VAL 600 2HG1 VAL 600 3.863 9.106 -1.995 368 HG13 VAL 600 3HG1 VAL 600 4.584 7.717 -1.181 369 HG21 VAL 600 1HG2 VAL 600 1.333 9.204 0.694 370 HG22 VAL 600 2HG2 VAL 600 2.178 10.707 0.327 371 HG23 VAL 600 3HG2 VAL 600 1.647 9.651 -0.982 372 H GLY 601 H GLY 601 4.104 5.480 0.766 373 HA2 GLY 601 1HA GLY 601 6.897 5.894 0.595 374 HA3 GLY 601 2HA GLY 601 6.480 5.373 2.221 375 H TRP 602 H TRP 602 7.635 3.437 1.970 376 HA TRP 602 HA TRP 602 6.632 1.560 -0.044 377 HB2 TRP 602 1HB TRP 602 9.024 1.334 1.798 378 HB3 TRP 602 2HB TRP 602 8.590 0.192 0.529 379 HD1 TRP 602 HD TRP 602 9.258 4.027 0.655 380 HE1 TRP 602 1HE TRP 602 10.699 4.636 -1.389 381 HE3 TRP 602 3HE TRP 602 9.648 -0.605 -1.472 382 HZ2 TRP 602 2HZ TRP 602 11.849 3.327 -3.609 383 HZ3 TRP 602 3HZ TRP 602 10.937 -0.841 -3.555 384 HH2 TRP 602 HH TRP 602 12.012 1.085 -4.601 385 H PHE 603 H PHE 603 5.990 -0.569 0.537 386 HA PHE 603 HA PHE 603 5.767 -1.502 3.177 387 HB2 PHE 603 1HB PHE 603 3.377 -1.238 3.581 388 HB3 PHE 603 2HB PHE 603 4.133 0.339 3.383 389 HD1 PHE 603 1HD PHE 603 3.597 1.750 1.525 390 HD2 PHE 603 2HD PHE 603 1.911 -2.144 1.854 391 HE1 PHE 603 1HE PHE 603 1.968 2.312 -0.230 392 HE2 PHE 603 2HE PHE 603 0.280 -1.589 0.098 393 HZ PHE 603 HZ PHE 603 0.307 0.640 -0.947 394 HA PRO 604 HA PRO 604 4.883 -5.228 1.036 395 HB2 PRO 604 1HB PRO 604 3.489 -6.619 2.906 396 HB3 PRO 604 2HB PRO 604 5.228 -6.323 3.026 397 HG2 PRO 604 1HG PRO 604 2.965 -4.885 4.360 398 HG3 PRO 604 2HG PRO 604 4.520 -5.401 5.040 399 HD2 PRO 604 1HD PRO 604 4.043 -2.850 4.267 400 HD3 PRO 604 2HD PRO 604 5.650 -3.599 4.155 401 H SER 605 H SER 605 3.437 -5.819 -0.458 402 HA SER 605 HA SER 605 0.884 -4.551 -0.599 403 HB2 SER 605 1HB SER 605 0.898 -5.220 -2.761 404 HB3 SER 605 2HB SER 605 2.574 -5.665 -2.444 405 HG SER 605 HG SER 605 0.629 -7.255 -3.178 406 H ASP 606 H ASP 606 1.967 -7.219 1.087 407 HA ASP 606 HA ASP 606 -0.082 -9.090 0.836 408 HB2 ASP 606 1HB ASP 606 1.984 -9.568 2.048 409 HB3 ASP 606 2HB ASP 606 1.554 -8.389 3.283 410 H CYS 607 H CYS 607 0.054 -6.086 2.625 411 HA CYS 607 HA CYS 607 -2.456 -6.617 3.985 412 HB2 CYS 607 1HB CYS 607 -0.912 -4.024 3.957 413 HB3 CYS 607 2HB CYS 607 -2.097 -4.561 5.142 414 HG CYS 607 HG CYS 607 0.086 -6.864 5.277 415 H LEU 608 H LEU 608 -1.701 -5.786 0.938 416 HA LEU 608 HA LEU 608 -3.972 -3.935 0.645 417 HB2 LEU 608 1HB LEU 608 -1.352 -4.123 -0.619 418 HB3 LEU 608 2HB LEU 608 -2.670 -3.974 -1.780 419 HG LEU 608 HG LEU 608 -1.582 -1.819 -1.121 420 HD11 LEU 608 1HD1 LEU 608 -4.142 -1.089 -0.244 421 HD12 LEU 608 2HD1 LEU 608 -4.368 -2.469 -1.318 422 HD13 LEU 608 3HD1 LEU 608 -3.509 -1.040 -1.889 423 HD21 LEU 608 1HD2 LEU 608 -1.613 -2.738 1.391 424 HD22 LEU 608 2HD2 LEU 608 -3.109 -1.806 1.412 425 HD23 LEU 608 3HD2 LEU 608 -1.584 -1.020 0.998 426 H GLU 609 H GLU 609 -5.429 -4.252 -1.123 427 HA GLU 609 HA GLU 609 -5.349 -6.740 -2.588 428 HB2 GLU 609 1HB GLU 609 -7.157 -6.316 -0.267 429 HB3 GLU 609 2HB GLU 609 -7.843 -7.090 -1.688 430 HG2 GLU 609 1HG GLU 609 -5.474 -8.028 -0.089 431 HG3 GLU 609 2HG GLU 609 -7.076 -8.765 -0.150 432 H GLU 610 H GLU 610 -6.486 -6.641 -4.466 433 HA GLU 610 HA GLU 610 -7.248 -4.147 -5.479 434 HB2 GLU 610 1HB GLU 610 -6.571 -6.166 -6.817 435 HB3 GLU 610 2HB GLU 610 -8.166 -6.834 -6.508 436 HG2 GLU 610 1HG GLU 610 -9.083 -4.705 -7.556 437 HG3 GLU 610 2HG GLU 610 -7.439 -4.416 -8.123 438 H VAL 611 H VAL 611 -9.215 -3.167 -5.826 439 HA VAL 611 HA VAL 611 -11.267 -3.723 -3.928 440 HB VAL 611 HB VAL 611 -11.450 -1.880 -6.313 441 HG11 VAL 611 1HG1 VAL 611 -12.990 -2.163 -3.754 442 HG12 VAL 611 2HG1 VAL 611 -12.965 -0.645 -4.653 443 HG13 VAL 611 3HG1 VAL 611 -13.593 -2.109 -5.410 444 HG21 VAL 611 1HG2 VAL 611 -10.627 -0.113 -4.878 445 HG22 VAL 611 2HG2 VAL 611 -10.454 -1.245 -3.536 446 HG23 VAL 611 3HG2 VAL 611 -9.437 -1.412 -4.968 447 H ALA 612 H ALA 612 -12.878 -5.124 -4.103 448 HA ALA 612 HA ALA 612 -13.492 -6.278 -6.717 449 HB1 ALA 612 1HB ALA 612 -14.242 -8.151 -5.636 450 HB2 ALA 612 2HB ALA 612 -13.050 -7.574 -4.471 451 HB3 ALA 612 3HB ALA 612 -14.765 -7.254 -4.210 452 H ASN 613 H ASN 613 -15.116 -5.467 -7.856 453 HA ASN 613 HA ASN 613 -17.093 -3.760 -6.638 454 HB2 ASN 613 1HB ASN 613 -17.828 -3.286 -8.858 455 HB3 ASN 613 2HB ASN 613 -16.071 -3.370 -8.916 456 HD21 ASN 613 1HD2 ASN 613 -18.223 -5.633 -11.333 457 HD22 ASN 613 2HD2 ASN 613 -18.812 -4.268 -10.452 Start of MODEL 15 1 H1 MET 553 H MET 553 5.151 1.325 -17.089 2 HA MET 553 HA MET 553 6.170 -1.163 -15.927 3 HB2 MET 553 1HB MET 553 7.027 1.715 -15.716 4 HB3 MET 553 2HB MET 553 7.635 0.487 -14.614 5 HG2 MET 553 1HG MET 553 8.811 -0.611 -16.267 6 HG3 MET 553 2HG MET 553 7.824 0.067 -17.561 7 HE1 MET 553 1HE MET 553 11.218 0.067 -16.139 8 HE2 MET 553 2HE MET 553 11.643 1.743 -15.788 9 HE3 MET 553 3HE MET 553 10.461 0.904 -14.782 10 H VAL 554 H VAL 554 4.821 1.945 -14.809 11 HA VAL 554 HA VAL 554 3.991 0.638 -12.320 12 HB VAL 554 HB VAL 554 5.241 2.704 -12.035 13 HG11 VAL 554 1HG1 VAL 554 3.773 3.559 -14.272 14 HG12 VAL 554 2HG1 VAL 554 3.301 4.611 -12.935 15 HG13 VAL 554 3HG1 VAL 554 5.002 4.454 -13.379 16 HG21 VAL 554 1HG2 VAL 554 2.316 2.929 -11.342 17 HG22 VAL 554 2HG2 VAL 554 3.599 2.234 -10.351 18 HG23 VAL 554 3HG2 VAL 554 3.577 3.968 -10.676 19 HA PRO 555 HA PRO 555 -0.181 0.408 -13.771 20 HB2 PRO 555 1HB PRO 555 -1.352 -0.117 -11.380 21 HB3 PRO 555 2HB PRO 555 -0.431 -1.324 -12.284 22 HG2 PRO 555 1HG PRO 555 0.424 0.370 -9.967 23 HG3 PRO 555 2HG PRO 555 0.731 -1.351 -10.268 24 HD2 PRO 555 1HD PRO 555 2.582 0.565 -10.749 25 HD3 PRO 555 2HD PRO 555 2.467 -0.916 -11.721 26 H GLY 556 H GLY 556 -2.375 1.315 -13.086 27 HA2 GLY 556 1HA GLY 556 -2.088 3.953 -11.807 28 HA3 GLY 556 2HA GLY 556 -2.846 3.823 -13.387 29 H ARG 557 H ARG 557 -3.264 1.418 -10.882 30 HA ARG 557 HA ARG 557 -6.060 2.305 -10.588 31 HB2 ARG 557 1HB ARG 557 -6.472 -0.168 -10.031 32 HB3 ARG 557 2HB ARG 557 -6.187 0.253 -11.714 33 HG2 ARG 557 1HG ARG 557 -4.010 -0.624 -11.678 34 HG3 ARG 557 2HG ARG 557 -3.984 -0.697 -9.915 35 HD2 ARG 557 1HD ARG 557 -4.709 -2.792 -10.016 36 HD3 ARG 557 2HD ARG 557 -6.198 -2.219 -10.765 37 HE ARG 557 HE ARG 557 -3.978 -3.507 -12.073 38 HH11 ARG 557 1HH1 ARG 557 -6.964 -1.837 -14.151 39 HH12 ARG 557 2HH1 ARG 557 -6.770 -1.466 -12.469 40 HH21 ARG 557 1HH2 ARG 557 -5.515 -3.282 -15.183 41 HH22 ARG 557 2HH2 ARG 557 -4.223 -4.004 -14.285 42 H SER 558 H SER 558 -7.032 2.102 -8.540 43 HA SER 558 HA SER 558 -5.147 2.356 -6.344 44 HB2 SER 558 1HB SER 558 -8.154 2.597 -6.199 45 HB3 SER 558 2HB SER 558 -6.961 3.254 -5.078 46 HG SER 558 HG SER 558 -7.186 4.977 -6.271 47 H PHE 559 H PHE 559 -5.853 1.352 -4.199 48 HA PHE 559 HA PHE 559 -7.122 -1.253 -4.480 49 HB2 PHE 559 1HB PHE 559 -4.231 -0.841 -3.778 50 HB3 PHE 559 2HB PHE 559 -5.114 -2.226 -3.143 51 HD1 PHE 559 1HD PHE 559 -3.936 -0.581 -6.222 52 HD2 PHE 559 2HD PHE 559 -5.627 -4.090 -4.508 53 HE1 PHE 559 1HE PHE 559 -3.517 -1.800 -8.317 54 HE2 PHE 559 2HE PHE 559 -5.209 -5.317 -6.599 55 HZ PHE 559 HZ PHE 559 -4.152 -4.173 -8.507 56 H MET 560 H MET 560 -7.559 -2.280 -2.398 57 HA MET 560 HA MET 560 -7.838 -0.272 -0.262 58 HB2 MET 560 1HB MET 560 -9.970 -1.088 -1.157 59 HB3 MET 560 2HB MET 560 -9.498 -2.742 -0.793 60 HG2 MET 560 1HG MET 560 -9.211 -1.650 1.636 61 HG3 MET 560 2HG MET 560 -10.477 -0.610 0.988 62 HE1 MET 560 1HE MET 560 -9.241 -3.633 2.311 63 HE2 MET 560 2HE MET 560 -10.683 -4.101 3.212 64 HE3 MET 560 3HE MET 560 -10.243 -4.966 1.738 65 H ALA 561 H ALA 561 -6.938 -0.635 1.678 66 HA ALA 561 HA ALA 561 -5.216 -2.929 1.992 67 HB1 ALA 561 1HB ALA 561 -4.047 -1.477 3.193 68 HB2 ALA 561 2HB ALA 561 -5.343 -0.291 3.049 69 HB3 ALA 561 3HB ALA 561 -5.339 -1.433 4.392 70 H VAL 562 H VAL 562 -5.874 -4.800 2.796 71 HA VAL 562 HA VAL 562 -8.373 -5.013 4.229 72 HB VAL 562 HB VAL 562 -7.862 -7.454 4.271 73 HG11 VAL 562 1HG1 VAL 562 -9.197 -6.919 2.480 74 HG12 VAL 562 2HG1 VAL 562 -7.986 -5.861 1.753 75 HG13 VAL 562 3HG1 VAL 562 -7.801 -7.612 1.655 76 HG21 VAL 562 1HG2 VAL 562 -5.383 -7.163 4.281 77 HG22 VAL 562 2HG2 VAL 562 -5.968 -8.333 3.098 78 HG23 VAL 562 3HG2 VAL 562 -5.480 -6.722 2.575 79 H LYS 563 H LYS 563 -5.206 -4.380 5.087 80 HA LYS 563 HA LYS 563 -5.792 -4.706 7.884 81 HB2 LYS 563 1HB LYS 563 -3.798 -6.125 8.343 82 HB3 LYS 563 2HB LYS 563 -5.062 -6.958 7.449 83 HG2 LYS 563 1HG LYS 563 -3.540 -5.999 5.421 84 HG3 LYS 563 2HG LYS 563 -2.319 -6.289 6.662 85 HD2 LYS 563 1HD LYS 563 -4.362 -8.316 5.757 86 HD3 LYS 563 2HD LYS 563 -2.698 -8.239 5.173 87 HE2 LYS 563 1HE LYS 563 -1.978 -8.453 7.585 88 HE3 LYS 563 2HE LYS 563 -3.659 -8.820 7.967 89 HZ1 LYS 563 1HZ LYS 563 -1.744 -10.608 7.182 90 HZ2 LYS 563 2HZ LYS 563 -2.693 -10.399 5.798 91 HZ3 LYS 563 3HZ LYS 563 -3.410 -10.892 7.248 92 H SER 564 H SER 564 -4.250 -3.662 9.251 93 HA SER 564 HA SER 564 -2.919 -1.465 7.923 94 HB2 SER 564 1HB SER 564 -2.515 -0.628 10.209 95 HB3 SER 564 2HB SER 564 -4.212 -1.038 9.961 96 HG SER 564 HG SER 564 -3.967 -2.236 11.664 97 H TYR 565 H TYR 565 -0.703 -0.811 8.783 98 HA TYR 565 HA TYR 565 1.028 -3.068 9.418 99 HB2 TYR 565 1HB TYR 565 1.032 -3.100 6.996 100 HB3 TYR 565 2HB TYR 565 1.362 -1.373 6.936 101 HD1 TYR 565 1HD TYR 565 2.833 -4.486 8.396 102 HD2 TYR 565 2HD TYR 565 3.540 -0.716 6.553 103 HE1 TYR 565 1HE TYR 565 5.247 -4.957 8.373 104 HE2 TYR 565 2HE TYR 565 5.956 -1.177 6.523 105 HH TYR 565 HH TYR 565 7.486 -2.989 6.634 106 H GLN 566 H GLN 566 2.975 -2.486 10.381 107 HA GLN 566 HA GLN 566 3.113 0.323 11.232 108 HB2 GLN 566 1HB GLN 566 2.897 -1.640 12.905 109 HB3 GLN 566 2HB GLN 566 4.593 -1.936 12.546 110 HG2 GLN 566 1HG GLN 566 4.995 0.490 13.168 111 HG3 GLN 566 2HG GLN 566 3.356 0.482 13.818 112 HE21 GLN 566 1HE2 GLN 566 5.505 -0.238 16.651 113 HE22 GLN 566 2HE2 GLN 566 5.129 1.082 15.603 114 H ALA 567 H ALA 567 4.447 1.430 9.945 115 HA ALA 567 HA ALA 567 6.481 0.469 8.351 116 HB1 ALA 567 1HB ALA 567 5.392 2.885 8.690 117 HB2 ALA 567 2HB ALA 567 6.917 3.141 9.541 118 HB3 ALA 567 3HB ALA 567 6.923 2.633 7.851 119 H GLN 568 H GLN 568 8.483 -0.262 8.680 120 HA GLN 568 HA GLN 568 9.665 0.106 11.353 121 HB2 GLN 568 1HB GLN 568 10.227 -2.171 9.455 122 HB3 GLN 568 2HB GLN 568 10.724 -2.035 11.134 123 HG2 GLN 568 1HG GLN 568 8.178 -1.939 11.614 124 HG3 GLN 568 2HG GLN 568 8.030 -2.641 10.005 125 HE21 GLN 568 1HE2 GLN 568 9.575 -5.724 10.927 126 HE22 GLN 568 2HE2 GLN 568 9.486 -4.574 9.640 127 H ALA 569 H ALA 569 10.078 0.494 7.962 128 HA ALA 569 HA ALA 569 12.923 1.148 8.310 129 HB1 ALA 569 1HB ALA 569 13.234 0.113 6.376 130 HB2 ALA 569 2HB ALA 569 11.504 -0.213 6.265 131 HB3 ALA 569 3HB ALA 569 12.168 1.270 5.578 132 H GLU 570 H GLU 570 13.749 3.132 7.645 133 HA GLU 570 HA GLU 570 12.251 5.398 8.134 134 HB2 GLU 570 1HB GLU 570 14.092 6.655 7.406 135 HB3 GLU 570 2HB GLU 570 14.797 5.142 7.960 136 HG2 GLU 570 1HG GLU 570 14.213 5.854 5.093 137 HG3 GLU 570 2HG GLU 570 15.795 5.916 5.869 138 H GLY 571 H GLY 571 12.671 3.628 5.143 139 HA2 GLY 571 1HA GLY 571 11.287 5.683 3.603 140 HA3 GLY 571 2HA GLY 571 11.992 4.203 2.968 141 H GLU 572 H GLU 572 10.517 2.844 5.339 142 HA GLU 572 HA GLU 572 8.188 2.157 3.786 143 HB2 GLU 572 1HB GLU 572 9.543 1.113 6.205 144 HB3 GLU 572 2HB GLU 572 7.810 0.832 6.104 145 HG2 GLU 572 1HG GLU 572 8.796 -1.066 5.165 146 HG3 GLU 572 2HG GLU 572 8.241 -0.110 3.792 147 H ILE 573 H ILE 573 6.009 2.141 4.701 148 HA ILE 573 HA ILE 573 5.552 4.269 6.680 149 HB ILE 573 HB ILE 573 3.525 4.942 5.362 150 HG12 ILE 573 1HG1 ILE 573 4.675 3.920 2.856 151 HG13 ILE 573 2HG1 ILE 573 4.026 2.671 3.912 152 HG21 ILE 573 1HG2 ILE 573 6.280 5.326 4.221 153 HG22 ILE 573 2HG2 ILE 573 4.869 6.200 3.627 154 HG23 ILE 573 3HG2 ILE 573 5.387 6.394 5.302 155 HD11 ILE 573 1HD1 ILE 573 1.940 3.204 3.390 156 HD12 ILE 573 2HD1 ILE 573 2.227 4.921 3.676 157 HD13 ILE 573 3HD1 ILE 573 2.617 4.211 2.109 158 H SER 574 H SER 574 3.214 4.232 7.458 159 HA SER 574 HA SER 574 2.582 1.487 8.185 160 HB2 SER 574 1HB SER 574 0.723 3.165 9.416 161 HB3 SER 574 2HB SER 574 2.190 2.511 10.143 162 HG SER 574 HG SER 574 2.663 4.561 10.328 163 H LEU 575 H LEU 575 0.111 1.068 8.434 164 HA LEU 575 HA LEU 575 -1.359 2.109 6.121 165 HB2 LEU 575 1HB LEU 575 -0.436 -0.635 6.554 166 HB3 LEU 575 2HB LEU 575 -2.154 -0.507 6.182 167 HG LEU 575 HG LEU 575 -1.269 0.980 4.193 168 HD11 LEU 575 1HD1 LEU 575 0.859 0.351 3.357 169 HD12 LEU 575 2HD1 LEU 575 1.054 -0.890 4.593 170 HD13 LEU 575 3HD1 LEU 575 1.089 0.815 5.043 171 HD21 LEU 575 1HD2 LEU 575 -2.004 -1.746 4.537 172 HD22 LEU 575 2HD2 LEU 575 -0.716 -1.664 3.336 173 HD23 LEU 575 3HD2 LEU 575 -2.191 -0.723 3.112 174 H SER 576 H SER 576 -3.708 1.275 6.208 175 HA SER 576 HA SER 576 -4.667 0.895 8.940 176 HB2 SER 576 1HB SER 576 -5.163 3.308 7.247 177 HB3 SER 576 2HB SER 576 -6.469 2.721 8.279 178 HG SER 576 HG SER 576 -3.846 3.409 9.122 179 H LYS 577 H LYS 577 -6.196 -0.607 8.983 180 HA LYS 577 HA LYS 577 -7.100 -1.988 6.754 181 HB2 LYS 577 1HB LYS 577 -7.240 -2.464 9.370 182 HB3 LYS 577 2HB LYS 577 -8.874 -1.854 9.145 183 HG2 LYS 577 1HG LYS 577 -7.889 -3.945 7.280 184 HG3 LYS 577 2HG LYS 577 -8.308 -4.416 8.929 185 HD2 LYS 577 1HD LYS 577 -10.452 -2.912 8.319 186 HD3 LYS 577 2HD LYS 577 -10.037 -3.510 6.711 187 HE2 LYS 577 1HE LYS 577 -11.582 -5.051 7.655 188 HE3 LYS 577 2HE LYS 577 -9.996 -5.820 7.688 189 HZ1 LYS 577 1HZ LYS 577 -10.566 -4.336 10.073 190 HZ2 LYS 577 2HZ LYS 577 -10.032 -5.931 9.897 191 HZ3 LYS 577 3HZ LYS 577 -11.684 -5.575 9.800 192 H GLY 578 H GLY 578 -8.628 -1.646 5.267 193 HA2 GLY 578 1HA GLY 578 -10.666 -0.899 4.397 194 HA3 GLY 578 2HA GLY 578 -10.916 0.047 5.856 195 H GLU 579 H GLU 579 -7.908 0.855 5.142 196 HA GLU 579 HA GLU 579 -8.708 3.331 3.889 197 HB2 GLU 579 1HB GLU 579 -6.846 2.811 5.736 198 HB3 GLU 579 2HB GLU 579 -5.836 2.679 4.304 199 HG2 GLU 579 1HG GLU 579 -5.795 4.921 5.304 200 HG3 GLU 579 2HG GLU 579 -6.387 4.922 3.644 201 H LYS 580 H LYS 580 -8.445 3.905 1.817 202 HA LYS 580 HA LYS 580 -7.657 1.901 -0.091 203 HB2 LYS 580 1HB LYS 580 -9.421 3.979 -0.163 204 HB3 LYS 580 2HB LYS 580 -8.062 4.655 -1.052 205 HG2 LYS 580 1HG LYS 580 -9.616 3.625 -2.578 206 HG3 LYS 580 2HG LYS 580 -8.103 2.713 -2.558 207 HD2 LYS 580 1HD LYS 580 -10.070 1.239 -2.541 208 HD3 LYS 580 2HD LYS 580 -9.093 1.056 -1.082 209 HE2 LYS 580 1HE LYS 580 -11.319 3.021 -1.024 210 HE3 LYS 580 2HE LYS 580 -11.737 1.308 -0.998 211 HZ1 LYS 580 1HZ LYS 580 -11.319 1.340 1.163 212 HZ2 LYS 580 2HZ LYS 580 -10.733 2.925 1.096 213 HZ3 LYS 580 3HZ LYS 580 -9.686 1.625 0.823 214 H ILE 581 H ILE 581 -5.584 1.511 -0.492 215 HA ILE 581 HA ILE 581 -3.638 3.688 -0.285 216 HB ILE 581 HB ILE 581 -2.877 0.849 -0.847 217 HG12 ILE 581 1HG1 ILE 581 -4.435 0.648 1.000 218 HG13 ILE 581 2HG1 ILE 581 -2.794 0.447 1.606 219 HG21 ILE 581 1HG2 ILE 581 -1.611 3.273 0.336 220 HG22 ILE 581 2HG2 ILE 581 -1.029 1.677 0.813 221 HG23 ILE 581 3HG2 ILE 581 -0.991 2.159 -0.884 222 HD11 ILE 581 1HD1 ILE 581 -3.222 2.000 3.115 223 HD12 ILE 581 2HD1 ILE 581 -3.377 3.181 1.816 224 HD13 ILE 581 3HD1 ILE 581 -4.800 2.316 2.397 225 H LYS 582 H LYS 582 -2.487 4.450 -1.981 226 HA LYS 582 HA LYS 582 -3.117 3.322 -4.629 227 HB2 LYS 582 1HB LYS 582 -4.015 5.534 -4.469 228 HB3 LYS 582 2HB LYS 582 -2.517 6.158 -3.788 229 HG2 LYS 582 1HG LYS 582 -2.836 6.795 -6.139 230 HG3 LYS 582 2HG LYS 582 -1.377 5.835 -5.887 231 HD2 LYS 582 1HD LYS 582 -2.316 3.935 -6.872 232 HD3 LYS 582 2HD LYS 582 -3.963 4.547 -6.700 233 HE2 LYS 582 1HE LYS 582 -3.746 5.999 -8.495 234 HE3 LYS 582 2HE LYS 582 -1.985 6.009 -8.403 235 HZ1 LYS 582 1HZ LYS 582 -3.045 4.718 -10.293 236 HZ2 LYS 582 2HZ LYS 582 -3.487 3.569 -9.135 237 HZ3 LYS 582 3HZ LYS 582 -1.853 3.917 -9.399 238 H VAL 583 H VAL 583 -1.469 2.119 -5.315 239 HA VAL 583 HA VAL 583 1.213 2.453 -4.431 240 HB VAL 583 HB VAL 583 0.371 0.265 -5.122 241 HG11 VAL 583 1HG1 VAL 583 -1.071 1.180 -6.970 242 HG12 VAL 583 2HG1 VAL 583 0.390 1.287 -7.955 243 HG13 VAL 583 3HG1 VAL 583 -0.170 -0.280 -7.369 244 HG21 VAL 583 1HG2 VAL 583 2.782 1.500 -6.237 245 HG22 VAL 583 2HG2 VAL 583 2.593 0.008 -5.315 246 HG23 VAL 583 3HG2 VAL 583 2.279 0.017 -7.051 247 H LEU 584 H LEU 584 2.713 3.808 -5.148 248 HA LEU 584 HA LEU 584 2.291 5.119 -7.747 249 HB2 LEU 584 1HB LEU 584 3.988 6.055 -5.441 250 HB3 LEU 584 2HB LEU 584 3.630 6.949 -6.917 251 HG LEU 584 HG LEU 584 1.548 6.163 -4.883 252 HD11 LEU 584 1HD1 LEU 584 3.039 8.763 -5.204 253 HD12 LEU 584 2HD1 LEU 584 3.128 7.660 -3.831 254 HD13 LEU 584 3HD1 LEU 584 1.627 8.520 -4.175 255 HD21 LEU 584 1HD2 LEU 584 0.420 8.161 -6.104 256 HD22 LEU 584 2HD2 LEU 584 0.409 6.564 -6.853 257 HD23 LEU 584 3HD2 LEU 584 1.562 7.785 -7.395 258 H SER 585 H SER 585 4.420 3.125 -5.907 259 HA SER 585 HA SER 585 6.186 2.899 -8.228 260 HB2 SER 585 1HB SER 585 6.920 4.112 -5.697 261 HB3 SER 585 2HB SER 585 7.927 2.707 -6.048 262 HG SER 585 HG SER 585 8.435 4.972 -6.949 263 H ILE 586 H ILE 586 7.760 1.020 -7.889 264 HA ILE 586 HA ILE 586 6.749 -1.070 -6.137 265 HB ILE 586 HB ILE 586 6.615 -2.719 -7.983 266 HG12 ILE 586 1HG1 ILE 586 6.132 -1.029 -10.189 267 HG13 ILE 586 2HG1 ILE 586 7.653 -0.490 -9.486 268 HG21 ILE 586 1HG2 ILE 586 4.611 -1.599 -7.066 269 HG22 ILE 586 2HG2 ILE 586 4.740 -0.386 -8.339 270 HG23 ILE 586 3HG2 ILE 586 4.424 -2.070 -8.755 271 HD11 ILE 586 1HD1 ILE 586 7.450 -2.452 -11.303 272 HD12 ILE 586 2HD1 ILE 586 8.747 -2.349 -10.112 273 HD13 ILE 586 3HD1 ILE 586 7.359 -3.396 -9.816 274 H GLY 587 H GLY 587 8.110 -3.185 -6.672 275 HA2 GLY 587 1HA GLY 587 10.831 -2.581 -7.494 276 HA3 GLY 587 2HA GLY 587 10.627 -2.960 -5.790 277 H GLU 588 H GLU 588 10.059 -5.062 -5.169 278 HA GLU 588 HA GLU 588 9.825 -7.099 -7.233 279 HB2 GLU 588 1HB GLU 588 12.318 -6.609 -6.504 280 HB3 GLU 588 2HB GLU 588 11.876 -7.596 -5.119 281 HG2 GLU 588 1HG GLU 588 11.153 -8.721 -7.733 282 HG3 GLU 588 2HG GLU 588 12.883 -8.563 -7.427 283 H GLY 589 H GLY 589 9.389 -9.275 -6.270 284 HA2 GLY 589 1HA GLY 589 8.018 -10.580 -4.968 285 HA3 GLY 589 2HA GLY 589 8.775 -9.753 -3.614 286 H GLY 590 H GLY 590 6.902 -9.700 -2.374 287 HA2 GLY 590 1HA GLY 590 4.549 -8.369 -3.479 288 HA3 GLY 590 2HA GLY 590 4.650 -9.182 -1.923 289 H PHE 591 H PHE 591 6.851 -6.719 -3.170 290 HA PHE 591 HA PHE 591 5.874 -4.891 -1.077 291 HB2 PHE 591 1HB PHE 591 8.422 -6.096 -1.246 292 HB3 PHE 591 2HB PHE 591 8.642 -4.405 -1.688 293 HD1 PHE 591 1HD PHE 591 8.347 -2.653 -0.084 294 HD2 PHE 591 2HD PHE 591 7.603 -6.709 0.967 295 HE1 PHE 591 1HE PHE 591 8.307 -2.024 2.293 296 HE2 PHE 591 2HE PHE 591 7.561 -6.087 3.348 297 HZ PHE 591 HZ PHE 591 7.912 -3.743 4.014 298 H TRP 592 H TRP 592 5.632 -2.774 -1.622 299 HA TRP 592 HA TRP 592 6.790 -1.660 -4.000 300 HB2 TRP 592 1HB TRP 592 4.639 -1.155 -5.117 301 HB3 TRP 592 2HB TRP 592 4.956 -2.884 -5.031 302 HD1 TRP 592 HD TRP 592 3.883 -2.083 -1.690 303 HE1 TRP 592 1HE TRP 592 1.365 -2.503 -1.360 304 HE3 TRP 592 3HE TRP 592 2.467 -2.432 -6.591 305 HZ2 TRP 592 2HZ TRP 592 -0.918 -2.926 -2.964 306 HZ3 TRP 592 3HZ TRP 592 0.098 -2.845 -7.108 307 HH2 TRP 592 HH TRP 592 -1.559 -3.089 -5.330 308 H GLU 593 H GLU 593 5.875 0.615 -4.382 309 HA GLU 593 HA GLU 593 5.562 1.879 -1.753 310 HB2 GLU 593 1HB GLU 593 7.099 2.502 -4.083 311 HB3 GLU 593 2HB GLU 593 5.968 3.817 -3.790 312 HG2 GLU 593 1HG GLU 593 7.281 2.924 -1.362 313 HG3 GLU 593 2HG GLU 593 8.421 3.470 -2.591 314 H GLY 594 H GLY 594 3.892 3.261 -1.282 315 HA2 GLY 594 1HA GLY 594 1.975 3.990 -3.338 316 HA3 GLY 594 2HA GLY 594 1.378 2.871 -2.120 317 H GLN 595 H GLN 595 -0.143 4.774 -1.886 318 HA GLN 595 HA GLN 595 0.915 6.536 0.212 319 HB2 GLN 595 1HB GLN 595 0.830 7.982 -1.660 320 HB3 GLN 595 2HB GLN 595 -0.712 7.327 -2.195 321 HG2 GLN 595 1HG GLN 595 -1.907 8.469 -0.563 322 HG3 GLN 595 2HG GLN 595 -0.475 8.743 0.428 323 HE21 GLN 595 1HE2 GLN 595 -0.784 10.999 -2.975 324 HE22 GLN 595 2HE2 GLN 595 -1.166 9.315 -3.002 325 H VAL 596 H VAL 596 -0.361 6.757 1.964 326 HA VAL 596 HA VAL 596 -3.126 5.768 1.806 327 HB VAL 596 HB VAL 596 -1.831 3.977 2.794 328 HG11 VAL 596 1HG1 VAL 596 -0.348 6.092 3.942 329 HG12 VAL 596 2HG1 VAL 596 -1.017 5.136 5.266 330 HG13 VAL 596 3HG1 VAL 596 -0.028 4.360 4.029 331 HG21 VAL 596 1HG2 VAL 596 -4.085 5.054 3.857 332 HG22 VAL 596 2HG2 VAL 596 -3.363 3.533 4.381 333 HG23 VAL 596 3HG2 VAL 596 -3.024 5.020 5.266 334 H LYS 597 H LYS 597 -4.415 7.409 2.293 335 HA LYS 597 HA LYS 597 -5.070 9.471 3.086 336 HB2 LYS 597 1HB LYS 597 -5.145 9.437 5.638 337 HB3 LYS 597 2HB LYS 597 -5.971 8.130 4.801 338 HG2 LYS 597 1HG LYS 597 -4.865 7.015 6.481 339 HG3 LYS 597 2HG LYS 597 -3.744 6.847 5.129 340 HD2 LYS 597 1HD LYS 597 -2.533 7.454 7.139 341 HD3 LYS 597 2HD LYS 597 -2.471 8.781 5.975 342 HE2 LYS 597 1HE LYS 597 -3.184 10.100 7.622 343 HE3 LYS 597 2HE LYS 597 -4.747 9.300 7.464 344 HZ1 LYS 597 1HZ LYS 597 -2.831 7.864 9.076 345 HZ2 LYS 597 2HZ LYS 597 -4.462 8.199 9.374 346 HZ3 LYS 597 3HZ LYS 597 -3.283 9.364 9.716 347 H GLY 598 H GLY 598 -2.347 9.521 2.235 348 HA2 GLY 598 1HA GLY 598 -1.108 11.636 2.380 349 HA3 GLY 598 2HA GLY 598 -1.282 11.526 4.125 350 H ARG 599 H ARG 599 -0.533 9.033 4.748 351 HA ARG 599 HA ARG 599 2.251 9.128 4.694 352 HB2 ARG 599 1HB ARG 599 0.209 7.151 5.512 353 HB3 ARG 599 2HB ARG 599 1.809 6.503 5.178 354 HG2 ARG 599 1HG ARG 599 2.449 8.618 6.730 355 HG3 ARG 599 2HG ARG 599 0.873 8.183 7.395 356 HD2 ARG 599 1HD ARG 599 1.585 6.030 7.973 357 HD3 ARG 599 2HD ARG 599 2.992 6.116 6.916 358 HE ARG 599 HE ARG 599 2.816 7.019 9.620 359 HH11 ARG 599 1HH1 ARG 599 5.771 8.331 7.258 360 HH12 ARG 599 2HH1 ARG 599 4.367 7.596 6.556 361 HH21 ARG 599 1HH2 ARG 599 5.937 8.550 9.532 362 HH22 ARG 599 2HH2 ARG 599 4.660 7.984 10.555 363 H VAL 600 H VAL 600 3.375 9.112 2.844 364 HA VAL 600 HA VAL 600 2.763 7.011 0.867 365 HB VAL 600 HB VAL 600 4.251 9.583 0.335 366 HG11 VAL 600 1HG1 VAL 600 2.897 8.190 -1.852 367 HG12 VAL 600 2HG1 VAL 600 4.523 8.871 -1.772 368 HG13 VAL 600 3HG1 VAL 600 4.204 7.266 -1.112 369 HG21 VAL 600 1HG2 VAL 600 2.303 10.651 0.340 370 HG22 VAL 600 2HG2 VAL 600 1.763 9.605 -0.974 371 HG23 VAL 600 3HG2 VAL 600 1.440 9.155 0.701 372 H GLY 601 H GLY 601 4.183 5.407 0.786 373 HA2 GLY 601 1HA GLY 601 6.982 5.804 0.625 374 HA3 GLY 601 2HA GLY 601 6.550 5.278 2.246 375 H TRP 602 H TRP 602 7.695 3.334 1.990 376 HA TRP 602 HA TRP 602 6.688 1.475 -0.038 377 HB2 TRP 602 1HB TRP 602 9.074 1.233 1.808 378 HB3 TRP 602 2HB TRP 602 8.635 0.089 0.544 379 HD1 TRP 602 HD TRP 602 9.330 3.919 0.657 380 HE1 TRP 602 1HE TRP 602 10.773 4.512 -1.390 381 HE3 TRP 602 3HE TRP 602 9.683 -0.722 -1.457 382 HZ2 TRP 602 2HZ TRP 602 11.912 3.185 -3.608 383 HZ3 TRP 602 3HZ TRP 602 10.967 -0.975 -3.541 384 HH2 TRP 602 HH TRP 602 12.057 0.941 -4.592 385 H PHE 603 H PHE 603 5.989 -0.629 0.516 386 HA PHE 603 HA PHE 603 5.767 -1.601 3.144 387 HB2 PHE 603 1HB PHE 603 3.419 -1.270 3.614 388 HB3 PHE 603 2HB PHE 603 4.168 0.300 3.341 389 HD1 PHE 603 1HD PHE 603 3.578 1.647 1.450 390 HD2 PHE 603 2HD PHE 603 1.891 -2.225 1.972 391 HE1 PHE 603 1HE PHE 603 1.892 2.154 -0.269 392 HE2 PHE 603 2HE PHE 603 0.201 -1.725 0.254 393 HZ PHE 603 HZ PHE 603 0.202 0.466 -0.869 394 HA PRO 604 HA PRO 604 4.800 -5.273 0.948 395 HB2 PRO 604 1HB PRO 604 3.408 -6.672 2.813 396 HB3 PRO 604 2HB PRO 604 5.152 -6.407 2.915 397 HG2 PRO 604 1HG PRO 604 2.933 -4.956 4.303 398 HG3 PRO 604 2HG PRO 604 4.486 -5.510 4.953 399 HD2 PRO 604 1HD PRO 604 4.043 -2.938 4.230 400 HD3 PRO 604 2HD PRO 604 5.634 -3.710 4.084 401 H SER 605 H SER 605 3.340 -5.729 -0.571 402 HA SER 605 HA SER 605 0.790 -4.457 -0.611 403 HB2 SER 605 1HB SER 605 0.736 -5.048 -2.803 404 HB3 SER 605 2HB SER 605 2.439 -5.427 -2.542 405 HG SER 605 HG SER 605 0.981 -7.103 -3.516 406 H ASP 606 H ASP 606 1.881 -7.202 0.931 407 HA ASP 606 HA ASP 606 -0.181 -9.053 0.604 408 HB2 ASP 606 1HB ASP 606 1.912 -9.592 1.754 409 HB3 ASP 606 2HB ASP 606 1.485 -8.500 3.068 410 H CYS 607 H CYS 607 -0.066 -6.081 2.390 411 HA CYS 607 HA CYS 607 -2.500 -6.688 3.863 412 HB2 CYS 607 1HB CYS 607 -1.017 -4.061 3.798 413 HB3 CYS 607 2HB CYS 607 -2.143 -4.631 5.022 414 HG CYS 607 HG CYS 607 0.631 -6.494 4.555 415 H LEU 608 H LEU 608 -1.850 -5.779 0.800 416 HA LEU 608 HA LEU 608 -4.164 -3.976 0.602 417 HB2 LEU 608 1HB LEU 608 -1.630 -4.234 -0.870 418 HB3 LEU 608 2HB LEU 608 -3.050 -3.921 -1.865 419 HG LEU 608 HG LEU 608 -1.665 -1.917 -1.109 420 HD11 LEU 608 1HD1 LEU 608 -4.088 -0.920 -0.244 421 HD12 LEU 608 2HD1 LEU 608 -4.539 -2.301 -1.243 422 HD13 LEU 608 3HD1 LEU 608 -3.534 -1.016 -1.915 423 HD21 LEU 608 1HD2 LEU 608 -1.780 -2.970 1.335 424 HD22 LEU 608 2HD2 LEU 608 -3.216 -1.949 1.415 425 HD23 LEU 608 3HD2 LEU 608 -1.644 -1.233 1.056 426 H GLU 609 H GLU 609 -5.688 -4.301 -1.116 427 HA GLU 609 HA GLU 609 -5.663 -6.802 -2.559 428 HB2 GLU 609 1HB GLU 609 -7.382 -6.360 -0.173 429 HB3 GLU 609 2HB GLU 609 -8.119 -7.150 -1.561 430 HG2 GLU 609 1HG GLU 609 -5.689 -8.065 -0.042 431 HG3 GLU 609 2HG GLU 609 -7.288 -8.807 -0.038 432 H GLU 610 H GLU 610 -6.839 -6.698 -4.406 433 HA GLU 610 HA GLU 610 -7.729 -4.180 -5.319 434 HB2 GLU 610 1HB GLU 610 -6.956 -6.395 -6.582 435 HB3 GLU 610 2HB GLU 610 -8.693 -6.657 -6.658 436 HG2 GLU 610 1HG GLU 610 -7.664 -3.999 -7.470 437 HG3 GLU 610 2HG GLU 610 -7.375 -5.364 -8.548 438 H VAL 611 H VAL 611 -9.832 -3.480 -5.875 439 HA VAL 611 HA VAL 611 -11.978 -4.803 -4.346 440 HB VAL 611 HB VAL 611 -13.047 -2.502 -4.293 441 HG11 VAL 611 1HG1 VAL 611 -11.852 -1.835 -2.328 442 HG12 VAL 611 2HG1 VAL 611 -11.888 -3.599 -2.376 443 HG13 VAL 611 3HG1 VAL 611 -10.421 -2.734 -2.833 444 HG21 VAL 611 1HG2 VAL 611 -10.402 -1.241 -4.554 445 HG22 VAL 611 2HG2 VAL 611 -11.119 -1.810 -6.061 446 HG23 VAL 611 3HG2 VAL 611 -11.992 -0.660 -5.049 447 H ALA 612 H ALA 612 -12.138 -6.029 -6.451 448 HA ALA 612 HA ALA 612 -13.232 -4.628 -8.715 449 HB1 ALA 612 1HB ALA 612 -12.076 -6.449 -9.459 450 HB2 ALA 612 2HB ALA 612 -12.547 -7.450 -8.085 451 HB3 ALA 612 3HB ALA 612 -13.697 -7.139 -9.385 452 H ASN 613 H ASN 613 -14.919 -3.732 -7.068 453 HA ASN 613 HA ASN 613 -17.223 -5.547 -6.907 454 HB2 ASN 613 1HB ASN 613 -17.022 -2.877 -5.529 455 HB3 ASN 613 2HB ASN 613 -18.045 -4.249 -5.116 456 HD21 ASN 613 1HD2 ASN 613 -14.958 -3.869 -2.926 457 HD22 ASN 613 2HD2 ASN 613 -16.044 -2.688 -3.568 Start of MODEL 16 1 H1 MET 553 H MET 553 5.757 3.962 -14.928 2 HA MET 553 HA MET 553 6.772 1.767 -13.334 3 HB2 MET 553 1HB MET 553 7.323 4.329 -13.151 4 HB3 MET 553 2HB MET 553 5.866 4.370 -12.164 5 HG2 MET 553 1HG MET 553 7.620 4.112 -10.647 6 HG3 MET 553 2HG MET 553 6.913 2.506 -10.803 7 HE1 MET 553 1HE MET 553 9.635 4.490 -10.414 8 HE2 MET 553 2HE MET 553 10.472 3.032 -9.879 9 HE3 MET 553 3HE MET 553 11.035 3.899 -11.310 10 H VAL 554 H VAL 554 3.989 3.974 -12.964 11 HA VAL 554 HA VAL 554 2.568 1.814 -11.565 12 HB VAL 554 HB VAL 554 2.783 3.853 -10.258 13 HG11 VAL 554 1HG1 VAL 554 1.314 5.211 -12.516 14 HG12 VAL 554 2HG1 VAL 554 1.756 5.949 -10.976 15 HG13 VAL 554 3HG1 VAL 554 3.014 5.439 -12.104 16 HG21 VAL 554 1HG2 VAL 554 -0.008 3.337 -11.271 17 HG22 VAL 554 2HG2 VAL 554 0.783 2.579 -9.890 18 HG23 VAL 554 3HG2 VAL 554 0.367 4.293 -9.837 19 HA PRO 555 HA PRO 555 -0.065 1.358 -15.090 20 HB2 PRO 555 1HB PRO 555 -1.999 -0.122 -13.889 21 HB3 PRO 555 2HB PRO 555 -0.423 -0.785 -14.340 22 HG2 PRO 555 1HG PRO 555 -1.384 0.170 -11.671 23 HG3 PRO 555 2HG PRO 555 -0.432 -1.273 -12.067 24 HD2 PRO 555 1HD PRO 555 0.691 0.984 -11.079 25 HD3 PRO 555 2HD PRO 555 1.540 -0.090 -12.209 26 H GLY 556 H GLY 556 -1.512 2.240 -11.957 27 HA2 GLY 556 1HA GLY 556 -2.693 4.369 -11.801 28 HA3 GLY 556 2HA GLY 556 -3.299 4.076 -13.425 29 H ARG 557 H ARG 557 -3.221 2.241 -10.365 30 HA ARG 557 HA ARG 557 -6.142 2.020 -10.504 31 HB2 ARG 557 1HB ARG 557 -5.402 -0.040 -11.474 32 HB3 ARG 557 2HB ARG 557 -4.199 -0.270 -10.213 33 HG2 ARG 557 1HG ARG 557 -5.825 -0.809 -8.609 34 HG3 ARG 557 2HG ARG 557 -7.137 -0.187 -9.613 35 HD2 ARG 557 1HD ARG 557 -6.928 -2.700 -9.501 36 HD3 ARG 557 2HD ARG 557 -6.968 -2.001 -11.119 37 HE ARG 557 HE ARG 557 -4.295 -2.277 -10.266 38 HH11 ARG 557 1HH1 ARG 557 -6.047 -5.459 -11.949 39 HH12 ARG 557 2HH1 ARG 557 -7.021 -4.178 -11.305 40 HH21 ARG 557 1HH2 ARG 557 -3.762 -5.333 -11.836 41 HH22 ARG 557 2HH2 ARG 557 -3.003 -3.957 -11.109 42 H SER 558 H SER 558 -7.179 1.771 -8.516 43 HA SER 558 HA SER 558 -5.503 2.454 -6.203 44 HB2 SER 558 1HB SER 558 -8.474 2.622 -6.059 45 HB3 SER 558 2HB SER 558 -7.250 3.681 -5.357 46 HG SER 558 HG SER 558 -8.610 4.000 -7.623 47 H PHE 559 H PHE 559 -5.213 1.045 -4.607 48 HA PHE 559 HA PHE 559 -6.909 -1.362 -4.557 49 HB2 PHE 559 1HB PHE 559 -4.025 -0.912 -3.821 50 HB3 PHE 559 2HB PHE 559 -4.912 -2.312 -3.226 51 HD1 PHE 559 1HD PHE 559 -4.906 -4.247 -4.469 52 HD2 PHE 559 2HD PHE 559 -4.132 -0.539 -6.409 53 HE1 PHE 559 1HE PHE 559 -4.420 -5.448 -6.561 54 HE2 PHE 559 2HE PHE 559 -3.647 -1.732 -8.504 55 HZ PHE 559 HZ PHE 559 -3.791 -4.189 -8.584 56 H MET 560 H MET 560 -7.308 -2.325 -2.427 57 HA MET 560 HA MET 560 -7.591 -0.242 -0.363 58 HB2 MET 560 1HB MET 560 -9.721 -1.122 -1.274 59 HB3 MET 560 2HB MET 560 -9.256 -2.736 -0.749 60 HG2 MET 560 1HG MET 560 -9.034 -1.580 1.587 61 HG3 MET 560 2HG MET 560 -10.114 -0.390 0.865 62 HE1 MET 560 1HE MET 560 -10.762 -4.082 2.885 63 HE2 MET 560 2HE MET 560 -10.548 -4.778 1.279 64 HE3 MET 560 3HE MET 560 -9.310 -3.716 1.952 65 H ALA 561 H ALA 561 -6.915 -0.638 1.700 66 HA ALA 561 HA ALA 561 -5.109 -2.885 2.049 67 HB1 ALA 561 1HB ALA 561 -3.972 -1.448 3.297 68 HB2 ALA 561 2HB ALA 561 -5.219 -0.234 3.014 69 HB3 ALA 561 3HB ALA 561 -5.333 -1.303 4.412 70 H VAL 562 H VAL 562 -5.925 -4.760 2.710 71 HA VAL 562 HA VAL 562 -8.394 -4.936 4.167 72 HB VAL 562 HB VAL 562 -8.049 -7.345 4.130 73 HG11 VAL 562 1HG1 VAL 562 -7.578 -5.814 1.600 74 HG12 VAL 562 2HG1 VAL 562 -7.670 -7.575 1.584 75 HG13 VAL 562 3HG1 VAL 562 -9.040 -6.626 2.156 76 HG21 VAL 562 1HG2 VAL 562 -5.937 -8.052 4.341 77 HG22 VAL 562 2HG2 VAL 562 -5.821 -7.822 2.596 78 HG23 VAL 562 3HG2 VAL 562 -5.277 -6.551 3.691 79 H LYS 563 H LYS 563 -5.236 -4.335 5.066 80 HA LYS 563 HA LYS 563 -5.859 -4.665 7.854 81 HB2 LYS 563 1HB LYS 563 -3.606 -5.999 8.115 82 HB3 LYS 563 2HB LYS 563 -5.113 -6.841 7.775 83 HG2 LYS 563 1HG LYS 563 -4.481 -7.421 5.677 84 HG3 LYS 563 2HG LYS 563 -3.508 -5.965 5.448 85 HD2 LYS 563 1HD LYS 563 -2.017 -7.828 5.554 86 HD3 LYS 563 2HD LYS 563 -1.851 -6.925 7.061 87 HE2 LYS 563 1HE LYS 563 -3.187 -8.520 8.240 88 HE3 LYS 563 2HE LYS 563 -3.616 -9.347 6.743 89 HZ1 LYS 563 1HZ LYS 563 -1.019 -9.321 8.150 90 HZ2 LYS 563 2HZ LYS 563 -1.122 -9.736 6.514 91 HZ3 LYS 563 3HZ LYS 563 -1.949 -10.651 7.671 92 H SER 564 H SER 564 -4.357 -3.609 9.240 93 HA SER 564 HA SER 564 -3.005 -1.412 7.949 94 HB2 SER 564 1HB SER 564 -3.102 -2.093 10.897 95 HB3 SER 564 2HB SER 564 -2.676 -0.538 10.181 96 HG SER 564 HG SER 564 -4.940 -0.931 10.998 97 H TYR 565 H TYR 565 -0.783 -0.779 8.727 98 HA TYR 565 HA TYR 565 0.953 -3.044 9.343 99 HB2 TYR 565 1HB TYR 565 0.891 -2.999 6.900 100 HB3 TYR 565 2HB TYR 565 1.319 -1.291 6.902 101 HD1 TYR 565 1HD TYR 565 2.589 -4.622 7.992 102 HD2 TYR 565 2HD TYR 565 3.556 -0.659 6.781 103 HE1 TYR 565 1HE TYR 565 4.972 -5.227 7.937 104 HE2 TYR 565 2HE TYR 565 5.942 -1.252 6.723 105 HH TYR 565 HH TYR 565 7.028 -4.532 7.044 106 H GLN 566 H GLN 566 2.905 -2.477 10.300 107 HA GLN 566 HA GLN 566 3.097 0.344 11.117 108 HB2 GLN 566 1HB GLN 566 2.684 -1.361 12.913 109 HB3 GLN 566 2HB GLN 566 4.256 -2.056 12.538 110 HG2 GLN 566 1HG GLN 566 5.285 0.144 13.068 111 HG3 GLN 566 2HG GLN 566 3.697 0.707 13.590 112 HE21 GLN 566 1HE2 GLN 566 6.034 -1.344 16.081 113 HE22 GLN 566 2HE2 GLN 566 6.543 -0.742 14.544 114 H ALA 567 H ALA 567 4.560 1.367 9.914 115 HA ALA 567 HA ALA 567 6.586 0.284 8.395 116 HB1 ALA 567 1HB ALA 567 5.947 2.952 9.434 117 HB2 ALA 567 2HB ALA 567 7.645 2.703 9.029 118 HB3 ALA 567 3HB ALA 567 6.401 2.444 7.807 119 H GLN 568 H GLN 568 8.664 -0.334 8.714 120 HA GLN 568 HA GLN 568 9.698 -0.186 11.469 121 HB2 GLN 568 1HB GLN 568 10.353 -2.390 9.522 122 HB3 GLN 568 2HB GLN 568 10.648 -2.351 11.255 123 HG2 GLN 568 1HG GLN 568 8.158 -2.324 11.574 124 HG3 GLN 568 2HG GLN 568 8.012 -2.641 9.846 125 HE21 GLN 568 1HE2 GLN 568 7.990 -5.785 11.942 126 HE22 GLN 568 2HE2 GLN 568 7.185 -4.267 12.119 127 H ALA 569 H ALA 569 10.417 -0.038 8.042 128 HA ALA 569 HA ALA 569 13.225 0.524 8.500 129 HB1 ALA 569 1HB ALA 569 12.010 0.936 5.829 130 HB2 ALA 569 2HB ALA 569 13.539 0.181 6.276 131 HB3 ALA 569 3HB ALA 569 12.028 -0.706 6.469 132 H GLU 570 H GLU 570 13.770 2.427 6.591 133 HA GLU 570 HA GLU 570 12.825 4.825 7.936 134 HB2 GLU 570 1HB GLU 570 14.689 5.047 5.647 135 HB3 GLU 570 2HB GLU 570 14.728 5.844 7.214 136 HG2 GLU 570 1HG GLU 570 15.322 3.447 8.080 137 HG3 GLU 570 2HG GLU 570 15.815 3.194 6.406 138 H GLY 571 H GLY 571 12.787 3.374 4.711 139 HA2 GLY 571 1HA GLY 571 11.169 5.586 3.693 140 HA3 GLY 571 2HA GLY 571 11.852 4.275 2.742 141 H GLU 572 H GLU 572 10.412 3.083 5.525 142 HA GLU 572 HA GLU 572 8.142 2.114 3.968 143 HB2 GLU 572 1HB GLU 572 9.614 1.194 6.365 144 HB3 GLU 572 2HB GLU 572 7.888 0.856 6.344 145 HG2 GLU 572 1HG GLU 572 8.830 -1.042 5.410 146 HG3 GLU 572 2HG GLU 572 8.299 -0.112 4.010 147 H ILE 573 H ILE 573 5.992 2.287 4.666 148 HA ILE 573 HA ILE 573 5.509 4.347 6.718 149 HB ILE 573 HB ILE 573 3.475 4.988 5.386 150 HG12 ILE 573 1HG1 ILE 573 4.715 3.902 2.926 151 HG13 ILE 573 2HG1 ILE 573 3.927 2.725 3.974 152 HG21 ILE 573 1HG2 ILE 573 5.317 6.464 5.339 153 HG22 ILE 573 2HG2 ILE 573 6.234 5.406 4.269 154 HG23 ILE 573 3HG2 ILE 573 4.818 6.260 3.660 155 HD11 ILE 573 1HD1 ILE 573 1.963 3.305 3.153 156 HD12 ILE 573 2HD1 ILE 573 2.209 4.967 3.689 157 HD13 ILE 573 3HD1 ILE 573 2.756 4.466 2.090 158 H SER 574 H SER 574 3.142 4.300 7.452 159 HA SER 574 HA SER 574 2.536 1.551 8.205 160 HB2 SER 574 1HB SER 574 1.417 2.412 10.035 161 HB3 SER 574 2HB SER 574 2.592 3.696 9.753 162 HG SER 574 HG SER 574 -0.060 3.857 9.734 163 H LEU 575 H LEU 575 0.049 1.149 8.466 164 HA LEU 575 HA LEU 575 -1.409 2.156 6.133 165 HB2 LEU 575 1HB LEU 575 -0.517 -0.600 6.621 166 HB3 LEU 575 2HB LEU 575 -2.210 -0.436 6.163 167 HG LEU 575 HG LEU 575 -1.171 1.030 4.221 168 HD11 LEU 575 1HD1 LEU 575 1.040 -0.945 4.723 169 HD12 LEU 575 2HD1 LEU 575 1.133 0.752 5.189 170 HD13 LEU 575 3HD1 LEU 575 0.965 0.314 3.490 171 HD21 LEU 575 1HD2 LEU 575 -0.700 -1.607 3.348 172 HD22 LEU 575 2HD2 LEU 575 -2.151 -0.629 3.121 173 HD23 LEU 575 3HD2 LEU 575 -2.010 -1.684 4.528 174 H SER 576 H SER 576 -3.755 1.310 6.217 175 HA SER 576 HA SER 576 -4.721 0.952 8.949 176 HB2 SER 576 1HB SER 576 -5.189 3.356 7.248 177 HB3 SER 576 2HB SER 576 -6.536 2.762 8.220 178 HG SER 576 HG SER 576 -4.128 3.906 9.016 179 H LYS 577 H LYS 577 -6.206 -0.591 8.986 180 HA LYS 577 HA LYS 577 -7.110 -1.971 6.758 181 HB2 LYS 577 1HB LYS 577 -7.204 -2.496 9.352 182 HB3 LYS 577 2HB LYS 577 -8.838 -1.867 9.191 183 HG2 LYS 577 1HG LYS 577 -7.986 -3.901 7.220 184 HG3 LYS 577 2HG LYS 577 -8.240 -4.440 8.881 185 HD2 LYS 577 1HD LYS 577 -10.440 -2.884 8.458 186 HD3 LYS 577 2HD LYS 577 -10.178 -3.574 6.856 187 HE2 LYS 577 1HE LYS 577 -11.617 -5.069 7.984 188 HE3 LYS 577 2HE LYS 577 -10.024 -5.827 7.994 189 HZ1 LYS 577 1HZ LYS 577 -10.240 -4.252 10.288 190 HZ2 LYS 577 2HZ LYS 577 -10.143 -5.937 10.187 191 HZ3 LYS 577 3HZ LYS 577 -11.654 -5.176 10.180 192 H GLY 578 H GLY 578 -8.599 -1.578 5.254 193 HA2 GLY 578 1HA GLY 578 -10.668 -0.873 4.407 194 HA3 GLY 578 2HA GLY 578 -10.941 0.034 5.887 195 H GLU 579 H GLU 579 -7.904 0.824 5.041 196 HA GLU 579 HA GLU 579 -8.760 3.356 3.918 197 HB2 GLU 579 1HB GLU 579 -6.881 2.851 5.718 198 HB3 GLU 579 2HB GLU 579 -5.881 2.666 4.285 199 HG2 GLU 579 1HG GLU 579 -5.781 4.924 5.240 200 HG3 GLU 579 2HG GLU 579 -6.377 4.907 3.580 201 H LYS 580 H LYS 580 -8.443 4.051 1.873 202 HA LYS 580 HA LYS 580 -7.780 2.089 -0.126 203 HB2 LYS 580 1HB LYS 580 -9.560 3.990 -0.227 204 HB3 LYS 580 2HB LYS 580 -8.203 5.003 -0.705 205 HG2 LYS 580 1HG LYS 580 -9.264 4.270 -2.689 206 HG3 LYS 580 2HG LYS 580 -7.751 3.369 -2.548 207 HD2 LYS 580 1HD LYS 580 -9.462 1.835 -3.212 208 HD3 LYS 580 2HD LYS 580 -9.057 1.496 -1.527 209 HE2 LYS 580 1HE LYS 580 -11.475 1.456 -1.896 210 HE3 LYS 580 2HE LYS 580 -11.010 2.749 -0.791 211 HZ1 LYS 580 1HZ LYS 580 -12.663 3.428 -2.475 212 HZ2 LYS 580 2HZ LYS 580 -11.525 3.133 -3.691 213 HZ3 LYS 580 3HZ LYS 580 -11.241 4.342 -2.543 214 H ILE 581 H ILE 581 -5.722 1.614 -0.529 215 HA ILE 581 HA ILE 581 -3.687 3.709 -0.309 216 HB ILE 581 HB ILE 581 -3.020 0.855 -0.894 217 HG12 ILE 581 1HG1 ILE 581 -4.611 0.669 0.926 218 HG13 ILE 581 2HG1 ILE 581 -2.987 0.405 1.553 219 HG21 ILE 581 1HG2 ILE 581 -1.156 1.569 0.774 220 HG22 ILE 581 2HG2 ILE 581 -1.113 2.155 -0.888 221 HG23 ILE 581 3HG2 ILE 581 -1.703 3.203 0.401 222 HD11 ILE 581 1HD1 ILE 581 -3.414 3.130 1.844 223 HD12 ILE 581 2HD1 ILE 581 -4.946 2.380 2.290 224 HD13 ILE 581 3HD1 ILE 581 -3.460 1.903 3.109 225 H LYS 582 H LYS 582 -2.560 4.466 -2.013 226 HA LYS 582 HA LYS 582 -3.199 3.332 -4.656 227 HB2 LYS 582 1HB LYS 582 -4.089 5.570 -4.434 228 HB3 LYS 582 2HB LYS 582 -2.537 6.175 -3.871 229 HG2 LYS 582 1HG LYS 582 -2.986 6.773 -6.204 230 HG3 LYS 582 2HG LYS 582 -1.549 5.763 -6.039 231 HD2 LYS 582 1HD LYS 582 -2.565 3.929 -7.000 232 HD3 LYS 582 2HD LYS 582 -4.189 4.477 -6.579 233 HE2 LYS 582 1HE LYS 582 -2.561 6.086 -8.490 234 HE3 LYS 582 2HE LYS 582 -3.317 4.598 -9.055 235 HZ1 LYS 582 1HZ LYS 582 -5.386 5.464 -8.864 236 HZ2 LYS 582 2HZ LYS 582 -4.553 6.913 -9.126 237 HZ3 LYS 582 3HZ LYS 582 -4.990 6.462 -7.555 238 H VAL 583 H VAL 583 -1.553 2.119 -5.328 239 HA VAL 583 HA VAL 583 1.139 2.501 -4.460 240 HB VAL 583 HB VAL 583 0.354 0.274 -5.020 241 HG11 VAL 583 1HG1 VAL 583 -0.875 -0.171 -6.816 242 HG12 VAL 583 2HG1 VAL 583 -0.818 1.544 -7.225 243 HG13 VAL 583 3HG1 VAL 583 0.384 0.438 -7.890 244 HG21 VAL 583 1HG2 VAL 583 2.685 1.506 -6.258 245 HG22 VAL 583 2HG2 VAL 583 2.548 -0.004 -5.357 246 HG23 VAL 583 3HG2 VAL 583 2.166 0.034 -7.078 247 H LEU 584 H LEU 584 2.452 4.039 -5.166 248 HA LEU 584 HA LEU 584 2.015 5.214 -7.808 249 HB2 LEU 584 1HB LEU 584 3.934 6.131 -5.680 250 HB3 LEU 584 2HB LEU 584 3.369 7.036 -7.083 251 HG LEU 584 HG LEU 584 1.623 6.215 -4.762 252 HD11 LEU 584 1HD1 LEU 584 3.596 8.182 -4.799 253 HD12 LEU 584 2HD1 LEU 584 2.277 8.016 -3.641 254 HD13 LEU 584 3HD1 LEU 584 2.079 9.044 -5.060 255 HD21 LEU 584 1HD2 LEU 584 0.053 7.832 -5.730 256 HD22 LEU 584 2HD2 LEU 584 0.400 6.507 -6.841 257 HD23 LEU 584 3HD2 LEU 584 1.155 8.083 -7.084 258 H SER 585 H SER 585 4.198 3.174 -6.084 259 HA SER 585 HA SER 585 5.799 2.863 -8.509 260 HB2 SER 585 1HB SER 585 7.474 4.076 -7.609 261 HB3 SER 585 2HB SER 585 6.747 4.047 -6.002 262 HG SER 585 HG SER 585 8.691 2.918 -5.964 263 H ILE 586 H ILE 586 7.192 0.915 -8.416 264 HA ILE 586 HA ILE 586 6.268 -1.107 -6.503 265 HB ILE 586 HB ILE 586 6.190 -2.766 -8.416 266 HG12 ILE 586 1HG1 ILE 586 6.038 -0.218 -10.039 267 HG13 ILE 586 2HG1 ILE 586 7.351 -1.390 -10.085 268 HG21 ILE 586 1HG2 ILE 586 4.228 -1.572 -7.227 269 HG22 ILE 586 2HG2 ILE 586 4.068 -0.683 -8.742 270 HG23 ILE 586 3HG2 ILE 586 3.916 -2.439 -8.729 271 HD11 ILE 586 1HD1 ILE 586 4.869 -1.364 -11.523 272 HD12 ILE 586 2HD1 ILE 586 6.288 -2.389 -11.744 273 HD13 ILE 586 3HD1 ILE 586 5.034 -2.854 -10.594 274 H GLY 587 H GLY 587 7.646 -3.045 -6.467 275 HA2 GLY 587 1HA GLY 587 10.351 -2.582 -7.529 276 HA3 GLY 587 2HA GLY 587 10.139 -2.903 -5.813 277 H GLU 588 H GLU 588 9.768 -4.974 -5.111 278 HA GLU 588 HA GLU 588 8.950 -7.134 -6.684 279 HB2 GLU 588 1HB GLU 588 11.194 -8.323 -6.820 280 HB3 GLU 588 2HB GLU 588 10.933 -7.010 -7.958 281 HG2 GLU 588 1HG GLU 588 12.348 -5.556 -6.765 282 HG3 GLU 588 2HG GLU 588 12.377 -6.618 -5.359 283 H GLY 589 H GLY 589 8.582 -8.921 -5.440 284 HA2 GLY 589 1HA GLY 589 8.912 -10.370 -3.605 285 HA3 GLY 589 2HA GLY 589 9.895 -9.132 -2.835 286 H GLY 590 H GLY 590 6.587 -9.036 -4.152 287 HA2 GLY 590 1HA GLY 590 4.608 -8.382 -3.191 288 HA3 GLY 590 2HA GLY 590 5.212 -9.144 -1.729 289 H PHE 591 H PHE 591 7.058 -6.567 -3.082 290 HA PHE 591 HA PHE 591 5.974 -4.721 -1.058 291 HB2 PHE 591 1HB PHE 591 8.531 -5.850 -1.069 292 HB3 PHE 591 2HB PHE 591 8.762 -4.217 -1.682 293 HD1 PHE 591 1HD PHE 591 8.640 -2.347 -0.254 294 HD2 PHE 591 2HD PHE 591 7.461 -6.185 1.157 295 HE1 PHE 591 1HE PHE 591 8.553 -1.470 2.043 296 HE2 PHE 591 2HE PHE 591 7.372 -5.315 3.456 297 HZ PHE 591 HZ PHE 591 7.918 -2.955 3.902 298 H TRP 592 H TRP 592 5.698 -2.617 -1.654 299 HA TRP 592 HA TRP 592 6.835 -1.554 -4.070 300 HB2 TRP 592 1HB TRP 592 4.667 -1.107 -5.178 301 HB3 TRP 592 2HB TRP 592 5.012 -2.829 -5.051 302 HD1 TRP 592 HD TRP 592 3.956 -1.953 -1.722 303 HE1 TRP 592 1HE TRP 592 1.448 -2.406 -1.357 304 HE3 TRP 592 3HE TRP 592 2.503 -2.463 -6.598 305 HZ2 TRP 592 2HZ TRP 592 -0.841 -2.912 -2.927 306 HZ3 TRP 592 3HZ TRP 592 0.136 -2.930 -7.080 307 HH2 TRP 592 HH TRP 592 -1.500 -3.151 -5.282 308 H GLU 593 H GLU 593 5.903 0.698 -4.508 309 HA GLU 593 HA GLU 593 5.653 2.051 -1.926 310 HB2 GLU 593 1HB GLU 593 7.011 2.633 -4.373 311 HB3 GLU 593 2HB GLU 593 5.856 3.919 -4.053 312 HG2 GLU 593 1HG GLU 593 7.169 3.346 -1.621 313 HG3 GLU 593 2HG GLU 593 8.403 3.465 -2.875 314 H GLY 594 H GLY 594 3.933 3.301 -1.363 315 HA2 GLY 594 1HA GLY 594 1.885 3.951 -3.319 316 HA3 GLY 594 2HA GLY 594 1.399 2.805 -2.079 317 H GLN 595 H GLN 595 -0.151 4.796 -1.941 318 HA GLN 595 HA GLN 595 0.895 6.507 0.212 319 HB2 GLN 595 1HB GLN 595 0.800 7.953 -1.671 320 HB3 GLN 595 2HB GLN 595 -0.765 7.323 -2.167 321 HG2 GLN 595 1HG GLN 595 -0.644 8.556 0.509 322 HG3 GLN 595 2HG GLN 595 -0.444 9.638 -0.868 323 HE21 GLN 595 1HE2 GLN 595 -3.741 9.188 -2.081 324 HE22 GLN 595 2HE2 GLN 595 -2.110 9.484 -2.566 325 H VAL 596 H VAL 596 -0.409 6.769 1.953 326 HA VAL 596 HA VAL 596 -3.159 5.747 1.793 327 HB VAL 596 HB VAL 596 -1.849 3.954 2.767 328 HG11 VAL 596 1HG1 VAL 596 -0.072 4.326 4.046 329 HG12 VAL 596 2HG1 VAL 596 -0.381 6.061 3.930 330 HG13 VAL 596 3HG1 VAL 596 -1.075 5.127 5.256 331 HG21 VAL 596 1HG2 VAL 596 -3.071 4.959 5.239 332 HG22 VAL 596 2HG2 VAL 596 -4.123 5.007 3.824 333 HG23 VAL 596 3HG2 VAL 596 -3.395 3.482 4.330 334 H LYS 597 H LYS 597 -4.468 7.361 2.314 335 HA LYS 597 HA LYS 597 -5.137 9.412 3.122 336 HB2 LYS 597 1HB LYS 597 -5.174 9.370 5.676 337 HB3 LYS 597 2HB LYS 597 -6.001 8.059 4.844 338 HG2 LYS 597 1HG LYS 597 -4.862 6.945 6.505 339 HG3 LYS 597 2HG LYS 597 -3.757 6.794 5.135 340 HD2 LYS 597 1HD LYS 597 -2.521 7.402 7.126 341 HD3 LYS 597 2HD LYS 597 -2.495 8.741 5.975 342 HE2 LYS 597 1HE LYS 597 -3.178 10.026 7.666 343 HE3 LYS 597 2HE LYS 597 -4.745 9.237 7.491 344 HZ1 LYS 597 1HZ LYS 597 -2.559 8.333 9.287 345 HZ2 LYS 597 2HZ LYS 597 -4.078 7.606 9.133 346 HZ3 LYS 597 3HZ LYS 597 -3.948 9.165 9.776 347 H GLY 598 H GLY 598 -2.434 9.508 2.230 348 HA2 GLY 598 1HA GLY 598 -1.204 11.621 2.357 349 HA3 GLY 598 2HA GLY 598 -1.375 11.531 4.104 350 H ARG 599 H ARG 599 -0.610 9.029 4.730 351 HA ARG 599 HA ARG 599 2.173 9.157 4.693 352 HB2 ARG 599 1HB ARG 599 0.151 7.152 5.495 353 HB3 ARG 599 2HB ARG 599 1.764 6.530 5.178 354 HG2 ARG 599 1HG ARG 599 2.347 8.660 6.736 355 HG3 ARG 599 2HG ARG 599 0.777 8.189 7.388 356 HD2 ARG 599 1HD ARG 599 1.532 6.057 7.976 357 HD3 ARG 599 2HD ARG 599 2.939 6.167 6.921 358 HE ARG 599 HE ARG 599 2.748 7.067 9.621 359 HH11 ARG 599 1HH1 ARG 599 5.667 8.453 7.257 360 HH12 ARG 599 2HH1 ARG 599 4.279 7.686 6.557 361 HH21 ARG 599 1HH2 ARG 599 5.831 8.672 9.531 362 HH22 ARG 599 2HH2 ARG 599 4.569 8.075 10.556 363 H VAL 600 H VAL 600 3.310 9.150 2.850 364 HA VAL 600 HA VAL 600 2.723 7.050 0.865 365 HB VAL 600 HB VAL 600 4.219 9.620 0.347 366 HG11 VAL 600 1HG1 VAL 600 2.900 7.742 -1.605 367 HG12 VAL 600 2HG1 VAL 600 3.991 9.084 -1.959 368 HG13 VAL 600 3HG1 VAL 600 4.601 7.639 -1.153 369 HG21 VAL 600 1HG2 VAL 600 2.273 10.690 0.397 370 HG22 VAL 600 2HG2 VAL 600 1.752 9.700 -0.968 371 HG23 VAL 600 3HG2 VAL 600 1.392 9.188 0.681 372 H GLY 601 H GLY 601 4.141 5.442 0.816 373 HA2 GLY 601 1HA GLY 601 6.946 5.860 0.689 374 HA3 GLY 601 2HA GLY 601 6.486 5.298 2.290 375 H TRP 602 H TRP 602 7.623 3.357 2.034 376 HA TRP 602 HA TRP 602 6.638 1.534 -0.043 377 HB2 TRP 602 1HB TRP 602 9.066 1.332 1.753 378 HB3 TRP 602 2HB TRP 602 8.608 0.147 0.533 379 HD1 TRP 602 HD TRP 602 9.146 4.004 0.459 380 HE1 TRP 602 1HE TRP 602 10.562 4.555 -1.619 381 HE3 TRP 602 3HE TRP 602 9.755 -0.725 -1.387 382 HZ2 TRP 602 2HZ TRP 602 11.776 3.168 -3.758 383 HZ3 TRP 602 3HZ TRP 602 11.057 -1.026 -3.452 384 HH2 TRP 602 HH TRP 602 12.045 0.882 -4.612 385 H PHE 603 H PHE 603 5.960 -0.581 0.478 386 HA PHE 603 HA PHE 603 5.789 -1.602 3.094 387 HB2 PHE 603 1HB PHE 603 3.418 -1.330 3.564 388 HB3 PHE 603 2HB PHE 603 4.169 0.250 3.374 389 HD1 PHE 603 1HD PHE 603 1.905 -2.205 1.866 390 HD2 PHE 603 2HD PHE 603 3.591 1.690 1.547 391 HE1 PHE 603 1HE PHE 603 0.227 -1.622 0.162 392 HE2 PHE 603 2HE PHE 603 1.916 2.280 -0.155 393 HZ PHE 603 HZ PHE 603 0.231 0.624 -0.850 394 HA PRO 604 HA PRO 604 4.838 -5.255 0.856 395 HB2 PRO 604 1HB PRO 604 3.461 -6.690 2.703 396 HB3 PRO 604 2HB PRO 604 5.203 -6.412 2.808 397 HG2 PRO 604 1HG PRO 604 2.974 -4.999 4.217 398 HG3 PRO 604 2HG PRO 604 4.533 -5.548 4.859 399 HD2 PRO 604 1HD PRO 604 4.067 -2.970 4.171 400 HD3 PRO 604 2HD PRO 604 5.664 -3.728 4.012 401 H SER 605 H SER 605 3.371 -5.755 -0.647 402 HA SER 605 HA SER 605 0.827 -4.474 -0.707 403 HB2 SER 605 1HB SER 605 0.808 -5.073 -2.889 404 HB3 SER 605 2HB SER 605 2.482 -5.553 -2.607 405 HG SER 605 HG SER 605 1.777 -7.438 -3.222 406 H ASP 606 H ASP 606 1.905 -7.197 0.887 407 HA ASP 606 HA ASP 606 -0.143 -9.055 0.611 408 HB2 ASP 606 1HB ASP 606 2.093 -9.162 1.954 409 HB3 ASP 606 2HB ASP 606 1.119 -8.545 3.285 410 H CYS 607 H CYS 607 0.019 -6.138 2.566 411 HA CYS 607 HA CYS 607 -2.481 -6.675 3.902 412 HB2 CYS 607 1HB CYS 607 -0.993 -4.049 3.805 413 HB3 CYS 607 2HB CYS 607 -2.153 -4.583 5.015 414 HG CYS 607 HG CYS 607 -0.150 -5.049 6.585 415 H LEU 608 H LEU 608 -1.691 -5.674 0.848 416 HA LEU 608 HA LEU 608 -4.063 -3.963 0.575 417 HB2 LEU 608 1HB LEU 608 -1.463 -4.120 -0.772 418 HB3 LEU 608 2HB LEU 608 -2.835 -3.898 -1.856 419 HG LEU 608 HG LEU 608 -1.647 -1.799 -1.116 420 HD11 LEU 608 1HD1 LEU 608 -4.462 -2.376 -1.297 421 HD12 LEU 608 2HD1 LEU 608 -3.564 -0.968 -1.864 422 HD13 LEU 608 3HD1 LEU 608 -4.168 -1.020 -0.209 423 HD21 LEU 608 1HD2 LEU 608 -1.673 -1.072 1.039 424 HD22 LEU 608 2HD2 LEU 608 -1.647 -2.809 1.338 425 HD23 LEU 608 3HD2 LEU 608 -3.168 -1.920 1.428 426 H GLU 609 H GLU 609 -5.448 -4.284 -1.300 427 HA GLU 609 HA GLU 609 -5.331 -6.819 -2.677 428 HB2 GLU 609 1HB GLU 609 -7.213 -6.318 -0.436 429 HB3 GLU 609 2HB GLU 609 -7.865 -7.117 -1.859 430 HG2 GLU 609 1HG GLU 609 -5.559 -8.045 -0.166 431 HG3 GLU 609 2HG GLU 609 -7.167 -8.761 -0.256 432 H GLU 610 H GLU 610 -6.513 -6.837 -4.560 433 HA GLU 610 HA GLU 610 -7.057 -4.464 -5.847 434 HB2 GLU 610 1HB GLU 610 -7.719 -7.302 -6.317 435 HB3 GLU 610 2HB GLU 610 -8.747 -6.144 -7.149 436 HG2 GLU 610 1HG GLU 610 -6.522 -5.065 -7.895 437 HG3 GLU 610 2HG GLU 610 -5.813 -6.615 -7.443 438 H VAL 611 H VAL 611 -8.998 -3.399 -6.450 439 HA VAL 611 HA VAL 611 -11.094 -3.611 -4.404 440 HB VAL 611 HB VAL 611 -11.761 -1.357 -5.042 441 HG11 VAL 611 1HG1 VAL 611 -10.193 -1.308 -3.326 442 HG12 VAL 611 2HG1 VAL 611 -8.879 -1.838 -4.379 443 HG13 VAL 611 3HG1 VAL 611 -9.516 -0.199 -4.520 444 HG21 VAL 611 1HG2 VAL 611 -11.395 -1.009 -7.267 445 HG22 VAL 611 2HG2 VAL 611 -9.972 -0.195 -6.615 446 HG23 VAL 611 3HG2 VAL 611 -9.836 -1.834 -7.255 447 H ALA 612 H ALA 612 -13.310 -3.516 -5.000 448 HA ALA 612 HA ALA 612 -13.978 -5.114 -7.236 449 HB1 ALA 612 1HB ALA 612 -15.433 -5.276 -5.414 450 HB2 ALA 612 2HB ALA 612 -15.607 -3.526 -5.277 451 HB3 ALA 612 3HB ALA 612 -16.355 -4.384 -6.625 452 H ASN 613 H ASN 613 -14.771 -1.697 -6.555 453 HA ASN 613 HA ASN 613 -15.139 -1.292 -9.444 454 HB2 ASN 613 1HB ASN 613 -17.005 -0.745 -7.768 455 HB3 ASN 613 2HB ASN 613 -16.005 0.621 -7.282 456 HD21 ASN 613 1HD2 ASN 613 -18.359 0.897 -10.465 457 HD22 ASN 613 2HD2 ASN 613 -18.425 -0.377 -9.300 Start of MODEL 17 1 H1 MET 553 H MET 553 9.160 -1.025 -14.439 2 HA MET 553 HA MET 553 7.430 1.004 -15.626 3 HB2 MET 553 1HB MET 553 7.125 -1.961 -15.175 4 HB3 MET 553 2HB MET 553 5.790 -0.951 -15.715 5 HG2 MET 553 1HG MET 553 8.411 -1.108 -17.171 6 HG3 MET 553 2HG MET 553 7.055 -2.181 -17.506 7 HE1 MET 553 1HE MET 553 7.965 -0.909 -19.958 8 HE2 MET 553 2HE MET 553 7.513 0.755 -20.328 9 HE3 MET 553 3HE MET 553 8.786 0.427 -19.150 10 H VAL 554 H VAL 554 5.242 1.313 -14.769 11 HA VAL 554 HA VAL 554 4.937 0.741 -11.915 12 HB VAL 554 HB VAL 554 4.658 3.520 -13.071 13 HG11 VAL 554 1HG1 VAL 554 3.010 2.975 -11.314 14 HG12 VAL 554 2HG1 VAL 554 4.339 2.580 -10.222 15 HG13 VAL 554 3HG1 VAL 554 4.148 4.228 -10.819 16 HG21 VAL 554 1HG2 VAL 554 6.513 4.033 -11.452 17 HG22 VAL 554 2HG2 VAL 554 6.726 2.293 -11.257 18 HG23 VAL 554 3HG2 VAL 554 6.976 3.040 -12.834 19 HA PRO 555 HA PRO 555 0.833 -0.157 -13.300 20 HB2 PRO 555 1HB PRO 555 -0.309 -0.422 -10.849 21 HB3 PRO 555 2HB PRO 555 0.748 -1.652 -11.555 22 HG2 PRO 555 1HG PRO 555 1.387 0.467 -9.537 23 HG3 PRO 555 2HG PRO 555 1.878 -1.237 -9.565 24 HD2 PRO 555 1HD PRO 555 3.522 0.766 -10.347 25 HD3 PRO 555 2HD PRO 555 3.578 -0.853 -11.073 26 H GLY 556 H GLY 556 -1.494 0.544 -12.294 27 HA2 GLY 556 1HA GLY 556 -1.571 3.301 -11.443 28 HA3 GLY 556 2HA GLY 556 -2.066 3.061 -13.112 29 H ARG 557 H ARG 557 -2.633 0.999 -10.283 30 HA ARG 557 HA ARG 557 -5.515 1.523 -10.574 31 HB2 ARG 557 1HB ARG 557 -4.913 -0.660 -11.578 32 HB3 ARG 557 2HB ARG 557 -4.249 -1.169 -10.031 33 HG2 ARG 557 1HG ARG 557 -6.620 -0.627 -9.126 34 HG3 ARG 557 2HG ARG 557 -7.096 -0.754 -10.820 35 HD2 ARG 557 1HD ARG 557 -5.679 -2.988 -10.662 36 HD3 ARG 557 2HD ARG 557 -6.101 -2.846 -8.957 37 HE ARG 557 HE ARG 557 -7.814 -3.662 -11.057 38 HH11 ARG 557 1HH1 ARG 557 -9.452 -2.088 -7.760 39 HH12 ARG 557 2HH1 ARG 557 -7.775 -1.820 -8.104 40 HH21 ARG 557 1HH2 ARG 557 -10.730 -3.341 -9.190 41 HH22 ARG 557 2HH2 ARG 557 -10.023 -4.022 -10.617 42 H SER 558 H SER 558 -6.693 1.666 -8.707 43 HA SER 558 HA SER 558 -5.187 2.102 -6.283 44 HB2 SER 558 1HB SER 558 -7.602 2.554 -5.396 45 HB3 SER 558 2HB SER 558 -6.876 3.691 -6.531 46 HG SER 558 HG SER 558 -9.105 2.918 -6.970 47 H PHE 559 H PHE 559 -5.289 0.936 -4.399 48 HA PHE 559 HA PHE 559 -6.819 -1.576 -4.461 49 HB2 PHE 559 1HB PHE 559 -3.907 -1.174 -3.831 50 HB3 PHE 559 2HB PHE 559 -4.796 -2.533 -3.151 51 HD1 PHE 559 1HD PHE 559 -5.052 -4.490 -4.370 52 HD2 PHE 559 2HD PHE 559 -3.944 -0.904 -6.379 53 HE1 PHE 559 1HE PHE 559 -4.677 -5.768 -6.438 54 HE2 PHE 559 2HE PHE 559 -3.570 -2.177 -8.452 55 HZ PHE 559 HZ PHE 559 -3.937 -4.612 -8.483 56 H MET 560 H MET 560 -7.635 -2.290 -2.505 57 HA MET 560 HA MET 560 -7.667 -0.270 -0.387 58 HB2 MET 560 1HB MET 560 -9.835 -1.040 -1.252 59 HB3 MET 560 2HB MET 560 -9.430 -2.693 -0.805 60 HG2 MET 560 1HG MET 560 -9.111 -1.561 1.573 61 HG3 MET 560 2HG MET 560 -10.260 -0.413 0.889 62 HE1 MET 560 1HE MET 560 -10.344 -4.761 1.060 63 HE2 MET 560 2HE MET 560 -9.310 -3.696 2.012 64 HE3 MET 560 3HE MET 560 -10.793 -4.345 2.715 65 H ALA 561 H ALA 561 -6.869 -0.617 1.614 66 HA ALA 561 HA ALA 561 -5.155 -2.896 2.007 67 HB1 ALA 561 1HB ALA 561 -5.403 -1.403 4.403 68 HB2 ALA 561 2HB ALA 561 -4.056 -1.436 3.265 69 HB3 ALA 561 3HB ALA 561 -5.355 -0.263 3.058 70 H VAL 562 H VAL 562 -5.717 -4.755 2.915 71 HA VAL 562 HA VAL 562 -8.307 -5.010 4.202 72 HB VAL 562 HB VAL 562 -7.763 -7.444 4.264 73 HG11 VAL 562 1HG1 VAL 562 -7.710 -7.681 1.708 74 HG12 VAL 562 2HG1 VAL 562 -9.053 -6.792 2.430 75 HG13 VAL 562 3HG1 VAL 562 -7.714 -5.916 1.684 76 HG21 VAL 562 1HG2 VAL 562 -5.468 -7.001 2.439 77 HG22 VAL 562 2HG2 VAL 562 -5.195 -6.772 4.167 78 HG23 VAL 562 3HG2 VAL 562 -5.782 -8.322 3.563 79 H LYS 563 H LYS 563 -5.144 -4.399 5.152 80 HA LYS 563 HA LYS 563 -5.829 -4.701 7.934 81 HB2 LYS 563 1HB LYS 563 -3.836 -6.107 8.456 82 HB3 LYS 563 2HB LYS 563 -5.077 -6.950 7.535 83 HG2 LYS 563 1HG LYS 563 -3.516 -6.009 5.537 84 HG3 LYS 563 2HG LYS 563 -2.318 -6.261 6.807 85 HD2 LYS 563 1HD LYS 563 -4.322 -8.342 5.944 86 HD3 LYS 563 2HD LYS 563 -2.678 -8.233 5.310 87 HE2 LYS 563 1HE LYS 563 -1.917 -8.352 7.742 88 HE3 LYS 563 2HE LYS 563 -3.566 -8.850 8.114 89 HZ1 LYS 563 1HZ LYS 563 -2.099 -10.263 6.001 90 HZ2 LYS 563 2HZ LYS 563 -3.309 -10.835 7.034 91 HZ3 LYS 563 3HZ LYS 563 -1.737 -10.612 7.616 92 H SER 564 H SER 564 -4.364 -3.625 9.343 93 HA SER 564 HA SER 564 -3.043 -1.398 8.090 94 HB2 SER 564 1HB SER 564 -2.719 -0.555 10.326 95 HB3 SER 564 2HB SER 564 -4.350 -1.219 10.224 96 HG SER 564 HG SER 564 -3.200 -1.864 12.129 97 H TYR 565 H TYR 565 -0.823 -0.746 8.763 98 HA TYR 565 HA TYR 565 0.966 -2.974 9.365 99 HB2 TYR 565 1HB TYR 565 0.806 -2.906 6.905 100 HB3 TYR 565 2HB TYR 565 1.297 -1.216 6.923 101 HD1 TYR 565 1HD TYR 565 2.436 -4.656 7.702 102 HD2 TYR 565 2HD TYR 565 3.579 -0.618 7.008 103 HE1 TYR 565 1HE TYR 565 4.794 -5.349 7.593 104 HE2 TYR 565 2HE TYR 565 5.940 -1.299 6.896 105 HH TYR 565 HH TYR 565 6.971 -4.283 6.392 106 H GLN 566 H GLN 566 2.930 -2.367 10.273 107 HA GLN 566 HA GLN 566 3.112 0.473 11.031 108 HB2 GLN 566 1HB GLN 566 2.706 -0.941 12.953 109 HB3 GLN 566 2HB GLN 566 4.041 -1.995 12.505 110 HG2 GLN 566 1HG GLN 566 5.636 -0.256 12.956 111 HG3 GLN 566 2HG GLN 566 4.342 0.902 13.256 112 HE21 GLN 566 1HE2 GLN 566 5.292 0.036 16.586 113 HE22 GLN 566 2HE2 GLN 566 5.736 1.052 15.261 114 H ALA 567 H ALA 567 4.618 1.492 9.891 115 HA ALA 567 HA ALA 567 6.609 0.388 8.344 116 HB1 ALA 567 1HB ALA 567 7.610 2.571 8.250 117 HB2 ALA 567 2HB ALA 567 5.854 2.749 8.259 118 HB3 ALA 567 3HB ALA 567 6.781 3.059 9.728 119 H GLN 568 H GLN 568 8.666 -0.299 8.646 120 HA GLN 568 HA GLN 568 9.738 -0.184 11.389 121 HB2 GLN 568 1HB GLN 568 10.229 -2.443 9.453 122 HB3 GLN 568 2HB GLN 568 10.606 -2.393 11.170 123 HG2 GLN 568 1HG GLN 568 8.016 -2.085 11.411 124 HG3 GLN 568 2HG GLN 568 7.998 -2.828 9.813 125 HE21 GLN 568 1HE2 GLN 568 7.637 -5.608 12.093 126 HE22 GLN 568 2HE2 GLN 568 6.724 -4.273 11.486 127 H ALA 569 H ALA 569 10.421 -0.155 7.946 128 HA ALA 569 HA ALA 569 13.255 0.285 8.348 129 HB1 ALA 569 1HB ALA 569 11.929 -0.879 6.343 130 HB2 ALA 569 2HB ALA 569 12.038 0.758 5.693 131 HB3 ALA 569 3HB ALA 569 13.506 -0.116 6.132 132 H GLU 570 H GLU 570 13.977 2.150 6.557 133 HA GLU 570 HA GLU 570 13.121 4.597 7.849 134 HB2 GLU 570 1HB GLU 570 15.066 5.540 7.088 135 HB3 GLU 570 2HB GLU 570 15.543 3.848 7.101 136 HG2 GLU 570 1HG GLU 570 14.938 3.736 4.685 137 HG3 GLU 570 2HG GLU 570 14.681 5.479 4.727 138 H GLY 571 H GLY 571 12.779 2.995 4.760 139 HA2 GLY 571 1HA GLY 571 11.325 5.335 3.712 140 HA3 GLY 571 2HA GLY 571 12.025 4.057 2.728 141 H GLU 572 H GLU 572 10.318 3.177 5.602 142 HA GLU 572 HA GLU 572 8.147 2.114 3.930 143 HB2 GLU 572 1HB GLU 572 9.596 1.104 6.287 144 HB3 GLU 572 2HB GLU 572 7.856 0.863 6.335 145 HG2 GLU 572 1HG GLU 572 8.569 -1.071 5.335 146 HG3 GLU 572 2HG GLU 572 8.179 -0.071 3.937 147 H ILE 573 H ILE 573 5.985 2.297 4.612 148 HA ILE 573 HA ILE 573 5.507 4.354 6.668 149 HB ILE 573 HB ILE 573 3.490 5.019 5.315 150 HG12 ILE 573 1HG1 ILE 573 4.776 3.923 2.876 151 HG13 ILE 573 2HG1 ILE 573 3.923 2.769 3.896 152 HG21 ILE 573 1HG2 ILE 573 6.257 5.426 4.203 153 HG22 ILE 573 2HG2 ILE 573 4.846 6.323 3.647 154 HG23 ILE 573 3HG2 ILE 573 5.375 6.464 5.324 155 HD11 ILE 573 1HD1 ILE 573 2.180 4.911 3.671 156 HD12 ILE 573 2HD1 ILE 573 2.884 4.734 2.062 157 HD13 ILE 573 3HD1 ILE 573 2.079 3.365 2.829 158 H SER 574 H SER 574 3.196 4.322 7.464 159 HA SER 574 HA SER 574 2.538 1.592 8.193 160 HB2 SER 574 1HB SER 574 1.408 2.475 9.996 161 HB3 SER 574 2HB SER 574 2.554 3.782 9.694 162 HG SER 574 HG SER 574 0.630 4.787 9.793 163 H LEU 575 H LEU 575 0.014 1.251 8.442 164 HA LEU 575 HA LEU 575 -1.379 2.193 6.045 165 HB2 LEU 575 1HB LEU 575 -0.560 -0.574 6.657 166 HB3 LEU 575 2HB LEU 575 -2.218 -0.370 6.095 167 HG LEU 575 HG LEU 575 -1.039 1.001 4.173 168 HD11 LEU 575 1HD1 LEU 575 1.102 -1.024 4.616 169 HD12 LEU 575 2HD1 LEU 575 1.197 0.528 5.446 170 HD13 LEU 575 3HD1 LEU 575 1.139 0.474 3.684 171 HD21 LEU 575 1HD2 LEU 575 -0.567 -1.593 3.312 172 HD22 LEU 575 2HD2 LEU 575 -2.071 -0.688 3.157 173 HD23 LEU 575 3HD2 LEU 575 -1.825 -1.761 4.536 174 H SER 576 H SER 576 -3.735 1.375 6.104 175 HA SER 576 HA SER 576 -4.754 1.130 8.833 176 HB2 SER 576 1HB SER 576 -5.138 3.460 7.035 177 HB3 SER 576 2HB SER 576 -6.561 2.898 7.911 178 HG SER 576 HG SER 576 -5.767 3.953 9.535 179 H LYS 577 H LYS 577 -6.155 -0.485 8.886 180 HA LYS 577 HA LYS 577 -7.046 -1.924 6.698 181 HB2 LYS 577 1HB LYS 577 -7.110 -2.416 9.288 182 HB3 LYS 577 2HB LYS 577 -8.749 -1.794 9.151 183 HG2 LYS 577 1HG LYS 577 -7.912 -3.862 7.202 184 HG3 LYS 577 2HG LYS 577 -8.164 -4.368 8.875 185 HD2 LYS 577 1HD LYS 577 -10.362 -2.820 8.434 186 HD3 LYS 577 2HD LYS 577 -10.106 -3.528 6.838 187 HE2 LYS 577 1HE LYS 577 -11.540 -5.012 7.983 188 HE3 LYS 577 2HE LYS 577 -9.948 -5.769 8.006 189 HZ1 LYS 577 1HZ LYS 577 -10.246 -4.128 10.276 190 HZ2 LYS 577 2HZ LYS 577 -10.004 -5.800 10.205 191 HZ3 LYS 577 3HZ LYS 577 -11.573 -5.171 10.176 192 H GLY 578 H GLY 578 -8.481 -1.515 5.154 193 HA2 GLY 578 1HA GLY 578 -10.597 -0.905 4.319 194 HA3 GLY 578 2HA GLY 578 -10.875 0.040 5.775 195 H GLU 579 H GLU 579 -7.888 0.926 5.001 196 HA GLU 579 HA GLU 579 -8.773 3.389 3.788 197 HB2 GLU 579 1HB GLU 579 -6.851 2.918 5.563 198 HB3 GLU 579 2HB GLU 579 -5.879 2.753 4.109 199 HG2 GLU 579 1HG GLU 579 -5.808 5.016 5.059 200 HG3 GLU 579 2HG GLU 579 -6.443 4.984 3.416 201 H LYS 580 H LYS 580 -8.518 4.038 1.724 202 HA LYS 580 HA LYS 580 -7.863 2.052 -0.249 203 HB2 LYS 580 1HB LYS 580 -9.652 3.949 -0.350 204 HB3 LYS 580 2HB LYS 580 -8.307 4.954 -0.875 205 HG2 LYS 580 1HG LYS 580 -9.394 4.183 -2.827 206 HG3 LYS 580 2HG LYS 580 -7.888 3.271 -2.691 207 HD2 LYS 580 1HD LYS 580 -9.675 1.771 -3.306 208 HD3 LYS 580 2HD LYS 580 -9.156 1.412 -1.658 209 HE2 LYS 580 1HE LYS 580 -11.132 2.030 -0.768 210 HE3 LYS 580 2HE LYS 580 -11.328 3.381 -1.883 211 HZ1 LYS 580 1HZ LYS 580 -12.393 0.731 -2.035 212 HZ2 LYS 580 2HZ LYS 580 -11.593 1.174 -3.458 213 HZ3 LYS 580 3HZ LYS 580 -12.859 2.129 -2.867 214 H ILE 581 H ILE 581 -5.744 1.564 -0.391 215 HA ILE 581 HA ILE 581 -3.738 3.667 -0.313 216 HB ILE 581 HB ILE 581 -3.094 0.805 -0.900 217 HG12 ILE 581 1HG1 ILE 581 -4.642 0.646 0.956 218 HG13 ILE 581 2HG1 ILE 581 -3.006 0.387 1.554 219 HG21 ILE 581 1HG2 ILE 581 -1.210 1.563 0.768 220 HG22 ILE 581 2HG2 ILE 581 -1.154 2.021 -0.933 221 HG23 ILE 581 3HG2 ILE 581 -1.726 3.175 0.271 222 HD11 ILE 581 1HD1 ILE 581 -3.447 1.908 3.099 223 HD12 ILE 581 2HD1 ILE 581 -3.425 3.117 1.815 224 HD13 ILE 581 3HD1 ILE 581 -4.948 2.375 2.302 225 H LYS 582 H LYS 582 -2.630 4.437 -2.023 226 HA LYS 582 HA LYS 582 -3.273 3.302 -4.665 227 HB2 LYS 582 1HB LYS 582 -4.192 5.510 -4.487 228 HB3 LYS 582 2HB LYS 582 -2.683 6.148 -3.848 229 HG2 LYS 582 1HG LYS 582 -2.993 6.792 -6.168 230 HG3 LYS 582 2HG LYS 582 -1.591 5.735 -5.989 231 HD2 LYS 582 1HD LYS 582 -2.613 3.977 -7.063 232 HD3 LYS 582 2HD LYS 582 -4.237 4.523 -6.636 233 HE2 LYS 582 1HE LYS 582 -2.433 5.920 -8.607 234 HE3 LYS 582 2HE LYS 582 -3.682 4.757 -9.055 235 HZ1 LYS 582 1HZ LYS 582 -5.240 6.306 -8.876 236 HZ2 LYS 582 2HZ LYS 582 -4.008 7.457 -8.735 237 HZ3 LYS 582 3HZ LYS 582 -4.706 6.792 -7.344 238 H VAL 583 H VAL 583 -1.612 2.084 -5.305 239 HA VAL 583 HA VAL 583 1.068 2.457 -4.451 240 HB VAL 583 HB VAL 583 0.254 0.260 -5.132 241 HG11 VAL 583 1HG1 VAL 583 -1.209 1.192 -6.980 242 HG12 VAL 583 2HG1 VAL 583 0.246 1.236 -7.977 243 HG13 VAL 583 3HG1 VAL 583 -0.345 -0.301 -7.345 244 HG21 VAL 583 1HG2 VAL 583 2.124 -0.234 -6.849 245 HG22 VAL 583 2HG2 VAL 583 2.556 1.460 -6.624 246 HG23 VAL 583 3HG2 VAL 583 2.571 0.355 -5.249 247 H LEU 584 H LEU 584 2.495 3.899 -5.133 248 HA LEU 584 HA LEU 584 2.051 5.224 -7.715 249 HB2 LEU 584 1HB LEU 584 3.857 6.051 -5.448 250 HB3 LEU 584 2HB LEU 584 3.480 6.993 -6.889 251 HG LEU 584 HG LEU 584 1.523 6.254 -4.713 252 HD11 LEU 584 1HD1 LEU 584 3.469 8.061 -4.440 253 HD12 LEU 584 2HD1 LEU 584 1.861 8.274 -3.751 254 HD13 LEU 584 3HD1 LEU 584 2.277 9.057 -5.275 255 HD21 LEU 584 1HD2 LEU 584 1.243 7.920 -7.208 256 HD22 LEU 584 2HD2 LEU 584 0.076 7.913 -5.885 257 HD23 LEU 584 3HD2 LEU 584 0.377 6.438 -6.805 258 H SER 585 H SER 585 4.216 3.141 -6.011 259 HA SER 585 HA SER 585 5.819 2.840 -8.422 260 HB2 SER 585 1HB SER 585 6.762 4.196 -6.025 261 HB3 SER 585 2HB SER 585 7.758 2.795 -6.420 262 HG SER 585 HG SER 585 7.850 5.158 -7.535 263 H ILE 586 H ILE 586 7.560 1.047 -7.942 264 HA ILE 586 HA ILE 586 6.560 -0.976 -6.097 265 HB ILE 586 HB ILE 586 6.486 -2.727 -7.780 266 HG12 ILE 586 1HG1 ILE 586 6.957 -0.528 -9.804 267 HG13 ILE 586 2HG1 ILE 586 8.154 -1.725 -9.322 268 HG21 ILE 586 1HG2 ILE 586 4.793 -0.361 -8.570 269 HG22 ILE 586 2HG2 ILE 586 4.458 -2.050 -8.947 270 HG23 ILE 586 3HG2 ILE 586 4.433 -1.498 -7.272 271 HD11 ILE 586 1HD1 ILE 586 7.405 -3.068 -10.906 272 HD12 ILE 586 2HD1 ILE 586 5.839 -3.132 -10.097 273 HD13 ILE 586 3HD1 ILE 586 6.148 -1.905 -11.325 274 H GLY 587 H GLY 587 8.041 -3.085 -6.577 275 HA2 GLY 587 1HA GLY 587 10.778 -2.369 -7.214 276 HA3 GLY 587 2HA GLY 587 10.484 -2.721 -5.517 277 H GLU 588 H GLU 588 10.251 -4.813 -4.852 278 HA GLU 588 HA GLU 588 10.148 -6.913 -6.889 279 HB2 GLU 588 1HB GLU 588 11.974 -8.145 -5.733 280 HB3 GLU 588 2HB GLU 588 12.509 -6.649 -6.488 281 HG2 GLU 588 1HG GLU 588 12.522 -5.532 -4.347 282 HG3 GLU 588 2HG GLU 588 11.876 -6.972 -3.563 283 H GLY 589 H GLY 589 9.709 -9.070 -5.946 284 HA2 GLY 589 1HA GLY 589 8.305 -10.410 -4.715 285 HA3 GLY 589 2HA GLY 589 8.998 -9.586 -3.326 286 H GLY 590 H GLY 590 7.130 -9.499 -2.118 287 HA2 GLY 590 1HA GLY 590 4.754 -8.277 -3.294 288 HA3 GLY 590 2HA GLY 590 4.860 -9.031 -1.710 289 H PHE 591 H PHE 591 6.985 -6.539 -3.037 290 HA PHE 591 HA PHE 591 5.945 -4.676 -1.006 291 HB2 PHE 591 1HB PHE 591 8.533 -5.796 -1.137 292 HB3 PHE 591 2HB PHE 591 8.695 -4.117 -1.645 293 HD1 PHE 591 1HD PHE 591 8.346 -2.314 -0.110 294 HD2 PHE 591 2HD PHE 591 7.731 -6.349 1.102 295 HE1 PHE 591 1HE PHE 591 8.288 -1.597 2.243 296 HE2 PHE 591 2HE PHE 591 7.672 -5.636 3.456 297 HZ PHE 591 HZ PHE 591 7.950 -3.257 4.029 298 H TRP 592 H TRP 592 5.661 -2.576 -1.612 299 HA TRP 592 HA TRP 592 6.757 -1.516 -4.042 300 HB2 TRP 592 1HB TRP 592 4.585 -1.107 -5.152 301 HB3 TRP 592 2HB TRP 592 4.943 -2.825 -5.004 302 HD1 TRP 592 HD TRP 592 3.894 -1.961 -1.683 303 HE1 TRP 592 1HE TRP 592 1.386 -2.408 -1.308 304 HE3 TRP 592 3HE TRP 592 2.418 -2.438 -6.554 305 HZ2 TRP 592 2HZ TRP 592 -0.912 -2.902 -2.871 306 HZ3 TRP 592 3HZ TRP 592 0.048 -2.898 -7.029 307 HH2 TRP 592 HH TRP 592 -1.581 -3.125 -5.224 308 H GLU 593 H GLU 593 5.810 0.722 -4.485 309 HA GLU 593 HA GLU 593 5.534 2.079 -1.907 310 HB2 GLU 593 1HB GLU 593 6.870 2.680 -4.380 311 HB3 GLU 593 2HB GLU 593 5.739 3.970 -3.993 312 HG2 GLU 593 1HG GLU 593 7.048 3.387 -1.598 313 HG3 GLU 593 2HG GLU 593 8.299 3.374 -2.840 314 H GLY 594 H GLY 594 3.815 3.360 -1.377 315 HA2 GLY 594 1HA GLY 594 1.769 3.964 -3.345 316 HA3 GLY 594 2HA GLY 594 1.285 2.832 -2.091 317 H GLN 595 H GLN 595 -0.278 4.809 -1.978 318 HA GLN 595 HA GLN 595 0.763 6.580 0.129 319 HB2 GLN 595 1HB GLN 595 0.597 8.000 -1.757 320 HB3 GLN 595 2HB GLN 595 -0.936 7.295 -2.252 321 HG2 GLN 595 1HG GLN 595 -1.995 8.268 -0.250 322 HG3 GLN 595 2HG GLN 595 -0.460 9.037 0.157 323 HE21 GLN 595 1HE2 GLN 595 -0.690 11.053 -2.942 324 HE22 GLN 595 2HE2 GLN 595 0.378 9.834 -2.346 325 H VAL 596 H VAL 596 -0.471 6.772 1.911 326 HA VAL 596 HA VAL 596 -3.223 5.743 1.825 327 HB VAL 596 HB VAL 596 -1.874 3.950 2.745 328 HG11 VAL 596 1HG1 VAL 596 -1.037 5.110 5.222 329 HG12 VAL 596 2HG1 VAL 596 -0.063 4.325 3.976 330 HG13 VAL 596 3HG1 VAL 596 -0.386 6.055 3.884 331 HG21 VAL 596 1HG2 VAL 596 -3.374 3.456 4.341 332 HG22 VAL 596 2HG2 VAL 596 -3.028 4.919 5.262 333 HG23 VAL 596 3HG2 VAL 596 -4.121 4.985 3.879 334 H LYS 597 H LYS 597 -4.530 7.337 2.409 335 HA LYS 597 HA LYS 597 -5.190 9.375 3.255 336 HB2 LYS 597 1HB LYS 597 -5.130 9.320 5.808 337 HB3 LYS 597 2HB LYS 597 -5.973 8.004 5.001 338 HG2 LYS 597 1HG LYS 597 -4.759 6.894 6.611 339 HG3 LYS 597 2HG LYS 597 -3.707 6.762 5.199 340 HD2 LYS 597 1HD LYS 597 -2.402 7.373 7.145 341 HD3 LYS 597 2HD LYS 597 -2.435 8.718 6.002 342 HE2 LYS 597 1HE LYS 597 -3.066 9.986 7.725 343 HE3 LYS 597 2HE LYS 597 -4.630 9.183 7.604 344 HZ1 LYS 597 1HZ LYS 597 -3.589 9.170 9.860 345 HZ2 LYS 597 2HZ LYS 597 -2.399 8.135 9.249 346 HZ3 LYS 597 3HZ LYS 597 -4.016 7.643 9.269 347 H GLY 598 H GLY 598 -2.522 9.501 2.262 348 HA2 GLY 598 1HA GLY 598 -1.293 11.607 2.336 349 HA3 GLY 598 2HA GLY 598 -1.431 11.549 4.088 350 H ARG 599 H ARG 599 -0.655 9.030 4.711 351 HA ARG 599 HA ARG 599 2.128 9.182 4.664 352 HB2 ARG 599 1HB ARG 599 0.127 7.148 5.454 353 HB3 ARG 599 2HB ARG 599 1.751 6.551 5.138 354 HG2 ARG 599 1HG ARG 599 2.305 8.678 6.708 355 HG3 ARG 599 2HG ARG 599 0.735 8.193 7.349 356 HD2 ARG 599 1HD ARG 599 1.501 6.064 7.937 357 HD3 ARG 599 2HD ARG 599 2.913 6.187 6.891 358 HE ARG 599 HE ARG 599 2.710 7.059 9.594 359 HH11 ARG 599 1HH1 ARG 599 5.583 8.563 7.247 360 HH12 ARG 599 2HH1 ARG 599 4.216 7.771 6.537 361 HH21 ARG 599 1HH2 ARG 599 5.747 8.748 9.525 362 HH22 ARG 599 2HH2 ARG 599 4.504 8.100 10.541 363 H VAL 600 H VAL 600 3.292 9.162 2.844 364 HA VAL 600 HA VAL 600 2.695 7.094 0.830 365 HB VAL 600 HB VAL 600 4.218 9.654 0.345 366 HG11 VAL 600 1HG1 VAL 600 2.823 8.083 -1.762 367 HG12 VAL 600 2HG1 VAL 600 4.270 9.086 -1.872 368 HG13 VAL 600 3HG1 VAL 600 4.360 7.484 -1.137 369 HG21 VAL 600 1HG2 VAL 600 1.727 9.728 -0.962 370 HG22 VAL 600 2HG2 VAL 600 1.402 9.280 0.714 371 HG23 VAL 600 3HG2 VAL 600 2.291 10.761 0.352 372 H GLY 601 H GLY 601 4.111 5.487 0.727 373 HA2 GLY 601 1HA GLY 601 6.909 5.861 0.605 374 HA3 GLY 601 2HA GLY 601 6.465 5.336 2.223 375 H TRP 602 H TRP 602 7.649 3.401 1.914 376 HA TRP 602 HA TRP 602 6.597 1.542 -0.090 377 HB2 TRP 602 1HB TRP 602 9.035 1.333 1.691 378 HB3 TRP 602 2HB TRP 602 8.562 0.153 0.471 379 HD1 TRP 602 HD TRP 602 9.143 4.005 0.406 380 HE1 TRP 602 1HE TRP 602 10.552 4.548 -1.678 381 HE3 TRP 602 3HE TRP 602 9.681 -0.723 -1.463 382 HZ2 TRP 602 2HZ TRP 602 11.734 3.155 -3.830 383 HZ3 TRP 602 3HZ TRP 602 10.964 -1.033 -3.538 384 HH2 TRP 602 HH TRP 602 11.969 0.868 -4.696 385 H PHE 603 H PHE 603 5.928 -0.571 0.478 386 HA PHE 603 HA PHE 603 5.768 -1.537 3.114 387 HB2 PHE 603 1HB PHE 603 3.419 -1.238 3.615 388 HB3 PHE 603 2HB PHE 603 4.148 0.340 3.336 389 HD1 PHE 603 1HD PHE 603 3.540 1.676 1.435 390 HD2 PHE 603 2HD PHE 603 1.860 -2.193 2.011 391 HE1 PHE 603 1HE PHE 603 1.828 2.170 -0.261 392 HE2 PHE 603 2HE PHE 603 0.146 -1.705 0.317 393 HZ PHE 603 HZ PHE 603 0.128 0.478 -0.824 394 HA PRO 604 HA PRO 604 4.800 -5.233 0.956 395 HB2 PRO 604 1HB PRO 604 3.432 -6.628 2.840 396 HB3 PRO 604 2HB PRO 604 5.176 -6.351 2.928 397 HG2 PRO 604 1HG PRO 604 2.956 -4.907 4.322 398 HG3 PRO 604 2HG PRO 604 4.519 -5.445 4.966 399 HD2 PRO 604 1HD PRO 604 4.051 -2.881 4.229 400 HD3 PRO 604 2HD PRO 604 5.648 -3.643 4.075 401 H SER 605 H SER 605 3.333 -5.708 -0.550 402 HA SER 605 HA SER 605 0.777 -4.452 -0.586 403 HB2 SER 605 1HB SER 605 0.755 -5.029 -2.772 404 HB3 SER 605 2HB SER 605 2.432 -5.505 -2.502 405 HG SER 605 HG SER 605 0.179 -7.065 -2.872 406 H ASP 606 H ASP 606 1.891 -7.176 0.980 407 HA ASP 606 HA ASP 606 -0.157 -9.043 0.698 408 HB2 ASP 606 1HB ASP 606 2.110 -9.149 2.005 409 HB3 ASP 606 2HB ASP 606 1.137 -8.591 3.364 410 H CYS 607 H CYS 607 -0.016 -6.089 2.560 411 HA CYS 607 HA CYS 607 -2.485 -6.677 3.965 412 HB2 CYS 607 1HB CYS 607 -0.983 -4.059 3.939 413 HB3 CYS 607 2HB CYS 607 -2.128 -4.633 5.145 414 HG CYS 607 HG CYS 607 0.830 -4.604 5.741 415 H LEU 608 H LEU 608 -1.920 -5.925 0.908 416 HA LEU 608 HA LEU 608 -4.186 -4.052 0.699 417 HB2 LEU 608 1HB LEU 608 -1.624 -4.265 -0.721 418 HB3 LEU 608 2HB LEU 608 -3.023 -3.998 -1.758 419 HG LEU 608 HG LEU 608 -1.738 -1.944 -1.016 420 HD11 LEU 608 1HD1 LEU 608 -4.222 -1.079 -0.103 421 HD12 LEU 608 2HD1 LEU 608 -4.574 -2.427 -1.183 422 HD13 LEU 608 3HD1 LEU 608 -3.629 -1.056 -1.764 423 HD21 LEU 608 1HD2 LEU 608 -1.778 -2.976 1.433 424 HD22 LEU 608 2HD2 LEU 608 -3.258 -2.020 1.528 425 HD23 LEU 608 3HD2 LEU 608 -1.724 -1.238 1.143 426 H GLU 609 H GLU 609 -5.600 -4.341 -1.170 427 HA GLU 609 HA GLU 609 -5.569 -6.887 -2.529 428 HB2 GLU 609 1HB GLU 609 -7.406 -6.322 -0.263 429 HB3 GLU 609 2HB GLU 609 -8.099 -7.113 -1.673 430 HG2 GLU 609 1HG GLU 609 -5.796 -8.093 -0.005 431 HG3 GLU 609 2HG GLU 609 -7.422 -8.767 -0.071 432 H GLU 610 H GLU 610 -6.815 -6.905 -4.380 433 HA GLU 610 HA GLU 610 -7.299 -4.528 -5.691 434 HB2 GLU 610 1HB GLU 610 -8.097 -7.347 -6.103 435 HB3 GLU 610 2HB GLU 610 -9.058 -6.146 -6.954 436 HG2 GLU 610 1HG GLU 610 -6.740 -5.214 -7.685 437 HG3 GLU 610 2HG GLU 610 -6.173 -6.828 -7.262 438 H VAL 611 H VAL 611 -9.287 -3.503 -6.361 439 HA VAL 611 HA VAL 611 -11.609 -3.969 -4.643 440 HB VAL 611 HB VAL 611 -10.416 -2.250 -3.447 441 HG11 VAL 611 1HG1 VAL 611 -10.032 -1.132 -6.159 442 HG12 VAL 611 2HG1 VAL 611 -10.247 0.021 -4.839 443 HG13 VAL 611 3HG1 VAL 611 -8.937 -1.160 -4.778 444 HG21 VAL 611 1HG2 VAL 611 -12.417 -0.551 -4.802 445 HG22 VAL 611 2HG2 VAL 611 -13.000 -2.085 -4.153 446 HG23 VAL 611 3HG2 VAL 611 -12.213 -0.920 -3.089 447 H ALA 612 H ALA 612 -13.564 -3.393 -5.550 448 HA ALA 612 HA ALA 612 -13.929 -1.735 -7.777 449 HB1 ALA 612 1HB ALA 612 -13.564 -2.984 -9.582 450 HB2 ALA 612 2HB ALA 612 -12.754 -4.136 -8.519 451 HB3 ALA 612 3HB ALA 612 -14.462 -4.345 -8.908 452 H ASN 613 H ASN 613 -16.088 -1.454 -8.264 453 HA ASN 613 HA ASN 613 -17.946 -2.468 -6.332 454 HB2 ASN 613 1HB ASN 613 -18.067 -0.530 -8.602 455 HB3 ASN 613 2HB ASN 613 -19.577 -1.187 -7.980 456 HD21 ASN 613 1HD2 ASN 613 -19.549 0.647 -5.025 457 HD22 ASN 613 2HD2 ASN 613 -20.258 -0.644 -5.929 Start of MODEL 18 1 H1 MET 553 H MET 553 7.474 -1.592 -13.678 2 HA MET 553 HA MET 553 6.102 0.633 -14.661 3 HB2 MET 553 1HB MET 553 5.454 -2.300 -15.012 4 HB3 MET 553 2HB MET 553 4.795 -0.994 -15.990 5 HG2 MET 553 1HG MET 553 7.237 -0.429 -16.523 6 HG3 MET 553 2HG MET 553 7.598 -2.034 -15.893 7 HE1 MET 553 1HE MET 553 6.162 -4.495 -17.690 8 HE2 MET 553 2HE MET 553 7.634 -4.084 -18.571 9 HE3 MET 553 3HE MET 553 7.570 -3.883 -16.820 10 H VAL 554 H VAL 554 4.953 1.698 -13.066 11 HA VAL 554 HA VAL 554 3.174 0.491 -11.255 12 HB VAL 554 HB VAL 554 4.020 2.742 -10.888 13 HG11 VAL 554 1HG1 VAL 554 2.249 3.653 -13.146 14 HG12 VAL 554 2HG1 VAL 554 3.383 4.623 -12.204 15 HG13 VAL 554 3HG1 VAL 554 3.982 3.387 -13.311 16 HG21 VAL 554 1HG2 VAL 554 1.024 2.587 -11.195 17 HG22 VAL 554 2HG2 VAL 554 1.972 2.188 -9.761 18 HG23 VAL 554 3HG2 VAL 554 1.869 3.860 -10.313 19 HA PRO 555 HA PRO 555 -0.215 -0.513 -13.916 20 HB2 PRO 555 1HB PRO 555 -2.056 -0.977 -11.975 21 HB3 PRO 555 2HB PRO 555 -0.754 -2.112 -12.355 22 HG2 PRO 555 1HG PRO 555 -0.921 -0.090 -10.152 23 HG3 PRO 555 2HG PRO 555 -0.341 -1.765 -10.093 24 HD2 PRO 555 1HD PRO 555 1.338 0.355 -10.223 25 HD3 PRO 555 2HD PRO 555 1.721 -1.214 -10.961 26 H GLY 556 H GLY 556 -0.935 1.596 -11.123 27 HA2 GLY 556 1HA GLY 556 -1.745 3.823 -11.343 28 HA3 GLY 556 2HA GLY 556 -2.323 3.423 -12.953 29 H ARG 557 H ARG 557 -3.002 1.072 -10.582 30 HA ARG 557 HA ARG 557 -5.799 1.983 -10.498 31 HB2 ARG 557 1HB ARG 557 -5.551 -0.172 -11.571 32 HB3 ARG 557 2HB ARG 557 -4.620 -0.784 -10.211 33 HG2 ARG 557 1HG ARG 557 -6.468 -1.026 -8.874 34 HG3 ARG 557 2HG ARG 557 -7.385 0.211 -9.735 35 HD2 ARG 557 1HD ARG 557 -6.686 -2.525 -10.795 36 HD3 ARG 557 2HD ARG 557 -8.260 -2.038 -10.164 37 HE ARG 557 HE ARG 557 -7.558 -0.277 -12.217 38 HH11 ARG 557 1HH1 ARG 557 -9.070 -3.803 -13.357 39 HH12 ARG 557 2HH1 ARG 557 -8.388 -3.629 -11.774 40 HH21 ARG 557 1HH2 ARG 557 -9.105 -2.020 -14.796 41 HH22 ARG 557 2HH2 ARG 557 -8.452 -0.494 -14.303 42 H SER 558 H SER 558 -6.966 1.857 -8.546 43 HA SER 558 HA SER 558 -5.313 2.271 -6.193 44 HB2 SER 558 1HB SER 558 -8.312 2.517 -6.532 45 HB3 SER 558 2HB SER 558 -7.385 3.040 -5.127 46 HG SER 558 HG SER 558 -7.532 4.848 -6.298 47 H PHE 559 H PHE 559 -5.387 1.062 -4.325 48 HA PHE 559 HA PHE 559 -6.943 -1.433 -4.421 49 HB2 PHE 559 1HB PHE 559 -4.027 -1.092 -3.721 50 HB3 PHE 559 2HB PHE 559 -4.953 -2.519 -3.261 51 HD1 PHE 559 1HD PHE 559 -4.294 -0.456 -6.303 52 HD2 PHE 559 2HD PHE 559 -4.816 -4.340 -4.642 53 HE1 PHE 559 1HE PHE 559 -3.833 -1.455 -8.504 54 HE2 PHE 559 2HE PHE 559 -4.356 -5.346 -6.840 55 HZ PHE 559 HZ PHE 559 -3.863 -3.903 -8.774 56 H MET 560 H MET 560 -7.750 -2.178 -2.481 57 HA MET 560 HA MET 560 -7.701 -0.229 -0.298 58 HB2 MET 560 1HB MET 560 -9.899 -0.915 -1.142 59 HB3 MET 560 2HB MET 560 -9.524 -2.593 -0.772 60 HG2 MET 560 1HG MET 560 -9.121 -1.507 1.642 61 HG3 MET 560 2HG MET 560 -10.326 -0.389 1.011 62 HE1 MET 560 1HE MET 560 -10.425 -4.763 1.800 63 HE2 MET 560 2HE MET 560 -9.254 -3.526 2.254 64 HE3 MET 560 3HE MET 560 -10.668 -3.816 3.268 65 H ALA 561 H ALA 561 -6.805 -0.638 1.638 66 HA ALA 561 HA ALA 561 -5.185 -2.997 1.938 67 HB1 ALA 561 1HB ALA 561 -5.238 -0.374 3.038 68 HB2 ALA 561 2HB ALA 561 -5.266 -1.541 4.361 69 HB3 ALA 561 3HB ALA 561 -3.975 -1.599 3.160 70 H VAL 562 H VAL 562 -5.771 -4.838 2.873 71 HA VAL 562 HA VAL 562 -8.335 -5.014 4.223 72 HB VAL 562 HB VAL 562 -7.929 -7.445 4.242 73 HG11 VAL 562 1HG1 VAL 562 -7.840 -5.834 1.751 74 HG12 VAL 562 2HG1 VAL 562 -7.610 -7.579 1.614 75 HG13 VAL 562 3HG1 VAL 562 -9.082 -6.937 2.344 76 HG21 VAL 562 1HG2 VAL 562 -5.812 -7.857 2.541 77 HG22 VAL 562 2HG2 VAL 562 -5.223 -6.568 3.590 78 HG23 VAL 562 3HG2 VAL 562 -5.784 -8.086 4.289 79 H LYS 563 H LYS 563 -5.179 -4.413 5.121 80 HA LYS 563 HA LYS 563 -5.803 -4.743 7.911 81 HB2 LYS 563 1HB LYS 563 -3.601 -6.079 8.233 82 HB3 LYS 563 2HB LYS 563 -5.055 -6.937 7.744 83 HG2 LYS 563 1HG LYS 563 -4.263 -7.384 5.661 84 HG3 LYS 563 2HG LYS 563 -3.264 -5.930 5.605 85 HD2 LYS 563 1HD LYS 563 -1.854 -7.895 5.731 86 HD3 LYS 563 2HD LYS 563 -1.719 -6.963 7.225 87 HE2 LYS 563 1HE LYS 563 -1.882 -9.364 7.670 88 HE3 LYS 563 2HE LYS 563 -3.258 -8.486 8.334 89 HZ1 LYS 563 1HZ LYS 563 -4.684 -9.379 6.808 90 HZ2 LYS 563 2HZ LYS 563 -3.607 -10.670 6.987 91 HZ3 LYS 563 3HZ LYS 563 -3.482 -9.646 5.648 92 H SER 564 H SER 564 -4.332 -3.657 9.294 93 HA SER 564 HA SER 564 -2.998 -1.450 8.009 94 HB2 SER 564 1HB SER 564 -2.534 -0.711 10.348 95 HB3 SER 564 2HB SER 564 -4.244 -1.021 10.044 96 HG SER 564 HG SER 564 -4.194 -2.531 11.497 97 H TYR 565 H TYR 565 -0.780 -0.794 8.833 98 HA TYR 565 HA TYR 565 0.985 -3.032 9.429 99 HB2 TYR 565 1HB TYR 565 0.885 -3.005 6.977 100 HB3 TYR 565 2HB TYR 565 1.341 -1.306 6.968 101 HD1 TYR 565 1HD TYR 565 3.594 -0.690 6.905 102 HD2 TYR 565 2HD TYR 565 2.554 -4.671 7.991 103 HE1 TYR 565 1HE TYR 565 5.971 -1.324 6.838 104 HE2 TYR 565 2HE TYR 565 4.926 -5.314 7.929 105 HH TYR 565 HH TYR 565 7.160 -3.962 6.447 106 H GLN 566 H GLN 566 2.939 -2.429 10.363 107 HA GLN 566 HA GLN 566 3.106 0.406 11.135 108 HB2 GLN 566 1HB GLN 566 2.726 -1.208 12.985 109 HB3 GLN 566 2HB GLN 566 4.241 -1.998 12.573 110 HG2 GLN 566 1HG GLN 566 5.498 -0.061 13.173 111 HG3 GLN 566 2HG GLN 566 4.028 0.891 13.372 112 HE21 GLN 566 1HE2 GLN 566 5.144 -0.038 16.726 113 HE22 GLN 566 2HE2 GLN 566 5.715 0.923 15.410 114 H ALA 567 H ALA 567 4.550 1.433 9.914 115 HA ALA 567 HA ALA 567 6.574 0.350 8.390 116 HB1 ALA 567 1HB ALA 567 5.637 2.754 8.461 117 HB2 ALA 567 2HB ALA 567 6.907 3.044 9.652 118 HB3 ALA 567 3HB ALA 567 7.330 2.514 8.024 119 H GLN 568 H GLN 568 8.642 -0.279 8.713 120 HA GLN 568 HA GLN 568 9.708 -0.053 11.450 121 HB2 GLN 568 1HB GLN 568 10.350 -2.294 9.540 122 HB3 GLN 568 2HB GLN 568 10.679 -2.214 11.264 123 HG2 GLN 568 1HG GLN 568 8.086 -2.063 11.469 124 HG3 GLN 568 2HG GLN 568 8.115 -2.762 9.850 125 HE21 GLN 568 1HE2 GLN 568 8.896 -5.005 13.111 126 HE22 GLN 568 2HE2 GLN 568 8.579 -3.311 13.203 127 H ALA 569 H ALA 569 10.373 0.072 8.018 128 HA ALA 569 HA ALA 569 13.189 0.645 8.433 129 HB1 ALA 569 1HB ALA 569 11.894 0.974 5.777 130 HB2 ALA 569 2HB ALA 569 13.479 0.320 6.190 131 HB3 ALA 569 3HB ALA 569 12.030 -0.650 6.451 132 H GLU 570 H GLU 570 13.697 2.520 6.484 133 HA GLU 570 HA GLU 570 12.755 4.933 7.804 134 HB2 GLU 570 1HB GLU 570 14.581 5.123 5.478 135 HB3 GLU 570 2HB GLU 570 14.637 5.957 7.025 136 HG2 GLU 570 1HG GLU 570 15.258 3.580 7.933 137 HG3 GLU 570 2HG GLU 570 15.741 3.304 6.261 138 H GLY 571 H GLY 571 12.687 3.439 4.596 139 HA2 GLY 571 1HA GLY 571 11.063 5.624 3.548 140 HA3 GLY 571 2HA GLY 571 11.692 4.261 2.634 141 H GLU 572 H GLU 572 10.473 2.838 5.263 142 HA GLU 572 HA GLU 572 8.094 1.993 3.878 143 HB2 GLU 572 1HB GLU 572 9.594 1.145 6.289 144 HB3 GLU 572 2HB GLU 572 7.870 0.803 6.285 145 HG2 GLU 572 1HG GLU 572 8.814 -1.119 5.404 146 HG3 GLU 572 2HG GLU 572 8.274 -0.232 3.980 147 H ILE 573 H ILE 573 5.956 2.173 4.637 148 HA ILE 573 HA ILE 573 5.515 4.278 6.650 149 HB ILE 573 HB ILE 573 3.497 4.958 5.311 150 HG12 ILE 573 1HG1 ILE 573 4.739 3.839 2.862 151 HG13 ILE 573 2HG1 ILE 573 3.897 2.693 3.899 152 HG21 ILE 573 1HG2 ILE 573 4.864 6.218 3.604 153 HG22 ILE 573 2HG2 ILE 573 5.375 6.395 5.282 154 HG23 ILE 573 3HG2 ILE 573 6.265 5.327 4.196 155 HD11 ILE 573 1HD1 ILE 573 2.825 4.552 2.026 156 HD12 ILE 573 2HD1 ILE 573 1.995 3.313 2.969 157 HD13 ILE 573 3HD1 ILE 573 2.216 4.930 3.637 158 H SER 574 H SER 574 3.228 4.264 7.486 159 HA SER 574 HA SER 574 2.549 1.547 8.232 160 HB2 SER 574 1HB SER 574 1.667 2.464 10.099 161 HB3 SER 574 2HB SER 574 2.482 3.940 9.582 162 HG SER 574 HG SER 574 0.597 4.799 9.294 163 H LEU 575 H LEU 575 0.054 1.164 8.465 164 HA LEU 575 HA LEU 575 -1.361 2.110 6.080 165 HB2 LEU 575 1HB LEU 575 -0.507 -0.642 6.679 166 HB3 LEU 575 2HB LEU 575 -2.185 -0.469 6.168 167 HG LEU 575 HG LEU 575 -1.091 0.911 4.204 168 HD11 LEU 575 1HD1 LEU 575 1.066 0.026 3.539 169 HD12 LEU 575 2HD1 LEU 575 1.132 -0.966 4.996 170 HD13 LEU 575 3HD1 LEU 575 1.180 0.792 5.125 171 HD21 LEU 575 1HD2 LEU 575 -2.142 -0.809 3.255 172 HD22 LEU 575 2HD2 LEU 575 -1.777 -1.882 4.609 173 HD23 LEU 575 3HD2 LEU 575 -0.597 -1.657 3.317 174 H SER 576 H SER 576 -3.714 1.294 6.150 175 HA SER 576 HA SER 576 -4.725 1.037 8.881 176 HB2 SER 576 1HB SER 576 -5.091 3.390 7.112 177 HB3 SER 576 2HB SER 576 -6.528 2.822 7.962 178 HG SER 576 HG SER 576 -4.627 4.328 8.929 179 H LYS 577 H LYS 577 -6.143 -0.562 8.931 180 HA LYS 577 HA LYS 577 -7.042 -1.989 6.737 181 HB2 LYS 577 1HB LYS 577 -7.117 -2.488 9.323 182 HB3 LYS 577 2HB LYS 577 -8.747 -1.846 9.190 183 HG2 LYS 577 1HG LYS 577 -7.873 -3.959 7.284 184 HG3 LYS 577 2HG LYS 577 -8.283 -4.408 8.942 185 HD2 LYS 577 1HD LYS 577 -10.393 -2.863 8.385 186 HD3 LYS 577 2HD LYS 577 -10.014 -3.416 6.753 187 HE2 LYS 577 1HE LYS 577 -10.546 -5.582 7.218 188 HE3 LYS 577 2HE LYS 577 -10.067 -5.452 8.909 189 HZ1 LYS 577 1HZ LYS 577 -12.223 -5.318 9.358 190 HZ2 LYS 577 2HZ LYS 577 -12.643 -5.122 7.732 191 HZ3 LYS 577 3HZ LYS 577 -12.218 -3.775 8.663 192 H GLY 578 H GLY 578 -8.480 -1.579 5.194 193 HA2 GLY 578 1HA GLY 578 -10.580 -0.943 4.347 194 HA3 GLY 578 2HA GLY 578 -10.860 -0.005 5.807 195 H GLU 579 H GLU 579 -7.878 0.896 5.094 196 HA GLU 579 HA GLU 579 -8.738 3.362 3.885 197 HB2 GLU 579 1HB GLU 579 -6.825 2.870 5.658 198 HB3 GLU 579 2HB GLU 579 -5.850 2.695 4.207 199 HG2 GLU 579 1HG GLU 579 -5.750 4.955 5.155 200 HG3 GLU 579 2HG GLU 579 -6.390 4.933 3.512 201 H LYS 580 H LYS 580 -8.465 4.038 1.829 202 HA LYS 580 HA LYS 580 -7.791 2.058 -0.157 203 HB2 LYS 580 1HB LYS 580 -9.627 3.918 -0.240 204 HB3 LYS 580 2HB LYS 580 -8.309 4.944 -0.787 205 HG2 LYS 580 1HG LYS 580 -9.411 4.134 -2.717 206 HG3 LYS 580 2HG LYS 580 -7.878 3.266 -2.599 207 HD2 LYS 580 1HD LYS 580 -9.575 1.681 -3.165 208 HD3 LYS 580 2HD LYS 580 -9.115 1.398 -1.485 209 HE2 LYS 580 1HE LYS 580 -11.541 1.302 -1.781 210 HE3 LYS 580 2HE LYS 580 -11.070 2.633 -0.726 211 HZ1 LYS 580 1HZ LYS 580 -11.633 2.960 -3.620 212 HZ2 LYS 580 2HZ LYS 580 -11.419 4.182 -2.471 213 HZ3 LYS 580 3HZ LYS 580 -12.792 3.197 -2.411 214 H ILE 581 H ILE 581 -5.673 1.627 -0.368 215 HA ILE 581 HA ILE 581 -3.723 3.789 -0.274 216 HB ILE 581 HB ILE 581 -2.969 0.960 -0.869 217 HG12 ILE 581 1HG1 ILE 581 -4.551 0.710 0.951 218 HG13 ILE 581 2HG1 ILE 581 -2.919 0.496 1.573 219 HG21 ILE 581 1HG2 ILE 581 -1.126 2.378 -0.869 220 HG22 ILE 581 2HG2 ILE 581 -1.730 3.320 0.493 221 HG23 ILE 581 3HG2 ILE 581 -1.108 1.692 0.754 222 HD11 ILE 581 1HD1 ILE 581 -3.414 1.980 3.133 223 HD12 ILE 581 2HD1 ILE 581 -3.461 3.210 1.869 224 HD13 ILE 581 3HD1 ILE 581 -4.941 2.379 2.347 225 H LYS 582 H LYS 582 -2.563 4.524 -1.982 226 HA LYS 582 HA LYS 582 -3.246 3.411 -4.625 227 HB2 LYS 582 1HB LYS 582 -4.121 5.641 -4.422 228 HB3 LYS 582 2HB LYS 582 -2.586 6.244 -3.810 229 HG2 LYS 582 1HG LYS 582 -2.988 6.870 -6.148 230 HG3 LYS 582 2HG LYS 582 -1.541 5.878 -5.954 231 HD2 LYS 582 1HD LYS 582 -2.696 3.932 -6.751 232 HD3 LYS 582 2HD LYS 582 -4.236 4.794 -6.765 233 HE2 LYS 582 1HE LYS 582 -3.676 4.940 -8.977 234 HE3 LYS 582 2HE LYS 582 -2.930 6.417 -8.374 235 HZ1 LYS 582 1HZ LYS 582 -1.307 5.397 -9.683 236 HZ2 LYS 582 2HZ LYS 582 -1.621 3.855 -9.061 237 HZ3 LYS 582 3HZ LYS 582 -0.853 5.016 -8.099 238 H VAL 583 H VAL 583 -1.614 2.179 -5.304 239 HA VAL 583 HA VAL 583 1.079 2.496 -4.460 240 HB VAL 583 HB VAL 583 0.201 0.317 -5.147 241 HG11 VAL 583 1HG1 VAL 583 -1.224 1.276 -7.000 242 HG12 VAL 583 2HG1 VAL 583 0.239 1.319 -7.984 243 HG13 VAL 583 3HG1 VAL 583 -0.373 -0.221 -7.379 244 HG21 VAL 583 1HG2 VAL 583 2.423 0.048 -5.337 245 HG22 VAL 583 2HG2 VAL 583 2.101 0.033 -7.071 246 HG23 VAL 583 3HG2 VAL 583 2.623 1.522 -6.284 247 H LEU 584 H LEU 584 2.568 3.860 -5.181 248 HA LEU 584 HA LEU 584 2.128 5.183 -7.769 249 HB2 LEU 584 1HB LEU 584 3.920 6.070 -5.517 250 HB3 LEU 584 2HB LEU 584 3.489 6.989 -6.958 251 HG LEU 584 HG LEU 584 1.565 6.200 -4.772 252 HD11 LEU 584 1HD1 LEU 584 2.151 9.029 -5.171 253 HD12 LEU 584 2HD1 LEU 584 3.532 8.094 -4.600 254 HD13 LEU 584 3HD1 LEU 584 2.027 8.092 -3.682 255 HD21 LEU 584 1HD2 LEU 584 0.620 6.487 -7.069 256 HD22 LEU 584 2HD2 LEU 584 1.201 8.152 -7.039 257 HD23 LEU 584 3HD2 LEU 584 -0.009 7.618 -5.871 258 H SER 585 H SER 585 4.295 3.176 -5.965 259 HA SER 585 HA SER 585 5.996 2.928 -8.337 260 HB2 SER 585 1HB SER 585 6.796 4.150 -5.856 261 HB3 SER 585 2HB SER 585 7.730 2.680 -6.124 262 HG SER 585 HG SER 585 8.854 3.879 -7.428 263 H ILE 586 H ILE 586 7.649 1.050 -7.881 264 HA ILE 586 HA ILE 586 6.486 -1.070 -6.256 265 HB ILE 586 HB ILE 586 6.635 -2.683 -8.178 266 HG12 ILE 586 1HG1 ILE 586 7.981 -0.853 -9.522 267 HG13 ILE 586 2HG1 ILE 586 6.939 -1.997 -10.359 268 HG21 ILE 586 1HG2 ILE 586 4.620 -0.449 -8.240 269 HG22 ILE 586 2HG2 ILE 586 4.465 -1.920 -9.197 270 HG23 ILE 586 3HG2 ILE 586 4.481 -2.013 -7.436 271 HD11 ILE 586 1HD1 ILE 586 6.857 0.570 -10.883 272 HD12 ILE 586 2HD1 ILE 586 5.390 -0.410 -10.885 273 HD13 ILE 586 3HD1 ILE 586 5.779 0.593 -9.488 274 H GLY 587 H GLY 587 7.902 -3.018 -6.200 275 HA2 GLY 587 1HA GLY 587 10.706 -2.405 -6.849 276 HA3 GLY 587 2HA GLY 587 10.276 -2.880 -5.212 277 H GLU 588 H GLU 588 9.825 -5.015 -4.753 278 HA GLU 588 HA GLU 588 9.343 -7.039 -6.618 279 HB2 GLU 588 1HB GLU 588 11.609 -8.178 -6.481 280 HB3 GLU 588 2HB GLU 588 11.506 -6.768 -7.527 281 HG2 GLU 588 1HG GLU 588 12.497 -5.397 -5.745 282 HG3 GLU 588 2HG GLU 588 12.649 -6.841 -4.744 283 H GLY 589 H GLY 589 8.764 -8.894 -5.597 284 HA2 GLY 589 1HA GLY 589 8.722 -10.494 -3.885 285 HA3 GLY 589 2HA GLY 589 9.714 -9.431 -2.897 286 H GLY 590 H GLY 590 6.503 -9.220 -4.453 287 HA2 GLY 590 1HA GLY 590 4.493 -8.469 -3.635 288 HA3 GLY 590 2HA GLY 590 4.960 -9.296 -2.157 289 H PHE 591 H PHE 591 6.872 -6.671 -3.399 290 HA PHE 591 HA PHE 591 5.789 -4.917 -1.296 291 HB2 PHE 591 1HB PHE 591 8.333 -6.032 -1.329 292 HB3 PHE 591 2HB PHE 591 8.580 -4.402 -1.946 293 HD1 PHE 591 1HD PHE 591 7.079 -6.289 0.874 294 HD2 PHE 591 2HD PHE 591 8.683 -2.590 -0.491 295 HE1 PHE 591 1HE PHE 591 7.014 -5.416 3.174 296 HE2 PHE 591 2HE PHE 591 8.621 -1.711 1.807 297 HZ PHE 591 HZ PHE 591 7.787 -3.125 3.643 298 H TRP 592 H TRP 592 5.601 -2.748 -1.769 299 HA TRP 592 HA TRP 592 6.669 -1.607 -4.169 300 HB2 TRP 592 1HB TRP 592 4.467 -1.088 -5.202 301 HB3 TRP 592 2HB TRP 592 4.834 -2.812 -5.189 302 HD1 TRP 592 HD TRP 592 3.829 -2.094 -1.791 303 HE1 TRP 592 1HE TRP 592 1.341 -2.621 -1.400 304 HE3 TRP 592 3HE TRP 592 2.305 -2.468 -6.656 305 HZ2 TRP 592 2HZ TRP 592 -0.963 -3.131 -2.949 306 HZ3 TRP 592 3HZ TRP 592 -0.058 -2.978 -7.116 307 HH2 TRP 592 HH TRP 592 -1.656 -3.303 -5.299 308 H GLU 593 H GLU 593 5.737 0.666 -4.498 309 HA GLU 593 HA GLU 593 5.465 1.894 -1.848 310 HB2 GLU 593 1HB GLU 593 6.979 2.549 -4.181 311 HB3 GLU 593 2HB GLU 593 5.855 3.861 -3.861 312 HG2 GLU 593 1HG GLU 593 7.188 2.931 -1.457 313 HG3 GLU 593 2HG GLU 593 8.315 3.496 -2.689 314 H GLY 594 H GLY 594 3.817 3.307 -1.355 315 HA2 GLY 594 1HA GLY 594 1.877 4.060 -3.376 316 HA3 GLY 594 2HA GLY 594 1.286 2.920 -2.174 317 H GLN 595 H GLN 595 -0.219 4.855 -1.930 318 HA GLN 595 HA GLN 595 0.862 6.573 0.197 319 HB2 GLN 595 1HB GLN 595 0.747 8.025 -1.681 320 HB3 GLN 595 2HB GLN 595 -0.824 7.399 -2.161 321 HG2 GLN 595 1HG GLN 595 -0.673 8.621 0.517 322 HG3 GLN 595 2HG GLN 595 -0.480 9.710 -0.856 323 HE21 GLN 595 1HE2 GLN 595 -4.016 9.818 -0.287 324 HE22 GLN 595 2HE2 GLN 595 -2.531 10.453 0.326 325 H VAL 596 H VAL 596 -0.399 6.788 1.964 326 HA VAL 596 HA VAL 596 -3.164 5.792 1.831 327 HB VAL 596 HB VAL 596 -1.861 3.987 2.778 328 HG11 VAL 596 1HG1 VAL 596 -0.367 6.092 3.945 329 HG12 VAL 596 2HG1 VAL 596 -1.002 5.093 5.253 330 HG13 VAL 596 3HG1 VAL 596 -0.030 4.362 3.975 331 HG21 VAL 596 1HG2 VAL 596 -4.095 5.058 3.892 332 HG22 VAL 596 2HG2 VAL 596 -3.369 3.528 4.381 333 HG23 VAL 596 3HG2 VAL 596 -3.011 5.001 5.282 334 H LYS 597 H LYS 597 -4.449 7.423 2.360 335 HA LYS 597 HA LYS 597 -5.096 9.473 3.190 336 HB2 LYS 597 1HB LYS 597 -5.131 9.410 5.740 337 HB3 LYS 597 2HB LYS 597 -5.964 8.106 4.902 338 HG2 LYS 597 1HG LYS 597 -4.826 6.981 6.556 339 HG3 LYS 597 2HG LYS 597 -3.727 6.830 5.183 340 HD2 LYS 597 1HD LYS 597 -2.487 7.424 7.181 341 HD3 LYS 597 2HD LYS 597 -2.446 8.758 6.027 342 HE2 LYS 597 1HE LYS 597 -3.144 10.068 7.688 343 HE3 LYS 597 2HE LYS 597 -4.702 9.253 7.560 344 HZ1 LYS 597 1HZ LYS 597 -4.397 8.482 9.595 345 HZ2 LYS 597 2HZ LYS 597 -2.869 9.198 9.688 346 HZ3 LYS 597 3HZ LYS 597 -3.031 7.628 9.081 347 H GLY 598 H GLY 598 -2.381 9.532 2.299 348 HA2 GLY 598 1HA GLY 598 -1.143 11.646 2.444 349 HA3 GLY 598 2HA GLY 598 -1.295 11.526 4.190 350 H ARG 599 H ARG 599 -0.540 9.024 4.783 351 HA ARG 599 HA ARG 599 2.245 9.124 4.696 352 HB2 ARG 599 1HB ARG 599 0.217 7.128 5.518 353 HB3 ARG 599 2HB ARG 599 1.827 6.503 5.185 354 HG2 ARG 599 1HG ARG 599 2.446 8.614 6.741 355 HG3 ARG 599 2HG ARG 599 0.868 8.180 7.400 356 HD2 ARG 599 1HD ARG 599 1.578 6.027 7.985 357 HD3 ARG 599 2HD ARG 599 2.994 6.115 6.937 358 HE ARG 599 HE ARG 599 4.138 7.097 8.650 359 HH11 ARG 599 1HH1 ARG 599 0.937 8.065 10.853 360 HH12 ARG 599 2HH1 ARG 599 0.725 7.393 9.269 361 HH21 ARG 599 1HH2 ARG 599 3.046 8.399 11.682 362 HH22 ARG 599 2HH2 ARG 599 4.432 7.981 10.732 363 H VAL 600 H VAL 600 3.351 9.110 2.836 364 HA VAL 600 HA VAL 600 2.709 7.024 0.856 365 HB VAL 600 HB VAL 600 4.212 9.582 0.311 366 HG11 VAL 600 1HG1 VAL 600 2.874 7.637 -1.567 367 HG12 VAL 600 2HG1 VAL 600 3.823 9.056 -2.013 368 HG13 VAL 600 3HG1 VAL 600 4.604 7.683 -1.226 369 HG21 VAL 600 1HG2 VAL 600 1.386 9.165 0.698 370 HG22 VAL 600 2HG2 VAL 600 2.270 10.665 0.423 371 HG23 VAL 600 3HG2 VAL 600 1.723 9.700 -0.948 372 H GLY 601 H GLY 601 4.115 5.405 0.784 373 HA2 GLY 601 1HA GLY 601 6.920 5.804 0.595 374 HA3 GLY 601 2HA GLY 601 6.493 5.251 2.207 375 H TRP 602 H TRP 602 7.626 3.307 1.919 376 HA TRP 602 HA TRP 602 6.603 1.486 -0.139 377 HB2 TRP 602 1HB TRP 602 9.006 1.211 1.682 378 HB3 TRP 602 2HB TRP 602 8.552 0.086 0.405 379 HD1 TRP 602 HD TRP 602 9.247 3.916 0.565 380 HE1 TRP 602 1HE TRP 602 10.675 4.538 -1.484 381 HE3 TRP 602 3HE TRP 602 9.594 -0.697 -1.612 382 HZ2 TRP 602 2HZ TRP 602 11.799 3.244 -3.726 383 HZ3 TRP 602 3HZ TRP 602 10.863 -0.918 -3.708 384 HH2 TRP 602 HH TRP 602 11.941 1.012 -4.742 385 H PHE 603 H PHE 603 5.959 -0.656 0.400 386 HA PHE 603 HA PHE 603 5.738 -1.644 3.019 387 HB2 PHE 603 1HB PHE 603 3.334 -1.385 3.416 388 HB3 PHE 603 2HB PHE 603 4.120 0.186 3.302 389 HD1 PHE 603 1HD PHE 603 1.903 -2.194 1.596 390 HD2 PHE 603 2HD PHE 603 3.595 1.711 1.546 391 HE1 PHE 603 1HE PHE 603 0.298 -1.525 -0.146 392 HE2 PHE 603 2HE PHE 603 1.994 2.387 -0.194 393 HZ PHE 603 HZ PHE 603 0.343 0.769 -1.043 394 HA PRO 604 HA PRO 604 4.819 -5.316 0.800 395 HB2 PRO 604 1HB PRO 604 3.424 -6.737 2.646 396 HB3 PRO 604 2HB PRO 604 5.165 -6.457 2.765 397 HG2 PRO 604 1HG PRO 604 2.919 -5.035 4.140 398 HG3 PRO 604 2HG PRO 604 4.472 -5.575 4.802 399 HD2 PRO 604 1HD PRO 604 4.010 -3.005 4.087 400 HD3 PRO 604 2HD PRO 604 5.610 -3.760 3.951 401 H SER 605 H SER 605 3.368 -5.822 -0.717 402 HA SER 605 HA SER 605 0.839 -4.539 -0.842 403 HB2 SER 605 1HB SER 605 0.829 -5.226 -2.998 404 HB3 SER 605 2HB SER 605 2.496 -5.706 -2.682 405 HG SER 605 HG SER 605 0.519 -7.258 -3.403 406 H ASP 606 H ASP 606 1.879 -7.277 0.798 407 HA ASP 606 HA ASP 606 -0.229 -9.072 0.585 408 HB2 ASP 606 1HB ASP 606 1.981 -9.340 1.847 409 HB3 ASP 606 2HB ASP 606 1.193 -8.503 3.183 410 H CYS 607 H CYS 607 0.077 -6.176 2.577 411 HA CYS 607 HA CYS 607 -2.428 -6.607 3.921 412 HB2 CYS 607 1HB CYS 607 -0.828 -4.048 3.788 413 HB3 CYS 607 2HB CYS 607 -2.021 -4.499 4.999 414 HG CYS 607 HG CYS 607 -0.267 -5.368 6.646 415 H LEU 608 H LEU 608 -1.599 -5.564 0.867 416 HA LEU 608 HA LEU 608 -3.931 -3.803 0.615 417 HB2 LEU 608 1HB LEU 608 -1.347 -4.022 -0.725 418 HB3 LEU 608 2HB LEU 608 -2.700 -3.832 -1.840 419 HG LEU 608 HG LEU 608 -1.541 -1.709 -1.182 420 HD11 LEU 608 1HD1 LEU 608 -3.460 -0.816 -1.834 421 HD12 LEU 608 2HD1 LEU 608 -4.101 -1.005 -0.203 422 HD13 LEU 608 3HD1 LEU 608 -4.316 -2.292 -1.388 423 HD21 LEU 608 1HD2 LEU 608 -1.486 -2.641 1.306 424 HD22 LEU 608 2HD2 LEU 608 -3.001 -1.742 1.398 425 HD23 LEU 608 3HD2 LEU 608 -1.509 -0.915 0.947 426 H GLU 609 H GLU 609 -5.466 -4.127 -1.061 427 HA GLU 609 HA GLU 609 -5.425 -6.586 -2.575 428 HB2 GLU 609 1HB GLU 609 -7.125 -6.230 -0.164 429 HB3 GLU 609 2HB GLU 609 -7.872 -6.981 -1.568 430 HG2 GLU 609 1HG GLU 609 -5.421 -7.929 -0.105 431 HG3 GLU 609 2HG GLU 609 -7.015 -8.679 -0.105 432 H GLU 610 H GLU 610 -6.362 -6.259 -4.487 433 HA GLU 610 HA GLU 610 -7.297 -3.820 -5.357 434 HB2 GLU 610 1HB GLU 610 -8.444 -5.201 -7.197 435 HB3 GLU 610 2HB GLU 610 -6.700 -5.339 -7.032 436 HG2 GLU 610 1HG GLU 610 -7.801 -7.502 -7.407 437 HG3 GLU 610 2HG GLU 610 -6.922 -7.437 -5.882 438 H VAL 611 H VAL 611 -9.524 -3.353 -6.237 439 HA VAL 611 HA VAL 611 -11.590 -4.281 -4.348 440 HB VAL 611 HB VAL 611 -12.618 -2.073 -4.425 441 HG11 VAL 611 1HG1 VAL 611 -9.718 -2.166 -3.633 442 HG12 VAL 611 2HG1 VAL 611 -10.758 -0.784 -3.283 443 HG13 VAL 611 3HG1 VAL 611 -11.140 -2.370 -2.610 444 HG21 VAL 611 1HG2 VAL 611 -12.206 -0.897 -6.294 445 HG22 VAL 611 2HG2 VAL 611 -10.789 -0.316 -5.419 446 HG23 VAL 611 3HG2 VAL 611 -10.637 -1.662 -6.549 447 H ALA 612 H ALA 612 -13.805 -4.126 -5.158 448 HA ALA 612 HA ALA 612 -13.942 -4.997 -7.919 449 HB1 ALA 612 1HB ALA 612 -15.210 -5.910 -5.773 450 HB2 ALA 612 2HB ALA 612 -16.399 -4.713 -6.284 451 HB3 ALA 612 3HB ALA 612 -15.914 -5.999 -7.388 452 H ASN 613 H ASN 613 -15.627 -4.158 -9.373 453 HA ASN 613 HA ASN 613 -15.987 -1.255 -9.016 454 HB2 ASN 613 1HB ASN 613 -15.492 -2.904 -11.491 455 HB3 ASN 613 2HB ASN 613 -16.152 -1.273 -11.581 456 HD21 ASN 613 1HD2 ASN 613 -12.263 -1.879 -10.500 457 HD22 ASN 613 2HD2 ASN 613 -13.423 -3.154 -10.387 Start of MODEL 19 1 H1 MET 553 H MET 553 7.049 1.287 -15.114 2 HA MET 553 HA MET 553 4.699 0.306 -16.580 3 HB2 MET 553 1HB MET 553 5.611 -1.953 -16.136 4 HB3 MET 553 2HB MET 553 6.720 -0.941 -17.053 5 HG2 MET 553 1HG MET 553 8.173 -0.689 -15.264 6 HG3 MET 553 2HG MET 553 6.948 -1.142 -14.081 7 HE1 MET 553 1HE MET 553 10.113 -3.794 -14.503 8 HE2 MET 553 2HE MET 553 10.155 -2.225 -15.307 9 HE3 MET 553 3HE MET 553 9.651 -2.339 -13.619 10 H VAL 554 H VAL 554 3.994 1.809 -14.476 11 HA VAL 554 HA VAL 554 3.327 -0.114 -12.345 12 HB VAL 554 HB VAL 554 2.831 1.963 -10.974 13 HG11 VAL 554 1HG1 VAL 554 4.755 1.294 -10.085 14 HG12 VAL 554 2HG1 VAL 554 5.345 0.729 -11.651 15 HG13 VAL 554 3HG1 VAL 554 5.578 2.411 -11.173 16 HG21 VAL 554 1HG2 VAL 554 3.962 4.031 -11.683 17 HG22 VAL 554 2HG2 VAL 554 4.356 3.272 -13.226 18 HG23 VAL 554 3HG2 VAL 554 2.673 3.565 -12.793 19 HA PRO 555 HA PRO 555 -0.948 0.160 -13.302 20 HB2 PRO 555 1HB PRO 555 -2.061 -0.044 -10.834 21 HB3 PRO 555 2HB PRO 555 -1.297 -1.409 -11.659 22 HG2 PRO 555 1HG PRO 555 -0.187 0.383 -9.532 23 HG3 PRO 555 2HG PRO 555 -0.058 -1.378 -9.691 24 HD2 PRO 555 1HD PRO 555 1.945 0.298 -10.403 25 HD3 PRO 555 2HD PRO 555 1.647 -1.241 -11.236 26 H GLY 556 H GLY 556 -2.939 1.406 -12.902 27 HA2 GLY 556 1HA GLY 556 -2.342 4.103 -11.849 28 HA3 GLY 556 2HA GLY 556 -3.278 3.844 -13.314 29 H ARG 557 H ARG 557 -3.837 1.566 -10.838 30 HA ARG 557 HA ARG 557 -6.388 2.893 -10.214 31 HB2 ARG 557 1HB ARG 557 -7.053 0.522 -9.488 32 HB3 ARG 557 2HB ARG 557 -6.896 0.834 -11.212 33 HG2 ARG 557 1HG ARG 557 -4.910 -0.367 -11.373 34 HG3 ARG 557 2HG ARG 557 -4.612 -0.287 -9.636 35 HD2 ARG 557 1HD ARG 557 -6.280 -1.883 -9.172 36 HD3 ARG 557 2HD ARG 557 -6.980 -1.735 -10.784 37 HE ARG 557 HE ARG 557 -4.272 -2.671 -10.819 38 HH11 ARG 557 1HH1 ARG 557 -7.329 -5.255 -10.931 39 HH12 ARG 557 2HH1 ARG 557 -7.600 -3.618 -10.433 40 HH21 ARG 557 1HH2 ARG 557 -5.223 -5.941 -11.523 41 HH22 ARG 557 2HH2 ARG 557 -3.902 -4.824 -11.476 42 H SER 558 H SER 558 -7.279 2.205 -8.002 43 HA SER 558 HA SER 558 -5.109 2.471 -6.029 44 HB2 SER 558 1HB SER 558 -7.032 4.264 -6.373 45 HB3 SER 558 2HB SER 558 -7.937 3.152 -5.346 46 HG SER 558 HG SER 558 -5.847 3.316 -4.018 47 H PHE 559 H PHE 559 -4.823 0.903 -4.583 48 HA PHE 559 HA PHE 559 -6.781 -1.274 -4.498 49 HB2 PHE 559 1HB PHE 559 -3.855 -1.085 -3.842 50 HB3 PHE 559 2HB PHE 559 -4.828 -2.409 -3.211 51 HD1 PHE 559 1HD PHE 559 -4.738 -4.358 -4.399 52 HD2 PHE 559 2HD PHE 559 -4.340 -0.665 -6.478 53 HE1 PHE 559 1HE PHE 559 -4.442 -5.583 -6.512 54 HE2 PHE 559 2HE PHE 559 -4.044 -1.885 -8.594 55 HZ PHE 559 HZ PHE 559 -4.096 -4.348 -8.614 56 H MET 560 H MET 560 -7.635 -2.054 -2.575 57 HA MET 560 HA MET 560 -7.599 -0.131 -0.371 58 HB2 MET 560 1HB MET 560 -9.788 -0.781 -1.278 59 HB3 MET 560 2HB MET 560 -9.449 -2.464 -0.898 60 HG2 MET 560 1HG MET 560 -9.080 -1.348 1.522 61 HG3 MET 560 2HG MET 560 -10.289 -0.255 0.851 62 HE1 MET 560 1HE MET 560 -10.689 -4.627 1.999 63 HE2 MET 560 2HE MET 560 -9.217 -3.689 1.755 64 HE3 MET 560 3HE MET 560 -10.240 -3.376 3.157 65 H ALA 561 H ALA 561 -6.806 -0.587 1.607 66 HA ALA 561 HA ALA 561 -5.160 -2.915 1.916 67 HB1 ALA 561 1HB ALA 561 -5.437 -0.355 3.188 68 HB2 ALA 561 2HB ALA 561 -5.381 -1.636 4.400 69 HB3 ALA 561 3HB ALA 561 -4.080 -1.481 3.221 70 H VAL 562 H VAL 562 -5.552 -4.743 3.036 71 HA VAL 562 HA VAL 562 -8.255 -5.101 4.103 72 HB VAL 562 HB VAL 562 -7.668 -7.531 4.120 73 HG11 VAL 562 1HG1 VAL 562 -7.621 -5.909 1.603 74 HG12 VAL 562 2HG1 VAL 562 -7.525 -7.670 1.545 75 HG13 VAL 562 3HG1 VAL 562 -8.925 -6.887 2.275 76 HG21 VAL 562 1HG2 VAL 562 -5.678 -8.349 3.206 77 HG22 VAL 562 2HG2 VAL 562 -5.268 -6.797 2.475 78 HG23 VAL 562 3HG2 VAL 562 -5.159 -7.003 4.223 79 H LYS 563 H LYS 563 -5.096 -4.547 5.163 80 HA LYS 563 HA LYS 563 -5.889 -4.966 7.918 81 HB2 LYS 563 1HB LYS 563 -3.855 -6.294 8.446 82 HB3 LYS 563 2HB LYS 563 -4.994 -7.148 7.414 83 HG2 LYS 563 1HG LYS 563 -3.429 -6.047 5.536 84 HG3 LYS 563 2HG LYS 563 -2.260 -6.202 6.850 85 HD2 LYS 563 1HD LYS 563 -4.005 -8.447 5.843 86 HD3 LYS 563 2HD LYS 563 -2.340 -8.172 5.328 87 HE2 LYS 563 1HE LYS 563 -1.754 -8.265 7.819 88 HE3 LYS 563 2HE LYS 563 -3.362 -8.950 8.043 89 HZ1 LYS 563 1HZ LYS 563 -2.372 -10.434 6.024 90 HZ2 LYS 563 2HZ LYS 563 -2.347 -10.884 7.654 91 HZ3 LYS 563 3HZ LYS 563 -0.986 -10.161 6.956 92 H SER 564 H SER 564 -3.876 -4.380 9.373 93 HA SER 564 HA SER 564 -2.935 -1.799 8.375 94 HB2 SER 564 1HB SER 564 -2.727 -1.119 10.592 95 HB3 SER 564 2HB SER 564 -4.093 -2.232 10.682 96 HG SER 564 HG SER 564 -2.669 -3.834 11.415 97 H TYR 565 H TYR 565 -0.690 -1.145 9.158 98 HA TYR 565 HA TYR 565 1.231 -3.304 9.356 99 HB2 TYR 565 1HB TYR 565 0.901 -3.136 6.930 100 HB3 TYR 565 2HB TYR 565 1.261 -1.413 6.992 101 HD1 TYR 565 1HD TYR 565 3.446 -0.681 6.676 102 HD2 TYR 565 2HD TYR 565 2.761 -4.737 7.765 103 HE1 TYR 565 1HE TYR 565 5.835 -1.166 6.352 104 HE2 TYR 565 2HE TYR 565 5.150 -5.232 7.447 105 HH TYR 565 HH TYR 565 7.328 -3.902 7.496 106 H GLN 566 H GLN 566 3.136 -2.680 10.292 107 HA GLN 566 HA GLN 566 3.287 0.138 11.125 108 HB2 GLN 566 1HB GLN 566 3.081 -1.832 12.822 109 HB3 GLN 566 2HB GLN 566 4.789 -2.076 12.479 110 HG2 GLN 566 1HG GLN 566 5.208 0.272 13.136 111 HG3 GLN 566 2HG GLN 566 3.511 0.409 13.589 112 HE21 GLN 566 1HE2 GLN 566 4.011 -0.871 16.744 113 HE22 GLN 566 2HE2 GLN 566 3.054 0.042 15.634 114 H ALA 567 H ALA 567 4.690 1.259 9.950 115 HA ALA 567 HA ALA 567 6.637 0.293 8.255 116 HB1 ALA 567 1HB ALA 567 7.528 2.511 8.172 117 HB2 ALA 567 2HB ALA 567 5.776 2.631 8.332 118 HB3 ALA 567 3HB ALA 567 6.811 2.914 9.732 119 H GLN 568 H GLN 568 8.600 -0.566 8.494 120 HA GLN 568 HA GLN 568 9.846 -0.444 11.160 121 HB2 GLN 568 1HB GLN 568 10.335 -2.581 9.091 122 HB3 GLN 568 2HB GLN 568 10.770 -2.607 10.796 123 HG2 GLN 568 1HG GLN 568 8.161 -2.381 11.104 124 HG3 GLN 568 2HG GLN 568 8.150 -3.100 9.495 125 HE21 GLN 568 1HE2 GLN 568 9.026 -5.299 12.767 126 HE22 GLN 568 2HE2 GLN 568 8.732 -3.598 12.846 127 H ALA 569 H ALA 569 10.367 -0.187 7.703 128 HA ALA 569 HA ALA 569 13.204 0.280 7.973 129 HB1 ALA 569 1HB ALA 569 11.565 0.796 5.510 130 HB2 ALA 569 2HB ALA 569 13.278 0.397 5.629 131 HB3 ALA 569 3HB ALA 569 12.063 -0.828 5.988 132 H GLU 570 H GLU 570 13.871 2.309 6.411 133 HA GLU 570 HA GLU 570 13.055 4.612 7.951 134 HB2 GLU 570 1HB GLU 570 14.943 5.646 7.166 135 HB3 GLU 570 2HB GLU 570 15.430 3.966 6.988 136 HG2 GLU 570 1HG GLU 570 14.624 4.100 4.609 137 HG3 GLU 570 2HG GLU 570 14.463 5.839 4.849 138 H GLY 571 H GLY 571 12.533 3.317 4.745 139 HA2 GLY 571 1HA GLY 571 11.030 5.738 4.003 140 HA3 GLY 571 2HA GLY 571 11.635 4.533 2.875 141 H GLU 572 H GLU 572 10.303 3.095 5.611 142 HA GLU 572 HA GLU 572 8.013 2.200 4.071 143 HB2 GLU 572 1HB GLU 572 9.582 1.182 6.271 144 HB3 GLU 572 2HB GLU 572 7.869 1.122 6.659 145 HG2 GLU 572 1HG GLU 572 7.487 -0.553 5.242 146 HG3 GLU 572 2HG GLU 572 8.473 0.173 3.973 147 H ILE 573 H ILE 573 5.851 2.384 4.739 148 HA ILE 573 HA ILE 573 5.348 4.496 6.732 149 HB ILE 573 HB ILE 573 3.313 5.076 5.381 150 HG12 ILE 573 1HG1 ILE 573 4.563 3.853 2.981 151 HG13 ILE 573 2HG1 ILE 573 3.715 2.765 4.073 152 HG21 ILE 573 1HG2 ILE 573 4.656 6.259 3.577 153 HG22 ILE 573 2HG2 ILE 573 5.123 6.569 5.247 154 HG23 ILE 573 3HG2 ILE 573 6.072 5.459 4.258 155 HD11 ILE 573 1HD1 ILE 573 2.634 4.400 2.066 156 HD12 ILE 573 2HD1 ILE 573 1.775 3.381 3.221 157 HD13 ILE 573 3HD1 ILE 573 2.102 5.070 3.609 158 H SER 574 H SER 574 3.029 4.449 7.531 159 HA SER 574 HA SER 574 2.446 1.739 8.391 160 HB2 SER 574 1HB SER 574 1.142 2.694 10.099 161 HB3 SER 574 2HB SER 574 2.465 3.843 9.893 162 HG SER 574 HG SER 574 -0.180 4.225 9.578 163 H LEU 575 H LEU 575 0.230 0.912 8.386 164 HA LEU 575 HA LEU 575 -1.254 1.799 5.997 165 HB2 LEU 575 1HB LEU 575 -0.607 -0.910 7.057 166 HB3 LEU 575 2HB LEU 575 -2.124 -0.680 6.188 167 HG LEU 575 HG LEU 575 0.128 -1.457 4.993 168 HD11 LEU 575 1HD1 LEU 575 -0.833 -0.353 2.899 169 HD12 LEU 575 2HD1 LEU 575 -2.086 0.285 3.963 170 HD13 LEU 575 3HD1 LEU 575 -1.880 -1.457 3.794 171 HD21 LEU 575 1HD2 LEU 575 0.172 1.538 4.661 172 HD22 LEU 575 2HD2 LEU 575 1.260 0.366 3.918 173 HD23 LEU 575 3HD2 LEU 575 1.303 0.629 5.663 174 H SER 576 H SER 576 -3.615 0.940 6.104 175 HA SER 576 HA SER 576 -4.735 0.960 8.785 176 HB2 SER 576 1HB SER 576 -4.916 3.246 6.905 177 HB3 SER 576 2HB SER 576 -6.412 2.785 7.718 178 HG SER 576 HG SER 576 -5.461 3.157 9.676 179 H LYS 577 H LYS 577 -6.191 -0.604 8.832 180 HA LYS 577 HA LYS 577 -7.107 -2.024 6.627 181 HB2 LYS 577 1HB LYS 577 -7.202 -2.475 9.249 182 HB3 LYS 577 2HB LYS 577 -8.844 -1.877 9.044 183 HG2 LYS 577 1HG LYS 577 -7.866 -3.987 7.191 184 HG3 LYS 577 2HG LYS 577 -8.278 -4.436 8.848 185 HD2 LYS 577 1HD LYS 577 -10.436 -2.974 8.260 186 HD3 LYS 577 2HD LYS 577 -10.020 -3.518 6.634 187 HE2 LYS 577 1HE LYS 577 -10.494 -5.694 7.094 188 HE3 LYS 577 2HE LYS 577 -10.010 -5.556 8.782 189 HZ1 LYS 577 1HZ LYS 577 -12.129 -4.064 8.904 190 HZ2 LYS 577 2HZ LYS 577 -12.263 -5.747 8.985 191 HZ3 LYS 577 3HZ LYS 577 -12.593 -4.943 7.534 192 H GLY 578 H GLY 578 -8.522 -1.555 5.082 193 HA2 GLY 578 1HA GLY 578 -10.600 -0.864 4.228 194 HA3 GLY 578 2HA GLY 578 -10.882 0.042 5.708 195 H GLU 579 H GLU 579 -7.864 0.886 4.988 196 HA GLU 579 HA GLU 579 -8.681 3.410 3.865 197 HB2 GLU 579 1HB GLU 579 -6.740 2.775 5.600 198 HB3 GLU 579 2HB GLU 579 -5.801 2.724 4.116 199 HG2 GLU 579 1HG GLU 579 -5.696 4.904 5.233 200 HG3 GLU 579 2HG GLU 579 -6.381 5.004 3.611 201 H LYS 580 H LYS 580 -8.427 4.121 1.823 202 HA LYS 580 HA LYS 580 -7.798 2.190 -0.217 203 HB2 LYS 580 1HB LYS 580 -9.578 4.127 -0.217 204 HB3 LYS 580 2HB LYS 580 -8.229 5.093 -0.801 205 HG2 LYS 580 1HG LYS 580 -9.434 4.330 -2.695 206 HG3 LYS 580 2HG LYS 580 -7.927 3.415 -2.630 207 HD2 LYS 580 1HD LYS 580 -9.758 1.926 -3.156 208 HD3 LYS 580 2HD LYS 580 -9.142 1.557 -1.542 209 HE2 LYS 580 1HE LYS 580 -11.030 2.296 -0.505 210 HE3 LYS 580 2HE LYS 580 -11.368 3.507 -1.740 211 HZ1 LYS 580 1HZ LYS 580 -11.577 0.908 -2.835 212 HZ2 LYS 580 2HZ LYS 580 -12.754 2.117 -2.737 213 HZ3 LYS 580 3HZ LYS 580 -12.555 1.027 -1.459 214 H ILE 581 H ILE 581 -5.667 1.714 -0.344 215 HA ILE 581 HA ILE 581 -3.671 3.818 -0.226 216 HB ILE 581 HB ILE 581 -3.035 0.976 -0.917 217 HG12 ILE 581 1HG1 ILE 581 -4.537 0.733 0.952 218 HG13 ILE 581 2HG1 ILE 581 -2.893 0.511 1.540 219 HG21 ILE 581 1HG2 ILE 581 -1.110 1.656 0.713 220 HG22 ILE 581 2HG2 ILE 581 -1.106 2.228 -0.954 221 HG23 ILE 581 3HG2 ILE 581 -1.644 3.295 0.342 222 HD11 ILE 581 1HD1 ILE 581 -3.313 2.024 3.091 223 HD12 ILE 581 2HD1 ILE 581 -3.446 3.239 1.820 224 HD13 ILE 581 3HD1 ILE 581 -4.884 2.384 2.377 225 H LYS 582 H LYS 582 -2.849 4.821 -1.935 226 HA LYS 582 HA LYS 582 -3.473 3.781 -4.606 227 HB2 LYS 582 1HB LYS 582 -4.243 6.032 -4.253 228 HB3 LYS 582 2HB LYS 582 -2.665 6.532 -3.656 229 HG2 LYS 582 1HG LYS 582 -3.135 7.288 -5.958 230 HG3 LYS 582 2HG LYS 582 -1.694 6.278 -5.834 231 HD2 LYS 582 1HD LYS 582 -2.685 4.498 -6.913 232 HD3 LYS 582 2HD LYS 582 -4.318 5.002 -6.467 233 HE2 LYS 582 1HE LYS 582 -2.534 6.373 -8.478 234 HE3 LYS 582 2HE LYS 582 -3.886 5.308 -8.861 235 HZ1 LYS 582 1HZ LYS 582 -3.928 8.032 -7.751 236 HZ2 LYS 582 2HZ LYS 582 -5.213 6.981 -7.423 237 HZ3 LYS 582 3HZ LYS 582 -4.833 7.380 -9.023 238 H VAL 583 H VAL 583 -1.888 2.384 -5.160 239 HA VAL 583 HA VAL 583 0.830 2.634 -4.447 240 HB VAL 583 HB VAL 583 -0.357 1.107 -6.769 241 HG11 VAL 583 1HG1 VAL 583 2.264 0.682 -5.340 242 HG12 VAL 583 2HG1 VAL 583 1.656 -0.211 -6.736 243 HG13 VAL 583 3HG1 VAL 583 2.092 1.491 -6.899 244 HG21 VAL 583 1HG2 VAL 583 -0.852 0.741 -4.085 245 HG22 VAL 583 2HG2 VAL 583 -1.046 -0.473 -5.348 246 HG23 VAL 583 3HG2 VAL 583 0.448 -0.403 -4.414 247 H LEU 584 H LEU 584 2.447 3.779 -5.297 248 HA LEU 584 HA LEU 584 1.982 5.123 -7.879 249 HB2 LEU 584 1HB LEU 584 3.749 6.091 -5.642 250 HB3 LEU 584 2HB LEU 584 3.316 6.961 -7.113 251 HG LEU 584 HG LEU 584 1.407 6.241 -4.888 252 HD11 LEU 584 1HD1 LEU 584 1.798 9.050 -5.344 253 HD12 LEU 584 2HD1 LEU 584 3.336 8.267 -4.983 254 HD13 LEU 584 3HD1 LEU 584 1.987 8.117 -3.858 255 HD21 LEU 584 1HD2 LEU 584 0.083 6.377 -6.782 256 HD22 LEU 584 2HD2 LEU 584 1.096 7.611 -7.531 257 HD23 LEU 584 3HD2 LEU 584 0.048 8.033 -6.175 258 H SER 585 H SER 585 4.147 3.223 -5.941 259 HA SER 585 HA SER 585 5.882 2.885 -8.281 260 HB2 SER 585 1HB SER 585 6.629 4.090 -5.742 261 HB3 SER 585 2HB SER 585 7.618 2.677 -6.109 262 HG SER 585 HG SER 585 8.668 4.047 -7.316 263 H ILE 586 H ILE 586 7.252 0.932 -8.124 264 HA ILE 586 HA ILE 586 6.327 -1.099 -6.248 265 HB ILE 586 HB ILE 586 5.927 -2.746 -8.037 266 HG12 ILE 586 1HG1 ILE 586 6.161 -0.359 -9.883 267 HG13 ILE 586 2HG1 ILE 586 7.300 -1.697 -9.786 268 HG21 ILE 586 1HG2 ILE 586 4.122 -1.282 -7.003 269 HG22 ILE 586 2HG2 ILE 586 4.164 -0.360 -8.505 270 HG23 ILE 586 3HG2 ILE 586 3.732 -2.069 -8.531 271 HD11 ILE 586 1HD1 ILE 586 4.773 -2.834 -10.226 272 HD12 ILE 586 2HD1 ILE 586 4.915 -1.465 -11.329 273 HD13 ILE 586 3HD1 ILE 586 6.135 -2.740 -11.342 274 H GLY 587 H GLY 587 7.716 -2.931 -6.102 275 HA2 GLY 587 1HA GLY 587 10.332 -2.575 -7.426 276 HA3 GLY 587 2HA GLY 587 10.217 -2.916 -5.705 277 H GLU 588 H GLU 588 9.763 -4.988 -5.006 278 HA GLU 588 HA GLU 588 8.844 -7.101 -6.579 279 HB2 GLU 588 1HB GLU 588 11.387 -6.417 -7.367 280 HB3 GLU 588 2HB GLU 588 11.689 -7.707 -6.211 281 HG2 GLU 588 1HG GLU 588 11.537 -8.728 -8.325 282 HG3 GLU 588 2HG GLU 588 10.029 -9.095 -7.488 283 H GLY 589 H GLY 589 8.554 -8.959 -5.382 284 HA2 GLY 589 1HA GLY 589 8.914 -10.422 -3.567 285 HA3 GLY 589 2HA GLY 589 9.890 -9.184 -2.791 286 H GLY 590 H GLY 590 6.570 -9.090 -4.074 287 HA2 GLY 590 1HA GLY 590 4.591 -8.488 -3.082 288 HA3 GLY 590 2HA GLY 590 5.227 -9.252 -1.632 289 H PHE 591 H PHE 591 7.072 -6.669 -2.933 290 HA PHE 591 HA PHE 591 5.947 -4.831 -0.925 291 HB2 PHE 591 1HB PHE 591 8.490 -5.965 -0.867 292 HB3 PHE 591 2HB PHE 591 8.755 -4.347 -1.504 293 HD1 PHE 591 1HD PHE 591 7.292 -6.224 1.327 294 HD2 PHE 591 2HD PHE 591 8.704 -2.472 -0.100 295 HE1 PHE 591 1HE PHE 591 7.166 -5.313 3.609 296 HE2 PHE 591 2HE PHE 591 8.579 -1.554 2.179 297 HZ PHE 591 HZ PHE 591 7.811 -2.975 4.037 298 H TRP 592 H TRP 592 5.704 -2.714 -1.509 299 HA TRP 592 HA TRP 592 6.885 -1.642 -3.897 300 HB2 TRP 592 1HB TRP 592 4.748 -1.193 -5.058 301 HB3 TRP 592 2HB TRP 592 5.080 -2.916 -4.920 302 HD1 TRP 592 HD TRP 592 3.953 -2.049 -1.618 303 HE1 TRP 592 1HE TRP 592 1.433 -2.476 -1.312 304 HE3 TRP 592 3HE TRP 592 2.607 -2.507 -6.529 305 HZ2 TRP 592 2HZ TRP 592 -0.827 -2.946 -2.939 306 HZ3 TRP 592 3HZ TRP 592 0.246 -2.946 -7.068 307 HH2 TRP 592 HH TRP 592 -1.434 -3.160 -5.309 308 H GLU 593 H GLU 593 5.949 0.611 -4.347 309 HA GLU 593 HA GLU 593 5.610 1.941 -1.758 310 HB2 GLU 593 1HB GLU 593 7.113 2.531 -4.119 311 HB3 GLU 593 2HB GLU 593 5.959 3.830 -3.849 312 HG2 GLU 593 1HG GLU 593 7.318 3.022 -1.415 313 HG3 GLU 593 2HG GLU 593 8.428 3.570 -2.669 314 H GLY 594 H GLY 594 3.938 3.356 -1.337 315 HA2 GLY 594 1HA GLY 594 1.988 3.982 -3.383 316 HA3 GLY 594 2HA GLY 594 1.416 2.866 -2.153 317 H GLN 595 H GLN 595 -0.115 4.837 -2.055 318 HA GLN 595 HA GLN 595 0.892 6.605 0.070 319 HB2 GLN 595 1HB GLN 595 0.815 8.020 -1.826 320 HB3 GLN 595 2HB GLN 595 -0.718 7.347 -2.365 321 HG2 GLN 595 1HG GLN 595 -1.935 8.513 -0.772 322 HG3 GLN 595 2HG GLN 595 -0.522 8.793 0.245 323 HE21 GLN 595 1HE2 GLN 595 -0.946 12.044 -1.111 324 HE22 GLN 595 2HE2 GLN 595 -1.444 11.003 0.174 325 H VAL 596 H VAL 596 -0.397 6.816 1.810 326 HA VAL 596 HA VAL 596 -3.147 5.779 1.633 327 HB VAL 596 HB VAL 596 -1.843 4.052 2.702 328 HG11 VAL 596 1HG1 VAL 596 -1.036 5.245 5.135 329 HG12 VAL 596 2HG1 VAL 596 -0.023 4.545 3.871 330 HG13 VAL 596 3HG1 VAL 596 -0.434 6.260 3.825 331 HG21 VAL 596 1HG2 VAL 596 -4.116 5.130 3.715 332 HG22 VAL 596 2HG2 VAL 596 -3.366 3.647 4.310 333 HG23 VAL 596 3HG2 VAL 596 -3.060 5.179 5.127 334 H LYS 597 H LYS 597 -4.465 7.428 2.010 335 HA LYS 597 HA LYS 597 -5.175 9.502 2.720 336 HB2 LYS 597 1HB LYS 597 -5.340 9.537 5.269 337 HB3 LYS 597 2HB LYS 597 -6.122 8.199 4.439 338 HG2 LYS 597 1HG LYS 597 -5.066 7.139 6.186 339 HG3 LYS 597 2HG LYS 597 -3.894 6.950 4.880 340 HD2 LYS 597 1HD LYS 597 -2.762 7.622 6.913 341 HD3 LYS 597 2HD LYS 597 -2.677 8.922 5.723 342 HE2 LYS 597 1HE LYS 597 -3.455 10.264 7.323 343 HE3 LYS 597 2HE LYS 597 -5.006 9.455 7.111 344 HZ1 LYS 597 1HZ LYS 597 -4.565 8.017 8.896 345 HZ2 LYS 597 2HZ LYS 597 -4.111 9.551 9.445 346 HZ3 LYS 597 3HZ LYS 597 -2.929 8.442 8.960 347 H GLY 598 H GLY 598 -2.430 9.575 1.962 348 HA2 GLY 598 1HA GLY 598 -1.232 11.717 2.102 349 HA3 GLY 598 2HA GLY 598 -1.450 11.632 3.845 350 H ARG 599 H ARG 599 -0.668 9.189 4.555 351 HA ARG 599 HA ARG 599 2.115 9.321 4.541 352 HB2 ARG 599 1HB ARG 599 0.092 7.329 5.384 353 HB3 ARG 599 2HB ARG 599 1.720 6.719 5.126 354 HG2 ARG 599 1HG ARG 599 2.301 8.861 6.614 355 HG3 ARG 599 2HG ARG 599 0.676 8.521 7.215 356 HD2 ARG 599 1HD ARG 599 1.284 6.331 7.883 357 HD3 ARG 599 2HD ARG 599 2.810 6.412 7.003 358 HE ARG 599 HE ARG 599 2.263 7.448 9.628 359 HH11 ARG 599 1HH1 ARG 599 5.619 8.412 7.670 360 HH12 ARG 599 2HH1 ARG 599 4.291 7.706 6.811 361 HH21 ARG 599 1HH2 ARG 599 5.456 8.793 9.923 362 HH22 ARG 599 2HH2 ARG 599 4.005 8.377 10.771 363 H VAL 600 H VAL 600 3.268 9.253 2.710 364 HA VAL 600 HA VAL 600 2.707 7.084 0.794 365 HB VAL 600 HB VAL 600 4.209 9.634 0.208 366 HG11 VAL 600 1HG1 VAL 600 4.687 7.698 -1.246 367 HG12 VAL 600 2HG1 VAL 600 2.970 7.597 -1.639 368 HG13 VAL 600 3HG1 VAL 600 3.900 9.019 -2.109 369 HG21 VAL 600 1HG2 VAL 600 1.386 9.220 0.533 370 HG22 VAL 600 2HG2 VAL 600 2.262 10.708 0.173 371 HG23 VAL 600 3HG2 VAL 600 1.750 9.644 -1.139 372 H GLY 601 H GLY 601 4.132 5.481 0.784 373 HA2 GLY 601 1HA GLY 601 6.941 5.905 0.709 374 HA3 GLY 601 2HA GLY 601 6.448 5.363 2.306 375 H TRP 602 H TRP 602 7.535 3.405 2.152 376 HA TRP 602 HA TRP 602 6.623 1.558 0.057 377 HB2 TRP 602 1HB TRP 602 8.999 1.366 1.924 378 HB3 TRP 602 2HB TRP 602 8.576 0.180 0.692 379 HD1 TRP 602 HD TRP 602 9.201 4.025 0.683 380 HE1 TRP 602 1HE TRP 602 10.653 4.574 -1.371 381 HE3 TRP 602 3HE TRP 602 9.673 -0.680 -1.262 382 HZ2 TRP 602 2HZ TRP 602 11.840 3.197 -3.530 383 HZ3 TRP 602 3HZ TRP 602 10.983 -0.978 -3.324 384 HH2 TRP 602 HH TRP 602 12.042 0.921 -4.433 385 H PHE 603 H PHE 603 5.967 -0.572 0.604 386 HA PHE 603 HA PHE 603 5.712 -1.540 3.228 387 HB2 PHE 603 1HB PHE 603 3.312 -1.281 3.600 388 HB3 PHE 603 2HB PHE 603 4.081 0.297 3.454 389 HD1 PHE 603 1HD PHE 603 3.617 1.740 1.588 390 HD2 PHE 603 2HD PHE 603 1.839 -2.118 1.859 391 HE1 PHE 603 1HE PHE 603 2.021 2.354 -0.180 392 HE2 PHE 603 2HE PHE 603 0.241 -1.509 0.092 393 HZ PHE 603 HZ PHE 603 0.330 0.730 -0.932 394 HA PRO 604 HA PRO 604 4.842 -5.235 1.030 395 HB2 PRO 604 1HB PRO 604 3.420 -6.643 2.862 396 HB3 PRO 604 2HB PRO 604 5.157 -6.356 3.009 397 HG2 PRO 604 1HG PRO 604 2.882 -4.928 4.332 398 HG3 PRO 604 2HG PRO 604 4.425 -5.458 5.027 399 HD2 PRO 604 1HD PRO 604 3.968 -2.896 4.279 400 HD3 PRO 604 2HD PRO 604 5.572 -3.648 4.179 401 H SER 605 H SER 605 3.431 -5.701 -0.533 402 HA SER 605 HA SER 605 0.882 -4.456 -0.672 403 HB2 SER 605 1HB SER 605 0.910 -5.101 -2.846 404 HB3 SER 605 2HB SER 605 2.589 -5.527 -2.516 405 HG SER 605 HG SER 605 1.677 -7.326 -3.382 406 H ASP 606 H ASP 606 1.937 -7.197 0.939 407 HA ASP 606 HA ASP 606 -0.137 -9.026 0.634 408 HB2 ASP 606 1HB ASP 606 1.787 -9.738 1.821 409 HB3 ASP 606 2HB ASP 606 1.667 -8.406 2.967 410 H CYS 607 H CYS 607 0.054 -6.107 2.568 411 HA CYS 607 HA CYS 607 -2.469 -6.636 3.890 412 HB2 CYS 607 1HB CYS 607 -0.920 -4.048 3.936 413 HB3 CYS 607 2HB CYS 607 -2.079 -4.639 5.121 414 HG CYS 607 HG CYS 607 -0.162 -6.940 5.513 415 H LEU 608 H LEU 608 -1.737 -5.760 0.863 416 HA LEU 608 HA LEU 608 -3.976 -3.863 0.629 417 HB2 LEU 608 1HB LEU 608 -1.368 -4.062 -0.663 418 HB3 LEU 608 2HB LEU 608 -2.695 -3.846 -1.802 419 HG LEU 608 HG LEU 608 -1.524 -1.745 -1.045 420 HD11 LEU 608 1HD1 LEU 608 -4.349 -2.306 -1.281 421 HD12 LEU 608 2HD1 LEU 608 -3.413 -0.944 -1.898 422 HD13 LEU 608 3HD1 LEU 608 -4.048 -0.905 -0.252 423 HD21 LEU 608 1HD2 LEU 608 -1.589 -1.008 1.096 424 HD22 LEU 608 2HD2 LEU 608 -1.649 -2.739 1.428 425 HD23 LEU 608 3HD2 LEU 608 -3.134 -1.787 1.437 426 H GLU 609 H GLU 609 -5.433 -4.109 -1.158 427 HA GLU 609 HA GLU 609 -5.398 -6.605 -2.629 428 HB2 GLU 609 1HB GLU 609 -7.229 -6.089 -0.355 429 HB3 GLU 609 2HB GLU 609 -7.952 -6.787 -1.798 430 HG2 GLU 609 1HG GLU 609 -5.679 -7.923 -0.190 431 HG3 GLU 609 2HG GLU 609 -7.327 -8.538 -0.279 432 H GLU 610 H GLU 610 -6.748 -6.602 -4.445 433 HA GLU 610 HA GLU 610 -7.114 -4.200 -5.755 434 HB2 GLU 610 1HB GLU 610 -7.838 -6.972 -6.200 435 HB3 GLU 610 2HB GLU 610 -9.079 -5.885 -6.809 436 HG2 GLU 610 1HG GLU 610 -7.850 -5.697 -8.641 437 HG3 GLU 610 2HG GLU 610 -6.724 -4.740 -7.682 438 H VAL 611 H VAL 611 -9.257 -3.341 -6.578 439 HA VAL 611 HA VAL 611 -11.222 -3.266 -4.380 440 HB VAL 611 HB VAL 611 -10.424 -0.984 -6.192 441 HG11 VAL 611 1HG1 VAL 611 -12.435 -1.093 -3.948 442 HG12 VAL 611 2HG1 VAL 611 -11.932 0.367 -4.800 443 HG13 VAL 611 3HG1 VAL 611 -12.793 -0.908 -5.664 444 HG21 VAL 611 1HG2 VAL 611 -10.054 -1.249 -3.213 445 HG22 VAL 611 2HG2 VAL 611 -8.792 -1.595 -4.397 446 HG23 VAL 611 3HG2 VAL 611 -9.452 0.035 -4.260 447 H ALA 612 H ALA 612 -12.777 -4.596 -5.164 448 HA ALA 612 HA ALA 612 -13.775 -4.100 -7.886 449 HB1 ALA 612 1HB ALA 612 -13.259 -6.356 -7.778 450 HB2 ALA 612 2HB ALA 612 -13.818 -6.509 -6.112 451 HB3 ALA 612 3HB ALA 612 -14.986 -6.340 -7.422 452 H ASN 613 H ASN 613 -14.810 -2.143 -6.915 453 HA ASN 613 HA ASN 613 -17.005 -2.520 -5.105 454 HB2 ASN 613 1HB ASN 613 -17.403 -0.161 -5.362 455 HB3 ASN 613 2HB ASN 613 -15.664 -0.408 -5.260 456 HD21 ASN 613 1HD2 ASN 613 -17.189 1.551 -8.332 457 HD22 ASN 613 2HD2 ASN 613 -18.013 1.213 -6.851 Start of MODEL 20 1 H1 MET 553 H MET 553 5.863 1.257 -15.924 2 HA MET 553 HA MET 553 3.801 -0.628 -16.517 3 HB2 MET 553 1HB MET 553 6.365 -0.953 -15.927 4 HB3 MET 553 2HB MET 553 5.734 -1.088 -14.290 5 HG2 MET 553 1HG MET 553 4.499 -2.708 -16.463 6 HG3 MET 553 2HG MET 553 6.050 -3.204 -15.788 7 HE1 MET 553 1HE MET 553 3.863 -5.755 -14.035 8 HE2 MET 553 2HE MET 553 4.617 -5.334 -15.573 9 HE3 MET 553 3HE MET 553 5.591 -5.408 -14.104 10 H VAL 554 H VAL 554 4.472 1.555 -13.890 11 HA VAL 554 HA VAL 554 3.019 0.435 -11.818 12 HB VAL 554 HB VAL 554 3.211 3.373 -12.498 13 HG11 VAL 554 1HG1 VAL 554 1.455 2.816 -10.853 14 HG12 VAL 554 2HG1 VAL 554 2.679 2.043 -9.844 15 HG13 VAL 554 3HG1 VAL 554 2.761 3.777 -10.160 16 HG21 VAL 554 1HG2 VAL 554 5.391 3.107 -12.112 17 HG22 VAL 554 2HG2 VAL 554 4.961 2.802 -10.429 18 HG23 VAL 554 3HG2 VAL 554 5.165 1.452 -11.544 19 HA PRO 555 HA PRO 555 -1.138 0.444 -13.330 20 HB2 PRO 555 1HB PRO 555 -2.372 -0.030 -10.959 21 HB3 PRO 555 2HB PRO 555 -1.504 -1.280 -11.857 22 HG2 PRO 555 1HG PRO 555 -0.592 0.350 -9.518 23 HG3 PRO 555 2HG PRO 555 -0.375 -1.383 -9.826 24 HD2 PRO 555 1HD PRO 555 1.586 0.431 -10.267 25 HD3 PRO 555 2HD PRO 555 1.403 -1.037 -11.252 26 H GLY 556 H GLY 556 -3.214 1.555 -12.906 27 HA2 GLY 556 1HA GLY 556 -2.724 4.247 -11.797 28 HA3 GLY 556 2HA GLY 556 -3.835 3.901 -13.114 29 H ARG 557 H ARG 557 -4.741 1.441 -11.604 30 HA ARG 557 HA ARG 557 -6.952 2.671 -10.298 31 HB2 ARG 557 1HB ARG 557 -7.715 0.432 -9.846 32 HB3 ARG 557 2HB ARG 557 -7.060 0.480 -11.477 33 HG2 ARG 557 1HG ARG 557 -4.959 -0.496 -10.623 34 HG3 ARG 557 2HG ARG 557 -5.700 -0.620 -9.026 35 HD2 ARG 557 1HD ARG 557 -6.140 -2.716 -9.809 36 HD3 ARG 557 2HD ARG 557 -7.579 -1.881 -10.392 37 HE ARG 557 HE ARG 557 -6.849 -2.190 -12.541 38 HH11 ARG 557 1HH1 ARG 557 -3.176 -3.445 -11.560 39 HH12 ARG 557 2HH1 ARG 557 -4.228 -2.816 -10.336 40 HH21 ARG 557 1HH2 ARG 557 -3.884 -3.558 -13.735 41 HH22 ARG 557 2HH2 ARG 557 -5.472 -3.017 -14.161 42 H SER 558 H SER 558 -7.600 2.264 -8.061 43 HA SER 558 HA SER 558 -5.274 2.376 -6.266 44 HB2 SER 558 1HB SER 558 -7.105 3.333 -4.663 45 HB3 SER 558 2HB SER 558 -6.447 4.362 -5.935 46 HG SER 558 HG SER 558 -8.925 2.997 -5.883 47 H PHE 559 H PHE 559 -4.994 0.903 -4.700 48 HA PHE 559 HA PHE 559 -6.960 -1.262 -4.523 49 HB2 PHE 559 1HB PHE 559 -4.034 -1.072 -3.834 50 HB3 PHE 559 2HB PHE 559 -5.031 -2.405 -3.260 51 HD1 PHE 559 1HD PHE 559 -4.446 -0.595 -6.475 52 HD2 PHE 559 2HD PHE 559 -4.903 -4.330 -4.485 53 HE1 PHE 559 1HE PHE 559 -4.092 -1.771 -8.607 54 HE2 PHE 559 2HE PHE 559 -4.548 -5.511 -6.614 55 HZ PHE 559 HZ PHE 559 -4.140 -4.232 -8.678 56 H MET 560 H MET 560 -7.293 -2.253 -2.359 57 HA MET 560 HA MET 560 -7.371 -0.172 -0.272 58 HB2 MET 560 1HB MET 560 -9.599 -0.817 -1.135 59 HB3 MET 560 2HB MET 560 -9.283 -2.480 -0.660 60 HG2 MET 560 1HG MET 560 -8.944 -1.532 1.698 61 HG3 MET 560 2HG MET 560 -9.737 -0.087 1.076 62 HE1 MET 560 1HE MET 560 -10.831 -3.718 2.741 63 HE2 MET 560 2HE MET 560 -11.411 -4.293 1.179 64 HE3 MET 560 3HE MET 560 -9.740 -3.758 1.356 65 H ALA 561 H ALA 561 -6.770 -0.702 1.803 66 HA ALA 561 HA ALA 561 -5.106 -3.063 2.056 67 HB1 ALA 561 1HB ALA 561 -5.048 -1.816 4.501 68 HB2 ALA 561 2HB ALA 561 -3.921 -1.532 3.173 69 HB3 ALA 561 3HB ALA 561 -5.319 -0.478 3.385 70 H VAL 562 H VAL 562 -5.681 -4.896 3.027 71 HA VAL 562 HA VAL 562 -8.301 -5.050 4.296 72 HB VAL 562 HB VAL 562 -8.074 -7.451 4.161 73 HG11 VAL 562 1HG1 VAL 562 -8.884 -6.459 2.161 74 HG12 VAL 562 2HG1 VAL 562 -7.259 -5.993 1.655 75 HG13 VAL 562 3HG1 VAL 562 -7.721 -7.695 1.682 76 HG21 VAL 562 1HG2 VAL 562 -5.231 -6.784 3.773 77 HG22 VAL 562 2HG2 VAL 562 -5.975 -8.185 4.542 78 HG23 VAL 562 3HG2 VAL 562 -5.846 -8.110 2.785 79 H LYS 563 H LYS 563 -5.169 -4.510 5.254 80 HA LYS 563 HA LYS 563 -5.821 -5.199 8.010 81 HB2 LYS 563 1HB LYS 563 -3.538 -6.200 8.326 82 HB3 LYS 563 2HB LYS 563 -4.637 -7.167 7.351 83 HG2 LYS 563 1HG LYS 563 -3.528 -6.066 5.330 84 HG3 LYS 563 2HG LYS 563 -2.277 -5.546 6.461 85 HD2 LYS 563 1HD LYS 563 -3.138 -8.397 5.960 86 HD3 LYS 563 2HD LYS 563 -1.665 -7.639 5.349 87 HE2 LYS 563 1HE LYS 563 -1.377 -7.119 7.962 88 HE3 LYS 563 2HE LYS 563 -2.330 -8.598 8.069 89 HZ1 LYS 563 1HZ LYS 563 0.412 -8.233 7.259 90 HZ2 LYS 563 2HZ LYS 563 -0.473 -9.241 6.228 91 HZ3 LYS 563 3HZ LYS 563 -0.359 -9.605 7.876 92 H SER 564 H SER 564 -3.711 -4.502 9.380 93 HA SER 564 HA SER 564 -3.099 -1.762 8.487 94 HB2 SER 564 1HB SER 564 -3.259 -1.006 10.673 95 HB3 SER 564 2HB SER 564 -4.479 -2.278 10.668 96 HG SER 564 HG SER 564 -1.985 -2.202 11.904 97 H TYR 565 H TYR 565 -1.028 -1.120 8.329 98 HA TYR 565 HA TYR 565 1.048 -3.033 9.174 99 HB2 TYR 565 1HB TYR 565 0.787 -2.770 6.701 100 HB3 TYR 565 2HB TYR 565 1.211 -1.072 6.878 101 HD1 TYR 565 1HD TYR 565 2.475 -4.524 7.144 102 HD2 TYR 565 2HD TYR 565 3.483 -0.390 7.194 103 HE1 TYR 565 1HE TYR 565 4.858 -5.107 6.965 104 HE2 TYR 565 2HE TYR 565 5.867 -0.963 7.013 105 HH TYR 565 HH TYR 565 6.931 -4.342 6.750 106 H GLN 566 H GLN 566 2.934 -2.236 10.106 107 HA GLN 566 HA GLN 566 2.828 0.587 10.939 108 HB2 GLN 566 1HB GLN 566 2.434 -1.271 12.702 109 HB3 GLN 566 2HB GLN 566 4.163 -1.559 12.564 110 HG2 GLN 566 1HG GLN 566 3.154 1.199 13.088 111 HG3 GLN 566 2HG GLN 566 3.247 0.027 14.401 112 HE21 GLN 566 1HE2 GLN 566 6.871 -0.265 13.998 113 HE22 GLN 566 2HE2 GLN 566 5.497 -1.312 13.983 114 H ALA 567 H ALA 567 4.352 1.701 9.924 115 HA ALA 567 HA ALA 567 6.499 0.737 8.504 116 HB1 ALA 567 1HB ALA 567 7.454 2.996 8.663 117 HB2 ALA 567 2HB ALA 567 5.727 3.025 8.299 118 HB3 ALA 567 3HB ALA 567 6.292 3.385 9.932 119 H GLN 568 H GLN 568 8.458 -0.050 8.971 120 HA GLN 568 HA GLN 568 9.425 0.198 11.742 121 HB2 GLN 568 1HB GLN 568 9.984 -2.164 9.959 122 HB3 GLN 568 2HB GLN 568 10.242 -2.029 11.693 123 HG2 GLN 568 1HG GLN 568 7.649 -1.682 11.743 124 HG3 GLN 568 2HG GLN 568 7.724 -2.495 10.181 125 HE21 GLN 568 1HE2 GLN 568 7.479 -4.753 13.303 126 HE22 GLN 568 2HE2 GLN 568 6.827 -3.172 13.056 127 H ALA 569 H ALA 569 10.240 0.059 8.334 128 HA ALA 569 HA ALA 569 13.063 0.489 8.837 129 HB1 ALA 569 1HB ALA 569 11.964 0.788 6.106 130 HB2 ALA 569 2HB ALA 569 13.412 -0.051 6.663 131 HB3 ALA 569 3HB ALA 569 11.829 -0.802 6.856 132 H GLU 570 H GLU 570 13.823 2.221 6.883 133 HA GLU 570 HA GLU 570 12.943 4.757 7.997 134 HB2 GLU 570 1HB GLU 570 14.918 5.658 7.228 135 HB3 GLU 570 2HB GLU 570 15.395 3.981 7.455 136 HG2 GLU 570 1HG GLU 570 16.261 4.382 5.388 137 HG3 GLU 570 2HG GLU 570 14.674 3.754 4.951 138 H GLY 571 H GLY 571 12.657 2.908 5.062 139 HA2 GLY 571 1HA GLY 571 11.311 5.185 3.758 140 HA3 GLY 571 2HA GLY 571 12.026 3.822 2.910 141 H GLU 572 H GLU 572 10.256 3.083 5.751 142 HA GLU 572 HA GLU 572 8.088 2.007 4.083 143 HB2 GLU 572 1HB GLU 572 9.446 1.081 6.545 144 HB3 GLU 572 2HB GLU 572 7.712 0.798 6.468 145 HG2 GLU 572 1HG GLU 572 8.520 -1.137 5.560 146 HG3 GLU 572 2HG GLU 572 8.255 -0.169 4.113 147 H ILE 573 H ILE 573 5.929 2.301 4.665 148 HA ILE 573 HA ILE 573 5.445 4.398 6.679 149 HB ILE 573 HB ILE 573 3.485 5.085 5.265 150 HG12 ILE 573 1HG1 ILE 573 4.779 3.888 2.880 151 HG13 ILE 573 2HG1 ILE 573 3.878 2.786 3.915 152 HG21 ILE 573 1HG2 ILE 573 6.283 5.379 4.199 153 HG22 ILE 573 2HG2 ILE 573 4.911 6.298 3.586 154 HG23 ILE 573 3HG2 ILE 573 5.408 6.476 5.268 155 HD11 ILE 573 1HD1 ILE 573 2.914 4.657 1.980 156 HD12 ILE 573 2HD1 ILE 573 2.035 3.418 2.876 157 HD13 ILE 573 3HD1 ILE 573 2.240 5.028 3.565 158 H SER 574 H SER 574 3.300 4.377 7.647 159 HA SER 574 HA SER 574 2.490 1.684 8.293 160 HB2 SER 574 1HB SER 574 1.336 2.604 10.093 161 HB3 SER 574 2HB SER 574 2.642 3.769 9.868 162 HG SER 574 HG SER 574 0.209 4.408 9.991 163 H LEU 575 H LEU 575 0.027 1.306 8.499 164 HA LEU 575 HA LEU 575 -1.450 2.445 6.247 165 HB2 LEU 575 1HB LEU 575 -0.627 -0.389 6.573 166 HB3 LEU 575 2HB LEU 575 -2.239 -0.070 5.937 167 HG LEU 575 HG LEU 575 -0.791 1.521 4.324 168 HD11 LEU 575 1HD1 LEU 575 1.279 0.539 3.720 169 HD12 LEU 575 2HD1 LEU 575 1.005 -0.849 4.771 170 HD13 LEU 575 3HD1 LEU 575 1.305 0.740 5.471 171 HD21 LEU 575 1HD2 LEU 575 -0.863 -1.365 3.614 172 HD22 LEU 575 2HD2 LEU 575 -1.343 0.045 2.669 173 HD23 LEU 575 3HD2 LEU 575 -2.387 -0.548 3.960 174 H SER 576 H SER 576 -3.781 1.561 6.278 175 HA SER 576 HA SER 576 -4.697 1.040 9.013 176 HB2 SER 576 1HB SER 576 -5.294 3.435 7.354 177 HB3 SER 576 2HB SER 576 -6.637 2.738 8.260 178 HG SER 576 HG SER 576 -5.269 4.394 9.338 179 H LYS 577 H LYS 577 -6.053 -0.617 9.038 180 HA LYS 577 HA LYS 577 -6.881 -2.041 6.821 181 HB2 LYS 577 1HB LYS 577 -6.911 -2.666 9.340 182 HB3 LYS 577 2HB LYS 577 -8.532 -1.983 9.329 183 HG2 LYS 577 1HG LYS 577 -7.816 -4.026 7.286 184 HG3 LYS 577 2HG LYS 577 -8.147 -4.539 8.942 185 HD2 LYS 577 1HD LYS 577 -10.199 -2.770 8.368 186 HD3 LYS 577 2HD LYS 577 -9.978 -3.667 6.864 187 HE2 LYS 577 1HE LYS 577 -11.560 -4.887 8.118 188 HE3 LYS 577 2HE LYS 577 -10.042 -5.771 8.265 189 HZ1 LYS 577 1HZ LYS 577 -11.041 -5.653 10.402 190 HZ2 LYS 577 2HZ LYS 577 -11.272 -3.983 10.286 191 HZ3 LYS 577 3HZ LYS 577 -9.706 -4.613 10.419 192 H GLY 578 H GLY 578 -8.343 -1.687 5.285 193 HA2 GLY 578 1HA GLY 578 -10.461 -1.133 4.434 194 HA3 GLY 578 2HA GLY 578 -10.799 -0.245 5.913 195 H GLU 579 H GLU 579 -7.816 0.743 5.106 196 HA GLU 579 HA GLU 579 -8.814 3.217 3.981 197 HB2 GLU 579 1HB GLU 579 -6.930 2.852 5.782 198 HB3 GLU 579 2HB GLU 579 -5.902 2.653 4.370 199 HG2 GLU 579 1HG GLU 579 -5.898 4.946 5.259 200 HG3 GLU 579 2HG GLU 579 -6.451 4.852 3.588 201 H LYS 580 H LYS 580 -8.507 3.960 1.946 202 HA LYS 580 HA LYS 580 -7.752 2.041 -0.069 203 HB2 LYS 580 1HB LYS 580 -9.634 3.837 -0.162 204 HB3 LYS 580 2HB LYS 580 -8.339 4.933 -0.623 205 HG2 LYS 580 1HG LYS 580 -9.352 4.158 -2.618 206 HG3 LYS 580 2HG LYS 580 -7.786 3.356 -2.485 207 HD2 LYS 580 1HD LYS 580 -9.396 1.724 -3.172 208 HD3 LYS 580 2HD LYS 580 -8.960 1.387 -1.495 209 HE2 LYS 580 1HE LYS 580 -11.371 1.192 -1.854 210 HE3 LYS 580 2HE LYS 580 -10.988 2.494 -0.729 211 HZ1 LYS 580 1HZ LYS 580 -11.271 3.145 -3.573 212 HZ2 LYS 580 2HZ LYS 580 -11.621 4.086 -2.212 213 HZ3 LYS 580 3HZ LYS 580 -12.675 2.848 -2.678 214 H ILE 581 H ILE 581 -5.674 1.684 -0.488 215 HA ILE 581 HA ILE 581 -3.750 3.876 -0.234 216 HB ILE 581 HB ILE 581 -2.933 1.079 -0.897 217 HG12 ILE 581 1HG1 ILE 581 -4.516 0.751 0.911 218 HG13 ILE 581 2HG1 ILE 581 -2.881 0.555 1.532 219 HG21 ILE 581 1HG2 ILE 581 -1.024 1.721 0.575 220 HG22 ILE 581 2HG2 ILE 581 -1.204 2.727 -0.861 221 HG23 ILE 581 3HG2 ILE 581 -1.736 3.328 0.709 222 HD11 ILE 581 1HD1 ILE 581 -4.943 2.418 2.309 223 HD12 ILE 581 2HD1 ILE 581 -3.454 1.965 3.140 224 HD13 ILE 581 3HD1 ILE 581 -3.431 3.238 1.919 225 H LYS 582 H LYS 582 -2.896 4.862 -1.945 226 HA LYS 582 HA LYS 582 -3.492 3.786 -4.608 227 HB2 LYS 582 1HB LYS 582 -4.303 6.016 -4.328 228 HB3 LYS 582 2HB LYS 582 -2.771 6.554 -3.651 229 HG2 LYS 582 1HG LYS 582 -3.118 7.315 -5.963 230 HG3 LYS 582 2HG LYS 582 -1.684 6.299 -5.786 231 HD2 LYS 582 1HD LYS 582 -2.685 4.490 -6.861 232 HD3 LYS 582 2HD LYS 582 -4.316 5.111 -6.590 233 HE2 LYS 582 1HE LYS 582 -2.260 6.323 -8.435 234 HE3 LYS 582 2HE LYS 582 -3.619 5.319 -8.937 235 HZ1 LYS 582 1HZ LYS 582 -4.793 7.250 -7.446 236 HZ2 LYS 582 2HZ LYS 582 -4.704 7.241 -9.135 237 HZ3 LYS 582 3HZ LYS 582 -3.563 8.104 -8.233 238 H VAL 583 H VAL 583 -1.895 2.458 -5.237 239 HA VAL 583 HA VAL 583 0.812 2.693 -4.473 240 HB VAL 583 HB VAL 583 -0.455 1.200 -6.770 241 HG11 VAL 583 1HG1 VAL 583 1.963 -0.015 -6.175 242 HG12 VAL 583 2HG1 VAL 583 1.602 0.966 -7.596 243 HG13 VAL 583 3HG1 VAL 583 2.336 1.709 -6.174 244 HG21 VAL 583 1HG2 VAL 583 0.721 -0.380 -4.661 245 HG22 VAL 583 2HG2 VAL 583 -0.484 0.735 -4.019 246 HG23 VAL 583 3HG2 VAL 583 -0.926 -0.399 -5.294 247 H LEU 584 H LEU 584 2.474 3.802 -5.313 248 HA LEU 584 HA LEU 584 2.004 5.290 -7.813 249 HB2 LEU 584 1HB LEU 584 3.840 6.104 -5.572 250 HB3 LEU 584 2HB LEU 584 3.377 7.059 -6.979 251 HG LEU 584 HG LEU 584 1.481 6.226 -4.784 252 HD11 LEU 584 1HD1 LEU 584 2.421 9.024 -5.170 253 HD12 LEU 584 2HD1 LEU 584 3.443 7.893 -4.285 254 HD13 LEU 584 3HD1 LEU 584 1.806 8.229 -3.722 255 HD21 LEU 584 1HD2 LEU 584 0.307 6.609 -6.826 256 HD22 LEU 584 2HD2 LEU 584 1.225 8.080 -7.145 257 HD23 LEU 584 3HD2 LEU 584 0.080 8.029 -5.805 258 H SER 585 H SER 585 4.135 3.226 -6.019 259 HA SER 585 HA SER 585 5.797 2.915 -8.405 260 HB2 SER 585 1HB SER 585 7.416 4.152 -7.419 261 HB3 SER 585 2HB SER 585 6.682 4.011 -5.822 262 HG SER 585 HG SER 585 8.789 2.929 -6.196 263 H ILE 586 H ILE 586 7.149 0.949 -8.314 264 HA ILE 586 HA ILE 586 6.274 -1.070 -6.396 265 HB ILE 586 HB ILE 586 5.829 -2.720 -8.163 266 HG12 ILE 586 1HG1 ILE 586 6.049 -0.358 -10.044 267 HG13 ILE 586 2HG1 ILE 586 7.204 -1.682 -9.931 268 HG21 ILE 586 1HG2 ILE 586 4.087 -0.320 -8.643 269 HG22 ILE 586 2HG2 ILE 586 3.637 -2.024 -8.642 270 HG23 ILE 586 3HG2 ILE 586 4.050 -1.222 -7.128 271 HD11 ILE 586 1HD1 ILE 586 4.678 -2.846 -10.337 272 HD12 ILE 586 2HD1 ILE 586 4.819 -1.504 -11.473 273 HD13 ILE 586 3HD1 ILE 586 6.041 -2.776 -11.452 274 H GLY 587 H GLY 587 7.673 -2.880 -6.236 275 HA2 GLY 587 1HA GLY 587 10.264 -2.541 -7.614 276 HA3 GLY 587 2HA GLY 587 10.175 -2.879 -5.892 277 H GLU 588 H GLU 588 9.675 -4.949 -5.181 278 HA GLU 588 HA GLU 588 8.763 -7.059 -6.769 279 HB2 GLU 588 1HB GLU 588 10.966 -8.323 -6.944 280 HB3 GLU 588 2HB GLU 588 10.733 -6.993 -8.068 281 HG2 GLU 588 1HG GLU 588 12.080 -5.552 -6.575 282 HG3 GLU 588 2HG GLU 588 12.388 -6.957 -5.556 283 H GLY 589 H GLY 589 8.726 -9.074 -5.651 284 HA2 GLY 589 1HA GLY 589 8.960 -10.480 -3.809 285 HA3 GLY 589 2HA GLY 589 9.914 -9.239 -3.013 286 H GLY 590 H GLY 590 6.610 -9.173 -4.339 287 HA2 GLY 590 1HA GLY 590 4.616 -8.579 -3.371 288 HA3 GLY 590 2HA GLY 590 5.231 -9.360 -1.922 289 H PHE 591 H PHE 591 7.064 -6.741 -3.182 290 HA PHE 591 HA PHE 591 5.918 -4.943 -1.149 291 HB2 PHE 591 1HB PHE 591 8.470 -6.051 -1.099 292 HB3 PHE 591 2HB PHE 591 8.724 -4.428 -1.732 293 HD1 PHE 591 1HD PHE 591 8.717 -2.575 -0.313 294 HD2 PHE 591 2HD PHE 591 7.222 -6.306 1.086 295 HE1 PHE 591 1HE PHE 591 8.590 -1.664 1.970 296 HE2 PHE 591 2HE PHE 591 7.092 -5.401 3.371 297 HZ PHE 591 HZ PHE 591 7.775 -3.077 3.815 298 H TRP 592 H TRP 592 5.734 -2.788 -1.673 299 HA TRP 592 HA TRP 592 6.866 -1.692 -4.066 300 HB2 TRP 592 1HB TRP 592 4.719 -1.221 -5.196 301 HB3 TRP 592 2HB TRP 592 5.044 -2.949 -5.083 302 HD1 TRP 592 HD TRP 592 3.965 -2.153 -1.759 303 HE1 TRP 592 1HE TRP 592 1.444 -2.560 -1.429 304 HE3 TRP 592 3HE TRP 592 2.547 -2.461 -6.660 305 HZ2 TRP 592 2HZ TRP 592 -0.842 -2.958 -3.036 306 HZ3 TRP 592 3HZ TRP 592 0.174 -2.857 -7.179 307 HH2 TRP 592 HH TRP 592 -1.484 -3.100 -5.403 308 H GLU 593 H GLU 593 5.934 0.569 -4.471 309 HA GLU 593 HA GLU 593 5.621 1.859 -1.858 310 HB2 GLU 593 1HB GLU 593 7.110 2.481 -4.221 311 HB3 GLU 593 2HB GLU 593 5.970 3.784 -3.913 312 HG2 GLU 593 1HG GLU 593 7.342 2.917 -1.507 313 HG3 GLU 593 2HG GLU 593 8.448 3.474 -2.761 314 H GLY 594 H GLY 594 3.965 3.288 -1.410 315 HA2 GLY 594 1HA GLY 594 2.002 3.942 -3.438 316 HA3 GLY 594 2HA GLY 594 1.434 2.826 -2.205 317 H GLN 595 H GLN 595 -0.099 4.757 -2.026 318 HA GLN 595 HA GLN 595 0.950 6.531 0.071 319 HB2 GLN 595 1HB GLN 595 0.855 7.952 -1.821 320 HB3 GLN 595 2HB GLN 595 -0.691 7.292 -2.336 321 HG2 GLN 595 1HG GLN 595 -1.874 8.461 -0.721 322 HG3 GLN 595 2HG GLN 595 -0.445 8.724 0.276 323 HE21 GLN 595 1HE2 GLN 595 -0.690 10.971 -3.137 324 HE22 GLN 595 2HE2 GLN 595 -1.068 9.285 -3.166 325 H VAL 596 H VAL 596 -0.320 6.750 1.826 326 HA VAL 596 HA VAL 596 -3.075 5.724 1.681 327 HB VAL 596 HB VAL 596 -1.764 3.984 2.724 328 HG11 VAL 596 1HG1 VAL 596 -0.926 5.168 5.154 329 HG12 VAL 596 2HG1 VAL 596 0.068 4.457 3.882 330 HG13 VAL 596 3HG1 VAL 596 -0.328 6.176 3.837 331 HG21 VAL 596 1HG2 VAL 596 -3.273 3.576 4.340 332 HG22 VAL 596 2HG2 VAL 596 -2.945 5.095 5.173 333 HG23 VAL 596 3HG2 VAL 596 -4.019 5.071 3.775 334 H LYS 597 H LYS 597 -4.387 7.367 2.100 335 HA LYS 597 HA LYS 597 -5.084 9.437 2.833 336 HB2 LYS 597 1HB LYS 597 -5.191 9.467 5.383 337 HB3 LYS 597 2HB LYS 597 -5.985 8.124 4.570 338 HG2 LYS 597 1HG LYS 597 -4.884 7.073 6.296 339 HG3 LYS 597 2HG LYS 597 -3.743 6.887 4.961 340 HD2 LYS 597 1HD LYS 597 -2.565 7.567 6.967 341 HD3 LYS 597 2HD LYS 597 -2.511 8.864 5.770 342 HE2 LYS 597 1HE LYS 597 -3.262 10.212 7.378 343 HE3 LYS 597 2HE LYS 597 -4.812 9.387 7.217 344 HZ1 LYS 597 1HZ LYS 597 -2.637 8.724 9.125 345 HZ2 LYS 597 2HZ LYS 597 -4.029 7.788 8.909 346 HZ3 LYS 597 3HZ LYS 597 -4.156 9.368 9.500 347 H GLY 598 H GLY 598 -2.345 9.497 2.019 348 HA2 GLY 598 1HA GLY 598 -1.142 11.638 2.127 349 HA3 GLY 598 2HA GLY 598 -1.331 11.565 3.872 350 H ARG 599 H ARG 599 -0.548 9.110 4.569 351 HA ARG 599 HA ARG 599 2.237 9.242 4.521 352 HB2 ARG 599 1HB ARG 599 0.221 7.256 5.390 353 HB3 ARG 599 2HB ARG 599 1.840 6.635 5.101 354 HG2 ARG 599 1HG ARG 599 2.418 8.811 6.583 355 HG3 ARG 599 2HG ARG 599 0.835 8.382 7.239 356 HD2 ARG 599 1HD ARG 599 1.563 6.280 7.939 357 HD3 ARG 599 2HD ARG 599 2.965 6.307 6.871 358 HE ARG 599 HE ARG 599 2.813 7.338 9.527 359 HH11 ARG 599 1HH1 ARG 599 5.730 8.571 7.077 360 HH12 ARG 599 2HH1 ARG 599 4.326 7.795 6.424 361 HH21 ARG 599 1HH2 ARG 599 5.918 8.890 9.338 362 HH22 ARG 599 2HH2 ARG 599 4.657 8.359 10.399 363 H VAL 600 H VAL 600 3.373 9.171 2.681 364 HA VAL 600 HA VAL 600 2.780 7.013 0.763 365 HB VAL 600 HB VAL 600 4.291 9.559 0.175 366 HG11 VAL 600 1HG1 VAL 600 3.017 7.562 -1.690 367 HG12 VAL 600 2HG1 VAL 600 4.005 8.955 -2.135 368 HG13 VAL 600 3HG1 VAL 600 4.732 7.595 -1.278 369 HG21 VAL 600 1HG2 VAL 600 2.349 10.640 0.144 370 HG22 VAL 600 2HG2 VAL 600 1.817 9.573 -1.156 371 HG23 VAL 600 3HG2 VAL 600 1.470 9.160 0.523 372 H GLY 601 H GLY 601 4.198 5.405 0.716 373 HA2 GLY 601 1HA GLY 601 7.007 5.812 0.623 374 HA3 GLY 601 2HA GLY 601 6.526 5.259 2.220 375 H TRP 602 H TRP 602 7.620 3.303 2.025 376 HA TRP 602 HA TRP 602 6.675 1.476 -0.071 377 HB2 TRP 602 1HB TRP 602 9.058 1.252 1.780 378 HB3 TRP 602 2HB TRP 602 8.623 0.083 0.537 379 HD1 TRP 602 HD TRP 602 9.265 3.924 0.563 380 HE1 TRP 602 1HE TRP 602 10.711 4.487 -1.490 381 HE3 TRP 602 3HE TRP 602 9.715 -0.764 -1.426 382 HZ2 TRP 602 2HZ TRP 602 11.887 3.126 -3.664 383 HZ3 TRP 602 3HZ TRP 602 11.016 -1.048 -3.494 384 HH2 TRP 602 HH TRP 602 12.078 0.858 -4.590 385 H PHE 603 H PHE 603 6.030 -0.664 0.467 386 HA PHE 603 HA PHE 603 5.772 -1.638 3.089 387 HB2 PHE 603 1HB PHE 603 3.349 -1.404 3.423 388 HB3 PHE 603 2HB PHE 603 4.138 0.168 3.352 389 HD1 PHE 603 1HD PHE 603 3.703 1.700 1.564 390 HD2 PHE 603 2HD PHE 603 1.932 -2.171 1.590 391 HE1 PHE 603 1HE PHE 603 2.152 2.400 -0.213 392 HE2 PHE 603 2HE PHE 603 0.379 -1.477 -0.186 393 HZ PHE 603 HZ PHE 603 0.488 0.811 -1.091 394 HA PRO 604 HA PRO 604 4.904 -5.336 0.897 395 HB2 PRO 604 1HB PRO 604 3.444 -6.734 2.709 396 HB3 PRO 604 2HB PRO 604 5.180 -6.455 2.885 397 HG2 PRO 604 1HG PRO 604 2.892 -5.010 4.166 398 HG3 PRO 604 2HG PRO 604 4.421 -5.547 4.886 399 HD2 PRO 604 1HD PRO 604 3.990 -2.985 4.125 400 HD3 PRO 604 2HD PRO 604 5.592 -3.746 4.054 401 H SER 605 H SER 605 3.535 -5.704 -0.721 402 HA SER 605 HA SER 605 1.009 -4.466 -0.923 403 HB2 SER 605 1HB SER 605 1.068 -5.171 -3.075 404 HB3 SER 605 2HB SER 605 2.724 -5.647 -2.697 405 HG SER 605 HG SER 605 1.947 -7.511 -3.375 406 H ASP 606 H ASP 606 1.998 -7.306 0.647 407 HA ASP 606 HA ASP 606 -0.121 -9.047 0.400 408 HB2 ASP 606 1HB ASP 606 2.069 -9.243 1.782 409 HB3 ASP 606 2HB ASP 606 1.122 -8.535 3.087 410 H CYS 607 H CYS 607 0.143 -6.203 2.486 411 HA CYS 607 HA CYS 607 -2.353 -6.596 3.790 412 HB2 CYS 607 1HB CYS 607 -0.900 -5.231 4.992 413 HB3 CYS 607 2HB CYS 607 -0.419 -4.318 3.567 414 HG CYS 607 HG CYS 607 -3.637 -3.886 4.137 415 H LEU 608 H LEU 608 -1.389 -5.141 0.794 416 HA LEU 608 HA LEU 608 -3.901 -3.744 0.431 417 HB2 LEU 608 1HB LEU 608 -1.307 -3.885 -0.942 418 HB3 LEU 608 2HB LEU 608 -2.700 -3.675 -2.001 419 HG LEU 608 HG LEU 608 -1.522 -1.564 -1.305 420 HD11 LEU 608 1HD1 LEU 608 -4.322 -2.164 -1.424 421 HD12 LEU 608 2HD1 LEU 608 -3.464 -0.724 -1.965 422 HD13 LEU 608 3HD1 LEU 608 -4.036 -0.834 -0.301 423 HD21 LEU 608 1HD2 LEU 608 -2.955 -1.623 1.279 424 HD22 LEU 608 2HD2 LEU 608 -1.424 -0.863 0.844 425 HD23 LEU 608 3HD2 LEU 608 -1.488 -2.595 1.170 426 H GLU 609 H GLU 609 -5.406 -4.199 -1.234 427 HA GLU 609 HA GLU 609 -5.193 -6.696 -2.683 428 HB2 GLU 609 1HB GLU 609 -6.927 -6.352 -0.310 429 HB3 GLU 609 2HB GLU 609 -7.678 -7.108 -1.708 430 HG2 GLU 609 1HG GLU 609 -5.203 -8.041 -0.275 431 HG3 GLU 609 2HG GLU 609 -6.797 -8.792 -0.232 432 H GLU 610 H GLU 610 -6.557 -6.815 -4.461 433 HA GLU 610 HA GLU 610 -7.272 -4.471 -5.727 434 HB2 GLU 610 1HB GLU 610 -7.902 -7.337 -6.113 435 HB3 GLU 610 2HB GLU 610 -8.983 -6.199 -6.906 436 HG2 GLU 610 1HG GLU 610 -6.787 -5.114 -7.765 437 HG3 GLU 610 2HG GLU 610 -6.074 -6.674 -7.360 438 H VAL 611 H VAL 611 -9.181 -3.339 -6.034 439 HA VAL 611 HA VAL 611 -11.133 -3.638 -3.879 440 HB VAL 611 HB VAL 611 -11.971 -1.418 -4.649 441 HG11 VAL 611 1HG1 VAL 611 -10.623 -0.810 -2.985 442 HG12 VAL 611 2HG1 VAL 611 -9.420 -2.025 -3.424 443 HG13 VAL 611 3HG1 VAL 611 -9.410 -0.445 -4.210 444 HG21 VAL 611 1HG2 VAL 611 -11.171 -1.688 -7.003 445 HG22 VAL 611 2HG2 VAL 611 -10.760 -0.139 -6.268 446 HG23 VAL 611 3HG2 VAL 611 -9.532 -1.396 -6.421 447 H ALA 612 H ALA 612 -13.418 -3.488 -4.323 448 HA ALA 612 HA ALA 612 -14.208 -5.164 -6.498 449 HB1 ALA 612 1HB ALA 612 -15.898 -3.618 -4.535 450 HB2 ALA 612 2HB ALA 612 -16.474 -4.882 -5.623 451 HB3 ALA 612 3HB ALA 612 -15.333 -5.278 -4.339 452 H ASN 613 H ASN 613 -16.416 -4.352 -7.614 453 HA ASN 613 HA ASN 613 -15.789 -1.746 -8.839 454 HB2 ASN 613 1HB ASN 613 -16.390 -2.547 -10.952 455 HB3 ASN 613 2HB ASN 613 -15.519 -3.905 -10.245 456 HD21 ASN 613 1HD2 ASN 613 -19.472 -4.168 -11.113 457 HD22 ASN 613 2HD2 ASN 613 -18.623 -2.664 -11.187 Start of MODEL 21 1 H1 MET 553 H MET 553 7.362 0.721 -12.748 2 HA MET 553 HA MET 553 6.618 3.407 -13.513 3 HB2 MET 553 1HB MET 553 5.404 2.772 -15.518 4 HB3 MET 553 2HB MET 553 7.100 2.344 -15.687 5 HG2 MET 553 1HG MET 553 6.672 0.062 -15.442 6 HG3 MET 553 2HG MET 553 5.070 0.346 -14.765 7 HE1 MET 553 1HE MET 553 7.045 -0.799 -17.233 8 HE2 MET 553 2HE MET 553 5.710 -1.553 -18.104 9 HE3 MET 553 3HE MET 553 6.582 -0.200 -18.827 10 H VAL 554 H VAL 554 4.315 3.780 -13.370 11 HA VAL 554 HA VAL 554 2.945 1.757 -11.718 12 HB VAL 554 HB VAL 554 3.481 3.723 -10.393 13 HG11 VAL 554 1HG1 VAL 554 1.794 5.346 -12.286 14 HG12 VAL 554 2HG1 VAL 554 2.768 5.922 -10.932 15 HG13 VAL 554 3HG1 VAL 554 3.554 5.279 -12.373 16 HG21 VAL 554 1HG2 VAL 554 1.172 4.353 -9.699 17 HG22 VAL 554 2HG2 VAL 554 0.561 3.476 -11.102 18 HG23 VAL 554 3HG2 VAL 554 1.431 2.613 -9.833 19 HA PRO 555 HA PRO 555 -0.083 1.649 -14.940 20 HB2 PRO 555 1HB PRO 555 -2.001 0.301 -13.570 21 HB3 PRO 555 2HB PRO 555 -0.548 -0.478 -14.209 22 HG2 PRO 555 1HG PRO 555 -1.127 0.463 -11.427 23 HG3 PRO 555 2HG PRO 555 -0.358 -1.041 -11.961 24 HD2 PRO 555 1HD PRO 555 1.063 1.075 -11.048 25 HD3 PRO 555 2HD PRO 555 1.687 -0.029 -12.290 26 H GLY 556 H GLY 556 -1.177 2.474 -11.645 27 HA2 GLY 556 1HA GLY 556 -2.176 4.613 -11.179 28 HA3 GLY 556 2HA GLY 556 -2.783 4.641 -12.829 29 H ARG 557 H ARG 557 -2.953 2.075 -10.380 30 HA ARG 557 HA ARG 557 -5.891 2.251 -10.549 31 HB2 ARG 557 1HB ARG 557 -5.025 0.218 -11.618 32 HB3 ARG 557 2HB ARG 557 -4.187 -0.211 -10.131 33 HG2 ARG 557 1HG ARG 557 -6.511 -0.162 -9.044 34 HG3 ARG 557 2HG ARG 557 -7.126 -0.209 -10.697 35 HD2 ARG 557 1HD ARG 557 -5.108 -2.175 -10.502 36 HD3 ARG 557 2HD ARG 557 -6.139 -2.347 -9.081 37 HE ARG 557 HE ARG 557 -7.827 -3.094 -10.437 38 HH11 ARG 557 1HH1 ARG 557 -6.070 -2.096 -13.892 39 HH12 ARG 557 2HH1 ARG 557 -5.368 -1.594 -12.390 40 HH21 ARG 557 1HH2 ARG 557 -8.000 -3.330 -13.901 41 HH22 ARG 557 2HH2 ARG 557 -8.761 -3.764 -12.407 42 H SER 558 H SER 558 -7.066 2.155 -8.676 43 HA SER 558 HA SER 558 -5.605 2.702 -6.235 44 HB2 SER 558 1HB SER 558 -7.999 2.950 -5.317 45 HB3 SER 558 2HB SER 558 -7.468 4.118 -6.525 46 HG SER 558 HG SER 558 -9.016 3.449 -7.760 47 H PHE 559 H PHE 559 -5.654 1.488 -4.363 48 HA PHE 559 HA PHE 559 -6.885 -1.178 -4.548 49 HB2 PHE 559 1HB PHE 559 -4.053 -0.471 -3.843 50 HB3 PHE 559 2HB PHE 559 -4.795 -1.927 -3.187 51 HD1 PHE 559 1HD PHE 559 -4.452 -3.876 -4.336 52 HD2 PHE 559 2HD PHE 559 -4.438 -0.198 -6.477 53 HE1 PHE 559 1HE PHE 559 -3.905 -5.088 -6.405 54 HE2 PHE 559 2HE PHE 559 -3.892 -1.403 -8.550 55 HZ PHE 559 HZ PHE 559 -3.626 -3.851 -8.517 56 H MET 560 H MET 560 -7.079 -2.250 -2.397 57 HA MET 560 HA MET 560 -7.573 -0.250 -0.289 58 HB2 MET 560 1HB MET 560 -9.602 -1.365 -1.353 59 HB3 MET 560 2HB MET 560 -9.061 -2.855 -0.592 60 HG2 MET 560 1HG MET 560 -9.080 -1.477 1.588 61 HG3 MET 560 2HG MET 560 -10.089 -0.355 0.679 62 HE1 MET 560 1HE MET 560 -11.102 -3.167 3.353 63 HE2 MET 560 2HE MET 560 -10.784 -4.471 2.209 64 HE3 MET 560 3HE MET 560 -9.534 -3.273 2.550 65 H ALA 561 H ALA 561 -7.131 -0.837 1.860 66 HA ALA 561 HA ALA 561 -5.132 -2.964 2.105 67 HB1 ALA 561 1HB ALA 561 -4.034 -1.600 3.476 68 HB2 ALA 561 2HB ALA 561 -5.193 -0.345 3.035 69 HB3 ALA 561 3HB ALA 561 -5.468 -1.336 4.468 70 H VAL 562 H VAL 562 -5.791 -4.860 2.852 71 HA VAL 562 HA VAL 562 -8.288 -5.137 4.270 72 HB VAL 562 HB VAL 562 -7.655 -7.575 4.342 73 HG11 VAL 562 1HG1 VAL 562 -7.465 -7.327 1.552 74 HG12 VAL 562 2HG1 VAL 562 -8.922 -7.565 2.517 75 HG13 VAL 562 3HG1 VAL 562 -8.391 -5.933 2.107 76 HG21 VAL 562 1HG2 VAL 562 -5.155 -6.959 4.149 77 HG22 VAL 562 2HG2 VAL 562 -5.743 -8.386 3.298 78 HG23 VAL 562 3HG2 VAL 562 -5.467 -6.885 2.415 79 H LYS 563 H LYS 563 -5.123 -4.471 5.161 80 HA LYS 563 HA LYS 563 -5.746 -4.793 7.954 81 HB2 LYS 563 1HB LYS 563 -3.541 -6.105 8.296 82 HB3 LYS 563 2HB LYS 563 -4.972 -6.984 7.775 83 HG2 LYS 563 1HG LYS 563 -4.100 -7.480 5.756 84 HG3 LYS 563 2HG LYS 563 -3.242 -5.943 5.627 85 HD2 LYS 563 1HD LYS 563 -1.621 -7.702 5.810 86 HD3 LYS 563 2HD LYS 563 -1.617 -6.784 7.318 87 HE2 LYS 563 1HE LYS 563 -1.528 -9.124 7.844 88 HE3 LYS 563 2HE LYS 563 -3.115 -8.506 8.301 89 HZ1 LYS 563 1HZ LYS 563 -3.057 -9.498 5.618 90 HZ2 LYS 563 2HZ LYS 563 -4.111 -9.879 6.884 91 HZ3 LYS 563 3HZ LYS 563 -2.632 -10.687 6.743 92 H SER 564 H SER 564 -4.305 -3.667 9.327 93 HA SER 564 HA SER 564 -2.998 -1.453 8.037 94 HB2 SER 564 1HB SER 564 -2.540 -0.700 10.371 95 HB3 SER 564 2HB SER 564 -4.245 -1.038 10.074 96 HG SER 564 HG SER 564 -3.990 -2.198 11.829 97 H TYR 565 H TYR 565 -0.788 -0.760 8.892 98 HA TYR 565 HA TYR 565 1.011 -2.971 9.475 99 HB2 TYR 565 1HB TYR 565 0.910 -2.958 7.026 100 HB3 TYR 565 2HB TYR 565 1.334 -1.250 7.009 101 HD1 TYR 565 1HD TYR 565 2.608 -4.595 8.012 102 HD2 TYR 565 2HD TYR 565 3.579 -0.584 6.976 103 HE1 TYR 565 1HE TYR 565 4.992 -5.195 7.948 104 HE2 TYR 565 2HE TYR 565 5.966 -1.173 6.907 105 HH TYR 565 HH TYR 565 7.055 -4.455 7.074 106 H GLN 566 H GLN 566 2.965 -2.336 10.394 107 HA GLN 566 HA GLN 566 3.091 0.505 11.156 108 HB2 GLN 566 1HB GLN 566 2.815 -1.474 12.883 109 HB3 GLN 566 2HB GLN 566 4.555 -1.613 12.672 110 HG2 GLN 566 1HG GLN 566 4.888 0.636 13.421 111 HG3 GLN 566 2HG GLN 566 3.150 0.926 13.461 112 HE21 GLN 566 1HE2 GLN 566 2.851 -0.093 16.732 113 HE22 GLN 566 2HE2 GLN 566 2.275 0.832 15.391 114 H ALA 567 H ALA 567 4.551 1.562 9.990 115 HA ALA 567 HA ALA 567 6.568 0.516 8.435 116 HB1 ALA 567 1HB ALA 567 7.446 2.712 8.253 117 HB2 ALA 567 2HB ALA 567 5.699 2.877 8.424 118 HB3 ALA 567 3HB ALA 567 6.752 3.190 9.803 119 H GLN 568 H GLN 568 8.540 -0.297 8.784 120 HA GLN 568 HA GLN 568 9.673 -0.049 11.492 121 HB2 GLN 568 1HB GLN 568 10.178 -2.352 9.615 122 HB3 GLN 568 2HB GLN 568 10.539 -2.256 11.334 123 HG2 GLN 568 1HG GLN 568 7.943 -1.961 11.540 124 HG3 GLN 568 2HG GLN 568 7.947 -2.747 9.963 125 HE21 GLN 568 1HE2 GLN 568 7.682 -5.243 12.739 126 HE22 GLN 568 2HE2 GLN 568 6.830 -3.791 12.356 127 H ALA 569 H ALA 569 10.242 0.110 8.066 128 HA ALA 569 HA ALA 569 13.107 0.450 8.374 129 HB1 ALA 569 1HB ALA 569 11.659 0.970 5.814 130 HB2 ALA 569 2HB ALA 569 13.266 0.292 6.080 131 HB3 ALA 569 3HB ALA 569 11.833 -0.683 6.403 132 H GLU 570 H GLU 570 13.746 2.373 6.567 133 HA GLU 570 HA GLU 570 12.991 4.785 8.003 134 HB2 GLU 570 1HB GLU 570 14.933 5.725 7.228 135 HB3 GLU 570 2HB GLU 570 15.384 4.027 7.172 136 HG2 GLU 570 1HG GLU 570 14.708 4.012 4.767 137 HG3 GLU 570 2HG GLU 570 14.504 5.760 4.878 138 H GLY 571 H GLY 571 12.556 3.302 4.865 139 HA2 GLY 571 1HA GLY 571 11.134 5.703 3.922 140 HA3 GLY 571 2HA GLY 571 11.762 4.426 2.892 141 H GLU 572 H GLU 572 10.407 2.944 5.505 142 HA GLU 572 HA GLU 572 8.095 2.143 3.966 143 HB2 GLU 572 1HB GLU 572 9.538 1.164 6.337 144 HB3 GLU 572 2HB GLU 572 7.796 0.929 6.397 145 HG2 GLU 572 1HG GLU 572 8.629 -1.031 5.455 146 HG3 GLU 572 2HG GLU 572 8.015 -0.107 4.087 147 H ILE 573 H ILE 573 5.924 2.275 4.697 148 HA ILE 573 HA ILE 573 5.435 4.392 6.688 149 HB ILE 573 HB ILE 573 3.414 5.016 5.337 150 HG12 ILE 573 1HG1 ILE 573 4.623 3.873 2.894 151 HG13 ILE 573 2HG1 ILE 573 3.869 2.710 3.977 152 HG21 ILE 573 1HG2 ILE 573 5.271 6.473 5.247 153 HG22 ILE 573 2HG2 ILE 573 6.174 5.379 4.199 154 HG23 ILE 573 3HG2 ILE 573 4.761 6.232 3.575 155 HD11 ILE 573 1HD1 ILE 573 2.145 4.966 3.637 156 HD12 ILE 573 2HD1 ILE 573 2.631 4.331 2.064 157 HD13 ILE 573 3HD1 ILE 573 1.863 3.270 3.245 158 H SER 574 H SER 574 3.102 4.359 7.462 159 HA SER 574 HA SER 574 2.488 1.638 8.275 160 HB2 SER 574 1HB SER 574 1.344 2.553 10.060 161 HB3 SER 574 2HB SER 574 2.496 3.850 9.734 162 HG SER 574 HG SER 574 0.508 4.796 9.868 163 H LEU 575 H LEU 575 0.006 1.210 8.512 164 HA LEU 575 HA LEU 575 -1.435 2.116 6.126 165 HB2 LEU 575 1HB LEU 575 -0.526 -0.615 6.735 166 HB3 LEU 575 2HB LEU 575 -2.207 -0.477 6.225 167 HG LEU 575 HG LEU 575 -1.148 0.913 4.255 168 HD11 LEU 575 1HD1 LEU 575 1.113 -0.947 4.960 169 HD12 LEU 575 2HD1 LEU 575 1.133 0.793 5.249 170 HD13 LEU 575 3HD1 LEU 575 1.028 0.174 3.601 171 HD21 LEU 575 1HD2 LEU 575 -2.192 -0.842 3.352 172 HD22 LEU 575 2HD2 LEU 575 -1.727 -1.913 4.674 173 HD23 LEU 575 3HD2 LEU 575 -0.608 -1.619 3.342 174 H SER 576 H SER 576 -3.771 1.246 6.208 175 HA SER 576 HA SER 576 -4.772 0.955 8.934 176 HB2 SER 576 1HB SER 576 -5.223 3.321 7.178 177 HB3 SER 576 2HB SER 576 -6.583 2.745 8.142 178 HG SER 576 HG SER 576 -5.648 3.966 9.599 179 H LYS 577 H LYS 577 -6.218 -0.623 8.968 180 HA LYS 577 HA LYS 577 -7.103 -2.024 6.747 181 HB2 LYS 577 1HB LYS 577 -7.191 -2.543 9.338 182 HB3 LYS 577 2HB LYS 577 -8.829 -1.925 9.183 183 HG2 LYS 577 1HG LYS 577 -7.845 -4.044 7.323 184 HG3 LYS 577 2HG LYS 577 -8.393 -4.462 8.947 185 HD2 LYS 577 1HD LYS 577 -10.418 -2.867 8.148 186 HD3 LYS 577 2HD LYS 577 -9.929 -3.555 6.599 187 HE2 LYS 577 1HE LYS 577 -10.551 -5.670 7.187 188 HE3 LYS 577 2HE LYS 577 -10.220 -5.408 8.899 189 HZ1 LYS 577 1HZ LYS 577 -12.257 -4.420 9.233 190 HZ2 LYS 577 2HZ LYS 577 -12.647 -5.610 8.096 191 HZ3 LYS 577 3HZ LYS 577 -12.460 -4.001 7.606 192 H GLY 578 H GLY 578 -8.614 -1.681 5.250 193 HA2 GLY 578 1HA GLY 578 -10.694 -1.007 4.405 194 HA3 GLY 578 2HA GLY 578 -10.961 -0.073 5.868 195 H GLU 579 H GLU 579 -7.974 0.806 5.113 196 HA GLU 579 HA GLU 579 -8.846 3.272 3.896 197 HB2 GLU 579 1HB GLU 579 -6.948 2.791 5.704 198 HB3 GLU 579 2HB GLU 579 -5.956 2.658 4.258 199 HG2 GLU 579 1HG GLU 579 -5.919 4.909 5.239 200 HG3 GLU 579 2HG GLU 579 -6.539 4.892 3.589 201 H LYS 580 H LYS 580 -8.407 4.003 1.863 202 HA LYS 580 HA LYS 580 -7.722 1.990 -0.104 203 HB2 LYS 580 1HB LYS 580 -9.586 3.778 -0.280 204 HB3 LYS 580 2HB LYS 580 -8.283 4.881 -0.709 205 HG2 LYS 580 1HG LYS 580 -9.202 4.115 -2.737 206 HG3 LYS 580 2HG LYS 580 -7.670 3.259 -2.538 207 HD2 LYS 580 1HD LYS 580 -9.320 1.686 -3.283 208 HD3 LYS 580 2HD LYS 580 -8.944 1.336 -1.594 209 HE2 LYS 580 1HE LYS 580 -10.987 2.077 -0.845 210 HE3 LYS 580 2HE LYS 580 -11.213 3.167 -2.214 211 HZ1 LYS 580 1HZ LYS 580 -12.649 1.546 -2.813 212 HZ2 LYS 580 2HZ LYS 580 -11.824 0.326 -1.980 213 HZ3 LYS 580 3HZ LYS 580 -11.255 0.858 -3.481 214 H ILE 581 H ILE 581 -5.656 1.598 -0.532 215 HA ILE 581 HA ILE 581 -3.703 3.773 -0.319 216 HB ILE 581 HB ILE 581 -2.912 0.945 -0.869 217 HG12 ILE 581 1HG1 ILE 581 -4.514 0.704 0.936 218 HG13 ILE 581 2HG1 ILE 581 -2.887 0.512 1.579 219 HG21 ILE 581 1HG2 ILE 581 -1.715 3.342 0.463 220 HG22 ILE 581 2HG2 ILE 581 -1.085 1.727 0.781 221 HG23 ILE 581 3HG2 ILE 581 -1.078 2.367 -0.862 222 HD11 ILE 581 1HD1 ILE 581 -3.470 3.229 1.828 223 HD12 ILE 581 2HD1 ILE 581 -4.933 2.376 2.320 224 HD13 ILE 581 3HD1 ILE 581 -3.397 2.021 3.110 225 H LYS 582 H LYS 582 -2.560 4.522 -2.026 226 HA LYS 582 HA LYS 582 -3.192 3.368 -4.662 227 HB2 LYS 582 1HB LYS 582 -4.073 5.604 -4.470 228 HB3 LYS 582 2HB LYS 582 -2.531 6.210 -3.879 229 HG2 LYS 582 1HG LYS 582 -2.921 6.817 -6.212 230 HG3 LYS 582 2HG LYS 582 -1.504 5.778 -6.032 231 HD2 LYS 582 1HD LYS 582 -2.570 3.946 -6.979 232 HD3 LYS 582 2HD LYS 582 -4.182 4.586 -6.645 233 HE2 LYS 582 1HE LYS 582 -2.278 5.880 -8.583 234 HE3 LYS 582 2HE LYS 582 -3.424 4.631 -9.065 235 HZ1 LYS 582 1HZ LYS 582 -4.926 6.224 -9.287 236 HZ2 LYS 582 2HZ LYS 582 -3.878 7.393 -8.655 237 HZ3 LYS 582 3HZ LYS 582 -4.867 6.494 -7.618 238 H VAL 583 H VAL 583 -1.552 2.138 -5.322 239 HA VAL 583 HA VAL 583 1.131 2.465 -4.449 240 HB VAL 583 HB VAL 583 0.274 0.279 -5.126 241 HG11 VAL 583 1HG1 VAL 583 0.314 1.254 -7.972 242 HG12 VAL 583 2HG1 VAL 583 -0.300 -0.281 -7.351 243 HG13 VAL 583 3HG1 VAL 583 -1.151 1.222 -6.991 244 HG21 VAL 583 1HG2 VAL 583 2.600 1.405 -6.650 245 HG22 VAL 583 2HG2 VAL 583 2.610 0.389 -5.207 246 HG23 VAL 583 3HG2 VAL 583 2.155 -0.297 -6.768 247 H LEU 584 H LEU 584 2.614 3.841 -5.156 248 HA LEU 584 HA LEU 584 2.200 5.149 -7.754 249 HB2 LEU 584 1HB LEU 584 3.953 6.019 -5.463 250 HB3 LEU 584 2HB LEU 584 3.613 6.933 -6.932 251 HG LEU 584 HG LEU 584 1.546 6.214 -4.857 252 HD11 LEU 584 1HD1 LEU 584 3.546 7.916 -4.375 253 HD12 LEU 584 2HD1 LEU 584 1.905 8.169 -3.779 254 HD13 LEU 584 3HD1 LEU 584 2.454 9.002 -5.234 255 HD21 LEU 584 1HD2 LEU 584 0.301 6.608 -6.730 256 HD22 LEU 584 2HD2 LEU 584 1.512 7.669 -7.449 257 HD23 LEU 584 3HD2 LEU 584 0.483 8.260 -6.143 258 H SER 585 H SER 585 4.301 3.070 -5.987 259 HA SER 585 HA SER 585 6.017 2.826 -8.340 260 HB2 SER 585 1HB SER 585 7.664 3.980 -7.323 261 HB3 SER 585 2HB SER 585 6.839 3.939 -5.765 262 HG SER 585 HG SER 585 8.966 2.718 -6.169 263 H ILE 586 H ILE 586 7.410 0.872 -8.226 264 HA ILE 586 HA ILE 586 6.435 -1.201 -6.408 265 HB ILE 586 HB ILE 586 6.311 -2.802 -8.370 266 HG12 ILE 586 1HG1 ILE 586 5.976 -0.267 -9.977 267 HG13 ILE 586 2HG1 ILE 586 7.474 -1.190 -9.938 268 HG21 ILE 586 1HG2 ILE 586 4.028 -2.394 -8.701 269 HG22 ILE 586 2HG2 ILE 586 4.375 -1.705 -7.115 270 HG23 ILE 586 3HG2 ILE 586 4.223 -0.651 -8.522 271 HD11 ILE 586 1HD1 ILE 586 6.712 -2.510 -11.532 272 HD12 ILE 586 2HD1 ILE 586 5.336 -2.964 -10.526 273 HD13 ILE 586 3HD1 ILE 586 5.225 -1.565 -11.591 274 H GLY 587 H GLY 587 7.788 -3.146 -6.422 275 HA2 GLY 587 1HA GLY 587 10.471 -2.734 -7.552 276 HA3 GLY 587 2HA GLY 587 10.309 -3.018 -5.825 277 H GLU 588 H GLU 588 10.657 -5.040 -5.224 278 HA GLU 588 HA GLU 588 10.049 -7.192 -7.145 279 HB2 GLU 588 1HB GLU 588 11.868 -8.482 -6.106 280 HB3 GLU 588 2HB GLU 588 12.448 -6.975 -6.800 281 HG2 GLU 588 1HG GLU 588 11.712 -7.033 -3.920 282 HG3 GLU 588 2HG GLU 588 13.228 -7.773 -4.430 283 H GLY 589 H GLY 589 9.658 -9.342 -6.070 284 HA2 GLY 589 1HA GLY 589 8.265 -10.605 -4.749 285 HA3 GLY 589 2HA GLY 589 8.966 -9.697 -3.418 286 H GLY 590 H GLY 590 7.013 -9.696 -2.266 287 HA2 GLY 590 1HA GLY 590 4.700 -8.409 -3.498 288 HA3 GLY 590 2HA GLY 590 4.738 -9.198 -1.929 289 H PHE 591 H PHE 591 6.896 -6.682 -3.173 290 HA PHE 591 HA PHE 591 5.852 -4.875 -1.094 291 HB2 PHE 591 1HB PHE 591 8.431 -5.990 -1.231 292 HB3 PHE 591 2HB PHE 591 8.609 -4.314 -1.738 293 HD1 PHE 591 1HD PHE 591 8.354 -2.522 -0.196 294 HD2 PHE 591 2HD PHE 591 7.549 -6.526 1.001 295 HE1 PHE 591 1HE PHE 591 8.304 -1.804 2.157 296 HE2 PHE 591 2HE PHE 591 7.496 -5.814 3.357 297 HZ PHE 591 HZ PHE 591 7.873 -3.451 3.937 298 H TRP 592 H TRP 592 5.646 -2.726 -1.618 299 HA TRP 592 HA TRP 592 6.702 -1.629 -4.043 300 HB2 TRP 592 1HB TRP 592 4.509 -1.150 -5.096 301 HB3 TRP 592 2HB TRP 592 4.861 -2.874 -5.021 302 HD1 TRP 592 HD TRP 592 3.872 -2.090 -1.650 303 HE1 TRP 592 1HE TRP 592 1.372 -2.557 -1.246 304 HE3 TRP 592 3HE TRP 592 2.321 -2.474 -6.506 305 HZ2 TRP 592 2HZ TRP 592 -0.948 -3.029 -2.781 306 HZ3 TRP 592 3HZ TRP 592 -0.055 -2.935 -6.953 307 HH2 TRP 592 HH TRP 592 -1.654 -3.207 -5.127 308 H GLU 593 H GLU 593 5.759 0.634 -4.417 309 HA GLU 593 HA GLU 593 5.478 1.912 -1.790 310 HB2 GLU 593 1HB GLU 593 6.998 2.526 -4.135 311 HB3 GLU 593 2HB GLU 593 5.874 3.843 -3.831 312 HG2 GLU 593 1HG GLU 593 7.205 2.949 -1.414 313 HG3 GLU 593 2HG GLU 593 8.338 3.486 -2.654 314 H GLY 594 H GLY 594 3.823 3.320 -1.326 315 HA2 GLY 594 1HA GLY 594 1.895 4.042 -3.368 316 HA3 GLY 594 2HA GLY 594 1.298 2.914 -2.159 317 H GLN 595 H GLN 595 -0.214 4.846 -1.946 318 HA GLN 595 HA GLN 595 0.844 6.589 0.172 319 HB2 GLN 595 1HB GLN 595 0.747 8.040 -1.692 320 HB3 GLN 595 2HB GLN 595 -0.794 7.382 -2.227 321 HG2 GLN 595 1HG GLN 595 -1.989 8.509 -0.585 322 HG3 GLN 595 2HG GLN 595 -0.553 8.792 0.400 323 HE21 GLN 595 1HE2 GLN 595 -0.805 11.033 -3.014 324 HE22 GLN 595 2HE2 GLN 595 -1.118 9.335 -3.049 325 H VAL 596 H VAL 596 -0.433 6.816 1.926 326 HA VAL 596 HA VAL 596 -3.194 5.813 1.777 327 HB VAL 596 HB VAL 596 -1.893 4.024 2.758 328 HG11 VAL 596 1HG1 VAL 596 -0.415 6.146 3.910 329 HG12 VAL 596 2HG1 VAL 596 -1.066 5.168 5.228 330 HG13 VAL 596 3HG1 VAL 596 -0.080 4.415 3.975 331 HG21 VAL 596 1HG2 VAL 596 -4.142 5.102 3.836 332 HG22 VAL 596 2HG2 VAL 596 -3.420 3.577 4.347 333 HG23 VAL 596 3HG2 VAL 596 -3.073 5.057 5.238 334 H LYS 597 H LYS 597 -4.490 7.445 2.276 335 HA LYS 597 HA LYS 597 -5.153 9.502 3.076 336 HB2 LYS 597 1HB LYS 597 -5.207 9.467 5.627 337 HB3 LYS 597 2HB LYS 597 -6.031 8.155 4.798 338 HG2 LYS 597 1HG LYS 597 -4.904 7.048 6.472 339 HG3 LYS 597 2HG LYS 597 -3.792 6.886 5.109 340 HD2 LYS 597 1HD LYS 597 -2.567 7.503 7.106 341 HD3 LYS 597 2HD LYS 597 -2.529 8.834 5.945 342 HE2 LYS 597 1HE LYS 597 -3.227 10.140 7.611 343 HE3 LYS 597 2HE LYS 597 -4.790 9.340 7.450 344 HZ1 LYS 597 1HZ LYS 597 -2.897 7.870 9.041 345 HZ2 LYS 597 2HZ LYS 597 -4.512 8.258 9.364 346 HZ3 LYS 597 3HZ LYS 597 -3.290 9.381 9.692 347 H GLY 598 H GLY 598 -2.430 9.560 2.207 348 HA2 GLY 598 1HA GLY 598 -1.201 11.681 2.336 349 HA3 GLY 598 2HA GLY 598 -1.368 11.582 4.083 350 H ARG 599 H ARG 599 -0.611 9.085 4.707 351 HA ARG 599 HA ARG 599 2.174 9.196 4.649 352 HB2 ARG 599 1HB ARG 599 0.145 7.205 5.475 353 HB3 ARG 599 2HB ARG 599 1.757 6.577 5.158 354 HG2 ARG 599 1HG ARG 599 2.362 8.707 6.696 355 HG3 ARG 599 2HG ARG 599 0.783 8.269 7.352 356 HD2 ARG 599 1HD ARG 599 1.505 6.122 7.953 357 HD3 ARG 599 2HD ARG 599 2.927 6.216 6.915 358 HE ARG 599 HE ARG 599 2.726 7.096 9.611 359 HH11 ARG 599 1HH1 ARG 599 5.602 8.607 7.270 360 HH12 ARG 599 2HH1 ARG 599 4.234 7.817 6.557 361 HH21 ARG 599 1HH2 ARG 599 5.764 8.785 9.548 362 HH22 ARG 599 2HH2 ARG 599 4.521 8.134 10.561 363 H VAL 600 H VAL 600 3.297 9.169 2.798 364 HA VAL 600 HA VAL 600 2.685 7.055 0.836 365 HB VAL 600 HB VAL 600 4.172 9.619 0.272 366 HG11 VAL 600 1HG1 VAL 600 3.954 9.059 -2.012 367 HG12 VAL 600 2HG1 VAL 600 4.499 7.586 -1.205 368 HG13 VAL 600 3HG1 VAL 600 2.806 7.765 -1.663 369 HG21 VAL 600 1HG2 VAL 600 1.674 9.668 -1.000 370 HG22 VAL 600 2HG2 VAL 600 1.357 9.206 0.673 371 HG23 VAL 600 3HG2 VAL 600 2.228 10.698 0.320 372 H GLY 601 H GLY 601 4.107 5.451 0.784 373 HA2 GLY 601 1HA GLY 601 6.907 5.867 0.612 374 HA3 GLY 601 2HA GLY 601 6.476 5.336 2.230 375 H TRP 602 H TRP 602 7.612 3.392 1.993 376 HA TRP 602 HA TRP 602 6.617 1.532 -0.045 377 HB2 TRP 602 1HB TRP 602 9.016 1.303 1.788 378 HB3 TRP 602 2HB TRP 602 8.577 0.158 0.524 379 HD1 TRP 602 HD TRP 602 9.222 3.998 0.624 380 HE1 TRP 602 1HE TRP 602 10.662 4.602 -1.424 381 HE3 TRP 602 3HE TRP 602 9.657 -0.649 -1.463 382 HZ2 TRP 602 2HZ TRP 602 11.826 3.283 -3.629 383 HZ3 TRP 602 3HZ TRP 602 10.949 -0.892 -3.542 384 HH2 TRP 602 HH TRP 602 12.010 1.034 -4.603 385 H PHE 603 H PHE 603 5.966 -0.594 0.520 386 HA PHE 603 HA PHE 603 5.752 -1.549 3.153 387 HB2 PHE 603 1HB PHE 603 3.356 -1.289 3.556 388 HB3 PHE 603 2HB PHE 603 4.127 0.285 3.398 389 HD1 PHE 603 1HD PHE 603 3.646 1.725 1.533 390 HD2 PHE 603 2HD PHE 603 1.854 -2.123 1.842 391 HE1 PHE 603 1HE PHE 603 2.028 2.341 -0.216 392 HE2 PHE 603 2HE PHE 603 0.234 -1.515 0.093 393 HZ PHE 603 HZ PHE 603 0.320 0.720 -0.939 394 HA PRO 604 HA PRO 604 4.849 -5.256 0.986 395 HB2 PRO 604 1HB PRO 604 3.457 -6.656 2.849 396 HB3 PRO 604 2HB PRO 604 5.198 -6.368 2.965 397 HG2 PRO 604 1HG PRO 604 2.944 -4.934 4.319 398 HG3 PRO 604 2HG PRO 604 4.499 -5.461 4.990 399 HD2 PRO 604 1HD PRO 604 4.028 -2.902 4.238 400 HD3 PRO 604 2HD PRO 604 5.632 -3.654 4.115 401 H SER 605 H SER 605 3.413 -5.731 -0.551 402 HA SER 605 HA SER 605 0.858 -4.488 -0.649 403 HB2 SER 605 1HB SER 605 0.828 -5.157 -2.820 404 HB3 SER 605 2HB SER 605 2.529 -5.525 -2.528 405 HG SER 605 HG SER 605 1.529 -7.323 -3.422 406 H ASP 606 H ASP 606 1.951 -7.235 0.935 407 HA ASP 606 HA ASP 606 -0.149 -9.051 0.665 408 HB2 ASP 606 1HB ASP 606 2.078 -9.400 1.844 409 HB3 ASP 606 2HB ASP 606 1.370 -8.578 3.230 410 H CYS 607 H CYS 607 0.038 -6.053 2.390 411 HA CYS 607 HA CYS 607 -2.370 -6.605 3.929 412 HB2 CYS 607 1HB CYS 607 -0.859 -3.997 3.798 413 HB3 CYS 607 2HB CYS 607 -1.958 -4.548 5.057 414 HG CYS 607 HG CYS 607 0.692 -6.543 4.605 415 H LEU 608 H LEU 608 -1.677 -5.609 0.854 416 HA LEU 608 HA LEU 608 -4.033 -3.861 0.677 417 HB2 LEU 608 1HB LEU 608 -1.471 -4.009 -0.739 418 HB3 LEU 608 2HB LEU 608 -2.867 -3.773 -1.788 419 HG LEU 608 HG LEU 608 -1.667 -1.683 -1.067 420 HD11 LEU 608 1HD1 LEU 608 -4.446 -2.248 -1.264 421 HD12 LEU 608 2HD1 LEU 608 -3.590 -0.756 -1.655 422 HD13 LEU 608 3HD1 LEU 608 -4.212 -1.015 -0.025 423 HD21 LEU 608 1HD2 LEU 608 -1.597 -0.987 1.094 424 HD22 LEU 608 2HD2 LEU 608 -1.594 -2.726 1.383 425 HD23 LEU 608 3HD2 LEU 608 -3.095 -1.810 1.528 426 H GLU 609 H GLU 609 -5.115 -4.072 -1.601 427 HA GLU 609 HA GLU 609 -5.183 -6.699 -2.737 428 HB2 GLU 609 1HB GLU 609 -7.674 -6.980 -2.183 429 HB3 GLU 609 2HB GLU 609 -6.509 -7.357 -0.922 430 HG2 GLU 609 1HG GLU 609 -7.115 -5.588 0.369 431 HG3 GLU 609 2HG GLU 609 -7.588 -4.600 -1.012 432 H GLU 610 H GLU 610 -6.338 -6.785 -4.674 433 HA GLU 610 HA GLU 610 -6.587 -4.343 -6.065 434 HB2 GLU 610 1HB GLU 610 -7.761 -7.015 -6.846 435 HB3 GLU 610 2HB GLU 610 -7.407 -5.667 -7.916 436 HG2 GLU 610 1HG GLU 610 -5.096 -5.982 -7.737 437 HG3 GLU 610 2HG GLU 610 -5.260 -7.011 -6.316 438 H VAL 611 H VAL 611 -8.338 -3.126 -6.640 439 HA VAL 611 HA VAL 611 -10.750 -3.536 -5.055 440 HB VAL 611 HB VAL 611 -11.379 -1.281 -5.718 441 HG11 VAL 611 1HG1 VAL 611 -8.921 -0.274 -5.032 442 HG12 VAL 611 2HG1 VAL 611 -10.150 -0.842 -3.900 443 HG13 VAL 611 3HG1 VAL 611 -8.852 -1.922 -4.410 444 HG21 VAL 611 1HG2 VAL 611 -9.016 -1.529 -7.550 445 HG22 VAL 611 2HG2 VAL 611 -10.670 -1.051 -7.934 446 HG23 VAL 611 3HG2 VAL 611 -9.621 0.045 -7.034 447 H ALA 612 H ALA 612 -12.782 -2.569 -6.373 448 HA ALA 612 HA ALA 612 -12.917 -3.461 -9.107 449 HB1 ALA 612 1HB ALA 612 -13.437 -5.361 -7.130 450 HB2 ALA 612 2HB ALA 612 -15.020 -4.862 -7.729 451 HB3 ALA 612 3HB ALA 612 -13.808 -5.479 -8.850 452 H ASN 613 H ASN 613 -15.068 -3.080 -10.060 453 HA ASN 613 HA ASN 613 -16.565 -1.020 -8.578 454 HB2 ASN 613 1HB ASN 613 -16.979 0.120 -10.705 455 HB3 ASN 613 2HB ASN 613 -15.250 -0.032 -10.410 456 HD21 ASN 613 1HD2 ASN 613 -17.007 -1.836 -13.583 457 HD22 ASN 613 2HD2 ASN 613 -17.929 -1.046 -12.353 Start of MODEL 22 1 H1 MET 553 H MET 553 5.597 -1.815 -14.598 2 HA MET 553 HA MET 553 7.285 -0.910 -12.716 3 HB2 MET 553 1HB MET 553 7.682 -0.608 -15.108 4 HB3 MET 553 2HB MET 553 6.442 0.637 -15.173 5 HG2 MET 553 1HG MET 553 7.764 2.054 -13.706 6 HG3 MET 553 2HG MET 553 8.998 0.800 -13.594 7 HE1 MET 553 1HE MET 553 11.178 2.013 -14.656 8 HE2 MET 553 2HE MET 553 10.759 0.362 -15.111 9 HE3 MET 553 3HE MET 553 11.303 1.505 -16.340 10 H VAL 554 H VAL 554 4.272 0.673 -13.654 11 HA VAL 554 HA VAL 554 3.913 1.863 -11.118 12 HB VAL 554 HB VAL 554 5.636 3.414 -11.742 13 HG11 VAL 554 1HG1 VAL 554 4.530 4.782 -13.963 14 HG12 VAL 554 2HG1 VAL 554 6.053 3.897 -13.867 15 HG13 VAL 554 3HG1 VAL 554 4.578 3.063 -14.356 16 HG21 VAL 554 1HG2 VAL 554 4.536 5.282 -11.100 17 HG22 VAL 554 2HG2 VAL 554 3.311 5.123 -12.360 18 HG23 VAL 554 3HG2 VAL 554 3.196 4.156 -10.889 19 HA PRO 555 HA PRO 555 0.171 1.425 -13.804 20 HB2 PRO 555 1HB PRO 555 -1.322 0.192 -11.901 21 HB3 PRO 555 2HB PRO 555 -0.228 -0.682 -12.978 22 HG2 PRO 555 1HG PRO 555 0.204 0.201 -10.150 23 HG3 PRO 555 2HG PRO 555 0.620 -1.344 -10.917 24 HD2 PRO 555 1HD PRO 555 2.446 0.611 -10.492 25 HD3 PRO 555 2HD PRO 555 2.535 -0.494 -11.880 26 H GLY 556 H GLY 556 -2.210 1.932 -13.000 27 HA2 GLY 556 1HA GLY 556 -2.113 4.209 -11.129 28 HA3 GLY 556 2HA GLY 556 -2.862 4.385 -12.707 29 H ARG 557 H ARG 557 -3.024 1.678 -10.420 30 HA ARG 557 HA ARG 557 -5.950 2.001 -10.407 31 HB2 ARG 557 1HB ARG 557 -5.333 -0.107 -11.366 32 HB3 ARG 557 2HB ARG 557 -4.220 -0.446 -10.047 33 HG2 ARG 557 1HG ARG 557 -5.999 -0.791 -8.518 34 HG3 ARG 557 2HG ARG 557 -7.186 -0.156 -9.659 35 HD2 ARG 557 1HD ARG 557 -6.355 -2.089 -11.187 36 HD3 ARG 557 2HD ARG 557 -5.747 -2.778 -9.681 37 HE ARG 557 HE ARG 557 -8.367 -2.113 -9.181 38 HH11 ARG 557 1HH1 ARG 557 -7.976 -5.290 -11.588 39 HH12 ARG 557 2HH1 ARG 557 -6.677 -4.154 -11.439 40 HH21 ARG 557 1HH2 ARG 557 -9.916 -4.974 -10.410 41 HH22 ARG 557 2HH2 ARG 557 -10.086 -3.602 -9.369 42 H SER 558 H SER 558 -7.091 1.822 -8.467 43 HA SER 558 HA SER 558 -5.519 2.507 -6.105 44 HB2 SER 558 1HB SER 558 -7.909 2.900 -5.156 45 HB3 SER 558 2HB SER 558 -7.276 4.031 -6.352 46 HG SER 558 HG SER 558 -9.001 3.550 -7.441 47 H PHE 559 H PHE 559 -5.065 1.068 -4.586 48 HA PHE 559 HA PHE 559 -6.641 -1.415 -4.488 49 HB2 PHE 559 1HB PHE 559 -3.752 -0.828 -3.921 50 HB3 PHE 559 2HB PHE 559 -4.529 -2.238 -3.211 51 HD1 PHE 559 1HD PHE 559 -4.534 -0.612 -6.573 52 HD2 PHE 559 2HD PHE 559 -4.033 -4.180 -4.308 53 HE1 PHE 559 1HE PHE 559 -4.137 -1.871 -8.651 54 HE2 PHE 559 2HE PHE 559 -3.633 -5.445 -6.381 55 HZ PHE 559 HZ PHE 559 -3.684 -4.290 -8.555 56 H MET 560 H MET 560 -7.329 -2.235 -2.510 57 HA MET 560 HA MET 560 -7.484 -0.238 -0.372 58 HB2 MET 560 1HB MET 560 -9.553 -1.366 -1.367 59 HB3 MET 560 2HB MET 560 -9.034 -2.819 -0.524 60 HG2 MET 560 1HG MET 560 -9.020 -1.380 1.582 61 HG3 MET 560 2HG MET 560 -9.926 -0.204 0.633 62 HE1 MET 560 1HE MET 560 -9.561 -3.326 2.335 63 HE2 MET 560 2HE MET 560 -11.039 -3.099 3.271 64 HE3 MET 560 3HE MET 560 -10.973 -4.333 2.011 65 H ALA 561 H ALA 561 -7.073 -0.796 1.810 66 HA ALA 561 HA ALA 561 -5.043 -2.884 2.087 67 HB1 ALA 561 1HB ALA 561 -4.000 -1.385 3.341 68 HB2 ALA 561 2HB ALA 561 -5.351 -0.267 3.149 69 HB3 ALA 561 3HB ALA 561 -5.338 -1.411 4.490 70 H VAL 562 H VAL 562 -5.750 -4.816 2.705 71 HA VAL 562 HA VAL 562 -8.231 -5.168 4.109 72 HB VAL 562 HB VAL 562 -7.523 -7.595 4.163 73 HG11 VAL 562 1HG1 VAL 562 -8.867 -7.484 2.386 74 HG12 VAL 562 2HG1 VAL 562 -8.199 -5.931 1.877 75 HG13 VAL 562 3HG1 VAL 562 -7.394 -7.432 1.415 76 HG21 VAL 562 1HG2 VAL 562 -5.560 -8.327 3.249 77 HG22 VAL 562 2HG2 VAL 562 -5.409 -6.933 2.180 78 HG23 VAL 562 3HG2 VAL 562 -5.027 -6.774 3.894 79 H LYS 563 H LYS 563 -5.075 -4.488 5.058 80 HA LYS 563 HA LYS 563 -5.748 -4.855 7.838 81 HB2 LYS 563 1HB LYS 563 -3.726 -6.214 8.338 82 HB3 LYS 563 2HB LYS 563 -4.919 -7.072 7.374 83 HG2 LYS 563 1HG LYS 563 -3.415 -6.095 5.399 84 HG3 LYS 563 2HG LYS 563 -2.193 -6.181 6.670 85 HD2 LYS 563 1HD LYS 563 -3.987 -8.485 5.928 86 HD3 LYS 563 2HD LYS 563 -2.387 -8.230 5.225 87 HE2 LYS 563 1HE LYS 563 -2.631 -8.217 8.187 88 HE3 LYS 563 2HE LYS 563 -2.765 -9.765 7.356 89 HZ1 LYS 563 1HZ LYS 563 -0.458 -8.005 7.649 90 HZ2 LYS 563 2HZ LYS 563 -0.610 -8.817 6.173 91 HZ3 LYS 563 3HZ LYS 563 -0.533 -9.695 7.617 92 H SER 564 H SER 564 -4.349 -3.728 9.258 93 HA SER 564 HA SER 564 -3.038 -1.482 8.006 94 HB2 SER 564 1HB SER 564 -2.734 -0.672 10.328 95 HB3 SER 564 2HB SER 564 -4.409 -1.108 9.991 96 HG SER 564 HG SER 564 -2.606 -2.237 11.739 97 H TYR 565 H TYR 565 -0.883 -0.753 8.961 98 HA TYR 565 HA TYR 565 0.915 -2.906 9.698 99 HB2 TYR 565 1HB TYR 565 0.917 -3.044 7.255 100 HB3 TYR 565 2HB TYR 565 1.308 -1.331 7.145 101 HD1 TYR 565 1HD TYR 565 2.614 -4.534 8.539 102 HD2 TYR 565 2HD TYR 565 3.534 -0.668 7.019 103 HE1 TYR 565 1HE TYR 565 5.010 -5.086 8.600 104 HE2 TYR 565 2HE TYR 565 5.932 -1.209 7.074 105 HH TYR 565 HH TYR 565 7.410 -3.014 7.170 106 H GLN 566 H GLN 566 2.845 -2.193 10.626 107 HA GLN 566 HA GLN 566 2.908 0.687 11.236 108 HB2 GLN 566 1HB GLN 566 2.500 -0.887 13.151 109 HB3 GLN 566 2HB GLN 566 4.106 -1.550 12.875 110 HG2 GLN 566 1HG GLN 566 5.147 0.500 13.454 111 HG3 GLN 566 2HG GLN 566 3.605 1.356 13.449 112 HE21 GLN 566 1HE2 GLN 566 4.962 -0.252 16.804 113 HE22 GLN 566 2HE2 GLN 566 5.897 0.004 15.374 114 H ALA 567 H ALA 567 4.386 1.682 10.034 115 HA ALA 567 HA ALA 567 6.478 0.563 8.634 116 HB1 ALA 567 1HB ALA 567 6.823 3.302 9.761 117 HB2 ALA 567 2HB ALA 567 7.147 2.701 8.133 118 HB3 ALA 567 3HB ALA 567 5.487 2.988 8.652 119 H GLN 568 H GLN 568 8.569 0.036 9.039 120 HA GLN 568 HA GLN 568 9.511 0.350 11.812 121 HB2 GLN 568 1HB GLN 568 10.308 -1.898 9.972 122 HB3 GLN 568 2HB GLN 568 10.568 -1.777 11.707 123 HG2 GLN 568 1HG GLN 568 8.113 -1.897 12.030 124 HG3 GLN 568 2HG GLN 568 7.941 -2.169 10.297 125 HE21 GLN 568 1HE2 GLN 568 7.972 -5.400 12.171 126 HE22 GLN 568 2HE2 GLN 568 7.074 -3.932 12.322 127 H ALA 569 H ALA 569 10.301 0.472 8.413 128 HA ALA 569 HA ALA 569 13.070 1.197 8.964 129 HB1 ALA 569 1HB ALA 569 11.949 -0.214 6.930 130 HB2 ALA 569 2HB ALA 569 12.121 1.380 6.198 131 HB3 ALA 569 3HB ALA 569 13.533 0.559 6.864 132 H GLU 570 H GLU 570 13.583 2.972 6.921 133 HA GLU 570 HA GLU 570 12.414 5.398 8.018 134 HB2 GLU 570 1HB GLU 570 14.371 5.554 5.799 135 HB3 GLU 570 2HB GLU 570 14.271 6.494 7.281 136 HG2 GLU 570 1HG GLU 570 14.979 4.232 8.396 137 HG3 GLU 570 2HG GLU 570 15.591 3.877 6.781 138 H GLY 571 H GLY 571 12.656 3.714 4.913 139 HA2 GLY 571 1HA GLY 571 11.014 5.718 3.595 140 HA3 GLY 571 2HA GLY 571 11.713 4.287 2.851 141 H GLU 572 H GLU 572 10.462 2.931 5.421 142 HA GLU 572 HA GLU 572 8.107 2.038 4.035 143 HB2 GLU 572 1HB GLU 572 9.539 1.283 6.534 144 HB3 GLU 572 2HB GLU 572 7.842 0.841 6.400 145 HG2 GLU 572 1HG GLU 572 8.859 -1.028 5.563 146 HG3 GLU 572 2HG GLU 572 8.561 -0.113 4.086 147 H ILE 573 H ILE 573 5.954 2.156 4.816 148 HA ILE 573 HA ILE 573 5.458 4.297 6.773 149 HB ILE 573 HB ILE 573 3.459 4.950 5.409 150 HG12 ILE 573 1HG1 ILE 573 4.735 3.709 3.018 151 HG13 ILE 573 2HG1 ILE 573 3.775 2.669 4.065 152 HG21 ILE 573 1HG2 ILE 573 6.236 5.296 4.315 153 HG22 ILE 573 2HG2 ILE 573 4.843 6.149 3.650 154 HG23 ILE 573 3HG2 ILE 573 5.312 6.401 5.331 155 HD11 ILE 573 1HD1 ILE 573 2.923 4.578 2.097 156 HD12 ILE 573 2HD1 ILE 573 1.990 3.350 2.954 157 HD13 ILE 573 3HD1 ILE 573 2.219 4.945 3.673 158 H SER 574 H SER 574 3.160 4.259 7.579 159 HA SER 574 HA SER 574 2.508 1.537 8.336 160 HB2 SER 574 1HB SER 574 1.735 4.260 9.295 161 HB3 SER 574 2HB SER 574 0.662 2.907 9.658 162 HG SER 574 HG SER 574 2.766 3.579 10.998 163 H LEU 575 H LEU 575 0.004 1.157 8.572 164 HA LEU 575 HA LEU 575 -1.417 2.095 6.192 165 HB2 LEU 575 1HB LEU 575 -0.523 -0.658 6.745 166 HB3 LEU 575 2HB LEU 575 -2.194 -0.492 6.211 167 HG LEU 575 HG LEU 575 -1.068 0.951 4.301 168 HD11 LEU 575 1HD1 LEU 575 1.095 0.122 3.652 169 HD12 LEU 575 2HD1 LEU 575 1.125 -0.986 5.024 170 HD13 LEU 575 3HD1 LEU 575 1.189 0.756 5.296 171 HD21 LEU 575 1HD2 LEU 575 -1.782 -1.846 4.617 172 HD22 LEU 575 2HD2 LEU 575 -0.577 -1.597 3.352 173 HD23 LEU 575 3HD2 LEU 575 -2.115 -0.734 3.288 174 H SER 576 H SER 576 -3.754 1.211 6.248 175 HA SER 576 HA SER 576 -4.761 0.856 8.962 176 HB2 SER 576 1HB SER 576 -5.220 3.261 7.259 177 HB3 SER 576 2HB SER 576 -6.572 2.663 8.220 178 HG SER 576 HG SER 576 -4.683 4.208 9.059 179 H LYS 577 H LYS 577 -6.196 -0.730 8.952 180 HA LYS 577 HA LYS 577 -7.075 -2.082 6.704 181 HB2 LYS 577 1HB LYS 577 -7.196 -2.618 9.307 182 HB3 LYS 577 2HB LYS 577 -8.844 -2.042 9.103 183 HG2 LYS 577 1HG LYS 577 -7.824 -4.068 7.187 184 HG3 LYS 577 2HG LYS 577 -8.219 -4.586 8.828 185 HD2 LYS 577 1HD LYS 577 -10.409 -3.144 8.294 186 HD3 LYS 577 2HD LYS 577 -9.990 -3.637 6.652 187 HE2 LYS 577 1HE LYS 577 -10.391 -5.844 7.067 188 HE3 LYS 577 2HE LYS 577 -9.952 -5.716 8.770 189 HZ1 LYS 577 1HZ LYS 577 -12.474 -4.755 7.533 190 HZ2 LYS 577 2HZ LYS 577 -12.051 -4.542 9.155 191 HZ3 LYS 577 3HZ LYS 577 -12.305 -6.099 8.546 192 H GLY 578 H GLY 578 -8.553 -1.686 5.190 193 HA2 GLY 578 1HA GLY 578 -10.629 -1.001 4.341 194 HA3 GLY 578 2HA GLY 578 -10.913 -0.100 5.823 195 H GLU 579 H GLU 579 -7.892 0.744 5.039 196 HA GLU 579 HA GLU 579 -8.758 3.258 3.896 197 HB2 GLU 579 1HB GLU 579 -6.899 2.770 5.720 198 HB3 GLU 579 2HB GLU 579 -5.877 2.603 4.300 199 HG2 GLU 579 1HG GLU 579 -5.825 4.863 5.268 200 HG3 GLU 579 2HG GLU 579 -6.389 4.840 3.598 201 H LYS 580 H LYS 580 -8.344 4.002 1.872 202 HA LYS 580 HA LYS 580 -7.621 2.032 -0.121 203 HB2 LYS 580 1HB LYS 580 -9.454 3.942 -0.199 204 HB3 LYS 580 2HB LYS 580 -8.108 4.896 -0.810 205 HG2 LYS 580 1HG LYS 580 -9.249 4.048 -2.693 206 HG3 LYS 580 2HG LYS 580 -7.765 3.107 -2.542 207 HD2 LYS 580 1HD LYS 580 -9.498 1.559 -3.005 208 HD3 LYS 580 2HD LYS 580 -9.128 1.388 -1.289 209 HE2 LYS 580 1HE LYS 580 -11.542 1.393 -1.702 210 HE3 LYS 580 2HE LYS 580 -11.045 2.768 -0.717 211 HZ1 LYS 580 1HZ LYS 580 -11.783 4.183 -2.243 212 HZ2 LYS 580 2HZ LYS 580 -12.541 2.874 -2.998 213 HZ3 LYS 580 3HZ LYS 580 -11.008 3.374 -3.508 214 H ILE 581 H ILE 581 -5.514 1.637 -0.378 215 HA ILE 581 HA ILE 581 -3.580 3.808 -0.142 216 HB ILE 581 HB ILE 581 -2.819 0.987 -0.793 217 HG12 ILE 581 1HG1 ILE 581 -4.381 0.707 1.029 218 HG13 ILE 581 2HG1 ILE 581 -2.747 0.524 1.660 219 HG21 ILE 581 1HG2 ILE 581 -1.561 3.340 0.559 220 HG22 ILE 581 2HG2 ILE 581 -0.956 1.710 0.851 221 HG23 ILE 581 3HG2 ILE 581 -0.959 2.369 -0.784 222 HD11 ILE 581 1HD1 ILE 581 -3.379 3.238 1.927 223 HD12 ILE 581 2HD1 ILE 581 -4.803 2.340 2.453 224 HD13 ILE 581 3HD1 ILE 581 -3.237 2.026 3.201 225 H LYS 582 H LYS 582 -2.916 4.894 -1.862 226 HA LYS 582 HA LYS 582 -3.416 3.820 -4.529 227 HB2 LYS 582 1HB LYS 582 -4.170 6.064 -4.233 228 HB3 LYS 582 2HB LYS 582 -2.637 6.557 -3.525 229 HG2 LYS 582 1HG LYS 582 -2.921 7.365 -5.823 230 HG3 LYS 582 2HG LYS 582 -1.525 6.297 -5.652 231 HD2 LYS 582 1HD LYS 582 -2.719 4.473 -6.642 232 HD3 LYS 582 2HD LYS 582 -4.230 5.385 -6.623 233 HE2 LYS 582 1HE LYS 582 -3.750 6.043 -8.693 234 HE3 LYS 582 2HE LYS 582 -2.441 7.005 -8.008 235 HZ1 LYS 582 1HZ LYS 582 -2.238 4.217 -9.010 236 HZ2 LYS 582 2HZ LYS 582 -0.981 5.066 -8.262 237 HZ3 LYS 582 3HZ LYS 582 -1.595 5.600 -9.745 238 H VAL 583 H VAL 583 -1.839 2.404 -5.065 239 HA VAL 583 HA VAL 583 0.878 2.645 -4.331 240 HB VAL 583 HB VAL 583 -0.302 1.091 -6.638 241 HG11 VAL 583 1HG1 VAL 583 2.175 1.484 -6.692 242 HG12 VAL 583 2HG1 VAL 583 2.282 0.597 -5.171 243 HG13 VAL 583 3HG1 VAL 583 1.693 -0.211 -6.624 244 HG21 VAL 583 1HG2 VAL 583 0.462 -0.405 -4.269 245 HG22 VAL 583 2HG2 VAL 583 -0.811 0.770 -3.941 246 HG23 VAL 583 3HG2 VAL 583 -1.036 -0.448 -5.197 247 H LEU 584 H LEU 584 2.561 3.655 -5.261 248 HA LEU 584 HA LEU 584 2.076 5.040 -7.815 249 HB2 LEU 584 1HB LEU 584 3.957 5.919 -5.636 250 HB3 LEU 584 2HB LEU 584 3.504 6.815 -7.085 251 HG LEU 584 HG LEU 584 1.654 6.160 -4.793 252 HD11 LEU 584 1HD1 LEU 584 2.764 8.848 -5.546 253 HD12 LEU 584 2HD1 LEU 584 3.511 7.811 -4.333 254 HD13 LEU 584 3HD1 LEU 584 1.866 8.402 -4.095 255 HD21 LEU 584 1HD2 LEU 584 0.312 6.342 -6.699 256 HD22 LEU 584 2HD2 LEU 584 1.299 7.634 -7.383 257 HD23 LEU 584 3HD2 LEU 584 0.272 7.953 -5.983 258 H SER 585 H SER 585 4.336 3.201 -5.868 259 HA SER 585 HA SER 585 5.939 2.732 -8.289 260 HB2 SER 585 1HB SER 585 7.590 3.911 -7.292 261 HB3 SER 585 2HB SER 585 6.812 3.839 -5.711 262 HG SER 585 HG SER 585 8.875 2.417 -6.600 263 H ILE 586 H ILE 586 7.233 0.732 -8.178 264 HA ILE 586 HA ILE 586 6.291 -1.256 -6.259 265 HB ILE 586 HB ILE 586 5.820 -2.899 -8.031 266 HG12 ILE 586 1HG1 ILE 586 5.315 -1.620 -10.331 267 HG13 ILE 586 2HG1 ILE 586 6.636 -0.613 -9.749 268 HG21 ILE 586 1HG2 ILE 586 3.639 -2.177 -8.478 269 HG22 ILE 586 2HG2 ILE 586 4.082 -1.342 -6.990 270 HG23 ILE 586 3HG2 ILE 586 4.117 -0.480 -8.527 271 HD11 ILE 586 1HD1 ILE 586 7.358 -3.351 -9.442 272 HD12 ILE 586 2HD1 ILE 586 6.784 -3.080 -11.087 273 HD13 ILE 586 3HD1 ILE 586 8.105 -2.106 -10.444 274 H GLY 587 H GLY 587 7.523 -3.331 -6.466 275 HA2 GLY 587 1HA GLY 587 10.266 -2.794 -7.429 276 HA3 GLY 587 2HA GLY 587 9.930 -3.643 -5.927 277 H GLU 588 H GLU 588 9.553 -5.806 -5.961 278 HA GLU 588 HA GLU 588 9.117 -7.131 -8.526 279 HB2 GLU 588 1HB GLU 588 11.522 -7.134 -8.348 280 HB3 GLU 588 2HB GLU 588 11.442 -7.714 -6.690 281 HG2 GLU 588 1HG GLU 588 10.514 -9.828 -7.459 282 HG3 GLU 588 2HG GLU 588 10.553 -9.248 -9.123 283 H GLY 589 H GLY 589 9.986 -8.071 -5.191 284 HA2 GLY 589 1HA GLY 589 8.244 -10.304 -5.161 285 HA3 GLY 589 2HA GLY 589 9.014 -9.580 -3.758 286 H GLY 590 H GLY 590 7.285 -9.630 -2.379 287 HA2 GLY 590 1HA GLY 590 4.738 -8.503 -3.245 288 HA3 GLY 590 2HA GLY 590 5.058 -9.296 -1.710 289 H PHE 591 H PHE 591 7.102 -6.756 -2.965 290 HA PHE 591 HA PHE 591 6.008 -4.928 -0.932 291 HB2 PHE 591 1HB PHE 591 8.623 -6.034 -1.076 292 HB3 PHE 591 2HB PHE 591 8.753 -4.318 -1.449 293 HD1 PHE 591 1HD PHE 591 7.833 -6.784 1.096 294 HD2 PHE 591 2HD PHE 591 8.278 -2.644 0.209 295 HE1 PHE 591 1HE PHE 591 7.703 -6.258 3.497 296 HE2 PHE 591 2HE PHE 591 8.150 -2.114 2.608 297 HZ PHE 591 HZ PHE 591 7.863 -3.921 4.255 298 H TRP 592 H TRP 592 5.733 -2.818 -1.504 299 HA TRP 592 HA TRP 592 6.888 -1.728 -3.899 300 HB2 TRP 592 1HB TRP 592 4.736 -1.262 -5.021 301 HB3 TRP 592 2HB TRP 592 5.056 -2.990 -4.893 302 HD1 TRP 592 HD TRP 592 3.998 -2.150 -1.569 303 HE1 TRP 592 1HE TRP 592 1.479 -2.547 -1.221 304 HE3 TRP 592 3HE TRP 592 2.551 -2.518 -6.459 305 HZ2 TRP 592 2HZ TRP 592 -0.818 -2.961 -2.810 306 HZ3 TRP 592 3HZ TRP 592 0.175 -2.917 -6.959 307 HH2 TRP 592 HH TRP 592 -1.473 -3.134 -5.171 308 H GLU 593 H GLU 593 5.966 0.534 -4.312 309 HA GLU 593 HA GLU 593 5.646 1.839 -1.706 310 HB2 GLU 593 1HB GLU 593 7.173 2.436 -4.051 311 HB3 GLU 593 2HB GLU 593 6.045 3.754 -3.758 312 HG2 GLU 593 1HG GLU 593 7.393 2.860 -1.342 313 HG3 GLU 593 2HG GLU 593 8.505 3.435 -2.584 314 H GLY 594 H GLY 594 3.993 3.277 -1.281 315 HA2 GLY 594 1HA GLY 594 2.073 3.956 -3.339 316 HA3 GLY 594 2HA GLY 594 1.472 2.842 -2.119 317 H GLN 595 H GLN 595 -0.040 4.798 -1.972 318 HA GLN 595 HA GLN 595 0.997 6.561 0.141 319 HB2 GLN 595 1HB GLN 595 0.912 7.956 -1.790 320 HB3 GLN 595 2HB GLN 595 -0.665 7.330 -2.254 321 HG2 GLN 595 1HG GLN 595 -0.526 8.613 0.392 322 HG3 GLN 595 2HG GLN 595 -0.284 9.672 -0.996 323 HE21 GLN 595 1HE2 GLN 595 -3.810 9.920 -0.595 324 HE22 GLN 595 2HE2 GLN 595 -2.313 10.568 -0.029 325 H VAL 596 H VAL 596 -0.263 6.741 1.899 326 HA VAL 596 HA VAL 596 -3.026 5.736 1.737 327 HB VAL 596 HB VAL 596 -1.739 3.990 2.784 328 HG11 VAL 596 1HG1 VAL 596 -0.292 6.183 3.912 329 HG12 VAL 596 2HG1 VAL 596 -0.861 5.128 5.208 330 HG13 VAL 596 3HG1 VAL 596 0.122 4.469 3.898 331 HG21 VAL 596 1HG2 VAL 596 -3.976 5.089 3.840 332 HG22 VAL 596 2HG2 VAL 596 -3.232 3.602 4.425 333 HG23 VAL 596 3HG2 VAL 596 -2.897 5.132 5.234 334 H LYS 597 H LYS 597 -4.314 7.412 2.116 335 HA LYS 597 HA LYS 597 -4.995 9.489 2.848 336 HB2 LYS 597 1HB LYS 597 -5.171 9.497 5.394 337 HB3 LYS 597 2HB LYS 597 -5.968 8.178 4.547 338 HG2 LYS 597 1HG LYS 597 -4.933 7.090 6.290 339 HG3 LYS 597 2HG LYS 597 -3.760 6.894 4.986 340 HD2 LYS 597 1HD LYS 597 -2.625 7.533 7.029 341 HD3 LYS 597 2HD LYS 597 -2.517 8.841 5.848 342 HE2 LYS 597 1HE LYS 597 -3.282 10.185 7.454 343 HE3 LYS 597 2HE LYS 597 -4.843 9.394 7.237 344 HZ1 LYS 597 1HZ LYS 597 -3.082 7.900 8.926 345 HZ2 LYS 597 2HZ LYS 597 -4.673 8.403 9.205 346 HZ3 LYS 597 3HZ LYS 597 -3.385 9.449 9.535 347 H GLY 598 H GLY 598 -2.239 9.515 2.107 348 HA2 GLY 598 1HA GLY 598 -1.019 11.651 2.280 349 HA3 GLY 598 2HA GLY 598 -1.231 11.530 4.021 350 H ARG 599 H ARG 599 -0.474 9.074 4.686 351 HA ARG 599 HA ARG 599 2.309 9.163 4.652 352 HB2 ARG 599 1HB ARG 599 0.257 7.211 5.497 353 HB3 ARG 599 2HB ARG 599 1.854 6.545 5.177 354 HG2 ARG 599 1HG ARG 599 2.500 8.687 6.693 355 HG3 ARG 599 2HG ARG 599 0.925 8.263 7.365 356 HD2 ARG 599 1HD ARG 599 1.636 6.116 7.972 357 HD3 ARG 599 2HD ARG 599 3.048 6.191 6.918 358 HE ARG 599 HE ARG 599 4.198 7.198 8.612 359 HH11 ARG 599 1HH1 ARG 599 1.007 8.166 10.827 360 HH12 ARG 599 2HH1 ARG 599 0.788 7.482 9.251 361 HH21 ARG 599 1HH2 ARG 599 3.120 8.518 11.642 362 HH22 ARG 599 2HH2 ARG 599 4.500 8.099 10.686 363 H VAL 600 H VAL 600 3.456 9.106 2.818 364 HA VAL 600 HA VAL 600 2.848 6.981 0.867 365 HB VAL 600 HB VAL 600 4.379 9.521 0.316 366 HG11 VAL 600 1HG1 VAL 600 4.804 7.567 -1.161 367 HG12 VAL 600 2HG1 VAL 600 3.089 7.566 -1.583 368 HG13 VAL 600 3HG1 VAL 600 4.101 8.950 -2.001 369 HG21 VAL 600 1HG2 VAL 600 2.436 10.604 0.348 370 HG22 VAL 600 2HG2 VAL 600 1.938 9.622 -1.029 371 HG23 VAL 600 3HG2 VAL 600 1.539 9.108 0.609 372 H GLY 601 H GLY 601 4.239 5.349 0.864 373 HA2 GLY 601 1HA GLY 601 7.054 5.728 0.748 374 HA3 GLY 601 2HA GLY 601 6.573 5.190 2.350 375 H TRP 602 H TRP 602 7.655 3.223 2.153 376 HA TRP 602 HA TRP 602 6.681 1.394 0.074 377 HB2 TRP 602 1HB TRP 602 9.059 1.129 1.927 378 HB3 TRP 602 2HB TRP 602 8.616 -0.010 0.660 379 HD1 TRP 602 HD TRP 602 9.311 3.821 0.770 380 HE1 TRP 602 1HE TRP 602 10.773 4.407 -1.266 381 HE3 TRP 602 3HE TRP 602 9.698 -0.829 -1.320 382 HZ2 TRP 602 2HZ TRP 602 11.936 3.076 -3.467 383 HZ3 TRP 602 3HZ TRP 602 11.002 -1.087 -3.391 384 HH2 TRP 602 HH TRP 602 12.096 0.827 -4.440 385 H PHE 603 H PHE 603 6.030 -0.746 0.629 386 HA PHE 603 HA PHE 603 5.765 -1.697 3.257 387 HB2 PHE 603 1HB PHE 603 3.342 -1.441 3.594 388 HB3 PHE 603 2HB PHE 603 4.146 0.124 3.509 389 HD1 PHE 603 1HD PHE 603 1.836 -2.167 1.859 390 HD2 PHE 603 2HD PHE 603 3.800 1.601 1.620 391 HE1 PHE 603 1HE PHE 603 0.284 -1.475 0.079 392 HE2 PHE 603 2HE PHE 603 2.250 2.301 -0.159 393 HZ PHE 603 HZ PHE 603 0.489 0.761 -0.931 394 HA PRO 604 HA PRO 604 4.868 -5.402 1.084 395 HB2 PRO 604 1HB PRO 604 3.414 -6.782 2.914 396 HB3 PRO 604 2HB PRO 604 5.154 -6.512 3.075 397 HG2 PRO 604 1HG PRO 604 2.882 -5.050 4.367 398 HG3 PRO 604 2HG PRO 604 4.413 -5.591 5.078 399 HD2 PRO 604 1HD PRO 604 3.988 -3.031 4.309 400 HD3 PRO 604 2HD PRO 604 5.586 -3.799 4.228 401 H SER 605 H SER 605 3.482 -5.777 -0.520 402 HA SER 605 HA SER 605 0.934 -4.543 -0.659 403 HB2 SER 605 1HB SER 605 0.968 -5.166 -2.840 404 HB3 SER 605 2HB SER 605 2.651 -5.569 -2.506 405 HG SER 605 HG SER 605 0.850 -7.196 -3.378 406 H ASP 606 H ASP 606 1.978 -7.340 0.884 407 HA ASP 606 HA ASP 606 -0.145 -9.118 0.535 408 HB2 ASP 606 1HB ASP 606 2.139 -9.343 1.826 409 HB3 ASP 606 2HB ASP 606 1.165 -8.854 3.212 410 H CYS 607 H CYS 607 0.018 -6.138 2.249 411 HA CYS 607 HA CYS 607 -2.411 -6.712 3.766 412 HB2 CYS 607 1HB CYS 607 -0.829 -4.142 3.770 413 HB3 CYS 607 2HB CYS 607 -1.976 -4.703 4.980 414 HG CYS 607 HG CYS 607 0.322 -6.981 4.790 415 H LEU 608 H LEU 608 -1.663 -5.674 0.739 416 HA LEU 608 HA LEU 608 -3.956 -3.841 0.582 417 HB2 LEU 608 1HB LEU 608 -1.365 -3.982 -0.764 418 HB3 LEU 608 2HB LEU 608 -2.720 -3.718 -1.860 419 HG LEU 608 HG LEU 608 -1.539 -1.649 -1.056 420 HD11 LEU 608 1HD1 LEU 608 -4.050 -0.881 -0.120 421 HD12 LEU 608 2HD1 LEU 608 -4.357 -2.208 -1.239 422 HD13 LEU 608 3HD1 LEU 608 -3.453 -0.792 -1.779 423 HD21 LEU 608 1HD2 LEU 608 -3.053 -1.787 1.480 424 HD22 LEU 608 2HD2 LEU 608 -1.512 -1.011 1.118 425 HD23 LEU 608 3HD2 LEU 608 -1.581 -2.754 1.380 426 H GLU 609 H GLU 609 -5.065 -3.952 -1.655 427 HA GLU 609 HA GLU 609 -5.140 -6.509 -2.943 428 HB2 GLU 609 1HB GLU 609 -7.617 -6.836 -2.386 429 HB3 GLU 609 2HB GLU 609 -6.448 -7.260 -1.146 430 HG2 GLU 609 1HG GLU 609 -7.059 -5.547 0.221 431 HG3 GLU 609 2HG GLU 609 -7.565 -4.514 -1.114 432 H GLU 610 H GLU 610 -6.867 -6.580 -4.638 433 HA GLU 610 HA GLU 610 -7.225 -3.886 -5.751 434 HB2 GLU 610 1HB GLU 610 -7.744 -5.297 -7.876 435 HB3 GLU 610 2HB GLU 610 -6.079 -5.110 -7.349 436 HG2 GLU 610 1HG GLU 610 -7.666 -7.455 -6.419 437 HG3 GLU 610 2HG GLU 610 -6.980 -7.444 -8.042 438 H VAL 611 H VAL 611 -9.157 -3.030 -5.386 439 HA VAL 611 HA VAL 611 -11.478 -4.721 -4.958 440 HB VAL 611 HB VAL 611 -12.660 -2.568 -4.517 441 HG11 VAL 611 1HG1 VAL 611 -11.601 -2.153 -2.387 442 HG12 VAL 611 2HG1 VAL 611 -11.575 -3.884 -2.728 443 HG13 VAL 611 3HG1 VAL 611 -10.113 -2.919 -2.942 444 HG21 VAL 611 1HG2 VAL 611 -11.730 -0.536 -4.826 445 HG22 VAL 611 2HG2 VAL 611 -10.120 -1.084 -4.359 446 HG23 VAL 611 3HG2 VAL 611 -10.722 -1.401 -5.986 447 H ALA 612 H ALA 612 -13.581 -3.973 -5.999 448 HA ALA 612 HA ALA 612 -13.097 -3.475 -8.865 449 HB1 ALA 612 1HB ALA 612 -14.017 -5.741 -8.129 450 HB2 ALA 612 2HB ALA 612 -15.514 -4.882 -7.775 451 HB3 ALA 612 3HB ALA 612 -14.874 -4.897 -9.419 452 H ASN 613 H ASN 613 -13.174 -1.175 -7.828 453 HA ASN 613 HA ASN 613 -15.953 -0.223 -8.048 454 HB2 ASN 613 1HB ASN 613 -13.812 0.575 -6.091 455 HB3 ASN 613 2HB ASN 613 -15.126 1.676 -6.493 456 HD21 ASN 613 1HD2 ASN 613 -15.751 -0.773 -3.581 457 HD22 ASN 613 2HD2 ASN 613 -14.268 -0.044 -4.086 Start of MODEL 23 1 H1 MET 553 H MET 553 6.023 1.283 -15.832 2 HA MET 553 HA MET 553 3.672 0.775 -16.604 3 HB2 MET 553 1HB MET 553 3.916 -1.666 -16.531 4 HB3 MET 553 2HB MET 553 5.425 -0.882 -16.980 5 HG2 MET 553 1HG MET 553 5.009 -1.472 -14.111 6 HG3 MET 553 2HG MET 553 5.292 -2.837 -15.188 7 HE1 MET 553 1HE MET 553 7.458 -3.308 -16.465 8 HE2 MET 553 2HE MET 553 8.945 -2.959 -15.582 9 HE3 MET 553 3HE MET 553 7.603 -3.766 -14.768 10 H VAL 554 H VAL 554 3.583 1.862 -13.827 11 HA VAL 554 HA VAL 554 2.326 0.194 -12.014 12 HB VAL 554 HB VAL 554 1.146 2.311 -11.214 13 HG11 VAL 554 1HG1 VAL 554 4.034 1.745 -11.334 14 HG12 VAL 554 2HG1 VAL 554 3.594 3.384 -10.847 15 HG13 VAL 554 3HG1 VAL 554 2.982 2.000 -9.943 16 HG21 VAL 554 1HG2 VAL 554 2.987 3.846 -12.969 17 HG22 VAL 554 2HG2 VAL 554 1.475 3.261 -13.665 18 HG23 VAL 554 3HG2 VAL 554 1.445 4.319 -12.257 19 HA PRO 555 HA PRO 555 -1.672 -0.733 -13.574 20 HB2 PRO 555 1HB PRO 555 -3.148 -0.749 -11.296 21 HB3 PRO 555 2HB PRO 555 -1.982 -2.017 -11.695 22 HG2 PRO 555 1HG PRO 555 -1.671 0.340 -9.875 23 HG3 PRO 555 2HG PRO 555 -1.154 -1.338 -9.630 24 HD2 PRO 555 1HD PRO 555 0.555 0.611 -10.407 25 HD3 PRO 555 2HD PRO 555 0.737 -1.078 -10.920 26 H GLY 556 H GLY 556 -1.633 1.939 -11.218 27 HA2 GLY 556 1HA GLY 556 -2.416 4.122 -11.684 28 HA3 GLY 556 2HA GLY 556 -3.354 3.475 -13.022 29 H ARG 557 H ARG 557 -4.425 1.290 -11.333 30 HA ARG 557 HA ARG 557 -6.729 2.685 -10.375 31 HB2 ARG 557 1HB ARG 557 -7.665 0.553 -9.956 32 HB3 ARG 557 2HB ARG 557 -6.689 0.365 -11.406 33 HG2 ARG 557 1HG ARG 557 -4.911 -0.263 -9.426 34 HG3 ARG 557 2HG ARG 557 -6.429 -0.902 -8.795 35 HD2 ARG 557 1HD ARG 557 -5.072 -1.560 -11.397 36 HD3 ARG 557 2HD ARG 557 -5.434 -2.644 -10.054 37 HE ARG 557 HE ARG 557 -7.220 -1.827 -12.157 38 HH11 ARG 557 1HH1 ARG 557 -8.550 -3.784 -8.928 39 HH12 ARG 557 2HH1 ARG 557 -6.977 -3.059 -8.910 40 HH21 ARG 557 1HH2 ARG 557 -9.866 -3.624 -10.797 41 HH22 ARG 557 2HH2 ARG 557 -9.293 -2.777 -12.193 42 H SER 558 H SER 558 -7.631 2.139 -8.151 43 HA SER 558 HA SER 558 -5.497 2.567 -6.172 44 HB2 SER 558 1HB SER 558 -8.400 3.108 -5.628 45 HB3 SER 558 2HB SER 558 -6.975 3.859 -4.908 46 HG SER 558 HG SER 558 -6.671 4.562 -7.279 47 H PHE 559 H PHE 559 -5.119 1.082 -4.662 48 HA PHE 559 HA PHE 559 -6.935 -1.210 -4.490 49 HB2 PHE 559 1HB PHE 559 -4.031 -0.813 -3.821 50 HB3 PHE 559 2HB PHE 559 -4.928 -2.183 -3.171 51 HD1 PHE 559 1HD PHE 559 -4.297 -0.486 -6.431 52 HD2 PHE 559 2HD PHE 559 -4.905 -4.150 -4.353 53 HE1 PHE 559 1HE PHE 559 -3.897 -1.730 -8.515 54 HE2 PHE 559 2HE PHE 559 -4.504 -5.400 -6.433 55 HZ PHE 559 HZ PHE 559 -3.999 -4.191 -8.518 56 H MET 560 H MET 560 -7.180 -2.217 -2.305 57 HA MET 560 HA MET 560 -7.376 -0.143 -0.222 58 HB2 MET 560 1HB MET 560 -9.578 -0.856 -1.167 59 HB3 MET 560 2HB MET 560 -9.247 -2.486 -0.598 60 HG2 MET 560 1HG MET 560 -8.971 -1.383 1.713 61 HG3 MET 560 2HG MET 560 -9.813 -0.017 0.986 62 HE1 MET 560 1HE MET 560 -9.631 -3.475 2.008 63 HE2 MET 560 2HE MET 560 -10.977 -3.316 3.135 64 HE3 MET 560 3HE MET 560 -11.176 -4.247 1.649 65 H ALA 561 H ALA 561 -6.832 -0.702 1.870 66 HA ALA 561 HA ALA 561 -5.142 -3.052 2.118 67 HB1 ALA 561 1HB ALA 561 -5.117 -1.800 4.568 68 HB2 ALA 561 2HB ALA 561 -3.963 -1.540 3.260 69 HB3 ALA 561 3HB ALA 561 -5.352 -0.468 3.436 70 H VAL 562 H VAL 562 -5.719 -4.887 3.085 71 HA VAL 562 HA VAL 562 -8.354 -5.055 4.318 72 HB VAL 562 HB VAL 562 -8.116 -7.448 4.190 73 HG11 VAL 562 1HG1 VAL 562 -8.853 -6.458 2.156 74 HG12 VAL 562 2HG1 VAL 562 -7.205 -6.018 1.701 75 HG13 VAL 562 3HG1 VAL 562 -7.690 -7.714 1.731 76 HG21 VAL 562 1HG2 VAL 562 -5.279 -6.916 3.318 77 HG22 VAL 562 2HG2 VAL 562 -5.789 -7.665 4.830 78 HG23 VAL 562 3HG2 VAL 562 -6.067 -8.493 3.298 79 H LYS 563 H LYS 563 -5.221 -4.517 5.315 80 HA LYS 563 HA LYS 563 -5.923 -5.163 8.070 81 HB2 LYS 563 1HB LYS 563 -3.665 -6.186 8.441 82 HB3 LYS 563 2HB LYS 563 -4.743 -7.148 7.437 83 HG2 LYS 563 1HG LYS 563 -3.544 -5.947 5.468 84 HG3 LYS 563 2HG LYS 563 -2.290 -5.633 6.671 85 HD2 LYS 563 1HD LYS 563 -3.385 -8.344 5.918 86 HD3 LYS 563 2HD LYS 563 -1.828 -7.681 5.417 87 HE2 LYS 563 1HE LYS 563 -0.893 -8.424 7.289 88 HE3 LYS 563 2HE LYS 563 -2.030 -7.481 8.250 89 HZ1 LYS 563 1HZ LYS 563 -1.872 -10.221 8.101 90 HZ2 LYS 563 2HZ LYS 563 -3.257 -9.826 7.214 91 HZ3 LYS 563 3HZ LYS 563 -3.109 -9.317 8.821 92 H SER 564 H SER 564 -3.830 -4.464 9.465 93 HA SER 564 HA SER 564 -3.184 -1.740 8.549 94 HB2 SER 564 1HB SER 564 -3.366 -0.960 10.725 95 HB3 SER 564 2HB SER 564 -4.596 -2.225 10.719 96 HG SER 564 HG SER 564 -3.505 -3.167 12.231 97 H TYR 565 H TYR 565 -1.105 -1.092 8.451 98 HA TYR 565 HA TYR 565 0.948 -3.013 9.335 99 HB2 TYR 565 1HB TYR 565 0.707 -2.778 6.849 100 HB3 TYR 565 2HB TYR 565 1.170 -1.088 7.014 101 HD1 TYR 565 1HD TYR 565 2.351 -4.567 7.377 102 HD2 TYR 565 2HD TYR 565 3.450 -0.457 7.309 103 HE1 TYR 565 1HE TYR 565 4.721 -5.210 7.235 104 HE2 TYR 565 2HE TYR 565 5.822 -1.089 7.167 105 HH TYR 565 HH TYR 565 6.864 -4.412 7.508 106 H GLN 566 H GLN 566 2.833 -2.210 10.267 107 HA GLN 566 HA GLN 566 2.715 0.622 11.073 108 HB2 GLN 566 1HB GLN 566 2.276 -0.846 12.967 109 HB3 GLN 566 2HB GLN 566 3.752 -1.747 12.639 110 HG2 GLN 566 1HG GLN 566 5.022 0.374 13.042 111 HG3 GLN 566 2HG GLN 566 3.508 1.092 13.593 112 HE21 GLN 566 1HE2 GLN 566 5.582 -1.494 15.931 113 HE22 GLN 566 2HE2 GLN 566 6.007 -1.219 14.279 114 H ALA 567 H ALA 567 4.191 1.696 9.933 115 HA ALA 567 HA ALA 567 6.375 0.704 8.588 116 HB1 ALA 567 1HB ALA 567 5.281 3.113 8.719 117 HB2 ALA 567 2HB ALA 567 6.650 3.403 9.792 118 HB3 ALA 567 3HB ALA 567 6.927 2.866 8.136 119 H GLN 568 H GLN 568 8.394 0.088 9.093 120 HA GLN 568 HA GLN 568 9.287 0.475 11.875 121 HB2 GLN 568 1HB GLN 568 10.053 -1.867 10.140 122 HB3 GLN 568 2HB GLN 568 10.286 -1.684 11.873 123 HG2 GLN 568 1HG GLN 568 7.668 -1.527 11.886 124 HG3 GLN 568 2HG GLN 568 7.829 -2.378 10.352 125 HE21 GLN 568 1HE2 GLN 568 8.867 -5.413 11.762 126 HE22 GLN 568 2HE2 GLN 568 8.829 -4.438 10.337 127 H ALA 569 H ALA 569 10.155 0.414 8.488 128 HA ALA 569 HA ALA 569 12.935 1.062 9.052 129 HB1 ALA 569 1HB ALA 569 13.393 0.457 6.924 130 HB2 ALA 569 2HB ALA 569 11.844 -0.372 7.065 131 HB3 ALA 569 3HB ALA 569 11.929 1.203 6.281 132 H GLU 570 H GLU 570 13.545 2.785 6.995 133 HA GLU 570 HA GLU 570 12.476 5.275 8.045 134 HB2 GLU 570 1HB GLU 570 14.443 5.304 5.828 135 HB3 GLU 570 2HB GLU 570 14.379 6.278 7.289 136 HG2 GLU 570 1HG GLU 570 14.980 3.999 8.447 137 HG3 GLU 570 2HG GLU 570 15.596 3.605 6.843 138 H GLY 571 H GLY 571 12.660 3.545 4.958 139 HA2 GLY 571 1HA GLY 571 11.090 5.595 3.621 140 HA3 GLY 571 2HA GLY 571 11.751 4.141 2.888 141 H GLU 572 H GLU 572 10.464 2.796 5.426 142 HA GLU 572 HA GLU 572 8.090 1.973 4.041 143 HB2 GLU 572 1HB GLU 572 9.493 1.197 6.546 144 HB3 GLU 572 2HB GLU 572 7.779 0.821 6.433 145 HG2 GLU 572 1HG GLU 572 8.730 -1.098 5.621 146 HG3 GLU 572 2HG GLU 572 8.424 -0.201 4.135 147 H ILE 573 H ILE 573 5.934 2.123 4.843 148 HA ILE 573 HA ILE 573 5.473 4.293 6.773 149 HB ILE 573 HB ILE 573 3.518 5.014 5.374 150 HG12 ILE 573 1HG1 ILE 573 4.800 3.803 2.982 151 HG13 ILE 573 2HG1 ILE 573 3.851 2.729 4.004 152 HG21 ILE 573 1HG2 ILE 573 6.315 5.290 4.303 153 HG22 ILE 573 2HG2 ILE 573 4.950 6.225 3.694 154 HG23 ILE 573 3HG2 ILE 573 5.449 6.389 5.378 155 HD11 ILE 573 1HD1 ILE 573 2.286 5.016 3.650 156 HD12 ILE 573 2HD1 ILE 573 2.972 4.642 2.069 157 HD13 ILE 573 3HD1 ILE 573 2.046 3.421 2.939 158 H SER 574 H SER 574 3.292 4.283 7.703 159 HA SER 574 HA SER 574 2.488 1.587 8.345 160 HB2 SER 574 1HB SER 574 1.789 4.316 9.361 161 HB3 SER 574 2HB SER 574 0.726 2.959 9.736 162 HG SER 574 HG SER 574 3.111 3.606 10.817 163 H LEU 575 H LEU 575 -0.034 1.317 8.592 164 HA LEU 575 HA LEU 575 -1.463 2.410 6.298 165 HB2 LEU 575 1HB LEU 575 -0.677 -0.432 6.655 166 HB3 LEU 575 2HB LEU 575 -2.273 -0.094 5.990 167 HG LEU 575 HG LEU 575 -0.773 1.466 4.393 168 HD11 LEU 575 1HD1 LEU 575 0.976 -0.912 4.996 169 HD12 LEU 575 2HD1 LEU 575 1.312 0.742 5.503 170 HD13 LEU 575 3HD1 LEU 575 1.268 0.338 3.788 171 HD21 LEU 575 1HD2 LEU 575 -0.878 -1.419 3.689 172 HD22 LEU 575 2HD2 LEU 575 -1.331 -0.006 2.738 173 HD23 LEU 575 3HD2 LEU 575 -2.396 -0.586 4.019 174 H SER 576 H SER 576 -3.802 1.546 6.316 175 HA SER 576 HA SER 576 -4.746 1.044 9.044 176 HB2 SER 576 1HB SER 576 -5.302 3.445 7.381 177 HB3 SER 576 2HB SER 576 -6.656 2.767 8.284 178 HG SER 576 HG SER 576 -4.296 3.944 9.215 179 H LYS 577 H LYS 577 -6.128 -0.591 9.060 180 HA LYS 577 HA LYS 577 -6.956 -2.007 6.839 181 HB2 LYS 577 1HB LYS 577 -7.020 -2.642 9.346 182 HB3 LYS 577 2HB LYS 577 -8.617 -1.904 9.344 183 HG2 LYS 577 1HG LYS 577 -7.848 -4.077 7.420 184 HG3 LYS 577 2HG LYS 577 -8.512 -4.412 9.019 185 HD2 LYS 577 1HD LYS 577 -10.339 -2.665 8.202 186 HD3 LYS 577 2HD LYS 577 -9.816 -3.243 6.619 187 HE2 LYS 577 1HE LYS 577 -10.470 -5.442 7.079 188 HE3 LYS 577 2HE LYS 577 -10.533 -5.154 8.818 189 HZ1 LYS 577 1HZ LYS 577 -12.517 -3.955 8.611 190 HZ2 LYS 577 2HZ LYS 577 -12.729 -5.297 7.602 191 HZ3 LYS 577 3HZ LYS 577 -12.362 -3.787 6.934 192 H GLY 578 H GLY 578 -8.407 -1.653 5.293 193 HA2 GLY 578 1HA GLY 578 -10.503 -1.063 4.414 194 HA3 GLY 578 2HA GLY 578 -10.842 -0.162 5.886 195 H GLU 579 H GLU 579 -7.847 0.795 5.139 196 HA GLU 579 HA GLU 579 -8.791 3.270 3.977 197 HB2 GLU 579 1HB GLU 579 -6.940 2.887 5.809 198 HB3 GLU 579 2HB GLU 579 -5.893 2.673 4.412 199 HG2 GLU 579 1HG GLU 579 -5.876 4.969 5.297 200 HG3 GLU 579 2HG GLU 579 -6.404 4.877 3.617 201 H LYS 580 H LYS 580 -8.430 4.006 1.945 202 HA LYS 580 HA LYS 580 -7.671 2.066 -0.049 203 HB2 LYS 580 1HB LYS 580 -9.529 3.893 -0.173 204 HB3 LYS 580 2HB LYS 580 -8.208 4.960 -0.635 205 HG2 LYS 580 1HG LYS 580 -9.212 4.181 -2.633 206 HG3 LYS 580 2HG LYS 580 -7.668 3.342 -2.471 207 HD2 LYS 580 1HD LYS 580 -9.304 1.739 -3.152 208 HD3 LYS 580 2HD LYS 580 -8.910 1.419 -1.463 209 HE2 LYS 580 1HE LYS 580 -11.318 1.279 -1.862 210 HE3 LYS 580 2HE LYS 580 -10.923 2.596 -0.757 211 HZ1 LYS 580 1HZ LYS 580 -11.065 3.278 -3.582 212 HZ2 LYS 580 2HZ LYS 580 -11.584 4.151 -2.230 213 HZ3 LYS 580 3HZ LYS 580 -12.533 2.889 -2.837 214 H ILE 581 H ILE 581 -5.611 1.696 -0.511 215 HA ILE 581 HA ILE 581 -3.664 3.871 -0.228 216 HB ILE 581 HB ILE 581 -2.854 1.057 -0.816 217 HG12 ILE 581 1HG1 ILE 581 -4.475 0.780 0.971 218 HG13 ILE 581 2HG1 ILE 581 -2.852 0.578 1.622 219 HG21 ILE 581 1HG2 ILE 581 -0.948 1.695 0.620 220 HG22 ILE 581 2HG2 ILE 581 -1.141 2.754 -0.775 221 HG23 ILE 581 3HG2 ILE 581 -1.666 3.292 0.820 222 HD11 ILE 581 1HD1 ILE 581 -4.906 2.459 2.348 223 HD12 ILE 581 2HD1 ILE 581 -3.414 2.035 3.188 224 HD13 ILE 581 3HD1 ILE 581 -3.399 3.279 1.939 225 H LYS 582 H LYS 582 -2.782 4.817 -1.946 226 HA LYS 582 HA LYS 582 -3.342 3.684 -4.594 227 HB2 LYS 582 1HB LYS 582 -4.128 5.952 -4.289 228 HB3 LYS 582 2HB LYS 582 -2.540 6.471 -3.742 229 HG2 LYS 582 1HG LYS 582 -3.047 7.136 -6.064 230 HG3 LYS 582 2HG LYS 582 -1.609 6.121 -5.926 231 HD2 LYS 582 1HD LYS 582 -2.701 4.252 -6.817 232 HD3 LYS 582 2HD LYS 582 -4.302 4.937 -6.525 233 HE2 LYS 582 1HE LYS 582 -2.406 6.313 -8.381 234 HE3 LYS 582 2HE LYS 582 -3.312 4.907 -8.937 235 HZ1 LYS 582 1HZ LYS 582 -4.226 7.406 -9.063 236 HZ2 LYS 582 2HZ LYS 582 -4.870 6.934 -7.571 237 HZ3 LYS 582 3HZ LYS 582 -5.230 6.047 -8.965 238 H VAL 583 H VAL 583 -1.746 2.337 -5.179 239 HA VAL 583 HA VAL 583 0.964 2.624 -4.387 240 HB VAL 583 HB VAL 583 -0.147 0.994 -6.677 241 HG11 VAL 583 1HG1 VAL 583 2.369 0.478 -5.115 242 HG12 VAL 583 2HG1 VAL 583 1.858 -0.237 -6.645 243 HG13 VAL 583 3HG1 VAL 583 2.353 1.455 -6.583 244 HG21 VAL 583 1HG2 VAL 583 -0.715 0.737 -3.977 245 HG22 VAL 583 2HG2 VAL 583 -0.929 -0.499 -5.216 246 HG23 VAL 583 3HG2 VAL 583 0.555 -0.452 -4.264 247 H LEU 584 H LEU 584 2.595 3.723 -5.281 248 HA LEU 584 HA LEU 584 2.130 4.986 -7.903 249 HB2 LEU 584 1HB LEU 584 3.929 6.012 -5.720 250 HB3 LEU 584 2HB LEU 584 3.460 6.842 -7.201 251 HG LEU 584 HG LEU 584 1.535 6.138 -4.991 252 HD11 LEU 584 1HD1 LEU 584 3.417 7.766 -4.395 253 HD12 LEU 584 2HD1 LEU 584 1.756 8.292 -4.119 254 HD13 LEU 584 3HD1 LEU 584 2.641 8.873 -5.530 255 HD21 LEU 584 1HD2 LEU 584 1.352 7.563 -7.596 256 HD22 LEU 584 2HD2 LEU 584 0.370 8.140 -6.249 257 HD23 LEU 584 3HD2 LEU 584 0.201 6.478 -6.816 258 H SER 585 H SER 585 4.318 3.168 -5.900 259 HA SER 585 HA SER 585 6.060 2.784 -8.236 260 HB2 SER 585 1HB SER 585 6.776 3.987 -5.709 261 HB3 SER 585 2HB SER 585 7.706 2.511 -5.970 262 HG SER 585 HG SER 585 7.999 4.909 -7.128 263 H ILE 586 H ILE 586 7.351 0.794 -8.126 264 HA ILE 586 HA ILE 586 6.394 -1.244 -6.276 265 HB ILE 586 HB ILE 586 5.935 -2.849 -8.095 266 HG12 ILE 586 1HG1 ILE 586 6.101 -0.436 -9.912 267 HG13 ILE 586 2HG1 ILE 586 7.314 -1.709 -9.823 268 HG21 ILE 586 1HG2 ILE 586 3.741 -2.134 -8.507 269 HG22 ILE 586 2HG2 ILE 586 4.186 -1.357 -6.989 270 HG23 ILE 586 3HG2 ILE 586 4.201 -0.431 -8.489 271 HD11 ILE 586 1HD1 ILE 586 4.983 -1.603 -11.410 272 HD12 ILE 586 2HD1 ILE 586 6.192 -2.883 -11.317 273 HD13 ILE 586 3HD1 ILE 586 4.785 -2.921 -10.253 274 H GLY 587 H GLY 587 7.622 -3.320 -6.554 275 HA2 GLY 587 1HA GLY 587 10.367 -2.751 -7.493 276 HA3 GLY 587 2HA GLY 587 10.031 -3.644 -6.019 277 H GLU 588 H GLU 588 10.067 -5.787 -6.151 278 HA GLU 588 HA GLU 588 9.467 -7.055 -8.732 279 HB2 GLU 588 1HB GLU 588 11.344 -8.687 -8.216 280 HB3 GLU 588 2HB GLU 588 11.831 -7.074 -8.716 281 HG2 GLU 588 1HG GLU 588 12.110 -6.501 -6.299 282 HG3 GLU 588 2HG GLU 588 11.839 -8.204 -5.932 283 H GLY 589 H GLY 589 10.095 -7.650 -5.276 284 HA2 GLY 589 1HA GLY 589 8.599 -10.113 -5.298 285 HA3 GLY 589 2HA GLY 589 9.292 -9.324 -3.889 286 H GLY 590 H GLY 590 7.493 -9.535 -2.587 287 HA2 GLY 590 1HA GLY 590 4.926 -8.538 -3.525 288 HA3 GLY 590 2HA GLY 590 5.248 -9.295 -1.972 289 H PHE 591 H PHE 591 7.434 -6.828 -2.851 290 HA PHE 591 HA PHE 591 6.087 -4.986 -0.991 291 HB2 PHE 591 1HB PHE 591 8.761 -5.972 -1.064 292 HB3 PHE 591 2HB PHE 591 8.811 -4.243 -1.395 293 HD1 PHE 591 1HD PHE 591 8.375 -2.652 0.302 294 HD2 PHE 591 2HD PHE 591 7.757 -6.797 1.042 295 HE1 PHE 591 1HE PHE 591 8.140 -2.183 2.707 296 HE2 PHE 591 2HE PHE 591 7.520 -6.335 3.447 297 HZ PHE 591 HZ PHE 591 7.711 -4.027 4.282 298 H TRP 592 H TRP 592 5.837 -2.844 -1.526 299 HA TRP 592 HA TRP 592 6.981 -1.736 -3.917 300 HB2 TRP 592 1HB TRP 592 4.829 -1.289 -5.043 301 HB3 TRP 592 2HB TRP 592 5.164 -3.013 -4.919 302 HD1 TRP 592 HD TRP 592 4.091 -2.204 -1.596 303 HE1 TRP 592 1HE TRP 592 1.574 -2.619 -1.255 304 HE3 TRP 592 3HE TRP 592 2.656 -2.542 -6.490 305 HZ2 TRP 592 2HZ TRP 592 -0.717 -3.034 -2.852 306 HZ3 TRP 592 3HZ TRP 592 0.284 -2.950 -6.999 307 HH2 TRP 592 HH TRP 592 -1.366 -3.192 -5.215 308 H GLU 593 H GLU 593 6.046 0.518 -4.323 309 HA GLU 593 HA GLU 593 5.698 1.808 -1.713 310 HB2 GLU 593 1HB GLU 593 7.256 2.421 -4.027 311 HB3 GLU 593 2HB GLU 593 6.105 3.725 -3.772 312 HG2 GLU 593 1HG GLU 593 7.406 2.877 -1.317 313 HG3 GLU 593 2HG GLU 593 8.542 3.443 -2.539 314 H GLY 594 H GLY 594 4.047 3.262 -1.310 315 HA2 GLY 594 1HA GLY 594 2.129 3.909 -3.382 316 HA3 GLY 594 2HA GLY 594 1.528 2.813 -2.147 317 H GLN 595 H GLN 595 -0.002 4.721 -1.974 318 HA GLN 595 HA GLN 595 1.030 6.527 0.100 319 HB2 GLN 595 1HB GLN 595 0.958 7.910 -1.835 320 HB3 GLN 595 2HB GLN 595 -0.608 7.272 -2.319 321 HG2 GLN 595 1HG GLN 595 -1.749 8.497 -0.723 322 HG3 GLN 595 2HG GLN 595 -0.312 8.731 0.269 323 HE21 GLN 595 1HE2 GLN 595 -0.160 11.957 -0.987 324 HE22 GLN 595 2HE2 GLN 595 -0.365 10.919 0.378 325 H VAL 596 H VAL 596 -0.249 6.743 1.845 326 HA VAL 596 HA VAL 596 -3.009 5.729 1.677 327 HB VAL 596 HB VAL 596 -1.728 3.997 2.754 328 HG11 VAL 596 1HG1 VAL 596 -0.295 6.208 3.871 329 HG12 VAL 596 2HG1 VAL 596 -0.867 5.158 5.169 330 HG13 VAL 596 3HG1 VAL 596 0.125 4.495 3.870 331 HG21 VAL 596 1HG2 VAL 596 -3.974 5.111 3.781 332 HG22 VAL 596 2HG2 VAL 596 -3.236 3.629 4.385 333 HG23 VAL 596 3HG2 VAL 596 -2.904 5.167 5.181 334 H LYS 597 H LYS 597 -4.301 7.408 2.023 335 HA LYS 597 HA LYS 597 -4.988 9.493 2.724 336 HB2 LYS 597 1HB LYS 597 -5.181 9.534 5.270 337 HB3 LYS 597 2HB LYS 597 -5.973 8.205 4.434 338 HG2 LYS 597 1HG LYS 597 -4.951 7.136 6.196 339 HG3 LYS 597 2HG LYS 597 -3.768 6.926 4.903 340 HD2 LYS 597 1HD LYS 597 -2.647 7.589 6.945 341 HD3 LYS 597 2HD LYS 597 -2.532 8.885 5.752 342 HE2 LYS 597 1HE LYS 597 -3.308 10.242 7.341 343 HE3 LYS 597 2HE LYS 597 -4.868 9.452 7.117 344 HZ1 LYS 597 1HZ LYS 597 -2.876 8.274 8.937 345 HZ2 LYS 597 2HZ LYS 597 -4.561 8.130 8.960 346 HZ3 LYS 597 3HZ LYS 597 -3.830 9.570 9.461 347 H GLY 598 H GLY 598 -2.228 9.516 2.002 348 HA2 GLY 598 1HA GLY 598 -1.011 11.652 2.157 349 HA3 GLY 598 2HA GLY 598 -1.236 11.555 3.898 350 H ARG 599 H ARG 599 -0.480 9.112 4.606 351 HA ARG 599 HA ARG 599 2.304 9.204 4.589 352 HB2 ARG 599 1HB ARG 599 0.249 7.258 5.445 353 HB3 ARG 599 2HB ARG 599 1.851 6.595 5.153 354 HG2 ARG 599 1HG ARG 599 2.470 8.766 6.643 355 HG3 ARG 599 2HG ARG 599 0.889 8.342 7.306 356 HD2 ARG 599 1HD ARG 599 1.606 6.236 7.992 357 HD3 ARG 599 2HD ARG 599 2.992 6.248 6.901 358 HE ARG 599 HE ARG 599 2.890 7.286 9.560 359 HH11 ARG 599 1HH1 ARG 599 5.818 8.418 7.075 360 HH12 ARG 599 2HH1 ARG 599 4.385 7.677 6.439 361 HH21 ARG 599 1HH2 ARG 599 6.036 8.748 9.330 362 HH22 ARG 599 2HH2 ARG 599 4.771 8.260 10.406 363 H VAL 600 H VAL 600 3.465 9.116 2.766 364 HA VAL 600 HA VAL 600 2.863 6.973 0.835 365 HB VAL 600 HB VAL 600 4.422 9.497 0.285 366 HG11 VAL 600 1HG1 VAL 600 3.094 7.820 -1.790 367 HG12 VAL 600 2HG1 VAL 600 4.523 8.847 -1.915 368 HG13 VAL 600 3HG1 VAL 600 4.627 7.283 -1.106 369 HG21 VAL 600 1HG2 VAL 600 2.501 10.605 0.174 370 HG22 VAL 600 2HG2 VAL 600 1.965 9.509 -1.099 371 HG23 VAL 600 3HG2 VAL 600 1.601 9.145 0.588 372 H GLY 601 H GLY 601 4.257 5.341 0.784 373 HA2 GLY 601 1HA GLY 601 7.069 5.685 0.732 374 HA3 GLY 601 2HA GLY 601 6.561 5.157 2.331 375 H TRP 602 H TRP 602 7.651 3.184 2.130 376 HA TRP 602 HA TRP 602 6.671 1.357 0.053 377 HB2 TRP 602 1HB TRP 602 9.031 1.068 1.926 378 HB3 TRP 602 2HB TRP 602 8.592 -0.056 0.643 379 HD1 TRP 602 HD TRP 602 9.326 3.766 0.803 380 HE1 TRP 602 1HE TRP 602 10.810 4.361 -1.214 381 HE3 TRP 602 3HE TRP 602 9.676 -0.862 -1.342 382 HZ2 TRP 602 2HZ TRP 602 11.975 3.045 -3.423 383 HZ3 TRP 602 3HZ TRP 602 10.994 -1.108 -3.405 384 HH2 TRP 602 HH TRP 602 12.119 0.806 -4.422 385 H PHE 603 H PHE 603 6.035 -0.794 0.618 386 HA PHE 603 HA PHE 603 5.729 -1.724 3.248 387 HB2 PHE 603 1HB PHE 603 3.292 -1.475 3.531 388 HB3 PHE 603 2HB PHE 603 4.106 0.086 3.483 389 HD1 PHE 603 1HD PHE 603 1.858 -2.193 1.716 390 HD2 PHE 603 2HD PHE 603 3.777 1.606 1.642 391 HE1 PHE 603 1HE PHE 603 0.352 -1.471 -0.092 392 HE2 PHE 603 2HE PHE 603 2.273 2.334 -0.164 393 HZ PHE 603 HZ PHE 603 0.558 0.796 -1.033 394 HA PRO 604 HA PRO 604 4.849 -5.448 1.104 395 HB2 PRO 604 1HB PRO 604 3.334 -6.795 2.909 396 HB3 PRO 604 2HB PRO 604 5.071 -6.536 3.115 397 HG2 PRO 604 1HG PRO 604 2.775 -5.043 4.325 398 HG3 PRO 604 2HG PRO 604 4.281 -5.588 5.086 399 HD2 PRO 604 1HD PRO 604 3.899 -3.031 4.275 400 HD3 PRO 604 2HD PRO 604 5.492 -3.813 4.247 401 H SER 605 H SER 605 3.523 -5.745 -0.563 402 HA SER 605 HA SER 605 1.008 -4.508 -0.813 403 HB2 SER 605 1HB SER 605 1.085 -5.237 -2.962 404 HB3 SER 605 2HB SER 605 2.744 -5.676 -2.557 405 HG SER 605 HG SER 605 2.213 -7.686 -2.795 406 H ASP 606 H ASP 606 1.942 -7.368 0.765 407 HA ASP 606 HA ASP 606 -0.197 -9.079 0.477 408 HB2 ASP 606 1HB ASP 606 1.762 -9.706 1.758 409 HB3 ASP 606 2HB ASP 606 1.408 -8.475 2.968 410 H CYS 607 H CYS 607 0.077 -6.247 2.575 411 HA CYS 607 HA CYS 607 -2.436 -6.615 3.854 412 HB2 CYS 607 1HB CYS 607 -0.974 -5.265 5.068 413 HB3 CYS 607 2HB CYS 607 -0.482 -4.351 3.648 414 HG CYS 607 HG CYS 607 -3.697 -3.894 4.190 415 H LEU 608 H LEU 608 -1.427 -5.159 0.871 416 HA LEU 608 HA LEU 608 -3.933 -3.753 0.485 417 HB2 LEU 608 1HB LEU 608 -1.316 -3.875 -0.846 418 HB3 LEU 608 2HB LEU 608 -2.690 -3.662 -1.927 419 HG LEU 608 HG LEU 608 -1.541 -1.550 -1.203 420 HD11 LEU 608 1HD1 LEU 608 -4.034 -0.795 -0.225 421 HD12 LEU 608 2HD1 LEU 608 -4.358 -2.168 -1.281 422 HD13 LEU 608 3HD1 LEU 608 -3.495 -0.763 -1.904 423 HD21 LEU 608 1HD2 LEU 608 -1.445 -0.874 0.950 424 HD22 LEU 608 2HD2 LEU 608 -1.522 -2.607 1.266 425 HD23 LEU 608 3HD2 LEU 608 -2.984 -1.624 1.370 426 H GLU 609 H GLU 609 -5.402 -4.187 -1.220 427 HA GLU 609 HA GLU 609 -5.165 -6.651 -2.710 428 HB2 GLU 609 1HB GLU 609 -7.090 -6.333 -0.433 429 HB3 GLU 609 2HB GLU 609 -7.525 -7.324 -1.819 430 HG2 GLU 609 1HG GLU 609 -5.183 -8.417 -1.363 431 HG3 GLU 609 2HG GLU 609 -5.446 -7.770 0.256 432 H GLU 610 H GLU 610 -6.634 -6.802 -4.437 433 HA GLU 610 HA GLU 610 -7.397 -4.388 -5.613 434 HB2 GLU 610 1HB GLU 610 -7.913 -7.264 -6.170 435 HB3 GLU 610 2HB GLU 610 -8.948 -6.090 -6.968 436 HG2 GLU 610 1HG GLU 610 -6.736 -4.950 -7.654 437 HG3 GLU 610 2HG GLU 610 -6.001 -6.498 -7.244 438 H VAL 611 H VAL 611 -9.298 -3.275 -5.759 439 HA VAL 611 HA VAL 611 -11.152 -3.561 -3.614 440 HB VAL 611 HB VAL 611 -11.313 -1.823 -6.079 441 HG11 VAL 611 1HG1 VAL 611 -12.879 -0.478 -4.625 442 HG12 VAL 611 2HG1 VAL 611 -13.509 -2.018 -5.212 443 HG13 VAL 611 3HG1 VAL 611 -12.939 -1.872 -3.549 444 HG21 VAL 611 1HG2 VAL 611 -9.504 -1.682 -4.018 445 HG22 VAL 611 2HG2 VAL 611 -9.971 -0.344 -5.070 446 HG23 VAL 611 3HG2 VAL 611 -10.766 -0.558 -3.510 447 H ALA 612 H ALA 612 -12.766 -4.965 -3.524 448 HA ALA 612 HA ALA 612 -14.119 -5.720 -6.033 449 HB1 ALA 612 1HB ALA 612 -12.641 -7.485 -4.857 450 HB2 ALA 612 2HB ALA 612 -13.966 -7.582 -3.695 451 HB3 ALA 612 3HB ALA 612 -14.257 -7.945 -5.397 452 H ASN 613 H ASN 613 -14.779 -3.585 -4.144 453 HA ASN 613 HA ASN 613 -17.235 -4.589 -2.902 454 HB2 ASN 613 1HB ASN 613 -15.770 -3.257 -1.467 455 HB3 ASN 613 2HB ASN 613 -15.835 -1.922 -2.614 456 HD21 ASN 613 1HD2 ASN 613 -18.313 -0.626 -0.540 457 HD22 ASN 613 2HD2 ASN 613 -16.680 -0.515 -1.095 Start of MODEL 24 1 H1 MET 553 H MET 553 6.295 1.750 -15.872 2 HA MET 553 HA MET 553 5.829 -1.083 -16.014 3 HB2 MET 553 1HB MET 553 7.454 0.702 -14.230 4 HB3 MET 553 2HB MET 553 7.201 -0.986 -13.807 5 HG2 MET 553 1HG MET 553 9.184 -1.103 -14.937 6 HG3 MET 553 2HG MET 553 8.036 -1.429 -16.231 7 HE1 MET 553 1HE MET 553 11.410 0.834 -16.158 8 HE2 MET 553 2HE MET 553 10.864 -0.832 -16.356 9 HE3 MET 553 3HE MET 553 10.997 0.227 -17.761 10 H VAL 554 H VAL 554 5.087 1.479 -13.660 11 HA VAL 554 HA VAL 554 3.772 -0.047 -11.759 12 HB VAL 554 HB VAL 554 2.438 2.086 -11.301 13 HG11 VAL 554 1HG1 VAL 554 4.678 1.354 -10.295 14 HG12 VAL 554 2HG1 VAL 554 5.403 2.547 -11.374 15 HG13 VAL 554 3HG1 VAL 554 4.233 3.055 -10.156 16 HG21 VAL 554 1HG2 VAL 554 3.021 4.080 -12.432 17 HG22 VAL 554 2HG2 VAL 554 4.356 3.297 -13.280 18 HG23 VAL 554 3HG2 VAL 554 2.690 2.887 -13.689 19 HA PRO 555 HA PRO 555 -0.048 -1.339 -13.492 20 HB2 PRO 555 1HB PRO 555 -1.701 -1.171 -11.344 21 HB3 PRO 555 2HB PRO 555 -0.455 -2.416 -11.503 22 HG2 PRO 555 1HG PRO 555 -0.388 0.144 -9.953 23 HG3 PRO 555 2HG PRO 555 0.176 -1.469 -9.475 24 HD2 PRO 555 1HD PRO 555 1.860 0.464 -10.345 25 HD3 PRO 555 2HD PRO 555 2.152 -1.261 -10.642 26 H GLY 556 H GLY 556 -0.477 1.490 -11.353 27 HA2 GLY 556 1HA GLY 556 -1.385 3.565 -11.921 28 HA3 GLY 556 2HA GLY 556 -1.822 2.916 -13.494 29 H ARG 557 H ARG 557 -2.634 1.681 -10.272 30 HA ARG 557 HA ARG 557 -5.415 2.484 -10.642 31 HB2 ARG 557 1HB ARG 557 -6.019 0.055 -9.896 32 HB3 ARG 557 2HB ARG 557 -5.688 0.393 -11.589 33 HG2 ARG 557 1HG ARG 557 -3.610 -0.642 -11.520 34 HG3 ARG 557 2HG ARG 557 -3.513 -0.543 -9.762 35 HD2 ARG 557 1HD ARG 557 -4.036 -2.756 -10.018 36 HD3 ARG 557 2HD ARG 557 -5.653 -2.065 -9.887 37 HE ARG 557 HE ARG 557 -5.081 -2.058 -12.569 38 HH11 ARG 557 1HH1 ARG 557 -5.724 -5.736 -11.125 39 HH12 ARG 557 2HH1 ARG 557 -5.248 -4.459 -10.055 40 HH21 ARG 557 1HH2 ARG 557 -5.984 -5.320 -13.364 41 HH22 ARG 557 2HH2 ARG 557 -5.706 -3.730 -13.989 42 H SER 558 H SER 558 -6.720 1.667 -8.633 43 HA SER 558 HA SER 558 -5.100 2.334 -6.272 44 HB2 SER 558 1HB SER 558 -8.110 2.475 -6.484 45 HB3 SER 558 2HB SER 558 -7.078 3.209 -5.258 46 HG SER 558 HG SER 558 -6.302 4.632 -6.797 47 H PHE 559 H PHE 559 -5.678 1.287 -4.234 48 HA PHE 559 HA PHE 559 -7.018 -1.298 -4.483 49 HB2 PHE 559 1HB PHE 559 -4.137 -0.895 -3.731 50 HB3 PHE 559 2HB PHE 559 -5.040 -2.269 -3.104 51 HD1 PHE 559 1HD PHE 559 -5.447 -4.166 -4.428 52 HD2 PHE 559 2HD PHE 559 -3.878 -0.632 -6.205 53 HE1 PHE 559 1HE PHE 559 -4.994 -5.414 -6.500 54 HE2 PHE 559 2HE PHE 559 -3.423 -1.872 -8.281 55 HZ PHE 559 HZ PHE 559 -3.981 -4.266 -8.430 56 H MET 560 H MET 560 -7.462 -2.299 -2.378 57 HA MET 560 HA MET 560 -7.734 -0.257 -0.269 58 HB2 MET 560 1HB MET 560 -9.886 -0.979 -1.192 59 HB3 MET 560 2HB MET 560 -9.490 -2.654 -0.836 60 HG2 MET 560 1HG MET 560 -9.179 -1.480 1.602 61 HG3 MET 560 2HG MET 560 -10.502 -0.543 0.911 62 HE1 MET 560 1HE MET 560 -9.030 -3.595 2.093 63 HE2 MET 560 2HE MET 560 -10.337 -3.881 3.242 64 HE3 MET 560 3HE MET 560 -10.164 -4.920 1.828 65 H ALA 561 H ALA 561 -6.914 -0.663 1.701 66 HA ALA 561 HA ALA 561 -5.250 -2.986 2.048 67 HB1 ALA 561 1HB ALA 561 -5.381 -1.621 4.483 68 HB2 ALA 561 2HB ALA 561 -4.125 -1.496 3.251 69 HB3 ALA 561 3HB ALA 561 -5.486 -0.376 3.236 70 H VAL 562 H VAL 562 -5.774 -4.830 3.024 71 HA VAL 562 HA VAL 562 -8.403 -5.077 4.254 72 HB VAL 562 HB VAL 562 -7.873 -7.520 4.307 73 HG11 VAL 562 1HG1 VAL 562 -9.160 -6.908 2.480 74 HG12 VAL 562 2HG1 VAL 562 -7.868 -5.945 1.763 75 HG13 VAL 562 3HG1 VAL 562 -7.781 -7.706 1.725 76 HG21 VAL 562 1HG2 VAL 562 -5.933 -8.389 3.255 77 HG22 VAL 562 2HG2 VAL 562 -5.464 -6.800 2.651 78 HG23 VAL 562 3HG2 VAL 562 -5.378 -7.147 4.378 79 H LYS 563 H LYS 563 -5.220 -4.545 5.223 80 HA LYS 563 HA LYS 563 -5.946 -4.935 8.006 81 HB2 LYS 563 1HB LYS 563 -3.845 -6.214 8.472 82 HB3 LYS 563 2HB LYS 563 -5.042 -7.106 7.543 83 HG2 LYS 563 1HG LYS 563 -3.790 -6.518 5.479 84 HG3 LYS 563 2HG LYS 563 -2.543 -5.795 6.499 85 HD2 LYS 563 1HD LYS 563 -1.896 -8.045 5.887 86 HD3 LYS 563 2HD LYS 563 -2.239 -7.975 7.617 87 HE2 LYS 563 1HE LYS 563 -4.209 -9.169 7.407 88 HE3 LYS 563 2HE LYS 563 -4.397 -8.755 5.703 89 HZ1 LYS 563 1HZ LYS 563 -3.320 -10.587 5.119 90 HZ2 LYS 563 2HZ LYS 563 -3.343 -11.080 6.737 91 HZ3 LYS 563 3HZ LYS 563 -2.011 -10.233 6.131 92 H SER 564 H SER 564 -3.868 -4.337 9.389 93 HA SER 564 HA SER 564 -2.961 -1.764 8.323 94 HB2 SER 564 1HB SER 564 -2.840 -0.983 10.494 95 HB3 SER 564 2HB SER 564 -4.132 -2.173 10.659 96 HG SER 564 HG SER 564 -2.880 -3.357 11.873 97 H TYR 565 H TYR 565 -0.724 -1.082 9.095 98 HA TYR 565 HA TYR 565 1.187 -3.249 9.363 99 HB2 TYR 565 1HB TYR 565 0.878 -3.071 6.926 100 HB3 TYR 565 2HB TYR 565 1.286 -1.360 7.002 101 HD1 TYR 565 1HD TYR 565 3.489 -0.698 6.687 102 HD2 TYR 565 2HD TYR 565 2.685 -4.717 7.824 103 HE1 TYR 565 1HE TYR 565 5.869 -1.247 6.400 104 HE2 TYR 565 2HE TYR 565 5.063 -5.279 7.542 105 HH TYR 565 HH TYR 565 7.264 -4.044 7.587 106 H GLN 566 H GLN 566 3.080 -2.628 10.328 107 HA GLN 566 HA GLN 566 3.224 0.191 11.157 108 HB2 GLN 566 1HB GLN 566 2.949 -1.313 13.032 109 HB3 GLN 566 2HB GLN 566 4.294 -2.304 12.483 110 HG2 GLN 566 1HG GLN 566 5.841 -0.486 12.908 111 HG3 GLN 566 2HG GLN 566 4.505 0.556 13.397 112 HE21 GLN 566 1HE2 GLN 566 5.623 -0.436 16.601 113 HE22 GLN 566 2HE2 GLN 566 5.810 0.751 15.360 114 H ALA 567 H ALA 567 4.626 1.298 9.963 115 HA ALA 567 HA ALA 567 6.608 0.317 8.319 116 HB1 ALA 567 1HB ALA 567 6.246 2.501 7.850 117 HB2 ALA 567 2HB ALA 567 6.033 2.946 9.544 118 HB3 ALA 567 3HB ALA 567 7.655 2.711 8.891 119 H GLN 568 H GLN 568 8.608 -0.459 8.581 120 HA GLN 568 HA GLN 568 9.807 -0.284 11.269 121 HB2 GLN 568 1HB GLN 568 10.306 -2.478 9.262 122 HB3 GLN 568 2HB GLN 568 10.768 -2.448 10.958 123 HG2 GLN 568 1HG GLN 568 8.087 -2.167 11.159 124 HG3 GLN 568 2HG GLN 568 8.210 -3.151 9.703 125 HE21 GLN 568 1HE2 GLN 568 7.995 -5.360 12.667 126 HE22 GLN 568 2HE2 GLN 568 7.021 -4.099 11.997 127 H ALA 569 H ALA 569 10.429 -0.272 7.797 128 HA ALA 569 HA ALA 569 13.234 0.228 8.059 129 HB1 ALA 569 1HB ALA 569 11.868 -0.771 6.060 130 HB2 ALA 569 2HB ALA 569 11.732 0.922 5.580 131 HB3 ALA 569 3HB ALA 569 13.323 0.183 5.765 132 H GLU 570 H GLU 570 13.802 2.267 6.353 133 HA GLU 570 HA GLU 570 13.078 4.578 7.964 134 HB2 GLU 570 1HB GLU 570 14.999 5.577 7.206 135 HB3 GLU 570 2HB GLU 570 15.455 3.889 7.040 136 HG2 GLU 570 1HG GLU 570 14.741 4.006 4.654 137 HG3 GLU 570 2HG GLU 570 14.511 5.741 4.869 138 H GLY 571 H GLY 571 12.581 3.293 4.749 139 HA2 GLY 571 1HA GLY 571 11.136 5.743 3.985 140 HA3 GLY 571 2HA GLY 571 11.735 4.527 2.867 141 H GLU 572 H GLU 572 10.367 3.049 5.539 142 HA GLU 572 HA GLU 572 8.063 2.240 3.980 143 HB2 GLU 572 1HB GLU 572 9.532 1.219 6.299 144 HB3 GLU 572 2HB GLU 572 7.789 1.043 6.443 145 HG2 GLU 572 1HG GLU 572 8.483 -0.944 5.463 146 HG3 GLU 572 2HG GLU 572 7.877 0.010 4.111 147 H ILE 573 H ILE 573 5.894 2.377 4.714 148 HA ILE 573 HA ILE 573 5.422 4.516 6.688 149 HB ILE 573 HB ILE 573 3.365 5.083 5.366 150 HG12 ILE 573 1HG1 ILE 573 4.567 3.858 2.946 151 HG13 ILE 573 2HG1 ILE 573 3.769 2.757 4.064 152 HG21 ILE 573 1HG2 ILE 573 4.679 6.252 3.529 153 HG22 ILE 573 2HG2 ILE 573 5.172 6.576 5.191 154 HG23 ILE 573 3HG2 ILE 573 6.106 5.458 4.196 155 HD11 ILE 573 1HD1 ILE 573 2.598 4.343 2.081 156 HD12 ILE 573 2HD1 ILE 573 1.787 3.349 3.292 157 HD13 ILE 573 3HD1 ILE 573 2.117 5.050 3.623 158 H SER 574 H SER 574 2.995 4.481 7.362 159 HA SER 574 HA SER 574 2.465 1.778 8.316 160 HB2 SER 574 1HB SER 574 1.280 2.731 10.065 161 HB3 SER 574 2HB SER 574 2.462 3.997 9.730 162 HG SER 574 HG SER 574 -0.150 4.219 9.712 163 H LEU 575 H LEU 575 0.223 0.979 8.354 164 HA LEU 575 HA LEU 575 -1.263 1.831 5.956 165 HB2 LEU 575 1HB LEU 575 -0.594 -0.863 7.026 166 HB3 LEU 575 2HB LEU 575 -2.131 -0.651 6.192 167 HG LEU 575 HG LEU 575 0.084 -1.433 4.945 168 HD11 LEU 575 1HD1 LEU 575 -2.099 0.362 3.922 169 HD12 LEU 575 2HD1 LEU 575 -1.994 -1.395 3.830 170 HD13 LEU 575 3HD1 LEU 575 -0.907 -0.397 2.865 171 HD21 LEU 575 1HD2 LEU 575 1.285 0.650 5.587 172 HD22 LEU 575 2HD2 LEU 575 0.142 1.561 4.599 173 HD23 LEU 575 3HD2 LEU 575 1.208 0.376 3.846 174 H SER 576 H SER 576 -3.624 0.975 6.082 175 HA SER 576 HA SER 576 -4.724 1.030 8.772 176 HB2 SER 576 1HB SER 576 -4.947 3.274 6.842 177 HB3 SER 576 2HB SER 576 -6.419 2.826 7.701 178 HG SER 576 HG SER 576 -3.966 3.259 9.039 179 H LYS 577 H LYS 577 -6.197 -0.517 8.869 180 HA LYS 577 HA LYS 577 -7.111 -1.996 6.699 181 HB2 LYS 577 1HB LYS 577 -7.187 -2.413 9.313 182 HB3 LYS 577 2HB LYS 577 -8.819 -1.783 9.137 183 HG2 LYS 577 1HG LYS 577 -7.958 -3.919 7.269 184 HG3 LYS 577 2HG LYS 577 -8.277 -4.362 8.949 185 HD2 LYS 577 1HD LYS 577 -10.433 -2.803 8.389 186 HD3 LYS 577 2HD LYS 577 -10.133 -3.551 6.819 187 HE2 LYS 577 1HE LYS 577 -11.545 -5.082 7.808 188 HE3 LYS 577 2HE LYS 577 -9.960 -5.749 8.202 189 HZ1 LYS 577 1HZ LYS 577 -11.274 -3.898 10.076 190 HZ2 LYS 577 2HZ LYS 577 -10.139 -5.113 10.391 191 HZ3 LYS 577 3HZ LYS 577 -11.743 -5.522 10.040 192 H GLY 578 H GLY 578 -8.529 -1.560 5.147 193 HA2 GLY 578 1HA GLY 578 -10.601 -0.888 4.272 194 HA3 GLY 578 2HA GLY 578 -10.900 0.028 5.742 195 H GLU 579 H GLU 579 -7.855 0.827 4.929 196 HA GLU 579 HA GLU 579 -8.702 3.354 3.801 197 HB2 GLU 579 1HB GLU 579 -6.764 2.754 5.563 198 HB3 GLU 579 2HB GLU 579 -5.817 2.723 4.082 199 HG2 GLU 579 1HG GLU 579 -5.767 4.905 5.202 200 HG3 GLU 579 2HG GLU 579 -6.444 4.991 3.577 201 H LYS 580 H LYS 580 -8.445 4.027 1.748 202 HA LYS 580 HA LYS 580 -7.772 2.070 -0.252 203 HB2 LYS 580 1HB LYS 580 -9.552 4.031 -0.282 204 HB3 LYS 580 2HB LYS 580 -8.196 4.947 -0.928 205 HG2 LYS 580 1HG LYS 580 -9.427 4.127 -2.774 206 HG3 LYS 580 2HG LYS 580 -7.947 3.170 -2.677 207 HD2 LYS 580 1HD LYS 580 -9.813 1.707 -3.114 208 HD3 LYS 580 2HD LYS 580 -9.213 1.409 -1.483 209 HE2 LYS 580 1HE LYS 580 -11.090 2.222 -0.499 210 HE3 LYS 580 2HE LYS 580 -11.365 3.419 -1.763 211 HZ1 LYS 580 1HZ LYS 580 -12.251 0.643 -1.605 212 HZ2 LYS 580 2HZ LYS 580 -11.837 1.226 -3.137 213 HZ3 LYS 580 3HZ LYS 580 -13.044 1.999 -2.238 214 H ILE 581 H ILE 581 -5.662 1.608 -0.461 215 HA ILE 581 HA ILE 581 -3.686 3.753 -0.365 216 HB ILE 581 HB ILE 581 -2.961 0.898 -0.871 217 HG12 ILE 581 1HG1 ILE 581 -4.550 0.728 0.953 218 HG13 ILE 581 2HG1 ILE 581 -2.923 0.518 1.588 219 HG21 ILE 581 1HG2 ILE 581 -1.693 3.310 0.347 220 HG22 ILE 581 2HG2 ILE 581 -1.120 1.702 0.789 221 HG23 ILE 581 3HG2 ILE 581 -1.074 2.222 -0.896 222 HD11 ILE 581 1HD1 ILE 581 -3.380 2.078 3.083 223 HD12 ILE 581 2HD1 ILE 581 -3.465 3.255 1.772 224 HD13 ILE 581 3HD1 ILE 581 -4.927 2.428 2.311 225 H LYS 582 H LYS 582 -2.548 4.471 -2.084 226 HA LYS 582 HA LYS 582 -3.167 3.262 -4.699 227 HB2 LYS 582 1HB LYS 582 -4.100 5.465 -4.605 228 HB3 LYS 582 2HB LYS 582 -2.613 6.132 -3.947 229 HG2 LYS 582 1HG LYS 582 -2.890 6.714 -6.293 230 HG3 LYS 582 2HG LYS 582 -1.467 5.698 -6.048 231 HD2 LYS 582 1HD LYS 582 -2.428 3.872 -7.077 232 HD3 LYS 582 2HD LYS 582 -4.073 4.418 -6.743 233 HE2 LYS 582 1HE LYS 582 -2.172 5.660 -8.731 234 HE3 LYS 582 2HE LYS 582 -3.517 4.591 -9.125 235 HZ1 LYS 582 1HZ LYS 582 -3.530 7.394 -8.557 236 HZ2 LYS 582 2HZ LYS 582 -4.648 6.551 -7.607 237 HZ3 LYS 582 3HZ LYS 582 -4.717 6.439 -9.293 238 H VAL 583 H VAL 583 -1.500 2.071 -5.354 239 HA VAL 583 HA VAL 583 1.171 2.449 -4.466 240 HB VAL 583 HB VAL 583 0.359 0.247 -5.147 241 HG11 VAL 583 1HG1 VAL 583 -0.170 -0.324 -7.386 242 HG12 VAL 583 2HG1 VAL 583 -1.078 1.143 -7.015 243 HG13 VAL 583 3HG1 VAL 583 0.390 1.235 -7.988 244 HG21 VAL 583 1HG2 VAL 583 2.584 0.015 -5.324 245 HG22 VAL 583 2HG2 VAL 583 2.282 0.003 -7.062 246 HG23 VAL 583 3HG2 VAL 583 2.764 1.499 -6.260 247 H LEU 584 H LEU 584 2.651 3.828 -5.175 248 HA LEU 584 HA LEU 584 2.235 5.115 -7.787 249 HB2 LEU 584 1HB LEU 584 3.998 6.099 -5.558 250 HB3 LEU 584 2HB LEU 584 3.451 6.989 -6.978 251 HG LEU 584 HG LEU 584 1.720 6.109 -4.667 252 HD11 LEU 584 1HD1 LEU 584 1.603 8.462 -4.114 253 HD12 LEU 584 2HD1 LEU 584 2.655 8.861 -5.470 254 HD13 LEU 584 3HD1 LEU 584 3.283 7.926 -4.113 255 HD21 LEU 584 1HD2 LEU 584 0.525 6.137 -6.811 256 HD22 LEU 584 2HD2 LEU 584 1.051 7.800 -7.076 257 HD23 LEU 584 3HD2 LEU 584 -0.026 7.417 -5.731 258 H SER 585 H SER 585 4.353 3.115 -5.955 259 HA SER 585 HA SER 585 6.127 2.896 -8.265 260 HB2 SER 585 1HB SER 585 6.855 4.185 -5.790 261 HB3 SER 585 2HB SER 585 7.839 2.742 -6.031 262 HG SER 585 HG SER 585 8.036 3.684 -8.291 263 H ILE 586 H ILE 586 7.696 1.025 -7.940 264 HA ILE 586 HA ILE 586 6.708 -1.055 -6.158 265 HB ILE 586 HB ILE 586 6.691 -2.708 -8.073 266 HG12 ILE 586 1HG1 ILE 586 5.959 -0.660 -10.020 267 HG13 ILE 586 2HG1 ILE 586 7.642 -0.539 -9.518 268 HG21 ILE 586 1HG2 ILE 586 4.649 -1.942 -6.995 269 HG22 ILE 586 2HG2 ILE 586 4.597 -0.539 -8.062 270 HG23 ILE 586 3HG2 ILE 586 4.394 -2.158 -8.728 271 HD11 ILE 586 1HD1 ILE 586 6.705 -3.245 -10.180 272 HD12 ILE 586 2HD1 ILE 586 6.780 -2.103 -11.520 273 HD13 ILE 586 3HD1 ILE 586 8.224 -2.436 -10.565 274 H GLY 587 H GLY 587 8.096 -3.101 -6.438 275 HA2 GLY 587 1HA GLY 587 10.816 -2.506 -7.339 276 HA3 GLY 587 2HA GLY 587 10.595 -2.875 -5.635 277 H GLU 588 H GLU 588 10.187 -4.973 -4.991 278 HA GLU 588 HA GLU 588 9.938 -7.031 -7.045 279 HB2 GLU 588 1HB GLU 588 12.420 -6.492 -6.306 280 HB3 GLU 588 2HB GLU 588 11.987 -7.484 -4.921 281 HG2 GLU 588 1HG GLU 588 11.370 -8.564 -7.606 282 HG3 GLU 588 2HG GLU 588 13.066 -8.487 -7.129 283 H GLY 589 H GLY 589 9.459 -9.180 -6.111 284 HA2 GLY 589 1HA GLY 589 8.132 -10.506 -4.788 285 HA3 GLY 589 2HA GLY 589 8.868 -9.659 -3.435 286 H GLY 590 H GLY 590 6.999 -9.606 -2.199 287 HA2 GLY 590 1HA GLY 590 4.624 -8.332 -3.328 288 HA3 GLY 590 2HA GLY 590 4.738 -9.116 -1.759 289 H PHE 591 H PHE 591 6.892 -6.635 -3.054 290 HA PHE 591 HA PHE 591 5.888 -4.790 -0.990 291 HB2 PHE 591 1HB PHE 591 8.457 -5.951 -1.143 292 HB3 PHE 591 2HB PHE 591 8.646 -4.266 -1.615 293 HD1 PHE 591 1HD PHE 591 7.665 -6.542 1.083 294 HD2 PHE 591 2HD PHE 591 8.308 -2.488 -0.042 295 HE1 PHE 591 1HE PHE 591 7.616 -5.880 3.452 296 HE2 PHE 591 2HE PHE 591 8.260 -1.820 2.325 297 HZ PHE 591 HZ PHE 591 7.915 -3.517 4.076 298 H TRP 592 H TRP 592 5.649 -2.671 -1.557 299 HA TRP 592 HA TRP 592 6.765 -1.588 -3.964 300 HB2 TRP 592 1HB TRP 592 4.606 -1.129 -5.079 301 HB3 TRP 592 2HB TRP 592 4.941 -2.854 -4.961 302 HD1 TRP 592 HD TRP 592 3.881 -2.019 -1.631 303 HE1 TRP 592 1HE TRP 592 1.368 -2.452 -1.278 304 HE3 TRP 592 3HE TRP 592 2.435 -2.432 -6.517 305 HZ2 TRP 592 2HZ TRP 592 -0.924 -2.909 -2.862 306 HZ3 TRP 592 3HZ TRP 592 0.064 -2.867 -7.013 307 HH2 TRP 592 HH TRP 592 -1.579 -3.102 -5.221 308 H GLU 593 H GLU 593 5.827 0.669 -4.378 309 HA GLU 593 HA GLU 593 5.506 1.972 -1.770 310 HB2 GLU 593 1HB GLU 593 7.036 2.573 -4.109 311 HB3 GLU 593 2HB GLU 593 5.896 3.882 -3.835 312 HG2 GLU 593 1HG GLU 593 7.227 3.027 -1.399 313 HG3 GLU 593 2HG GLU 593 8.350 3.585 -2.638 314 H GLY 594 H GLY 594 3.830 3.360 -1.326 315 HA2 GLY 594 1HA GLY 594 1.907 4.042 -3.390 316 HA3 GLY 594 2HA GLY 594 1.316 2.929 -2.165 317 H GLN 595 H GLN 595 -0.216 4.842 -1.978 318 HA GLN 595 HA GLN 595 0.817 6.624 0.116 319 HB2 GLN 595 1HB GLN 595 0.727 8.051 -1.769 320 HB3 GLN 595 2HB GLN 595 -0.805 7.376 -2.306 321 HG2 GLN 595 1HG GLN 595 -2.020 8.526 -0.696 322 HG3 GLN 595 2HG GLN 595 -0.600 8.818 0.305 323 HE21 GLN 595 1HE2 GLN 595 -0.881 11.043 -3.121 324 HE22 GLN 595 2HE2 GLN 595 -1.241 9.352 -3.139 325 H VAL 596 H VAL 596 -0.473 6.870 1.858 326 HA VAL 596 HA VAL 596 -3.226 5.847 1.701 327 HB VAL 596 HB VAL 596 -1.920 4.082 2.721 328 HG11 VAL 596 1HG1 VAL 596 -0.471 6.235 3.856 329 HG12 VAL 596 2HG1 VAL 596 -1.124 5.271 5.180 330 HG13 VAL 596 3HG1 VAL 596 -0.120 4.510 3.947 331 HG21 VAL 596 1HG2 VAL 596 -3.454 3.648 4.305 332 HG22 VAL 596 2HG2 VAL 596 -3.131 5.148 5.174 333 HG23 VAL 596 3HG2 VAL 596 -4.188 5.157 3.761 334 H LYS 597 H LYS 597 -4.538 7.476 2.163 335 HA LYS 597 HA LYS 597 -5.223 9.541 2.923 336 HB2 LYS 597 1HB LYS 597 -5.301 9.548 5.474 337 HB3 LYS 597 2HB LYS 597 -6.107 8.215 4.658 338 HG2 LYS 597 1HG LYS 597 -4.989 7.143 6.359 339 HG3 LYS 597 2HG LYS 597 -3.862 6.968 5.010 340 HD2 LYS 597 1HD LYS 597 -2.666 7.625 7.014 341 HD3 LYS 597 2HD LYS 597 -2.617 8.931 5.828 342 HE2 LYS 597 1HE LYS 597 -3.356 10.272 7.446 343 HE3 LYS 597 2HE LYS 597 -4.906 9.443 7.305 344 HZ1 LYS 597 1HZ LYS 597 -2.935 8.104 8.951 345 HZ2 LYS 597 2HZ LYS 597 -4.587 8.347 9.220 346 HZ3 LYS 597 3HZ LYS 597 -3.483 9.584 9.560 347 H GLY 598 H GLY 598 -2.499 9.613 2.073 348 HA2 GLY 598 1HA GLY 598 -1.283 11.741 2.183 349 HA3 GLY 598 2HA GLY 598 -1.466 11.667 3.929 350 H ARG 599 H ARG 599 -0.692 9.198 4.611 351 HA ARG 599 HA ARG 599 2.093 9.326 4.568 352 HB2 ARG 599 1HB ARG 599 0.076 7.315 5.398 353 HB3 ARG 599 2HB ARG 599 1.712 6.724 5.137 354 HG2 ARG 599 1HG ARG 599 2.268 8.859 6.645 355 HG3 ARG 599 2HG ARG 599 0.647 8.497 7.242 356 HD2 ARG 599 1HD ARG 599 1.273 6.325 7.917 357 HD3 ARG 599 2HD ARG 599 2.780 6.395 7.004 358 HE ARG 599 HE ARG 599 2.321 7.386 9.647 359 HH11 ARG 599 1HH1 ARG 599 5.531 8.572 7.571 360 HH12 ARG 599 2HH1 ARG 599 4.201 7.825 6.750 361 HH21 ARG 599 1HH2 ARG 599 5.454 8.880 9.840 362 HH22 ARG 599 2HH2 ARG 599 4.065 8.369 10.739 363 H VAL 600 H VAL 600 3.231 9.270 2.729 364 HA VAL 600 HA VAL 600 2.647 7.121 0.798 365 HB VAL 600 HB VAL 600 4.128 9.684 0.212 366 HG11 VAL 600 1HG1 VAL 600 3.694 9.076 -2.126 367 HG12 VAL 600 2HG1 VAL 600 4.642 7.842 -1.292 368 HG13 VAL 600 3HG1 VAL 600 2.923 7.584 -1.588 369 HG21 VAL 600 1HG2 VAL 600 1.650 9.690 -1.103 370 HG22 VAL 600 2HG2 VAL 600 1.309 9.252 0.572 371 HG23 VAL 600 3HG2 VAL 600 2.174 10.747 0.209 372 H GLY 601 H GLY 601 4.084 5.531 0.734 373 HA2 GLY 601 1HA GLY 601 6.881 5.953 0.610 374 HA3 GLY 601 2HA GLY 601 6.431 5.431 2.226 375 H TRP 602 H TRP 602 7.571 3.488 2.022 376 HA TRP 602 HA TRP 602 6.609 1.611 -0.015 377 HB2 TRP 602 1HB TRP 602 8.992 1.409 1.839 378 HB3 TRP 602 2HB TRP 602 8.568 0.248 0.585 379 HD1 TRP 602 HD TRP 602 9.203 4.090 0.654 380 HE1 TRP 602 1HE TRP 602 10.653 4.679 -1.390 381 HE3 TRP 602 3HE TRP 602 9.656 -0.574 -1.391 382 HZ2 TRP 602 2HZ TRP 602 11.833 3.344 -3.579 383 HZ3 TRP 602 3HZ TRP 602 10.962 -0.832 -3.460 384 HH2 TRP 602 HH TRP 602 12.025 1.086 -4.531 385 H PHE 603 H PHE 603 5.952 -0.509 0.557 386 HA PHE 603 HA PHE 603 5.725 -1.457 3.189 387 HB2 PHE 603 1HB PHE 603 3.353 -1.170 3.624 388 HB3 PHE 603 2HB PHE 603 4.101 0.406 3.390 389 HD1 PHE 603 1HD PHE 603 1.833 -2.087 1.968 390 HD2 PHE 603 2HD PHE 603 3.569 1.768 1.481 391 HE1 PHE 603 1HE PHE 603 0.173 -1.564 0.229 392 HE2 PHE 603 2HE PHE 603 1.913 2.297 -0.260 393 HZ PHE 603 HZ PHE 603 0.211 0.631 -0.887 394 HA PRO 604 HA PRO 604 4.820 -5.160 1.017 395 HB2 PRO 604 1HB PRO 604 3.446 -6.568 2.889 396 HB3 PRO 604 2HB PRO 604 5.187 -6.275 2.992 397 HG2 PRO 604 1HG PRO 604 2.942 -4.847 4.365 398 HG3 PRO 604 2HG PRO 604 4.502 -5.373 5.023 399 HD2 PRO 604 1HD PRO 604 4.021 -2.813 4.280 400 HD3 PRO 604 2HD PRO 604 5.625 -3.562 4.143 401 H SER 605 H SER 605 3.371 -5.655 -0.501 402 HA SER 605 HA SER 605 0.811 -4.413 -0.575 403 HB2 SER 605 1HB SER 605 0.792 -5.040 -2.752 404 HB3 SER 605 2HB SER 605 2.481 -5.463 -2.466 405 HG SER 605 HG SER 605 1.895 -7.407 -2.975 406 H ASP 606 H ASP 606 1.920 -7.130 1.022 407 HA ASP 606 HA ASP 606 -0.134 -8.991 0.749 408 HB2 ASP 606 1HB ASP 606 2.102 -9.198 2.010 409 HB3 ASP 606 2HB ASP 606 1.253 -8.471 3.370 410 H CYS 607 H CYS 607 0.005 -6.014 2.564 411 HA CYS 607 HA CYS 607 -2.440 -6.584 4.012 412 HB2 CYS 607 1HB CYS 607 -0.940 -3.964 3.871 413 HB3 CYS 607 2HB CYS 607 -2.108 -4.463 5.089 414 HG CYS 607 HG CYS 607 -0.340 -5.330 6.722 415 H LEU 608 H LEU 608 -1.726 -5.617 0.935 416 HA LEU 608 HA LEU 608 -4.103 -3.907 0.699 417 HB2 LEU 608 1HB LEU 608 -1.535 -4.078 -0.710 418 HB3 LEU 608 2HB LEU 608 -2.934 -3.852 -1.757 419 HG LEU 608 HG LEU 608 -1.701 -1.761 -1.035 420 HD11 LEU 608 1HD1 LEU 608 -3.613 -0.933 -1.798 421 HD12 LEU 608 2HD1 LEU 608 -4.201 -0.937 -0.136 422 HD13 LEU 608 3HD1 LEU 608 -4.528 -2.313 -1.189 423 HD21 LEU 608 1HD2 LEU 608 -3.213 -1.733 1.488 424 HD22 LEU 608 2HD2 LEU 608 -1.611 -1.097 1.113 425 HD23 LEU 608 3HD2 LEU 608 -1.821 -2.816 1.453 426 H GLU 609 H GLU 609 -5.601 -4.280 -1.025 427 HA GLU 609 HA GLU 609 -5.485 -6.774 -2.476 428 HB2 GLU 609 1HB GLU 609 -7.222 -6.399 -0.096 429 HB3 GLU 609 2HB GLU 609 -7.947 -7.182 -1.492 430 HG2 GLU 609 1HG GLU 609 -5.495 -8.076 0.003 431 HG3 GLU 609 2HG GLU 609 -7.082 -8.844 0.012 432 H GLU 610 H GLU 610 -6.694 -6.733 -4.315 433 HA GLU 610 HA GLU 610 -7.627 -4.234 -5.248 434 HB2 GLU 610 1HB GLU 610 -6.778 -6.374 -6.530 435 HB3 GLU 610 2HB GLU 610 -8.486 -6.792 -6.537 436 HG2 GLU 610 1HG GLU 610 -8.984 -4.646 -7.631 437 HG3 GLU 610 2HG GLU 610 -7.258 -4.290 -7.675 438 H VAL 611 H VAL 611 -9.749 -3.595 -5.830 439 HA VAL 611 HA VAL 611 -11.861 -4.934 -4.267 440 HB VAL 611 HB VAL 611 -12.992 -2.689 -4.231 441 HG11 VAL 611 1HG1 VAL 611 -11.673 -1.838 -2.387 442 HG12 VAL 611 2HG1 VAL 611 -11.751 -3.599 -2.307 443 HG13 VAL 611 3HG1 VAL 611 -10.290 -2.805 -2.898 444 HG21 VAL 611 1HG2 VAL 611 -11.648 -0.707 -4.654 445 HG22 VAL 611 2HG2 VAL 611 -10.289 -1.714 -5.153 446 HG23 VAL 611 3HG2 VAL 611 -11.768 -1.693 -6.111 447 H ALA 612 H ALA 612 -14.048 -4.748 -5.132 448 HA ALA 612 HA ALA 612 -14.229 -5.562 -7.801 449 HB1 ALA 612 1HB ALA 612 -15.942 -5.451 -5.629 450 HB2 ALA 612 2HB ALA 612 -16.697 -4.397 -6.827 451 HB3 ALA 612 3HB ALA 612 -16.321 -6.071 -7.237 452 H ASN 613 H ASN 613 -14.780 -2.399 -6.310 453 HA ASN 613 HA ASN 613 -14.980 -1.237 -9.010 454 HB2 ASN 613 1HB ASN 613 -17.017 -0.754 -7.935 455 HB3 ASN 613 2HB ASN 613 -16.229 -0.425 -6.395 456 HD21 ASN 613 1HD2 ASN 613 -15.910 2.952 -6.975 457 HD22 ASN 613 2HD2 ASN 613 -15.852 1.613 -5.885 Start of MODEL 25 1 H1 MET 553 H MET 553 7.735 -0.643 -12.407 2 HA MET 553 HA MET 553 6.773 0.425 -14.719 3 HB2 MET 553 1HB MET 553 4.514 -0.501 -14.982 4 HB3 MET 553 2HB MET 553 5.747 -1.726 -15.243 5 HG2 MET 553 1HG MET 553 5.335 -2.713 -13.125 6 HG3 MET 553 2HG MET 553 4.304 -1.371 -12.633 7 HE1 MET 553 1HE MET 553 2.821 -5.197 -13.896 8 HE2 MET 553 2HE MET 553 4.412 -4.719 -13.306 9 HE3 MET 553 3HE MET 553 2.979 -4.408 -12.325 10 H VAL 554 H VAL 554 4.347 1.372 -14.289 11 HA VAL 554 HA VAL 554 3.931 2.043 -11.505 12 HB VAL 554 HB VAL 554 5.604 3.689 -12.013 13 HG11 VAL 554 1HG1 VAL 554 5.924 4.416 -14.083 14 HG12 VAL 554 2HG1 VAL 554 4.431 3.632 -14.604 15 HG13 VAL 554 3HG1 VAL 554 4.395 5.291 -14.007 16 HG21 VAL 554 1HG2 VAL 554 4.505 5.440 -11.103 17 HG22 VAL 554 2HG2 VAL 554 3.236 5.420 -12.329 18 HG23 VAL 554 3HG2 VAL 554 3.183 4.277 -10.987 19 HA PRO 555 HA PRO 555 0.094 1.846 -14.085 20 HB2 PRO 555 1HB PRO 555 -1.303 0.363 -12.289 21 HB3 PRO 555 2HB PRO 555 -0.238 -0.353 -13.504 22 HG2 PRO 555 1HG PRO 555 0.291 0.195 -10.609 23 HG3 PRO 555 2HG PRO 555 0.702 -1.237 -11.569 24 HD2 PRO 555 1HD PRO 555 2.510 0.691 -10.982 25 HD3 PRO 555 2HD PRO 555 2.563 -0.239 -12.494 26 H GLY 556 H GLY 556 -2.251 2.243 -13.185 27 HA2 GLY 556 1HA GLY 556 -2.103 4.310 -11.080 28 HA3 GLY 556 2HA GLY 556 -2.982 4.586 -12.577 29 H ARG 557 H ARG 557 -2.896 1.602 -10.690 30 HA ARG 557 HA ARG 557 -5.810 1.710 -10.502 31 HB2 ARG 557 1HB ARG 557 -4.775 -0.338 -11.386 32 HB3 ARG 557 2HB ARG 557 -3.889 -0.542 -9.881 33 HG2 ARG 557 1HG ARG 557 -5.831 -1.055 -8.675 34 HG3 ARG 557 2HG ARG 557 -6.884 -0.437 -9.949 35 HD2 ARG 557 1HD ARG 557 -5.745 -2.300 -11.385 36 HD3 ARG 557 2HD ARG 557 -5.367 -3.005 -9.815 37 HE ARG 557 HE ARG 557 -7.565 -3.594 -9.597 38 HH11 ARG 557 1HH1 ARG 557 -8.935 -1.324 -12.597 39 HH12 ARG 557 2HH1 ARG 557 -7.281 -1.189 -12.098 40 HH21 ARG 557 1HH2 ARG 557 -10.335 -2.798 -11.540 41 HH22 ARG 557 2HH2 ARG 557 -9.745 -3.781 -10.244 42 H SER 558 H SER 558 -6.923 1.383 -8.537 43 HA SER 558 HA SER 558 -5.392 2.248 -6.181 44 HB2 SER 558 1HB SER 558 -7.502 3.046 -5.271 45 HB3 SER 558 2HB SER 558 -7.288 3.689 -6.900 46 HG SER 558 HG SER 558 -8.570 1.676 -7.483 47 H PHE 559 H PHE 559 -5.100 0.910 -4.524 48 HA PHE 559 HA PHE 559 -6.720 -1.550 -4.421 49 HB2 PHE 559 1HB PHE 559 -3.812 -1.070 -3.813 50 HB3 PHE 559 2HB PHE 559 -4.664 -2.462 -3.155 51 HD1 PHE 559 1HD PHE 559 -4.668 -4.424 -4.354 52 HD2 PHE 559 2HD PHE 559 -4.055 -0.745 -6.407 53 HE1 PHE 559 1HE PHE 559 -4.262 -5.660 -6.442 54 HE2 PHE 559 2HE PHE 559 -3.649 -1.976 -8.498 55 HZ PHE 559 HZ PHE 559 -3.753 -4.437 -8.518 56 H MET 560 H MET 560 -7.615 -2.166 -2.504 57 HA MET 560 HA MET 560 -7.546 -0.171 -0.364 58 HB2 MET 560 1HB MET 560 -9.747 -0.832 -1.245 59 HB3 MET 560 2HB MET 560 -9.425 -2.502 -0.798 60 HG2 MET 560 1HG MET 560 -9.064 -1.407 1.583 61 HG3 MET 560 2HG MET 560 -10.127 -0.178 0.901 62 HE1 MET 560 1HE MET 560 -10.833 -4.466 1.971 63 HE2 MET 560 2HE MET 560 -9.445 -3.408 2.226 64 HE3 MET 560 3HE MET 560 -10.846 -3.298 3.293 65 H ALA 561 H ALA 561 -6.846 -0.600 1.671 66 HA ALA 561 HA ALA 561 -5.187 -2.924 2.037 67 HB1 ALA 561 1HB ALA 561 -5.340 -1.623 4.481 68 HB2 ALA 561 2HB ALA 561 -4.101 -1.405 3.245 69 HB3 ALA 561 3HB ALA 561 -5.501 -0.334 3.288 70 H VAL 562 H VAL 562 -5.651 -4.744 3.115 71 HA VAL 562 HA VAL 562 -8.340 -5.024 4.228 72 HB VAL 562 HB VAL 562 -7.906 -7.437 4.213 73 HG11 VAL 562 1HG1 VAL 562 -8.097 -5.734 1.948 74 HG12 VAL 562 2HG1 VAL 562 -7.077 -7.108 1.519 75 HG13 VAL 562 3HG1 VAL 562 -8.704 -7.377 2.143 76 HG21 VAL 562 1HG2 VAL 562 -5.754 -8.018 4.471 77 HG22 VAL 562 2HG2 VAL 562 -5.667 -7.858 2.718 78 HG23 VAL 562 3HG2 VAL 562 -5.160 -6.522 3.752 79 H LYS 563 H LYS 563 -5.173 -4.499 5.267 80 HA LYS 563 HA LYS 563 -5.959 -4.878 8.031 81 HB2 LYS 563 1HB LYS 563 -3.687 -6.104 8.400 82 HB3 LYS 563 2HB LYS 563 -5.088 -7.018 7.855 83 HG2 LYS 563 1HG LYS 563 -4.240 -7.335 5.753 84 HG3 LYS 563 2HG LYS 563 -3.245 -5.878 5.816 85 HD2 LYS 563 1HD LYS 563 -1.846 -7.865 5.906 86 HD3 LYS 563 2HD LYS 563 -1.757 -6.983 7.432 87 HE2 LYS 563 1HE LYS 563 -2.908 -8.593 8.587 88 HE3 LYS 563 2HE LYS 563 -3.784 -9.144 7.160 89 HZ1 LYS 563 1HZ LYS 563 -1.594 -10.340 8.291 90 HZ2 LYS 563 2HZ LYS 563 -0.980 -9.584 6.908 91 HZ3 LYS 563 3HZ LYS 563 -2.256 -10.687 6.772 92 H SER 564 H SER 564 -3.918 -4.302 9.463 93 HA SER 564 HA SER 564 -2.970 -1.734 8.438 94 HB2 SER 564 1HB SER 564 -2.726 -1.040 10.651 95 HB3 SER 564 2HB SER 564 -4.119 -2.117 10.749 96 HG SER 564 HG SER 564 -2.716 -2.678 12.377 97 H TYR 565 H TYR 565 -0.717 -1.089 9.205 98 HA TYR 565 HA TYR 565 1.191 -3.256 9.413 99 HB2 TYR 565 1HB TYR 565 0.827 -3.097 6.981 100 HB3 TYR 565 2HB TYR 565 1.242 -1.388 7.033 101 HD1 TYR 565 1HD TYR 565 2.649 -4.745 7.849 102 HD2 TYR 565 2HD TYR 565 3.441 -0.734 6.671 103 HE1 TYR 565 1HE TYR 565 5.017 -5.318 7.517 104 HE2 TYR 565 2HE TYR 565 5.813 -1.296 6.335 105 HH TYR 565 HH TYR 565 7.297 -2.993 6.165 106 H GLN 566 H GLN 566 3.087 -2.639 10.358 107 HA GLN 566 HA GLN 566 3.267 0.187 11.149 108 HB2 GLN 566 1HB GLN 566 3.112 -1.878 12.817 109 HB3 GLN 566 2HB GLN 566 4.848 -1.924 12.536 110 HG2 GLN 566 1HG GLN 566 4.673 0.642 13.077 111 HG3 GLN 566 2HG GLN 566 3.199 0.136 13.902 112 HE21 GLN 566 1HE2 GLN 566 5.043 -0.576 16.729 113 HE22 GLN 566 2HE2 GLN 566 3.697 0.215 15.989 114 H ALA 567 H ALA 567 4.655 1.281 9.928 115 HA ALA 567 HA ALA 567 6.597 0.277 8.249 116 HB1 ALA 567 1HB ALA 567 6.262 2.456 7.761 117 HB2 ALA 567 2HB ALA 567 6.040 2.914 9.450 118 HB3 ALA 567 3HB ALA 567 7.663 2.677 8.807 119 H GLN 568 H GLN 568 8.579 -0.544 8.494 120 HA GLN 568 HA GLN 568 9.832 -0.346 11.153 121 HB2 GLN 568 1HB GLN 568 10.326 -2.544 9.149 122 HB3 GLN 568 2HB GLN 568 10.758 -2.516 10.854 123 HG2 GLN 568 1HG GLN 568 8.116 -2.262 11.093 124 HG3 GLN 568 2HG GLN 568 8.175 -3.123 9.557 125 HE21 GLN 568 1HE2 GLN 568 7.940 -5.705 12.099 126 HE22 GLN 568 2HE2 GLN 568 6.960 -4.457 11.417 127 H ALA 569 H ALA 569 10.394 -0.333 7.672 128 HA ALA 569 HA ALA 569 13.206 0.147 7.878 129 HB1 ALA 569 1HB ALA 569 11.625 0.851 5.444 130 HB2 ALA 569 2HB ALA 569 13.242 0.158 5.572 131 HB3 ALA 569 3HB ALA 569 11.827 -0.840 5.903 132 H GLU 570 H GLU 570 13.754 2.194 6.175 133 HA GLU 570 HA GLU 570 13.085 4.500 7.819 134 HB2 GLU 570 1HB GLU 570 14.996 5.488 7.026 135 HB3 GLU 570 2HB GLU 570 15.434 3.796 6.833 136 HG2 GLU 570 1HG GLU 570 14.694 3.932 4.469 137 HG3 GLU 570 2HG GLU 570 14.433 5.660 4.695 138 H GLY 571 H GLY 571 12.493 3.237 4.614 139 HA2 GLY 571 1HA GLY 571 11.057 5.708 3.897 140 HA3 GLY 571 2HA GLY 571 11.615 4.491 2.758 141 H GLU 572 H GLU 572 10.324 2.957 5.413 142 HA GLU 572 HA GLU 572 7.979 2.178 3.918 143 HB2 GLU 572 1HB GLU 572 9.483 1.166 6.212 144 HB3 GLU 572 2HB GLU 572 7.743 1.019 6.411 145 HG2 GLU 572 1HG GLU 572 8.374 -0.991 5.437 146 HG3 GLU 572 2HG GLU 572 7.748 -0.042 4.089 147 H ILE 573 H ILE 573 5.820 2.328 4.688 148 HA ILE 573 HA ILE 573 5.383 4.472 6.662 149 HB ILE 573 HB ILE 573 3.326 5.069 5.342 150 HG12 ILE 573 1HG1 ILE 573 4.529 3.907 2.900 151 HG13 ILE 573 2HG1 ILE 573 3.763 2.762 3.995 152 HG21 ILE 573 1HG2 ILE 573 4.655 6.269 3.542 153 HG22 ILE 573 2HG2 ILE 573 5.146 6.555 5.212 154 HG23 ILE 573 3HG2 ILE 573 6.076 5.454 4.195 155 HD11 ILE 573 1HD1 ILE 573 2.064 5.035 3.621 156 HD12 ILE 573 2HD1 ILE 573 2.540 4.362 2.061 157 HD13 ILE 573 3HD1 ILE 573 1.761 3.335 3.264 158 H SER 574 H SER 574 3.050 4.461 7.466 159 HA SER 574 HA SER 574 2.456 1.766 8.364 160 HB2 SER 574 1HB SER 574 1.278 2.735 10.109 161 HB3 SER 574 2HB SER 574 2.463 3.996 9.768 162 HG SER 574 HG SER 574 0.012 4.451 9.905 163 H LEU 575 H LEU 575 0.220 0.969 8.392 164 HA LEU 575 HA LEU 575 -1.258 1.819 5.989 165 HB2 LEU 575 1HB LEU 575 -0.628 -0.874 7.092 166 HB3 LEU 575 2HB LEU 575 -2.147 -0.648 6.226 167 HG LEU 575 HG LEU 575 0.089 -1.466 5.033 168 HD11 LEU 575 1HD1 LEU 575 -1.927 -1.455 3.845 169 HD12 LEU 575 2HD1 LEU 575 -0.865 -0.390 2.925 170 HD13 LEU 575 3HD1 LEU 575 -2.102 0.295 3.980 171 HD21 LEU 575 1HD2 LEU 575 0.169 1.524 4.660 172 HD22 LEU 575 2HD2 LEU 575 1.237 0.327 3.925 173 HD23 LEU 575 3HD2 LEU 575 1.295 0.612 5.666 174 H SER 576 H SER 576 -3.626 0.982 6.115 175 HA SER 576 HA SER 576 -4.736 1.065 8.800 176 HB2 SER 576 1HB SER 576 -4.926 3.301 6.859 177 HB3 SER 576 2HB SER 576 -6.409 2.873 7.710 178 HG SER 576 HG SER 576 -4.034 3.946 8.691 179 H LYS 577 H LYS 577 -6.207 -0.485 8.892 180 HA LYS 577 HA LYS 577 -7.135 -1.952 6.721 181 HB2 LYS 577 1HB LYS 577 -7.215 -2.358 9.345 182 HB3 LYS 577 2HB LYS 577 -8.851 -1.741 9.151 183 HG2 LYS 577 1HG LYS 577 -7.924 -3.897 7.326 184 HG3 LYS 577 2HG LYS 577 -8.324 -4.309 8.995 185 HD2 LYS 577 1HD LYS 577 -10.468 -2.830 8.403 186 HD3 LYS 577 2HD LYS 577 -10.075 -3.402 6.780 187 HE2 LYS 577 1HE LYS 577 -10.610 -5.550 7.266 188 HE3 LYS 577 2HE LYS 577 -10.048 -5.427 8.932 189 HZ1 LYS 577 1HZ LYS 577 -12.595 -4.322 7.877 190 HZ2 LYS 577 2HZ LYS 577 -12.055 -4.187 9.472 191 HZ3 LYS 577 3HZ LYS 577 -12.440 -5.706 8.836 192 H GLY 578 H GLY 578 -8.556 -1.510 5.174 193 HA2 GLY 578 1HA GLY 578 -10.634 -0.830 4.314 194 HA3 GLY 578 2HA GLY 578 -10.908 0.106 5.777 195 H GLU 579 H GLU 579 -7.883 0.909 5.002 196 HA GLU 579 HA GLU 579 -8.703 3.414 3.825 197 HB2 GLU 579 1HB GLU 579 -6.757 2.801 5.582 198 HB3 GLU 579 2HB GLU 579 -5.822 2.771 4.095 199 HG2 GLU 579 1HG GLU 579 -5.758 4.952 5.215 200 HG3 GLU 579 2HG GLU 579 -6.447 5.039 3.595 201 H LYS 580 H LYS 580 -8.493 4.036 1.758 202 HA LYS 580 HA LYS 580 -7.799 2.058 -0.214 203 HB2 LYS 580 1HB LYS 580 -9.638 3.924 -0.296 204 HB3 LYS 580 2HB LYS 580 -8.319 4.934 -0.875 205 HG2 LYS 580 1HG LYS 580 -9.447 4.098 -2.779 206 HG3 LYS 580 2HG LYS 580 -7.919 3.221 -2.662 207 HD2 LYS 580 1HD LYS 580 -9.631 1.637 -3.183 208 HD3 LYS 580 2HD LYS 580 -9.157 1.383 -1.502 209 HE2 LYS 580 1HE LYS 580 -11.587 1.296 -1.777 210 HE3 LYS 580 2HE LYS 580 -11.098 2.641 -0.748 211 HZ1 LYS 580 1HZ LYS 580 -12.838 3.026 -2.593 212 HZ2 LYS 580 2HZ LYS 580 -11.504 3.071 -3.633 213 HZ3 LYS 580 3HZ LYS 580 -11.622 4.181 -2.359 214 H ILE 581 H ILE 581 -5.670 1.634 -0.380 215 HA ILE 581 HA ILE 581 -3.731 3.804 -0.323 216 HB ILE 581 HB ILE 581 -2.992 0.958 -0.876 217 HG12 ILE 581 1HG1 ILE 581 -4.523 0.754 0.983 218 HG13 ILE 581 2HG1 ILE 581 -2.877 0.584 1.590 219 HG21 ILE 581 1HG2 ILE 581 -1.109 1.757 0.730 220 HG22 ILE 581 2HG2 ILE 581 -1.118 2.301 -0.946 221 HG23 ILE 581 3HG2 ILE 581 -1.704 3.368 0.328 222 HD11 ILE 581 1HD1 ILE 581 -4.913 2.444 2.347 223 HD12 ILE 581 2HD1 ILE 581 -3.338 2.144 3.083 224 HD13 ILE 581 3HD1 ILE 581 -3.489 3.310 1.769 225 H LYS 582 H LYS 582 -2.563 4.518 -2.038 226 HA LYS 582 HA LYS 582 -3.247 3.382 -4.669 227 HB2 LYS 582 1HB LYS 582 -4.126 5.605 -4.517 228 HB3 LYS 582 2HB LYS 582 -2.616 6.222 -3.864 229 HG2 LYS 582 1HG LYS 582 -2.940 6.849 -6.206 230 HG3 LYS 582 2HG LYS 582 -1.506 5.844 -5.981 231 HD2 LYS 582 1HD LYS 582 -2.500 3.989 -6.972 232 HD3 LYS 582 2HD LYS 582 -4.132 4.605 -6.715 233 HE2 LYS 582 1HE LYS 582 -2.310 6.185 -8.449 234 HE3 LYS 582 2HE LYS 582 -2.945 4.671 -9.092 235 HZ1 LYS 582 1HZ LYS 582 -5.170 5.446 -8.737 236 HZ2 LYS 582 2HZ LYS 582 -4.332 6.614 -9.626 237 HZ3 LYS 582 3HZ LYS 582 -4.621 6.853 -7.975 238 H VAL 583 H VAL 583 -1.608 2.113 -5.276 239 HA VAL 583 HA VAL 583 1.083 2.465 -4.457 240 HB VAL 583 HB VAL 583 0.210 0.268 -5.091 241 HG11 VAL 583 1HG1 VAL 583 0.409 0.597 -7.965 242 HG12 VAL 583 2HG1 VAL 583 -0.870 -0.140 -6.998 243 HG13 VAL 583 3HG1 VAL 583 -0.861 1.603 -7.269 244 HG21 VAL 583 1HG2 VAL 583 2.112 -0.047 -7.013 245 HG22 VAL 583 2HG2 VAL 583 2.633 1.452 -6.244 246 HG23 VAL 583 3HG2 VAL 583 2.431 -0.010 -5.277 247 H LEU 584 H LEU 584 2.565 3.821 -5.207 248 HA LEU 584 HA LEU 584 2.136 5.051 -7.845 249 HB2 LEU 584 1HB LEU 584 3.889 6.082 -5.627 250 HB3 LEU 584 2HB LEU 584 3.384 6.936 -7.084 251 HG LEU 584 HG LEU 584 1.421 6.062 -4.980 252 HD11 LEU 584 1HD1 LEU 584 2.644 8.800 -5.148 253 HD12 LEU 584 2HD1 LEU 584 3.266 7.549 -4.073 254 HD13 LEU 584 3HD1 LEU 584 1.613 8.132 -3.882 255 HD21 LEU 584 1HD2 LEU 584 -0.102 7.365 -6.079 256 HD22 LEU 584 2HD2 LEU 584 0.887 6.841 -7.442 257 HD23 LEU 584 3HD2 LEU 584 1.127 8.443 -6.741 258 H SER 585 H SER 585 4.294 3.149 -5.930 259 HA SER 585 HA SER 585 6.051 2.849 -8.251 260 HB2 SER 585 1HB SER 585 6.778 4.202 -5.810 261 HB3 SER 585 2HB SER 585 7.766 2.756 -6.018 262 HG SER 585 HG SER 585 7.386 4.794 -7.959 263 H ILE 586 H ILE 586 7.741 1.038 -7.688 264 HA ILE 586 HA ILE 586 6.649 -1.019 -5.950 265 HB ILE 586 HB ILE 586 6.705 -2.737 -7.738 266 HG12 ILE 586 1HG1 ILE 586 6.821 -0.391 -9.641 267 HG13 ILE 586 2HG1 ILE 586 8.203 -1.412 -9.260 268 HG21 ILE 586 1HG2 ILE 586 4.586 -1.802 -7.057 269 HG22 ILE 586 2HG2 ILE 586 4.796 -0.443 -8.159 270 HG23 ILE 586 3HG2 ILE 586 4.576 -2.070 -8.800 271 HD11 ILE 586 1HD1 ILE 586 6.031 -1.851 -11.109 272 HD12 ILE 586 2HD1 ILE 586 7.585 -2.675 -10.971 273 HD13 ILE 586 3HD1 ILE 586 6.218 -3.198 -9.986 274 H GLY 587 H GLY 587 8.110 -3.137 -6.426 275 HA2 GLY 587 1HA GLY 587 10.870 -2.446 -6.996 276 HA3 GLY 587 2HA GLY 587 10.534 -2.833 -5.314 277 H GLU 588 H GLU 588 10.409 -4.923 -4.699 278 HA GLU 588 HA GLU 588 10.295 -6.978 -6.794 279 HB2 GLU 588 1HB GLU 588 12.671 -6.430 -5.917 280 HB3 GLU 588 2HB GLU 588 12.158 -7.260 -4.454 281 HG2 GLU 588 1HG GLU 588 11.912 -9.306 -5.568 282 HG3 GLU 588 2HG GLU 588 11.945 -8.541 -7.154 283 H GLY 589 H GLY 589 9.760 -9.141 -5.949 284 HA2 GLY 589 1HA GLY 589 8.301 -10.500 -4.810 285 HA3 GLY 589 2HA GLY 589 8.940 -9.721 -3.369 286 H GLY 590 H GLY 590 7.012 -9.659 -2.250 287 HA2 GLY 590 1HA GLY 590 4.706 -8.375 -3.496 288 HA3 GLY 590 2HA GLY 590 4.737 -9.165 -1.927 289 H PHE 591 H PHE 591 6.887 -6.635 -3.155 290 HA PHE 591 HA PHE 591 5.818 -4.833 -1.084 291 HB2 PHE 591 1HB PHE 591 8.407 -5.936 -1.206 292 HB3 PHE 591 2HB PHE 591 8.576 -4.254 -1.695 293 HD1 PHE 591 1HD PHE 591 8.261 -2.472 -0.142 294 HD2 PHE 591 2HD PHE 591 7.540 -6.504 1.017 295 HE1 PHE 591 1HE PHE 591 8.182 -1.777 2.216 296 HE2 PHE 591 2HE PHE 591 7.459 -5.814 3.377 297 HZ PHE 591 HZ PHE 591 7.780 -3.449 3.979 298 H TRP 592 H TRP 592 5.578 -2.698 -1.619 299 HA TRP 592 HA TRP 592 6.661 -1.595 -4.037 300 HB2 TRP 592 1HB TRP 592 4.460 -1.113 -5.088 301 HB3 TRP 592 2HB TRP 592 4.833 -2.834 -5.033 302 HD1 TRP 592 HD TRP 592 3.819 -2.041 -1.654 303 HE1 TRP 592 1HE TRP 592 1.330 -2.568 -1.257 304 HE3 TRP 592 3HE TRP 592 2.307 -2.532 -6.513 305 HZ2 TRP 592 2HZ TRP 592 -0.968 -3.118 -2.799 306 HZ3 TRP 592 3HZ TRP 592 -0.053 -3.059 -6.967 307 HH2 TRP 592 HH TRP 592 -1.656 -3.347 -5.146 308 H GLU 593 H GLU 593 5.712 0.665 -4.418 309 HA GLU 593 HA GLU 593 5.419 1.946 -1.794 310 HB2 GLU 593 1HB GLU 593 6.959 2.557 -4.123 311 HB3 GLU 593 2HB GLU 593 5.824 3.871 -3.845 312 HG2 GLU 593 1HG GLU 593 7.140 2.993 -1.409 313 HG3 GLU 593 2HG GLU 593 8.272 3.550 -2.640 314 H GLY 594 H GLY 594 3.773 3.387 -1.354 315 HA2 GLY 594 1HA GLY 594 1.852 4.092 -3.404 316 HA3 GLY 594 2HA GLY 594 1.248 2.969 -2.194 317 H GLN 595 H GLN 595 -0.262 4.910 -2.004 318 HA GLN 595 HA GLN 595 0.788 6.659 0.112 319 HB2 GLN 595 1HB GLN 595 0.690 8.098 -1.764 320 HB3 GLN 595 2HB GLN 595 -0.852 7.436 -2.290 321 HG2 GLN 595 1HG GLN 595 -2.046 8.585 -0.668 322 HG3 GLN 595 2HG GLN 595 -0.619 8.851 0.333 323 HE21 GLN 595 1HE2 GLN 595 -0.894 11.120 -3.064 324 HE22 GLN 595 2HE2 GLN 595 -1.273 9.436 -3.101 325 H VAL 596 H VAL 596 -0.488 6.884 1.867 326 HA VAL 596 HA VAL 596 -3.243 5.864 1.721 327 HB VAL 596 HB VAL 596 -1.937 4.101 2.732 328 HG11 VAL 596 1HG1 VAL 596 -0.486 6.265 3.871 329 HG12 VAL 596 2HG1 VAL 596 -1.099 5.255 5.181 330 HG13 VAL 596 3HG1 VAL 596 -0.107 4.543 3.907 331 HG21 VAL 596 1HG2 VAL 596 -3.113 5.180 5.196 332 HG22 VAL 596 2HG2 VAL 596 -4.189 5.184 3.799 333 HG23 VAL 596 3HG2 VAL 596 -3.451 3.675 4.341 334 H LYS 597 H LYS 597 -4.543 7.510 2.166 335 HA LYS 597 HA LYS 597 -5.219 9.577 2.931 336 HB2 LYS 597 1HB LYS 597 -5.322 9.569 5.481 337 HB3 LYS 597 2HB LYS 597 -6.130 8.247 4.649 338 HG2 LYS 597 1HG LYS 597 -5.036 7.157 6.353 339 HG3 LYS 597 2HG LYS 597 -3.898 6.982 5.017 340 HD2 LYS 597 1HD LYS 597 -2.718 7.619 7.036 341 HD3 LYS 597 2HD LYS 597 -2.646 8.930 5.857 342 HE2 LYS 597 1HE LYS 597 -3.394 10.272 7.468 343 HE3 LYS 597 2HE LYS 597 -4.946 9.450 7.315 344 HZ1 LYS 597 1HZ LYS 597 -3.109 9.404 9.471 345 HZ2 LYS 597 2HZ LYS 597 -3.386 7.831 8.912 346 HZ3 LYS 597 3HZ LYS 597 -4.686 8.796 9.402 347 H GLY 598 H GLY 598 -2.490 9.637 2.108 348 HA2 GLY 598 1HA GLY 598 -1.270 11.766 2.249 349 HA3 GLY 598 2HA GLY 598 -1.452 11.663 3.993 350 H ARG 599 H ARG 599 -0.682 9.196 4.650 351 HA ARG 599 HA ARG 599 2.102 9.307 4.590 352 HB2 ARG 599 1HB ARG 599 0.078 7.313 5.430 353 HB3 ARG 599 2HB ARG 599 1.702 6.701 5.141 354 HG2 ARG 599 1HG ARG 599 2.300 8.828 6.654 355 HG3 ARG 599 2HG ARG 599 0.690 8.461 7.278 356 HD2 ARG 599 1HD ARG 599 1.326 6.295 7.940 357 HD3 ARG 599 2HD ARG 599 2.798 6.344 6.970 358 HE ARG 599 HE ARG 599 2.448 7.349 9.628 359 HH11 ARG 599 1HH1 ARG 599 5.616 8.443 7.440 360 HH12 ARG 599 2HH1 ARG 599 4.240 7.726 6.668 361 HH21 ARG 599 1HH2 ARG 599 5.622 8.764 9.708 362 HH22 ARG 599 2HH2 ARG 599 4.253 8.292 10.656 363 H VAL 600 H VAL 600 3.228 9.256 2.741 364 HA VAL 600 HA VAL 600 2.616 7.121 0.802 365 HB VAL 600 HB VAL 600 4.118 9.674 0.224 366 HG11 VAL 600 1HG1 VAL 600 3.749 9.093 -2.099 367 HG12 VAL 600 2HG1 VAL 600 4.565 7.765 -1.270 368 HG13 VAL 600 3HG1 VAL 600 2.839 7.660 -1.622 369 HG21 VAL 600 1HG2 VAL 600 2.176 10.754 0.243 370 HG22 VAL 600 2HG2 VAL 600 1.636 9.717 -1.077 371 HG23 VAL 600 3HG2 VAL 600 1.297 9.264 0.594 372 H GLY 601 H GLY 601 4.030 5.509 0.759 373 HA2 GLY 601 1HA GLY 601 6.834 5.909 0.610 374 HA3 GLY 601 2HA GLY 601 6.385 5.379 2.225 375 H TRP 602 H TRP 602 7.511 3.430 1.997 376 HA TRP 602 HA TRP 602 6.522 1.576 -0.049 377 HB2 TRP 602 1HB TRP 602 8.908 1.336 1.797 378 HB3 TRP 602 2HB TRP 602 8.470 0.192 0.533 379 HD1 TRP 602 HD TRP 602 9.147 4.026 0.638 380 HE1 TRP 602 1HE TRP 602 10.595 4.619 -1.406 381 HE3 TRP 602 3HE TRP 602 9.539 -0.622 -1.456 382 HZ2 TRP 602 2HZ TRP 602 11.750 3.292 -3.615 383 HZ3 TRP 602 3HZ TRP 602 10.832 -0.875 -3.534 384 HH2 TRP 602 HH TRP 602 11.914 1.043 -4.590 385 H PHE 603 H PHE 603 5.900 -0.569 0.524 386 HA PHE 603 HA PHE 603 5.647 -1.505 3.159 387 HB2 PHE 603 1HB PHE 603 3.231 -1.263 3.508 388 HB3 PHE 603 2HB PHE 603 4.011 0.310 3.391 389 HD1 PHE 603 1HD PHE 603 1.783 -2.074 1.732 390 HD2 PHE 603 2HD PHE 603 3.567 1.785 1.549 391 HE1 PHE 603 1HE PHE 603 0.207 -1.434 -0.047 392 HE2 PHE 603 2HE PHE 603 1.996 2.432 -0.229 393 HZ PHE 603 HZ PHE 603 0.311 0.822 -1.029 394 HA PRO 604 HA PRO 604 4.794 -5.229 1.001 395 HB2 PRO 604 1HB PRO 604 3.396 -6.630 2.859 396 HB3 PRO 604 2HB PRO 604 5.132 -6.327 2.990 397 HG2 PRO 604 1HG PRO 604 2.857 -4.903 4.315 398 HG3 PRO 604 2HG PRO 604 4.410 -5.414 5.002 399 HD2 PRO 604 1HD PRO 604 3.927 -2.863 4.233 400 HD3 PRO 604 2HD PRO 604 5.537 -3.604 4.128 401 H SER 605 H SER 605 3.374 -5.728 -0.542 402 HA SER 605 HA SER 605 0.830 -4.492 -0.707 403 HB2 SER 605 1HB SER 605 0.839 -5.222 -2.852 404 HB3 SER 605 2HB SER 605 2.517 -5.654 -2.516 405 HG SER 605 HG SER 605 0.645 -7.274 -3.267 406 H ASP 606 H ASP 606 1.883 -7.206 0.974 407 HA ASP 606 HA ASP 606 -0.210 -9.017 0.766 408 HB2 ASP 606 1HB ASP 606 2.051 -9.081 2.122 409 HB3 ASP 606 2HB ASP 606 1.032 -8.506 3.438 410 H CYS 607 H CYS 607 0.067 -6.108 2.744 411 HA CYS 607 HA CYS 607 -2.453 -6.543 4.061 412 HB2 CYS 607 1HB CYS 607 -0.839 -3.992 3.951 413 HB3 CYS 607 2HB CYS 607 -2.063 -4.427 5.138 414 HG CYS 607 HG CYS 607 -0.033 -6.824 5.444 415 H LEU 608 H LEU 608 -1.657 -5.612 0.999 416 HA LEU 608 HA LEU 608 -3.979 -3.829 0.726 417 HB2 LEU 608 1HB LEU 608 -1.362 -3.986 -0.562 418 HB3 LEU 608 2HB LEU 608 -2.695 -3.812 -1.703 419 HG LEU 608 HG LEU 608 -1.587 -1.674 -0.993 420 HD11 LEU 608 1HD1 LEU 608 -3.512 -0.906 -1.782 421 HD12 LEU 608 2HD1 LEU 608 -4.131 -0.922 -0.131 422 HD13 LEU 608 3HD1 LEU 608 -4.389 -2.314 -1.183 423 HD21 LEU 608 1HD2 LEU 608 -1.696 -2.675 1.511 424 HD22 LEU 608 2HD2 LEU 608 -3.129 -1.646 1.514 425 HD23 LEU 608 3HD2 LEU 608 -1.547 -0.958 1.140 426 H GLU 609 H GLU 609 -5.379 -4.123 -1.125 427 HA GLU 609 HA GLU 609 -5.290 -6.649 -2.529 428 HB2 GLU 609 1HB GLU 609 -7.101 -6.165 -0.252 429 HB3 GLU 609 2HB GLU 609 -7.871 -6.810 -1.693 430 HG2 GLU 609 1HG GLU 609 -5.518 -8.034 -0.270 431 HG3 GLU 609 2HG GLU 609 -7.193 -8.571 -0.145 432 H GLU 610 H GLU 610 -6.588 -6.695 -4.372 433 HA GLU 610 HA GLU 610 -7.008 -4.324 -5.716 434 HB2 GLU 610 1HB GLU 610 -7.885 -7.124 -6.083 435 HB3 GLU 610 2HB GLU 610 -8.822 -5.912 -6.943 436 HG2 GLU 610 1HG GLU 610 -6.507 -5.046 -7.726 437 HG3 GLU 610 2HG GLU 610 -5.948 -6.649 -7.255 438 H VAL 611 H VAL 611 -9.058 -3.380 -6.490 439 HA VAL 611 HA VAL 611 -11.099 -3.395 -4.363 440 HB VAL 611 HB VAL 611 -10.293 -1.103 -6.159 441 HG11 VAL 611 1HG1 VAL 611 -12.492 -1.406 -4.138 442 HG12 VAL 611 2HG1 VAL 611 -11.840 0.175 -4.579 443 HG13 VAL 611 3HG1 VAL 611 -12.597 -0.844 -5.805 444 HG21 VAL 611 1HG2 VAL 611 -8.971 -1.962 -3.966 445 HG22 VAL 611 2HG2 VAL 611 -9.035 -0.276 -4.479 446 HG23 VAL 611 3HG2 VAL 611 -10.134 -0.859 -3.229 447 H ALA 612 H ALA 612 -12.752 -4.586 -5.082 448 HA ALA 612 HA ALA 612 -13.498 -4.542 -7.894 449 HB1 ALA 612 1HB ALA 612 -13.464 -6.700 -6.864 450 HB2 ALA 612 2HB ALA 612 -14.523 -6.153 -5.564 451 HB3 ALA 612 3HB ALA 612 -15.143 -6.286 -7.210 452 H ASN 613 H ASN 613 -13.990 -2.126 -7.416 453 HA ASN 613 HA ASN 613 -15.511 -0.444 -7.215 454 HB2 ASN 613 1HB ASN 613 -16.600 -2.266 -8.850 455 HB3 ASN 613 2HB ASN 613 -17.800 -2.307 -7.563 456 HD21 ASN 613 1HD2 ASN 613 -17.511 0.866 -10.064 457 HD22 ASN 613 2HD2 ASN 613 -16.350 -0.413 -10.073
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