NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
557457 | 2m2e | 18909 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 551 HN PHE 551 -0.342 -4.808 -0.184 2 HA PHE 551 HA PHE 551 -0.395 -7.503 0.900 3 HB2 PHE 551 HB2 PHE 551 0.978 -6.293 2.602 4 HB3 PHE 551 HB1 PHE 551 -0.295 -5.098 2.799 5 HD1 PHE 551 HD2 PHE 551 0.196 -8.838 3.045 6 HD2 PHE 551 HD1 PHE 551 -1.772 -5.386 4.630 7 HE1 PHE 551 HE2 PHE 551 -0.769 -10.208 4.842 8 HE2 PHE 551 HE1 PHE 551 -2.730 -6.767 6.425 9 HZ PHE 551 HZ PHE 551 -2.232 -9.179 6.533 10 H THR 552 HN THR 552 -2.457 -8.175 1.078 11 HA THR 552 HA THR 552 -4.689 -6.277 0.648 12 HB THR 552 HB THR 552 -5.955 -8.402 0.007 13 HG1 THR 552 HG1 THR 552 -3.574 -9.791 -0.351 14 HG21 THR 552 HG21 THR 552 -4.945 -6.977 -1.751 15 HG22 THR 552 HG22 THR 552 -4.900 -8.683 -2.197 16 HG23 THR 552 HG23 THR 552 -3.436 -7.886 -1.618 17 HA PRO 553 HA PRO 553 -6.401 -7.397 4.779 18 HB2 PRO 553 HB2 PRO 553 -9.096 -7.696 4.314 19 HB3 PRO 553 HB1 PRO 553 -8.308 -6.110 4.306 20 HG2 PRO 553 HG2 PRO 553 -8.975 -7.899 1.957 21 HG3 PRO 553 HG1 PRO 553 -9.324 -6.168 2.165 22 HD2 PRO 553 HD2 PRO 553 -7.206 -6.985 0.725 23 HD3 PRO 553 HD1 PRO 553 -7.092 -5.539 1.755 24 H TRP 554 HN TRP 554 -8.103 -9.243 5.693 25 HA TRP 554 HA TRP 554 -7.029 -11.786 5.052 26 HB2 TRP 554 HB2 TRP 554 -9.368 -10.879 6.745 27 HB3 TRP 554 HB1 TRP 554 -9.146 -12.595 6.422 28 HD1 TRP 554 HD1 TRP 554 -7.983 -9.926 8.774 29 HE1 TRP 554 HE1 TRP 554 -6.095 -10.828 10.269 30 HE3 TRP 554 HE3 TRP 554 -6.937 -14.275 6.260 31 HZ2 TRP 554 HZ2 TRP 554 -4.375 -13.060 10.366 32 HZ3 TRP 554 HZ3 TRP 554 -5.152 -15.741 7.124 33 HH2 TRP 554 HH2 TRP 554 -3.896 -15.142 9.142 34 H THR 555 HN THR 555 -7.183 -12.183 2.926 35 HA THR 555 HA THR 555 -9.592 -11.975 1.371 36 HB THR 555 HB THR 555 -8.122 -13.085 -0.400 37 HG1 THR 555 HG1 THR 555 -5.960 -13.422 0.127 38 HG21 THR 555 HG21 THR 555 -6.949 -10.609 0.938 39 HG22 THR 555 HG22 THR 555 -8.265 -10.612 -0.244 40 HG23 THR 555 HG23 THR 555 -6.651 -11.140 -0.718 41 H THR 556 HN THR 556 -10.348 -13.910 0.054 42 HA THR 556 HA THR 556 -11.573 -15.639 1.854 43 HB THR 556 HB THR 556 -11.375 -16.135 -1.145 44 HG1 THR 556 HG1 THR 556 -12.905 -14.582 -1.425 45 HG21 THR 556 HG21 THR 556 -13.626 -16.679 0.843 46 HG22 THR 556 HG22 THR 556 -12.551 -17.904 0.161 47 HG23 THR 556 HG23 THR 556 -13.665 -17.025 -0.888 48 H GLU 557 HN GLU 557 -8.807 -16.244 -0.311 49 HA GLU 557 HA GLU 557 -8.624 -19.044 0.302 50 HB2 GLU 557 HB2 GLU 557 -6.312 -18.902 -0.811 51 HB3 GLU 557 HB1 GLU 557 -7.726 -18.600 -1.811 52 HG2 GLU 557 HG2 GLU 557 -6.229 -16.281 -0.593 53 HG3 GLU 557 HG1 GLU 557 -5.575 -17.091 -2.013 54 H GLU 558 HN GLU 558 -6.552 -16.219 1.300 55 HA GLU 558 HA GLU 558 -4.838 -17.739 2.959 56 HB2 GLU 558 HB2 GLU 558 -5.449 -14.782 2.839 57 HB3 GLU 558 HB1 GLU 558 -4.515 -15.392 4.199 58 HG2 GLU 558 HG2 GLU 558 -2.915 -14.672 2.646 59 HG3 GLU 558 HG1 GLU 558 -2.927 -16.424 2.510 60 H GLN 559 HN GLN 559 -7.959 -16.321 3.606 61 HA GLN 559 HA GLN 559 -7.866 -16.606 6.455 62 HB2 GLN 559 HB2 GLN 559 -9.499 -15.148 4.738 63 HB3 GLN 559 HB1 GLN 559 -10.576 -16.447 5.199 64 HG2 GLN 559 HG2 GLN 559 -9.287 -14.371 6.976 65 HG3 GLN 559 HG1 GLN 559 -11.006 -14.643 6.682 66 HE21 GLN 559 HE21 GLN 559 -11.994 -16.502 7.661 67 HE22 GLN 559 HE22 GLN 559 -11.298 -17.228 9.068 68 H LYS 560 HN LYS 560 -9.243 -18.544 3.744 69 HA LYS 560 HA LYS 560 -10.560 -20.446 5.434 70 HB2 LYS 560 HB2 LYS 560 -11.078 -21.737 3.505 71 HB3 LYS 560 HB1 LYS 560 -11.120 -20.064 2.960 72 HG2 LYS 560 HG2 LYS 560 -8.946 -20.311 1.887 73 HG3 LYS 560 HG1 LYS 560 -8.763 -21.935 2.545 74 HD2 LYS 560 HD2 LYS 560 -9.392 -22.032 0.187 75 HD3 LYS 560 HD1 LYS 560 -10.674 -22.708 1.193 76 HE2 LYS 560 HE2 LYS 560 -12.012 -20.695 0.921 77 HE3 LYS 560 HE1 LYS 560 -10.688 -19.877 0.083 78 HZ1 LYS 560 HZ1 LYS 560 -12.353 -20.718 -1.440 79 HZ2 LYS 560 HZ2 LYS 560 -12.094 -22.303 -0.901 80 HZ3 LYS 560 HZ3 LYS 560 -10.859 -21.462 -1.700 81 H LEU 561 HN LEU 561 -7.337 -20.217 4.064 82 HA LEU 561 HA LEU 561 -6.379 -22.824 4.634 83 HB2 LEU 561 HB2 LEU 561 -4.849 -20.192 4.511 84 HB3 LEU 561 HB1 LEU 561 -4.102 -21.782 4.516 85 HG LEU 561 HG LEU 561 -5.880 -20.667 2.317 86 HD11 LEU 561 HD11 LEU 561 -2.886 -21.129 2.313 87 HD12 LEU 561 HD12 LEU 561 -3.707 -19.567 2.372 88 HD13 LEU 561 HD13 LEU 561 -3.862 -20.584 0.943 89 HD21 LEU 561 HD21 LEU 561 -4.443 -23.333 2.421 90 HD22 LEU 561 HD22 LEU 561 -5.299 -22.670 1.025 91 HD23 LEU 561 HD23 LEU 561 -6.190 -23.075 2.488 92 H LEU 562 HN LEU 562 -6.579 -19.829 6.503 93 HA LEU 562 HA LEU 562 -5.315 -20.788 8.860 94 HB2 LEU 562 HB2 LEU 562 -5.623 -18.364 8.371 95 HB3 LEU 562 HB1 LEU 562 -7.359 -18.545 8.557 96 HG LEU 562 HG LEU 562 -7.040 -19.141 10.957 97 HD11 LEU 562 HD11 LEU 562 -4.871 -18.814 12.058 98 HD12 LEU 562 HD12 LEU 562 -4.098 -18.561 10.492 99 HD13 LEU 562 HD13 LEU 562 -4.815 -20.127 10.885 100 HD21 LEU 562 HD21 LEU 562 -5.785 -16.486 10.199 101 HD22 LEU 562 HD22 LEU 562 -6.468 -16.906 11.772 102 HD23 LEU 562 HD23 LEU 562 -7.514 -16.817 10.358 103 H GLU 563 HN GLU 563 -8.750 -20.495 7.914 104 HA GLU 563 HA GLU 563 -10.097 -21.335 10.154 105 HB2 GLU 563 HB2 GLU 563 -10.783 -21.810 7.226 106 HB3 GLU 563 HB1 GLU 563 -11.905 -22.147 8.545 107 HG2 GLU 563 HG2 GLU 563 -10.719 -19.414 7.974 108 HG3 GLU 563 HG1 GLU 563 -12.268 -19.967 7.341 109 H GLN 564 HN GLN 564 -8.856 -23.398 7.529 110 HA GLN 564 HA GLN 564 -9.731 -25.857 8.718 111 HB2 GLN 564 HB2 GLN 564 -8.500 -26.977 6.899 112 HB3 GLN 564 HB1 GLN 564 -9.529 -25.685 6.288 113 HG2 GLN 564 HG2 GLN 564 -7.511 -24.215 6.130 114 HG3 GLN 564 HG1 GLN 564 -6.513 -25.581 6.624 115 HE21 GLN 564 HE21 GLN 564 -5.346 -25.526 4.665 116 HE22 GLN 564 HE22 GLN 564 -6.034 -26.044 3.170 117 H ALA 565 HN ALA 565 -6.653 -24.074 8.623 118 HA ALA 565 HA ALA 565 -5.003 -26.118 9.715 119 HB1 ALA 565 HB1 ALA 565 -4.536 -23.123 9.707 120 HB2 ALA 565 HB2 ALA 565 -4.117 -24.232 8.401 121 HB3 ALA 565 HB3 ALA 565 -3.312 -24.374 9.964 122 H LEU 566 HN LEU 566 -7.048 -23.703 11.175 123 HA LEU 566 HA LEU 566 -6.074 -23.788 13.843 124 HB2 LEU 566 HB2 LEU 566 -8.809 -23.071 12.723 125 HB3 LEU 566 HB1 LEU 566 -8.358 -22.841 14.407 126 HG LEU 566 HG LEU 566 -6.949 -21.480 12.073 127 HD11 LEU 566 HD11 LEU 566 -8.136 -19.419 12.713 128 HD12 LEU 566 HD12 LEU 566 -9.094 -20.328 13.883 129 HD13 LEU 566 HD13 LEU 566 -9.242 -20.677 12.160 130 HD21 LEU 566 HD21 LEU 566 -5.516 -21.749 14.037 131 HD22 LEU 566 HD22 LEU 566 -6.734 -20.980 15.059 132 HD23 LEU 566 HD23 LEU 566 -5.929 -20.052 13.791 133 H LYS 567 HN LYS 567 -8.261 -25.811 12.009 134 HA LYS 567 HA LYS 567 -9.073 -27.359 14.376 135 HB2 LYS 567 HB2 LYS 567 -10.805 -26.490 12.761 136 HB3 LYS 567 HB1 LYS 567 -10.108 -27.515 11.509 137 HG2 LYS 567 HG2 LYS 567 -10.683 -29.527 12.816 138 HG3 LYS 567 HG1 LYS 567 -11.337 -28.508 14.107 139 HD2 LYS 567 HD2 LYS 567 -13.049 -27.636 12.539 140 HD3 LYS 567 HD1 LYS 567 -12.389 -28.658 11.256 141 HE2 LYS 567 HE2 LYS 567 -12.974 -30.671 12.569 142 HE3 LYS 567 HE1 LYS 567 -13.634 -29.644 13.846 143 HZ1 LYS 567 HZ1 LYS 567 -15.393 -30.433 12.462 144 HZ2 LYS 567 HZ2 LYS 567 -14.626 -29.876 11.062 145 HZ3 LYS 567 HZ3 LYS 567 -15.215 -28.771 12.199 146 H THR 568 HN THR 568 -6.965 -27.522 11.605 147 HA THR 568 HA THR 568 -6.576 -30.385 11.615 148 HB THR 568 HB THR 568 -4.745 -28.265 10.392 149 HG1 THR 568 HG1 THR 568 -6.073 -29.216 8.454 150 HG21 THR 568 HG21 THR 568 -5.117 -31.198 9.673 151 HG22 THR 568 HG22 THR 568 -3.731 -30.531 10.540 152 HG23 THR 568 HG23 THR 568 -4.035 -30.061 8.866 153 H TYR 569 HN TYR 569 -5.024 -27.531 12.954 154 HA TYR 569 HA TYR 569 -3.322 -29.168 14.737 155 HB2 TYR 569 HB2 TYR 569 -2.556 -26.326 13.968 156 HB3 TYR 569 HB1 TYR 569 -1.523 -27.630 14.539 157 HD1 TYR 569 HD2 TYR 569 -1.478 -29.773 12.819 158 HD2 TYR 569 HD1 TYR 569 -2.328 -25.719 11.735 159 HE1 TYR 569 HE2 TYR 569 -0.861 -30.264 10.488 160 HE2 TYR 569 HE1 TYR 569 -1.723 -26.227 9.399 161 HH TYR 569 HH TYR 569 -0.299 -27.881 8.189 162 HA PRO 570 HA PRO 570 -6.163 -26.800 17.504 163 HB2 PRO 570 HB2 PRO 570 -5.876 -28.360 19.723 164 HB3 PRO 570 HB1 PRO 570 -6.863 -28.864 18.341 165 HG2 PRO 570 HG2 PRO 570 -4.031 -29.654 19.032 166 HG3 PRO 570 HG1 PRO 570 -5.381 -30.689 18.515 167 HD2 PRO 570 HD2 PRO 570 -3.443 -29.831 16.783 168 HD3 PRO 570 HD1 PRO 570 -5.113 -30.134 16.262 169 H VAL 571 HN VAL 571 -5.874 -25.677 19.579 170 HA VAL 571 HA VAL 571 -3.473 -24.278 19.960 171 HB VAL 571 HB VAL 571 -5.580 -23.360 20.751 172 HG11 VAL 571 HG11 VAL 571 -6.764 -25.418 21.372 173 HG12 VAL 571 HG12 VAL 571 -6.823 -24.258 22.699 174 HG13 VAL 571 HG13 VAL 571 -5.714 -25.629 22.779 175 HG21 VAL 571 HG21 VAL 571 -4.942 -22.537 22.982 176 HG22 VAL 571 HG22 VAL 571 -3.530 -22.600 21.924 177 HG23 VAL 571 HG23 VAL 571 -3.767 -23.846 23.150 178 H ASN 572 HN ASN 572 -4.562 -27.315 21.214 179 HA ASN 572 HA ASN 572 -2.850 -27.745 23.411 180 HB2 ASN 572 HB2 ASN 572 -4.057 -29.785 21.479 181 HB3 ASN 572 HB1 ASN 572 -3.458 -30.134 23.100 182 HD21 ASN 572 HD21 ASN 572 -4.743 -29.604 24.880 183 HD22 ASN 572 HD22 ASN 572 -6.385 -29.091 24.721 184 H THR 573 HN THR 573 -2.226 -27.825 19.997 185 HA THR 573 HA THR 573 0.299 -29.250 20.162 186 HB THR 573 HB THR 573 -0.900 -27.663 17.837 187 HG1 THR 573 HG1 THR 573 -1.850 -29.827 18.917 188 HG21 THR 573 HG21 THR 573 1.532 -28.115 17.555 189 HG22 THR 573 HG22 THR 573 0.565 -29.044 16.405 190 HG23 THR 573 HG23 THR 573 1.242 -29.831 17.832 191 HA PRO 574 HA PRO 574 2.397 -25.300 21.353 192 HB2 PRO 574 HB2 PRO 574 4.938 -26.375 21.528 193 HB3 PRO 574 HB1 PRO 574 3.735 -26.509 22.821 194 HG2 PRO 574 HG2 PRO 574 4.421 -28.512 20.660 195 HG3 PRO 574 HG1 PRO 574 4.226 -28.782 22.409 196 HD2 PRO 574 HD2 PRO 574 2.232 -29.368 20.714 197 HD3 PRO 574 HD1 PRO 574 1.876 -28.645 22.296 198 H GLU 575 HN GLU 575 3.037 -27.418 18.649 199 HA GLU 575 HA GLU 575 4.653 -25.419 17.202 200 HB2 GLU 575 HB2 GLU 575 4.035 -28.332 16.537 201 HB3 GLU 575 HB1 GLU 575 5.100 -27.272 15.609 202 HG2 GLU 575 HG2 GLU 575 6.641 -27.098 17.500 203 HG3 GLU 575 HG1 GLU 575 5.557 -28.058 18.508 204 H ARG 576 HN ARG 576 1.651 -25.300 17.711 205 HA ARG 576 HA ARG 576 0.082 -26.020 15.537 206 HB2 ARG 576 HB2 ARG 576 -0.782 -25.173 17.765 207 HB3 ARG 576 HB1 ARG 576 -0.327 -23.542 17.272 208 HG2 ARG 576 HG2 ARG 576 -1.892 -23.888 15.246 209 HG3 ARG 576 HG1 ARG 576 -2.479 -25.322 16.091 210 HD2 ARG 576 HD2 ARG 576 -2.966 -23.745 18.068 211 HD3 ARG 576 HD1 ARG 576 -2.690 -22.431 16.915 212 HE ARG 576 HE ARG 576 -4.518 -24.040 15.668 213 HH11 ARG 576 HH11 ARG 576 -4.476 -22.354 18.746 214 HH12 ARG 576 HH12 ARG 576 -6.203 -22.256 18.832 215 HH21 ARG 576 HH21 ARG 576 -6.774 -23.940 15.844 216 HH22 ARG 576 HH22 ARG 576 -7.497 -23.145 17.202 217 H TRP 577 HN TRP 577 1.464 -22.793 16.177 218 HA TRP 577 HA TRP 577 0.398 -21.656 13.763 219 HB2 TRP 577 HB2 TRP 577 2.315 -20.446 15.799 220 HB3 TRP 577 HB1 TRP 577 1.428 -19.560 14.561 221 HD1 TRP 577 HD1 TRP 577 1.080 -20.852 18.070 222 HE1 TRP 577 HE1 TRP 577 -1.265 -20.342 18.967 223 HE3 TRP 577 HE3 TRP 577 -1.196 -19.413 13.706 224 HZ2 TRP 577 HZ2 TRP 577 -3.750 -19.485 17.991 225 HZ3 TRP 577 HZ3 TRP 577 -3.574 -18.771 13.786 226 HH2 TRP 577 HH2 TRP 577 -4.820 -18.808 15.887 227 H LYS 578 HN LYS 578 3.393 -23.174 14.606 228 HA LYS 578 HA LYS 578 5.036 -22.163 12.484 229 HB2 LYS 578 HB2 LYS 578 5.196 -24.882 13.871 230 HB3 LYS 578 HB1 LYS 578 6.476 -24.122 12.923 231 HG2 LYS 578 HG2 LYS 578 5.360 -23.112 15.559 232 HG3 LYS 578 HG1 LYS 578 6.904 -23.936 15.329 233 HD2 LYS 578 HD2 LYS 578 7.757 -22.065 13.998 234 HD3 LYS 578 HD1 LYS 578 6.186 -21.255 14.061 235 HE2 LYS 578 HE2 LYS 578 7.833 -20.286 15.656 236 HE3 LYS 578 HE1 LYS 578 6.411 -20.933 16.476 237 HZ1 LYS 578 HZ1 LYS 578 7.658 -22.910 17.022 238 HZ2 LYS 578 HZ2 LYS 578 8.470 -21.545 17.595 239 HZ3 LYS 578 HZ3 LYS 578 9.018 -22.333 16.201 240 H LYS 579 HN LYS 579 2.835 -24.896 12.820 241 HA LYS 579 HA LYS 579 3.158 -25.955 10.168 242 HB2 LYS 579 HB2 LYS 579 0.954 -26.358 12.233 243 HB3 LYS 579 HB1 LYS 579 1.180 -27.338 10.783 244 HG2 LYS 579 HG2 LYS 579 3.315 -28.155 11.609 245 HG3 LYS 579 HG1 LYS 579 3.222 -27.088 13.016 246 HD2 LYS 579 HD2 LYS 579 1.299 -28.323 13.879 247 HD3 LYS 579 HD1 LYS 579 1.230 -29.312 12.416 248 HE2 LYS 579 HE2 LYS 579 3.462 -29.305 14.477 249 HE3 LYS 579 HE1 LYS 579 2.261 -30.574 14.227 250 HZ1 LYS 579 HZ1 LYS 579 4.298 -31.189 13.179 251 HZ2 LYS 579 HZ2 LYS 579 4.375 -29.735 12.322 252 HZ3 LYS 579 HZ3 LYS 579 3.163 -30.862 11.967 253 H ILE 580 HN ILE 580 0.955 -23.703 11.743 254 HA ILE 580 HA ILE 580 -0.807 -23.259 9.545 255 HB ILE 580 HB ILE 580 -0.222 -21.592 12.028 256 HG12 ILE 580 HG12 ILE 580 -2.499 -23.491 11.322 257 HG13 ILE 580 HG11 ILE 580 -1.250 -23.767 12.522 258 HG21 ILE 580 HG21 ILE 580 -2.466 -21.134 10.033 259 HG22 ILE 580 HG22 ILE 580 -1.074 -20.078 10.282 260 HG23 ILE 580 HG23 ILE 580 -2.259 -20.290 11.570 261 HD11 ILE 580 HD11 ILE 580 -2.168 -21.934 13.866 262 HD12 ILE 580 HD12 ILE 580 -3.341 -23.217 13.569 263 HD13 ILE 580 HD13 ILE 580 -3.442 -21.707 12.665 264 H ALA 581 HN ALA 581 2.321 -21.874 10.446 265 HA ALA 581 HA ALA 581 2.473 -19.774 8.581 266 HB1 ALA 581 HB1 ALA 581 4.910 -19.933 8.790 267 HB2 ALA 581 HB2 ALA 581 4.761 -21.527 9.547 268 HB3 ALA 581 HB3 ALA 581 4.139 -20.091 10.367 269 H GLU 582 HN GLU 582 2.994 -23.219 8.193 270 HA GLU 582 HA GLU 582 3.916 -23.085 5.448 271 HB2 GLU 582 HB2 GLU 582 2.907 -25.466 7.056 272 HB3 GLU 582 HB1 GLU 582 3.845 -25.542 5.563 273 HG2 GLU 582 HG2 GLU 582 5.794 -24.607 6.696 274 HG3 GLU 582 HG1 GLU 582 4.861 -24.360 8.173 275 H ALA 583 HN ALA 583 0.875 -23.459 7.135 276 HA ALA 583 HA ALA 583 -0.694 -24.319 4.862 277 HB1 ALA 583 HB1 ALA 583 -1.324 -24.971 7.157 278 HB2 ALA 583 HB2 ALA 583 -2.622 -24.069 6.377 279 HB3 ALA 583 HB3 ALA 583 -1.597 -23.277 7.579 280 H VAL 584 HN VAL 584 0.047 -21.264 6.441 281 HA VAL 584 HA VAL 584 -1.638 -19.732 4.554 282 HB VAL 584 HB VAL 584 -1.129 -18.860 7.440 283 HG11 VAL 584 HG11 VAL 584 -1.717 -17.055 5.878 284 HG12 VAL 584 HG12 VAL 584 -3.013 -17.305 7.048 285 HG13 VAL 584 HG13 VAL 584 -3.183 -17.915 5.398 286 HG21 VAL 584 HG21 VAL 584 -3.592 -20.330 6.431 287 HG22 VAL 584 HG22 VAL 584 -3.417 -19.590 8.026 288 HG23 VAL 584 HG23 VAL 584 -2.393 -20.952 7.568 289 HA PRO 585 HA PRO 585 2.584 -17.868 4.263 290 HB2 PRO 585 HB2 PRO 585 2.825 -17.827 1.575 291 HB3 PRO 585 HB1 PRO 585 3.055 -19.324 2.489 292 HG2 PRO 585 HG2 PRO 585 0.715 -18.449 0.838 293 HG3 PRO 585 HG1 PRO 585 1.375 -20.078 1.072 294 HD2 PRO 585 HD2 PRO 585 -0.862 -18.954 2.431 295 HD3 PRO 585 HD1 PRO 585 -0.027 -20.464 2.853 296 H GLY 586 HN GLY 586 3.155 -15.736 3.738 297 HA2 GLY 586 HA2 GLY 586 2.937 -13.535 3.055 298 HA3 GLY 586 HA1 GLY 586 1.381 -13.907 2.347 299 H ARG 587 HN ARG 587 0.942 -15.106 5.276 300 HA ARG 587 HA ARG 587 0.199 -12.563 6.615 301 HB2 ARG 587 HB2 ARG 587 -1.151 -15.272 7.045 302 HB3 ARG 587 HB1 ARG 587 -1.699 -13.693 7.612 303 HG2 ARG 587 HG2 ARG 587 -1.624 -14.641 4.725 304 HG3 ARG 587 HG1 ARG 587 -3.061 -14.523 5.745 305 HD2 ARG 587 HD2 ARG 587 -2.942 -12.130 5.784 306 HD3 ARG 587 HD1 ARG 587 -1.332 -12.125 5.052 307 HE ARG 587 HE ARG 587 -2.681 -13.329 3.142 308 HH11 ARG 587 HH11 ARG 587 -3.567 -10.480 4.929 309 HH12 ARG 587 HH12 ARG 587 -4.526 -9.823 3.649 310 HH21 ARG 587 HH21 ARG 587 -3.993 -12.529 1.487 311 HH22 ARG 587 HH22 ARG 587 -4.779 -10.993 1.684 312 H THR 588 HN THR 588 1.084 -12.273 8.616 313 HA THR 588 HA THR 588 3.016 -14.219 9.592 314 HB THR 588 HB THR 588 3.540 -12.501 11.322 315 HG1 THR 588 HG1 THR 588 1.378 -11.076 10.145 316 HG21 THR 588 HG21 THR 588 4.340 -10.691 9.829 317 HG22 THR 588 HG22 THR 588 3.317 -11.308 8.530 318 HG23 THR 588 HG23 THR 588 4.659 -12.282 9.136 319 H LYS 589 HN LYS 589 3.082 -14.868 11.844 320 HA LYS 589 HA LYS 589 0.714 -16.335 12.432 321 HB2 LYS 589 HB2 LYS 589 3.399 -16.099 13.807 322 HB3 LYS 589 HB1 LYS 589 2.099 -17.020 14.537 323 HG2 LYS 589 HG2 LYS 589 3.699 -18.450 13.325 324 HG3 LYS 589 HG1 LYS 589 2.064 -18.593 12.684 325 HD2 LYS 589 HD2 LYS 589 3.965 -16.660 11.347 326 HD3 LYS 589 HD1 LYS 589 4.215 -18.383 11.078 327 HE2 LYS 589 HE2 LYS 589 1.904 -18.582 10.196 328 HE3 LYS 589 HE1 LYS 589 1.637 -16.867 10.492 329 HZ1 LYS 589 HZ1 LYS 589 3.321 -16.338 8.898 330 HZ2 LYS 589 HZ2 LYS 589 2.169 -17.346 8.183 331 HZ3 LYS 589 HZ3 LYS 589 3.674 -17.969 8.646 332 H LYS 590 HN LYS 590 2.158 -13.392 13.744 333 HA LYS 590 HA LYS 590 0.537 -13.110 16.036 334 HB2 LYS 590 HB2 LYS 590 1.069 -10.662 15.890 335 HB3 LYS 590 HB1 LYS 590 2.494 -11.689 15.765 336 HG2 LYS 590 HG2 LYS 590 2.582 -11.363 13.355 337 HG3 LYS 590 HG1 LYS 590 1.082 -10.436 13.385 338 HD2 LYS 590 HD2 LYS 590 3.670 -9.599 14.759 339 HD3 LYS 590 HD1 LYS 590 3.142 -9.025 13.176 340 HE2 LYS 590 HE2 LYS 590 1.103 -8.054 14.243 341 HE3 LYS 590 HE1 LYS 590 1.705 -8.573 15.820 342 HZ1 LYS 590 HZ1 LYS 590 2.229 -6.283 15.453 343 HZ2 LYS 590 HZ2 LYS 590 2.998 -6.633 13.987 344 HZ3 LYS 590 HZ3 LYS 590 3.663 -7.177 15.443 345 H ASP 591 HN ASP 591 -0.032 -12.158 12.609 346 HA ASP 591 HA ASP 591 -2.578 -10.921 12.999 347 HB2 ASP 591 HB2 ASP 591 -1.340 -12.219 10.536 348 HB3 ASP 591 HB1 ASP 591 -2.938 -11.476 10.503 349 H CYS 592 HN CYS 592 -1.569 -14.220 12.245 350 HA CYS 592 HA CYS 592 -4.105 -15.385 11.882 351 HB2 CYS 592 HB2 CYS 592 -1.489 -16.652 12.787 352 HB3 CYS 592 HB1 CYS 592 -2.902 -17.548 12.230 353 HG CYS 592 HG CYS 592 -2.768 -16.822 9.637 354 H MET 593 HN MET 593 -2.170 -14.863 14.811 355 HA MET 593 HA MET 593 -3.781 -16.424 16.610 356 HB2 MET 593 HB2 MET 593 -1.735 -14.231 17.166 357 HB3 MET 593 HB1 MET 593 -2.511 -15.177 18.428 358 HG2 MET 593 HG2 MET 593 -1.454 -17.204 17.593 359 HG3 MET 593 HG1 MET 593 -0.736 -16.305 16.255 360 HE1 MET 593 HE1 MET 593 1.263 -17.954 17.691 361 HE2 MET 593 HE2 MET 593 2.519 -16.847 18.247 362 HE3 MET 593 HE3 MET 593 1.824 -16.659 16.633 363 H LYS 594 HN LYS 594 -3.467 -12.961 15.887 364 HA LYS 594 HA LYS 594 -5.296 -11.937 17.776 365 HB2 LYS 594 HB2 LYS 594 -3.566 -10.577 16.565 366 HB3 LYS 594 HB1 LYS 594 -4.478 -10.758 15.075 367 HG2 LYS 594 HG2 LYS 594 -4.858 -8.554 16.011 368 HG3 LYS 594 HG1 LYS 594 -6.360 -9.480 16.073 369 HD2 LYS 594 HD2 LYS 594 -6.146 -9.836 18.449 370 HD3 LYS 594 HD1 LYS 594 -4.485 -9.234 18.465 371 HE2 LYS 594 HE2 LYS 594 -6.065 -7.586 19.401 372 HE3 LYS 594 HE1 LYS 594 -5.285 -6.967 17.946 373 HZ1 LYS 594 HZ1 LYS 594 -7.282 -7.553 16.698 374 HZ2 LYS 594 HZ2 LYS 594 -7.628 -6.456 17.939 375 HZ3 LYS 594 HZ3 LYS 594 -8.028 -8.088 18.114 376 H ARG 595 HN ARG 595 -5.664 -12.646 14.309 377 HA ARG 595 HA ARG 595 -8.354 -12.131 13.879 378 HB2 ARG 595 HB2 ARG 595 -6.889 -12.606 12.005 379 HB3 ARG 595 HB1 ARG 595 -6.503 -14.201 12.625 380 HG2 ARG 595 HG2 ARG 595 -7.963 -14.427 10.719 381 HG3 ARG 595 HG1 ARG 595 -8.844 -14.929 12.163 382 HD2 ARG 595 HD2 ARG 595 -9.951 -12.687 12.208 383 HD3 ARG 595 HD1 ARG 595 -9.113 -12.276 10.702 384 HE ARG 595 HE ARG 595 -10.619 -14.729 10.539 385 HH11 ARG 595 HH11 ARG 595 -10.879 -11.233 10.178 386 HH12 ARG 595 HH12 ARG 595 -12.302 -11.339 9.192 387 HH21 ARG 595 HH21 ARG 595 -12.479 -14.840 9.277 388 HH22 ARG 595 HH22 ARG 595 -13.214 -13.382 8.688 389 H TYR 596 HN TYR 596 -6.867 -15.279 14.731 390 HA TYR 596 HA TYR 596 -9.182 -16.834 14.992 391 HB2 TYR 596 HB2 TYR 596 -7.006 -17.892 14.897 392 HB3 TYR 596 HB1 TYR 596 -6.465 -17.062 16.351 393 HD1 TYR 596 HD2 TYR 596 -9.388 -19.259 15.408 394 HD2 TYR 596 HD1 TYR 596 -6.248 -18.494 18.201 395 HE1 TYR 596 HE2 TYR 596 -10.098 -21.196 16.733 396 HE2 TYR 596 HE1 TYR 596 -6.962 -20.434 19.524 397 HH TYR 596 HH TYR 596 -9.034 -21.801 19.876 398 H LYS 597 HN LYS 597 -7.562 -14.761 17.319 399 HA LYS 597 HA LYS 597 -9.027 -15.559 19.627 400 HB2 LYS 597 HB2 LYS 597 -6.724 -14.483 19.598 401 HB3 LYS 597 HB1 LYS 597 -7.486 -12.956 19.190 402 HG2 LYS 597 HG2 LYS 597 -8.270 -14.444 21.714 403 HG3 LYS 597 HG1 LYS 597 -6.801 -13.469 21.680 404 HD2 LYS 597 HD2 LYS 597 -9.602 -12.433 21.075 405 HD3 LYS 597 HD1 LYS 597 -8.763 -12.246 22.617 406 HE2 LYS 597 HE2 LYS 597 -6.997 -10.925 21.499 407 HE3 LYS 597 HE1 LYS 597 -7.815 -11.139 19.947 408 HZ1 LYS 597 HZ1 LYS 597 -9.696 -9.942 20.807 409 HZ2 LYS 597 HZ2 LYS 597 -8.298 -9.010 20.931 410 HZ3 LYS 597 HZ3 LYS 597 -8.938 -9.749 22.308 411 H GLU 598 HN GLU 598 -9.395 -12.948 17.225 412 HA GLU 598 HA GLU 598 -11.622 -11.596 18.329 413 HB2 GLU 598 HB2 GLU 598 -10.968 -11.957 15.363 414 HB3 GLU 598 HB1 GLU 598 -12.093 -10.777 16.030 415 HG2 GLU 598 HG2 GLU 598 -9.083 -10.826 16.328 416 HG3 GLU 598 HG1 GLU 598 -10.048 -9.669 15.423 417 H LEU 599 HN LEU 599 -11.360 -14.380 16.136 418 HA LEU 599 HA LEU 599 -14.032 -14.720 15.391 419 HB2 LEU 599 HB2 LEU 599 -11.918 -16.885 15.754 420 HB3 LEU 599 HB1 LEU 599 -13.423 -17.084 14.865 421 HG LEU 599 HG LEU 599 -11.123 -15.246 14.098 422 HD11 LEU 599 HD11 LEU 599 -10.786 -16.747 12.192 423 HD12 LEU 599 HD12 LEU 599 -12.058 -17.815 12.793 424 HD13 LEU 599 HD13 LEU 599 -10.578 -17.586 13.730 425 HD21 LEU 599 HD21 LEU 599 -13.236 -14.222 13.447 426 HD22 LEU 599 HD22 LEU 599 -13.741 -15.705 12.635 427 HD23 LEU 599 HD23 LEU 599 -12.363 -14.786 12.023 428 H VAL 600 HN VAL 600 -12.232 -16.173 18.104 429 HA VAL 600 HA VAL 600 -14.352 -17.739 19.138 430 HB VAL 600 HB VAL 600 -11.934 -16.650 20.649 431 HG11 VAL 600 HG11 VAL 600 -13.678 -17.432 22.205 432 HG12 VAL 600 HG12 VAL 600 -12.302 -18.534 22.232 433 HG13 VAL 600 HG13 VAL 600 -13.770 -18.980 21.360 434 HG21 VAL 600 HG21 VAL 600 -10.855 -18.831 20.155 435 HG22 VAL 600 HG22 VAL 600 -11.239 -17.953 18.674 436 HG23 VAL 600 HG23 VAL 600 -12.253 -19.305 19.182 437 H GLU 601 HN GLU 601 -13.192 -14.448 20.040 438 HA GLU 601 HA GLU 601 -14.949 -14.015 22.209 439 HB2 GLU 601 HB2 GLU 601 -13.715 -11.959 20.310 440 HB3 GLU 601 HB1 GLU 601 -14.507 -11.559 21.834 441 HG2 GLU 601 HG2 GLU 601 -11.943 -13.133 21.466 442 HG3 GLU 601 HG1 GLU 601 -12.099 -11.500 22.096 443 H MET 602 HN MET 602 -15.358 -13.377 18.733 444 HA MET 602 HA MET 602 -17.804 -11.938 18.932 445 HB2 MET 602 HB2 MET 602 -16.493 -13.374 16.590 446 HB3 MET 602 HB1 MET 602 -18.014 -12.505 16.431 447 HG2 MET 602 HG2 MET 602 -16.856 -10.424 17.182 448 HG3 MET 602 HG1 MET 602 -15.334 -11.315 17.199 449 HE1 MET 602 HE1 MET 602 -15.611 -13.192 14.592 450 HE2 MET 602 HE2 MET 602 -14.149 -12.277 14.964 451 HE3 MET 602 HE3 MET 602 -14.878 -12.161 13.364 452 H VAL 603 HN VAL 603 -17.108 -15.400 18.196 453 HA VAL 603 HA VAL 603 -19.852 -16.092 17.799 454 HB VAL 603 HB VAL 603 -19.172 -18.445 17.814 455 HG11 VAL 603 HG11 VAL 603 -17.183 -16.696 16.316 456 HG12 VAL 603 HG12 VAL 603 -18.789 -17.171 15.758 457 HG13 VAL 603 HG13 VAL 603 -17.531 -18.391 15.953 458 HG21 VAL 603 HG21 VAL 603 -16.840 -19.165 18.264 459 HG22 VAL 603 HG22 VAL 603 -17.586 -18.457 19.698 460 HG23 VAL 603 HG23 VAL 603 -16.428 -17.519 18.754 461 H LYS 604 HN LYS 604 -17.803 -15.982 20.665 462 HA LYS 604 HA LYS 604 -19.487 -17.318 22.526 463 HB2 LYS 604 HB2 LYS 604 -17.414 -15.108 22.890 464 HB3 LYS 604 HB1 LYS 604 -18.265 -15.827 24.253 465 HG2 LYS 604 HG2 LYS 604 -16.462 -17.325 22.324 466 HG3 LYS 604 HG1 LYS 604 -16.005 -16.760 23.935 467 HD2 LYS 604 HD2 LYS 604 -17.832 -18.213 24.883 468 HD3 LYS 604 HD1 LYS 604 -18.109 -18.852 23.259 469 HE2 LYS 604 HE2 LYS 604 -16.705 -20.383 24.555 470 HE3 LYS 604 HE1 LYS 604 -15.768 -19.701 23.224 471 HZ1 LYS 604 HZ1 LYS 604 -14.503 -19.705 25.271 472 HZ2 LYS 604 HZ2 LYS 604 -15.694 -18.789 26.053 473 HZ3 LYS 604 HZ3 LYS 604 -14.808 -18.119 24.781 474 H ALA 605 HN ALA 605 -19.173 -13.907 21.585 475 HA ALA 605 HA ALA 605 -21.071 -12.791 23.360 476 HB1 ALA 605 HB1 ALA 605 -20.103 -11.692 20.694 477 HB2 ALA 605 HB2 ALA 605 -19.315 -11.446 22.253 478 HB3 ALA 605 HB3 ALA 605 -20.918 -10.767 21.962 479 H LYS 606 HN LYS 606 -21.341 -13.988 20.032 480 HA LYS 606 HA LYS 606 -24.014 -13.194 19.525 481 HB2 LYS 606 HB2 LYS 606 -22.438 -15.515 18.324 482 HB3 LYS 606 HB1 LYS 606 -24.001 -14.959 17.727 483 HG2 LYS 606 HG2 LYS 606 -22.928 -12.708 17.282 484 HG3 LYS 606 HG1 LYS 606 -21.377 -13.435 17.698 485 HD2 LYS 606 HD2 LYS 606 -21.626 -13.422 15.278 486 HD3 LYS 606 HD1 LYS 606 -21.688 -15.091 15.853 487 HE2 LYS 606 HE2 LYS 606 -24.158 -15.066 15.668 488 HE3 LYS 606 HE1 LYS 606 -24.112 -13.386 15.131 489 HZ1 LYS 606 HZ1 LYS 606 -22.828 -14.108 13.201 490 HZ2 LYS 606 HZ2 LYS 606 -24.346 -14.849 13.268 491 HZ3 LYS 606 HZ3 LYS 606 -22.962 -15.714 13.704 492 H LYS 607 HN LYS 607 -22.663 -16.353 20.566 493 HA LYS 607 HA LYS 607 -25.129 -17.718 20.713 494 HB2 LYS 607 HB2 LYS 607 -22.973 -18.891 20.487 495 HB3 LYS 607 HB1 LYS 607 -22.486 -18.349 22.088 496 HG2 LYS 607 HG2 LYS 607 -23.181 -20.692 22.139 497 HG3 LYS 607 HG1 LYS 607 -24.258 -19.699 23.114 498 HD2 LYS 607 HD2 LYS 607 -25.635 -21.265 21.942 499 HD3 LYS 607 HD1 LYS 607 -25.897 -19.704 21.173 500 HE2 LYS 607 HE2 LYS 607 -23.942 -21.737 20.047 501 HE3 LYS 607 HE1 LYS 607 -25.658 -21.770 19.651 502 HZ1 LYS 607 HZ1 LYS 607 -23.829 -19.492 19.148 503 HZ2 LYS 607 HZ2 LYS 607 -25.473 -19.559 18.750 504 HZ3 LYS 607 HZ3 LYS 607 -24.379 -20.602 17.999 505 H ALA 608 HN ALA 608 -23.294 -15.927 23.145 506 HA ALA 608 HA ALA 608 -24.824 -16.584 25.436 507 HB1 ALA 608 HB1 ALA 608 -23.763 -14.599 26.458 508 HB2 ALA 608 HB2 ALA 608 -23.205 -14.075 24.865 509 HB3 ALA 608 HB3 ALA 608 -22.585 -15.569 25.569 510 H ALA 609 HN ALA 609 -25.038 -13.909 23.092 511 HA ALA 609 HA ALA 609 -27.207 -12.506 24.277 512 HB1 ALA 609 HB1 ALA 609 -27.357 -11.299 22.135 513 HB2 ALA 609 HB2 ALA 609 -26.298 -12.494 21.374 514 HB3 ALA 609 HB3 ALA 609 -25.679 -11.452 22.658 515 H GLN 610 HN GLN 610 -27.077 -14.972 21.726 516 HA GLN 610 HA GLN 610 -29.815 -15.130 21.030 517 HB2 GLN 610 HB2 GLN 610 -27.619 -17.256 20.942 518 HB3 GLN 610 HB1 GLN 610 -29.194 -17.435 20.170 519 HG2 GLN 610 HG2 GLN 610 -28.722 -15.709 18.588 520 HG3 GLN 610 HG1 GLN 610 -27.298 -15.176 19.478 521 HE21 GLN 610 HE21 GLN 610 -27.500 -15.996 16.687 522 HE22 GLN 610 HE22 GLN 610 -26.402 -17.309 16.481 523 H GLU 611 HN GLU 611 -27.911 -16.569 23.603 524 HA GLU 611 HA GLU 611 -29.905 -18.407 24.540 525 HB2 GLU 611 HB2 GLU 611 -27.473 -18.797 24.895 526 HB3 GLU 611 HB1 GLU 611 -27.390 -17.369 25.926 527 HG2 GLU 611 HG2 GLU 611 -28.920 -18.424 27.527 528 HG3 GLU 611 HG1 GLU 611 -29.059 -19.837 26.488 529 H GLN 612 HN GLN 612 -29.069 -15.031 25.244 530 HA GLN 612 HA GLN 612 -30.717 -14.800 27.603 531 HB2 GLN 612 HB2 GLN 612 -29.784 -12.537 25.780 532 HB3 GLN 612 HB1 GLN 612 -30.393 -12.371 27.425 533 HG2 GLN 612 HG2 GLN 612 -27.762 -13.570 26.530 534 HG3 GLN 612 HG1 GLN 612 -28.010 -12.114 27.478 535 HE21 GLN 612 HE21 GLN 612 -26.432 -14.576 28.001 536 HE22 GLN 612 HE22 GLN 612 -26.979 -15.161 29.534 537 H VAL 613 HN VAL 613 -31.150 -14.123 24.156 538 HA VAL 613 HA VAL 613 -33.821 -13.201 24.177 539 HB VAL 613 HB VAL 613 -32.333 -14.774 22.016 540 HG11 VAL 613 HG11 VAL 613 -33.993 -13.878 20.397 541 HG12 VAL 613 HG12 VAL 613 -34.906 -13.159 21.724 542 HG13 VAL 613 HG13 VAL 613 -34.762 -14.914 21.603 543 HG21 VAL 613 HG21 VAL 613 -31.917 -12.571 20.964 544 HG22 VAL 613 HG22 VAL 613 -31.212 -12.653 22.577 545 HG23 VAL 613 HG23 VAL 613 -32.715 -11.766 22.318 546 H LEU 614 HN LEU 614 -32.408 -16.448 24.060 547 HA LEU 614 HA LEU 614 -34.745 -18.009 23.842 548 HB2 LEU 614 HB2 LEU 614 -32.366 -18.786 23.509 549 HB3 LEU 614 HB1 LEU 614 -32.132 -18.745 25.242 550 HG LEU 614 HG LEU 614 -34.225 -20.554 23.958 551 HD11 LEU 614 HD11 LEU 614 -32.590 -22.390 23.985 552 HD12 LEU 614 HD12 LEU 614 -31.322 -21.270 24.491 553 HD13 LEU 614 HD13 LEU 614 -32.083 -21.090 22.908 554 HD21 LEU 614 HD21 LEU 614 -33.962 -21.926 26.001 555 HD22 LEU 614 HD22 LEU 614 -34.465 -20.286 26.394 556 HD23 LEU 614 HD23 LEU 614 -32.785 -20.769 26.634 557 H ASN 615 HN ASN 615 -32.952 -16.822 26.681 558 HA ASN 615 HA ASN 615 -34.439 -18.040 28.743 559 HB2 ASN 615 HB2 ASN 615 -32.235 -17.009 29.129 560 HB3 ASN 615 HB1 ASN 615 -32.866 -15.419 28.749 561 HD21 ASN 615 HD21 ASN 615 -34.127 -14.329 30.294 562 HD22 ASN 615 HD22 ASN 615 -34.235 -14.841 31.941 563 H ALA 616 HN ALA 616 -34.798 -14.943 27.093 564 HA ALA 616 HA ALA 616 -36.875 -13.836 28.669 565 HB1 ALA 616 HB1 ALA 616 -36.093 -13.214 25.801 566 HB2 ALA 616 HB2 ALA 616 -35.405 -12.469 27.245 567 HB3 ALA 616 HB3 ALA 616 -37.102 -12.202 26.840 568 H SER 617 HN SER 617 -36.879 -15.750 25.669 569 HA SER 617 HA SER 617 -39.762 -15.638 25.322 570 HB2 SER 617 HB2 SER 617 -39.282 -17.180 23.362 571 HB3 SER 617 HB1 SER 617 -38.410 -15.648 23.309 572 HG SER 617 HG SER 617 -36.597 -16.688 23.448 573 H ARG 618 HN ARG 618 -37.559 -17.652 27.035 574 HA ARG 618 HA ARG 618 -39.167 -20.077 27.005 575 HB2 ARG 618 HB2 ARG 618 -36.684 -20.220 27.162 576 HB3 ARG 618 HB1 ARG 618 -36.714 -19.342 28.685 577 HG2 ARG 618 HG2 ARG 618 -36.376 -21.762 29.033 578 HG3 ARG 618 HG1 ARG 618 -37.880 -21.211 29.778 579 HD2 ARG 618 HD2 ARG 618 -39.153 -22.089 27.846 580 HD3 ARG 618 HD1 ARG 618 -37.648 -22.643 27.105 581 HE ARG 618 HE ARG 618 -37.447 -23.999 29.304 582 HH11 ARG 618 HH11 ARG 618 -40.484 -23.377 27.649 583 HH12 ARG 618 HH12 ARG 618 -41.186 -24.883 28.137 584 HH21 ARG 618 HH21 ARG 618 -38.391 -25.947 29.947 585 HH22 ARG 618 HH22 ARG 618 -40.008 -26.332 29.463 586 H ALA 619 HN ALA 619 -38.349 -17.510 29.336 587 HA ALA 619 HA ALA 619 -40.784 -18.108 30.899 588 HB1 ALA 619 HB1 ALA 619 -38.885 -19.150 32.096 589 HB2 ALA 619 HB2 ALA 619 -39.542 -17.795 33.014 590 HB3 ALA 619 HB3 ALA 619 -38.032 -17.605 32.116 591 H LYS 620 HN LYS 620 -41.853 -16.303 31.574 592 HA LYS 620 HA LYS 620 -41.030 -13.711 30.543 593 HB2 LYS 620 HB2 LYS 620 -43.557 -14.561 32.029 594 HB3 LYS 620 HB1 LYS 620 -43.287 -12.957 31.340 595 HG2 LYS 620 HG2 LYS 620 -43.077 -14.005 29.079 596 HG3 LYS 620 HG1 LYS 620 -43.453 -15.573 29.801 597 HD2 LYS 620 HD2 LYS 620 -45.678 -14.701 30.494 598 HD3 LYS 620 HD1 LYS 620 -45.291 -13.143 29.750 599 HE2 LYS 620 HE2 LYS 620 -45.049 -14.326 27.544 600 HE3 LYS 620 HE1 LYS 620 -45.581 -15.815 28.328 601 HZ1 LYS 620 HZ1 LYS 620 -47.671 -14.744 28.850 602 HZ2 LYS 620 HZ2 LYS 620 -47.383 -14.711 27.184 603 HZ3 LYS 620 HZ3 LYS 620 -47.153 -13.315 28.113 604 H LYS 621 HN LYS 621 -40.866 -11.827 31.819 605 HA LYS 621 HA LYS 621 -39.587 -12.275 34.418 606 HB2 LYS 621 HB2 LYS 621 -39.649 -9.841 32.581 607 HB3 LYS 621 HB1 LYS 621 -38.706 -9.969 34.063 608 HG2 LYS 621 HG2 LYS 621 -37.401 -11.826 33.057 609 HG3 LYS 621 HG1 LYS 621 -38.346 -11.673 31.576 610 HD2 LYS 621 HD2 LYS 621 -36.236 -10.555 31.233 611 HD3 LYS 621 HD1 LYS 621 -37.490 -9.321 31.327 612 HE2 LYS 621 HE2 LYS 621 -35.713 -10.080 33.679 613 HE3 LYS 621 HE1 LYS 621 -35.325 -8.785 32.550 614 HZ1 LYS 621 HZ1 LYS 621 -36.351 -7.839 34.448 615 HZ2 LYS 621 HZ2 LYS 621 -37.649 -8.919 34.390 616 HZ3 LYS 621 HZ3 LYS 621 -37.473 -7.746 33.187 Start of MODEL 2 1 H PHE 551 HN PHE 551 -1.870 -3.755 7.909 2 HA PHE 551 HA PHE 551 -0.651 -5.245 5.655 3 HB2 PHE 551 HB2 PHE 551 -1.472 -7.332 6.539 4 HB3 PHE 551 HB1 PHE 551 -0.588 -6.535 7.831 5 HD1 PHE 551 HD2 PHE 551 -2.143 -5.028 9.453 6 HD2 PHE 551 HD1 PHE 551 -3.540 -8.307 7.099 7 HE1 PHE 551 HE2 PHE 551 -4.093 -5.266 10.928 8 HE2 PHE 551 HE1 PHE 551 -5.488 -8.543 8.577 9 HZ PHE 551 HZ PHE 551 -5.766 -7.020 10.491 10 H THR 552 HN THR 552 -2.072 -6.089 4.106 11 HA THR 552 HA THR 552 -4.645 -4.858 3.729 12 HB THR 552 HB THR 552 -4.785 -6.541 1.772 13 HG1 THR 552 HG1 THR 552 -3.002 -7.819 3.046 14 HG21 THR 552 HG21 THR 552 -3.968 -4.234 1.399 15 HG22 THR 552 HG22 THR 552 -3.067 -5.382 0.408 16 HG23 THR 552 HG23 THR 552 -2.343 -4.720 1.875 17 HA PRO 553 HA PRO 553 -7.012 -7.564 6.390 18 HB2 PRO 553 HB2 PRO 553 -9.472 -7.524 5.055 19 HB3 PRO 553 HB1 PRO 553 -8.892 -6.261 6.145 20 HG2 PRO 553 HG2 PRO 553 -8.740 -6.382 3.136 21 HG3 PRO 553 HG1 PRO 553 -9.211 -5.014 4.169 22 HD2 PRO 553 HD2 PRO 553 -6.763 -5.111 3.113 23 HD3 PRO 553 HD1 PRO 553 -6.973 -4.561 4.793 24 H TRP 554 HN TRP 554 -7.775 -9.641 6.593 25 HA TRP 554 HA TRP 554 -6.873 -11.633 4.789 26 HB2 TRP 554 HB2 TRP 554 -8.707 -11.775 7.215 27 HB3 TRP 554 HB1 TRP 554 -8.139 -13.194 6.351 28 HD1 TRP 554 HD1 TRP 554 -6.508 -10.169 8.246 29 HE1 TRP 554 HE1 TRP 554 -4.485 -11.080 9.548 30 HE3 TRP 554 HE3 TRP 554 -6.667 -15.031 6.688 31 HZ2 TRP 554 HZ2 TRP 554 -3.121 -13.531 9.868 32 HZ3 TRP 554 HZ3 TRP 554 -4.977 -16.605 7.547 33 HH2 TRP 554 HH2 TRP 554 -3.241 -15.872 9.107 34 H THR 555 HN THR 555 -7.831 -12.043 2.877 35 HA THR 555 HA THR 555 -10.656 -11.669 2.353 36 HB THR 555 HB THR 555 -10.158 -12.595 0.110 37 HG1 THR 555 HG1 THR 555 -7.590 -13.067 1.222 38 HG21 THR 555 HG21 THR 555 -8.524 -10.906 -0.650 39 HG22 THR 555 HG22 THR 555 -8.024 -10.624 1.017 40 HG23 THR 555 HG23 THR 555 -9.657 -10.193 0.502 41 H THR 556 HN THR 556 -11.849 -13.612 1.247 42 HA THR 556 HA THR 556 -12.409 -15.352 3.398 43 HB THR 556 HB THR 556 -13.452 -15.591 0.542 44 HG1 THR 556 HG1 THR 556 -14.044 -13.831 2.672 45 HG21 THR 556 HG21 THR 556 -14.100 -17.509 1.991 46 HG22 THR 556 HG22 THR 556 -15.491 -16.493 1.610 47 HG23 THR 556 HG23 THR 556 -14.732 -16.384 3.198 48 H GLU 557 HN GLU 557 -10.489 -15.788 0.492 49 HA GLU 557 HA GLU 557 -10.175 -18.649 0.712 50 HB2 GLU 557 HB2 GLU 557 -8.201 -18.298 -0.895 51 HB3 GLU 557 HB1 GLU 557 -9.787 -17.851 -1.494 52 HG2 GLU 557 HG2 GLU 557 -8.166 -15.663 -0.253 53 HG3 GLU 557 HG1 GLU 557 -7.587 -16.295 -1.791 54 H GLU 558 HN GLU 558 -8.254 -15.806 1.718 55 HA GLU 558 HA GLU 558 -6.094 -17.241 2.917 56 HB2 GLU 558 HB2 GLU 558 -7.095 -14.415 3.484 57 HB3 GLU 558 HB1 GLU 558 -5.568 -15.088 4.064 58 HG2 GLU 558 HG2 GLU 558 -4.792 -15.366 1.759 59 HG3 GLU 558 HG1 GLU 558 -6.318 -14.727 1.152 60 H GLN 559 HN GLN 559 -9.276 -16.353 3.975 61 HA GLN 559 HA GLN 559 -9.040 -16.759 6.766 62 HB2 GLN 559 HB2 GLN 559 -11.408 -16.664 4.852 63 HB3 GLN 559 HB1 GLN 559 -11.644 -17.157 6.523 64 HG2 GLN 559 HG2 GLN 559 -10.459 -14.513 5.652 65 HG3 GLN 559 HG1 GLN 559 -12.121 -14.774 6.204 66 HE21 GLN 559 HE21 GLN 559 -8.746 -14.679 7.208 67 HE22 GLN 559 HE22 GLN 559 -9.066 -14.588 8.894 68 H LYS 560 HN LYS 560 -10.261 -18.878 4.127 69 HA LYS 560 HA LYS 560 -10.734 -21.078 5.869 70 HB2 LYS 560 HB2 LYS 560 -11.124 -22.440 3.887 71 HB3 LYS 560 HB1 LYS 560 -11.951 -20.894 3.754 72 HG2 LYS 560 HG2 LYS 560 -10.257 -20.077 2.196 73 HG3 LYS 560 HG1 LYS 560 -9.325 -21.566 2.383 74 HD2 LYS 560 HD2 LYS 560 -10.642 -21.557 0.283 75 HD3 LYS 560 HD1 LYS 560 -11.134 -22.865 1.361 76 HE2 LYS 560 HE2 LYS 560 -13.086 -21.779 0.329 77 HE3 LYS 560 HE1 LYS 560 -13.094 -21.552 2.075 78 HZ1 LYS 560 HZ1 LYS 560 -13.688 -19.529 0.960 79 HZ2 LYS 560 HZ2 LYS 560 -12.281 -19.561 0.032 80 HZ3 LYS 560 HZ3 LYS 560 -12.182 -19.315 1.700 81 H LEU 561 HN LEU 561 -7.856 -20.015 4.144 82 HA LEU 561 HA LEU 561 -6.258 -22.351 4.429 83 HB2 LEU 561 HB2 LEU 561 -5.472 -19.412 4.391 84 HB3 LEU 561 HB1 LEU 561 -4.295 -20.718 4.389 85 HG LEU 561 HG LEU 561 -6.332 -20.168 2.194 86 HD11 LEU 561 HD11 LEU 561 -4.413 -19.513 0.820 87 HD12 LEU 561 HD12 LEU 561 -3.326 -19.736 2.193 88 HD13 LEU 561 HD13 LEU 561 -4.566 -18.479 2.241 89 HD21 LEU 561 HD21 LEU 561 -4.166 -22.292 2.321 90 HD22 LEU 561 HD22 LEU 561 -5.176 -21.928 0.918 91 HD23 LEU 561 HD23 LEU 561 -5.910 -22.560 2.387 92 H LEU 562 HN LEU 562 -6.727 -19.502 6.522 93 HA LEU 562 HA LEU 562 -5.088 -20.336 8.669 94 HB2 LEU 562 HB2 LEU 562 -5.880 -17.992 8.351 95 HB3 LEU 562 HB1 LEU 562 -7.512 -18.496 8.750 96 HG LEU 562 HG LEU 562 -6.714 -19.122 11.059 97 HD11 LEU 562 HD11 LEU 562 -4.534 -18.344 11.862 98 HD12 LEU 562 HD12 LEU 562 -4.089 -17.857 10.226 99 HD13 LEU 562 HD13 LEU 562 -4.368 -19.561 10.597 100 HD21 LEU 562 HD21 LEU 562 -6.250 -16.221 10.295 101 HD22 LEU 562 HD22 LEU 562 -6.555 -16.830 11.926 102 HD23 LEU 562 HD23 LEU 562 -7.801 -16.970 10.690 103 H GLU 563 HN GLU 563 -8.547 -20.721 8.017 104 HA GLU 563 HA GLU 563 -9.420 -21.796 10.442 105 HB2 GLU 563 HB2 GLU 563 -10.528 -22.054 7.620 106 HB3 GLU 563 HB1 GLU 563 -11.340 -22.742 9.023 107 HG2 GLU 563 HG2 GLU 563 -11.574 -20.512 10.009 108 HG3 GLU 563 HG1 GLU 563 -10.734 -19.802 8.629 109 H GLN 564 HN GLN 564 -8.552 -23.541 7.383 110 HA GLN 564 HA GLN 564 -9.040 -26.139 8.413 111 HB2 GLN 564 HB2 GLN 564 -7.816 -27.012 6.438 112 HB3 GLN 564 HB1 GLN 564 -8.983 -25.778 5.998 113 HG2 GLN 564 HG2 GLN 564 -7.155 -25.261 4.643 114 HG3 GLN 564 HG1 GLN 564 -6.950 -24.152 5.990 115 HE21 GLN 564 HE21 GLN 564 -4.713 -23.917 5.545 116 HE22 GLN 564 HE22 GLN 564 -3.584 -25.184 5.855 117 H ALA 565 HN ALA 565 -6.234 -24.056 8.567 118 HA ALA 565 HA ALA 565 -4.391 -26.020 9.576 119 HB1 ALA 565 HB1 ALA 565 -2.927 -24.115 10.014 120 HB2 ALA 565 HB2 ALA 565 -4.271 -22.987 9.797 121 HB3 ALA 565 HB3 ALA 565 -3.680 -23.936 8.429 122 H LEU 566 HN LEU 566 -6.663 -23.736 11.048 123 HA LEU 566 HA LEU 566 -5.933 -24.186 13.801 124 HB2 LEU 566 HB2 LEU 566 -8.478 -23.065 12.556 125 HB3 LEU 566 HB1 LEU 566 -8.110 -23.021 14.276 126 HG LEU 566 HG LEU 566 -6.377 -21.651 12.185 127 HD11 LEU 566 HD11 LEU 566 -8.665 -20.441 13.770 128 HD12 LEU 566 HD12 LEU 566 -8.575 -20.662 12.020 129 HD13 LEU 566 HD13 LEU 566 -7.486 -19.533 12.819 130 HD21 LEU 566 HD21 LEU 566 -6.509 -21.303 15.201 131 HD22 LEU 566 HD22 LEU 566 -5.472 -20.391 14.098 132 HD23 LEU 566 HD23 LEU 566 -5.232 -22.124 14.297 133 H LYS 567 HN LYS 567 -7.988 -25.783 11.488 134 HA LYS 567 HA LYS 567 -9.551 -27.298 13.444 135 HB2 LYS 567 HB2 LYS 567 -9.573 -27.233 10.384 136 HB3 LYS 567 HB1 LYS 567 -10.661 -28.232 11.349 137 HG2 LYS 567 HG2 LYS 567 -11.773 -26.314 12.265 138 HG3 LYS 567 HG1 LYS 567 -10.514 -25.224 11.677 139 HD2 LYS 567 HD2 LYS 567 -11.210 -25.755 9.323 140 HD3 LYS 567 HD1 LYS 567 -12.543 -26.726 9.966 141 HE2 LYS 567 HE2 LYS 567 -13.538 -24.751 11.006 142 HE3 LYS 567 HE1 LYS 567 -12.138 -23.767 10.569 143 HZ1 LYS 567 HZ1 LYS 567 -12.706 -24.255 8.207 144 HZ2 LYS 567 HZ2 LYS 567 -13.834 -23.302 9.032 145 HZ3 LYS 567 HZ3 LYS 567 -14.159 -24.940 8.749 146 H THR 568 HN THR 568 -6.772 -27.704 11.343 147 HA THR 568 HA THR 568 -6.544 -30.569 11.761 148 HB THR 568 HB THR 568 -4.512 -28.600 10.603 149 HG1 THR 568 HG1 THR 568 -5.785 -28.724 8.928 150 HG21 THR 568 HG21 THR 568 -4.548 -31.646 10.486 151 HG22 THR 568 HG22 THR 568 -3.411 -30.672 11.424 152 HG23 THR 568 HG23 THR 568 -3.393 -30.591 9.662 153 H TYR 569 HN TYR 569 -4.816 -27.643 12.873 154 HA TYR 569 HA TYR 569 -3.474 -29.172 15.030 155 HB2 TYR 569 HB2 TYR 569 -2.815 -26.288 14.269 156 HB3 TYR 569 HB1 TYR 569 -1.808 -27.449 15.123 157 HD1 TYR 569 HD2 TYR 569 -1.417 -29.731 13.573 158 HD2 TYR 569 HD1 TYR 569 -2.082 -25.755 12.141 159 HE1 TYR 569 HE2 TYR 569 -0.342 -30.314 11.437 160 HE2 TYR 569 HE1 TYR 569 -1.015 -26.344 10.003 161 HH TYR 569 HH TYR 569 -0.289 -29.562 9.124 162 HA PRO 570 HA PRO 570 -6.474 -26.813 17.667 163 HB2 PRO 570 HB2 PRO 570 -6.362 -28.453 19.835 164 HB3 PRO 570 HB1 PRO 570 -7.342 -28.858 18.418 165 HG2 PRO 570 HG2 PRO 570 -4.596 -29.860 19.168 166 HG3 PRO 570 HG1 PRO 570 -5.991 -30.780 18.566 167 HD2 PRO 570 HD2 PRO 570 -3.927 -29.984 16.935 168 HD3 PRO 570 HD1 PRO 570 -5.592 -30.185 16.346 169 H VAL 571 HN VAL 571 -6.091 -26.059 20.025 170 HA VAL 571 HA VAL 571 -3.688 -24.610 20.273 171 HB VAL 571 HB VAL 571 -5.757 -23.869 21.364 172 HG11 VAL 571 HG11 VAL 571 -5.502 -26.287 23.202 173 HG12 VAL 571 HG12 VAL 571 -6.743 -26.038 21.975 174 HG13 VAL 571 HG13 VAL 571 -6.682 -24.982 23.386 175 HG21 VAL 571 HG21 VAL 571 -3.598 -24.417 23.441 176 HG22 VAL 571 HG22 VAL 571 -4.859 -23.189 23.571 177 HG23 VAL 571 HG23 VAL 571 -3.623 -23.059 22.315 178 H ASN 572 HN ASN 572 -4.550 -27.841 21.237 179 HA ASN 572 HA ASN 572 -2.601 -28.363 23.245 180 HB2 ASN 572 HB2 ASN 572 -4.026 -30.314 21.371 181 HB3 ASN 572 HB1 ASN 572 -3.138 -30.771 22.827 182 HD21 ASN 572 HD21 ASN 572 -4.034 -30.248 24.889 183 HD22 ASN 572 HD22 ASN 572 -5.703 -29.833 25.053 184 H THR 573 HN THR 573 -2.345 -28.157 19.785 185 HA THR 573 HA THR 573 0.124 -29.592 19.475 186 HB THR 573 HB THR 573 -1.062 -27.420 17.673 187 HG1 THR 573 HG1 THR 573 -2.075 -29.755 18.261 188 HG21 THR 573 HG21 THR 573 1.321 -27.929 17.128 189 HG22 THR 573 HG22 THR 573 0.239 -28.513 15.857 190 HG23 THR 573 HG23 THR 573 0.938 -29.642 17.024 191 HA PRO 574 HA PRO 574 2.449 -26.209 21.579 192 HB2 PRO 574 HB2 PRO 574 4.959 -27.367 21.342 193 HB3 PRO 574 HB1 PRO 574 3.794 -27.790 22.602 194 HG2 PRO 574 HG2 PRO 574 4.367 -29.202 20.004 195 HG3 PRO 574 HG1 PRO 574 4.129 -29.898 21.622 196 HD2 PRO 574 HD2 PRO 574 2.151 -29.912 19.781 197 HD3 PRO 574 HD1 PRO 574 1.794 -29.688 21.508 198 H GLU 575 HN GLU 575 3.119 -27.525 18.396 199 HA GLU 575 HA GLU 575 4.658 -25.143 17.554 200 HB2 GLU 575 HB2 GLU 575 4.308 -27.847 16.158 201 HB3 GLU 575 HB1 GLU 575 5.363 -26.535 15.632 202 HG2 GLU 575 HG2 GLU 575 6.763 -26.807 17.608 203 HG3 GLU 575 HG1 GLU 575 5.661 -28.018 18.256 204 H ARG 576 HN ARG 576 1.673 -25.203 17.925 205 HA ARG 576 HA ARG 576 0.144 -25.788 15.703 206 HB2 ARG 576 HB2 ARG 576 -0.750 -25.041 17.985 207 HB3 ARG 576 HB1 ARG 576 -0.424 -23.378 17.500 208 HG2 ARG 576 HG2 ARG 576 -1.969 -23.784 15.502 209 HG3 ARG 576 HG1 ARG 576 -2.398 -25.321 16.252 210 HD2 ARG 576 HD2 ARG 576 -3.100 -23.951 18.306 211 HD3 ARG 576 HD1 ARG 576 -2.937 -22.527 17.264 212 HE ARG 576 HE ARG 576 -4.531 -24.292 15.857 213 HH11 ARG 576 HH11 ARG 576 -4.847 -22.635 18.927 214 HH12 ARG 576 HH12 ARG 576 -6.577 -22.656 18.881 215 HH21 ARG 576 HH21 ARG 576 -6.798 -24.349 15.856 216 HH22 ARG 576 HH22 ARG 576 -7.671 -23.618 17.166 217 H TRP 577 HN TRP 577 1.362 -22.515 16.503 218 HA TRP 577 HA TRP 577 0.353 -21.313 14.103 219 HB2 TRP 577 HB2 TRP 577 2.335 -20.211 16.150 220 HB3 TRP 577 HB1 TRP 577 1.462 -19.265 14.943 221 HD1 TRP 577 HD1 TRP 577 1.123 -20.497 18.454 222 HE1 TRP 577 HE1 TRP 577 -1.251 -20.037 19.325 223 HE3 TRP 577 HE3 TRP 577 -1.152 -19.254 14.045 224 HZ2 TRP 577 HZ2 TRP 577 -3.760 -19.283 18.294 225 HZ3 TRP 577 HZ3 TRP 577 -3.542 -18.683 14.074 226 HH2 TRP 577 HH2 TRP 577 -4.805 -18.701 16.152 227 H LYS 578 HN LYS 578 3.263 -22.915 14.870 228 HA LYS 578 HA LYS 578 5.012 -21.664 12.949 229 HB2 LYS 578 HB2 LYS 578 5.281 -24.218 14.606 230 HB3 LYS 578 HB1 LYS 578 6.528 -23.655 13.495 231 HG2 LYS 578 HG2 LYS 578 7.139 -22.994 15.731 232 HG3 LYS 578 HG1 LYS 578 6.725 -21.551 14.804 233 HD2 LYS 578 HD2 LYS 578 4.431 -21.619 15.900 234 HD3 LYS 578 HD1 LYS 578 5.020 -22.933 16.920 235 HE2 LYS 578 HE2 LYS 578 6.148 -20.117 16.818 236 HE3 LYS 578 HE1 LYS 578 5.113 -20.774 18.083 237 HZ1 LYS 578 HZ1 LYS 578 7.820 -21.775 17.400 238 HZ2 LYS 578 HZ2 LYS 578 6.825 -22.362 18.628 239 HZ3 LYS 578 HZ3 LYS 578 7.438 -20.794 18.719 240 H LYS 579 HN LYS 579 3.048 -24.581 13.117 241 HA LYS 579 HA LYS 579 3.723 -25.504 10.457 242 HB2 LYS 579 HB2 LYS 579 1.446 -26.438 12.265 243 HB3 LYS 579 HB1 LYS 579 2.143 -27.307 10.898 244 HG2 LYS 579 HG2 LYS 579 4.288 -27.508 12.127 245 HG3 LYS 579 HG1 LYS 579 3.575 -26.648 13.489 246 HD2 LYS 579 HD2 LYS 579 3.482 -28.953 14.077 247 HD3 LYS 579 HD1 LYS 579 1.835 -28.530 13.602 248 HE2 LYS 579 HE2 LYS 579 2.458 -30.701 12.658 249 HE3 LYS 579 HE1 LYS 579 2.256 -29.525 11.358 250 HZ1 LYS 579 HZ1 LYS 579 4.628 -29.307 11.200 251 HZ2 LYS 579 HZ2 LYS 579 4.231 -30.948 11.108 252 HZ3 LYS 579 HZ3 LYS 579 4.868 -30.308 12.536 253 H ILE 580 HN ILE 580 1.219 -23.540 11.972 254 HA ILE 580 HA ILE 580 -0.579 -23.305 9.777 255 HB ILE 580 HB ILE 580 -0.035 -21.482 12.152 256 HG12 ILE 580 HG12 ILE 580 -2.331 -23.377 11.534 257 HG13 ILE 580 HG11 ILE 580 -1.043 -23.675 12.684 258 HG21 ILE 580 HG21 ILE 580 -2.277 -21.129 10.133 259 HG22 ILE 580 HG22 ILE 580 -0.910 -20.036 10.366 260 HG23 ILE 580 HG23 ILE 580 -2.106 -20.239 11.645 261 HD11 ILE 580 HD11 ILE 580 -1.860 -21.809 14.049 262 HD12 ILE 580 HD12 ILE 580 -3.079 -23.062 13.806 263 HD13 ILE 580 HD13 ILE 580 -3.172 -21.556 12.894 264 H ALA 581 HN ALA 581 2.409 -21.595 10.634 265 HA ALA 581 HA ALA 581 2.474 -19.545 8.745 266 HB1 ALA 581 HB1 ALA 581 4.829 -21.269 9.611 267 HB2 ALA 581 HB2 ALA 581 4.203 -19.877 10.492 268 HB3 ALA 581 HB3 ALA 581 4.920 -19.648 8.899 269 H GLU 582 HN GLU 582 3.164 -22.972 8.341 270 HA GLU 582 HA GLU 582 4.118 -22.781 5.606 271 HB2 GLU 582 HB2 GLU 582 3.330 -25.265 7.206 272 HB3 GLU 582 HB1 GLU 582 4.352 -25.213 5.766 273 HG2 GLU 582 HG2 GLU 582 6.090 -24.024 6.991 274 HG3 GLU 582 HG1 GLU 582 5.050 -23.921 8.415 275 H ALA 583 HN ALA 583 1.138 -23.509 7.304 276 HA ALA 583 HA ALA 583 -0.302 -24.531 4.992 277 HB1 ALA 583 HB1 ALA 583 -2.181 -24.770 6.570 278 HB2 ALA 583 HB2 ALA 583 -1.267 -23.907 7.812 279 HB3 ALA 583 HB3 ALA 583 -0.703 -25.476 7.227 280 H VAL 584 HN VAL 584 0.295 -21.428 6.331 281 HA VAL 584 HA VAL 584 -1.721 -20.148 4.592 282 HB VAL 584 HB VAL 584 -0.990 -19.001 7.337 283 HG11 VAL 584 HG11 VAL 584 -1.761 -17.362 5.650 284 HG12 VAL 584 HG12 VAL 584 -2.951 -17.526 6.943 285 HG13 VAL 584 HG13 VAL 584 -3.230 -18.307 5.385 286 HG21 VAL 584 HG21 VAL 584 -2.175 -21.112 7.738 287 HG22 VAL 584 HG22 VAL 584 -3.473 -20.613 6.653 288 HG23 VAL 584 HG23 VAL 584 -3.206 -19.741 8.166 289 HA PRO 585 HA PRO 585 2.537 -18.754 3.459 290 HB2 PRO 585 HB2 PRO 585 1.163 -17.834 0.962 291 HB3 PRO 585 HB1 PRO 585 2.543 -18.923 1.150 292 HG2 PRO 585 HG2 PRO 585 0.132 -19.869 0.444 293 HG3 PRO 585 HG1 PRO 585 1.182 -20.791 1.542 294 HD2 PRO 585 HD2 PRO 585 -1.177 -19.019 2.224 295 HD3 PRO 585 HD1 PRO 585 -0.781 -20.652 2.820 296 H GLY 586 HN GLY 586 3.405 -16.862 4.051 297 HA2 GLY 586 HA2 GLY 586 3.968 -14.637 3.739 298 HA3 GLY 586 HA1 GLY 586 2.405 -14.339 3.002 299 H ARG 587 HN ARG 587 0.853 -15.430 5.199 300 HA ARG 587 HA ARG 587 0.539 -13.026 6.703 301 HB2 ARG 587 HB2 ARG 587 -0.747 -15.786 6.905 302 HB3 ARG 587 HB1 ARG 587 -1.234 -14.427 7.915 303 HG2 ARG 587 HG2 ARG 587 -1.392 -14.475 4.874 304 HG3 ARG 587 HG1 ARG 587 -2.742 -14.758 5.981 305 HD2 ARG 587 HD2 ARG 587 -2.354 -12.474 6.947 306 HD3 ARG 587 HD1 ARG 587 -1.137 -12.195 5.695 307 HE ARG 587 HE ARG 587 -3.390 -12.893 4.310 308 HH11 ARG 587 HH11 ARG 587 -2.698 -10.414 6.697 309 HH12 ARG 587 HH12 ARG 587 -3.825 -9.294 6.013 310 HH21 ARG 587 HH21 ARG 587 -4.860 -11.385 3.445 311 HH22 ARG 587 HH22 ARG 587 -5.046 -9.835 4.198 312 H THR 588 HN THR 588 1.232 -12.502 8.699 313 HA THR 588 HA THR 588 3.346 -14.056 9.923 314 HB THR 588 HB THR 588 3.533 -12.115 11.488 315 HG1 THR 588 HG1 THR 588 2.010 -10.302 10.896 316 HG21 THR 588 HG21 THR 588 4.654 -11.918 9.270 317 HG22 THR 588 HG22 THR 588 4.099 -10.351 9.856 318 HG23 THR 588 HG23 THR 588 3.190 -11.189 8.597 319 H LYS 589 HN LYS 589 3.388 -14.658 12.179 320 HA LYS 589 HA LYS 589 1.062 -16.153 12.875 321 HB2 LYS 589 HB2 LYS 589 3.740 -15.770 14.222 322 HB3 LYS 589 HB1 LYS 589 2.443 -16.600 15.064 323 HG2 LYS 589 HG2 LYS 589 3.881 -18.249 14.064 324 HG3 LYS 589 HG1 LYS 589 2.332 -18.294 13.223 325 HD2 LYS 589 HD2 LYS 589 4.608 -16.647 12.089 326 HD3 LYS 589 HD1 LYS 589 4.633 -18.394 11.880 327 HE2 LYS 589 HE2 LYS 589 2.554 -18.343 10.620 328 HE3 LYS 589 HE1 LYS 589 2.305 -16.641 10.998 329 HZ1 LYS 589 HZ1 LYS 589 4.240 -16.087 9.719 330 HZ2 LYS 589 HZ2 LYS 589 3.149 -16.962 8.778 331 HZ3 LYS 589 HZ3 LYS 589 4.534 -17.713 9.379 332 H LYS 590 HN LYS 590 2.404 -13.096 14.053 333 HA LYS 590 HA LYS 590 0.737 -12.823 16.314 334 HB2 LYS 590 HB2 LYS 590 1.197 -10.396 16.195 335 HB3 LYS 590 HB1 LYS 590 2.664 -11.351 16.037 336 HG2 LYS 590 HG2 LYS 590 2.781 -10.910 13.654 337 HG3 LYS 590 HG1 LYS 590 1.190 -10.141 13.670 338 HD2 LYS 590 HD2 LYS 590 2.961 -8.449 13.572 339 HD3 LYS 590 HD1 LYS 590 2.075 -8.318 15.092 340 HE2 LYS 590 HE2 LYS 590 3.906 -9.467 16.271 341 HE3 LYS 590 HE1 LYS 590 4.774 -9.689 14.750 342 HZ1 LYS 590 HZ1 LYS 590 4.089 -7.066 15.943 343 HZ2 LYS 590 HZ2 LYS 590 5.007 -7.333 14.550 344 HZ3 LYS 590 HZ3 LYS 590 5.598 -7.822 16.058 345 H ASP 591 HN ASP 591 0.255 -11.947 12.877 346 HA ASP 591 HA ASP 591 -2.365 -10.807 13.247 347 HB2 ASP 591 HB2 ASP 591 -0.716 -11.556 10.812 348 HB3 ASP 591 HB1 ASP 591 -2.412 -11.108 10.627 349 H CYS 592 HN CYS 592 -1.119 -14.028 12.654 350 HA CYS 592 HA CYS 592 -3.591 -15.248 11.867 351 HB2 CYS 592 HB2 CYS 592 -1.060 -16.465 13.056 352 HB3 CYS 592 HB1 CYS 592 -2.418 -17.416 12.451 353 HG CYS 592 HG CYS 592 -1.072 -15.166 10.332 354 H MET 593 HN MET 593 -1.928 -14.736 14.959 355 HA MET 593 HA MET 593 -3.763 -16.162 16.662 356 HB2 MET 593 HB2 MET 593 -1.736 -13.967 17.337 357 HB3 MET 593 HB1 MET 593 -2.598 -14.936 18.525 358 HG2 MET 593 HG2 MET 593 -1.454 -16.924 17.839 359 HG3 MET 593 HG1 MET 593 -0.747 -16.097 16.450 360 HE1 MET 593 HE1 MET 593 2.507 -16.451 18.485 361 HE2 MET 593 HE2 MET 593 1.803 -16.422 16.866 362 HE3 MET 593 HE3 MET 593 1.275 -17.628 18.045 363 H LYS 594 HN LYS 594 -3.266 -12.806 15.752 364 HA LYS 594 HA LYS 594 -5.203 -11.531 17.331 365 HB2 LYS 594 HB2 LYS 594 -3.373 -10.332 16.214 366 HB3 LYS 594 HB1 LYS 594 -3.980 -10.780 14.634 367 HG2 LYS 594 HG2 LYS 594 -5.783 -9.148 16.395 368 HG3 LYS 594 HG1 LYS 594 -4.370 -8.346 15.717 369 HD2 LYS 594 HD2 LYS 594 -6.586 -9.724 14.137 370 HD3 LYS 594 HD1 LYS 594 -6.344 -7.982 14.293 371 HE2 LYS 594 HE2 LYS 594 -4.409 -9.916 12.957 372 HE3 LYS 594 HE1 LYS 594 -5.516 -8.826 12.123 373 HZ1 LYS 594 HZ1 LYS 594 -3.271 -7.926 12.231 374 HZ2 LYS 594 HZ2 LYS 594 -3.309 -7.968 13.920 375 HZ3 LYS 594 HZ3 LYS 594 -4.357 -6.949 13.075 376 H ARG 595 HN ARG 595 -5.380 -12.659 13.923 377 HA ARG 595 HA ARG 595 -8.105 -11.965 13.511 378 HB2 ARG 595 HB2 ARG 595 -6.603 -12.265 11.580 379 HB3 ARG 595 HB1 ARG 595 -6.382 -13.967 11.968 380 HG2 ARG 595 HG2 ARG 595 -7.937 -13.691 10.093 381 HG3 ARG 595 HG1 ARG 595 -8.768 -14.400 11.479 382 HD2 ARG 595 HD2 ARG 595 -9.621 -12.088 12.036 383 HD3 ARG 595 HD1 ARG 595 -8.926 -11.520 10.513 384 HE ARG 595 HE ARG 595 -10.615 -13.739 10.048 385 HH11 ARG 595 HH11 ARG 595 -10.890 -10.333 10.879 386 HH12 ARG 595 HH12 ARG 595 -12.461 -10.178 10.165 387 HH21 ARG 595 HH21 ARG 595 -12.642 -13.512 9.123 388 HH22 ARG 595 HH22 ARG 595 -13.449 -11.981 9.171 389 H TYR 596 HN TYR 596 -6.538 -15.055 14.420 390 HA TYR 596 HA TYR 596 -8.816 -16.710 14.539 391 HB2 TYR 596 HB2 TYR 596 -6.649 -17.725 14.667 392 HB3 TYR 596 HB1 TYR 596 -6.201 -16.786 16.083 393 HD1 TYR 596 HD2 TYR 596 -8.992 -19.185 15.160 394 HD2 TYR 596 HD1 TYR 596 -6.044 -18.057 18.033 395 HE1 TYR 596 HE2 TYR 596 -9.640 -21.087 16.569 396 HE2 TYR 596 HE1 TYR 596 -6.689 -19.954 19.447 397 HH TYR 596 HH TYR 596 -8.619 -21.444 19.797 398 H LYS 597 HN LYS 597 -7.392 -14.590 16.993 399 HA LYS 597 HA LYS 597 -9.087 -15.207 19.152 400 HB2 LYS 597 HB2 LYS 597 -7.004 -13.937 19.455 401 HB3 LYS 597 HB1 LYS 597 -7.650 -12.597 18.509 402 HG2 LYS 597 HG2 LYS 597 -9.375 -12.203 20.243 403 HG3 LYS 597 HG1 LYS 597 -8.733 -13.547 21.192 404 HD2 LYS 597 HD2 LYS 597 -7.201 -11.023 20.457 405 HD3 LYS 597 HD1 LYS 597 -7.960 -11.332 22.020 406 HE2 LYS 597 HE2 LYS 597 -6.450 -13.267 22.381 407 HE3 LYS 597 HE1 LYS 597 -5.710 -12.984 20.802 408 HZ1 LYS 597 HZ1 LYS 597 -5.680 -11.082 23.073 409 HZ2 LYS 597 HZ2 LYS 597 -4.934 -10.849 21.577 410 HZ3 LYS 597 HZ3 LYS 597 -4.393 -12.072 22.610 411 H GLU 598 HN GLU 598 -9.332 -12.776 16.559 412 HA GLU 598 HA GLU 598 -11.743 -11.568 17.356 413 HB2 GLU 598 HB2 GLU 598 -10.682 -11.908 14.508 414 HB3 GLU 598 HB1 GLU 598 -11.964 -10.806 14.999 415 HG2 GLU 598 HG2 GLU 598 -9.043 -10.663 15.746 416 HG3 GLU 598 HG1 GLU 598 -9.935 -9.549 14.722 417 H LEU 599 HN LEU 599 -11.112 -14.374 15.202 418 HA LEU 599 HA LEU 599 -13.720 -14.934 14.332 419 HB2 LEU 599 HB2 LEU 599 -11.458 -16.910 14.867 420 HB3 LEU 599 HB1 LEU 599 -12.914 -17.286 13.956 421 HG LEU 599 HG LEU 599 -10.775 -15.285 13.133 422 HD11 LEU 599 HD11 LEU 599 -11.392 -18.021 11.979 423 HD12 LEU 599 HD12 LEU 599 -9.982 -17.582 12.950 424 HD13 LEU 599 HD13 LEU 599 -10.206 -16.869 11.355 425 HD21 LEU 599 HD21 LEU 599 -12.977 -14.555 12.359 426 HD22 LEU 599 HD22 LEU 599 -13.264 -16.130 11.617 427 HD23 LEU 599 HD23 LEU 599 -11.981 -15.085 11.001 428 H VAL 600 HN VAL 600 -11.992 -15.982 17.243 429 HA VAL 600 HA VAL 600 -14.035 -17.744 18.209 430 HB VAL 600 HB VAL 600 -11.670 -16.521 19.719 431 HG11 VAL 600 HG11 VAL 600 -13.415 -18.901 20.471 432 HG12 VAL 600 HG12 VAL 600 -13.410 -17.329 21.275 433 HG13 VAL 600 HG13 VAL 600 -11.982 -18.366 21.347 434 HG21 VAL 600 HG21 VAL 600 -11.899 -19.245 18.368 435 HG22 VAL 600 HG22 VAL 600 -10.513 -18.667 19.298 436 HG23 VAL 600 HG23 VAL 600 -10.944 -17.882 17.779 437 H GLU 601 HN GLU 601 -13.140 -14.352 18.950 438 HA GLU 601 HA GLU 601 -15.002 -14.088 21.124 439 HB2 GLU 601 HB2 GLU 601 -13.515 -11.951 19.531 440 HB3 GLU 601 HB1 GLU 601 -14.491 -11.624 20.959 441 HG2 GLU 601 HG2 GLU 601 -11.944 -13.263 20.841 442 HG3 GLU 601 HG1 GLU 601 -12.146 -11.673 21.565 443 H MET 602 HN MET 602 -15.192 -13.553 17.659 444 HA MET 602 HA MET 602 -17.623 -12.022 17.655 445 HB2 MET 602 HB2 MET 602 -16.191 -13.567 15.455 446 HB3 MET 602 HB1 MET 602 -17.668 -12.656 15.171 447 HG2 MET 602 HG2 MET 602 -16.541 -10.574 15.755 448 HG3 MET 602 HG1 MET 602 -15.081 -11.455 16.191 449 HE1 MET 602 HE1 MET 602 -16.656 -11.073 11.850 450 HE2 MET 602 HE2 MET 602 -17.435 -10.329 13.245 451 HE3 MET 602 HE3 MET 602 -17.463 -12.084 13.052 452 H VAL 603 HN VAL 603 -16.843 -15.496 17.172 453 HA VAL 603 HA VAL 603 -19.576 -16.259 16.781 454 HB VAL 603 HB VAL 603 -18.895 -18.598 17.039 455 HG11 VAL 603 HG11 VAL 603 -16.926 -17.020 15.344 456 HG12 VAL 603 HG12 VAL 603 -18.543 -17.537 14.860 457 HG13 VAL 603 HG13 VAL 603 -17.290 -18.741 15.160 458 HG21 VAL 603 HG21 VAL 603 -16.561 -19.269 17.540 459 HG22 VAL 603 HG22 VAL 603 -17.292 -18.411 18.897 460 HG23 VAL 603 HG23 VAL 603 -16.144 -17.580 17.847 461 H LYS 604 HN LYS 604 -17.502 -15.980 19.675 462 HA LYS 604 HA LYS 604 -19.275 -17.064 21.607 463 HB2 LYS 604 HB2 LYS 604 -17.151 -14.892 21.798 464 HB3 LYS 604 HB1 LYS 604 -18.098 -15.364 23.205 465 HG2 LYS 604 HG2 LYS 604 -17.196 -17.646 23.072 466 HG3 LYS 604 HG1 LYS 604 -16.286 -17.211 21.620 467 HD2 LYS 604 HD2 LYS 604 -14.974 -15.571 22.883 468 HD3 LYS 604 HD1 LYS 604 -15.925 -15.884 24.338 469 HE2 LYS 604 HE2 LYS 604 -15.027 -18.143 24.491 470 HE3 LYS 604 HE1 LYS 604 -14.185 -17.956 22.952 471 HZ1 LYS 604 HZ1 LYS 604 -12.888 -16.160 23.961 472 HZ2 LYS 604 HZ2 LYS 604 -12.674 -17.636 24.754 473 HZ3 LYS 604 HZ3 LYS 604 -13.651 -16.443 25.447 474 H ALA 605 HN ALA 605 -18.935 -13.778 20.260 475 HA ALA 605 HA ALA 605 -20.735 -12.419 21.935 476 HB1 ALA 605 HB1 ALA 605 -20.713 -10.638 20.237 477 HB2 ALA 605 HB2 ALA 605 -20.007 -11.752 19.058 478 HB3 ALA 605 HB3 ALA 605 -19.087 -11.282 20.487 479 H LYS 606 HN LYS 606 -21.274 -13.981 18.784 480 HA LYS 606 HA LYS 606 -24.051 -13.218 18.611 481 HB2 LYS 606 HB2 LYS 606 -22.445 -15.239 16.991 482 HB3 LYS 606 HB1 LYS 606 -24.060 -14.656 16.579 483 HG2 LYS 606 HG2 LYS 606 -23.186 -12.375 16.314 484 HG3 LYS 606 HG1 LYS 606 -21.568 -12.927 16.754 485 HD2 LYS 606 HD2 LYS 606 -23.140 -13.832 14.303 486 HD3 LYS 606 HD1 LYS 606 -21.858 -12.625 14.304 487 HE2 LYS 606 HE2 LYS 606 -20.800 -14.596 13.537 488 HE3 LYS 606 HE1 LYS 606 -20.332 -14.492 15.230 489 HZ1 LYS 606 HZ1 LYS 606 -21.937 -16.156 15.778 490 HZ2 LYS 606 HZ2 LYS 606 -20.986 -16.732 14.509 491 HZ3 LYS 606 HZ3 LYS 606 -22.552 -16.179 14.204 492 H LYS 607 HN LYS 607 -22.287 -16.171 19.514 493 HA LYS 607 HA LYS 607 -24.614 -17.869 19.454 494 HB2 LYS 607 HB2 LYS 607 -22.298 -18.662 18.922 495 HB3 LYS 607 HB1 LYS 607 -21.850 -18.475 20.606 496 HG2 LYS 607 HG2 LYS 607 -24.152 -20.282 19.855 497 HG3 LYS 607 HG1 LYS 607 -22.495 -20.842 19.636 498 HD2 LYS 607 HD2 LYS 607 -22.074 -20.420 22.077 499 HD3 LYS 607 HD1 LYS 607 -23.765 -19.945 22.260 500 HE2 LYS 607 HE2 LYS 607 -22.836 -22.695 21.349 501 HE3 LYS 607 HE1 LYS 607 -23.331 -22.279 22.990 502 HZ1 LYS 607 HZ1 LYS 607 -25.122 -23.316 21.736 503 HZ2 LYS 607 HZ2 LYS 607 -25.063 -22.075 20.588 504 HZ3 LYS 607 HZ3 LYS 607 -25.519 -21.734 22.180 505 H ALA 608 HN ALA 608 -22.724 -16.288 22.023 506 HA ALA 608 HA ALA 608 -24.187 -17.400 24.232 507 HB1 ALA 608 HB1 ALA 608 -22.485 -14.877 24.149 508 HB2 ALA 608 HB2 ALA 608 -21.900 -16.499 24.533 509 HB3 ALA 608 HB3 ALA 608 -23.049 -15.701 25.608 510 H ALA 609 HN ALA 609 -24.443 -14.438 22.300 511 HA ALA 609 HA ALA 609 -26.542 -13.161 23.718 512 HB1 ALA 609 HB1 ALA 609 -25.202 -11.966 22.034 513 HB2 ALA 609 HB2 ALA 609 -26.924 -11.859 21.653 514 HB3 ALA 609 HB3 ALA 609 -25.881 -12.973 20.757 515 H GLN 610 HN GLN 610 -26.514 -15.504 21.048 516 HA GLN 610 HA GLN 610 -29.334 -15.675 20.684 517 HB2 GLN 610 HB2 GLN 610 -27.732 -16.477 18.954 518 HB3 GLN 610 HB1 GLN 610 -27.181 -17.754 20.036 519 HG2 GLN 610 HG2 GLN 610 -29.449 -18.760 19.997 520 HG3 GLN 610 HG1 GLN 610 -29.993 -17.479 18.917 521 HE21 GLN 610 HE21 GLN 610 -29.947 -20.394 18.528 522 HE22 GLN 610 HE22 GLN 610 -29.023 -20.665 17.091 523 H GLU 611 HN GLU 611 -26.993 -17.384 22.714 524 HA GLU 611 HA GLU 611 -28.503 -19.611 23.516 525 HB2 GLU 611 HB2 GLU 611 -25.999 -19.306 23.772 526 HB3 GLU 611 HB1 GLU 611 -26.314 -18.224 25.123 527 HG2 GLU 611 HG2 GLU 611 -25.757 -20.331 26.060 528 HG3 GLU 611 HG1 GLU 611 -27.496 -20.156 26.266 529 H GLN 612 HN GLN 612 -28.047 -16.447 25.096 530 HA GLN 612 HA GLN 612 -29.681 -17.020 27.374 531 HB2 GLN 612 HB2 GLN 612 -29.526 -14.602 27.872 532 HB3 GLN 612 HB1 GLN 612 -27.954 -15.311 27.531 533 HG2 GLN 612 HG2 GLN 612 -27.948 -14.315 25.299 534 HG3 GLN 612 HG1 GLN 612 -29.575 -13.678 25.555 535 HE21 GLN 612 HE21 GLN 612 -28.856 -11.551 25.195 536 HE22 GLN 612 HE22 GLN 612 -27.927 -10.685 26.367 537 H VAL 613 HN VAL 613 -30.318 -15.595 24.197 538 HA VAL 613 HA VAL 613 -33.023 -14.795 24.653 539 HB VAL 613 HB VAL 613 -31.526 -15.411 22.062 540 HG11 VAL 613 HG11 VAL 613 -33.392 -14.293 20.844 541 HG12 VAL 613 HG12 VAL 613 -34.312 -14.204 22.345 542 HG13 VAL 613 HG13 VAL 613 -33.927 -15.777 21.643 543 HG21 VAL 613 HG21 VAL 613 -31.471 -12.952 21.778 544 HG22 VAL 613 HG22 VAL 613 -30.699 -13.425 23.293 545 HG23 VAL 613 HG23 VAL 613 -32.327 -12.747 23.310 546 H LEU 614 HN LEU 614 -31.501 -17.832 23.669 547 HA LEU 614 HA LEU 614 -33.823 -19.258 22.816 548 HB2 LEU 614 HB2 LEU 614 -31.151 -20.273 23.888 549 HB3 LEU 614 HB1 LEU 614 -32.394 -21.324 23.221 550 HG LEU 614 HG LEU 614 -30.946 -19.154 21.660 551 HD11 LEU 614 HD11 LEU 614 -30.497 -22.153 21.595 552 HD12 LEU 614 HD12 LEU 614 -29.407 -20.942 22.279 553 HD13 LEU 614 HD13 LEU 614 -29.726 -20.956 20.547 554 HD21 LEU 614 HD21 LEU 614 -33.199 -19.555 20.792 555 HD22 LEU 614 HD22 LEU 614 -32.870 -21.285 20.673 556 HD23 LEU 614 HD23 LEU 614 -31.977 -20.146 19.663 557 H ASN 615 HN ASN 615 -31.967 -19.222 25.843 558 HA ASN 615 HA ASN 615 -33.545 -20.966 27.395 559 HB2 ASN 615 HB2 ASN 615 -31.193 -20.230 27.919 560 HB3 ASN 615 HB1 ASN 615 -31.808 -18.632 28.335 561 HD21 ASN 615 HD21 ASN 615 -31.041 -18.771 30.475 562 HD22 ASN 615 HD22 ASN 615 -31.764 -19.810 31.650 563 H ALA 616 HN ALA 616 -33.667 -17.458 26.927 564 HA ALA 616 HA ALA 616 -35.709 -16.834 28.815 565 HB1 ALA 616 HB1 ALA 616 -35.818 -14.660 27.644 566 HB2 ALA 616 HB2 ALA 616 -34.841 -15.319 26.326 567 HB3 ALA 616 HB3 ALA 616 -34.146 -15.140 27.937 568 H SER 617 HN SER 617 -35.724 -17.807 25.420 569 HA SER 617 HA SER 617 -38.480 -17.248 24.869 570 HB2 SER 617 HB2 SER 617 -36.739 -17.422 23.078 571 HB3 SER 617 HB1 SER 617 -36.587 -19.150 23.394 572 HG SER 617 HG SER 617 -38.900 -17.774 22.490 573 H ARG 618 HN ARG 618 -36.678 -20.049 26.053 574 HA ARG 618 HA ARG 618 -38.889 -21.920 26.019 575 HB2 ARG 618 HB2 ARG 618 -36.196 -22.071 27.453 576 HB3 ARG 618 HB1 ARG 618 -37.333 -23.406 27.280 577 HG2 ARG 618 HG2 ARG 618 -35.893 -22.013 24.999 578 HG3 ARG 618 HG1 ARG 618 -35.455 -23.572 25.693 579 HD2 ARG 618 HD2 ARG 618 -37.579 -24.530 24.962 580 HD3 ARG 618 HD1 ARG 618 -38.099 -22.962 24.335 581 HE ARG 618 HE ARG 618 -36.192 -23.137 22.745 582 HH11 ARG 618 HH11 ARG 618 -37.463 -26.107 24.133 583 HH12 ARG 618 HH12 ARG 618 -36.991 -27.075 22.779 584 HH21 ARG 618 HH21 ARG 618 -35.574 -24.430 20.977 585 HH22 ARG 618 HH22 ARG 618 -35.933 -26.128 20.983 586 H ALA 619 HN ALA 619 -37.641 -19.533 28.215 587 HA ALA 619 HA ALA 619 -39.214 -20.327 30.511 588 HB1 ALA 619 HB1 ALA 619 -37.135 -19.027 30.803 589 HB2 ALA 619 HB2 ALA 619 -38.517 -18.130 31.431 590 HB3 ALA 619 HB3 ALA 619 -37.817 -17.691 29.868 591 H LYS 620 HN LYS 620 -40.924 -18.922 31.359 592 HA LYS 620 HA LYS 620 -42.502 -17.392 29.380 593 HB2 LYS 620 HB2 LYS 620 -44.591 -18.518 30.191 594 HB3 LYS 620 HB1 LYS 620 -43.503 -19.618 29.354 595 HG2 LYS 620 HG2 LYS 620 -42.715 -20.466 31.569 596 HG3 LYS 620 HG1 LYS 620 -43.894 -19.409 32.357 597 HD2 LYS 620 HD2 LYS 620 -45.746 -20.614 31.280 598 HD3 LYS 620 HD1 LYS 620 -44.607 -21.626 30.383 599 HE2 LYS 620 HE2 LYS 620 -43.797 -22.602 32.506 600 HE3 LYS 620 HE1 LYS 620 -44.905 -21.568 33.412 601 HZ1 LYS 620 HZ1 LYS 620 -46.757 -22.668 32.392 602 HZ2 LYS 620 HZ2 LYS 620 -45.737 -23.819 33.095 603 HZ3 LYS 620 HZ3 LYS 620 -45.731 -23.599 31.421 604 H LYS 621 HN LYS 621 -44.574 -16.539 30.823 605 HA LYS 621 HA LYS 621 -43.369 -14.687 32.667 606 HB2 LYS 621 HB2 LYS 621 -45.161 -14.009 31.071 607 HB3 LYS 621 HB1 LYS 621 -46.298 -15.053 31.919 608 HG2 LYS 621 HG2 LYS 621 -46.599 -12.708 32.573 609 HG3 LYS 621 HG1 LYS 621 -46.081 -13.686 33.952 610 HD2 LYS 621 HD2 LYS 621 -43.750 -12.845 33.645 611 HD3 LYS 621 HD1 LYS 621 -44.291 -11.854 32.286 612 HE2 LYS 621 HE2 LYS 621 -45.787 -10.598 33.828 613 HE3 LYS 621 HE1 LYS 621 -45.203 -11.579 35.176 614 HZ1 LYS 621 HZ1 LYS 621 -43.551 -9.785 33.496 615 HZ2 LYS 621 HZ2 LYS 621 -42.990 -10.720 34.784 616 HZ3 LYS 621 HZ3 LYS 621 -44.079 -9.464 35.066 Start of MODEL 3 1 H PHE 551 HN PHE 551 0.588 -2.255 3.426 2 HA PHE 551 HA PHE 551 1.201 -5.133 3.346 3 HB2 PHE 551 HB2 PHE 551 -0.160 -5.312 5.383 4 HB3 PHE 551 HB1 PHE 551 1.059 -4.066 5.587 5 HD1 PHE 551 HD2 PHE 551 0.358 -1.624 5.537 6 HD2 PHE 551 HD1 PHE 551 -2.523 -4.791 5.565 7 HE1 PHE 551 HE2 PHE 551 -1.388 -0.040 6.248 8 HE2 PHE 551 HE1 PHE 551 -4.257 -3.197 6.274 9 HZ PHE 551 HZ PHE 551 -3.693 -0.826 6.620 10 H THR 552 HN THR 552 -0.314 -6.649 2.728 11 HA THR 552 HA THR 552 -2.702 -5.745 1.270 12 HB THR 552 HB THR 552 -2.748 -8.186 0.498 13 HG1 THR 552 HG1 THR 552 -0.540 -9.198 0.891 14 HG21 THR 552 HG21 THR 552 -0.820 -7.988 -1.044 15 HG22 THR 552 HG22 THR 552 -0.149 -6.694 -0.050 16 HG23 THR 552 HG23 THR 552 -1.670 -6.445 -0.910 17 HA PRO 553 HA PRO 553 -5.237 -7.205 4.761 18 HB2 PRO 553 HB2 PRO 553 -7.699 -7.075 3.670 19 HB3 PRO 553 HB1 PRO 553 -6.732 -5.611 3.921 20 HG2 PRO 553 HG2 PRO 553 -7.133 -7.208 1.389 21 HG3 PRO 553 HG1 PRO 553 -7.194 -5.447 1.611 22 HD2 PRO 553 HD2 PRO 553 -4.976 -6.809 0.668 23 HD3 PRO 553 HD1 PRO 553 -4.887 -5.238 1.495 24 H TRP 554 HN TRP 554 -6.549 -8.975 5.490 25 HA TRP 554 HA TRP 554 -6.069 -11.553 4.553 26 HB2 TRP 554 HB2 TRP 554 -8.231 -10.441 6.372 27 HB3 TRP 554 HB1 TRP 554 -8.200 -12.148 5.957 28 HD1 TRP 554 HD1 TRP 554 -6.253 -9.532 8.009 29 HE1 TRP 554 HE1 TRP 554 -4.742 -10.781 9.672 30 HE3 TRP 554 HE3 TRP 554 -6.959 -14.320 6.330 31 HZ2 TRP 554 HZ2 TRP 554 -3.918 -13.424 10.187 32 HZ3 TRP 554 HZ3 TRP 554 -5.769 -16.156 7.468 33 HH2 TRP 554 HH2 TRP 554 -4.282 -15.713 9.362 34 H THR 555 HN THR 555 -6.574 -12.225 2.586 35 HA THR 555 HA THR 555 -9.099 -11.599 1.278 36 HB THR 555 HB THR 555 -8.193 -12.985 -0.601 37 HG1 THR 555 HG1 THR 555 -5.747 -13.141 0.793 38 HG21 THR 555 HG21 THR 555 -7.653 -10.576 -0.547 39 HG22 THR 555 HG22 THR 555 -6.322 -11.512 -1.227 40 HG23 THR 555 HG23 THR 555 -6.218 -10.915 0.429 41 H THR 556 HN THR 556 -10.383 -13.457 0.330 42 HA THR 556 HA THR 556 -11.456 -15.072 2.353 43 HB THR 556 HB THR 556 -11.716 -15.359 -0.665 44 HG1 THR 556 HG1 THR 556 -12.649 -13.548 1.115 45 HG21 THR 556 HG21 THR 556 -13.883 -16.492 -0.217 46 HG22 THR 556 HG22 THR 556 -13.539 -16.487 1.511 47 HG23 THR 556 HG23 THR 556 -12.531 -17.433 0.411 48 H GLU 557 HN GLU 557 -8.956 -15.763 -0.065 49 HA GLU 557 HA GLU 557 -8.864 -18.582 0.283 50 HB2 GLU 557 HB2 GLU 557 -6.693 -18.527 -0.865 51 HB3 GLU 557 HB1 GLU 557 -7.892 -17.559 -1.714 52 HG2 GLU 557 HG2 GLU 557 -6.895 -15.505 -0.858 53 HG3 GLU 557 HG1 GLU 557 -5.757 -16.423 0.122 54 H GLU 558 HN GLU 558 -6.909 -15.945 1.767 55 HA GLU 558 HA GLU 558 -5.244 -17.628 3.367 56 HB2 GLU 558 HB2 GLU 558 -5.941 -14.673 3.719 57 HB3 GLU 558 HB1 GLU 558 -4.598 -15.504 4.515 58 HG2 GLU 558 HG2 GLU 558 -3.511 -15.898 2.380 59 HG3 GLU 558 HG1 GLU 558 -4.893 -15.237 1.505 60 H GLN 559 HN GLN 559 -8.338 -16.117 3.846 61 HA GLN 559 HA GLN 559 -8.674 -16.413 6.630 62 HB2 GLN 559 HB2 GLN 559 -10.060 -14.866 5.354 63 HB3 GLN 559 HB1 GLN 559 -10.684 -16.167 4.356 64 HG2 GLN 559 HG2 GLN 559 -12.362 -15.422 5.966 65 HG3 GLN 559 HG1 GLN 559 -11.902 -17.093 6.278 66 HE21 GLN 559 HE21 GLN 559 -12.654 -16.949 8.417 67 HE22 GLN 559 HE22 GLN 559 -11.795 -16.084 9.641 68 H LYS 560 HN LYS 560 -9.823 -18.432 3.890 69 HA LYS 560 HA LYS 560 -11.098 -20.399 5.531 70 HB2 LYS 560 HB2 LYS 560 -11.461 -21.671 3.480 71 HB3 LYS 560 HB1 LYS 560 -11.785 -19.968 3.180 72 HG2 LYS 560 HG2 LYS 560 -9.519 -19.773 2.127 73 HG3 LYS 560 HG1 LYS 560 -9.312 -21.516 2.327 74 HD2 LYS 560 HD2 LYS 560 -11.502 -20.172 0.682 75 HD3 LYS 560 HD1 LYS 560 -10.022 -20.872 0.022 76 HE2 LYS 560 HE2 LYS 560 -12.188 -22.405 1.505 77 HE3 LYS 560 HE1 LYS 560 -11.950 -22.391 -0.240 78 HZ1 LYS 560 HZ1 LYS 560 -10.006 -23.413 1.753 79 HZ2 LYS 560 HZ2 LYS 560 -9.785 -23.403 0.079 80 HZ3 LYS 560 HZ3 LYS 560 -11.000 -24.356 0.764 81 H LEU 561 HN LEU 561 -7.883 -20.119 4.110 82 HA LEU 561 HA LEU 561 -6.887 -22.725 4.636 83 HB2 LEU 561 HB2 LEU 561 -5.469 -20.047 4.381 84 HB3 LEU 561 HB1 LEU 561 -4.603 -21.567 4.543 85 HG LEU 561 HG LEU 561 -6.483 -20.907 2.234 86 HD11 LEU 561 HD11 LEU 561 -4.544 -19.424 2.177 87 HD12 LEU 561 HD12 LEU 561 -4.479 -20.589 0.858 88 HD13 LEU 561 HD13 LEU 561 -3.449 -20.807 2.276 89 HD21 LEU 561 HD21 LEU 561 -4.548 -23.222 2.574 90 HD22 LEU 561 HD22 LEU 561 -5.533 -22.887 1.146 91 HD23 LEU 561 HD23 LEU 561 -6.310 -23.313 2.668 92 H LEU 562 HN LEU 562 -7.011 -19.725 6.533 93 HA LEU 562 HA LEU 562 -5.517 -20.636 8.758 94 HB2 LEU 562 HB2 LEU 562 -5.984 -18.222 8.340 95 HB3 LEU 562 HB1 LEU 562 -7.679 -18.498 8.712 96 HG LEU 562 HG LEU 562 -6.963 -19.249 11.039 97 HD11 LEU 562 HD11 LEU 562 -4.630 -19.811 10.613 98 HD12 LEU 562 HD12 LEU 562 -4.764 -18.605 11.888 99 HD13 LEU 562 HD13 LEU 562 -4.257 -18.117 10.270 100 HD21 LEU 562 HD21 LEU 562 -6.683 -16.985 11.926 101 HD22 LEU 562 HD22 LEU 562 -7.928 -17.046 10.681 102 HD23 LEU 562 HD23 LEU 562 -6.338 -16.382 10.303 103 H GLU 563 HN GLU 563 -9.057 -20.404 8.246 104 HA GLU 563 HA GLU 563 -9.935 -21.369 10.717 105 HB2 GLU 563 HB2 GLU 563 -11.272 -21.509 7.994 106 HB3 GLU 563 HB1 GLU 563 -12.097 -21.884 9.510 107 HG2 GLU 563 HG2 GLU 563 -11.687 -19.570 10.290 108 HG3 GLU 563 HG1 GLU 563 -10.881 -19.201 8.762 109 H GLN 564 HN GLN 564 -9.048 -23.143 7.797 110 HA GLN 564 HA GLN 564 -9.739 -25.758 8.682 111 HB2 GLN 564 HB2 GLN 564 -9.300 -25.260 6.290 112 HB3 GLN 564 HB1 GLN 564 -7.626 -24.870 6.666 113 HG2 GLN 564 HG2 GLN 564 -7.716 -27.082 5.680 114 HG3 GLN 564 HG1 GLN 564 -7.254 -27.234 7.375 115 HE21 GLN 564 HE21 GLN 564 -7.963 -29.368 7.574 116 HE22 GLN 564 HE22 GLN 564 -9.630 -29.821 7.503 117 H ALA 565 HN ALA 565 -6.688 -23.924 8.670 118 HA ALA 565 HA ALA 565 -4.972 -25.877 9.729 119 HB1 ALA 565 HB1 ALA 565 -4.653 -22.860 9.795 120 HB2 ALA 565 HB2 ALA 565 -4.199 -23.913 8.455 121 HB3 ALA 565 HB3 ALA 565 -3.359 -24.048 10.002 122 H LEU 566 HN LEU 566 -7.037 -23.554 11.357 123 HA LEU 566 HA LEU 566 -5.850 -23.572 13.937 124 HB2 LEU 566 HB2 LEU 566 -8.706 -22.969 13.083 125 HB3 LEU 566 HB1 LEU 566 -8.060 -22.634 14.685 126 HG LEU 566 HG LEU 566 -7.004 -21.370 12.123 127 HD11 LEU 566 HD11 LEU 566 -8.127 -19.288 12.877 128 HD12 LEU 566 HD12 LEU 566 -8.946 -20.215 14.134 129 HD13 LEU 566 HD13 LEU 566 -9.249 -20.572 12.438 130 HD21 LEU 566 HD21 LEU 566 -6.398 -20.728 15.022 131 HD22 LEU 566 HD22 LEU 566 -5.819 -19.823 13.621 132 HD23 LEU 566 HD23 LEU 566 -5.307 -21.489 13.863 133 H LYS 567 HN LYS 567 -8.159 -25.655 12.338 134 HA LYS 567 HA LYS 567 -8.762 -27.169 14.787 135 HB2 LYS 567 HB2 LYS 567 -10.595 -26.384 13.213 136 HB3 LYS 567 HB1 LYS 567 -9.946 -27.479 11.993 137 HG2 LYS 567 HG2 LYS 567 -10.409 -29.404 13.499 138 HG3 LYS 567 HG1 LYS 567 -11.063 -28.290 14.703 139 HD2 LYS 567 HD2 LYS 567 -12.897 -29.321 13.473 140 HD3 LYS 567 HD1 LYS 567 -12.824 -27.598 13.086 141 HE2 LYS 567 HE2 LYS 567 -11.674 -28.122 10.955 142 HE3 LYS 567 HE1 LYS 567 -11.713 -29.842 11.351 143 HZ1 LYS 567 HZ1 LYS 567 -14.073 -28.107 10.939 144 HZ2 LYS 567 HZ2 LYS 567 -14.117 -29.755 11.319 145 HZ3 LYS 567 HZ3 LYS 567 -13.468 -29.240 9.847 146 H THR 568 HN THR 568 -7.088 -27.429 11.711 147 HA THR 568 HA THR 568 -6.585 -30.237 11.692 148 HB THR 568 HB THR 568 -5.115 -27.980 10.246 149 HG1 THR 568 HG1 THR 568 -7.503 -28.539 9.872 150 HG21 THR 568 HG21 THR 568 -5.073 -30.961 9.649 151 HG22 THR 568 HG22 THR 568 -3.712 -30.013 10.258 152 HG23 THR 568 HG23 THR 568 -4.357 -29.707 8.641 153 H TYR 569 HN TYR 569 -4.919 -27.424 12.969 154 HA TYR 569 HA TYR 569 -2.986 -29.134 14.417 155 HB2 TYR 569 HB2 TYR 569 -2.654 -26.139 13.933 156 HB3 TYR 569 HB1 TYR 569 -1.428 -27.301 14.439 157 HD1 TYR 569 HD2 TYR 569 -1.279 -29.406 12.601 158 HD2 TYR 569 HD1 TYR 569 -2.367 -25.365 11.745 159 HE1 TYR 569 HE2 TYR 569 -0.650 -29.735 10.253 160 HE2 TYR 569 HE1 TYR 569 -1.755 -25.707 9.383 161 HH TYR 569 HH TYR 569 -0.312 -27.172 8.054 162 HA PRO 570 HA PRO 570 -6.146 -27.926 17.553 163 HB2 PRO 570 HB2 PRO 570 -4.464 -29.819 19.196 164 HB3 PRO 570 HB1 PRO 570 -6.222 -29.768 18.987 165 HG2 PRO 570 HG2 PRO 570 -4.787 -31.647 17.757 166 HG3 PRO 570 HG1 PRO 570 -6.137 -30.859 16.905 167 HD2 PRO 570 HD2 PRO 570 -3.168 -30.339 16.654 168 HD3 PRO 570 HD1 PRO 570 -4.399 -30.462 15.376 169 H VAL 571 HN VAL 571 -6.061 -26.979 19.717 170 HA VAL 571 HA VAL 571 -4.052 -24.988 20.015 171 HB VAL 571 HB VAL 571 -6.445 -24.727 20.748 172 HG11 VAL 571 HG11 VAL 571 -5.662 -26.477 23.116 173 HG12 VAL 571 HG12 VAL 571 -6.789 -26.920 21.833 174 HG13 VAL 571 HG13 VAL 571 -7.189 -25.606 22.941 175 HG21 VAL 571 HG21 VAL 571 -4.376 -24.139 22.903 176 HG22 VAL 571 HG22 VAL 571 -5.949 -23.349 22.753 177 HG23 VAL 571 HG23 VAL 571 -4.725 -23.127 21.499 178 H ASN 572 HN ASN 572 -4.360 -28.223 21.223 179 HA ASN 572 HA ASN 572 -2.505 -28.068 23.401 180 HB2 ASN 572 HB2 ASN 572 -3.502 -30.488 21.836 181 HB3 ASN 572 HB1 ASN 572 -2.613 -30.552 23.353 182 HD21 ASN 572 HD21 ASN 572 -4.013 -28.339 24.619 183 HD22 ASN 572 HD22 ASN 572 -5.603 -28.905 24.973 184 H THR 573 HN THR 573 -2.057 -28.032 20.027 185 HA THR 573 HA THR 573 0.554 -29.263 19.924 186 HB THR 573 HB THR 573 -0.774 -27.399 17.898 187 HG1 THR 573 HG1 THR 573 -1.740 -29.623 18.621 188 HG21 THR 573 HG21 THR 573 0.712 -28.483 16.249 189 HG22 THR 573 HG22 THR 573 1.439 -29.452 17.529 190 HG23 THR 573 HG23 THR 573 1.659 -27.702 17.516 191 HA PRO 574 HA PRO 574 2.432 -25.385 21.595 192 HB2 PRO 574 HB2 PRO 574 4.996 -26.297 21.851 193 HB3 PRO 574 HB1 PRO 574 3.714 -26.756 22.985 194 HG2 PRO 574 HG2 PRO 574 4.776 -28.298 20.610 195 HG3 PRO 574 HG1 PRO 574 4.466 -28.878 22.261 196 HD2 PRO 574 HD2 PRO 574 2.694 -29.287 20.242 197 HD3 PRO 574 HD1 PRO 574 2.154 -29.021 21.916 198 H GLU 575 HN GLU 575 3.183 -27.133 18.715 199 HA GLU 575 HA GLU 575 4.657 -24.886 17.485 200 HB2 GLU 575 HB2 GLU 575 4.419 -27.788 16.555 201 HB3 GLU 575 HB1 GLU 575 5.464 -26.547 15.855 202 HG2 GLU 575 HG2 GLU 575 6.774 -26.456 17.933 203 HG3 GLU 575 HG1 GLU 575 5.708 -27.642 18.681 204 H ARG 576 HN ARG 576 1.702 -25.121 17.938 205 HA ARG 576 HA ARG 576 0.161 -25.922 15.772 206 HB2 ARG 576 HB2 ARG 576 -0.705 -25.132 18.031 207 HB3 ARG 576 HB1 ARG 576 -0.380 -23.477 17.524 208 HG2 ARG 576 HG2 ARG 576 -1.997 -23.947 15.550 209 HG3 ARG 576 HG1 ARG 576 -2.464 -25.397 16.447 210 HD2 ARG 576 HD2 ARG 576 -2.887 -23.784 18.439 211 HD3 ARG 576 HD1 ARG 576 -2.798 -22.505 17.219 212 HE ARG 576 HE ARG 576 -4.632 -24.306 16.233 213 HH11 ARG 576 HH11 ARG 576 -4.389 -22.422 19.204 214 HH12 ARG 576 HH12 ARG 576 -6.107 -22.287 19.390 215 HH21 ARG 576 HH21 ARG 576 -6.872 -24.138 16.547 216 HH22 ARG 576 HH22 ARG 576 -7.494 -23.290 17.925 217 H TRP 577 HN TRP 577 1.380 -22.665 16.463 218 HA TRP 577 HA TRP 577 0.368 -21.470 14.079 219 HB2 TRP 577 HB2 TRP 577 2.363 -20.380 16.116 220 HB3 TRP 577 HB1 TRP 577 1.495 -19.429 14.909 221 HD1 TRP 577 HD1 TRP 577 1.119 -20.746 18.407 222 HE1 TRP 577 HE1 TRP 577 -1.254 -20.288 19.276 223 HE3 TRP 577 HE3 TRP 577 -1.086 -19.281 14.026 224 HZ2 TRP 577 HZ2 TRP 577 -3.729 -19.435 18.247 225 HZ3 TRP 577 HZ3 TRP 577 -3.468 -18.666 14.055 226 HH2 TRP 577 HH2 TRP 577 -4.752 -18.745 16.124 227 H LYS 578 HN LYS 578 3.347 -23.021 14.914 228 HA LYS 578 HA LYS 578 5.003 -21.980 12.806 229 HB2 LYS 578 HB2 LYS 578 5.221 -24.521 14.484 230 HB3 LYS 578 HB1 LYS 578 6.424 -24.051 13.294 231 HG2 LYS 578 HG2 LYS 578 7.254 -23.446 15.450 232 HG3 LYS 578 HG1 LYS 578 6.847 -21.956 14.600 233 HD2 LYS 578 HD2 LYS 578 4.714 -21.832 15.901 234 HD3 LYS 578 HD1 LYS 578 5.170 -23.302 16.763 235 HE2 LYS 578 HE2 LYS 578 5.647 -21.323 18.124 236 HE3 LYS 578 HE1 LYS 578 7.154 -22.129 17.683 237 HZ1 LYS 578 HZ1 LYS 578 7.326 -19.740 17.429 238 HZ2 LYS 578 HZ2 LYS 578 6.019 -19.722 16.362 239 HZ3 LYS 578 HZ3 LYS 578 7.457 -20.494 15.921 240 H LYS 579 HN LYS 579 2.783 -24.697 13.139 241 HA LYS 579 HA LYS 579 3.245 -25.803 10.505 242 HB2 LYS 579 HB2 LYS 579 0.987 -26.270 12.495 243 HB3 LYS 579 HB1 LYS 579 1.291 -27.239 11.049 244 HG2 LYS 579 HG2 LYS 579 3.471 -27.933 11.989 245 HG3 LYS 579 HG1 LYS 579 3.149 -26.975 13.438 246 HD2 LYS 579 HD2 LYS 579 1.233 -28.378 13.993 247 HD3 LYS 579 HD1 LYS 579 1.403 -29.273 12.478 248 HE2 LYS 579 HE2 LYS 579 3.666 -30.048 13.281 249 HE3 LYS 579 HE1 LYS 579 3.318 -29.278 14.832 250 HZ1 LYS 579 HZ1 LYS 579 1.699 -31.415 13.572 251 HZ2 LYS 579 HZ2 LYS 579 1.410 -30.711 15.082 252 HZ3 LYS 579 HZ3 LYS 579 2.803 -31.639 14.833 253 H ILE 580 HN ILE 580 0.949 -23.580 12.017 254 HA ILE 580 HA ILE 580 -0.797 -23.185 9.798 255 HB ILE 580 HB ILE 580 -0.217 -21.473 12.253 256 HG12 ILE 580 HG12 ILE 580 -2.588 -23.245 11.518 257 HG13 ILE 580 HG11 ILE 580 -1.318 -23.668 12.651 258 HG21 ILE 580 HG21 ILE 580 -2.227 -20.130 11.758 259 HG22 ILE 580 HG22 ILE 580 -2.407 -20.960 10.211 260 HG23 ILE 580 HG23 ILE 580 -1.002 -19.934 10.502 261 HD11 ILE 580 HD11 ILE 580 -3.341 -21.465 13.002 262 HD12 ILE 580 HD12 ILE 580 -2.079 -21.908 14.155 263 HD13 ILE 580 HD13 ILE 580 -3.365 -23.051 13.773 264 H ALA 581 HN ALA 581 2.311 -21.805 10.673 265 HA ALA 581 HA ALA 581 2.618 -19.818 8.737 266 HB1 ALA 581 HB1 ALA 581 4.288 -20.249 10.506 267 HB2 ALA 581 HB2 ALA 581 5.028 -20.179 8.909 268 HB3 ALA 581 HB3 ALA 581 4.766 -21.742 9.690 269 H GLU 582 HN GLU 582 2.953 -23.314 8.469 270 HA GLU 582 HA GLU 582 3.786 -23.315 5.693 271 HB2 GLU 582 HB2 GLU 582 2.919 -25.618 7.502 272 HB3 GLU 582 HB1 GLU 582 3.685 -25.791 5.921 273 HG2 GLU 582 HG2 GLU 582 5.728 -24.705 6.797 274 HG3 GLU 582 HG1 GLU 582 4.961 -24.534 8.377 275 H ALA 583 HN ALA 583 0.773 -23.080 7.267 276 HA ALA 583 HA ALA 583 -0.754 -24.324 5.045 277 HB1 ALA 583 HB1 ALA 583 -1.284 -25.134 7.315 278 HB2 ALA 583 HB2 ALA 583 -2.663 -24.313 6.591 279 HB3 ALA 583 HB3 ALA 583 -1.699 -23.491 7.822 280 H VAL 584 HN VAL 584 -0.060 -21.243 6.565 281 HA VAL 584 HA VAL 584 -1.938 -19.829 4.763 282 HB VAL 584 HB VAL 584 -1.279 -18.897 7.605 283 HG11 VAL 584 HG11 VAL 584 -3.133 -17.281 7.263 284 HG12 VAL 584 HG12 VAL 584 -3.373 -17.894 5.624 285 HG13 VAL 584 HG13 VAL 584 -1.870 -17.068 6.044 286 HG21 VAL 584 HG21 VAL 584 -3.571 -19.566 8.255 287 HG22 VAL 584 HG22 VAL 584 -2.607 -20.957 7.758 288 HG23 VAL 584 HG23 VAL 584 -3.815 -20.286 6.660 289 HA PRO 585 HA PRO 585 2.194 -17.864 4.030 290 HB2 PRO 585 HB2 PRO 585 2.107 -17.849 1.317 291 HB3 PRO 585 HB1 PRO 585 2.571 -19.298 2.220 292 HG2 PRO 585 HG2 PRO 585 -0.048 -18.632 0.904 293 HG3 PRO 585 HG1 PRO 585 0.797 -20.190 0.989 294 HD2 PRO 585 HD2 PRO 585 -1.331 -19.421 2.645 295 HD3 PRO 585 HD1 PRO 585 -0.179 -20.722 3.008 296 H GLY 586 HN GLY 586 2.595 -15.721 3.437 297 HA2 GLY 586 HA2 GLY 586 2.161 -13.565 2.624 298 HA3 GLY 586 HA1 GLY 586 0.476 -13.987 2.387 299 H ARG 587 HN ARG 587 -0.020 -15.017 4.983 300 HA ARG 587 HA ARG 587 0.018 -12.589 6.658 301 HB2 ARG 587 HB2 ARG 587 -1.602 -15.170 6.947 302 HB3 ARG 587 HB1 ARG 587 -1.731 -13.757 8.002 303 HG2 ARG 587 HG2 ARG 587 -2.361 -13.808 5.031 304 HG3 ARG 587 HG1 ARG 587 -3.551 -13.852 6.337 305 HD2 ARG 587 HD2 ARG 587 -3.211 -11.611 6.907 306 HD3 ARG 587 HD1 ARG 587 -1.575 -11.565 6.240 307 HE ARG 587 HE ARG 587 -4.031 -11.653 4.590 308 HH11 ARG 587 HH11 ARG 587 -0.769 -10.413 5.114 309 HH12 ARG 587 HH12 ARG 587 -0.731 -9.605 3.583 310 HH21 ARG 587 HH21 ARG 587 -3.897 -10.653 2.593 311 HH22 ARG 587 HH22 ARG 587 -2.482 -9.748 2.170 312 H THR 588 HN THR 588 1.138 -12.501 8.515 313 HA THR 588 HA THR 588 2.854 -14.738 9.289 314 HB THR 588 HB THR 588 3.792 -13.056 10.935 315 HG1 THR 588 HG1 THR 588 2.127 -11.215 9.551 316 HG21 THR 588 HG21 THR 588 3.740 -12.124 8.042 317 HG22 THR 588 HG22 THR 588 4.846 -13.327 8.710 318 HG23 THR 588 HG23 THR 588 4.929 -11.656 9.262 319 H LYS 589 HN LYS 589 3.102 -15.008 11.750 320 HA LYS 589 HA LYS 589 0.604 -16.234 12.457 321 HB2 LYS 589 HB2 LYS 589 3.405 -16.333 13.547 322 HB3 LYS 589 HB1 LYS 589 2.095 -16.999 14.505 323 HG2 LYS 589 HG2 LYS 589 3.370 -18.648 13.065 324 HG3 LYS 589 HG1 LYS 589 1.616 -18.692 12.915 325 HD2 LYS 589 HD2 LYS 589 3.110 -17.002 10.921 326 HD3 LYS 589 HD1 LYS 589 3.292 -18.746 10.778 327 HE2 LYS 589 HE2 LYS 589 0.848 -19.007 10.527 328 HE3 LYS 589 HE1 LYS 589 0.619 -17.278 10.769 329 HZ1 LYS 589 HZ1 LYS 589 1.842 -16.856 8.755 330 HZ2 LYS 589 HZ2 LYS 589 0.532 -17.873 8.442 331 HZ3 LYS 589 HZ3 LYS 589 2.094 -18.505 8.515 332 H LYS 590 HN LYS 590 2.344 -13.402 13.565 333 HA LYS 590 HA LYS 590 0.876 -12.825 15.900 334 HB2 LYS 590 HB2 LYS 590 1.530 -10.418 15.432 335 HB3 LYS 590 HB1 LYS 590 2.880 -11.547 15.407 336 HG2 LYS 590 HG2 LYS 590 2.904 -11.542 12.966 337 HG3 LYS 590 HG1 LYS 590 1.478 -10.504 12.919 338 HD2 LYS 590 HD2 LYS 590 2.741 -8.663 13.927 339 HD3 LYS 590 HD1 LYS 590 4.160 -9.700 14.124 340 HE2 LYS 590 HE2 LYS 590 4.389 -8.205 12.167 341 HE3 LYS 590 HE1 LYS 590 4.371 -9.899 11.678 342 HZ1 LYS 590 HZ1 LYS 590 3.004 -8.577 10.225 343 HZ2 LYS 590 HZ2 LYS 590 2.086 -8.013 11.522 344 HZ3 LYS 590 HZ3 LYS 590 2.022 -9.646 11.091 345 H ASP 591 HN ASP 591 0.235 -12.267 12.458 346 HA ASP 591 HA ASP 591 -2.207 -10.797 12.713 347 HB2 ASP 591 HB2 ASP 591 -1.372 -12.551 10.350 348 HB3 ASP 591 HB1 ASP 591 -2.537 -11.227 10.322 349 H CYS 592 HN CYS 592 -1.364 -14.199 12.293 350 HA CYS 592 HA CYS 592 -3.973 -15.223 11.885 351 HB2 CYS 592 HB2 CYS 592 -1.403 -16.619 12.720 352 HB3 CYS 592 HB1 CYS 592 -2.872 -17.452 12.208 353 HG CYS 592 HG CYS 592 -1.700 -15.143 10.068 354 H MET 593 HN MET 593 -2.027 -14.728 14.810 355 HA MET 593 HA MET 593 -3.635 -16.288 16.600 356 HB2 MET 593 HB2 MET 593 -1.652 -14.046 17.178 357 HB3 MET 593 HB1 MET 593 -2.459 -14.971 18.437 358 HG2 MET 593 HG2 MET 593 -1.347 -16.993 17.736 359 HG3 MET 593 HG1 MET 593 -0.648 -16.169 16.339 360 HE1 MET 593 HE1 MET 593 2.632 -16.480 18.253 361 HE2 MET 593 HE2 MET 593 1.854 -16.445 16.671 362 HE3 MET 593 HE3 MET 593 1.397 -17.674 17.855 363 H LYS 594 HN LYS 594 -3.428 -12.824 15.834 364 HA LYS 594 HA LYS 594 -5.460 -11.976 17.630 365 HB2 LYS 594 HB2 LYS 594 -4.395 -10.614 15.119 366 HB3 LYS 594 HB1 LYS 594 -5.447 -9.849 16.311 367 HG2 LYS 594 HG2 LYS 594 -3.644 -10.273 18.042 368 HG3 LYS 594 HG1 LYS 594 -2.599 -10.820 16.733 369 HD2 LYS 594 HD2 LYS 594 -2.083 -8.501 17.273 370 HD3 LYS 594 HD1 LYS 594 -2.802 -8.578 15.661 371 HE2 LYS 594 HE2 LYS 594 -4.974 -7.847 16.586 372 HE3 LYS 594 HE1 LYS 594 -4.286 -7.815 18.212 373 HZ1 LYS 594 HZ1 LYS 594 -3.403 -6.132 15.935 374 HZ2 LYS 594 HZ2 LYS 594 -2.788 -6.078 17.513 375 HZ3 LYS 594 HZ3 LYS 594 -4.388 -5.629 17.213 376 H ARG 595 HN ARG 595 -5.467 -12.933 14.223 377 HA ARG 595 HA ARG 595 -8.135 -12.250 13.584 378 HB2 ARG 595 HB2 ARG 595 -6.315 -12.773 11.917 379 HB3 ARG 595 HB1 ARG 595 -6.433 -14.468 12.363 380 HG2 ARG 595 HG2 ARG 595 -7.623 -14.094 10.288 381 HG3 ARG 595 HG1 ARG 595 -8.792 -14.500 11.550 382 HD2 ARG 595 HD2 ARG 595 -9.376 -12.125 11.798 383 HD3 ARG 595 HD1 ARG 595 -8.161 -11.682 10.589 384 HE ARG 595 HE ARG 595 -9.796 -13.492 9.336 385 HH11 ARG 595 HH11 ARG 595 -10.313 -10.376 10.847 386 HH12 ARG 595 HH12 ARG 595 -11.638 -9.959 9.811 387 HH21 ARG 595 HH21 ARG 595 -11.524 -12.950 7.972 388 HH22 ARG 595 HH22 ARG 595 -12.331 -11.429 8.185 389 H TYR 596 HN TYR 596 -6.679 -15.384 14.466 390 HA TYR 596 HA TYR 596 -8.886 -17.038 14.788 391 HB2 TYR 596 HB2 TYR 596 -6.788 -18.069 14.890 392 HB3 TYR 596 HB1 TYR 596 -6.140 -16.918 16.043 393 HD1 TYR 596 HD2 TYR 596 -8.651 -19.703 15.806 394 HD2 TYR 596 HD1 TYR 596 -5.930 -17.570 18.304 395 HE1 TYR 596 HE2 TYR 596 -9.003 -21.345 17.575 396 HE2 TYR 596 HE1 TYR 596 -6.278 -19.219 20.092 397 HH TYR 596 HH TYR 596 -8.034 -20.872 20.769 398 H LYS 597 HN LYS 597 -7.389 -14.887 17.162 399 HA LYS 597 HA LYS 597 -8.901 -15.428 19.433 400 HB2 LYS 597 HB2 LYS 597 -6.886 -14.069 19.515 401 HB3 LYS 597 HB1 LYS 597 -7.601 -12.858 18.463 402 HG2 LYS 597 HG2 LYS 597 -9.236 -12.297 20.271 403 HG3 LYS 597 HG1 LYS 597 -8.421 -13.462 21.328 404 HD2 LYS 597 HD2 LYS 597 -6.369 -12.161 21.283 405 HD3 LYS 597 HD1 LYS 597 -7.013 -11.101 20.024 406 HE2 LYS 597 HE2 LYS 597 -8.071 -11.304 22.863 407 HE3 LYS 597 HE1 LYS 597 -7.041 -10.014 22.235 408 HZ1 LYS 597 HZ1 LYS 597 -9.241 -9.224 22.151 409 HZ2 LYS 597 HZ2 LYS 597 -9.824 -10.652 21.481 410 HZ3 LYS 597 HZ3 LYS 597 -8.861 -9.625 20.548 411 H GLU 598 HN GLU 598 -9.439 -12.973 16.901 412 HA GLU 598 HA GLU 598 -11.848 -11.937 17.926 413 HB2 GLU 598 HB2 GLU 598 -10.900 -11.905 15.029 414 HB3 GLU 598 HB1 GLU 598 -12.163 -10.883 15.714 415 HG2 GLU 598 HG2 GLU 598 -9.192 -10.795 16.265 416 HG3 GLU 598 HG1 GLU 598 -10.188 -9.562 15.508 417 H LEU 599 HN LEU 599 -11.182 -14.556 15.580 418 HA LEU 599 HA LEU 599 -13.786 -15.093 14.672 419 HB2 LEU 599 HB2 LEU 599 -11.462 -17.022 15.079 420 HB3 LEU 599 HB1 LEU 599 -12.933 -17.440 14.216 421 HG LEU 599 HG LEU 599 -10.913 -15.328 13.352 422 HD11 LEU 599 HD11 LEU 599 -10.353 -16.864 11.514 423 HD12 LEU 599 HD12 LEU 599 -11.452 -18.077 12.181 424 HD13 LEU 599 HD13 LEU 599 -10.020 -17.584 13.088 425 HD21 LEU 599 HD21 LEU 599 -13.415 -16.277 11.920 426 HD22 LEU 599 HD22 LEU 599 -12.197 -15.183 11.259 427 HD23 LEU 599 HD23 LEU 599 -13.159 -14.687 12.646 428 H VAL 600 HN VAL 600 -12.003 -16.313 17.471 429 HA VAL 600 HA VAL 600 -13.970 -18.180 18.359 430 HB VAL 600 HB VAL 600 -11.534 -17.021 19.799 431 HG11 VAL 600 HG11 VAL 600 -13.147 -17.844 21.468 432 HG12 VAL 600 HG12 VAL 600 -11.746 -18.912 21.390 433 HG13 VAL 600 HG13 VAL 600 -13.263 -19.388 20.622 434 HG21 VAL 600 HG21 VAL 600 -10.457 -19.175 19.239 435 HG22 VAL 600 HG22 VAL 600 -10.992 -18.347 17.777 436 HG23 VAL 600 HG23 VAL 600 -11.924 -19.703 18.408 437 H GLU 601 HN GLU 601 -13.179 -14.823 19.259 438 HA GLU 601 HA GLU 601 -14.990 -14.741 21.507 439 HB2 GLU 601 HB2 GLU 601 -13.608 -12.482 19.999 440 HB3 GLU 601 HB1 GLU 601 -14.487 -12.291 21.515 441 HG2 GLU 601 HG2 GLU 601 -12.871 -13.670 22.687 442 HG3 GLU 601 HG1 GLU 601 -12.031 -14.045 21.185 443 H MET 602 HN MET 602 -15.236 -13.887 18.078 444 HA MET 602 HA MET 602 -17.760 -12.522 18.254 445 HB2 MET 602 HB2 MET 602 -16.297 -13.736 15.882 446 HB3 MET 602 HB1 MET 602 -17.849 -12.924 15.725 447 HG2 MET 602 HG2 MET 602 -16.795 -10.840 16.614 448 HG3 MET 602 HG1 MET 602 -15.236 -11.670 16.618 449 HE1 MET 602 HE1 MET 602 -15.530 -13.454 13.873 450 HE2 MET 602 HE2 MET 602 -14.053 -12.595 14.316 451 HE3 MET 602 HE3 MET 602 -14.762 -12.360 12.720 452 H VAL 603 HN VAL 603 -16.766 -15.880 17.649 453 HA VAL 603 HA VAL 603 -19.448 -16.782 17.099 454 HB VAL 603 HB VAL 603 -17.313 -17.907 16.233 455 HG11 VAL 603 HG11 VAL 603 -16.246 -19.652 17.591 456 HG12 VAL 603 HG12 VAL 603 -17.231 -19.186 18.979 457 HG13 VAL 603 HG13 VAL 603 -16.045 -18.060 18.324 458 HG21 VAL 603 HG21 VAL 603 -19.525 -18.933 15.947 459 HG22 VAL 603 HG22 VAL 603 -19.387 -19.701 17.531 460 HG23 VAL 603 HG23 VAL 603 -18.295 -20.172 16.227 461 H LYS 604 HN LYS 604 -17.440 -16.409 19.975 462 HA LYS 604 HA LYS 604 -19.176 -17.692 21.859 463 HB2 LYS 604 HB2 LYS 604 -17.091 -15.496 22.169 464 HB3 LYS 604 HB1 LYS 604 -18.030 -16.081 23.539 465 HG2 LYS 604 HG2 LYS 604 -17.083 -18.333 23.242 466 HG3 LYS 604 HG1 LYS 604 -16.155 -17.765 21.848 467 HD2 LYS 604 HD2 LYS 604 -14.953 -16.153 23.319 468 HD3 LYS 604 HD1 LYS 604 -15.877 -16.739 24.704 469 HE2 LYS 604 HE2 LYS 604 -13.893 -18.339 23.063 470 HE3 LYS 604 HE1 LYS 604 -13.655 -17.736 24.702 471 HZ1 LYS 604 HZ1 LYS 604 -15.469 -19.154 25.432 472 HZ2 LYS 604 HZ2 LYS 604 -14.243 -20.062 24.703 473 HZ3 LYS 604 HZ3 LYS 604 -15.675 -19.743 23.862 474 H ALA 605 HN ALA 605 -18.996 -14.445 20.459 475 HA ALA 605 HA ALA 605 -20.814 -13.100 22.167 476 HB1 ALA 605 HB1 ALA 605 -20.881 -11.373 20.393 477 HB2 ALA 605 HB2 ALA 605 -20.095 -12.488 19.271 478 HB3 ALA 605 HB3 ALA 605 -19.226 -11.910 20.694 479 H LYS 606 HN LYS 606 -21.243 -14.640 18.982 480 HA LYS 606 HA LYS 606 -24.072 -14.327 18.860 481 HB2 LYS 606 HB2 LYS 606 -22.251 -16.267 17.378 482 HB3 LYS 606 HB1 LYS 606 -23.966 -16.037 17.022 483 HG2 LYS 606 HG2 LYS 606 -23.482 -13.628 16.511 484 HG3 LYS 606 HG1 LYS 606 -21.759 -13.964 16.740 485 HD2 LYS 606 HD2 LYS 606 -21.859 -15.634 14.907 486 HD3 LYS 606 HD1 LYS 606 -23.574 -15.278 14.674 487 HE2 LYS 606 HE2 LYS 606 -22.977 -12.937 14.082 488 HE3 LYS 606 HE1 LYS 606 -21.267 -13.343 14.266 489 HZ1 LYS 606 HZ1 LYS 606 -21.892 -13.444 11.973 490 HZ2 LYS 606 HZ2 LYS 606 -23.159 -14.511 12.304 491 HZ3 LYS 606 HZ3 LYS 606 -21.557 -15.011 12.513 492 H LYS 607 HN LYS 607 -21.954 -16.967 19.988 493 HA LYS 607 HA LYS 607 -23.865 -18.929 20.560 494 HB2 LYS 607 HB2 LYS 607 -21.509 -19.476 20.698 495 HB3 LYS 607 HB1 LYS 607 -21.240 -18.281 21.957 496 HG2 LYS 607 HG2 LYS 607 -22.626 -19.653 23.518 497 HG3 LYS 607 HG1 LYS 607 -22.821 -20.865 22.245 498 HD2 LYS 607 HD2 LYS 607 -20.465 -21.389 22.272 499 HD3 LYS 607 HD1 LYS 607 -20.098 -19.985 23.278 500 HE2 LYS 607 HE2 LYS 607 -20.009 -22.035 24.614 501 HE3 LYS 607 HE1 LYS 607 -21.331 -21.005 25.159 502 HZ1 LYS 607 HZ1 LYS 607 -22.882 -22.408 23.983 503 HZ2 LYS 607 HZ2 LYS 607 -21.953 -23.343 25.038 504 HZ3 LYS 607 HZ3 LYS 607 -21.621 -23.364 23.379 505 H ALA 608 HN ALA 608 -22.789 -16.154 22.493 506 HA ALA 608 HA ALA 608 -24.121 -16.742 24.907 507 HB1 ALA 608 HB1 ALA 608 -23.722 -14.373 25.484 508 HB2 ALA 608 HB2 ALA 608 -23.296 -14.034 23.802 509 HB3 ALA 608 HB3 ALA 608 -22.286 -15.110 24.770 510 H ALA 609 HN ALA 609 -25.028 -14.649 22.166 511 HA ALA 609 HA ALA 609 -27.512 -13.723 23.116 512 HB1 ALA 609 HB1 ALA 609 -26.304 -12.680 21.233 513 HB2 ALA 609 HB2 ALA 609 -27.961 -13.085 20.775 514 HB3 ALA 609 HB3 ALA 609 -26.617 -14.098 20.234 515 H GLN 610 HN GLN 610 -26.810 -16.366 20.822 516 HA GLN 610 HA GLN 610 -29.462 -17.227 20.400 517 HB2 GLN 610 HB2 GLN 610 -26.843 -18.750 20.032 518 HB3 GLN 610 HB1 GLN 610 -28.404 -19.279 19.408 519 HG2 GLN 610 HG2 GLN 610 -26.974 -16.722 18.598 520 HG3 GLN 610 HG1 GLN 610 -26.942 -18.228 17.688 521 HE21 GLN 610 HE21 GLN 610 -28.826 -18.884 16.578 522 HE22 GLN 610 HE22 GLN 610 -30.123 -17.790 16.254 523 H GLU 611 HN GLU 611 -27.045 -18.191 22.794 524 HA GLU 611 HA GLU 611 -28.416 -20.565 23.696 525 HB2 GLU 611 HB2 GLU 611 -25.938 -20.331 23.778 526 HB3 GLU 611 HB1 GLU 611 -26.103 -19.025 24.941 527 HG2 GLU 611 HG2 GLU 611 -27.047 -20.615 26.588 528 HG3 GLU 611 HG1 GLU 611 -26.887 -21.915 25.403 529 H GLN 612 HN GLN 612 -28.323 -17.176 24.699 530 HA GLN 612 HA GLN 612 -29.812 -17.530 27.142 531 HB2 GLN 612 HB2 GLN 612 -29.281 -15.070 25.414 532 HB3 GLN 612 HB1 GLN 612 -30.229 -15.002 26.900 533 HG2 GLN 612 HG2 GLN 612 -28.292 -15.794 28.197 534 HG3 GLN 612 HG1 GLN 612 -27.335 -15.906 26.721 535 HE21 GLN 612 HE21 GLN 612 -26.847 -14.279 29.135 536 HE22 GLN 612 HE22 GLN 612 -26.733 -12.648 28.580 537 H VAL 613 HN VAL 613 -30.650 -16.732 23.783 538 HA VAL 613 HA VAL 613 -33.471 -16.549 24.124 539 HB VAL 613 HB VAL 613 -31.825 -17.223 21.634 540 HG11 VAL 613 HG11 VAL 613 -34.784 -16.494 21.790 541 HG12 VAL 613 HG12 VAL 613 -34.119 -18.051 21.294 542 HG13 VAL 613 HG13 VAL 613 -33.848 -16.622 20.298 543 HG21 VAL 613 HG21 VAL 613 -31.348 -14.974 22.544 544 HG22 VAL 613 HG22 VAL 613 -33.066 -14.581 22.523 545 HG23 VAL 613 HG23 VAL 613 -32.205 -14.847 21.006 546 H LEU 614 HN LEU 614 -31.256 -19.245 23.622 547 HA LEU 614 HA LEU 614 -33.159 -21.303 23.100 548 HB2 LEU 614 HB2 LEU 614 -30.810 -21.644 22.520 549 HB3 LEU 614 HB1 LEU 614 -30.312 -21.418 24.186 550 HG LEU 614 HG LEU 614 -31.448 -23.553 24.816 551 HD11 LEU 614 HD11 LEU 614 -32.269 -25.100 23.104 552 HD12 LEU 614 HD12 LEU 614 -32.027 -23.876 21.857 553 HD13 LEU 614 HD13 LEU 614 -33.213 -23.613 23.138 554 HD21 LEU 614 HD21 LEU 614 -29.425 -23.877 22.569 555 HD22 LEU 614 HD22 LEU 614 -29.826 -25.086 23.792 556 HD23 LEU 614 HD23 LEU 614 -29.055 -23.576 24.271 557 H ASN 615 HN ASN 615 -31.450 -20.252 26.046 558 HA ASN 615 HA ASN 615 -32.593 -22.036 27.884 559 HB2 ASN 615 HB2 ASN 615 -30.571 -20.773 28.446 560 HB3 ASN 615 HB1 ASN 615 -31.436 -19.246 28.310 561 HD21 ASN 615 HD21 ASN 615 -31.012 -22.144 30.277 562 HD22 ASN 615 HD22 ASN 615 -31.695 -21.494 31.724 563 H ALA 616 HN ALA 616 -33.610 -18.835 26.802 564 HA ALA 616 HA ALA 616 -35.799 -18.421 28.539 565 HB1 ALA 616 HB1 ALA 616 -35.361 -17.325 25.738 566 HB2 ALA 616 HB2 ALA 616 -34.755 -16.609 27.234 567 HB3 ALA 616 HB3 ALA 616 -36.493 -16.686 26.939 568 H SER 617 HN SER 617 -35.663 -19.678 25.208 569 HA SER 617 HA SER 617 -38.406 -20.175 24.818 570 HB2 SER 617 HB2 SER 617 -36.786 -19.950 22.960 571 HB3 SER 617 HB1 SER 617 -35.994 -21.444 23.451 572 HG SER 617 HG SER 617 -37.528 -22.559 22.542 573 H ARG 618 HN ARG 618 -35.809 -22.143 26.068 574 HA ARG 618 HA ARG 618 -37.142 -24.685 26.046 575 HB2 ARG 618 HB2 ARG 618 -34.662 -24.351 25.839 576 HB3 ARG 618 HB1 ARG 618 -34.624 -23.775 27.498 577 HG2 ARG 618 HG2 ARG 618 -35.299 -26.006 28.307 578 HG3 ARG 618 HG1 ARG 618 -35.398 -26.590 26.640 579 HD2 ARG 618 HD2 ARG 618 -32.994 -26.219 26.331 580 HD3 ARG 618 HD1 ARG 618 -32.876 -25.489 27.938 581 HE ARG 618 HE ARG 618 -33.589 -28.339 27.491 582 HH11 ARG 618 HH11 ARG 618 -31.786 -25.895 29.266 583 HH12 ARG 618 HH12 ARG 618 -31.000 -27.054 30.286 584 HH21 ARG 618 HH21 ARG 618 -32.541 -29.840 28.839 585 HH22 ARG 618 HH22 ARG 618 -31.431 -29.287 30.055 586 H ALA 619 HN ALA 619 -36.800 -22.021 28.287 587 HA ALA 619 HA ALA 619 -37.794 -23.435 30.625 588 HB1 ALA 619 HB1 ALA 619 -37.681 -21.227 31.724 589 HB2 ALA 619 HB2 ALA 619 -37.319 -20.459 30.174 590 HB3 ALA 619 HB3 ALA 619 -36.174 -21.597 30.886 591 H LYS 620 HN LYS 620 -39.060 -20.987 28.326 592 HA LYS 620 HA LYS 620 -41.554 -20.651 29.738 593 HB2 LYS 620 HB2 LYS 620 -42.143 -19.028 28.005 594 HB3 LYS 620 HB1 LYS 620 -40.499 -18.734 28.561 595 HG2 LYS 620 HG2 LYS 620 -39.562 -19.680 26.561 596 HG3 LYS 620 HG1 LYS 620 -41.125 -20.274 26.012 597 HD2 LYS 620 HD2 LYS 620 -40.728 -17.298 26.441 598 HD3 LYS 620 HD1 LYS 620 -40.075 -18.056 24.988 599 HE2 LYS 620 HE2 LYS 620 -42.303 -17.086 24.569 600 HE3 LYS 620 HE1 LYS 620 -42.315 -18.830 24.349 601 HZ1 LYS 620 HZ1 LYS 620 -44.256 -17.974 25.523 602 HZ2 LYS 620 HZ2 LYS 620 -43.272 -17.441 26.787 603 HZ3 LYS 620 HZ3 LYS 620 -43.398 -19.094 26.449 604 H LYS 621 HN LYS 621 -43.598 -21.170 29.018 605 HA LYS 621 HA LYS 621 -43.913 -23.057 26.784 606 HB2 LYS 621 HB2 LYS 621 -45.005 -23.570 28.962 607 HB3 LYS 621 HB1 LYS 621 -45.923 -22.072 28.872 608 HG2 LYS 621 HG2 LYS 621 -47.146 -22.877 26.925 609 HG3 LYS 621 HG1 LYS 621 -46.143 -24.327 26.841 610 HD2 LYS 621 HD2 LYS 621 -47.920 -23.683 29.237 611 HD3 LYS 621 HD1 LYS 621 -48.490 -24.615 27.853 612 HE2 LYS 621 HE2 LYS 621 -47.863 -26.170 29.581 613 HE3 LYS 621 HE1 LYS 621 -46.643 -26.284 28.319 614 HZ1 LYS 621 HZ1 LYS 621 -45.689 -26.281 30.534 615 HZ2 LYS 621 HZ2 LYS 621 -46.370 -24.767 30.850 616 HZ3 LYS 621 HZ3 LYS 621 -45.182 -24.926 29.661 Start of MODEL 4 1 H PHE 551 HN PHE 551 2.096 -5.056 2.350 2 HA PHE 551 HA PHE 551 1.382 -7.848 2.748 3 HB2 PHE 551 HB2 PHE 551 2.216 -6.424 4.651 4 HB3 PHE 551 HB1 PHE 551 0.746 -5.462 4.552 5 HD1 PHE 551 HD2 PHE 551 1.900 -9.011 5.046 6 HD2 PHE 551 HD1 PHE 551 -1.147 -6.119 5.871 7 HE1 PHE 551 HE2 PHE 551 0.784 -10.609 6.552 8 HE2 PHE 551 HE1 PHE 551 -2.256 -7.728 7.375 9 HZ PHE 551 HZ PHE 551 -1.292 -9.971 7.718 10 H THR 552 HN THR 552 -0.352 -8.617 1.788 11 HA THR 552 HA THR 552 -2.605 -7.069 0.894 12 HB THR 552 HB THR 552 -3.469 -9.348 0.159 13 HG1 THR 552 HG1 THR 552 -2.260 -11.156 0.584 14 HG21 THR 552 HG21 THR 552 -0.575 -8.813 -0.637 15 HG22 THR 552 HG22 THR 552 -1.988 -8.045 -1.366 16 HG23 THR 552 HG23 THR 552 -1.745 -9.784 -1.541 17 HA PRO 553 HA PRO 553 -5.238 -7.718 4.572 18 HB2 PRO 553 HB2 PRO 553 -7.733 -7.720 3.462 19 HB3 PRO 553 HB1 PRO 553 -6.758 -6.245 3.575 20 HG2 PRO 553 HG2 PRO 553 -7.059 -8.134 1.225 21 HG3 PRO 553 HG1 PRO 553 -7.222 -6.363 1.248 22 HD2 PRO 553 HD2 PRO 553 -4.936 -7.526 0.445 23 HD3 PRO 553 HD1 PRO 553 -4.900 -6.026 1.398 24 H TRP 554 HN TRP 554 -7.078 -9.234 5.317 25 HA TRP 554 HA TRP 554 -6.431 -11.963 4.743 26 HB2 TRP 554 HB2 TRP 554 -8.540 -10.661 6.495 27 HB3 TRP 554 HB1 TRP 554 -8.479 -12.407 6.272 28 HD1 TRP 554 HD1 TRP 554 -6.632 -9.570 8.071 29 HE1 TRP 554 HE1 TRP 554 -4.892 -10.602 9.666 30 HE3 TRP 554 HE3 TRP 554 -6.921 -14.428 6.540 31 HZ2 TRP 554 HZ2 TRP 554 -3.781 -13.142 10.188 32 HZ3 TRP 554 HZ3 TRP 554 -5.485 -16.099 7.629 33 HH2 TRP 554 HH2 TRP 554 -3.942 -15.467 9.421 34 H THR 555 HN THR 555 -6.739 -12.058 2.540 35 HA THR 555 HA THR 555 -9.166 -11.715 1.131 36 HB THR 555 HB THR 555 -8.051 -13.130 -0.622 37 HG1 THR 555 HG1 THR 555 -5.779 -13.749 0.013 38 HG21 THR 555 HG21 THR 555 -7.469 -10.721 -0.532 39 HG22 THR 555 HG22 THR 555 -6.076 -11.687 -1.019 40 HG23 THR 555 HG23 THR 555 -6.180 -11.067 0.629 41 H THR 556 HN THR 556 -10.356 -13.597 0.067 42 HA THR 556 HA THR 556 -11.665 -15.190 1.924 43 HB THR 556 HB THR 556 -11.427 -15.779 -1.060 44 HG1 THR 556 HG1 THR 556 -12.308 -13.870 -1.227 45 HG21 THR 556 HG21 THR 556 -13.685 -16.734 -0.845 46 HG22 THR 556 HG22 THR 556 -13.689 -16.388 0.885 47 HG23 THR 556 HG23 THR 556 -12.561 -17.575 0.229 48 H GLU 557 HN GLU 557 -9.018 -16.017 -0.253 49 HA GLU 557 HA GLU 557 -8.840 -18.774 0.351 50 HB2 GLU 557 HB2 GLU 557 -6.511 -18.570 -0.728 51 HB3 GLU 557 HB1 GLU 557 -7.914 -18.221 -1.725 52 HG2 GLU 557 HG2 GLU 557 -6.598 -15.884 -0.390 53 HG3 GLU 557 HG1 GLU 557 -5.681 -16.681 -1.670 54 H GLU 558 HN GLU 558 -6.730 -16.032 1.427 55 HA GLU 558 HA GLU 558 -5.039 -17.549 3.096 56 HB2 GLU 558 HB2 GLU 558 -5.675 -14.620 2.847 57 HB3 GLU 558 HB1 GLU 558 -4.910 -15.113 4.349 58 HG2 GLU 558 HG2 GLU 558 -3.256 -14.318 2.749 59 HG3 GLU 558 HG1 GLU 558 -2.996 -16.014 3.150 60 H GLN 559 HN GLN 559 -8.182 -16.140 3.740 61 HA GLN 559 HA GLN 559 -8.011 -16.385 6.606 62 HB2 GLN 559 HB2 GLN 559 -9.436 -14.734 4.985 63 HB3 GLN 559 HB1 GLN 559 -10.669 -15.946 5.281 64 HG2 GLN 559 HG2 GLN 559 -9.219 -14.301 7.379 65 HG3 GLN 559 HG1 GLN 559 -10.875 -14.058 6.819 66 HE21 GLN 559 HE21 GLN 559 -12.471 -15.561 7.436 67 HE22 GLN 559 HE22 GLN 559 -12.252 -16.619 8.785 68 H LYS 560 HN LYS 560 -9.568 -18.258 3.976 69 HA LYS 560 HA LYS 560 -10.909 -20.061 5.796 70 HB2 LYS 560 HB2 LYS 560 -11.588 -21.348 3.857 71 HB3 LYS 560 HB1 LYS 560 -11.821 -19.637 3.525 72 HG2 LYS 560 HG2 LYS 560 -9.716 -19.652 2.176 73 HG3 LYS 560 HG1 LYS 560 -9.570 -21.391 2.454 74 HD2 LYS 560 HD2 LYS 560 -11.941 -20.044 1.074 75 HD3 LYS 560 HD1 LYS 560 -10.580 -20.777 0.221 76 HE2 LYS 560 HE2 LYS 560 -11.160 -22.980 1.110 77 HE3 LYS 560 HE1 LYS 560 -12.431 -22.281 2.112 78 HZ1 LYS 560 HZ1 LYS 560 -13.644 -21.680 0.148 79 HZ2 LYS 560 HZ2 LYS 560 -13.271 -23.329 0.099 80 HZ3 LYS 560 HZ3 LYS 560 -12.398 -22.235 -0.851 81 H LEU 561 HN LEU 561 -7.782 -19.988 4.210 82 HA LEU 561 HA LEU 561 -6.955 -22.672 4.812 83 HB2 LEU 561 HB2 LEU 561 -5.361 -20.143 4.225 84 HB3 LEU 561 HB1 LEU 561 -4.616 -21.724 4.436 85 HG LEU 561 HG LEU 561 -6.616 -21.033 2.241 86 HD11 LEU 561 HD11 LEU 561 -4.714 -21.087 0.691 87 HD12 LEU 561 HD12 LEU 561 -3.599 -21.311 2.042 88 HD13 LEU 561 HD13 LEU 561 -4.526 -19.814 1.896 89 HD21 LEU 561 HD21 LEU 561 -5.989 -23.199 1.261 90 HD22 LEU 561 HD22 LEU 561 -6.687 -23.404 2.866 91 HD23 LEU 561 HD23 LEU 561 -4.940 -23.535 2.641 92 H LEU 562 HN LEU 562 -6.863 -19.568 6.493 93 HA LEU 562 HA LEU 562 -5.191 -20.278 8.671 94 HB2 LEU 562 HB2 LEU 562 -5.701 -17.959 8.007 95 HB3 LEU 562 HB1 LEU 562 -7.375 -18.166 8.453 96 HG LEU 562 HG LEU 562 -5.785 -16.804 10.006 97 HD11 LEU 562 HD11 LEU 562 -7.578 -18.888 11.247 98 HD12 LEU 562 HD12 LEU 562 -8.067 -17.314 10.620 99 HD13 LEU 562 HD13 LEU 562 -7.004 -17.406 12.021 100 HD21 LEU 562 HD21 LEU 562 -5.000 -19.579 10.935 101 HD22 LEU 562 HD22 LEU 562 -4.607 -18.058 11.744 102 HD23 LEU 562 HD23 LEU 562 -3.947 -18.401 10.146 103 H GLU 563 HN GLU 563 -8.748 -20.139 8.403 104 HA GLU 563 HA GLU 563 -9.403 -21.233 10.917 105 HB2 GLU 563 HB2 GLU 563 -10.940 -21.329 8.294 106 HB3 GLU 563 HB1 GLU 563 -11.622 -21.730 9.873 107 HG2 GLU 563 HG2 GLU 563 -11.245 -19.429 10.635 108 HG3 GLU 563 HG1 GLU 563 -10.522 -19.017 9.074 109 H GLN 564 HN GLN 564 -8.863 -22.778 7.776 110 HA GLN 564 HA GLN 564 -9.395 -25.455 8.394 111 HB2 GLN 564 HB2 GLN 564 -9.061 -24.745 6.101 112 HB3 GLN 564 HB1 GLN 564 -7.437 -24.189 6.440 113 HG2 GLN 564 HG2 GLN 564 -8.019 -27.108 6.807 114 HG3 GLN 564 HG1 GLN 564 -7.932 -26.485 5.159 115 HE21 GLN 564 HE21 GLN 564 -5.929 -25.580 4.419 116 HE22 GLN 564 HE22 GLN 564 -4.435 -26.002 5.175 117 H ALA 565 HN ALA 565 -6.415 -23.578 8.715 118 HA ALA 565 HA ALA 565 -4.770 -25.719 9.636 119 HB1 ALA 565 HB1 ALA 565 -3.916 -23.709 8.452 120 HB2 ALA 565 HB2 ALA 565 -3.092 -23.991 9.984 121 HB3 ALA 565 HB3 ALA 565 -4.316 -22.722 9.862 122 H LEU 566 HN LEU 566 -6.826 -23.358 11.283 123 HA LEU 566 HA LEU 566 -5.805 -23.583 13.918 124 HB2 LEU 566 HB2 LEU 566 -8.618 -22.946 12.969 125 HB3 LEU 566 HB1 LEU 566 -8.086 -22.779 14.635 126 HG LEU 566 HG LEU 566 -6.967 -21.196 12.289 127 HD11 LEU 566 HD11 LEU 566 -8.986 -20.429 14.404 128 HD12 LEU 566 HD12 LEU 566 -9.211 -20.468 12.657 129 HD13 LEU 566 HD13 LEU 566 -8.144 -19.267 13.379 130 HD21 LEU 566 HD21 LEU 566 -5.840 -19.833 13.993 131 HD22 LEU 566 HD22 LEU 566 -5.294 -21.507 14.049 132 HD23 LEU 566 HD23 LEU 566 -6.430 -20.909 15.263 133 H LYS 567 HN LYS 567 -8.158 -25.511 12.124 134 HA LYS 567 HA LYS 567 -8.830 -27.121 14.491 135 HB2 LYS 567 HB2 LYS 567 -10.122 -26.884 11.751 136 HB3 LYS 567 HB1 LYS 567 -10.532 -28.194 12.847 137 HG2 LYS 567 HG2 LYS 567 -12.208 -26.483 13.084 138 HG3 LYS 567 HG1 LYS 567 -11.242 -26.515 14.560 139 HD2 LYS 567 HD2 LYS 567 -9.953 -24.532 13.677 140 HD3 LYS 567 HD1 LYS 567 -11.056 -24.477 12.301 141 HE2 LYS 567 HE2 LYS 567 -11.857 -24.129 15.217 142 HE3 LYS 567 HE1 LYS 567 -11.644 -22.822 14.051 143 HZ1 LYS 567 HZ1 LYS 567 -13.965 -23.397 14.315 144 HZ2 LYS 567 HZ2 LYS 567 -13.663 -24.995 13.856 145 HZ3 LYS 567 HZ3 LYS 567 -13.452 -23.742 12.742 146 H THR 568 HN THR 568 -7.017 -27.366 11.497 147 HA THR 568 HA THR 568 -6.648 -30.204 11.503 148 HB THR 568 HB THR 568 -4.932 -28.020 10.238 149 HG1 THR 568 HG1 THR 568 -6.119 -28.493 8.392 150 HG21 THR 568 HG21 THR 568 -4.031 -29.796 8.760 151 HG22 THR 568 HG22 THR 568 -4.911 -31.016 9.681 152 HG23 THR 568 HG23 THR 568 -3.609 -30.102 10.447 153 H TYR 569 HN TYR 569 -4.755 -27.471 12.773 154 HA TYR 569 HA TYR 569 -3.100 -29.299 14.419 155 HB2 TYR 569 HB2 TYR 569 -2.559 -26.318 14.074 156 HB3 TYR 569 HB1 TYR 569 -1.430 -27.590 14.522 157 HD1 TYR 569 HD2 TYR 569 -1.266 -29.540 12.556 158 HD2 TYR 569 HD1 TYR 569 -2.252 -25.423 11.938 159 HE1 TYR 569 HE2 TYR 569 -0.578 -29.726 10.201 160 HE2 TYR 569 HE1 TYR 569 -1.580 -25.626 9.576 161 HH TYR 569 HH TYR 569 -0.004 -27.111 8.232 162 HA PRO 570 HA PRO 570 -6.290 -27.876 17.425 163 HB2 PRO 570 HB2 PRO 570 -5.546 -29.570 19.484 164 HB3 PRO 570 HB1 PRO 570 -6.562 -30.067 18.123 165 HG2 PRO 570 HG2 PRO 570 -3.587 -30.413 18.495 166 HG3 PRO 570 HG1 PRO 570 -4.789 -31.607 17.958 167 HD2 PRO 570 HD2 PRO 570 -3.224 -30.334 16.181 168 HD3 PRO 570 HD1 PRO 570 -4.926 -30.682 15.795 169 H VAL 571 HN VAL 571 -6.245 -27.035 19.666 170 HA VAL 571 HA VAL 571 -4.404 -24.897 19.804 171 HB VAL 571 HB VAL 571 -6.773 -24.771 20.576 172 HG11 VAL 571 HG11 VAL 571 -6.966 -26.934 21.747 173 HG12 VAL 571 HG12 VAL 571 -7.443 -25.608 22.808 174 HG13 VAL 571 HG13 VAL 571 -5.863 -26.373 23.008 175 HG21 VAL 571 HG21 VAL 571 -4.751 -23.949 22.701 176 HG22 VAL 571 HG22 VAL 571 -6.374 -23.276 22.506 177 HG23 VAL 571 HG23 VAL 571 -5.155 -23.030 21.248 178 H ASN 572 HN ASN 572 -4.405 -28.041 21.302 179 HA ASN 572 HA ASN 572 -2.597 -27.531 23.466 180 HB2 ASN 572 HB2 ASN 572 -3.290 -30.169 22.099 181 HB3 ASN 572 HB1 ASN 572 -2.479 -30.013 23.654 182 HD21 ASN 572 HD21 ASN 572 -3.684 -29.334 25.466 183 HD22 ASN 572 HD22 ASN 572 -5.410 -29.371 25.472 184 H THR 573 HN THR 573 -2.147 -28.112 20.071 185 HA THR 573 HA THR 573 0.569 -29.013 20.107 186 HB THR 573 HB THR 573 -0.988 -27.604 17.879 187 HG1 THR 573 HG1 THR 573 -1.804 -29.702 18.800 188 HG21 THR 573 HG21 THR 573 1.452 -27.596 17.424 189 HG22 THR 573 HG22 THR 573 0.609 -28.690 16.323 190 HG23 THR 573 HG23 THR 573 1.518 -29.339 17.693 191 HA PRO 574 HA PRO 574 2.165 -24.791 21.098 192 HB2 PRO 574 HB2 PRO 574 4.798 -25.438 21.390 193 HB3 PRO 574 HB1 PRO 574 3.595 -25.808 22.637 194 HG2 PRO 574 HG2 PRO 574 4.740 -27.622 20.510 195 HG3 PRO 574 HG1 PRO 574 4.491 -27.948 22.238 196 HD2 PRO 574 HD2 PRO 574 2.742 -28.810 20.328 197 HD3 PRO 574 HD1 PRO 574 2.210 -28.373 21.968 198 H GLU 575 HN GLU 575 3.238 -26.989 18.599 199 HA GLU 575 HA GLU 575 4.557 -24.994 16.959 200 HB2 GLU 575 HB2 GLU 575 3.798 -27.888 16.361 201 HB3 GLU 575 HB1 GLU 575 4.748 -26.849 15.300 202 HG2 GLU 575 HG2 GLU 575 6.492 -26.707 17.084 203 HG3 GLU 575 HG1 GLU 575 5.555 -27.857 18.043 204 H ARG 576 HN ARG 576 1.441 -25.110 17.683 205 HA ARG 576 HA ARG 576 -0.124 -25.714 15.476 206 HB2 ARG 576 HB2 ARG 576 -0.949 -24.996 17.804 207 HB3 ARG 576 HB1 ARG 576 -0.641 -23.330 17.318 208 HG2 ARG 576 HG2 ARG 576 -2.268 -23.685 15.394 209 HG3 ARG 576 HG1 ARG 576 -2.658 -25.250 16.115 210 HD2 ARG 576 HD2 ARG 576 -3.199 -23.954 18.264 211 HD3 ARG 576 HD1 ARG 576 -3.110 -22.499 17.263 212 HE ARG 576 HE ARG 576 -4.888 -24.253 16.007 213 HH11 ARG 576 HH11 ARG 576 -4.692 -22.479 19.035 214 HH12 ARG 576 HH12 ARG 576 -6.413 -22.381 19.234 215 HH21 ARG 576 HH21 ARG 576 -7.147 -24.123 16.298 216 HH22 ARG 576 HH22 ARG 576 -7.798 -23.305 17.678 217 H TRP 577 HN TRP 577 1.151 -22.509 16.348 218 HA TRP 577 HA TRP 577 0.226 -21.174 13.997 219 HB2 TRP 577 HB2 TRP 577 2.281 -20.190 16.025 220 HB3 TRP 577 HB1 TRP 577 1.276 -19.201 14.964 221 HD1 TRP 577 HD1 TRP 577 1.288 -20.752 18.386 222 HE1 TRP 577 HE1 TRP 577 -1.010 -20.454 19.505 223 HE3 TRP 577 HE3 TRP 577 -1.385 -19.093 14.351 224 HZ2 TRP 577 HZ2 TRP 577 -3.620 -19.644 18.771 225 HZ3 TRP 577 HZ3 TRP 577 -3.772 -18.584 14.643 226 HH2 TRP 577 HH2 TRP 577 -4.856 -18.855 16.808 227 H LYS 578 HN LYS 578 3.133 -22.845 14.841 228 HA LYS 578 HA LYS 578 4.907 -21.775 12.865 229 HB2 LYS 578 HB2 LYS 578 5.022 -24.553 14.119 230 HB3 LYS 578 HB1 LYS 578 6.353 -23.656 13.386 231 HG2 LYS 578 HG2 LYS 578 4.936 -23.036 16.003 232 HG3 LYS 578 HG1 LYS 578 6.579 -23.655 15.798 233 HD2 LYS 578 HD2 LYS 578 7.191 -21.495 14.658 234 HD3 LYS 578 HD1 LYS 578 5.564 -20.891 15.001 235 HE2 LYS 578 HE2 LYS 578 6.016 -21.184 17.447 236 HE3 LYS 578 HE1 LYS 578 7.662 -21.694 17.057 237 HZ1 LYS 578 HZ1 LYS 578 7.602 -19.386 17.665 238 HZ2 LYS 578 HZ2 LYS 578 6.456 -19.052 16.466 239 HZ3 LYS 578 HZ3 LYS 578 8.018 -19.526 16.032 240 H LYS 579 HN LYS 579 2.682 -24.518 13.015 241 HA LYS 579 HA LYS 579 3.250 -25.491 10.351 242 HB2 LYS 579 HB2 LYS 579 1.018 -26.243 12.286 243 HB3 LYS 579 HB1 LYS 579 1.441 -27.115 10.811 244 HG2 LYS 579 HG2 LYS 579 3.703 -27.562 11.805 245 HG3 LYS 579 HG1 LYS 579 3.142 -26.824 13.307 246 HD2 LYS 579 HD2 LYS 579 1.337 -28.566 13.427 247 HD3 LYS 579 HD1 LYS 579 2.009 -29.319 11.976 248 HE2 LYS 579 HE2 LYS 579 3.376 -29.036 14.680 249 HE3 LYS 579 HE1 LYS 579 2.791 -30.523 13.933 250 HZ1 LYS 579 HZ1 LYS 579 4.437 -30.240 12.181 251 HZ2 LYS 579 HZ2 LYS 579 5.172 -30.311 13.700 252 HZ3 LYS 579 HZ3 LYS 579 5.004 -28.823 12.910 253 H ILE 580 HN ILE 580 1.030 -23.263 11.845 254 HA ILE 580 HA ILE 580 -0.794 -22.953 9.654 255 HB ILE 580 HB ILE 580 -0.122 -21.212 12.065 256 HG12 ILE 580 HG12 ILE 580 -2.569 -22.882 11.368 257 HG13 ILE 580 HG11 ILE 580 -1.324 -23.338 12.506 258 HG21 ILE 580 HG21 ILE 580 -2.294 -20.602 10.033 259 HG22 ILE 580 HG22 ILE 580 -0.835 -19.649 10.314 260 HG23 ILE 580 HG23 ILE 580 -2.063 -19.776 11.574 261 HD11 ILE 580 HD11 ILE 580 -3.253 -21.048 12.811 262 HD12 ILE 580 HD12 ILE 580 -2.019 -21.527 13.980 263 HD13 ILE 580 HD13 ILE 580 -3.349 -22.620 13.601 264 H ALA 581 HN ALA 581 2.356 -21.584 10.468 265 HA ALA 581 HA ALA 581 2.586 -19.675 8.393 266 HB1 ALA 581 HB1 ALA 581 4.220 -19.830 10.227 267 HB2 ALA 581 HB2 ALA 581 5.025 -19.911 8.662 268 HB3 ALA 581 HB3 ALA 581 4.790 -21.386 9.612 269 H GLU 582 HN GLU 582 2.969 -23.170 8.425 270 HA GLU 582 HA GLU 582 3.991 -23.431 5.737 271 HB2 GLU 582 HB2 GLU 582 2.744 -25.583 7.516 272 HB3 GLU 582 HB1 GLU 582 3.784 -25.840 6.111 273 HG2 GLU 582 HG2 GLU 582 4.588 -24.631 8.780 274 HG3 GLU 582 HG1 GLU 582 5.012 -26.233 8.181 275 H ALA 583 HN ALA 583 0.849 -23.669 7.334 276 HA ALA 583 HA ALA 583 -0.538 -24.858 5.088 277 HB1 ALA 583 HB1 ALA 583 -1.624 -23.820 7.731 278 HB2 ALA 583 HB2 ALA 583 -1.088 -25.473 7.416 279 HB3 ALA 583 HB3 ALA 583 -2.496 -24.828 6.569 280 H VAL 584 HN VAL 584 -0.089 -21.621 6.342 281 HA VAL 584 HA VAL 584 -2.083 -20.515 4.455 282 HB VAL 584 HB VAL 584 -1.343 -19.136 7.072 283 HG11 VAL 584 HG11 VAL 584 -3.467 -17.932 6.717 284 HG12 VAL 584 HG12 VAL 584 -3.761 -18.861 5.244 285 HG13 VAL 584 HG13 VAL 584 -2.392 -17.747 5.328 286 HG21 VAL 584 HG21 VAL 584 -2.253 -21.304 7.741 287 HG22 VAL 584 HG22 VAL 584 -3.659 -21.070 6.698 288 HG23 VAL 584 HG23 VAL 584 -3.414 -20.022 8.101 289 HA PRO 585 HA PRO 585 1.939 -18.736 3.134 290 HB2 PRO 585 HB2 PRO 585 0.589 -17.987 0.626 291 HB3 PRO 585 HB1 PRO 585 1.881 -19.161 0.884 292 HG2 PRO 585 HG2 PRO 585 -0.690 -19.861 0.210 293 HG3 PRO 585 HG1 PRO 585 0.413 -20.922 1.106 294 HD2 PRO 585 HD2 PRO 585 -1.839 -19.220 2.146 295 HD3 PRO 585 HD1 PRO 585 -1.334 -20.851 2.630 296 H GLY 586 HN GLY 586 2.725 -16.670 3.143 297 HA2 GLY 586 HA2 GLY 586 2.870 -14.394 2.862 298 HA3 GLY 586 HA1 GLY 586 1.220 -14.382 2.271 299 H ARG 587 HN ARG 587 1.253 -15.867 5.294 300 HA ARG 587 HA ARG 587 0.268 -13.384 6.561 301 HB2 ARG 587 HB2 ARG 587 -0.428 -16.290 7.133 302 HB3 ARG 587 HB1 ARG 587 -0.983 -14.934 8.113 303 HG2 ARG 587 HG2 ARG 587 -1.661 -15.423 5.189 304 HG3 ARG 587 HG1 ARG 587 -2.726 -15.695 6.569 305 HD2 ARG 587 HD2 ARG 587 -3.451 -13.631 5.719 306 HD3 ARG 587 HD1 ARG 587 -2.415 -13.155 7.056 307 HE ARG 587 HE ARG 587 -0.680 -13.033 5.073 308 HH11 ARG 587 HH11 ARG 587 -3.942 -11.826 5.102 309 HH12 ARG 587 HH12 ARG 587 -3.612 -10.558 3.970 310 HH21 ARG 587 HH21 ARG 587 -0.232 -11.402 3.614 311 HH22 ARG 587 HH22 ARG 587 -1.498 -10.328 3.109 312 H THR 588 HN THR 588 0.681 -12.942 8.707 313 HA THR 588 HA THR 588 3.188 -14.086 9.819 314 HB THR 588 HB THR 588 3.150 -12.058 11.308 315 HG1 THR 588 HG1 THR 588 1.488 -10.400 10.488 316 HG21 THR 588 HG21 THR 588 2.869 -11.326 8.360 317 HG22 THR 588 HG22 THR 588 4.356 -11.827 9.165 318 HG23 THR 588 HG23 THR 588 3.593 -10.302 9.610 319 H LYS 589 HN LYS 589 3.224 -14.721 12.054 320 HA LYS 589 HA LYS 589 0.942 -16.286 12.757 321 HB2 LYS 589 HB2 LYS 589 3.627 -15.828 14.080 322 HB3 LYS 589 HB1 LYS 589 2.378 -16.748 14.896 323 HG2 LYS 589 HG2 LYS 589 3.885 -18.295 13.851 324 HG3 LYS 589 HG1 LYS 589 2.342 -18.382 13.006 325 HD2 LYS 589 HD2 LYS 589 4.538 -16.615 11.903 326 HD3 LYS 589 HD1 LYS 589 4.662 -18.357 11.684 327 HE2 LYS 589 HE2 LYS 589 2.533 -18.387 10.446 328 HE3 LYS 589 HE1 LYS 589 2.304 -16.668 10.746 329 HZ1 LYS 589 HZ1 LYS 589 3.167 -17.075 8.537 330 HZ2 LYS 589 HZ2 LYS 589 4.528 -17.845 9.180 331 HZ3 LYS 589 HZ3 LYS 589 4.278 -16.200 9.462 332 H LYS 590 HN LYS 590 2.248 -13.235 13.926 333 HA LYS 590 HA LYS 590 0.630 -12.853 16.185 334 HB2 LYS 590 HB2 LYS 590 1.038 -10.382 15.782 335 HB3 LYS 590 HB1 LYS 590 2.488 -11.377 15.857 336 HG2 LYS 590 HG2 LYS 590 2.738 -11.307 13.441 337 HG3 LYS 590 HG1 LYS 590 1.200 -10.454 13.259 338 HD2 LYS 590 HD2 LYS 590 3.629 -9.345 14.740 339 HD3 LYS 590 HD1 LYS 590 3.227 -8.973 13.058 340 HE2 LYS 590 HE2 LYS 590 1.448 -8.364 15.452 341 HE3 LYS 590 HE1 LYS 590 2.489 -7.196 14.636 342 HZ1 LYS 590 HZ1 LYS 590 0.230 -8.660 13.368 343 HZ2 LYS 590 HZ2 LYS 590 1.214 -7.516 12.615 344 HZ3 LYS 590 HZ3 LYS 590 0.196 -7.051 13.880 345 H ASP 591 HN ASP 591 -0.016 -12.136 12.740 346 HA ASP 591 HA ASP 591 -2.614 -10.968 13.162 347 HB2 ASP 591 HB2 ASP 591 -1.148 -11.952 10.686 348 HB3 ASP 591 HB1 ASP 591 -2.844 -11.471 10.600 349 H CYS 592 HN CYS 592 -1.397 -14.208 12.593 350 HA CYS 592 HA CYS 592 -3.878 -15.497 12.042 351 HB2 CYS 592 HB2 CYS 592 -1.268 -16.622 13.143 352 HB3 CYS 592 HB1 CYS 592 -2.618 -17.605 12.571 353 HG CYS 592 HG CYS 592 -1.522 -15.344 10.358 354 H MET 593 HN MET 593 -2.064 -14.838 15.015 355 HA MET 593 HA MET 593 -3.759 -16.271 16.843 356 HB2 MET 593 HB2 MET 593 -1.730 -14.037 17.317 357 HB3 MET 593 HB1 MET 593 -2.541 -14.911 18.606 358 HG2 MET 593 HG2 MET 593 -1.445 -16.969 17.966 359 HG3 MET 593 HG1 MET 593 -0.736 -16.192 16.547 360 HE1 MET 593 HE1 MET 593 2.551 -16.454 18.503 361 HE2 MET 593 HE2 MET 593 1.791 -16.454 16.909 362 HE3 MET 593 HE3 MET 593 1.325 -17.659 18.117 363 H LYS 594 HN LYS 594 -3.471 -12.903 15.797 364 HA LYS 594 HA LYS 594 -5.453 -11.703 17.393 365 HB2 LYS 594 HB2 LYS 594 -3.860 -10.336 16.123 366 HB3 LYS 594 HB1 LYS 594 -4.476 -10.959 14.601 367 HG2 LYS 594 HG2 LYS 594 -5.291 -8.695 14.972 368 HG3 LYS 594 HG1 LYS 594 -6.641 -9.835 14.997 369 HD2 LYS 594 HD2 LYS 594 -6.536 -9.784 17.525 370 HD3 LYS 594 HD1 LYS 594 -5.310 -8.516 17.405 371 HE2 LYS 594 HE2 LYS 594 -8.188 -8.356 16.429 372 HE3 LYS 594 HE1 LYS 594 -7.510 -7.535 17.834 373 HZ1 LYS 594 HZ1 LYS 594 -7.719 -6.055 15.929 374 HZ2 LYS 594 HZ2 LYS 594 -6.715 -7.057 15.008 375 HZ3 LYS 594 HZ3 LYS 594 -6.093 -6.250 16.357 376 H ARG 595 HN ARG 595 -5.639 -13.093 14.115 377 HA ARG 595 HA ARG 595 -8.353 -12.546 13.608 378 HB2 ARG 595 HB2 ARG 595 -6.742 -13.183 11.813 379 HB3 ARG 595 HB1 ARG 595 -6.651 -14.814 12.469 380 HG2 ARG 595 HG2 ARG 595 -8.105 -14.750 10.507 381 HG3 ARG 595 HG1 ARG 595 -9.038 -15.175 11.947 382 HD2 ARG 595 HD2 ARG 595 -9.705 -12.717 12.094 383 HD3 ARG 595 HD1 ARG 595 -8.960 -12.504 10.501 384 HE ARG 595 HE ARG 595 -10.853 -14.650 10.514 385 HH11 ARG 595 HH11 ARG 595 -10.662 -11.140 10.283 386 HH12 ARG 595 HH12 ARG 595 -12.197 -10.995 9.494 387 HH21 ARG 595 HH21 ARG 595 -12.866 -14.434 9.503 388 HH22 ARG 595 HH22 ARG 595 -13.445 -12.861 9.052 389 H TYR 596 HN TYR 596 -6.783 -15.549 14.722 390 HA TYR 596 HA TYR 596 -8.992 -17.175 15.197 391 HB2 TYR 596 HB2 TYR 596 -6.822 -18.150 15.275 392 HB3 TYR 596 HB1 TYR 596 -6.258 -17.038 16.510 393 HD1 TYR 596 HD2 TYR 596 -8.775 -19.797 16.027 394 HD2 TYR 596 HD1 TYR 596 -6.178 -17.799 18.749 395 HE1 TYR 596 HE2 TYR 596 -9.254 -21.502 17.712 396 HE2 TYR 596 HE1 TYR 596 -6.660 -19.501 20.452 397 HH TYR 596 HH TYR 596 -8.499 -21.167 20.953 398 H LYS 597 HN LYS 597 -7.459 -14.813 17.365 399 HA LYS 597 HA LYS 597 -8.931 -15.267 19.707 400 HB2 LYS 597 HB2 LYS 597 -6.945 -13.817 19.681 401 HB3 LYS 597 HB1 LYS 597 -7.762 -12.662 18.635 402 HG2 LYS 597 HG2 LYS 597 -9.392 -12.203 20.487 403 HG3 LYS 597 HG1 LYS 597 -8.465 -13.294 21.525 404 HD2 LYS 597 HD2 LYS 597 -6.498 -11.831 21.350 405 HD3 LYS 597 HD1 LYS 597 -7.353 -10.777 20.215 406 HE2 LYS 597 HE2 LYS 597 -7.323 -9.803 22.476 407 HE3 LYS 597 HE1 LYS 597 -8.971 -10.174 21.975 408 HZ1 LYS 597 HZ1 LYS 597 -7.294 -11.799 23.815 409 HZ2 LYS 597 HZ2 LYS 597 -8.859 -12.196 23.313 410 HZ3 LYS 597 HZ3 LYS 597 -8.600 -10.814 24.250 411 H GLU 598 HN GLU 598 -9.557 -13.025 17.006 412 HA GLU 598 HA GLU 598 -11.967 -11.948 18.017 413 HB2 GLU 598 HB2 GLU 598 -11.098 -12.092 15.100 414 HB3 GLU 598 HB1 GLU 598 -12.306 -11.001 15.782 415 HG2 GLU 598 HG2 GLU 598 -9.306 -10.954 16.136 416 HG3 GLU 598 HG1 GLU 598 -10.346 -9.704 15.470 417 H LEU 599 HN LEU 599 -11.287 -14.722 15.884 418 HA LEU 599 HA LEU 599 -13.915 -15.308 15.048 419 HB2 LEU 599 HB2 LEU 599 -11.607 -17.250 15.488 420 HB3 LEU 599 HB1 LEU 599 -13.086 -17.633 14.618 421 HG LEU 599 HG LEU 599 -10.934 -15.664 13.763 422 HD11 LEU 599 HD11 LEU 599 -11.801 -18.267 12.487 423 HD12 LEU 599 HD12 LEU 599 -10.309 -17.986 13.393 424 HD13 LEU 599 HD13 LEU 599 -10.578 -17.152 11.864 425 HD21 LEU 599 HD21 LEU 599 -13.561 -16.251 12.372 426 HD22 LEU 599 HD22 LEU 599 -12.232 -15.291 11.711 427 HD23 LEU 599 HD23 LEU 599 -13.090 -14.733 13.144 428 H VAL 600 HN VAL 600 -12.037 -16.489 17.824 429 HA VAL 600 HA VAL 600 -14.035 -18.229 18.873 430 HB VAL 600 HB VAL 600 -11.627 -16.985 20.296 431 HG11 VAL 600 HG11 VAL 600 -13.266 -17.829 21.926 432 HG12 VAL 600 HG12 VAL 600 -11.826 -18.842 21.921 433 HG13 VAL 600 HG13 VAL 600 -13.297 -19.397 21.114 434 HG21 VAL 600 HG21 VAL 600 -11.889 -19.693 18.931 435 HG22 VAL 600 HG22 VAL 600 -10.478 -19.126 19.833 436 HG23 VAL 600 HG23 VAL 600 -10.954 -18.319 18.338 437 H GLU 601 HN GLU 601 -13.076 -14.870 19.724 438 HA GLU 601 HA GLU 601 -14.845 -14.707 21.962 439 HB2 GLU 601 HB2 GLU 601 -13.433 -12.464 20.468 440 HB3 GLU 601 HB1 GLU 601 -14.257 -12.297 22.020 441 HG2 GLU 601 HG2 GLU 601 -11.753 -13.906 21.436 442 HG3 GLU 601 HG1 GLU 601 -11.873 -12.434 22.388 443 H MET 602 HN MET 602 -15.224 -13.872 18.531 444 HA MET 602 HA MET 602 -17.675 -12.419 18.808 445 HB2 MET 602 HB2 MET 602 -16.398 -13.840 16.450 446 HB3 MET 602 HB1 MET 602 -18.007 -13.145 16.316 447 HG2 MET 602 HG2 MET 602 -17.054 -10.921 16.902 448 HG3 MET 602 HG1 MET 602 -15.443 -11.647 16.906 449 HE1 MET 602 HE1 MET 602 -15.089 -12.717 13.099 450 HE2 MET 602 HE2 MET 602 -15.722 -13.728 14.394 451 HE3 MET 602 HE3 MET 602 -14.305 -12.717 14.681 452 H VAL 603 HN VAL 603 -16.921 -15.861 18.128 453 HA VAL 603 HA VAL 603 -19.679 -16.614 17.874 454 HB VAL 603 HB VAL 603 -18.945 -18.909 17.709 455 HG11 VAL 603 HG11 VAL 603 -17.362 -18.769 15.807 456 HG12 VAL 603 HG12 VAL 603 -17.025 -17.087 16.224 457 HG13 VAL 603 HG13 VAL 603 -18.643 -17.559 15.702 458 HG21 VAL 603 HG21 VAL 603 -16.170 -18.033 18.598 459 HG22 VAL 603 HG22 VAL 603 -16.595 -19.646 18.016 460 HG23 VAL 603 HG23 VAL 603 -17.290 -19.039 19.520 461 H LYS 604 HN LYS 604 -17.450 -16.394 20.565 462 HA LYS 604 HA LYS 604 -18.945 -17.861 22.506 463 HB2 LYS 604 HB2 LYS 604 -16.830 -15.691 22.718 464 HB3 LYS 604 HB1 LYS 604 -17.604 -16.342 24.158 465 HG2 LYS 604 HG2 LYS 604 -16.721 -18.548 23.715 466 HG3 LYS 604 HG1 LYS 604 -16.101 -18.031 22.148 467 HD2 LYS 604 HD2 LYS 604 -14.295 -18.161 23.796 468 HD3 LYS 604 HD1 LYS 604 -14.520 -16.507 23.235 469 HE2 LYS 604 HE2 LYS 604 -15.797 -16.016 25.324 470 HE3 LYS 604 HE1 LYS 604 -15.460 -17.654 25.889 471 HZ1 LYS 604 HZ1 LYS 604 -13.902 -16.092 26.819 472 HZ2 LYS 604 HZ2 LYS 604 -13.454 -15.555 25.278 473 HZ3 LYS 604 HZ3 LYS 604 -13.088 -17.134 25.763 474 H ALA 605 HN ALA 605 -18.704 -14.362 21.781 475 HA ALA 605 HA ALA 605 -20.633 -13.469 23.660 476 HB1 ALA 605 HB1 ALA 605 -19.748 -12.122 21.080 477 HB2 ALA 605 HB2 ALA 605 -18.953 -11.968 22.647 478 HB3 ALA 605 HB3 ALA 605 -20.585 -11.338 22.432 479 H LYS 606 HN LYS 606 -20.875 -14.592 20.365 480 HA LYS 606 HA LYS 606 -23.541 -13.784 19.772 481 HB2 LYS 606 HB2 LYS 606 -21.777 -14.381 18.088 482 HB3 LYS 606 HB1 LYS 606 -21.891 -16.063 18.592 483 HG2 LYS 606 HG2 LYS 606 -24.235 -16.134 17.794 484 HG3 LYS 606 HG1 LYS 606 -24.113 -14.443 17.294 485 HD2 LYS 606 HD2 LYS 606 -22.469 -16.762 16.182 486 HD3 LYS 606 HD1 LYS 606 -23.825 -15.973 15.373 487 HE2 LYS 606 HE2 LYS 606 -21.188 -14.642 16.110 488 HE3 LYS 606 HE1 LYS 606 -21.660 -15.174 14.496 489 HZ1 LYS 606 HZ1 LYS 606 -22.009 -12.806 14.798 490 HZ2 LYS 606 HZ2 LYS 606 -23.059 -13.095 16.089 491 HZ3 LYS 606 HZ3 LYS 606 -23.476 -13.600 14.530 492 H LYS 607 HN LYS 607 -22.157 -16.995 20.638 493 HA LYS 607 HA LYS 607 -24.601 -18.367 20.944 494 HB2 LYS 607 HB2 LYS 607 -21.828 -18.909 22.052 495 HB3 LYS 607 HB1 LYS 607 -23.184 -19.981 22.398 496 HG2 LYS 607 HG2 LYS 607 -22.175 -19.307 19.618 497 HG3 LYS 607 HG1 LYS 607 -21.762 -20.768 20.523 498 HD2 LYS 607 HD2 LYS 607 -24.176 -21.408 20.550 499 HD3 LYS 607 HD1 LYS 607 -24.563 -19.959 19.614 500 HE2 LYS 607 HE2 LYS 607 -22.798 -22.258 18.682 501 HE3 LYS 607 HE1 LYS 607 -24.464 -21.956 18.179 502 HZ1 LYS 607 HZ1 LYS 607 -23.761 -19.869 17.200 503 HZ2 LYS 607 HZ2 LYS 607 -22.863 -21.152 16.555 504 HZ3 LYS 607 HZ3 LYS 607 -22.166 -20.131 17.709 505 H ALA 608 HN ALA 608 -22.721 -16.442 23.241 506 HA ALA 608 HA ALA 608 -24.150 -17.157 25.605 507 HB1 ALA 608 HB1 ALA 608 -23.040 -15.206 26.635 508 HB2 ALA 608 HB2 ALA 608 -22.510 -14.654 25.040 509 HB3 ALA 608 HB3 ALA 608 -21.891 -16.168 25.704 510 H ALA 609 HN ALA 609 -24.511 -14.580 23.195 511 HA ALA 609 HA ALA 609 -26.473 -13.026 24.551 512 HB1 ALA 609 HB1 ALA 609 -25.888 -13.201 21.574 513 HB2 ALA 609 HB2 ALA 609 -25.096 -12.121 22.722 514 HB3 ALA 609 HB3 ALA 609 -26.814 -11.920 22.376 515 H GLN 610 HN GLN 610 -26.748 -15.373 21.884 516 HA GLN 610 HA GLN 610 -29.588 -15.450 21.813 517 HB2 GLN 610 HB2 GLN 610 -27.422 -17.201 20.627 518 HB3 GLN 610 HB1 GLN 610 -29.099 -17.708 20.528 519 HG2 GLN 610 HG2 GLN 610 -28.512 -16.624 18.474 520 HG3 GLN 610 HG1 GLN 610 -29.657 -15.598 19.336 521 HE21 GLN 610 HE21 GLN 610 -28.871 -13.635 20.279 522 HE22 GLN 610 HE22 GLN 610 -27.413 -12.897 19.718 523 H GLU 611 HN GLU 611 -27.205 -17.192 23.723 524 HA GLU 611 HA GLU 611 -28.893 -19.286 24.665 525 HB2 GLU 611 HB2 GLU 611 -26.387 -19.301 24.916 526 HB3 GLU 611 HB1 GLU 611 -26.522 -18.052 26.142 527 HG2 GLU 611 HG2 GLU 611 -26.231 -20.172 27.243 528 HG3 GLU 611 HG1 GLU 611 -27.884 -19.626 27.537 529 H GLN 612 HN GLN 612 -28.181 -15.983 25.812 530 HA GLN 612 HA GLN 612 -29.644 -16.210 28.249 531 HB2 GLN 612 HB2 GLN 612 -28.732 -13.721 26.755 532 HB3 GLN 612 HB1 GLN 612 -29.507 -13.690 28.338 533 HG2 GLN 612 HG2 GLN 612 -26.815 -14.883 27.633 534 HG3 GLN 612 HG1 GLN 612 -27.134 -13.481 28.647 535 HE21 GLN 612 HE21 GLN 612 -29.339 -14.788 30.125 536 HE22 GLN 612 HE22 GLN 612 -28.589 -15.937 31.172 537 H VAL 613 HN VAL 613 -30.618 -15.428 24.964 538 HA VAL 613 HA VAL 613 -33.218 -14.400 25.672 539 HB VAL 613 HB VAL 613 -32.379 -15.682 23.024 540 HG11 VAL 613 HG11 VAL 613 -34.278 -14.403 22.057 541 HG12 VAL 613 HG12 VAL 613 -34.718 -13.829 23.666 542 HG13 VAL 613 HG13 VAL 613 -34.832 -15.549 23.283 543 HG21 VAL 613 HG21 VAL 613 -32.292 -12.749 23.845 544 HG22 VAL 613 HG22 VAL 613 -32.003 -13.359 22.213 545 HG23 VAL 613 HG23 VAL 613 -30.901 -13.788 23.521 546 H LEU 614 HN LEU 614 -32.081 -17.539 24.377 547 HA LEU 614 HA LEU 614 -34.536 -18.923 24.539 548 HB2 LEU 614 HB2 LEU 614 -31.658 -19.756 24.197 549 HB3 LEU 614 HB1 LEU 614 -32.816 -21.006 24.598 550 HG LEU 614 HG LEU 614 -32.443 -20.965 22.197 551 HD11 LEU 614 HD11 LEU 614 -34.662 -21.589 22.991 552 HD12 LEU 614 HD12 LEU 614 -34.736 -20.816 21.410 553 HD13 LEU 614 HD13 LEU 614 -35.201 -19.911 22.855 554 HD21 LEU 614 HD21 LEU 614 -33.059 -19.049 20.785 555 HD22 LEU 614 HD22 LEU 614 -31.754 -18.646 21.896 556 HD23 LEU 614 HD23 LEU 614 -33.393 -18.084 22.229 557 H ASN 615 HN ASN 615 -32.024 -18.405 26.935 558 HA ASN 615 HA ASN 615 -32.932 -20.425 28.777 559 HB2 ASN 615 HB2 ASN 615 -30.569 -19.787 28.809 560 HB3 ASN 615 HB1 ASN 615 -30.983 -18.111 29.139 561 HD21 ASN 615 HD21 ASN 615 -30.890 -21.363 30.485 562 HD22 ASN 615 HD22 ASN 615 -30.934 -20.883 32.142 563 H ALA 616 HN ALA 616 -33.113 -16.850 28.625 564 HA ALA 616 HA ALA 616 -34.377 -16.469 31.123 565 HB1 ALA 616 HB1 ALA 616 -34.852 -14.184 30.348 566 HB2 ALA 616 HB2 ALA 616 -34.454 -14.649 28.690 567 HB3 ALA 616 HB3 ALA 616 -33.205 -14.664 29.936 568 H SER 617 HN SER 617 -35.748 -16.637 27.845 569 HA SER 617 HA SER 617 -38.450 -16.141 28.584 570 HB2 SER 617 HB2 SER 617 -38.948 -16.865 26.235 571 HB3 SER 617 HB1 SER 617 -37.627 -15.699 26.316 572 HG SER 617 HG SER 617 -36.447 -17.129 25.350 573 H ARG 618 HN ARG 618 -36.525 -19.080 28.336 574 HA ARG 618 HA ARG 618 -38.769 -20.911 28.623 575 HB2 ARG 618 HB2 ARG 618 -36.792 -21.487 27.251 576 HB3 ARG 618 HB1 ARG 618 -35.761 -21.397 28.673 577 HG2 ARG 618 HG2 ARG 618 -36.937 -23.346 29.647 578 HG3 ARG 618 HG1 ARG 618 -37.991 -23.419 28.228 579 HD2 ARG 618 HD2 ARG 618 -36.170 -25.073 28.082 580 HD3 ARG 618 HD1 ARG 618 -36.048 -23.878 26.786 581 HE ARG 618 HE ARG 618 -34.437 -23.640 29.259 582 HH11 ARG 618 HH11 ARG 618 -34.538 -23.865 25.755 583 HH12 ARG 618 HH12 ARG 618 -32.842 -23.581 25.573 584 HH21 ARG 618 HH21 ARG 618 -32.236 -23.252 29.014 585 HH22 ARG 618 HH22 ARG 618 -31.526 -23.247 27.432 586 H ALA 619 HN ALA 619 -36.514 -19.259 30.721 587 HA ALA 619 HA ALA 619 -36.753 -21.040 32.992 588 HB1 ALA 619 HB1 ALA 619 -35.574 -18.231 32.859 589 HB2 ALA 619 HB2 ALA 619 -34.677 -19.736 32.638 590 HB3 ALA 619 HB3 ALA 619 -35.407 -19.371 34.202 591 H LYS 620 HN LYS 620 -38.970 -21.160 33.262 592 HA LYS 620 HA LYS 620 -40.604 -18.811 33.721 593 HB2 LYS 620 HB2 LYS 620 -41.278 -21.783 33.880 594 HB3 LYS 620 HB1 LYS 620 -42.455 -20.468 33.924 595 HG2 LYS 620 HG2 LYS 620 -41.955 -19.853 31.636 596 HG3 LYS 620 HG1 LYS 620 -40.573 -20.953 31.587 597 HD2 LYS 620 HD2 LYS 620 -42.172 -22.879 31.871 598 HD3 LYS 620 HD1 LYS 620 -43.515 -21.734 31.753 599 HE2 LYS 620 HE2 LYS 620 -42.841 -21.138 29.469 600 HE3 LYS 620 HE1 LYS 620 -41.415 -22.175 29.589 601 HZ1 LYS 620 HZ1 LYS 620 -44.232 -23.107 29.721 602 HZ2 LYS 620 HZ2 LYS 620 -42.851 -24.087 29.774 603 HZ3 LYS 620 HZ3 LYS 620 -43.219 -23.221 28.369 604 H LYS 621 HN LYS 621 -40.548 -21.798 35.693 605 HA LYS 621 HA LYS 621 -39.801 -20.307 38.113 606 HB2 LYS 621 HB2 LYS 621 -42.378 -21.927 37.822 607 HB3 LYS 621 HB1 LYS 621 -41.679 -21.523 39.386 608 HG2 LYS 621 HG2 LYS 621 -42.685 -19.541 37.310 609 HG3 LYS 621 HG1 LYS 621 -43.494 -19.978 38.823 610 HD2 LYS 621 HD2 LYS 621 -41.637 -19.014 40.123 611 HD3 LYS 621 HD1 LYS 621 -40.750 -18.649 38.640 612 HE2 LYS 621 HE2 LYS 621 -42.581 -17.083 37.983 613 HE3 LYS 621 HE1 LYS 621 -43.382 -17.411 39.522 614 HZ1 LYS 621 HZ1 LYS 621 -40.670 -16.246 39.212 615 HZ2 LYS 621 HZ2 LYS 621 -41.469 -16.514 40.675 616 HZ3 LYS 621 HZ3 LYS 621 -42.073 -15.380 39.576 Start of MODEL 5 1 H PHE 551 HN PHE 551 -0.070 -3.593 0.162 2 HA PHE 551 HA PHE 551 0.055 -6.315 1.297 3 HB2 PHE 551 HB2 PHE 551 0.915 -4.462 2.739 4 HB3 PHE 551 HB1 PHE 551 -0.667 -3.691 2.690 5 HD1 PHE 551 HD2 PHE 551 1.080 -6.827 3.761 6 HD2 PHE 551 HD1 PHE 551 -2.359 -4.334 4.283 7 HE1 PHE 551 HE2 PHE 551 0.368 -8.206 5.670 8 HE2 PHE 551 HE1 PHE 551 -3.065 -5.726 6.191 9 HZ PHE 551 HZ PHE 551 -1.703 -7.662 6.884 10 H THR 552 HN THR 552 -1.648 -7.457 0.563 11 HA THR 552 HA THR 552 -4.341 -6.385 0.335 12 HB THR 552 HB THR 552 -4.907 -8.878 -0.081 13 HG1 THR 552 HG1 THR 552 -2.638 -9.868 -0.746 14 HG21 THR 552 HG21 THR 552 -4.586 -7.344 -1.981 15 HG22 THR 552 HG22 THR 552 -3.923 -8.939 -2.348 16 HG23 THR 552 HG23 THR 552 -2.843 -7.610 -1.919 17 HA PRO 553 HA PRO 553 -5.685 -7.828 4.527 18 HB2 PRO 553 HB2 PRO 553 -8.394 -8.096 3.275 19 HB3 PRO 553 HB1 PRO 553 -7.892 -7.121 4.662 20 HG2 PRO 553 HG2 PRO 553 -8.501 -5.967 2.318 21 HG3 PRO 553 HG1 PRO 553 -7.177 -5.342 3.328 22 HD2 PRO 553 HD2 PRO 553 -7.020 -7.118 0.887 23 HD3 PRO 553 HD1 PRO 553 -6.048 -5.685 1.298 24 H TRP 554 HN TRP 554 -7.161 -9.779 5.275 25 HA TRP 554 HA TRP 554 -6.253 -12.237 4.201 26 HB2 TRP 554 HB2 TRP 554 -8.587 -11.614 6.062 27 HB3 TRP 554 HB1 TRP 554 -8.078 -13.250 5.662 28 HD1 TRP 554 HD1 TRP 554 -7.056 -10.232 7.794 29 HE1 TRP 554 HE1 TRP 554 -5.244 -10.989 9.456 30 HE3 TRP 554 HE3 TRP 554 -6.141 -14.900 5.921 31 HZ2 TRP 554 HZ2 TRP 554 -3.622 -13.257 9.898 32 HZ3 TRP 554 HZ3 TRP 554 -4.444 -16.302 7.020 33 HH2 TRP 554 HH2 TRP 554 -3.208 -15.497 8.972 34 H THR 555 HN THR 555 -6.757 -12.837 2.192 35 HA THR 555 HA THR 555 -9.225 -12.255 0.830 36 HB THR 555 HB THR 555 -8.304 -13.622 -1.000 37 HG1 THR 555 HG1 THR 555 -5.902 -14.287 0.043 38 HG21 THR 555 HG21 THR 555 -6.167 -12.458 -1.403 39 HG22 THR 555 HG22 THR 555 -6.101 -11.958 0.286 40 HG23 THR 555 HG23 THR 555 -7.374 -11.335 -0.768 41 H THR 556 HN THR 556 -10.562 -14.130 -0.135 42 HA THR 556 HA THR 556 -11.774 -15.634 1.910 43 HB THR 556 HB THR 556 -11.932 -16.065 -1.110 44 HG1 THR 556 HG1 THR 556 -13.320 -14.360 0.696 45 HG21 THR 556 HG21 THR 556 -13.881 -16.920 1.071 46 HG22 THR 556 HG22 THR 556 -12.888 -18.002 0.091 47 HG23 THR 556 HG23 THR 556 -14.168 -17.054 -0.668 48 H GLU 557 HN GLU 557 -9.293 -16.497 -0.459 49 HA GLU 557 HA GLU 557 -9.281 -19.314 0.086 50 HB2 GLU 557 HB2 GLU 557 -7.248 -19.366 -1.356 51 HB3 GLU 557 HB1 GLU 557 -8.624 -18.566 -2.108 52 HG2 GLU 557 HG2 GLU 557 -7.596 -16.361 -1.472 53 HG3 GLU 557 HG1 GLU 557 -6.173 -17.240 -0.909 54 H GLU 558 HN GLU 558 -7.143 -16.600 1.113 55 HA GLU 558 HA GLU 558 -5.323 -18.307 2.563 56 HB2 GLU 558 HB2 GLU 558 -5.695 -15.279 2.596 57 HB3 GLU 558 HB1 GLU 558 -4.403 -16.121 3.455 58 HG2 GLU 558 HG2 GLU 558 -3.484 -16.945 1.350 59 HG3 GLU 558 HG1 GLU 558 -4.816 -16.203 0.451 60 H GLN 559 HN GLN 559 -8.269 -16.610 3.348 61 HA GLN 559 HA GLN 559 -7.884 -16.635 6.201 62 HB2 GLN 559 HB2 GLN 559 -9.251 -14.880 5.068 63 HB3 GLN 559 HB1 GLN 559 -10.440 -16.097 4.636 64 HG2 GLN 559 HG2 GLN 559 -11.156 -14.780 6.575 65 HG3 GLN 559 HG1 GLN 559 -10.954 -16.478 7.005 66 HE21 GLN 559 HE21 GLN 559 -9.182 -17.068 8.322 67 HE22 GLN 559 HE22 GLN 559 -8.326 -15.910 9.266 68 H LYS 560 HN LYS 560 -9.731 -18.609 3.834 69 HA LYS 560 HA LYS 560 -10.865 -20.354 5.794 70 HB2 LYS 560 HB2 LYS 560 -11.429 -21.905 4.023 71 HB3 LYS 560 HB1 LYS 560 -11.770 -20.271 3.473 72 HG2 LYS 560 HG2 LYS 560 -9.914 -20.267 1.984 73 HG3 LYS 560 HG1 LYS 560 -9.211 -21.701 2.727 74 HD2 LYS 560 HD2 LYS 560 -10.271 -22.149 0.500 75 HD3 LYS 560 HD1 LYS 560 -10.942 -23.125 1.808 76 HE2 LYS 560 HE2 LYS 560 -12.680 -22.252 0.258 77 HE3 LYS 560 HE1 LYS 560 -12.916 -21.699 1.915 78 HZ1 LYS 560 HZ1 LYS 560 -11.973 -19.581 1.325 79 HZ2 LYS 560 HZ2 LYS 560 -13.238 -19.946 0.258 80 HZ3 LYS 560 HZ3 LYS 560 -11.631 -20.120 -0.238 81 H LEU 561 HN LEU 561 -7.754 -20.315 4.101 82 HA LEU 561 HA LEU 561 -6.777 -22.852 4.937 83 HB2 LEU 561 HB2 LEU 561 -5.322 -20.285 4.188 84 HB3 LEU 561 HB1 LEU 561 -4.472 -21.780 4.554 85 HG LEU 561 HG LEU 561 -6.470 -21.472 2.277 86 HD11 LEU 561 HD11 LEU 561 -4.519 -20.066 1.857 87 HD12 LEU 561 HD12 LEU 561 -4.534 -21.447 0.764 88 HD13 LEU 561 HD13 LEU 561 -3.437 -21.432 2.150 89 HD21 LEU 561 HD21 LEU 561 -6.299 -23.780 3.078 90 HD22 LEU 561 HD22 LEU 561 -4.542 -23.733 2.905 91 HD23 LEU 561 HD23 LEU 561 -5.577 -23.618 1.478 92 H LEU 562 HN LEU 562 -6.696 -19.625 6.411 93 HA LEU 562 HA LEU 562 -5.028 -20.166 8.627 94 HB2 LEU 562 HB2 LEU 562 -5.611 -17.894 7.802 95 HB3 LEU 562 HB1 LEU 562 -7.262 -18.109 8.330 96 HG LEU 562 HG LEU 562 -5.701 -16.614 9.759 97 HD11 LEU 562 HD11 LEU 562 -6.700 -17.240 11.895 98 HD12 LEU 562 HD12 LEU 562 -7.217 -18.785 11.213 99 HD13 LEU 562 HD13 LEU 562 -7.888 -17.280 10.587 100 HD21 LEU 562 HD21 LEU 562 -4.661 -19.294 10.696 101 HD22 LEU 562 HD22 LEU 562 -4.324 -17.728 11.434 102 HD23 LEU 562 HD23 LEU 562 -3.757 -18.070 9.802 103 H GLU 563 HN GLU 563 -8.543 -20.094 8.321 104 HA GLU 563 HA GLU 563 -9.093 -20.796 11.034 105 HB2 GLU 563 HB2 GLU 563 -10.897 -20.777 8.573 106 HB3 GLU 563 HB1 GLU 563 -11.456 -20.908 10.245 107 HG2 GLU 563 HG2 GLU 563 -10.545 -18.686 10.747 108 HG3 GLU 563 HG1 GLU 563 -9.920 -18.546 9.105 109 H GLN 564 HN GLN 564 -8.865 -22.629 8.015 110 HA GLN 564 HA GLN 564 -9.719 -25.156 9.007 111 HB2 GLN 564 HB2 GLN 564 -9.626 -24.745 6.594 112 HB3 GLN 564 HB1 GLN 564 -7.899 -24.468 6.661 113 HG2 GLN 564 HG2 GLN 564 -8.401 -26.651 5.694 114 HG3 GLN 564 HG1 GLN 564 -7.518 -26.840 7.207 115 HE21 GLN 564 HE21 GLN 564 -8.551 -27.821 8.953 116 HE22 GLN 564 HE22 GLN 564 -10.067 -28.635 8.817 117 H ALA 565 HN ALA 565 -6.579 -23.532 8.832 118 HA ALA 565 HA ALA 565 -4.979 -25.668 9.791 119 HB1 ALA 565 HB1 ALA 565 -4.440 -22.685 9.939 120 HB2 ALA 565 HB2 ALA 565 -4.060 -23.732 8.572 121 HB3 ALA 565 HB3 ALA 565 -3.242 -23.974 10.115 122 H LEU 566 HN LEU 566 -6.928 -23.227 11.407 123 HA LEU 566 HA LEU 566 -6.058 -23.764 14.090 124 HB2 LEU 566 HB2 LEU 566 -8.635 -22.544 13.030 125 HB3 LEU 566 HB1 LEU 566 -8.186 -22.580 14.731 126 HG LEU 566 HG LEU 566 -6.588 -21.136 12.570 127 HD11 LEU 566 HD11 LEU 566 -7.477 -19.053 13.525 128 HD12 LEU 566 HD12 LEU 566 -8.530 -19.985 14.592 129 HD13 LEU 566 HD13 LEU 566 -8.753 -20.059 12.842 130 HD21 LEU 566 HD21 LEU 566 -6.328 -21.033 15.596 131 HD22 LEU 566 HD22 LEU 566 -5.391 -20.086 14.434 132 HD23 LEU 566 HD23 LEU 566 -5.213 -21.838 14.489 133 H LYS 567 HN LYS 567 -8.265 -25.362 11.895 134 HA LYS 567 HA LYS 567 -9.553 -26.979 13.973 135 HB2 LYS 567 HB2 LYS 567 -9.846 -27.287 10.946 136 HB3 LYS 567 HB1 LYS 567 -10.905 -27.943 12.190 137 HG2 LYS 567 HG2 LYS 567 -10.627 -25.072 11.288 138 HG3 LYS 567 HG1 LYS 567 -12.039 -26.116 11.161 139 HD2 LYS 567 HD2 LYS 567 -12.207 -26.083 13.669 140 HD3 LYS 567 HD1 LYS 567 -10.860 -24.939 13.708 141 HE2 LYS 567 HE2 LYS 567 -13.577 -24.472 12.414 142 HE3 LYS 567 HE1 LYS 567 -12.991 -23.754 13.914 143 HZ1 LYS 567 HZ1 LYS 567 -12.790 -22.202 12.096 144 HZ2 LYS 567 HZ2 LYS 567 -11.863 -23.296 11.203 145 HZ3 LYS 567 HZ3 LYS 567 -11.244 -22.641 12.632 146 H THR 568 HN THR 568 -7.067 -27.255 11.516 147 HA THR 568 HA THR 568 -6.815 -30.121 11.525 148 HB THR 568 HB THR 568 -4.923 -28.017 10.369 149 HG1 THR 568 HG1 THR 568 -7.117 -29.409 9.205 150 HG21 THR 568 HG21 THR 568 -4.125 -29.825 8.881 151 HG22 THR 568 HG22 THR 568 -5.177 -30.976 9.704 152 HG23 THR 568 HG23 THR 568 -3.830 -30.233 10.574 153 H TYR 569 HN TYR 569 -4.908 -27.384 12.736 154 HA TYR 569 HA TYR 569 -3.367 -29.142 14.548 155 HB2 TYR 569 HB2 TYR 569 -2.726 -26.198 14.104 156 HB3 TYR 569 HB1 TYR 569 -1.639 -27.505 14.558 157 HD1 TYR 569 HD2 TYR 569 -1.511 -29.458 12.617 158 HD2 TYR 569 HD1 TYR 569 -2.439 -25.344 11.949 159 HE1 TYR 569 HE2 TYR 569 -0.835 -29.675 10.261 160 HE2 TYR 569 HE1 TYR 569 -1.783 -25.573 9.593 161 HH TYR 569 HH TYR 569 -0.401 -26.971 8.204 162 HA PRO 570 HA PRO 570 -6.451 -27.367 17.471 163 HB2 PRO 570 HB2 PRO 570 -5.829 -28.965 19.621 164 HB3 PRO 570 HB1 PRO 570 -6.847 -29.508 18.278 165 HG2 PRO 570 HG2 PRO 570 -3.906 -29.994 18.746 166 HG3 PRO 570 HG1 PRO 570 -5.164 -31.145 18.240 167 HD2 PRO 570 HD2 PRO 570 -3.457 -30.017 16.454 168 HD3 PRO 570 HD1 PRO 570 -5.136 -30.396 16.016 169 H VAL 571 HN VAL 571 -6.286 -26.311 19.611 170 HA VAL 571 HA VAL 571 -4.106 -24.507 19.778 171 HB VAL 571 HB VAL 571 -6.440 -23.984 20.545 172 HG11 VAL 571 HG11 VAL 571 -5.781 -25.704 22.971 173 HG12 VAL 571 HG12 VAL 571 -6.960 -26.092 21.718 174 HG13 VAL 571 HG13 VAL 571 -7.225 -24.704 22.771 175 HG21 VAL 571 HG21 VAL 571 -4.563 -22.536 21.215 176 HG22 VAL 571 HG22 VAL 571 -4.297 -23.522 22.655 177 HG23 VAL 571 HG23 VAL 571 -5.791 -22.592 22.488 178 H ASN 572 HN ASN 572 -4.689 -27.597 21.165 179 HA ASN 572 HA ASN 572 -2.924 -27.571 23.388 180 HB2 ASN 572 HB2 ASN 572 -3.934 -29.957 21.775 181 HB3 ASN 572 HB1 ASN 572 -3.280 -30.014 23.410 182 HD21 ASN 572 HD21 ASN 572 -4.576 -29.248 25.149 183 HD22 ASN 572 HD22 ASN 572 -6.274 -28.999 24.973 184 H THR 573 HN THR 573 -2.422 -28.058 19.951 185 HA THR 573 HA THR 573 0.102 -29.406 20.080 186 HB THR 573 HB THR 573 -1.188 -27.812 17.820 187 HG1 THR 573 HG1 THR 573 -1.358 -30.443 18.715 188 HG21 THR 573 HG21 THR 573 0.388 -28.966 16.293 189 HG22 THR 573 HG22 THR 573 1.214 -29.678 17.679 190 HG23 THR 573 HG23 THR 573 1.254 -27.931 17.433 191 HA PRO 574 HA PRO 574 2.475 -25.699 21.339 192 HB2 PRO 574 HB2 PRO 574 4.830 -27.485 20.825 193 HB3 PRO 574 HB1 PRO 574 4.386 -26.607 22.295 194 HG2 PRO 574 HG2 PRO 574 4.101 -29.253 22.172 195 HG3 PRO 574 HG1 PRO 574 2.862 -28.262 22.976 196 HD2 PRO 574 HD2 PRO 574 2.828 -29.434 20.184 197 HD3 PRO 574 HD1 PRO 574 1.551 -29.456 21.427 198 H GLU 575 HN GLU 575 2.849 -27.506 18.395 199 HA GLU 575 HA GLU 575 4.718 -25.649 17.132 200 HB2 GLU 575 HB2 GLU 575 3.393 -28.083 15.866 201 HB3 GLU 575 HB1 GLU 575 4.877 -27.273 15.365 202 HG2 GLU 575 HG2 GLU 575 5.962 -28.074 17.466 203 HG3 GLU 575 HG1 GLU 575 4.481 -28.951 17.858 204 H ARG 576 HN ARG 576 1.522 -25.407 17.665 205 HA ARG 576 HA ARG 576 0.015 -25.813 15.418 206 HB2 ARG 576 HB2 ARG 576 -0.838 -25.131 17.723 207 HB3 ARG 576 HB1 ARG 576 -0.423 -23.470 17.321 208 HG2 ARG 576 HG2 ARG 576 -2.021 -23.641 15.351 209 HG3 ARG 576 HG1 ARG 576 -2.521 -25.210 15.987 210 HD2 ARG 576 HD2 ARG 576 -3.024 -23.946 18.186 211 HD3 ARG 576 HD1 ARG 576 -2.894 -22.474 17.213 212 HE ARG 576 HE ARG 576 -4.694 -24.237 15.939 213 HH11 ARG 576 HH11 ARG 576 -4.496 -22.223 18.802 214 HH12 ARG 576 HH12 ARG 576 -6.212 -22.132 19.009 215 HH21 ARG 576 HH21 ARG 576 -6.961 -24.108 16.234 216 HH22 ARG 576 HH22 ARG 576 -7.606 -23.177 17.545 217 H TRP 577 HN TRP 577 1.462 -22.670 16.300 218 HA TRP 577 HA TRP 577 0.365 -21.283 14.049 219 HB2 TRP 577 HB2 TRP 577 2.504 -20.354 16.017 220 HB3 TRP 577 HB1 TRP 577 1.540 -19.323 14.959 221 HD1 TRP 577 HD1 TRP 577 1.469 -20.892 18.377 222 HE1 TRP 577 HE1 TRP 577 -0.804 -20.478 19.505 223 HE3 TRP 577 HE3 TRP 577 -1.128 -19.075 14.354 224 HZ2 TRP 577 HZ2 TRP 577 -3.365 -19.520 18.789 225 HZ3 TRP 577 HZ3 TRP 577 -3.484 -18.435 14.659 226 HH2 TRP 577 HH2 TRP 577 -4.580 -18.651 16.826 227 H LYS 578 HN LYS 578 3.430 -22.878 14.624 228 HA LYS 578 HA LYS 578 4.881 -21.777 12.397 229 HB2 LYS 578 HB2 LYS 578 5.254 -24.253 14.111 230 HB3 LYS 578 HB1 LYS 578 6.218 -24.043 12.661 231 HG2 LYS 578 HG2 LYS 578 7.484 -23.323 14.585 232 HG3 LYS 578 HG1 LYS 578 7.139 -21.940 13.544 233 HD2 LYS 578 HD2 LYS 578 5.360 -21.204 15.078 234 HD3 LYS 578 HD1 LYS 578 5.619 -22.628 16.094 235 HE2 LYS 578 HE2 LYS 578 7.920 -21.847 16.587 236 HE3 LYS 578 HE1 LYS 578 7.648 -20.421 15.579 237 HZ1 LYS 578 HZ1 LYS 578 5.913 -19.723 17.092 238 HZ2 LYS 578 HZ2 LYS 578 7.365 -19.953 17.929 239 HZ3 LYS 578 HZ3 LYS 578 6.133 -21.106 18.040 240 H LYS 579 HN LYS 579 2.776 -24.587 12.843 241 HA LYS 579 HA LYS 579 3.128 -25.642 10.187 242 HB2 LYS 579 HB2 LYS 579 0.868 -26.236 12.140 243 HB3 LYS 579 HB1 LYS 579 1.389 -27.240 10.785 244 HG2 LYS 579 HG2 LYS 579 3.570 -27.599 11.960 245 HG3 LYS 579 HG1 LYS 579 2.952 -26.670 13.326 246 HD2 LYS 579 HD2 LYS 579 2.634 -28.952 13.934 247 HD3 LYS 579 HD1 LYS 579 1.036 -28.392 13.452 248 HE2 LYS 579 HE2 LYS 579 1.433 -30.598 12.514 249 HE3 LYS 579 HE1 LYS 579 1.407 -29.422 11.202 250 HZ1 LYS 579 HZ1 LYS 579 3.822 -30.621 12.444 251 HZ2 LYS 579 HZ2 LYS 579 3.844 -29.428 11.250 252 HZ3 LYS 579 HZ3 LYS 579 3.208 -30.953 10.904 253 H ILE 580 HN ILE 580 0.974 -23.358 11.738 254 HA ILE 580 HA ILE 580 -0.925 -23.039 9.625 255 HB ILE 580 HB ILE 580 -0.147 -21.200 11.932 256 HG12 ILE 580 HG12 ILE 580 -2.547 -23.033 11.515 257 HG13 ILE 580 HG11 ILE 580 -1.212 -23.330 12.607 258 HG21 ILE 580 HG21 ILE 580 -2.182 -19.883 11.495 259 HG22 ILE 580 HG22 ILE 580 -2.498 -20.828 10.040 260 HG23 ILE 580 HG23 ILE 580 -1.067 -19.799 10.128 261 HD11 ILE 580 HD11 ILE 580 -3.257 -21.134 12.856 262 HD12 ILE 580 HD12 ILE 580 -1.912 -21.422 13.964 263 HD13 ILE 580 HD13 ILE 580 -3.186 -22.626 13.792 264 H ALA 581 HN ALA 581 2.206 -21.531 10.371 265 HA ALA 581 HA ALA 581 2.306 -19.526 8.403 266 HB1 ALA 581 HB1 ALA 581 4.756 -19.672 8.596 267 HB2 ALA 581 HB2 ALA 581 4.612 -21.229 9.423 268 HB3 ALA 581 HB3 ALA 581 3.999 -19.760 10.187 269 H GLU 582 HN GLU 582 2.938 -22.978 8.197 270 HA GLU 582 HA GLU 582 3.911 -23.008 5.492 271 HB2 GLU 582 HB2 GLU 582 2.869 -25.245 7.280 272 HB3 GLU 582 HB1 GLU 582 3.709 -25.492 5.746 273 HG2 GLU 582 HG2 GLU 582 5.753 -24.551 6.639 274 HG3 GLU 582 HG1 GLU 582 4.941 -24.045 8.122 275 H ALA 583 HN ALA 583 0.788 -23.563 7.065 276 HA ALA 583 HA ALA 583 -0.643 -24.413 4.722 277 HB1 ALA 583 HB1 ALA 583 -1.359 -25.057 6.995 278 HB2 ALA 583 HB2 ALA 583 -2.650 -24.205 6.147 279 HB3 ALA 583 HB3 ALA 583 -1.702 -23.368 7.382 280 H VAL 584 HN VAL 584 0.092 -21.301 6.145 281 HA VAL 584 HA VAL 584 -1.640 -19.859 4.223 282 HB VAL 584 HB VAL 584 -1.073 -18.838 7.045 283 HG11 VAL 584 HG11 VAL 584 -3.171 -18.031 4.997 284 HG12 VAL 584 HG12 VAL 584 -1.703 -17.133 5.391 285 HG13 VAL 584 HG13 VAL 584 -2.973 -17.321 6.602 286 HG21 VAL 584 HG21 VAL 584 -3.561 -20.349 6.176 287 HG22 VAL 584 HG22 VAL 584 -3.332 -19.539 7.730 288 HG23 VAL 584 HG23 VAL 584 -2.331 -20.928 7.304 289 HA PRO 585 HA PRO 585 2.710 -18.461 3.506 290 HB2 PRO 585 HB2 PRO 585 1.625 -17.463 0.918 291 HB3 PRO 585 HB1 PRO 585 2.923 -18.625 1.218 292 HG2 PRO 585 HG2 PRO 585 0.525 -19.406 0.242 293 HG3 PRO 585 HG1 PRO 585 1.452 -20.433 1.361 294 HD2 PRO 585 HD2 PRO 585 -0.887 -18.609 1.964 295 HD3 PRO 585 HD1 PRO 585 -0.595 -20.282 2.496 296 H GLY 586 HN GLY 586 3.620 -16.523 3.974 297 HA2 GLY 586 HA2 GLY 586 4.092 -14.268 3.712 298 HA3 GLY 586 HA1 GLY 586 2.540 -14.029 2.940 299 H ARG 587 HN ARG 587 0.992 -15.154 5.140 300 HA ARG 587 HA ARG 587 0.645 -12.741 6.652 301 HB2 ARG 587 HB2 ARG 587 -0.702 -15.452 7.018 302 HB3 ARG 587 HB1 ARG 587 -1.275 -13.907 7.651 303 HG2 ARG 587 HG2 ARG 587 -1.063 -14.651 4.708 304 HG3 ARG 587 HG1 ARG 587 -2.548 -14.659 5.664 305 HD2 ARG 587 HD2 ARG 587 -2.417 -12.250 5.968 306 HD3 ARG 587 HD1 ARG 587 -0.843 -12.193 5.162 307 HE ARG 587 HE ARG 587 -2.870 -13.343 3.502 308 HH11 ARG 587 HH11 ARG 587 -1.549 -10.263 4.554 309 HH12 ARG 587 HH12 ARG 587 -2.126 -9.407 3.165 310 HH21 ARG 587 HH21 ARG 587 -3.606 -12.223 1.701 311 HH22 ARG 587 HH22 ARG 587 -3.315 -10.524 1.553 312 H THR 588 HN THR 588 1.306 -12.301 8.737 313 HA THR 588 HA THR 588 3.255 -14.094 9.944 314 HB THR 588 HB THR 588 3.661 -12.250 11.563 315 HG1 THR 588 HG1 THR 588 1.500 -11.009 10.197 316 HG21 THR 588 HG21 THR 588 3.557 -11.224 8.694 317 HG22 THR 588 HG22 THR 588 4.878 -12.151 9.409 318 HG23 THR 588 HG23 THR 588 4.511 -10.533 10.007 319 H LYS 589 HN LYS 589 3.190 -14.683 12.190 320 HA LYS 589 HA LYS 589 0.790 -16.113 12.708 321 HB2 LYS 589 HB2 LYS 589 3.375 -15.834 14.262 322 HB3 LYS 589 HB1 LYS 589 2.032 -16.774 14.879 323 HG2 LYS 589 HG2 LYS 589 3.631 -18.265 13.870 324 HG3 LYS 589 HG1 LYS 589 2.158 -18.281 12.906 325 HD2 LYS 589 HD2 LYS 589 4.411 -16.448 12.075 326 HD3 LYS 589 HD1 LYS 589 4.599 -18.175 11.786 327 HE2 LYS 589 HE2 LYS 589 2.570 -18.191 10.396 328 HE3 LYS 589 HE1 LYS 589 2.282 -16.492 10.754 329 HZ1 LYS 589 HZ1 LYS 589 3.301 -16.783 8.594 330 HZ2 LYS 589 HZ2 LYS 589 4.633 -17.559 9.298 331 HZ3 LYS 589 HZ3 LYS 589 4.331 -15.932 9.630 332 H LYS 590 HN LYS 590 2.070 -13.087 13.941 333 HA LYS 590 HA LYS 590 0.367 -12.754 16.174 334 HB2 LYS 590 HB2 LYS 590 0.816 -10.305 15.926 335 HB3 LYS 590 HB1 LYS 590 2.286 -11.273 15.877 336 HG2 LYS 590 HG2 LYS 590 2.453 -11.019 13.475 337 HG3 LYS 590 HG1 LYS 590 0.880 -10.219 13.399 338 HD2 LYS 590 HD2 LYS 590 1.779 -8.309 14.674 339 HD3 LYS 590 HD1 LYS 590 3.344 -9.120 14.812 340 HE2 LYS 590 HE2 LYS 590 3.310 -7.384 13.027 341 HE3 LYS 590 HE1 LYS 590 3.675 -8.990 12.401 342 HZ1 LYS 590 HZ1 LYS 590 2.125 -7.814 10.982 343 HZ2 LYS 590 HZ2 LYS 590 1.025 -7.644 12.255 344 HZ3 LYS 590 HZ3 LYS 590 1.383 -9.180 11.647 345 H ASP 591 HN ASP 591 -0.119 -12.108 12.698 346 HA ASP 591 HA ASP 591 -2.734 -10.917 12.961 347 HB2 ASP 591 HB2 ASP 591 -1.244 -12.085 10.574 348 HB3 ASP 591 HB1 ASP 591 -2.883 -11.459 10.433 349 H CYS 592 HN CYS 592 -1.481 -14.160 12.510 350 HA CYS 592 HA CYS 592 -3.903 -15.540 12.008 351 HB2 CYS 592 HB2 CYS 592 -1.356 -16.541 13.348 352 HB3 CYS 592 HB1 CYS 592 -2.624 -17.565 12.668 353 HG CYS 592 HG CYS 592 -2.204 -16.742 10.041 354 H MET 593 HN MET 593 -2.204 -14.677 14.989 355 HA MET 593 HA MET 593 -3.981 -15.993 16.843 356 HB2 MET 593 HB2 MET 593 -1.863 -13.833 17.248 357 HB3 MET 593 HB1 MET 593 -2.716 -14.623 18.561 358 HG2 MET 593 HG2 MET 593 -1.687 -16.743 18.028 359 HG3 MET 593 HG1 MET 593 -0.967 -16.068 16.564 360 HE1 MET 593 HE1 MET 593 1.600 -16.318 16.875 361 HE2 MET 593 HE2 MET 593 1.069 -17.517 18.061 362 HE3 MET 593 HE3 MET 593 2.344 -16.369 18.474 363 H LYS 594 HN LYS 594 -3.603 -12.749 15.559 364 HA LYS 594 HA LYS 594 -5.473 -11.274 17.025 365 HB2 LYS 594 HB2 LYS 594 -3.927 -10.207 15.440 366 HB3 LYS 594 HB1 LYS 594 -4.643 -11.087 14.096 367 HG2 LYS 594 HG2 LYS 594 -6.804 -9.815 14.535 368 HG3 LYS 594 HG1 LYS 594 -5.902 -8.820 15.684 369 HD2 LYS 594 HD2 LYS 594 -5.318 -9.113 12.706 370 HD3 LYS 594 HD1 LYS 594 -6.079 -7.718 13.478 371 HE2 LYS 594 HE2 LYS 594 -4.010 -7.259 14.723 372 HE3 LYS 594 HE1 LYS 594 -3.249 -8.691 14.025 373 HZ1 LYS 594 HZ1 LYS 594 -2.597 -6.651 12.903 374 HZ2 LYS 594 HZ2 LYS 594 -4.199 -6.348 12.484 375 HZ3 LYS 594 HZ3 LYS 594 -3.408 -7.700 11.853 376 H ARG 595 HN ARG 595 -5.908 -12.974 13.927 377 HA ARG 595 HA ARG 595 -8.689 -12.608 13.669 378 HB2 ARG 595 HB2 ARG 595 -7.360 -13.210 11.729 379 HB3 ARG 595 HB1 ARG 595 -6.825 -14.701 12.488 380 HG2 ARG 595 HG2 ARG 595 -8.463 -15.183 10.779 381 HG3 ARG 595 HG1 ARG 595 -9.118 -15.604 12.355 382 HD2 ARG 595 HD2 ARG 595 -10.420 -13.477 12.342 383 HD3 ARG 595 HD1 ARG 595 -9.789 -13.126 10.724 384 HE ARG 595 HE ARG 595 -11.050 -15.716 10.890 385 HH11 ARG 595 HH11 ARG 595 -11.750 -12.306 10.344 386 HH12 ARG 595 HH12 ARG 595 -13.269 -12.639 9.585 387 HH21 ARG 595 HH21 ARG 595 -13.038 -16.111 9.879 388 HH22 ARG 595 HH22 ARG 595 -14.003 -14.775 9.329 389 H TYR 596 HN TYR 596 -6.784 -15.274 15.097 390 HA TYR 596 HA TYR 596 -8.980 -16.985 15.692 391 HB2 TYR 596 HB2 TYR 596 -6.717 -17.867 15.566 392 HB3 TYR 596 HB1 TYR 596 -6.190 -16.863 16.913 393 HD1 TYR 596 HD2 TYR 596 -8.947 -19.365 16.261 394 HD2 TYR 596 HD1 TYR 596 -5.887 -18.052 18.934 395 HE1 TYR 596 HE2 TYR 596 -9.506 -21.194 17.793 396 HE2 TYR 596 HE1 TYR 596 -6.452 -19.883 20.476 397 HH TYR 596 HH TYR 596 -8.431 -21.350 20.962 398 H LYS 597 HN LYS 597 -7.475 -14.340 17.463 399 HA LYS 597 HA LYS 597 -8.758 -14.593 19.975 400 HB2 LYS 597 HB2 LYS 597 -6.943 -13.029 19.842 401 HB3 LYS 597 HB1 LYS 597 -7.616 -12.229 18.429 402 HG2 LYS 597 HG2 LYS 597 -9.426 -11.275 19.857 403 HG3 LYS 597 HG1 LYS 597 -8.696 -12.045 21.268 404 HD2 LYS 597 HD2 LYS 597 -7.306 -9.972 19.512 405 HD3 LYS 597 HD1 LYS 597 -8.139 -9.599 21.024 406 HE2 LYS 597 HE2 LYS 597 -5.720 -11.425 20.736 407 HE3 LYS 597 HE1 LYS 597 -5.701 -9.773 21.356 408 HZ1 LYS 597 HZ1 LYS 597 -7.074 -12.105 22.588 409 HZ2 LYS 597 HZ2 LYS 597 -7.202 -10.513 23.146 410 HZ3 LYS 597 HZ3 LYS 597 -5.705 -11.302 23.180 411 H GLU 598 HN GLU 598 -9.633 -12.860 17.005 412 HA GLU 598 HA GLU 598 -12.125 -11.844 17.797 413 HB2 GLU 598 HB2 GLU 598 -11.221 -12.671 15.002 414 HB3 GLU 598 HB1 GLU 598 -12.619 -11.656 15.363 415 HG2 GLU 598 HG2 GLU 598 -9.696 -10.991 15.812 416 HG3 GLU 598 HG1 GLU 598 -10.789 -10.266 14.636 417 H LEU 599 HN LEU 599 -11.254 -14.904 16.189 418 HA LEU 599 HA LEU 599 -13.836 -15.807 15.589 419 HB2 LEU 599 HB2 LEU 599 -11.237 -17.330 15.959 420 HB3 LEU 599 HB1 LEU 599 -12.711 -18.087 15.364 421 HG LEU 599 HG LEU 599 -11.319 -15.751 13.995 422 HD11 LEU 599 HD11 LEU 599 -10.553 -17.339 12.306 423 HD12 LEU 599 HD12 LEU 599 -11.217 -18.682 13.240 424 HD13 LEU 599 HD13 LEU 599 -9.888 -17.722 13.894 425 HD21 LEU 599 HD21 LEU 599 -13.728 -15.830 13.545 426 HD22 LEU 599 HD22 LEU 599 -13.588 -17.511 13.018 427 HD23 LEU 599 HD23 LEU 599 -12.791 -16.229 12.103 428 H VAL 600 HN VAL 600 -11.712 -16.751 18.312 429 HA VAL 600 HA VAL 600 -13.520 -18.575 19.478 430 HB VAL 600 HB VAL 600 -11.091 -18.652 19.952 431 HG11 VAL 600 HG11 VAL 600 -11.473 -16.156 21.646 432 HG12 VAL 600 HG12 VAL 600 -10.583 -16.240 20.130 433 HG13 VAL 600 HG13 VAL 600 -9.991 -17.119 21.538 434 HG21 VAL 600 HG21 VAL 600 -12.772 -18.321 22.461 435 HG22 VAL 600 HG22 VAL 600 -11.215 -19.149 22.379 436 HG23 VAL 600 HG23 VAL 600 -12.607 -19.795 21.504 437 H GLU 601 HN GLU 601 -12.934 -15.101 20.066 438 HA GLU 601 HA GLU 601 -14.732 -15.034 22.339 439 HB2 GLU 601 HB2 GLU 601 -13.091 -12.850 21.015 440 HB3 GLU 601 HB1 GLU 601 -14.168 -12.561 22.382 441 HG2 GLU 601 HG2 GLU 601 -12.868 -14.269 23.693 442 HG3 GLU 601 HG1 GLU 601 -11.731 -14.377 22.350 443 H MET 602 HN MET 602 -15.056 -14.359 18.915 444 HA MET 602 HA MET 602 -17.374 -12.667 19.209 445 HB2 MET 602 HB2 MET 602 -17.672 -12.742 16.803 446 HB3 MET 602 HB1 MET 602 -15.971 -12.489 17.142 447 HG2 MET 602 HG2 MET 602 -15.457 -14.764 16.535 448 HG3 MET 602 HG1 MET 602 -17.167 -15.163 16.403 449 HE1 MET 602 HE1 MET 602 -15.508 -11.784 15.041 450 HE2 MET 602 HE2 MET 602 -15.035 -12.311 13.425 451 HE3 MET 602 HE3 MET 602 -14.243 -12.996 14.843 452 H VAL 603 HN VAL 603 -16.741 -16.083 18.574 453 HA VAL 603 HA VAL 603 -19.446 -16.832 18.101 454 HB VAL 603 HB VAL 603 -17.038 -18.524 18.915 455 HG11 VAL 603 HG11 VAL 603 -19.776 -19.491 17.970 456 HG12 VAL 603 HG12 VAL 603 -19.100 -19.712 19.586 457 HG13 VAL 603 HG13 VAL 603 -18.353 -20.513 18.205 458 HG21 VAL 603 HG21 VAL 603 -16.852 -17.426 16.704 459 HG22 VAL 603 HG22 VAL 603 -18.393 -18.136 16.213 460 HG23 VAL 603 HG23 VAL 603 -17.002 -19.173 16.533 461 H LYS 604 HN LYS 604 -17.361 -17.019 21.049 462 HA LYS 604 HA LYS 604 -19.416 -18.161 22.679 463 HB2 LYS 604 HB2 LYS 604 -17.924 -17.838 24.568 464 HB3 LYS 604 HB1 LYS 604 -17.031 -18.468 23.189 465 HG2 LYS 604 HG2 LYS 604 -16.206 -16.154 22.731 466 HG3 LYS 604 HG1 LYS 604 -17.005 -15.609 24.210 467 HD2 LYS 604 HD2 LYS 604 -14.814 -17.738 24.078 468 HD3 LYS 604 HD1 LYS 604 -14.554 -16.047 24.516 469 HE2 LYS 604 HE2 LYS 604 -16.305 -18.011 26.046 470 HE3 LYS 604 HE1 LYS 604 -14.680 -17.502 26.511 471 HZ1 LYS 604 HZ1 LYS 604 -15.497 -15.223 26.677 472 HZ2 LYS 604 HZ2 LYS 604 -16.343 -16.254 27.716 473 HZ3 LYS 604 HZ3 LYS 604 -17.056 -15.734 26.274 474 H ALA 605 HN ALA 605 -18.480 -14.802 22.026 475 HA ALA 605 HA ALA 605 -20.069 -13.558 24.045 476 HB1 ALA 605 HB1 ALA 605 -18.286 -12.340 22.858 477 HB2 ALA 605 HB2 ALA 605 -19.830 -11.493 22.721 478 HB3 ALA 605 HB3 ALA 605 -19.206 -12.432 21.359 479 H LYS 606 HN LYS 606 -20.666 -14.205 20.586 480 HA LYS 606 HA LYS 606 -23.414 -13.436 20.616 481 HB2 LYS 606 HB2 LYS 606 -21.845 -15.120 18.624 482 HB3 LYS 606 HB1 LYS 606 -23.525 -14.640 18.381 483 HG2 LYS 606 HG2 LYS 606 -22.834 -12.250 18.437 484 HG3 LYS 606 HG1 LYS 606 -21.151 -12.751 18.638 485 HD2 LYS 606 HD2 LYS 606 -22.921 -13.379 16.233 486 HD3 LYS 606 HD1 LYS 606 -21.677 -12.128 16.288 487 HE2 LYS 606 HE2 LYS 606 -19.938 -13.835 16.560 488 HE3 LYS 606 HE1 LYS 606 -21.158 -15.107 16.624 489 HZ1 LYS 606 HZ1 LYS 606 -21.779 -14.565 14.352 490 HZ2 LYS 606 HZ2 LYS 606 -20.144 -14.977 14.463 491 HZ3 LYS 606 HZ3 LYS 606 -20.594 -13.359 14.295 492 H LYS 607 HN LYS 607 -21.767 -16.355 21.553 493 HA LYS 607 HA LYS 607 -23.930 -18.203 21.208 494 HB2 LYS 607 HB2 LYS 607 -21.422 -18.780 21.507 495 HB3 LYS 607 HB1 LYS 607 -21.671 -18.531 23.222 496 HG2 LYS 607 HG2 LYS 607 -21.894 -20.835 23.070 497 HG3 LYS 607 HG1 LYS 607 -23.584 -20.345 22.936 498 HD2 LYS 607 HD2 LYS 607 -21.810 -20.883 20.509 499 HD3 LYS 607 HD1 LYS 607 -22.764 -22.144 21.285 500 HE2 LYS 607 HE2 LYS 607 -24.831 -21.016 20.690 501 HE3 LYS 607 HE1 LYS 607 -23.952 -19.610 20.097 502 HZ1 LYS 607 HZ1 LYS 607 -24.697 -21.024 18.301 503 HZ2 LYS 607 HZ2 LYS 607 -23.829 -22.327 18.932 504 HZ3 LYS 607 HZ3 LYS 607 -23.005 -20.967 18.356 505 H ALA 608 HN ALA 608 -22.650 -16.352 23.937 506 HA ALA 608 HA ALA 608 -24.589 -17.028 25.880 507 HB1 ALA 608 HB1 ALA 608 -22.958 -14.478 25.582 508 HB2 ALA 608 HB2 ALA 608 -22.460 -15.930 26.448 509 HB3 ALA 608 HB3 ALA 608 -23.822 -14.980 27.044 510 H ALA 609 HN ALA 609 -24.399 -14.455 23.450 511 HA ALA 609 HA ALA 609 -26.743 -13.031 24.171 512 HB1 ALA 609 HB1 ALA 609 -25.287 -13.081 21.508 513 HB2 ALA 609 HB2 ALA 609 -24.898 -12.040 22.878 514 HB3 ALA 609 HB3 ALA 609 -26.440 -11.848 22.046 515 H GLN 610 HN GLN 610 -26.255 -15.863 22.134 516 HA GLN 610 HA GLN 610 -28.888 -15.718 20.864 517 HB2 GLN 610 HB2 GLN 610 -26.608 -17.728 20.684 518 HB3 GLN 610 HB1 GLN 610 -28.163 -18.018 19.910 519 HG2 GLN 610 HG2 GLN 610 -27.877 -16.130 18.446 520 HG3 GLN 610 HG1 GLN 610 -26.446 -15.588 19.325 521 HE21 GLN 610 HE21 GLN 610 -26.776 -16.315 16.460 522 HE22 GLN 610 HE22 GLN 610 -25.585 -17.529 16.157 523 H GLU 611 HN GLU 611 -27.193 -17.760 23.217 524 HA GLU 611 HA GLU 611 -29.176 -19.784 23.412 525 HB2 GLU 611 HB2 GLU 611 -26.640 -19.907 23.981 526 HB3 GLU 611 HB1 GLU 611 -27.052 -19.185 25.526 527 HG2 GLU 611 HG2 GLU 611 -28.107 -21.838 24.492 528 HG3 GLU 611 HG1 GLU 611 -26.752 -21.657 25.594 529 H GLN 612 HN GLN 612 -28.395 -16.942 25.431 530 HA GLN 612 HA GLN 612 -30.329 -17.442 27.464 531 HB2 GLN 612 HB2 GLN 612 -28.977 -14.828 26.669 532 HB3 GLN 612 HB1 GLN 612 -29.952 -15.046 28.120 533 HG2 GLN 612 HG2 GLN 612 -27.333 -16.445 27.488 534 HG3 GLN 612 HG1 GLN 612 -27.572 -15.144 28.651 535 HE21 GLN 612 HE21 GLN 612 -26.525 -17.864 29.056 536 HE22 GLN 612 HE22 GLN 612 -27.533 -18.584 30.261 537 H VAL 613 HN VAL 613 -30.470 -15.609 24.414 538 HA VAL 613 HA VAL 613 -33.084 -14.520 24.768 539 HB VAL 613 HB VAL 613 -31.419 -15.037 22.268 540 HG11 VAL 613 HG11 VAL 613 -34.153 -13.691 22.313 541 HG12 VAL 613 HG12 VAL 613 -33.774 -15.239 21.551 542 HG13 VAL 613 HG13 VAL 613 -33.056 -13.751 20.932 543 HG21 VAL 613 HG21 VAL 613 -31.256 -12.573 22.179 544 HG22 VAL 613 HG22 VAL 613 -30.658 -13.189 23.720 545 HG23 VAL 613 HG23 VAL 613 -32.257 -12.443 23.628 546 H LEU 614 HN LEU 614 -31.927 -17.607 23.404 547 HA LEU 614 HA LEU 614 -34.476 -18.509 22.442 548 HB2 LEU 614 HB2 LEU 614 -32.273 -19.338 21.572 549 HB3 LEU 614 HB1 LEU 614 -31.984 -20.133 23.111 550 HG LEU 614 HG LEU 614 -33.917 -21.649 22.710 551 HD11 LEU 614 HD11 LEU 614 -34.180 -20.266 20.022 552 HD12 LEU 614 HD12 LEU 614 -35.340 -20.197 21.354 553 HD13 LEU 614 HD13 LEU 614 -35.040 -21.722 20.527 554 HD21 LEU 614 HD21 LEU 614 -31.679 -22.368 21.988 555 HD22 LEU 614 HD22 LEU 614 -31.940 -21.633 20.404 556 HD23 LEU 614 HD23 LEU 614 -32.928 -23.002 20.917 557 H ASN 615 HN ASN 615 -32.661 -18.908 25.426 558 HA ASN 615 HA ASN 615 -34.343 -20.782 26.742 559 HB2 ASN 615 HB2 ASN 615 -31.999 -20.417 27.424 560 HB3 ASN 615 HB1 ASN 615 -32.351 -18.748 27.839 561 HD21 ASN 615 HD21 ASN 615 -31.651 -18.994 29.973 562 HD22 ASN 615 HD22 ASN 615 -32.530 -19.914 31.145 563 H ALA 616 HN ALA 616 -34.294 -17.277 26.501 564 HA ALA 616 HA ALA 616 -36.280 -16.754 28.522 565 HB1 ALA 616 HB1 ALA 616 -36.161 -14.430 27.722 566 HB2 ALA 616 HB2 ALA 616 -35.204 -14.945 26.328 567 HB3 ALA 616 HB3 ALA 616 -34.543 -15.095 27.957 568 H SER 617 HN SER 617 -36.263 -17.072 24.988 569 HA SER 617 HA SER 617 -39.057 -16.375 24.658 570 HB2 SER 617 HB2 SER 617 -38.643 -16.882 22.247 571 HB3 SER 617 HB1 SER 617 -37.447 -15.763 22.907 572 HG SER 617 HG SER 617 -35.969 -17.143 22.394 573 H ARG 618 HN ARG 618 -37.309 -19.207 25.457 574 HA ARG 618 HA ARG 618 -39.054 -21.265 24.632 575 HB2 ARG 618 HB2 ARG 618 -36.776 -21.593 25.701 576 HB3 ARG 618 HB1 ARG 618 -37.478 -21.138 27.242 577 HG2 ARG 618 HG2 ARG 618 -37.737 -23.375 27.541 578 HG3 ARG 618 HG1 ARG 618 -39.170 -23.179 26.535 579 HD2 ARG 618 HD2 ARG 618 -37.960 -25.045 25.663 580 HD3 ARG 618 HD1 ARG 618 -37.700 -23.720 24.519 581 HE ARG 618 HE ARG 618 -35.716 -24.271 26.636 582 HH11 ARG 618 HH11 ARG 618 -36.426 -24.117 23.198 583 HH12 ARG 618 HH12 ARG 618 -34.772 -24.344 22.739 584 HH21 ARG 618 HH21 ARG 618 -33.594 -24.559 26.033 585 HH22 ARG 618 HH22 ARG 618 -33.159 -24.579 24.355 586 H ALA 619 HN ALA 619 -39.321 -18.824 27.102 587 HA ALA 619 HA ALA 619 -41.481 -20.003 28.620 588 HB1 ALA 619 HB1 ALA 619 -39.788 -18.531 29.658 589 HB2 ALA 619 HB2 ALA 619 -41.412 -17.877 29.873 590 HB3 ALA 619 HB3 ALA 619 -40.332 -17.183 28.657 591 H LYS 620 HN LYS 620 -42.191 -19.918 25.893 592 HA LYS 620 HA LYS 620 -44.039 -17.786 25.360 593 HB2 LYS 620 HB2 LYS 620 -44.791 -19.333 23.461 594 HB3 LYS 620 HB1 LYS 620 -43.131 -18.783 23.421 595 HG2 LYS 620 HG2 LYS 620 -43.160 -21.067 22.727 596 HG3 LYS 620 HG1 LYS 620 -42.402 -21.009 24.318 597 HD2 LYS 620 HD2 LYS 620 -44.431 -21.878 25.357 598 HD3 LYS 620 HD1 LYS 620 -45.305 -21.786 23.826 599 HE2 LYS 620 HE2 LYS 620 -42.900 -23.578 24.349 600 HE3 LYS 620 HE1 LYS 620 -44.584 -24.099 24.394 601 HZ1 LYS 620 HZ1 LYS 620 -43.592 -24.644 22.291 602 HZ2 LYS 620 HZ2 LYS 620 -43.147 -23.036 22.028 603 HZ3 LYS 620 HZ3 LYS 620 -44.782 -23.465 22.058 604 H LYS 621 HN LYS 621 -46.396 -18.378 24.823 605 HA LYS 621 HA LYS 621 -47.623 -19.752 27.081 606 HB2 LYS 621 HB2 LYS 621 -48.605 -17.619 26.277 607 HB3 LYS 621 HB1 LYS 621 -48.907 -18.337 24.699 608 HG2 LYS 621 HG2 LYS 621 -50.511 -19.919 25.695 609 HG3 LYS 621 HG1 LYS 621 -50.166 -19.282 27.301 610 HD2 LYS 621 HD2 LYS 621 -52.286 -18.392 26.461 611 HD3 LYS 621 HD1 LYS 621 -51.106 -17.095 26.655 612 HE2 LYS 621 HE2 LYS 621 -50.691 -17.097 24.228 613 HE3 LYS 621 HE1 LYS 621 -51.826 -18.436 24.020 614 HZ1 LYS 621 HZ1 LYS 621 -52.763 -16.224 23.527 615 HZ2 LYS 621 HZ2 LYS 621 -52.567 -15.791 25.152 616 HZ3 LYS 621 HZ3 LYS 621 -53.610 -17.055 24.730 Start of MODEL 6 1 H PHE 551 HN PHE 551 0.042 -3.971 -0.839 2 HA PHE 551 HA PHE 551 0.945 -6.557 0.306 3 HB2 PHE 551 HB2 PHE 551 1.828 -4.586 1.618 4 HB3 PHE 551 HB1 PHE 551 0.175 -4.062 1.911 5 HD1 PHE 551 HD2 PHE 551 2.710 -6.661 2.697 6 HD2 PHE 551 HD1 PHE 551 -1.217 -5.204 3.587 7 HE1 PHE 551 HE2 PHE 551 2.623 -8.095 4.697 8 HE2 PHE 551 HE1 PHE 551 -1.293 -6.642 5.582 9 HZ PHE 551 HZ PHE 551 0.623 -8.089 6.138 10 H THR 552 HN THR 552 -0.684 -7.947 0.645 11 HA THR 552 HA THR 552 -3.486 -7.034 0.402 12 HB THR 552 HB THR 552 -3.938 -9.527 -0.037 13 HG1 THR 552 HG1 THR 552 -1.513 -10.193 -0.912 14 HG21 THR 552 HG21 THR 552 -3.168 -9.465 -2.385 15 HG22 THR 552 HG22 THR 552 -2.078 -8.129 -2.004 16 HG23 THR 552 HG23 THR 552 -3.825 -7.897 -1.904 17 HA PRO 553 HA PRO 553 -4.066 -8.378 4.724 18 HB2 PRO 553 HB2 PRO 553 -6.652 -7.739 5.022 19 HB3 PRO 553 HB1 PRO 553 -5.446 -6.471 4.738 20 HG2 PRO 553 HG2 PRO 553 -7.364 -7.738 2.781 21 HG3 PRO 553 HG1 PRO 553 -6.946 -6.024 2.976 22 HD2 PRO 553 HD2 PRO 553 -5.813 -7.736 1.074 23 HD3 PRO 553 HD1 PRO 553 -5.076 -6.218 1.634 24 H TRP 554 HN TRP 554 -6.159 -9.621 5.813 25 HA TRP 554 HA TRP 554 -6.093 -12.308 4.903 26 HB2 TRP 554 HB2 TRP 554 -7.801 -10.872 6.975 27 HB3 TRP 554 HB1 TRP 554 -7.954 -12.601 6.664 28 HD1 TRP 554 HD1 TRP 554 -5.646 -10.061 8.362 29 HE1 TRP 554 HE1 TRP 554 -3.891 -11.347 9.723 30 HE3 TRP 554 HE3 TRP 554 -6.632 -14.795 6.702 31 HZ2 TRP 554 HZ2 TRP 554 -3.001 -14.005 10.027 32 HZ3 TRP 554 HZ3 TRP 554 -5.279 -16.660 7.571 33 HH2 TRP 554 HH2 TRP 554 -3.501 -16.269 9.202 34 H THR 555 HN THR 555 -6.823 -12.418 2.793 35 HA THR 555 HA THR 555 -9.567 -11.675 2.125 36 HB THR 555 HB THR 555 -9.100 -12.459 -0.129 37 HG1 THR 555 HG1 THR 555 -6.535 -13.391 0.607 38 HG21 THR 555 HG21 THR 555 -8.063 -10.281 0.427 39 HG22 THR 555 HG22 THR 555 -7.091 -11.171 -0.746 40 HG23 THR 555 HG23 THR 555 -6.590 -11.116 0.945 41 H THR 556 HN THR 556 -10.728 -13.643 0.828 42 HA THR 556 HA THR 556 -11.699 -15.305 2.861 43 HB THR 556 HB THR 556 -11.981 -15.777 -0.129 44 HG1 THR 556 HG1 THR 556 -13.789 -14.420 0.031 45 HG21 THR 556 HG21 THR 556 -14.150 -16.799 0.463 46 HG22 THR 556 HG22 THR 556 -13.812 -16.557 2.179 47 HG23 THR 556 HG23 THR 556 -12.817 -17.664 1.228 48 H GLU 557 HN GLU 557 -9.210 -15.948 0.366 49 HA GLU 557 HA GLU 557 -9.181 -18.772 0.681 50 HB2 GLU 557 HB2 GLU 557 -7.095 -18.787 -0.597 51 HB3 GLU 557 HB1 GLU 557 -8.316 -17.778 -1.357 52 HG2 GLU 557 HG2 GLU 557 -7.185 -15.769 -0.508 53 HG3 GLU 557 HG1 GLU 557 -5.964 -16.769 0.267 54 H GLU 558 HN GLU 558 -6.930 -16.265 2.067 55 HA GLU 558 HA GLU 558 -5.392 -18.147 3.566 56 HB2 GLU 558 HB2 GLU 558 -5.746 -15.167 4.103 57 HB3 GLU 558 HB1 GLU 558 -4.567 -16.193 4.897 58 HG2 GLU 558 HG2 GLU 558 -3.170 -15.358 3.315 59 HG3 GLU 558 HG1 GLU 558 -3.842 -16.670 2.342 60 H GLN 559 HN GLN 559 -8.346 -16.423 4.194 61 HA GLN 559 HA GLN 559 -8.560 -16.744 6.988 62 HB2 GLN 559 HB2 GLN 559 -9.924 -15.125 5.744 63 HB3 GLN 559 HB1 GLN 559 -10.705 -16.419 4.847 64 HG2 GLN 559 HG2 GLN 559 -12.124 -15.454 6.640 65 HG3 GLN 559 HG1 GLN 559 -11.855 -17.188 6.823 66 HE21 GLN 559 HE21 GLN 559 -12.279 -17.168 9.005 67 HE22 GLN 559 HE22 GLN 559 -11.210 -16.478 10.163 68 H LYS 560 HN LYS 560 -9.810 -18.702 4.272 69 HA LYS 560 HA LYS 560 -11.005 -20.768 5.835 70 HB2 LYS 560 HB2 LYS 560 -9.979 -20.795 2.967 71 HB3 LYS 560 HB1 LYS 560 -10.908 -22.109 3.692 72 HG2 LYS 560 HG2 LYS 560 -12.822 -20.582 4.013 73 HG3 LYS 560 HG1 LYS 560 -11.897 -19.262 3.286 74 HD2 LYS 560 HD2 LYS 560 -12.715 -21.851 1.905 75 HD3 LYS 560 HD1 LYS 560 -13.463 -20.271 1.661 76 HE2 LYS 560 HE2 LYS 560 -11.349 -19.406 0.726 77 HE3 LYS 560 HE1 LYS 560 -10.573 -20.965 1.011 78 HZ1 LYS 560 HZ1 LYS 560 -12.012 -21.979 -0.557 79 HZ2 LYS 560 HZ2 LYS 560 -11.324 -20.620 -1.281 80 HZ3 LYS 560 HZ3 LYS 560 -12.922 -20.572 -0.739 81 H LEU 561 HN LEU 561 -7.773 -20.358 4.413 82 HA LEU 561 HA LEU 561 -6.713 -22.921 5.034 83 HB2 LEU 561 HB2 LEU 561 -5.260 -20.263 4.676 84 HB3 LEU 561 HB1 LEU 561 -4.463 -21.828 4.762 85 HG LEU 561 HG LEU 561 -6.322 -20.857 2.560 86 HD11 LEU 561 HD11 LEU 561 -4.351 -20.995 1.113 87 HD12 LEU 561 HD12 LEU 561 -3.354 -21.474 2.493 88 HD13 LEU 561 HD13 LEU 561 -4.102 -19.874 2.451 89 HD21 LEU 561 HD21 LEU 561 -5.023 -23.588 2.846 90 HD22 LEU 561 HD22 LEU 561 -5.858 -22.996 1.406 91 HD23 LEU 561 HD23 LEU 561 -6.749 -23.220 2.906 92 H LEU 562 HN LEU 562 -6.944 -19.891 6.848 93 HA LEU 562 HA LEU 562 -5.251 -20.596 9.020 94 HB2 LEU 562 HB2 LEU 562 -5.926 -18.242 8.581 95 HB3 LEU 562 HB1 LEU 562 -7.592 -18.644 8.969 96 HG LEU 562 HG LEU 562 -6.902 -19.166 11.326 97 HD11 LEU 562 HD11 LEU 562 -4.689 -18.500 12.156 98 HD12 LEU 562 HD12 LEU 562 -4.161 -18.145 10.509 99 HD13 LEU 562 HD13 LEU 562 -4.572 -19.800 10.969 100 HD21 LEU 562 HD21 LEU 562 -6.194 -16.361 10.408 101 HD22 LEU 562 HD22 LEU 562 -6.600 -16.841 12.058 102 HD23 LEU 562 HD23 LEU 562 -7.811 -16.962 10.784 103 H GLU 563 HN GLU 563 -8.832 -20.599 8.703 104 HA GLU 563 HA GLU 563 -9.345 -21.749 11.256 105 HB2 GLU 563 HB2 GLU 563 -11.201 -21.584 8.840 106 HB3 GLU 563 HB1 GLU 563 -11.698 -21.948 10.496 107 HG2 GLU 563 HG2 GLU 563 -10.789 -19.707 11.177 108 HG3 GLU 563 HG1 GLU 563 -10.523 -19.348 9.472 109 H GLN 564 HN GLN 564 -8.740 -23.168 8.133 110 HA GLN 564 HA GLN 564 -9.530 -25.848 8.757 111 HB2 GLN 564 HB2 GLN 564 -9.253 -25.142 6.408 112 HB3 GLN 564 HB1 GLN 564 -7.552 -24.798 6.683 113 HG2 GLN 564 HG2 GLN 564 -7.837 -26.900 5.473 114 HG3 GLN 564 HG1 GLN 564 -7.111 -27.195 7.051 115 HE21 GLN 564 HE21 GLN 564 -8.318 -28.314 8.632 116 HE22 GLN 564 HE22 GLN 564 -9.751 -29.195 8.239 117 H ALA 565 HN ALA 565 -6.454 -24.051 8.853 118 HA ALA 565 HA ALA 565 -4.833 -26.183 9.824 119 HB1 ALA 565 HB1 ALA 565 -4.329 -23.189 9.887 120 HB2 ALA 565 HB2 ALA 565 -3.913 -24.283 8.565 121 HB3 ALA 565 HB3 ALA 565 -3.113 -24.453 10.130 122 H LEU 566 HN LEU 566 -6.847 -23.793 11.399 123 HA LEU 566 HA LEU 566 -5.862 -24.065 14.074 124 HB2 LEU 566 HB2 LEU 566 -8.549 -23.114 13.003 125 HB3 LEU 566 HB1 LEU 566 -8.108 -23.045 14.703 126 HG LEU 566 HG LEU 566 -6.610 -21.549 12.505 127 HD11 LEU 566 HD11 LEU 566 -8.728 -20.485 14.400 128 HD12 LEU 566 HD12 LEU 566 -8.884 -20.685 12.654 129 HD13 LEU 566 HD13 LEU 566 -7.741 -19.516 13.303 130 HD21 LEU 566 HD21 LEU 566 -5.572 -20.299 14.355 131 HD22 LEU 566 HD22 LEU 566 -5.223 -22.023 14.475 132 HD23 LEU 566 HD23 LEU 566 -6.439 -21.296 15.530 133 H LYS 567 HN LYS 567 -8.007 -25.932 12.071 134 HA LYS 567 HA LYS 567 -9.060 -27.518 14.304 135 HB2 LYS 567 HB2 LYS 567 -10.625 -26.734 12.514 136 HB3 LYS 567 HB1 LYS 567 -9.715 -27.657 11.326 137 HG2 LYS 567 HG2 LYS 567 -11.770 -28.828 12.003 138 HG3 LYS 567 HG1 LYS 567 -10.324 -29.757 12.422 139 HD2 LYS 567 HD2 LYS 567 -10.514 -28.877 14.777 140 HD3 LYS 567 HD1 LYS 567 -12.035 -28.095 14.325 141 HE2 LYS 567 HE2 LYS 567 -13.021 -30.301 13.835 142 HE3 LYS 567 HE1 LYS 567 -11.477 -31.081 14.211 143 HZ1 LYS 567 HZ1 LYS 567 -11.663 -30.239 16.471 144 HZ2 LYS 567 HZ2 LYS 567 -12.980 -31.209 16.060 145 HZ3 LYS 567 HZ3 LYS 567 -13.152 -29.534 16.102 146 H THR 568 HN THR 568 -6.959 -27.792 11.479 147 HA THR 568 HA THR 568 -6.491 -30.603 11.550 148 HB THR 568 HB THR 568 -4.803 -28.379 10.295 149 HG1 THR 568 HG1 THR 568 -7.122 -29.718 9.525 150 HG21 THR 568 HG21 THR 568 -3.492 -30.471 10.514 151 HG22 THR 568 HG22 THR 568 -3.885 -30.153 8.825 152 HG23 THR 568 HG23 THR 568 -4.790 -31.374 9.722 153 H TYR 569 HN TYR 569 -4.680 -27.772 12.658 154 HA TYR 569 HA TYR 569 -3.162 -29.418 14.593 155 HB2 TYR 569 HB2 TYR 569 -2.564 -26.486 14.042 156 HB3 TYR 569 HB1 TYR 569 -1.478 -27.738 14.643 157 HD1 TYR 569 HD2 TYR 569 -1.224 -29.817 12.829 158 HD2 TYR 569 HD1 TYR 569 -2.128 -25.735 11.898 159 HE1 TYR 569 HE2 TYR 569 -0.408 -30.157 10.527 160 HE2 TYR 569 HE1 TYR 569 -1.328 -26.088 9.596 161 HH TYR 569 HH TYR 569 -0.693 -29.180 8.319 162 HA PRO 570 HA PRO 570 -6.505 -27.532 17.166 163 HB2 PRO 570 HB2 PRO 570 -6.200 -29.220 19.324 164 HB3 PRO 570 HB1 PRO 570 -7.124 -29.658 17.878 165 HG2 PRO 570 HG2 PRO 570 -4.280 -30.378 18.603 166 HG3 PRO 570 HG1 PRO 570 -5.564 -31.418 17.943 167 HD2 PRO 570 HD2 PRO 570 -3.618 -30.373 16.360 168 HD3 PRO 570 HD1 PRO 570 -5.271 -30.613 15.759 169 H VAL 571 HN VAL 571 -6.439 -26.693 19.486 170 HA VAL 571 HA VAL 571 -4.290 -24.894 19.815 171 HB VAL 571 HB VAL 571 -6.554 -24.389 20.635 172 HG11 VAL 571 HG11 VAL 571 -7.478 -25.428 22.695 173 HG12 VAL 571 HG12 VAL 571 -6.105 -26.534 22.757 174 HG13 VAL 571 HG13 VAL 571 -7.246 -26.621 21.413 175 HG21 VAL 571 HG21 VAL 571 -5.937 -23.321 22.776 176 HG22 VAL 571 HG22 VAL 571 -4.620 -23.177 21.611 177 HG23 VAL 571 HG23 VAL 571 -4.522 -24.372 22.904 178 H ASN 572 HN ASN 572 -4.739 -28.137 20.901 179 HA ASN 572 HA ASN 572 -2.981 -28.317 23.111 180 HB2 ASN 572 HB2 ASN 572 -3.673 -30.502 21.091 181 HB3 ASN 572 HB1 ASN 572 -3.069 -30.753 22.726 182 HD21 ASN 572 HD21 ASN 572 -4.483 -30.345 24.504 183 HD22 ASN 572 HD22 ASN 572 -6.195 -30.293 24.279 184 H THR 573 HN THR 573 -2.448 -28.297 19.656 185 HA THR 573 HA THR 573 0.156 -29.431 19.569 186 HB THR 573 HB THR 573 -1.169 -27.538 17.568 187 HG1 THR 573 HG1 THR 573 -1.955 -29.929 18.324 188 HG21 THR 573 HG21 THR 573 0.287 -28.632 15.892 189 HG22 THR 573 HG22 THR 573 1.039 -29.604 17.157 190 HG23 THR 573 HG23 THR 573 1.263 -27.852 17.140 191 HA PRO 574 HA PRO 574 2.171 -25.719 21.351 192 HB2 PRO 574 HB2 PRO 574 4.756 -26.659 21.324 193 HB3 PRO 574 HB1 PRO 574 3.567 -27.144 22.541 194 HG2 PRO 574 HG2 PRO 574 4.396 -28.597 20.023 195 HG3 PRO 574 HG1 PRO 574 4.193 -29.243 21.668 196 HD2 PRO 574 HD2 PRO 574 2.263 -29.543 19.800 197 HD3 PRO 574 HD1 PRO 574 1.852 -29.276 21.510 198 H GLU 575 HN GLU 575 3.136 -27.315 18.359 199 HA GLU 575 HA GLU 575 4.243 -24.806 17.266 200 HB2 GLU 575 HB2 GLU 575 4.472 -27.681 16.278 201 HB3 GLU 575 HB1 GLU 575 5.058 -26.278 15.385 202 HG2 GLU 575 HG2 GLU 575 6.481 -25.752 17.458 203 HG3 GLU 575 HG1 GLU 575 6.084 -27.381 18.008 204 H ARG 576 HN ARG 576 1.340 -25.374 17.668 205 HA ARG 576 HA ARG 576 -0.160 -25.888 15.419 206 HB2 ARG 576 HB2 ARG 576 -1.019 -25.168 17.739 207 HB3 ARG 576 HB1 ARG 576 -0.699 -23.508 17.254 208 HG2 ARG 576 HG2 ARG 576 -2.313 -23.884 15.303 209 HG3 ARG 576 HG1 ARG 576 -2.733 -25.423 16.064 210 HD2 ARG 576 HD2 ARG 576 -3.237 -24.008 18.183 211 HD3 ARG 576 HD1 ARG 576 -3.188 -22.623 17.086 212 HE ARG 576 HE ARG 576 -4.965 -24.515 16.009 213 HH11 ARG 576 HH11 ARG 576 -4.791 -22.390 18.802 214 HH12 ARG 576 HH12 ARG 576 -6.510 -22.305 18.982 215 HH21 ARG 576 HH21 ARG 576 -7.223 -24.388 16.303 216 HH22 ARG 576 HH22 ARG 576 -7.874 -23.411 17.573 217 H TRP 577 HN TRP 577 1.087 -22.691 16.363 218 HA TRP 577 HA TRP 577 0.279 -21.299 14.020 219 HB2 TRP 577 HB2 TRP 577 2.336 -20.496 16.123 220 HB3 TRP 577 HB1 TRP 577 1.529 -19.409 14.994 221 HD1 TRP 577 HD1 TRP 577 1.154 -20.836 18.421 222 HE1 TRP 577 HE1 TRP 577 -1.160 -20.275 19.384 223 HE3 TRP 577 HE3 TRP 577 -1.143 -19.158 14.155 224 HZ2 TRP 577 HZ2 TRP 577 -3.628 -19.287 18.477 225 HZ3 TRP 577 HZ3 TRP 577 -3.494 -18.433 14.294 226 HH2 TRP 577 HH2 TRP 577 -4.705 -18.501 16.413 227 H LYS 578 HN LYS 578 3.223 -22.936 14.925 228 HA LYS 578 HA LYS 578 5.048 -21.879 13.037 229 HB2 LYS 578 HB2 LYS 578 4.953 -24.650 14.308 230 HB3 LYS 578 HB1 LYS 578 6.361 -23.947 13.508 231 HG2 LYS 578 HG2 LYS 578 5.047 -22.684 15.939 232 HG3 LYS 578 HG1 LYS 578 6.325 -23.902 16.066 233 HD2 LYS 578 HD2 LYS 578 6.615 -21.276 14.547 234 HD3 LYS 578 HD1 LYS 578 7.122 -21.509 16.227 235 HE2 LYS 578 HE2 LYS 578 8.199 -23.005 13.801 236 HE3 LYS 578 HE1 LYS 578 9.046 -21.764 14.728 237 HZ1 LYS 578 HZ1 LYS 578 8.248 -24.468 15.682 238 HZ2 LYS 578 HZ2 LYS 578 8.878 -23.263 16.684 239 HZ3 LYS 578 HZ3 LYS 578 9.820 -23.891 15.431 240 H LYS 579 HN LYS 579 2.847 -24.651 12.940 241 HA LYS 579 HA LYS 579 3.502 -25.405 10.227 242 HB2 LYS 579 HB2 LYS 579 1.342 -26.356 12.148 243 HB3 LYS 579 HB1 LYS 579 1.654 -27.078 10.566 244 HG2 LYS 579 HG2 LYS 579 3.900 -27.736 11.261 245 HG3 LYS 579 HG1 LYS 579 3.698 -26.903 12.808 246 HD2 LYS 579 HD2 LYS 579 1.962 -28.477 13.483 247 HD3 LYS 579 HD1 LYS 579 1.996 -29.262 11.903 248 HE2 LYS 579 HE2 LYS 579 3.206 -30.608 13.555 249 HE3 LYS 579 HE1 LYS 579 4.328 -30.003 12.337 250 HZ1 LYS 579 HZ1 LYS 579 5.279 -29.775 14.504 251 HZ2 LYS 579 HZ2 LYS 579 3.932 -28.933 15.075 252 HZ3 LYS 579 HZ3 LYS 579 4.938 -28.230 13.913 253 H ILE 580 HN ILE 580 1.092 -23.402 11.811 254 HA ILE 580 HA ILE 580 -0.640 -22.986 9.579 255 HB ILE 580 HB ILE 580 -0.103 -21.312 12.068 256 HG12 ILE 580 HG12 ILE 580 -2.482 -23.038 11.278 257 HG13 ILE 580 HG11 ILE 580 -1.238 -23.499 12.423 258 HG21 ILE 580 HG21 ILE 580 -2.265 -20.751 10.006 259 HG22 ILE 580 HG22 ILE 580 -0.849 -19.744 10.319 260 HG23 ILE 580 HG23 ILE 580 -2.082 -19.938 11.563 261 HD11 ILE 580 HD11 ILE 580 -3.248 -22.843 13.565 262 HD12 ILE 580 HD12 ILE 580 -3.243 -21.277 12.756 263 HD13 ILE 580 HD13 ILE 580 -1.966 -21.681 13.908 264 H ALA 581 HN ALA 581 2.461 -21.572 10.498 265 HA ALA 581 HA ALA 581 2.677 -19.450 8.689 266 HB1 ALA 581 HB1 ALA 581 5.101 -19.691 8.831 267 HB2 ALA 581 HB2 ALA 581 4.933 -21.323 9.495 268 HB3 ALA 581 HB3 ALA 581 4.379 -19.923 10.421 269 H GLU 582 HN GLU 582 3.117 -22.871 8.190 270 HA GLU 582 HA GLU 582 4.025 -22.639 5.447 271 HB2 GLU 582 HB2 GLU 582 3.267 -25.104 7.085 272 HB3 GLU 582 HB1 GLU 582 4.207 -25.090 5.586 273 HG2 GLU 582 HG2 GLU 582 6.033 -23.905 6.686 274 HG3 GLU 582 HG1 GLU 582 5.083 -23.726 8.163 275 H ALA 583 HN ALA 583 1.073 -23.428 7.185 276 HA ALA 583 HA ALA 583 -0.429 -24.455 4.952 277 HB1 ALA 583 HB1 ALA 583 -1.394 -23.517 7.690 278 HB2 ALA 583 HB2 ALA 583 -0.896 -25.160 7.273 279 HB3 ALA 583 HB3 ALA 583 -2.330 -24.460 6.523 280 H VAL 584 HN VAL 584 -0.018 -21.305 6.445 281 HA VAL 584 HA VAL 584 -1.930 -20.027 4.572 282 HB VAL 584 HB VAL 584 -1.174 -18.943 7.329 283 HG11 VAL 584 HG11 VAL 584 -3.081 -17.395 6.977 284 HG12 VAL 584 HG12 VAL 584 -3.356 -18.101 5.382 285 HG13 VAL 584 HG13 VAL 584 -1.861 -17.219 5.709 286 HG21 VAL 584 HG21 VAL 584 -3.429 -19.637 8.105 287 HG22 VAL 584 HG22 VAL 584 -2.435 -21.024 7.653 288 HG23 VAL 584 HG23 VAL 584 -3.700 -20.456 6.561 289 HA PRO 585 HA PRO 585 2.194 -18.228 3.483 290 HB2 PRO 585 HB2 PRO 585 1.758 -17.901 0.823 291 HB3 PRO 585 HB1 PRO 585 2.130 -19.487 1.514 292 HG2 PRO 585 HG2 PRO 585 -0.546 -18.334 0.742 293 HG3 PRO 585 HG1 PRO 585 0.095 -19.961 0.434 294 HD2 PRO 585 HD2 PRO 585 -1.631 -19.380 2.509 295 HD3 PRO 585 HD1 PRO 585 -0.464 -20.720 2.559 296 H GLY 586 HN GLY 586 2.822 -16.115 3.125 297 HA2 GLY 586 HA2 GLY 586 2.730 -13.879 2.530 298 HA3 GLY 586 HA1 GLY 586 1.056 -14.082 2.060 299 H ARG 587 HN ARG 587 1.088 -15.308 5.069 300 HA ARG 587 HA ARG 587 0.393 -12.736 6.352 301 HB2 ARG 587 HB2 ARG 587 -0.890 -15.462 6.855 302 HB3 ARG 587 HB1 ARG 587 -1.359 -13.936 7.609 303 HG2 ARG 587 HG2 ARG 587 -1.596 -14.616 4.650 304 HG3 ARG 587 HG1 ARG 587 -2.923 -14.622 5.818 305 HD2 ARG 587 HD2 ARG 587 -2.849 -12.253 6.053 306 HD3 ARG 587 HD1 ARG 587 -1.277 -12.135 5.252 307 HE ARG 587 HE ARG 587 -3.861 -12.742 3.920 308 HH11 ARG 587 HH11 ARG 587 -0.520 -11.630 3.672 309 HH12 ARG 587 HH12 ARG 587 -0.689 -11.156 2.017 310 HH21 ARG 587 HH21 ARG 587 -4.015 -12.162 1.731 311 HH22 ARG 587 HH22 ARG 587 -2.642 -11.477 0.923 312 H THR 588 HN THR 588 0.936 -12.442 8.505 313 HA THR 588 HA THR 588 3.105 -14.134 9.569 314 HB THR 588 HB THR 588 3.334 -12.210 11.239 315 HG1 THR 588 HG1 THR 588 2.097 -10.360 10.904 316 HG21 THR 588 HG21 THR 588 4.302 -10.591 9.633 317 HG22 THR 588 HG22 THR 588 3.476 -11.399 8.299 318 HG23 THR 588 HG23 THR 588 4.741 -12.242 9.198 319 H LYS 589 HN LYS 589 3.111 -14.762 11.793 320 HA LYS 589 HA LYS 589 0.652 -16.131 12.429 321 HB2 LYS 589 HB2 LYS 589 3.472 -16.217 13.491 322 HB3 LYS 589 HB1 LYS 589 2.190 -17.010 14.388 323 HG2 LYS 589 HG2 LYS 589 3.575 -18.445 12.765 324 HG3 LYS 589 HG1 LYS 589 1.825 -18.632 12.723 325 HD2 LYS 589 HD2 LYS 589 3.036 -16.673 10.781 326 HD3 LYS 589 HD1 LYS 589 3.346 -18.373 10.485 327 HE2 LYS 589 HE2 LYS 589 0.880 -18.806 10.449 328 HE3 LYS 589 HE1 LYS 589 0.600 -17.090 10.712 329 HZ1 LYS 589 HZ1 LYS 589 0.355 -17.623 8.413 330 HZ2 LYS 589 HZ2 LYS 589 1.907 -18.298 8.351 331 HZ3 LYS 589 HZ3 LYS 589 1.721 -16.642 8.618 332 H LYS 590 HN LYS 590 2.429 -13.410 13.759 333 HA LYS 590 HA LYS 590 0.965 -13.017 16.116 334 HB2 LYS 590 HB2 LYS 590 1.533 -10.574 15.831 335 HB3 LYS 590 HB1 LYS 590 2.915 -11.661 15.754 336 HG2 LYS 590 HG2 LYS 590 3.013 -11.452 13.331 337 HG3 LYS 590 HG1 LYS 590 1.536 -10.479 13.314 338 HD2 LYS 590 HD2 LYS 590 4.126 -9.652 14.705 339 HD3 LYS 590 HD1 LYS 590 3.666 -9.143 13.078 340 HE2 LYS 590 HE2 LYS 590 2.054 -8.557 15.592 341 HE3 LYS 590 HE1 LYS 590 3.160 -7.424 14.812 342 HZ1 LYS 590 HZ1 LYS 590 0.697 -8.584 13.618 343 HZ2 LYS 590 HZ2 LYS 590 1.786 -7.583 12.803 344 HZ3 LYS 590 HZ3 LYS 590 0.919 -6.983 14.124 345 H ASP 591 HN ASP 591 0.292 -11.926 12.765 346 HA ASP 591 HA ASP 591 -2.225 -10.689 13.279 347 HB2 ASP 591 HB2 ASP 591 -0.871 -11.663 10.735 348 HB3 ASP 591 HB1 ASP 591 -2.513 -11.018 10.704 349 H CYS 592 HN CYS 592 -1.279 -13.996 12.599 350 HA CYS 592 HA CYS 592 -3.872 -15.048 12.027 351 HB2 CYS 592 HB2 CYS 592 -1.383 -16.454 13.085 352 HB3 CYS 592 HB1 CYS 592 -2.825 -17.279 12.488 353 HG CYS 592 HG CYS 592 -1.518 -15.060 10.365 354 H MET 593 HN MET 593 -2.075 -14.415 14.987 355 HA MET 593 HA MET 593 -3.887 -15.769 16.793 356 HB2 MET 593 HB2 MET 593 -1.687 -13.710 17.294 357 HB3 MET 593 HB1 MET 593 -2.573 -14.534 18.567 358 HG2 MET 593 HG2 MET 593 -1.655 -16.676 17.883 359 HG3 MET 593 HG1 MET 593 -0.883 -15.929 16.483 360 HE1 MET 593 HE1 MET 593 2.303 -16.667 18.555 361 HE2 MET 593 HE2 MET 593 1.595 -16.637 16.939 362 HE3 MET 593 HE3 MET 593 0.917 -17.692 18.184 363 H LYS 594 HN LYS 594 -3.371 -12.398 15.751 364 HA LYS 594 HA LYS 594 -5.326 -11.099 17.338 365 HB2 LYS 594 HB2 LYS 594 -4.450 -10.329 14.510 366 HB3 LYS 594 HB1 LYS 594 -5.223 -9.263 15.683 367 HG2 LYS 594 HG2 LYS 594 -2.472 -10.504 15.970 368 HG3 LYS 594 HG1 LYS 594 -2.785 -8.852 15.446 369 HD2 LYS 594 HD2 LYS 594 -3.732 -9.868 18.155 370 HD3 LYS 594 HD1 LYS 594 -2.085 -9.285 17.920 371 HE2 LYS 594 HE2 LYS 594 -3.426 -7.491 18.821 372 HE3 LYS 594 HE1 LYS 594 -3.012 -7.093 17.156 373 HZ1 LYS 594 HZ1 LYS 594 -5.208 -7.712 16.471 374 HZ2 LYS 594 HZ2 LYS 594 -5.315 -6.602 17.737 375 HZ3 LYS 594 HZ3 LYS 594 -5.603 -8.235 18.029 376 H ARG 595 HN ARG 595 -5.475 -12.470 14.077 377 HA ARG 595 HA ARG 595 -8.181 -11.941 13.488 378 HB2 ARG 595 HB2 ARG 595 -6.414 -12.581 11.797 379 HB3 ARG 595 HB1 ARG 595 -6.462 -14.225 12.414 380 HG2 ARG 595 HG2 ARG 595 -7.751 -14.065 10.357 381 HG3 ARG 595 HG1 ARG 595 -8.834 -14.424 11.706 382 HD2 ARG 595 HD2 ARG 595 -9.539 -12.077 11.796 383 HD3 ARG 595 HD1 ARG 595 -8.397 -11.657 10.511 384 HE ARG 595 HE ARG 595 -9.752 -13.322 9.128 385 HH11 ARG 595 HH11 ARG 595 -11.212 -11.274 11.576 386 HH12 ARG 595 HH12 ARG 595 -12.767 -11.269 10.811 387 HH21 ARG 595 HH21 ARG 595 -11.781 -13.350 8.164 388 HH22 ARG 595 HH22 ARG 595 -13.095 -12.464 8.871 389 H TYR 596 HN TYR 596 -6.549 -14.813 14.831 390 HA TYR 596 HA TYR 596 -8.754 -16.540 15.113 391 HB2 TYR 596 HB2 TYR 596 -6.471 -17.363 15.275 392 HB3 TYR 596 HB1 TYR 596 -6.164 -16.390 16.706 393 HD1 TYR 596 HD2 TYR 596 -8.767 -18.932 15.663 394 HD2 TYR 596 HD1 TYR 596 -5.999 -17.660 18.655 395 HE1 TYR 596 HE2 TYR 596 -9.381 -20.861 17.042 396 HE2 TYR 596 HE1 TYR 596 -6.612 -19.592 20.046 397 HH TYR 596 HH TYR 596 -8.473 -21.181 20.304 398 H LYS 597 HN LYS 597 -7.453 -14.072 17.312 399 HA LYS 597 HA LYS 597 -9.041 -14.507 19.583 400 HB2 LYS 597 HB2 LYS 597 -7.224 -12.916 19.740 401 HB3 LYS 597 HB1 LYS 597 -7.885 -11.941 18.431 402 HG2 LYS 597 HG2 LYS 597 -9.810 -11.314 19.882 403 HG3 LYS 597 HG1 LYS 597 -9.110 -12.265 21.200 404 HD2 LYS 597 HD2 LYS 597 -7.199 -10.772 21.338 405 HD3 LYS 597 HD1 LYS 597 -7.695 -9.928 19.867 406 HE2 LYS 597 HE2 LYS 597 -9.252 -9.942 22.478 407 HE3 LYS 597 HE1 LYS 597 -8.221 -8.627 21.906 408 HZ1 LYS 597 HZ1 LYS 597 -10.531 -8.195 21.401 409 HZ2 LYS 597 HZ2 LYS 597 -10.654 -9.643 20.547 410 HZ3 LYS 597 HZ3 LYS 597 -9.664 -8.411 19.963 411 H GLU 598 HN GLU 598 -9.608 -12.458 16.736 412 HA GLU 598 HA GLU 598 -12.167 -11.521 17.455 413 HB2 GLU 598 HB2 GLU 598 -11.004 -11.786 14.645 414 HB3 GLU 598 HB1 GLU 598 -12.369 -10.773 15.117 415 HG2 GLU 598 HG2 GLU 598 -9.483 -10.440 16.002 416 HG3 GLU 598 HG1 GLU 598 -10.341 -9.434 14.838 417 H LEU 599 HN LEU 599 -11.121 -14.360 15.573 418 HA LEU 599 HA LEU 599 -13.642 -15.128 14.518 419 HB2 LEU 599 HB2 LEU 599 -11.222 -16.882 15.123 420 HB3 LEU 599 HB1 LEU 599 -12.589 -17.356 14.119 421 HG LEU 599 HG LEU 599 -10.584 -15.165 13.494 422 HD11 LEU 599 HD11 LEU 599 -9.808 -16.606 11.689 423 HD12 LEU 599 HD12 LEU 599 -10.950 -17.865 12.177 424 HD13 LEU 599 HD13 LEU 599 -9.633 -17.393 13.257 425 HD21 LEU 599 HD21 LEU 599 -11.701 -14.924 11.326 426 HD22 LEU 599 HD22 LEU 599 -12.791 -14.535 12.653 427 HD23 LEU 599 HD23 LEU 599 -12.940 -16.084 11.816 428 H VAL 600 HN VAL 600 -11.829 -16.207 17.387 429 HA VAL 600 HA VAL 600 -13.693 -18.223 18.125 430 HB VAL 600 HB VAL 600 -11.231 -18.267 18.717 431 HG11 VAL 600 HG11 VAL 600 -10.933 -15.954 19.507 432 HG12 VAL 600 HG12 VAL 600 -10.420 -17.108 20.741 433 HG13 VAL 600 HG13 VAL 600 -11.971 -16.280 20.895 434 HG21 VAL 600 HG21 VAL 600 -12.783 -19.852 19.756 435 HG22 VAL 600 HG22 VAL 600 -13.168 -18.688 21.023 436 HG23 VAL 600 HG23 VAL 600 -11.546 -19.374 20.922 437 H GLU 601 HN GLU 601 -13.239 -14.812 19.109 438 HA GLU 601 HA GLU 601 -15.140 -14.965 21.274 439 HB2 GLU 601 HB2 GLU 601 -14.941 -12.552 21.474 440 HB3 GLU 601 HB1 GLU 601 -13.336 -13.243 21.251 441 HG2 GLU 601 HG2 GLU 601 -13.357 -12.549 18.894 442 HG3 GLU 601 HG1 GLU 601 -14.980 -11.884 19.090 443 H MET 602 HN MET 602 -15.329 -14.048 17.819 444 HA MET 602 HA MET 602 -17.978 -12.989 17.908 445 HB2 MET 602 HB2 MET 602 -16.296 -14.024 15.592 446 HB3 MET 602 HB1 MET 602 -17.941 -13.456 15.346 447 HG2 MET 602 HG2 MET 602 -17.255 -11.242 16.304 448 HG3 MET 602 HG1 MET 602 -15.597 -11.834 16.356 449 HE1 MET 602 HE1 MET 602 -14.856 -12.345 12.482 450 HE2 MET 602 HE2 MET 602 -15.489 -13.569 13.583 451 HE3 MET 602 HE3 MET 602 -14.189 -12.497 14.108 452 H VAL 603 HN VAL 603 -16.716 -16.263 17.205 453 HA VAL 603 HA VAL 603 -19.271 -17.317 16.459 454 HB VAL 603 HB VAL 603 -18.272 -19.556 16.504 455 HG11 VAL 603 HG11 VAL 603 -16.517 -19.235 14.783 456 HG12 VAL 603 HG12 VAL 603 -16.409 -17.523 15.205 457 HG13 VAL 603 HG13 VAL 603 -17.897 -18.166 14.508 458 HG21 VAL 603 HG21 VAL 603 -15.909 -19.952 17.151 459 HG22 VAL 603 HG22 VAL 603 -16.869 -19.394 18.522 460 HG23 VAL 603 HG23 VAL 603 -15.778 -18.277 17.699 461 H LYS 604 HN LYS 604 -17.483 -17.195 19.549 462 HA LYS 604 HA LYS 604 -19.393 -18.841 20.972 463 HB2 LYS 604 HB2 LYS 604 -17.207 -17.002 22.029 464 HB3 LYS 604 HB1 LYS 604 -18.164 -18.088 23.033 465 HG2 LYS 604 HG2 LYS 604 -17.230 -20.013 21.739 466 HG3 LYS 604 HG1 LYS 604 -16.217 -18.879 20.847 467 HD2 LYS 604 HD2 LYS 604 -16.097 -19.400 23.853 468 HD3 LYS 604 HD1 LYS 604 -14.954 -19.997 22.652 469 HE2 LYS 604 HE2 LYS 604 -13.842 -18.153 23.614 470 HE3 LYS 604 HE1 LYS 604 -14.499 -17.489 22.124 471 HZ1 LYS 604 HZ1 LYS 604 -15.752 -17.206 24.798 472 HZ2 LYS 604 HZ2 LYS 604 -16.255 -16.472 23.363 473 HZ3 LYS 604 HZ3 LYS 604 -14.781 -16.042 24.053 474 H ALA 605 HN ALA 605 -19.010 -15.379 20.347 475 HA ALA 605 HA ALA 605 -20.928 -14.477 22.310 476 HB1 ALA 605 HB1 ALA 605 -19.168 -12.964 21.481 477 HB2 ALA 605 HB2 ALA 605 -20.770 -12.282 21.198 478 HB3 ALA 605 HB3 ALA 605 -19.867 -13.009 19.861 479 H LYS 606 HN LYS 606 -21.025 -15.214 18.852 480 HA LYS 606 HA LYS 606 -23.781 -14.491 18.457 481 HB2 LYS 606 HB2 LYS 606 -22.122 -14.464 16.613 482 HB3 LYS 606 HB1 LYS 606 -21.912 -16.204 16.765 483 HG2 LYS 606 HG2 LYS 606 -24.148 -16.624 15.958 484 HG3 LYS 606 HG1 LYS 606 -24.551 -14.905 16.020 485 HD2 LYS 606 HD2 LYS 606 -24.091 -15.651 13.700 486 HD3 LYS 606 HD1 LYS 606 -22.943 -14.422 14.231 487 HE2 LYS 606 HE2 LYS 606 -21.788 -16.190 12.986 488 HE3 LYS 606 HE1 LYS 606 -21.262 -16.206 14.666 489 HZ1 LYS 606 HZ1 LYS 606 -23.234 -18.040 13.423 490 HZ2 LYS 606 HZ2 LYS 606 -22.815 -18.041 15.058 491 HZ3 LYS 606 HZ3 LYS 606 -21.657 -18.430 13.891 492 H LYS 607 HN LYS 607 -22.025 -17.457 19.255 493 HA LYS 607 HA LYS 607 -24.207 -19.272 19.194 494 HB2 LYS 607 HB2 LYS 607 -21.969 -20.195 19.285 495 HB3 LYS 607 HB1 LYS 607 -21.605 -19.334 20.775 496 HG2 LYS 607 HG2 LYS 607 -21.959 -21.698 21.255 497 HG3 LYS 607 HG1 LYS 607 -23.239 -20.744 21.993 498 HD2 LYS 607 HD2 LYS 607 -24.405 -22.579 21.102 499 HD3 LYS 607 HD1 LYS 607 -24.649 -21.343 19.873 500 HE2 LYS 607 HE2 LYS 607 -22.587 -23.576 19.738 501 HE3 LYS 607 HE1 LYS 607 -24.143 -23.578 18.912 502 HZ1 LYS 607 HZ1 LYS 607 -23.410 -21.578 17.719 503 HZ2 LYS 607 HZ2 LYS 607 -22.442 -22.930 17.410 504 HZ3 LYS 607 HZ3 LYS 607 -21.892 -21.714 18.449 505 H ALA 608 HN ALA 608 -22.801 -17.296 21.813 506 HA ALA 608 HA ALA 608 -24.533 -18.055 23.905 507 HB1 ALA 608 HB1 ALA 608 -23.041 -15.425 23.541 508 HB2 ALA 608 HB2 ALA 608 -22.388 -16.885 24.287 509 HB3 ALA 608 HB3 ALA 608 -23.722 -16.026 25.059 510 H ALA 609 HN ALA 609 -24.753 -15.567 21.424 511 HA ALA 609 HA ALA 609 -27.006 -14.137 22.396 512 HB1 ALA 609 HB1 ALA 609 -27.143 -13.171 20.128 513 HB2 ALA 609 HB2 ALA 609 -26.006 -14.388 19.533 514 HB3 ALA 609 HB3 ALA 609 -25.476 -13.183 20.710 515 H GLN 610 HN GLN 610 -26.666 -16.777 20.016 516 HA GLN 610 HA GLN 610 -29.471 -16.960 19.433 517 HB2 GLN 610 HB2 GLN 610 -27.741 -17.642 17.789 518 HB3 GLN 610 HB1 GLN 610 -27.223 -18.944 18.849 519 HG2 GLN 610 HG2 GLN 610 -28.622 -19.755 16.981 520 HG3 GLN 610 HG1 GLN 610 -29.354 -20.101 18.546 521 HE21 GLN 610 HE21 GLN 610 -31.316 -19.101 19.081 522 HE22 GLN 610 HE22 GLN 610 -32.244 -18.173 17.956 523 H GLU 611 HN GLU 611 -27.314 -18.510 21.722 524 HA GLU 611 HA GLU 611 -28.860 -20.800 22.367 525 HB2 GLU 611 HB2 GLU 611 -26.408 -20.549 22.820 526 HB3 GLU 611 HB1 GLU 611 -26.770 -19.362 24.063 527 HG2 GLU 611 HG2 GLU 611 -26.324 -21.384 25.202 528 HG3 GLU 611 HG1 GLU 611 -28.071 -21.177 25.273 529 H GLN 612 HN GLN 612 -28.439 -17.645 23.972 530 HA GLN 612 HA GLN 612 -30.186 -18.101 26.159 531 HB2 GLN 612 HB2 GLN 612 -30.003 -15.688 26.597 532 HB3 GLN 612 HB1 GLN 612 -28.426 -16.373 26.215 533 HG2 GLN 612 HG2 GLN 612 -28.604 -15.471 23.915 534 HG3 GLN 612 HG1 GLN 612 -30.172 -14.768 24.314 535 HE21 GLN 612 HE21 GLN 612 -29.413 -12.699 23.797 536 HE22 GLN 612 HE22 GLN 612 -28.338 -11.836 24.846 537 H VAL 613 HN VAL 613 -30.706 -16.626 22.963 538 HA VAL 613 HA VAL 613 -33.386 -15.712 23.374 539 HB VAL 613 HB VAL 613 -31.799 -16.252 20.819 540 HG11 VAL 613 HG11 VAL 613 -34.551 -14.951 21.037 541 HG12 VAL 613 HG12 VAL 613 -34.193 -16.500 20.268 542 HG13 VAL 613 HG13 VAL 613 -33.563 -15.006 19.574 543 HG21 VAL 613 HG21 VAL 613 -30.967 -14.379 22.211 544 HG22 VAL 613 HG22 VAL 613 -32.569 -13.635 22.174 545 HG23 VAL 613 HG23 VAL 613 -31.634 -13.791 20.684 546 H LEU 614 HN LEU 614 -31.969 -18.684 22.092 547 HA LEU 614 HA LEU 614 -34.347 -19.834 21.053 548 HB2 LEU 614 HB2 LEU 614 -31.871 -20.448 20.555 549 HB3 LEU 614 HB1 LEU 614 -31.919 -21.401 22.017 550 HG LEU 614 HG LEU 614 -32.196 -22.696 19.873 551 HD11 LEU 614 HD11 LEU 614 -32.931 -23.697 21.959 552 HD12 LEU 614 HD12 LEU 614 -33.977 -24.181 20.628 553 HD13 LEU 614 HD13 LEU 614 -34.525 -22.965 21.786 554 HD21 LEU 614 HD21 LEU 614 -34.299 -22.604 18.646 555 HD22 LEU 614 HD22 LEU 614 -33.508 -21.031 18.643 556 HD23 LEU 614 HD23 LEU 614 -34.892 -21.319 19.702 557 H ASN 615 HN ASN 615 -32.608 -20.197 24.128 558 HA ASN 615 HA ASN 615 -34.400 -22.089 25.298 559 HB2 ASN 615 HB2 ASN 615 -31.951 -21.658 25.953 560 HB3 ASN 615 HB1 ASN 615 -32.514 -20.225 26.805 561 HD21 ASN 615 HD21 ASN 615 -32.020 -20.928 28.887 562 HD22 ASN 615 HD22 ASN 615 -32.780 -22.284 29.644 563 H ALA 616 HN ALA 616 -34.275 -18.585 25.206 564 HA ALA 616 HA ALA 616 -36.233 -18.000 27.210 565 HB1 ALA 616 HB1 ALA 616 -34.601 -16.325 26.412 566 HB2 ALA 616 HB2 ALA 616 -36.255 -15.739 26.224 567 HB3 ALA 616 HB3 ALA 616 -35.358 -16.331 24.817 568 H SER 617 HN SER 617 -36.335 -18.572 23.730 569 HA SER 617 HA SER 617 -39.111 -18.020 23.298 570 HB2 SER 617 HB2 SER 617 -37.498 -17.924 21.447 571 HB3 SER 617 HB1 SER 617 -37.092 -19.625 21.651 572 HG SER 617 HG SER 617 -39.010 -20.202 20.806 573 H ARG 618 HN ARG 618 -37.223 -20.930 24.004 574 HA ARG 618 HA ARG 618 -39.366 -22.804 24.036 575 HB2 ARG 618 HB2 ARG 618 -36.611 -22.838 25.353 576 HB3 ARG 618 HB1 ARG 618 -37.740 -24.187 25.458 577 HG2 ARG 618 HG2 ARG 618 -36.566 -23.080 22.878 578 HG3 ARG 618 HG1 ARG 618 -36.020 -24.534 23.719 579 HD2 ARG 618 HD2 ARG 618 -38.299 -25.519 23.407 580 HD3 ARG 618 HD1 ARG 618 -38.755 -24.092 22.469 581 HE ARG 618 HE ARG 618 -36.547 -25.001 21.167 582 HH11 ARG 618 HH11 ARG 618 -39.550 -26.569 22.118 583 HH12 ARG 618 HH12 ARG 618 -39.480 -27.727 20.827 584 HH21 ARG 618 HH21 ARG 618 -36.510 -26.495 19.467 585 HH22 ARG 618 HH22 ARG 618 -37.761 -27.691 19.335 586 H ALA 619 HN ALA 619 -38.033 -20.557 26.358 587 HA ALA 619 HA ALA 619 -38.480 -19.900 28.465 588 HB1 ALA 619 HB1 ALA 619 -41.267 -20.969 27.894 589 HB2 ALA 619 HB2 ALA 619 -40.694 -19.344 27.518 590 HB3 ALA 619 HB3 ALA 619 -40.841 -19.858 29.200 591 H LYS 620 HN LYS 620 -37.381 -22.532 28.003 592 HA LYS 620 HA LYS 620 -38.425 -24.147 30.252 593 HB2 LYS 620 HB2 LYS 620 -38.314 -25.235 27.992 594 HB3 LYS 620 HB1 LYS 620 -36.573 -24.963 27.955 595 HG2 LYS 620 HG2 LYS 620 -36.318 -26.442 29.937 596 HG3 LYS 620 HG1 LYS 620 -38.064 -26.711 29.948 597 HD2 LYS 620 HD2 LYS 620 -37.877 -27.702 27.648 598 HD3 LYS 620 HD1 LYS 620 -36.118 -27.529 27.747 599 HE2 LYS 620 HE2 LYS 620 -36.794 -29.825 28.304 600 HE3 LYS 620 HE1 LYS 620 -36.105 -29.037 29.722 601 HZ1 LYS 620 HZ1 LYS 620 -38.330 -28.631 30.544 602 HZ2 LYS 620 HZ2 LYS 620 -38.107 -30.281 30.254 603 HZ3 LYS 620 HZ3 LYS 620 -39.002 -29.346 29.170 604 H LYS 621 HN LYS 621 -37.166 -24.332 32.075 605 HA LYS 621 HA LYS 621 -34.449 -23.147 32.031 606 HB2 LYS 621 HB2 LYS 621 -36.357 -23.597 34.361 607 HB3 LYS 621 HB1 LYS 621 -34.740 -22.919 34.503 608 HG2 LYS 621 HG2 LYS 621 -36.989 -21.649 32.894 609 HG3 LYS 621 HG1 LYS 621 -36.625 -21.235 34.567 610 HD2 LYS 621 HD2 LYS 621 -35.517 -19.525 33.432 611 HD3 LYS 621 HD1 LYS 621 -34.210 -20.690 33.626 612 HE2 LYS 621 HE2 LYS 621 -34.532 -21.442 31.288 613 HE3 LYS 621 HE1 LYS 621 -35.876 -20.317 31.091 614 HZ1 LYS 621 HZ1 LYS 621 -33.812 -19.495 30.156 615 HZ2 LYS 621 HZ2 LYS 621 -33.066 -19.569 31.672 616 HZ3 LYS 621 HZ3 LYS 621 -34.349 -18.498 31.410 Start of MODEL 7 1 H PHE 551 HN PHE 551 -1.832 -4.508 9.317 2 HA PHE 551 HA PHE 551 -0.173 -6.231 7.567 3 HB2 PHE 551 HB2 PHE 551 -1.668 -8.082 8.214 4 HB3 PHE 551 HB1 PHE 551 -0.997 -7.330 9.653 5 HD1 PHE 551 HD2 PHE 551 -2.485 -5.706 10.989 6 HD2 PHE 551 HD1 PHE 551 -4.051 -8.263 7.941 7 HE1 PHE 551 HE2 PHE 551 -4.755 -5.392 11.882 8 HE2 PHE 551 HE1 PHE 551 -6.318 -7.938 8.837 9 HZ PHE 551 HZ PHE 551 -6.669 -6.505 10.806 10 H THR 552 HN THR 552 -1.276 -7.232 5.725 11 HA THR 552 HA THR 552 -3.049 -5.457 4.296 12 HB THR 552 HB THR 552 -2.904 -7.187 2.465 13 HG1 THR 552 HG1 THR 552 -1.808 -9.061 2.785 14 HG21 THR 552 HG21 THR 552 -0.490 -6.955 2.006 15 HG22 THR 552 HG22 THR 552 -0.201 -6.456 3.675 16 HG23 THR 552 HG23 THR 552 -1.156 -5.432 2.594 17 HA PRO 553 HA PRO 553 -7.006 -7.287 5.553 18 HB2 PRO 553 HB2 PRO 553 -7.821 -6.934 2.668 19 HB3 PRO 553 HB1 PRO 553 -8.622 -6.375 4.145 20 HG2 PRO 553 HG2 PRO 553 -7.287 -4.642 2.633 21 HG3 PRO 553 HG1 PRO 553 -7.167 -4.545 4.403 22 HD2 PRO 553 HD2 PRO 553 -5.186 -5.704 2.430 23 HD3 PRO 553 HD1 PRO 553 -4.900 -4.676 3.856 24 H TRP 554 HN TRP 554 -7.614 -9.350 5.769 25 HA TRP 554 HA TRP 554 -6.463 -11.506 4.283 26 HB2 TRP 554 HB2 TRP 554 -8.649 -11.455 6.420 27 HB3 TRP 554 HB1 TRP 554 -7.966 -12.935 5.750 28 HD1 TRP 554 HD1 TRP 554 -6.601 -9.757 7.609 29 HE1 TRP 554 HE1 TRP 554 -4.748 -10.536 9.213 30 HE3 TRP 554 HE3 TRP 554 -6.564 -14.735 6.450 31 HZ2 TRP 554 HZ2 TRP 554 -3.433 -12.937 9.896 32 HZ3 TRP 554 HZ3 TRP 554 -4.984 -16.212 7.625 33 HH2 TRP 554 HH2 TRP 554 -3.453 -15.329 9.313 34 H THR 555 HN THR 555 -7.214 -12.416 2.490 35 HA THR 555 HA THR 555 -9.867 -11.735 1.445 36 HB THR 555 HB THR 555 -9.101 -12.791 -0.663 37 HG1 THR 555 HG1 THR 555 -6.842 -13.468 -0.749 38 HG21 THR 555 HG21 THR 555 -7.302 -11.174 -1.240 39 HG22 THR 555 HG22 THR 555 -7.088 -10.800 0.471 40 HG23 THR 555 HG23 THR 555 -8.605 -10.396 -0.339 41 H THR 556 HN THR 556 -10.796 -13.773 0.095 42 HA THR 556 HA THR 556 -12.001 -15.480 1.924 43 HB THR 556 HB THR 556 -11.637 -15.991 -1.064 44 HG1 THR 556 HG1 THR 556 -13.042 -14.452 -1.389 45 HG21 THR 556 HG21 THR 556 -13.848 -16.892 0.821 46 HG22 THR 556 HG22 THR 556 -12.600 -17.935 0.134 47 HG23 THR 556 HG23 THR 556 -13.793 -17.173 -0.921 48 H GLU 557 HN GLU 557 -9.165 -16.086 -0.181 49 HA GLU 557 HA GLU 557 -8.910 -18.847 0.552 50 HB2 GLU 557 HB2 GLU 557 -6.743 -18.786 -0.660 51 HB3 GLU 557 HB1 GLU 557 -8.092 -18.162 -1.602 52 HG2 GLU 557 HG2 GLU 557 -7.328 -15.835 -1.065 53 HG3 GLU 557 HG1 GLU 557 -5.918 -16.520 -0.257 54 H GLU 558 HN GLU 558 -7.284 -15.837 1.634 55 HA GLU 558 HA GLU 558 -5.270 -17.033 3.228 56 HB2 GLU 558 HB2 GLU 558 -6.604 -14.320 3.691 57 HB3 GLU 558 HB1 GLU 558 -5.031 -14.822 4.320 58 HG2 GLU 558 HG2 GLU 558 -5.763 -14.382 1.412 59 HG3 GLU 558 HG1 GLU 558 -4.784 -13.323 2.414 60 H GLN 559 HN GLN 559 -8.575 -16.067 3.926 61 HA GLN 559 HA GLN 559 -8.463 -16.390 6.763 62 HB2 GLN 559 HB2 GLN 559 -10.053 -14.834 5.654 63 HB3 GLN 559 HB1 GLN 559 -10.875 -16.199 4.913 64 HG2 GLN 559 HG2 GLN 559 -12.136 -15.352 6.824 65 HG3 GLN 559 HG1 GLN 559 -11.584 -16.997 7.132 66 HE21 GLN 559 HE21 GLN 559 -9.996 -17.349 8.731 67 HE22 GLN 559 HE22 GLN 559 -9.586 -16.141 9.897 68 H LYS 560 HN LYS 560 -9.685 -18.439 4.061 69 HA LYS 560 HA LYS 560 -10.786 -20.475 5.746 70 HB2 LYS 560 HB2 LYS 560 -11.048 -21.863 3.781 71 HB3 LYS 560 HB1 LYS 560 -11.489 -20.215 3.368 72 HG2 LYS 560 HG2 LYS 560 -9.414 -19.883 2.171 73 HG3 LYS 560 HG1 LYS 560 -8.793 -21.437 2.723 74 HD2 LYS 560 HD2 LYS 560 -9.521 -21.585 0.395 75 HD3 LYS 560 HD1 LYS 560 -10.537 -22.602 1.419 76 HE2 LYS 560 HE2 LYS 560 -12.322 -20.901 1.361 77 HE3 LYS 560 HE1 LYS 560 -11.298 -19.830 0.400 78 HZ1 LYS 560 HZ1 LYS 560 -11.286 -21.468 -1.358 79 HZ2 LYS 560 HZ2 LYS 560 -12.873 -21.038 -0.964 80 HZ3 LYS 560 HZ3 LYS 560 -12.245 -22.515 -0.439 81 H LEU 561 HN LEU 561 -7.585 -20.000 4.304 82 HA LEU 561 HA LEU 561 -6.478 -22.560 4.866 83 HB2 LEU 561 HB2 LEU 561 -5.124 -19.857 4.543 84 HB3 LEU 561 HB1 LEU 561 -4.248 -21.376 4.657 85 HG LEU 561 HG LEU 561 -6.152 -20.589 2.419 86 HD11 LEU 561 HD11 LEU 561 -4.054 -19.351 2.322 87 HD12 LEU 561 HD12 LEU 561 -4.174 -20.500 0.994 88 HD13 LEU 561 HD13 LEU 561 -3.133 -20.858 2.377 89 HD21 LEU 561 HD21 LEU 561 -6.278 -22.978 2.817 90 HD22 LEU 561 HD22 LEU 561 -4.522 -23.119 2.731 91 HD23 LEU 561 HD23 LEU 561 -5.445 -22.654 1.299 92 H LEU 562 HN LEU 562 -6.698 -19.523 6.670 93 HA LEU 562 HA LEU 562 -5.182 -20.298 8.932 94 HB2 LEU 562 HB2 LEU 562 -5.736 -17.941 8.482 95 HB3 LEU 562 HB1 LEU 562 -7.444 -18.282 8.713 96 HG LEU 562 HG LEU 562 -7.020 -18.828 11.103 97 HD11 LEU 562 HD11 LEU 562 -4.866 -18.323 12.154 98 HD12 LEU 562 HD12 LEU 562 -4.144 -18.031 10.571 99 HD13 LEU 562 HD13 LEU 562 -4.743 -19.639 10.991 100 HD21 LEU 562 HD21 LEU 562 -6.615 -16.559 11.905 101 HD22 LEU 562 HD22 LEU 562 -7.701 -16.566 10.518 102 HD23 LEU 562 HD23 LEU 562 -6.014 -16.083 10.314 103 H GLU 563 HN GLU 563 -8.728 -20.233 8.409 104 HA GLU 563 HA GLU 563 -9.534 -21.272 10.891 105 HB2 GLU 563 HB2 GLU 563 -10.947 -21.322 8.192 106 HB3 GLU 563 HB1 GLU 563 -11.728 -21.764 9.712 107 HG2 GLU 563 HG2 GLU 563 -11.364 -19.503 10.579 108 HG3 GLU 563 HG1 GLU 563 -10.525 -19.048 9.097 109 H GLN 564 HN GLN 564 -8.753 -22.928 7.865 110 HA GLN 564 HA GLN 564 -9.517 -25.557 8.598 111 HB2 GLN 564 HB2 GLN 564 -9.090 -24.899 6.247 112 HB3 GLN 564 HB1 GLN 564 -7.389 -24.649 6.612 113 HG2 GLN 564 HG2 GLN 564 -7.758 -26.766 5.420 114 HG3 GLN 564 HG1 GLN 564 -7.100 -27.056 7.027 115 HE21 GLN 564 HE21 GLN 564 -8.402 -28.076 8.587 116 HE22 GLN 564 HE22 GLN 564 -9.881 -28.876 8.184 117 H ALA 565 HN ALA 565 -6.400 -23.841 8.755 118 HA ALA 565 HA ALA 565 -4.886 -25.952 9.920 119 HB1 ALA 565 HB1 ALA 565 -3.181 -24.237 10.309 120 HB2 ALA 565 HB2 ALA 565 -4.363 -22.957 9.998 121 HB3 ALA 565 HB3 ALA 565 -3.879 -24.054 8.700 122 H LEU 566 HN LEU 566 -6.981 -23.494 11.285 123 HA LEU 566 HA LEU 566 -6.181 -23.727 14.020 124 HB2 LEU 566 HB2 LEU 566 -8.760 -22.713 12.787 125 HB3 LEU 566 HB1 LEU 566 -8.368 -22.574 14.494 126 HG LEU 566 HG LEU 566 -6.738 -21.278 12.267 127 HD11 LEU 566 HD11 LEU 566 -8.930 -20.268 12.297 128 HD12 LEU 566 HD12 LEU 566 -7.749 -19.148 12.965 129 HD13 LEU 566 HD13 LEU 566 -8.841 -20.020 14.042 130 HD21 LEU 566 HD21 LEU 566 -6.614 -20.886 15.272 131 HD22 LEU 566 HD22 LEU 566 -5.675 -19.993 14.068 132 HD23 LEU 566 HD23 LEU 566 -5.420 -21.725 14.276 133 H LYS 567 HN LYS 567 -8.360 -25.532 11.949 134 HA LYS 567 HA LYS 567 -9.606 -27.011 14.148 135 HB2 LYS 567 HB2 LYS 567 -9.926 -27.336 11.129 136 HB3 LYS 567 HB1 LYS 567 -10.886 -28.158 12.357 137 HG2 LYS 567 HG2 LYS 567 -10.851 -25.192 11.758 138 HG3 LYS 567 HG1 LYS 567 -12.155 -26.328 11.412 139 HD2 LYS 567 HD2 LYS 567 -12.388 -26.688 13.898 140 HD3 LYS 567 HD1 LYS 567 -11.189 -25.413 14.148 141 HE2 LYS 567 HE2 LYS 567 -13.930 -25.119 12.866 142 HE3 LYS 567 HE1 LYS 567 -13.407 -24.485 14.428 143 HZ1 LYS 567 HZ1 LYS 567 -11.822 -23.054 13.258 144 HZ2 LYS 567 HZ2 LYS 567 -13.409 -22.747 12.758 145 HZ3 LYS 567 HZ3 LYS 567 -12.370 -23.644 11.772 146 H THR 568 HN THR 568 -7.334 -27.577 11.492 147 HA THR 568 HA THR 568 -7.100 -30.396 11.777 148 HB THR 568 HB THR 568 -5.211 -28.413 10.421 149 HG1 THR 568 HG1 THR 568 -7.375 -29.971 9.395 150 HG21 THR 568 HG21 THR 568 -5.428 -31.428 10.039 151 HG22 THR 568 HG22 THR 568 -4.072 -30.578 10.786 152 HG23 THR 568 HG23 THR 568 -4.426 -30.342 9.072 153 H TYR 569 HN TYR 569 -5.282 -27.643 13.073 154 HA TYR 569 HA TYR 569 -3.458 -29.460 14.533 155 HB2 TYR 569 HB2 TYR 569 -3.059 -26.495 13.887 156 HB3 TYR 569 HB1 TYR 569 -1.872 -27.581 14.619 157 HD1 TYR 569 HD2 TYR 569 -1.727 -29.946 13.116 158 HD2 TYR 569 HD1 TYR 569 -2.561 -26.031 11.595 159 HE1 TYR 569 HE2 TYR 569 -1.017 -30.660 10.889 160 HE2 TYR 569 HE1 TYR 569 -1.856 -26.769 9.352 161 HH TYR 569 HH TYR 569 -0.257 -28.703 8.460 162 HA PRO 570 HA PRO 570 -6.014 -28.163 18.119 163 HB2 PRO 570 HB2 PRO 570 -4.793 -29.858 19.927 164 HB3 PRO 570 HB1 PRO 570 -6.079 -30.360 18.821 165 HG2 PRO 570 HG2 PRO 570 -3.094 -30.680 18.510 166 HG3 PRO 570 HG1 PRO 570 -4.380 -31.870 18.218 167 HD2 PRO 570 HD2 PRO 570 -3.239 -30.526 16.178 168 HD3 PRO 570 HD1 PRO 570 -4.975 -30.919 16.162 169 H VAL 571 HN VAL 571 -5.617 -26.881 19.969 170 HA VAL 571 HA VAL 571 -3.383 -25.143 19.747 171 HB VAL 571 HB VAL 571 -5.585 -24.347 20.540 172 HG11 VAL 571 HG11 VAL 571 -6.354 -24.730 22.867 173 HG12 VAL 571 HG12 VAL 571 -5.017 -25.851 23.130 174 HG13 VAL 571 HG13 VAL 571 -6.274 -26.237 21.954 175 HG21 VAL 571 HG21 VAL 571 -3.349 -23.814 22.547 176 HG22 VAL 571 HG22 VAL 571 -4.779 -22.803 22.313 177 HG23 VAL 571 HG23 VAL 571 -3.595 -22.967 21.016 178 H ASN 572 HN ASN 572 -3.949 -28.012 21.635 179 HA ASN 572 HA ASN 572 -1.994 -27.690 23.675 180 HB2 ASN 572 HB2 ASN 572 -3.126 -30.262 22.457 181 HB3 ASN 572 HB1 ASN 572 -2.158 -30.185 23.925 182 HD21 ASN 572 HD21 ASN 572 -5.292 -29.611 22.542 183 HD22 ASN 572 HD22 ASN 572 -6.112 -29.283 24.026 184 H THR 573 HN THR 573 -1.611 -28.282 20.299 185 HA THR 573 HA THR 573 0.977 -29.511 20.351 186 HB THR 573 HB THR 573 -0.306 -27.858 18.121 187 HG1 THR 573 HG1 THR 573 -1.182 -30.118 19.148 188 HG21 THR 573 HG21 THR 573 2.114 -28.330 17.758 189 HG22 THR 573 HG22 THR 573 1.097 -29.178 16.594 190 HG23 THR 573 HG23 THR 573 1.798 -30.056 17.953 191 HA PRO 574 HA PRO 574 3.240 -25.567 21.223 192 HB2 PRO 574 HB2 PRO 574 5.787 -26.584 21.008 193 HB3 PRO 574 HB1 PRO 574 4.791 -26.770 22.457 194 HG2 PRO 574 HG2 PRO 574 5.240 -28.736 20.208 195 HG3 PRO 574 HG1 PRO 574 5.251 -29.025 21.962 196 HD2 PRO 574 HD2 PRO 574 3.081 -29.619 20.447 197 HD3 PRO 574 HD1 PRO 574 2.917 -29.025 22.112 198 H GLU 575 HN GLU 575 3.539 -27.681 18.460 199 HA GLU 575 HA GLU 575 4.860 -25.712 16.733 200 HB2 GLU 575 HB2 GLU 575 3.801 -28.488 16.057 201 HB3 GLU 575 HB1 GLU 575 4.881 -27.504 15.071 202 HG2 GLU 575 HG2 GLU 575 6.640 -27.720 16.772 203 HG3 GLU 575 HG1 GLU 575 5.558 -28.676 17.783 204 H ARG 576 HN ARG 576 1.979 -25.552 17.864 205 HA ARG 576 HA ARG 576 0.018 -26.111 15.979 206 HB2 ARG 576 HB2 ARG 576 -0.263 -25.579 18.412 207 HB3 ARG 576 HB1 ARG 576 0.012 -23.884 18.058 208 HG2 ARG 576 HG2 ARG 576 -2.269 -25.327 16.699 209 HG3 ARG 576 HG1 ARG 576 -2.423 -24.857 18.388 210 HD2 ARG 576 HD2 ARG 576 -1.853 -22.481 17.663 211 HD3 ARG 576 HD1 ARG 576 -2.035 -23.031 15.993 212 HE ARG 576 HE ARG 576 -4.101 -22.452 17.877 213 HH11 ARG 576 HH11 ARG 576 -3.385 -24.353 15.014 214 HH12 ARG 576 HH12 ARG 576 -5.045 -24.698 14.677 215 HH21 ARG 576 HH21 ARG 576 -6.278 -22.853 17.404 216 HH22 ARG 576 HH22 ARG 576 -6.693 -23.828 16.035 217 H TRP 577 HN TRP 577 1.393 -22.857 16.671 218 HA TRP 577 HA TRP 577 0.199 -21.660 14.344 219 HB2 TRP 577 HB2 TRP 577 2.302 -20.585 16.267 220 HB3 TRP 577 HB1 TRP 577 1.478 -19.624 15.040 221 HD1 TRP 577 HD1 TRP 577 1.058 -20.864 18.582 222 HE1 TRP 577 HE1 TRP 577 -1.235 -20.151 19.491 223 HE3 TRP 577 HE3 TRP 577 -1.074 -19.196 14.225 224 HZ2 TRP 577 HZ2 TRP 577 -3.634 -19.052 18.508 225 HZ3 TRP 577 HZ3 TRP 577 -3.382 -18.332 14.301 226 HH2 TRP 577 HH2 TRP 577 -4.632 -18.262 16.403 227 H LYS 578 HN LYS 578 3.155 -23.312 14.963 228 HA LYS 578 HA LYS 578 4.810 -22.216 12.917 229 HB2 LYS 578 HB2 LYS 578 4.897 -24.907 14.353 230 HB3 LYS 578 HB1 LYS 578 6.091 -24.436 13.152 231 HG2 LYS 578 HG2 LYS 578 6.974 -24.100 15.385 232 HG3 LYS 578 HG1 LYS 578 6.790 -22.540 14.579 233 HD2 LYS 578 HD2 LYS 578 4.688 -22.150 15.855 234 HD3 LYS 578 HD1 LYS 578 4.882 -23.712 16.653 235 HE2 LYS 578 HE2 LYS 578 6.836 -21.395 16.880 236 HE3 LYS 578 HE1 LYS 578 5.598 -21.799 18.067 237 HZ1 LYS 578 HZ1 LYS 578 7.810 -23.609 17.261 238 HZ2 LYS 578 HZ2 LYS 578 6.656 -23.909 18.460 239 HZ3 LYS 578 HZ3 LYS 578 7.787 -22.670 18.664 240 H LYS 579 HN LYS 579 2.568 -24.952 13.041 241 HA LYS 579 HA LYS 579 2.981 -25.788 10.311 242 HB2 LYS 579 HB2 LYS 579 0.819 -26.501 12.347 243 HB3 LYS 579 HB1 LYS 579 1.044 -27.301 10.786 244 HG2 LYS 579 HG2 LYS 579 3.257 -28.090 11.446 245 HG3 LYS 579 HG1 LYS 579 3.148 -27.215 12.982 246 HD2 LYS 579 HD2 LYS 579 1.258 -28.655 13.669 247 HD3 LYS 579 HD1 LYS 579 1.323 -29.492 12.115 248 HE2 LYS 579 HE2 LYS 579 3.514 -29.506 14.229 249 HE3 LYS 579 HE1 LYS 579 2.407 -30.827 13.856 250 HZ1 LYS 579 HZ1 LYS 579 3.336 -30.879 11.602 251 HZ2 LYS 579 HZ2 LYS 579 4.494 -31.204 12.782 252 HZ3 LYS 579 HZ3 LYS 579 4.455 -29.690 12.037 253 H ILE 580 HN ILE 580 0.933 -23.479 11.932 254 HA ILE 580 HA ILE 580 -0.929 -23.068 9.781 255 HB ILE 580 HB ILE 580 -0.186 -21.305 12.159 256 HG12 ILE 580 HG12 ILE 580 -2.551 -23.156 11.664 257 HG13 ILE 580 HG11 ILE 580 -1.240 -23.440 12.793 258 HG21 ILE 580 HG21 ILE 580 -2.533 -20.912 10.264 259 HG22 ILE 580 HG22 ILE 580 -1.103 -19.879 10.360 260 HG23 ILE 580 HG23 ILE 580 -2.207 -19.984 11.731 261 HD11 ILE 580 HD11 ILE 580 -3.315 -21.262 12.997 262 HD12 ILE 580 HD12 ILE 580 -2.010 -21.561 14.148 263 HD13 ILE 580 HD13 ILE 580 -3.271 -22.767 13.914 264 H ALA 581 HN ALA 581 2.270 -21.738 10.586 265 HA ALA 581 HA ALA 581 2.502 -19.766 8.628 266 HB1 ALA 581 HB1 ALA 581 4.236 -20.166 10.339 267 HB2 ALA 581 HB2 ALA 581 4.926 -20.072 8.719 268 HB3 ALA 581 HB3 ALA 581 4.724 -21.645 9.504 269 H GLU 582 HN GLU 582 2.762 -23.265 8.268 270 HA GLU 582 HA GLU 582 3.671 -23.240 5.538 271 HB2 GLU 582 HB2 GLU 582 2.260 -25.468 7.056 272 HB3 GLU 582 HB1 GLU 582 3.221 -25.659 5.590 273 HG2 GLU 582 HG2 GLU 582 5.243 -25.021 6.844 274 HG3 GLU 582 HG1 GLU 582 4.279 -24.799 8.306 275 H ALA 583 HN ALA 583 0.549 -23.700 7.153 276 HA ALA 583 HA ALA 583 -1.003 -24.226 4.825 277 HB1 ALA 583 HB1 ALA 583 -2.940 -23.980 6.318 278 HB2 ALA 583 HB2 ALA 583 -1.910 -23.294 7.581 279 HB3 ALA 583 HB3 ALA 583 -1.687 -24.969 7.067 280 H VAL 584 HN VAL 584 -0.143 -21.253 6.532 281 HA VAL 584 HA VAL 584 -1.779 -19.610 4.673 282 HB VAL 584 HB VAL 584 -1.040 -18.766 7.522 283 HG11 VAL 584 HG11 VAL 584 -3.115 -17.666 5.577 284 HG12 VAL 584 HG12 VAL 584 -1.561 -16.920 5.967 285 HG13 VAL 584 HG13 VAL 584 -2.806 -17.064 7.209 286 HG21 VAL 584 HG21 VAL 584 -3.335 -19.310 8.228 287 HG22 VAL 584 HG22 VAL 584 -2.457 -20.752 7.709 288 HG23 VAL 584 HG23 VAL 584 -3.658 -20.022 6.640 289 HA PRO 585 HA PRO 585 2.559 -18.033 4.123 290 HB2 PRO 585 HB2 PRO 585 2.670 -18.065 1.424 291 HB3 PRO 585 HB1 PRO 585 2.892 -19.546 2.365 292 HG2 PRO 585 HG2 PRO 585 0.467 -18.600 0.867 293 HG3 PRO 585 HG1 PRO 585 1.118 -20.244 1.007 294 HD2 PRO 585 HD2 PRO 585 -1.014 -19.220 2.527 295 HD3 PRO 585 HD1 PRO 585 -0.049 -20.651 2.950 296 H GLY 586 HN GLY 586 3.178 -15.925 3.599 297 HA2 GLY 586 HA2 GLY 586 2.971 -13.753 2.725 298 HA3 GLY 586 HA1 GLY 586 1.284 -14.060 2.349 299 H ARG 587 HN ARG 587 0.901 -15.135 5.132 300 HA ARG 587 HA ARG 587 0.570 -12.552 6.548 301 HB2 ARG 587 HB2 ARG 587 -0.911 -15.171 7.094 302 HB3 ARG 587 HB1 ARG 587 -1.297 -13.565 7.715 303 HG2 ARG 587 HG2 ARG 587 -1.503 -14.450 4.828 304 HG3 ARG 587 HG1 ARG 587 -2.851 -14.280 5.953 305 HD2 ARG 587 HD2 ARG 587 -2.617 -11.908 6.027 306 HD3 ARG 587 HD1 ARG 587 -1.041 -11.955 5.229 307 HE ARG 587 HE ARG 587 -2.410 -12.946 3.287 308 HH11 ARG 587 HH11 ARG 587 -3.733 -10.578 5.467 309 HH12 ARG 587 HH12 ARG 587 -4.604 -9.737 4.237 310 HH21 ARG 587 HH21 ARG 587 -3.577 -11.876 1.666 311 HH22 ARG 587 HH22 ARG 587 -4.543 -10.491 2.063 312 H THR 588 HN THR 588 1.435 -12.328 8.615 313 HA THR 588 HA THR 588 3.265 -14.381 9.582 314 HB THR 588 HB THR 588 2.617 -11.656 10.840 315 HG1 THR 588 HG1 THR 588 3.838 -12.183 8.452 316 HG21 THR 588 HG21 THR 588 4.891 -11.765 11.709 317 HG22 THR 588 HG22 THR 588 5.152 -13.318 10.915 318 HG23 THR 588 HG23 THR 588 3.982 -13.185 12.232 319 H LYS 589 HN LYS 589 3.143 -15.178 11.801 320 HA LYS 589 HA LYS 589 0.509 -16.144 12.310 321 HB2 LYS 589 HB2 LYS 589 3.215 -16.648 13.475 322 HB3 LYS 589 HB1 LYS 589 1.817 -17.133 14.422 323 HG2 LYS 589 HG2 LYS 589 2.798 -18.942 13.006 324 HG3 LYS 589 HG1 LYS 589 1.077 -18.673 12.746 325 HD2 LYS 589 HD2 LYS 589 2.973 -17.229 10.908 326 HD3 LYS 589 HD1 LYS 589 2.871 -18.974 10.729 327 HE2 LYS 589 HE2 LYS 589 0.424 -18.807 10.339 328 HE3 LYS 589 HE1 LYS 589 0.515 -17.062 10.564 329 HZ1 LYS 589 HZ1 LYS 589 1.945 -16.929 8.641 330 HZ2 LYS 589 HZ2 LYS 589 0.463 -17.637 8.248 331 HZ3 LYS 589 HZ3 LYS 589 1.842 -18.594 8.412 332 H LYS 590 HN LYS 590 2.382 -13.526 13.714 333 HA LYS 590 HA LYS 590 0.959 -13.070 16.078 334 HB2 LYS 590 HB2 LYS 590 1.619 -10.681 15.856 335 HB3 LYS 590 HB1 LYS 590 2.969 -11.767 15.555 336 HG2 LYS 590 HG2 LYS 590 2.781 -11.391 13.143 337 HG3 LYS 590 HG1 LYS 590 1.354 -10.377 13.383 338 HD2 LYS 590 HD2 LYS 590 2.710 -8.738 14.630 339 HD3 LYS 590 HD1 LYS 590 4.141 -9.761 14.457 340 HE2 LYS 590 HE2 LYS 590 4.191 -7.933 12.815 341 HE3 LYS 590 HE1 LYS 590 4.034 -9.486 11.994 342 HZ1 LYS 590 HZ1 LYS 590 1.611 -9.042 11.858 343 HZ2 LYS 590 HZ2 LYS 590 2.552 -7.954 10.984 344 HZ3 LYS 590 HZ3 LYS 590 1.885 -7.489 12.463 345 H ASP 591 HN ASP 591 0.218 -12.184 12.722 346 HA ASP 591 HA ASP 591 -2.181 -10.696 13.272 347 HB2 ASP 591 HB2 ASP 591 -1.273 -11.921 10.635 348 HB3 ASP 591 HB1 ASP 591 -2.462 -10.632 10.835 349 H CYS 592 HN CYS 592 -1.374 -14.004 12.448 350 HA CYS 592 HA CYS 592 -4.002 -14.997 11.962 351 HB2 CYS 592 HB2 CYS 592 -1.479 -16.459 12.857 352 HB3 CYS 592 HB1 CYS 592 -2.928 -17.234 12.210 353 HG CYS 592 HG CYS 592 -1.622 -14.846 10.256 354 H MET 593 HN MET 593 -2.068 -14.542 14.888 355 HA MET 593 HA MET 593 -3.738 -16.010 16.721 356 HB2 MET 593 HB2 MET 593 -1.701 -13.784 17.205 357 HB3 MET 593 HB1 MET 593 -2.470 -14.707 18.488 358 HG2 MET 593 HG2 MET 593 -1.338 -16.702 17.863 359 HG3 MET 593 HG1 MET 593 -0.836 -16.017 16.319 360 HE1 MET 593 HE1 MET 593 1.677 -16.403 16.366 361 HE2 MET 593 HE2 MET 593 1.415 -17.440 17.771 362 HE3 MET 593 HE3 MET 593 2.690 -16.221 17.799 363 H LYS 594 HN LYS 594 -3.426 -12.627 15.767 364 HA LYS 594 HA LYS 594 -5.406 -11.479 17.404 365 HB2 LYS 594 HB2 LYS 594 -4.515 -10.596 14.632 366 HB3 LYS 594 HB1 LYS 594 -5.439 -9.617 15.763 367 HG2 LYS 594 HG2 LYS 594 -2.572 -10.544 16.130 368 HG3 LYS 594 HG1 LYS 594 -3.096 -8.932 15.678 369 HD2 LYS 594 HD2 LYS 594 -2.690 -8.608 17.937 370 HD3 LYS 594 HD1 LYS 594 -4.400 -9.031 18.002 371 HE2 LYS 594 HE2 LYS 594 -3.818 -11.343 18.649 372 HE3 LYS 594 HE1 LYS 594 -2.100 -10.978 18.488 373 HZ1 LYS 594 HZ1 LYS 594 -2.243 -9.466 20.289 374 HZ2 LYS 594 HZ2 LYS 594 -2.921 -10.933 20.779 375 HZ3 LYS 594 HZ3 LYS 594 -3.921 -9.628 20.388 376 H ARG 595 HN ARG 595 -5.547 -12.863 14.163 377 HA ARG 595 HA ARG 595 -8.242 -12.185 13.612 378 HB2 ARG 595 HB2 ARG 595 -6.061 -13.316 12.142 379 HB3 ARG 595 HB1 ARG 595 -7.363 -14.483 12.027 380 HG2 ARG 595 HG2 ARG 595 -7.457 -11.572 11.179 381 HG3 ARG 595 HG1 ARG 595 -7.442 -12.986 10.123 382 HD2 ARG 595 HD2 ARG 595 -9.650 -13.656 11.096 383 HD3 ARG 595 HD1 ARG 595 -9.655 -12.155 12.031 384 HE ARG 595 HE ARG 595 -9.801 -12.359 9.076 385 HH11 ARG 595 HH11 ARG 595 -10.292 -10.414 11.998 386 HH12 ARG 595 HH12 ARG 595 -11.261 -9.241 11.167 387 HH21 ARG 595 HH21 ARG 595 -11.075 -10.793 8.037 388 HH22 ARG 595 HH22 ARG 595 -11.694 -9.447 8.942 389 H TYR 596 HN TYR 596 -6.672 -15.163 14.812 390 HA TYR 596 HA TYR 596 -8.984 -16.806 14.902 391 HB2 TYR 596 HB2 TYR 596 -6.787 -17.818 15.021 392 HB3 TYR 596 HB1 TYR 596 -6.384 -16.918 16.476 393 HD1 TYR 596 HD2 TYR 596 -9.431 -18.979 15.615 394 HD2 TYR 596 HD1 TYR 596 -6.036 -18.517 18.165 395 HE1 TYR 596 HE2 TYR 596 -10.193 -20.890 16.956 396 HE2 TYR 596 HE1 TYR 596 -6.781 -20.431 19.512 397 HH TYR 596 HH TYR 596 -8.847 -21.646 20.027 398 H LYS 597 HN LYS 597 -7.563 -14.554 17.248 399 HA LYS 597 HA LYS 597 -9.240 -15.103 19.454 400 HB2 LYS 597 HB2 LYS 597 -7.140 -13.664 19.498 401 HB3 LYS 597 HB1 LYS 597 -8.074 -12.381 18.735 402 HG2 LYS 597 HG2 LYS 597 -9.629 -12.437 20.738 403 HG3 LYS 597 HG1 LYS 597 -8.509 -13.576 21.496 404 HD2 LYS 597 HD2 LYS 597 -6.697 -11.813 21.229 405 HD3 LYS 597 HD1 LYS 597 -7.960 -10.696 20.691 406 HE2 LYS 597 HE2 LYS 597 -7.825 -12.061 23.407 407 HE3 LYS 597 HE1 LYS 597 -7.435 -10.374 23.074 408 HZ1 LYS 597 HZ1 LYS 597 -9.650 -10.570 23.985 409 HZ2 LYS 597 HZ2 LYS 597 -10.102 -11.645 22.764 410 HZ3 LYS 597 HZ3 LYS 597 -9.747 -10.039 22.382 411 H GLU 598 HN GLU 598 -9.571 -12.842 16.709 412 HA GLU 598 HA GLU 598 -12.052 -11.692 17.427 413 HB2 GLU 598 HB2 GLU 598 -10.844 -12.146 14.661 414 HB3 GLU 598 HB1 GLU 598 -12.230 -11.105 14.983 415 HG2 GLU 598 HG2 GLU 598 -10.843 -9.627 16.341 416 HG3 GLU 598 HG1 GLU 598 -9.455 -10.691 16.125 417 H LEU 599 HN LEU 599 -11.244 -14.615 15.504 418 HA LEU 599 HA LEU 599 -13.798 -15.189 14.452 419 HB2 LEU 599 HB2 LEU 599 -11.510 -17.109 15.055 420 HB3 LEU 599 HB1 LEU 599 -12.934 -17.533 14.113 421 HG LEU 599 HG LEU 599 -10.866 -15.444 13.324 422 HD11 LEU 599 HD11 LEU 599 -9.955 -17.691 13.183 423 HD12 LEU 599 HD12 LEU 599 -10.181 -17.007 11.575 424 HD13 LEU 599 HD13 LEU 599 -11.319 -18.215 12.190 425 HD21 LEU 599 HD21 LEU 599 -13.066 -14.831 12.478 426 HD22 LEU 599 HD22 LEU 599 -13.274 -16.433 11.768 427 HD23 LEU 599 HD23 LEU 599 -12.021 -15.348 11.155 428 H VAL 600 HN VAL 600 -12.210 -16.402 17.427 429 HA VAL 600 HA VAL 600 -14.361 -18.126 18.171 430 HB VAL 600 HB VAL 600 -12.107 -18.587 19.010 431 HG11 VAL 600 HG11 VAL 600 -11.228 -16.308 19.321 432 HG12 VAL 600 HG12 VAL 600 -11.027 -17.257 20.798 433 HG13 VAL 600 HG13 VAL 600 -12.319 -16.056 20.686 434 HG21 VAL 600 HG21 VAL 600 -12.658 -19.096 21.374 435 HG22 VAL 600 HG22 VAL 600 -14.009 -19.465 20.299 436 HG23 VAL 600 HG23 VAL 600 -14.044 -17.999 21.279 437 H GLU 601 HN GLU 601 -13.491 -14.777 19.117 438 HA GLU 601 HA GLU 601 -15.479 -14.500 21.137 439 HB2 GLU 601 HB2 GLU 601 -14.007 -12.387 19.504 440 HB3 GLU 601 HB1 GLU 601 -15.054 -12.021 20.875 441 HG2 GLU 601 HG2 GLU 601 -12.450 -13.565 20.920 442 HG3 GLU 601 HG1 GLU 601 -12.756 -11.977 21.609 443 H MET 602 HN MET 602 -15.561 -14.008 17.641 444 HA MET 602 HA MET 602 -18.054 -12.589 17.587 445 HB2 MET 602 HB2 MET 602 -16.450 -13.990 15.419 446 HB3 MET 602 HB1 MET 602 -17.995 -13.215 15.090 447 HG2 MET 602 HG2 MET 602 -17.044 -11.053 15.896 448 HG3 MET 602 HG1 MET 602 -15.488 -11.845 16.117 449 HE1 MET 602 HE1 MET 602 -13.919 -12.647 14.065 450 HE2 MET 602 HE2 MET 602 -14.472 -12.652 12.392 451 HE3 MET 602 HE3 MET 602 -15.222 -13.727 13.570 452 H VAL 603 HN VAL 603 -17.162 -16.041 17.062 453 HA VAL 603 HA VAL 603 -19.848 -16.867 16.500 454 HB VAL 603 HB VAL 603 -19.075 -19.179 16.669 455 HG11 VAL 603 HG11 VAL 603 -17.325 -19.161 14.918 456 HG12 VAL 603 HG12 VAL 603 -17.048 -17.441 15.209 457 HG13 VAL 603 HG13 VAL 603 -18.601 -17.990 14.573 458 HG21 VAL 603 HG21 VAL 603 -16.438 -18.091 17.737 459 HG22 VAL 603 HG22 VAL 603 -16.751 -19.774 17.307 460 HG23 VAL 603 HG23 VAL 603 -17.620 -19.032 18.651 461 H LYS 604 HN LYS 604 -18.002 -16.490 19.469 462 HA LYS 604 HA LYS 604 -19.737 -17.778 21.307 463 HB2 LYS 604 HB2 LYS 604 -17.831 -15.423 21.579 464 HB3 LYS 604 HB1 LYS 604 -18.770 -15.997 22.950 465 HG2 LYS 604 HG2 LYS 604 -17.646 -18.125 22.937 466 HG3 LYS 604 HG1 LYS 604 -16.860 -17.759 21.397 467 HD2 LYS 604 HD2 LYS 604 -15.323 -17.515 23.342 468 HD3 LYS 604 HD1 LYS 604 -15.515 -16.014 22.432 469 HE2 LYS 604 HE2 LYS 604 -17.156 -15.231 24.151 470 HE3 LYS 604 HE1 LYS 604 -16.862 -16.702 25.078 471 HZ1 LYS 604 HZ1 LYS 604 -15.589 -14.849 25.905 472 HZ2 LYS 604 HZ2 LYS 604 -14.846 -14.639 24.400 473 HZ3 LYS 604 HZ3 LYS 604 -14.559 -16.041 25.293 474 H ALA 605 HN ALA 605 -19.615 -14.424 20.079 475 HA ALA 605 HA ALA 605 -21.792 -13.458 21.664 476 HB1 ALA 605 HB1 ALA 605 -21.579 -11.403 20.314 477 HB2 ALA 605 HB2 ALA 605 -20.511 -12.245 19.183 478 HB3 ALA 605 HB3 ALA 605 -20.000 -11.980 20.851 479 H LYS 606 HN LYS 606 -21.585 -14.889 18.440 480 HA LYS 606 HA LYS 606 -24.224 -14.237 17.542 481 HB2 LYS 606 HB2 LYS 606 -22.304 -16.458 16.719 482 HB3 LYS 606 HB1 LYS 606 -23.838 -16.150 15.910 483 HG2 LYS 606 HG2 LYS 606 -23.062 -13.912 15.247 484 HG3 LYS 606 HG1 LYS 606 -21.540 -14.177 16.102 485 HD2 LYS 606 HD2 LYS 606 -21.215 -14.531 13.707 486 HD3 LYS 606 HD1 LYS 606 -21.020 -16.063 14.563 487 HE2 LYS 606 HE2 LYS 606 -22.305 -16.368 12.484 488 HE3 LYS 606 HE1 LYS 606 -23.312 -16.724 13.886 489 HZ1 LYS 606 HZ1 LYS 606 -24.497 -15.414 12.259 490 HZ2 LYS 606 HZ2 LYS 606 -23.329 -14.200 12.322 491 HZ3 LYS 606 HZ3 LYS 606 -24.293 -14.517 13.672 492 H LYS 607 HN LYS 607 -22.817 -17.214 18.933 493 HA LYS 607 HA LYS 607 -25.154 -18.758 19.129 494 HB2 LYS 607 HB2 LYS 607 -22.967 -19.799 19.345 495 HB3 LYS 607 HB1 LYS 607 -22.584 -18.827 20.763 496 HG2 LYS 607 HG2 LYS 607 -24.351 -20.018 22.044 497 HG3 LYS 607 HG1 LYS 607 -24.708 -20.992 20.614 498 HD2 LYS 607 HD2 LYS 607 -22.478 -21.997 20.691 499 HD3 LYS 607 HD1 LYS 607 -22.015 -20.935 22.028 500 HE2 LYS 607 HE2 LYS 607 -22.561 -23.196 22.843 501 HE3 LYS 607 HE1 LYS 607 -23.707 -22.015 23.479 502 HZ1 LYS 607 HZ1 LYS 607 -24.712 -24.111 22.664 503 HZ2 LYS 607 HZ2 LYS 607 -24.243 -23.693 21.095 504 HZ3 LYS 607 HZ3 LYS 607 -25.334 -22.721 21.939 505 H ALA 608 HN ALA 608 -23.609 -16.618 21.496 506 HA ALA 608 HA ALA 608 -25.198 -17.199 23.740 507 HB1 ALA 608 HB1 ALA 608 -23.009 -16.064 23.852 508 HB2 ALA 608 HB2 ALA 608 -24.255 -15.139 24.695 509 HB3 ALA 608 HB3 ALA 608 -23.702 -14.635 23.092 510 H ALA 609 HN ALA 609 -25.409 -14.490 21.411 511 HA ALA 609 HA ALA 609 -27.517 -13.073 22.591 512 HB1 ALA 609 HB1 ALA 609 -27.732 -11.925 20.420 513 HB2 ALA 609 HB2 ALA 609 -26.757 -13.183 19.644 514 HB3 ALA 609 HB3 ALA 609 -26.041 -12.133 20.869 515 H GLN 610 HN GLN 610 -27.606 -15.523 19.999 516 HA GLN 610 HA GLN 610 -30.455 -15.345 19.633 517 HB2 GLN 610 HB2 GLN 610 -28.274 -17.060 18.453 518 HB3 GLN 610 HB1 GLN 610 -29.949 -17.527 18.195 519 HG2 GLN 610 HG2 GLN 610 -29.046 -16.217 16.312 520 HG3 GLN 610 HG1 GLN 610 -30.419 -15.414 17.065 521 HE21 GLN 610 HE21 GLN 610 -30.076 -13.450 18.154 522 HE22 GLN 610 HE22 GLN 610 -28.619 -12.532 17.993 523 H GLU 611 HN GLU 611 -28.332 -17.624 21.330 524 HA GLU 611 HA GLU 611 -30.337 -19.641 21.711 525 HB2 GLU 611 HB2 GLU 611 -27.930 -20.184 21.613 526 HB3 GLU 611 HB1 GLU 611 -27.639 -19.279 23.094 527 HG2 GLU 611 HG2 GLU 611 -29.028 -20.896 24.347 528 HG3 GLU 611 HG1 GLU 611 -29.325 -21.794 22.859 529 H GLN 612 HN GLN 612 -29.137 -16.932 23.719 530 HA GLN 612 HA GLN 612 -30.315 -17.780 26.181 531 HB2 GLN 612 HB2 GLN 612 -29.814 -15.568 27.051 532 HB3 GLN 612 HB1 GLN 612 -28.474 -16.091 26.043 533 HG2 GLN 612 HG2 GLN 612 -29.378 -14.666 24.190 534 HG3 GLN 612 HG1 GLN 612 -30.608 -14.064 25.296 535 HE21 GLN 612 HE21 GLN 612 -29.917 -12.745 27.074 536 HE22 GLN 612 HE22 GLN 612 -28.414 -11.901 27.005 537 H VAL 613 HN VAL 613 -31.510 -15.802 23.506 538 HA VAL 613 HA VAL 613 -34.005 -15.078 24.795 539 HB VAL 613 HB VAL 613 -33.159 -14.786 21.874 540 HG11 VAL 613 HG11 VAL 613 -35.617 -14.693 22.095 541 HG12 VAL 613 HG12 VAL 613 -34.977 -13.097 21.701 542 HG13 VAL 613 HG13 VAL 613 -35.474 -13.460 23.354 543 HG21 VAL 613 HG21 VAL 613 -32.658 -12.424 22.422 544 HG22 VAL 613 HG22 VAL 613 -31.646 -13.528 23.357 545 HG23 VAL 613 HG23 VAL 613 -33.028 -12.735 24.121 546 H LEU 614 HN LEU 614 -32.836 -17.513 22.514 547 HA LEU 614 HA LEU 614 -35.340 -18.553 21.662 548 HB2 LEU 614 HB2 LEU 614 -33.230 -18.977 20.436 549 HB3 LEU 614 HB1 LEU 614 -32.612 -19.903 21.792 550 HG LEU 614 HG LEU 614 -34.335 -21.646 21.413 551 HD11 LEU 614 HD11 LEU 614 -35.762 -21.626 19.428 552 HD12 LEU 614 HD12 LEU 614 -35.221 -19.990 19.037 553 HD13 LEU 614 HD13 LEU 614 -36.136 -20.291 20.518 554 HD21 LEU 614 HD21 LEU 614 -32.739 -21.001 18.910 555 HD22 LEU 614 HD22 LEU 614 -33.440 -22.571 19.319 556 HD23 LEU 614 HD23 LEU 614 -32.163 -21.890 20.321 557 H ASN 615 HN ASN 615 -33.201 -19.294 24.400 558 HA ASN 615 HA ASN 615 -34.444 -21.622 25.387 559 HB2 ASN 615 HB2 ASN 615 -32.263 -20.970 26.208 560 HB3 ASN 615 HB1 ASN 615 -32.877 -19.429 26.793 561 HD21 ASN 615 HD21 ASN 615 -32.857 -22.904 27.374 562 HD22 ASN 615 HD22 ASN 615 -33.340 -22.822 29.031 563 H ALA 616 HN ALA 616 -35.152 -18.206 25.969 564 HA ALA 616 HA ALA 616 -37.224 -18.460 27.870 565 HB1 ALA 616 HB1 ALA 616 -36.819 -16.306 25.759 566 HB2 ALA 616 HB2 ALA 616 -36.125 -16.305 27.382 567 HB3 ALA 616 HB3 ALA 616 -37.872 -16.175 27.174 568 H SER 617 HN SER 617 -37.229 -18.474 24.322 569 HA SER 617 HA SER 617 -40.073 -18.724 23.985 570 HB2 SER 617 HB2 SER 617 -37.795 -19.225 22.017 571 HB3 SER 617 HB1 SER 617 -39.498 -18.991 21.588 572 HG SER 617 HG SER 617 -38.619 -16.970 23.168 573 H ARG 618 HN ARG 618 -37.490 -20.978 24.565 574 HA ARG 618 HA ARG 618 -38.880 -23.371 23.729 575 HB2 ARG 618 HB2 ARG 618 -36.430 -22.993 25.505 576 HB3 ARG 618 HB1 ARG 618 -37.053 -24.561 25.003 577 HG2 ARG 618 HG2 ARG 618 -36.025 -22.432 23.104 578 HG3 ARG 618 HG1 ARG 618 -35.085 -23.796 23.700 579 HD2 ARG 618 HD2 ARG 618 -36.611 -25.363 22.616 580 HD3 ARG 618 HD1 ARG 618 -37.631 -24.028 22.071 581 HE ARG 618 HE ARG 618 -36.047 -23.467 20.462 582 HH11 ARG 618 HH11 ARG 618 -34.768 -26.124 22.445 583 HH12 ARG 618 HH12 ARG 618 -33.555 -26.551 21.281 584 HH21 ARG 618 HH21 ARG 618 -34.447 -24.071 18.954 585 HH22 ARG 618 HH22 ARG 618 -33.374 -25.387 19.311 586 H ALA 619 HN ALA 619 -38.742 -21.389 26.555 587 HA ALA 619 HA ALA 619 -39.629 -21.386 28.632 588 HB1 ALA 619 HB1 ALA 619 -41.790 -22.528 28.972 589 HB2 ALA 619 HB2 ALA 619 -41.553 -23.439 27.479 590 HB3 ALA 619 HB3 ALA 619 -41.761 -21.687 27.419 591 H LYS 620 HN LYS 620 -37.401 -23.051 28.036 592 HA LYS 620 HA LYS 620 -37.701 -25.536 29.578 593 HB2 LYS 620 HB2 LYS 620 -36.509 -25.427 27.298 594 HB3 LYS 620 HB1 LYS 620 -35.223 -24.530 28.093 595 HG2 LYS 620 HG2 LYS 620 -34.603 -26.874 27.834 596 HG3 LYS 620 HG1 LYS 620 -34.759 -26.488 29.552 597 HD2 LYS 620 HD2 LYS 620 -37.024 -27.540 29.548 598 HD3 LYS 620 HD1 LYS 620 -36.828 -27.933 27.838 599 HE2 LYS 620 HE2 LYS 620 -34.887 -29.375 28.408 600 HE3 LYS 620 HE1 LYS 620 -35.116 -29.004 30.120 601 HZ1 LYS 620 HZ1 LYS 620 -36.093 -31.099 29.587 602 HZ2 LYS 620 HZ2 LYS 620 -37.010 -30.436 28.337 603 HZ3 LYS 620 HZ3 LYS 620 -37.341 -30.019 29.942 604 H LYS 621 HN LYS 621 -37.477 -22.574 30.580 605 HA LYS 621 HA LYS 621 -35.765 -23.106 32.871 606 HB2 LYS 621 HB2 LYS 621 -34.243 -22.076 31.207 607 HB3 LYS 621 HB1 LYS 621 -35.325 -20.700 31.046 608 HG2 LYS 621 HG2 LYS 621 -34.884 -20.048 33.370 609 HG3 LYS 621 HG1 LYS 621 -33.871 -21.477 33.599 610 HD2 LYS 621 HD2 LYS 621 -33.298 -19.205 31.647 611 HD3 LYS 621 HD1 LYS 621 -32.525 -19.419 33.221 612 HE2 LYS 621 HE2 LYS 621 -31.589 -21.594 32.435 613 HE3 LYS 621 HE1 LYS 621 -32.338 -21.330 30.861 614 HZ1 LYS 621 HZ1 LYS 621 -29.988 -20.743 30.921 615 HZ2 LYS 621 HZ2 LYS 621 -30.307 -19.560 32.086 616 HZ3 LYS 621 HZ3 LYS 621 -30.966 -19.419 30.538 Start of MODEL 8 1 H PHE 551 HN PHE 551 -1.789 -2.914 0.086 2 HA PHE 551 HA PHE 551 -0.086 -5.238 0.745 3 HB2 PHE 551 HB2 PHE 551 -0.019 -3.357 2.349 4 HB3 PHE 551 HB1 PHE 551 -1.768 -3.420 2.540 5 HD1 PHE 551 HD2 PHE 551 1.267 -5.631 2.911 6 HD2 PHE 551 HD1 PHE 551 -2.621 -4.633 4.383 7 HE1 PHE 551 HE2 PHE 551 1.553 -7.222 4.764 8 HE2 PHE 551 HE1 PHE 551 -2.330 -6.229 6.228 9 HZ PHE 551 HZ PHE 551 -0.242 -7.525 6.424 10 H THR 552 HN THR 552 -0.984 -7.215 0.749 11 HA THR 552 HA THR 552 -3.789 -7.615 0.203 12 HB THR 552 HB THR 552 -3.142 -10.079 0.240 13 HG1 THR 552 HG1 THR 552 -1.292 -9.720 1.692 14 HG21 THR 552 HG21 THR 552 -3.116 -8.805 -1.876 15 HG22 THR 552 HG22 THR 552 -1.823 -10.003 -1.842 16 HG23 THR 552 HG23 THR 552 -1.451 -8.302 -1.558 17 HA PRO 553 HA PRO 553 -4.662 -8.102 4.700 18 HB2 PRO 553 HB2 PRO 553 -7.324 -7.901 4.597 19 HB3 PRO 553 HB1 PRO 553 -6.325 -6.497 4.172 20 HG2 PRO 553 HG2 PRO 553 -7.624 -8.516 2.320 21 HG3 PRO 553 HG1 PRO 553 -7.702 -6.741 2.248 22 HD2 PRO 553 HD2 PRO 553 -5.925 -8.219 0.763 23 HD3 PRO 553 HD1 PRO 553 -5.575 -6.561 1.306 24 H TRP 554 HN TRP 554 -6.836 -9.517 5.633 25 HA TRP 554 HA TRP 554 -6.397 -12.265 4.990 26 HB2 TRP 554 HB2 TRP 554 -8.449 -10.810 6.695 27 HB3 TRP 554 HB1 TRP 554 -8.579 -12.547 6.409 28 HD1 TRP 554 HD1 TRP 554 -6.714 -10.056 8.557 29 HE1 TRP 554 HE1 TRP 554 -5.045 -11.309 10.063 30 HE3 TRP 554 HE3 TRP 554 -6.968 -14.674 6.387 31 HZ2 TRP 554 HZ2 TRP 554 -3.953 -13.883 10.264 32 HZ3 TRP 554 HZ3 TRP 554 -5.564 -16.477 7.292 33 HH2 TRP 554 HH2 TRP 554 -4.091 -16.092 9.198 34 H THR 555 HN THR 555 -6.635 -12.319 2.757 35 HA THR 555 HA THR 555 -9.149 -11.832 1.438 36 HB THR 555 HB THR 555 -8.033 -12.947 -0.519 37 HG1 THR 555 HG1 THR 555 -6.136 -13.937 -0.313 38 HG21 THR 555 HG21 THR 555 -6.270 -11.264 -0.885 39 HG22 THR 555 HG22 THR 555 -6.300 -10.832 0.826 40 HG23 THR 555 HG23 THR 555 -7.710 -10.518 -0.193 41 H THR 556 HN THR 556 -10.172 -13.721 0.181 42 HA THR 556 HA THR 556 -11.393 -15.454 1.971 43 HB THR 556 HB THR 556 -11.151 -15.757 -1.053 44 HG1 THR 556 HG1 THR 556 -13.310 -14.590 0.388 45 HG21 THR 556 HG21 THR 556 -12.018 -17.843 -0.069 46 HG22 THR 556 HG22 THR 556 -13.305 -16.986 -0.919 47 HG23 THR 556 HG23 THR 556 -13.226 -16.933 0.842 48 H GLU 557 HN GLU 557 -8.679 -16.114 -0.259 49 HA GLU 557 HA GLU 557 -8.431 -18.883 0.219 50 HB2 GLU 557 HB2 GLU 557 -6.155 -18.680 -0.779 51 HB3 GLU 557 HB1 GLU 557 -7.402 -17.893 -1.737 52 HG2 GLU 557 HG2 GLU 557 -6.678 -15.700 -0.686 53 HG3 GLU 557 HG1 GLU 557 -5.308 -16.562 0.004 54 H GLU 558 HN GLU 558 -6.551 -16.175 1.665 55 HA GLU 558 HA GLU 558 -4.939 -17.707 3.391 56 HB2 GLU 558 HB2 GLU 558 -5.850 -14.797 3.581 57 HB3 GLU 558 HB1 GLU 558 -4.619 -15.500 4.636 58 HG2 GLU 558 HG2 GLU 558 -4.409 -15.383 1.608 59 HG3 GLU 558 HG1 GLU 558 -3.743 -14.169 2.694 60 H GLN 559 HN GLN 559 -8.151 -16.369 3.780 61 HA GLN 559 HA GLN 559 -8.290 -16.553 6.620 62 HB2 GLN 559 HB2 GLN 559 -9.643 -14.943 5.276 63 HB3 GLN 559 HB1 GLN 559 -10.565 -16.279 4.609 64 HG2 GLN 559 HG2 GLN 559 -11.786 -15.129 6.397 65 HG3 GLN 559 HG1 GLN 559 -11.458 -16.811 6.830 66 HE21 GLN 559 HE21 GLN 559 -10.030 -17.254 8.533 67 HE22 GLN 559 HE22 GLN 559 -9.479 -16.033 9.626 68 H LYS 560 HN LYS 560 -9.669 -18.556 3.970 69 HA LYS 560 HA LYS 560 -10.884 -20.458 5.737 70 HB2 LYS 560 HB2 LYS 560 -11.399 -21.783 3.772 71 HB3 LYS 560 HB1 LYS 560 -11.705 -20.087 3.420 72 HG2 LYS 560 HG2 LYS 560 -9.559 -19.971 2.180 73 HG3 LYS 560 HG1 LYS 560 -9.296 -21.692 2.498 74 HD2 LYS 560 HD2 LYS 560 -11.651 -20.527 0.938 75 HD3 LYS 560 HD1 LYS 560 -10.218 -21.258 0.213 76 HE2 LYS 560 HE2 LYS 560 -12.217 -22.695 2.003 77 HE3 LYS 560 HE1 LYS 560 -12.126 -22.824 0.246 78 HZ1 LYS 560 HZ1 LYS 560 -11.024 -24.685 1.210 79 HZ2 LYS 560 HZ2 LYS 560 -10.080 -23.701 2.209 80 HZ3 LYS 560 HZ3 LYS 560 -9.838 -23.683 0.536 81 H LEU 561 HN LEU 561 -7.714 -20.172 4.265 82 HA LEU 561 HA LEU 561 -6.667 -22.738 4.879 83 HB2 LEU 561 HB2 LEU 561 -5.283 -20.035 4.662 84 HB3 LEU 561 HB1 LEU 561 -4.414 -21.549 4.856 85 HG LEU 561 HG LEU 561 -6.180 -20.861 2.470 86 HD11 LEU 561 HD11 LEU 561 -4.107 -20.630 1.187 87 HD12 LEU 561 HD12 LEU 561 -3.155 -20.877 2.654 88 HD13 LEU 561 HD13 LEU 561 -4.186 -19.452 2.498 89 HD21 LEU 561 HD21 LEU 561 -5.234 -22.851 1.412 90 HD22 LEU 561 HD22 LEU 561 -6.107 -23.270 2.883 91 HD23 LEU 561 HD23 LEU 561 -4.341 -23.233 2.887 92 H LEU 562 HN LEU 562 -6.839 -19.682 6.713 93 HA LEU 562 HA LEU 562 -5.424 -20.496 9.027 94 HB2 LEU 562 HB2 LEU 562 -5.887 -18.108 8.563 95 HB3 LEU 562 HB1 LEU 562 -7.609 -18.387 8.762 96 HG LEU 562 HG LEU 562 -7.136 -19.054 11.180 97 HD11 LEU 562 HD11 LEU 562 -5.027 -18.331 12.209 98 HD12 LEU 562 HD12 LEU 562 -4.379 -17.927 10.619 99 HD13 LEU 562 HD13 LEU 562 -4.770 -19.603 11.014 100 HD21 LEU 562 HD21 LEU 562 -8.074 -16.858 10.642 101 HD22 LEU 562 HD22 LEU 562 -6.451 -16.196 10.439 102 HD23 LEU 562 HD23 LEU 562 -6.979 -16.763 12.022 103 H GLU 563 HN GLU 563 -8.914 -20.250 8.415 104 HA GLU 563 HA GLU 563 -9.927 -21.121 10.849 105 HB2 GLU 563 HB2 GLU 563 -11.099 -21.381 8.048 106 HB3 GLU 563 HB1 GLU 563 -12.018 -21.665 9.528 107 HG2 GLU 563 HG2 GLU 563 -11.767 -19.354 10.201 108 HG3 GLU 563 HG1 GLU 563 -10.673 -19.025 8.857 109 H GLN 564 HN GLN 564 -9.124 -23.019 7.945 110 HA GLN 564 HA GLN 564 -9.856 -25.569 8.942 111 HB2 GLN 564 HB2 GLN 564 -9.528 -25.144 6.534 112 HB3 GLN 564 HB1 GLN 564 -7.813 -24.839 6.799 113 HG2 GLN 564 HG2 GLN 564 -7.492 -27.182 7.483 114 HG3 GLN 564 HG1 GLN 564 -9.213 -27.493 7.284 115 HE21 GLN 564 HE21 GLN 564 -6.969 -28.801 6.010 116 HE22 GLN 564 HE22 GLN 564 -7.192 -28.622 4.307 117 H ALA 565 HN ALA 565 -6.760 -23.804 8.907 118 HA ALA 565 HA ALA 565 -5.107 -25.893 9.865 119 HB1 ALA 565 HB1 ALA 565 -4.615 -22.908 9.940 120 HB2 ALA 565 HB2 ALA 565 -4.249 -23.978 8.588 121 HB3 ALA 565 HB3 ALA 565 -3.385 -24.170 10.116 122 H LEU 566 HN LEU 566 -7.051 -23.514 11.545 123 HA LEU 566 HA LEU 566 -5.903 -23.737 14.153 124 HB2 LEU 566 HB2 LEU 566 -8.690 -22.902 13.256 125 HB3 LEU 566 HB1 LEU 566 -8.077 -22.707 14.894 126 HG LEU 566 HG LEU 566 -6.790 -21.390 12.468 127 HD11 LEU 566 HD11 LEU 566 -9.045 -20.505 12.675 128 HD12 LEU 566 HD12 LEU 566 -7.865 -19.291 13.163 129 HD13 LEU 566 HD13 LEU 566 -8.788 -20.166 14.388 130 HD21 LEU 566 HD21 LEU 566 -5.278 -21.681 14.376 131 HD22 LEU 566 HD22 LEU 566 -6.429 -20.864 15.436 132 HD23 LEU 566 HD23 LEU 566 -5.654 -19.977 14.120 133 H LYS 567 HN LYS 567 -8.162 -25.627 12.333 134 HA LYS 567 HA LYS 567 -9.076 -27.233 14.620 135 HB2 LYS 567 HB2 LYS 567 -9.930 -27.318 11.687 136 HB3 LYS 567 HB1 LYS 567 -10.747 -28.115 13.036 137 HG2 LYS 567 HG2 LYS 567 -11.442 -25.999 13.969 138 HG3 LYS 567 HG1 LYS 567 -10.409 -25.102 12.851 139 HD2 LYS 567 HD2 LYS 567 -11.824 -25.944 10.954 140 HD3 LYS 567 HD1 LYS 567 -12.906 -26.693 12.137 141 HE2 LYS 567 HE2 LYS 567 -13.404 -24.473 13.092 142 HE3 LYS 567 HE1 LYS 567 -12.285 -23.716 11.954 143 HZ1 LYS 567 HZ1 LYS 567 -13.688 -24.438 10.148 144 HZ2 LYS 567 HZ2 LYS 567 -14.581 -23.519 11.249 145 HZ3 LYS 567 HZ3 LYS 567 -14.745 -25.201 11.220 146 H THR 568 HN THR 568 -7.073 -27.413 11.729 147 HA THR 568 HA THR 568 -6.646 -30.226 11.660 148 HB THR 568 HB THR 568 -4.786 -28.053 10.562 149 HG1 THR 568 HG1 THR 568 -6.011 -28.624 8.561 150 HG21 THR 568 HG21 THR 568 -4.089 -29.784 8.938 151 HG22 THR 568 HG22 THR 568 -5.154 -30.956 9.715 152 HG23 THR 568 HG23 THR 568 -3.764 -30.315 10.595 153 H TYR 569 HN TYR 569 -4.763 -27.474 12.893 154 HA TYR 569 HA TYR 569 -3.183 -29.234 14.664 155 HB2 TYR 569 HB2 TYR 569 -2.499 -26.305 14.264 156 HB3 TYR 569 HB1 TYR 569 -1.428 -27.656 14.619 157 HD1 TYR 569 HD2 TYR 569 -1.398 -29.518 12.589 158 HD2 TYR 569 HD1 TYR 569 -2.287 -25.363 12.134 159 HE1 TYR 569 HE2 TYR 569 -0.824 -29.648 10.207 160 HE2 TYR 569 HE1 TYR 569 -1.718 -25.504 9.745 161 HH TYR 569 HH TYR 569 -0.298 -26.963 8.269 162 HA PRO 570 HA PRO 570 -6.282 -27.460 17.657 163 HB2 PRO 570 HB2 PRO 570 -4.834 -29.467 19.390 164 HB3 PRO 570 HB1 PRO 570 -6.571 -29.173 19.221 165 HG2 PRO 570 HG2 PRO 570 -5.483 -31.307 18.076 166 HG3 PRO 570 HG1 PRO 570 -6.703 -30.362 17.188 167 HD2 PRO 570 HD2 PRO 570 -3.694 -30.329 16.892 168 HD3 PRO 570 HD1 PRO 570 -4.948 -30.335 15.630 169 H VAL 571 HN VAL 571 -6.039 -26.442 19.787 170 HA VAL 571 HA VAL 571 -3.993 -24.558 19.938 171 HB VAL 571 HB VAL 571 -6.143 -24.155 21.001 172 HG11 VAL 571 HG11 VAL 571 -5.480 -26.365 22.991 173 HG12 VAL 571 HG12 VAL 571 -6.715 -26.437 21.734 174 HG13 VAL 571 HG13 VAL 571 -6.889 -25.299 23.072 175 HG21 VAL 571 HG21 VAL 571 -4.218 -22.912 21.924 176 HG22 VAL 571 HG22 VAL 571 -3.949 -24.187 23.115 177 HG23 VAL 571 HG23 VAL 571 -5.425 -23.219 23.179 178 H ASN 572 HN ASN 572 -4.193 -27.732 21.425 179 HA ASN 572 HA ASN 572 -2.104 -27.413 23.351 180 HB2 ASN 572 HB2 ASN 572 -3.326 -29.979 22.244 181 HB3 ASN 572 HB1 ASN 572 -2.369 -29.847 23.717 182 HD21 ASN 572 HD21 ASN 572 -5.146 -30.754 23.270 183 HD22 ASN 572 HD22 ASN 572 -6.123 -29.790 24.313 184 H THR 573 HN THR 573 -2.059 -28.060 19.968 185 HA THR 573 HA THR 573 0.324 -29.574 19.711 186 HB THR 573 HB THR 573 -0.816 -27.598 17.679 187 HG1 THR 573 HG1 THR 573 -2.470 -28.914 17.806 188 HG21 THR 573 HG21 THR 573 0.906 -30.083 17.293 189 HG22 THR 573 HG22 THR 573 1.451 -28.415 17.096 190 HG23 THR 573 HG23 THR 573 0.243 -29.085 15.994 191 HA PRO 574 HA PRO 574 3.146 -26.211 21.039 192 HB2 PRO 574 HB2 PRO 574 5.231 -28.157 20.074 193 HB3 PRO 574 HB1 PRO 574 5.104 -27.330 21.634 194 HG2 PRO 574 HG2 PRO 574 4.513 -29.915 21.455 195 HG3 PRO 574 HG1 PRO 574 3.495 -28.847 22.448 196 HD2 PRO 574 HD2 PRO 574 2.979 -29.888 19.654 197 HD3 PRO 574 HD1 PRO 574 1.871 -29.804 21.046 198 H GLU 575 HN GLU 575 3.157 -27.845 17.950 199 HA GLU 575 HA GLU 575 4.580 -25.654 16.587 200 HB2 GLU 575 HB2 GLU 575 3.765 -28.442 15.658 201 HB3 GLU 575 HB1 GLU 575 4.514 -27.249 14.603 202 HG2 GLU 575 HG2 GLU 575 6.532 -27.275 16.046 203 HG3 GLU 575 HG1 GLU 575 5.777 -28.515 17.052 204 H ARG 576 HN ARG 576 1.659 -25.464 17.573 205 HA ARG 576 HA ARG 576 -0.192 -25.929 15.518 206 HB2 ARG 576 HB2 ARG 576 -0.863 -25.227 17.873 207 HB3 ARG 576 HB1 ARG 576 -0.383 -23.580 17.468 208 HG2 ARG 576 HG2 ARG 576 -2.075 -23.662 15.555 209 HG3 ARG 576 HG1 ARG 576 -2.629 -25.199 16.217 210 HD2 ARG 576 HD2 ARG 576 -3.035 -23.877 18.413 211 HD3 ARG 576 HD1 ARG 576 -2.850 -22.435 17.412 212 HE ARG 576 HE ARG 576 -4.709 -24.046 16.112 213 HH11 ARG 576 HH11 ARG 576 -4.536 -22.381 19.198 214 HH12 ARG 576 HH12 ARG 576 -6.256 -22.252 19.353 215 HH21 ARG 576 HH21 ARG 576 -6.967 -23.869 16.361 216 HH22 ARG 576 HH22 ARG 576 -7.615 -23.080 17.759 217 H TRP 577 HN TRP 577 1.349 -22.844 16.342 218 HA TRP 577 HA TRP 577 0.373 -21.477 14.014 219 HB2 TRP 577 HB2 TRP 577 2.337 -20.583 16.170 220 HB3 TRP 577 HB1 TRP 577 1.570 -19.529 14.984 221 HD1 TRP 577 HD1 TRP 577 0.963 -21.120 18.349 222 HE1 TRP 577 HE1 TRP 577 -1.399 -20.550 19.179 223 HE3 TRP 577 HE3 TRP 577 -0.943 -19.073 14.061 224 HZ2 TRP 577 HZ2 TRP 577 -3.755 -19.420 18.164 225 HZ3 TRP 577 HZ3 TRP 577 -3.274 -18.281 14.076 226 HH2 TRP 577 HH2 TRP 577 -4.643 -18.461 16.090 227 H LYS 578 HN LYS 578 3.388 -23.024 14.932 228 HA LYS 578 HA LYS 578 5.099 -22.090 12.903 229 HB2 LYS 578 HB2 LYS 578 4.973 -24.827 14.247 230 HB3 LYS 578 HB1 LYS 578 6.317 -24.267 13.254 231 HG2 LYS 578 HG2 LYS 578 5.408 -22.975 15.848 232 HG3 LYS 578 HG1 LYS 578 6.771 -24.087 15.684 233 HD2 LYS 578 HD2 LYS 578 6.587 -21.416 14.219 234 HD3 LYS 578 HD1 LYS 578 7.359 -21.618 15.790 235 HE2 LYS 578 HE2 LYS 578 9.087 -21.643 14.113 236 HE3 LYS 578 HE1 LYS 578 8.937 -23.276 14.744 237 HZ1 LYS 578 HZ1 LYS 578 9.205 -23.173 12.333 238 HZ2 LYS 578 HZ2 LYS 578 7.744 -22.338 12.196 239 HZ3 LYS 578 HZ3 LYS 578 7.761 -23.925 12.777 240 H LYS 579 HN LYS 579 2.746 -24.732 12.907 241 HA LYS 579 HA LYS 579 3.235 -25.527 10.167 242 HB2 LYS 579 HB2 LYS 579 1.114 -26.344 12.184 243 HB3 LYS 579 HB1 LYS 579 1.285 -27.062 10.583 244 HG2 LYS 579 HG2 LYS 579 3.454 -27.979 11.148 245 HG3 LYS 579 HG1 LYS 579 3.477 -27.115 12.691 246 HD2 LYS 579 HD2 LYS 579 1.602 -28.463 13.516 247 HD3 LYS 579 HD1 LYS 579 1.435 -29.254 11.948 248 HE2 LYS 579 HE2 LYS 579 3.882 -29.493 13.742 249 HE3 LYS 579 HE1 LYS 579 2.572 -30.671 13.662 250 HZ1 LYS 579 HZ1 LYS 579 3.071 -31.029 11.340 251 HZ2 LYS 579 HZ2 LYS 579 4.440 -31.318 12.290 252 HZ3 LYS 579 HZ3 LYS 579 4.316 -29.889 11.395 253 H ILE 580 HN ILE 580 1.028 -23.345 11.842 254 HA ILE 580 HA ILE 580 -0.799 -22.940 9.650 255 HB ILE 580 HB ILE 580 -0.256 -21.251 12.142 256 HG12 ILE 580 HG12 ILE 580 -2.588 -23.072 11.398 257 HG13 ILE 580 HG11 ILE 580 -1.310 -23.480 12.523 258 HG21 ILE 580 HG21 ILE 580 -1.106 -19.733 10.387 259 HG22 ILE 580 HG22 ILE 580 -2.311 -19.965 11.651 260 HG23 ILE 580 HG23 ILE 580 -2.479 -20.805 10.108 261 HD11 ILE 580 HD11 ILE 580 -3.362 -22.901 13.657 262 HD12 ILE 580 HD12 ILE 580 -3.365 -21.312 12.896 263 HD13 ILE 580 HD13 ILE 580 -2.092 -21.740 14.042 264 H ALA 581 HN ALA 581 2.289 -21.519 10.574 265 HA ALA 581 HA ALA 581 2.551 -19.515 8.637 266 HB1 ALA 581 HB1 ALA 581 4.211 -19.883 10.425 267 HB2 ALA 581 HB2 ALA 581 4.982 -19.811 8.841 268 HB3 ALA 581 HB3 ALA 581 4.741 -21.372 9.637 269 H GLU 582 HN GLU 582 2.871 -22.999 8.332 270 HA GLU 582 HA GLU 582 3.790 -22.975 5.590 271 HB2 GLU 582 HB2 GLU 582 2.722 -25.295 7.258 272 HB3 GLU 582 HB1 GLU 582 3.649 -25.421 5.759 273 HG2 GLU 582 HG2 GLU 582 5.591 -24.362 6.915 274 HG3 GLU 582 HG1 GLU 582 4.654 -24.320 8.410 275 H ALA 583 HN ALA 583 0.739 -23.379 7.295 276 HA ALA 583 HA ALA 583 -0.769 -24.330 5.012 277 HB1 ALA 583 HB1 ALA 583 -1.276 -25.127 7.289 278 HB2 ALA 583 HB2 ALA 583 -2.680 -24.349 6.560 279 HB3 ALA 583 HB3 ALA 583 -1.730 -23.490 7.776 280 H VAL 584 HN VAL 584 -0.194 -21.231 6.551 281 HA VAL 584 HA VAL 584 -2.041 -19.851 4.678 282 HB VAL 584 HB VAL 584 -1.247 -18.812 7.448 283 HG11 VAL 584 HG11 VAL 584 -3.376 -17.835 5.500 284 HG12 VAL 584 HG12 VAL 584 -1.836 -17.040 5.841 285 HG13 VAL 584 HG13 VAL 584 -3.062 -17.162 7.103 286 HG21 VAL 584 HG21 VAL 584 -2.630 -20.818 7.740 287 HG22 VAL 584 HG22 VAL 584 -3.860 -20.155 6.661 288 HG23 VAL 584 HG23 VAL 584 -3.530 -19.374 8.211 289 HA PRO 585 HA PRO 585 2.270 -18.411 3.812 290 HB2 PRO 585 HB2 PRO 585 2.227 -18.615 1.110 291 HB3 PRO 585 HB1 PRO 585 2.448 -20.022 2.157 292 HG2 PRO 585 HG2 PRO 585 0.013 -19.129 0.663 293 HG3 PRO 585 HG1 PRO 585 0.581 -20.774 1.006 294 HD2 PRO 585 HD2 PRO 585 -1.425 -19.381 2.434 295 HD3 PRO 585 HD1 PRO 585 -0.601 -20.860 2.966 296 H GLY 586 HN GLY 586 2.317 -16.289 4.306 297 HA2 GLY 586 HA2 GLY 586 2.637 -14.146 3.054 298 HA3 GLY 586 HA1 GLY 586 0.984 -14.326 2.505 299 H ARG 587 HN ARG 587 -0.104 -15.155 5.143 300 HA ARG 587 HA ARG 587 0.056 -12.592 6.610 301 HB2 ARG 587 HB2 ARG 587 -1.637 -15.029 7.324 302 HB3 ARG 587 HB1 ARG 587 -1.741 -13.425 8.037 303 HG2 ARG 587 HG2 ARG 587 -2.395 -14.126 5.155 304 HG3 ARG 587 HG1 ARG 587 -3.563 -13.808 6.441 305 HD2 ARG 587 HD2 ARG 587 -1.494 -11.744 5.644 306 HD3 ARG 587 HD1 ARG 587 -3.013 -11.893 4.799 307 HE ARG 587 HE ARG 587 -3.595 -11.677 7.508 308 HH11 ARG 587 HH11 ARG 587 -2.203 -9.660 4.996 309 HH12 ARG 587 HH12 ARG 587 -2.628 -8.191 5.799 310 HH21 ARG 587 HH21 ARG 587 -4.116 -9.742 8.548 311 HH22 ARG 587 HH22 ARG 587 -3.699 -8.226 7.813 312 H THR 588 HN THR 588 0.721 -12.364 8.662 313 HA THR 588 HA THR 588 2.812 -14.245 9.566 314 HB THR 588 HB THR 588 3.263 -12.386 11.292 315 HG1 THR 588 HG1 THR 588 2.256 -10.305 10.477 316 HG21 THR 588 HG21 THR 588 4.320 -10.838 9.671 317 HG22 THR 588 HG22 THR 588 3.403 -11.571 8.352 318 HG23 THR 588 HG23 THR 588 4.613 -12.516 9.224 319 H LYS 589 HN LYS 589 2.935 -14.841 11.898 320 HA LYS 589 HA LYS 589 0.425 -16.080 12.587 321 HB2 LYS 589 HB2 LYS 589 3.248 -16.392 13.512 322 HB3 LYS 589 HB1 LYS 589 1.984 -16.956 14.588 323 HG2 LYS 589 HG2 LYS 589 2.923 -18.727 13.098 324 HG3 LYS 589 HG1 LYS 589 1.175 -18.551 13.003 325 HD2 LYS 589 HD2 LYS 589 2.821 -17.057 10.970 326 HD3 LYS 589 HD1 LYS 589 2.752 -18.804 10.821 327 HE2 LYS 589 HE2 LYS 589 0.273 -18.692 10.703 328 HE3 LYS 589 HE1 LYS 589 0.353 -16.938 10.819 329 HZ1 LYS 589 HZ1 LYS 589 1.307 -18.651 8.603 330 HZ2 LYS 589 HZ2 LYS 589 1.725 -17.023 8.742 331 HZ3 LYS 589 HZ3 LYS 589 0.103 -17.466 8.560 332 H LYS 590 HN LYS 590 2.334 -13.440 14.017 333 HA LYS 590 HA LYS 590 0.731 -13.070 16.323 334 HB2 LYS 590 HB2 LYS 590 1.524 -10.601 16.150 335 HB3 LYS 590 HB1 LYS 590 2.738 -11.843 16.369 336 HG2 LYS 590 HG2 LYS 590 3.660 -10.328 14.801 337 HG3 LYS 590 HG1 LYS 590 3.171 -11.740 13.867 338 HD2 LYS 590 HD2 LYS 590 2.603 -9.741 12.626 339 HD3 LYS 590 HD1 LYS 590 1.118 -10.521 13.148 340 HE2 LYS 590 HE2 LYS 590 0.849 -8.154 13.441 341 HE3 LYS 590 HE1 LYS 590 1.007 -8.860 15.052 342 HZ1 LYS 590 HZ1 LYS 590 2.323 -6.825 14.745 343 HZ2 LYS 590 HZ2 LYS 590 3.221 -7.588 13.533 344 HZ3 LYS 590 HZ3 LYS 590 3.292 -8.160 15.124 345 H ASP 591 HN ASP 591 0.260 -12.245 13.002 346 HA ASP 591 HA ASP 591 -2.072 -10.584 13.262 347 HB2 ASP 591 HB2 ASP 591 -0.584 -10.380 11.290 348 HB3 ASP 591 HB1 ASP 591 -0.794 -12.075 10.931 349 H CYS 592 HN CYS 592 -1.377 -13.994 12.595 350 HA CYS 592 HA CYS 592 -4.051 -14.828 12.041 351 HB2 CYS 592 HB2 CYS 592 -1.559 -16.400 12.766 352 HB3 CYS 592 HB1 CYS 592 -3.069 -17.138 12.232 353 HG CYS 592 HG CYS 592 -1.927 -14.780 10.163 354 H MET 593 HN MET 593 -2.147 -14.538 14.963 355 HA MET 593 HA MET 593 -3.907 -15.981 16.732 356 HB2 MET 593 HB2 MET 593 -1.735 -13.904 17.270 357 HB3 MET 593 HB1 MET 593 -2.624 -14.719 18.545 358 HG2 MET 593 HG2 MET 593 -1.666 -16.847 17.949 359 HG3 MET 593 HG1 MET 593 -0.960 -16.173 16.479 360 HE1 MET 593 HE1 MET 593 1.173 -17.685 17.866 361 HE2 MET 593 HE2 MET 593 2.449 -16.502 18.157 362 HE3 MET 593 HE3 MET 593 1.557 -16.481 16.634 363 H LYS 594 HN LYS 594 -3.492 -12.644 15.703 364 HA LYS 594 HA LYS 594 -5.416 -11.372 17.347 365 HB2 LYS 594 HB2 LYS 594 -3.585 -10.210 16.084 366 HB3 LYS 594 HB1 LYS 594 -4.416 -10.550 14.576 367 HG2 LYS 594 HG2 LYS 594 -5.822 -8.956 16.726 368 HG3 LYS 594 HG1 LYS 594 -4.593 -8.173 15.734 369 HD2 LYS 594 HD2 LYS 594 -5.900 -8.785 13.691 370 HD3 LYS 594 HD1 LYS 594 -7.143 -9.503 14.714 371 HE2 LYS 594 HE2 LYS 594 -7.595 -7.303 15.729 372 HE3 LYS 594 HE1 LYS 594 -6.319 -6.574 14.747 373 HZ1 LYS 594 HZ1 LYS 594 -7.591 -7.192 12.762 374 HZ2 LYS 594 HZ2 LYS 594 -8.467 -6.169 13.775 375 HZ3 LYS 594 HZ3 LYS 594 -8.820 -7.822 13.734 376 H ARG 595 HN ARG 595 -5.634 -12.850 14.107 377 HA ARG 595 HA ARG 595 -8.390 -12.124 13.714 378 HB2 ARG 595 HB2 ARG 595 -6.422 -12.860 11.955 379 HB3 ARG 595 HB1 ARG 595 -7.274 -14.391 12.085 380 HG2 ARG 595 HG2 ARG 595 -8.455 -11.728 11.207 381 HG3 ARG 595 HG1 ARG 595 -8.098 -13.108 10.168 382 HD2 ARG 595 HD2 ARG 595 -9.855 -14.404 11.192 383 HD3 ARG 595 HD1 ARG 595 -10.113 -13.184 12.444 384 HE ARG 595 HE ARG 595 -10.614 -12.593 9.587 385 HH11 ARG 595 HH11 ARG 595 -11.755 -12.662 12.904 386 HH12 ARG 595 HH12 ARG 595 -13.298 -11.973 12.528 387 HH21 ARG 595 HH21 ARG 595 -12.668 -11.701 9.090 388 HH22 ARG 595 HH22 ARG 595 -13.828 -11.433 10.356 389 H TYR 596 HN TYR 596 -6.697 -15.126 14.679 390 HA TYR 596 HA TYR 596 -8.916 -16.832 15.026 391 HB2 TYR 596 HB2 TYR 596 -6.739 -17.816 15.072 392 HB3 TYR 596 HB1 TYR 596 -6.184 -16.748 16.352 393 HD1 TYR 596 HD2 TYR 596 -9.022 -19.237 15.934 394 HD2 TYR 596 HD1 TYR 596 -5.783 -17.875 18.372 395 HE1 TYR 596 HE2 TYR 596 -9.505 -21.009 17.567 396 HE2 TYR 596 HE1 TYR 596 -6.268 -19.646 20.001 397 HH TYR 596 HH TYR 596 -8.240 -21.062 20.675 398 H LYS 597 HN LYS 597 -7.441 -14.468 17.196 399 HA LYS 597 HA LYS 597 -8.959 -14.799 19.510 400 HB2 LYS 597 HB2 LYS 597 -7.093 -13.284 19.535 401 HB3 LYS 597 HB1 LYS 597 -7.742 -12.334 18.207 402 HG2 LYS 597 HG2 LYS 597 -9.576 -11.552 19.707 403 HG3 LYS 597 HG1 LYS 597 -8.832 -12.450 21.033 404 HD2 LYS 597 HD2 LYS 597 -6.817 -11.042 20.887 405 HD3 LYS 597 HD1 LYS 597 -7.493 -10.195 19.488 406 HE2 LYS 597 HE2 LYS 597 -7.722 -8.901 21.611 407 HE3 LYS 597 HE1 LYS 597 -9.276 -9.256 20.857 408 HZ1 LYS 597 HZ1 LYS 597 -9.670 -10.987 22.430 409 HZ2 LYS 597 HZ2 LYS 597 -9.223 -9.600 23.292 410 HZ3 LYS 597 HZ3 LYS 597 -8.110 -10.852 23.069 411 H GLU 598 HN GLU 598 -9.621 -12.717 16.675 412 HA GLU 598 HA GLU 598 -12.162 -11.781 17.473 413 HB2 GLU 598 HB2 GLU 598 -11.056 -12.090 14.644 414 HB3 GLU 598 HB1 GLU 598 -12.439 -11.092 15.093 415 HG2 GLU 598 HG2 GLU 598 -10.994 -9.652 16.430 416 HG3 GLU 598 HG1 GLU 598 -9.598 -10.667 16.071 417 H LEU 599 HN LEU 599 -11.203 -14.702 15.688 418 HA LEU 599 HA LEU 599 -13.771 -15.419 14.679 419 HB2 LEU 599 HB2 LEU 599 -11.314 -17.155 15.171 420 HB3 LEU 599 HB1 LEU 599 -12.753 -17.703 14.323 421 HG LEU 599 HG LEU 599 -10.938 -15.444 13.373 422 HD11 LEU 599 HD11 LEU 599 -10.168 -16.980 11.624 423 HD12 LEU 599 HD12 LEU 599 -11.113 -18.290 12.339 424 HD13 LEU 599 HD13 LEU 599 -9.766 -17.579 13.233 425 HD21 LEU 599 HD21 LEU 599 -12.182 -15.566 11.257 426 HD22 LEU 599 HD22 LEU 599 -13.239 -15.129 12.597 427 HD23 LEU 599 HD23 LEU 599 -13.269 -16.773 11.951 428 H VAL 600 HN VAL 600 -11.929 -16.556 17.556 429 HA VAL 600 HA VAL 600 -13.975 -18.324 18.479 430 HB VAL 600 HB VAL 600 -11.611 -18.673 19.122 431 HG11 VAL 600 HG11 VAL 600 -11.855 -16.176 20.843 432 HG12 VAL 600 HG12 VAL 600 -10.869 -16.337 19.391 433 HG13 VAL 600 HG13 VAL 600 -10.480 -17.288 20.822 434 HG21 VAL 600 HG21 VAL 600 -13.367 -19.663 20.550 435 HG22 VAL 600 HG22 VAL 600 -13.388 -18.210 21.551 436 HG23 VAL 600 HG23 VAL 600 -11.949 -19.228 21.511 437 H GLU 601 HN GLU 601 -13.210 -14.913 19.107 438 HA GLU 601 HA GLU 601 -14.993 -14.555 21.304 439 HB2 GLU 601 HB2 GLU 601 -13.694 -12.547 19.425 440 HB3 GLU 601 HB1 GLU 601 -14.747 -12.058 20.750 441 HG2 GLU 601 HG2 GLU 601 -13.215 -13.128 22.356 442 HG3 GLU 601 HG1 GLU 601 -12.147 -13.595 21.033 443 H MET 602 HN MET 602 -15.388 -14.108 17.776 444 HA MET 602 HA MET 602 -17.933 -12.810 17.973 445 HB2 MET 602 HB2 MET 602 -18.090 -12.947 15.577 446 HB3 MET 602 HB1 MET 602 -16.415 -12.600 15.965 447 HG2 MET 602 HG2 MET 602 -15.803 -14.914 15.516 448 HG3 MET 602 HG1 MET 602 -17.491 -15.332 15.233 449 HE1 MET 602 HE1 MET 602 -16.125 -15.661 11.622 450 HE2 MET 602 HE2 MET 602 -17.158 -16.374 12.861 451 HE3 MET 602 HE3 MET 602 -15.421 -16.215 13.140 452 H VAL 603 HN VAL 603 -16.919 -16.182 17.550 453 HA VAL 603 HA VAL 603 -19.502 -17.264 17.033 454 HB VAL 603 HB VAL 603 -16.966 -18.601 18.090 455 HG11 VAL 603 HG11 VAL 603 -18.906 -19.939 18.824 456 HG12 VAL 603 HG12 VAL 603 -18.028 -20.785 17.552 457 HG13 VAL 603 HG13 VAL 603 -19.542 -19.959 17.176 458 HG21 VAL 603 HG21 VAL 603 -18.229 -18.637 15.312 459 HG22 VAL 603 HG22 VAL 603 -16.763 -19.499 15.786 460 HG23 VAL 603 HG23 VAL 603 -16.784 -17.734 15.775 461 H LYS 604 HN LYS 604 -17.552 -17.029 20.048 462 HA LYS 604 HA LYS 604 -19.460 -18.381 21.675 463 HB2 LYS 604 HB2 LYS 604 -18.088 -17.823 23.580 464 HB3 LYS 604 HB1 LYS 604 -17.035 -18.261 22.243 465 HG2 LYS 604 HG2 LYS 604 -16.504 -15.891 21.852 466 HG3 LYS 604 HG1 LYS 604 -17.607 -15.412 23.147 467 HD2 LYS 604 HD2 LYS 604 -16.197 -16.616 24.792 468 HD3 LYS 604 HD1 LYS 604 -15.102 -17.117 23.499 469 HE2 LYS 604 HE2 LYS 604 -14.177 -15.208 24.737 470 HE3 LYS 604 HE1 LYS 604 -14.528 -14.753 23.074 471 HZ1 LYS 604 HZ1 LYS 604 -15.227 -13.040 24.597 472 HZ2 LYS 604 HZ2 LYS 604 -16.210 -14.123 25.441 473 HZ3 LYS 604 HZ3 LYS 604 -16.585 -13.710 23.847 474 H ALA 605 HN ALA 605 -18.986 -14.968 20.887 475 HA ALA 605 HA ALA 605 -20.598 -13.892 22.994 476 HB1 ALA 605 HB1 ALA 605 -20.479 -11.774 21.755 477 HB2 ALA 605 HB2 ALA 605 -19.824 -12.623 20.350 478 HB3 ALA 605 HB3 ALA 605 -18.893 -12.542 21.845 479 H LYS 606 HN LYS 606 -21.192 -14.594 19.560 480 HA LYS 606 HA LYS 606 -23.935 -13.766 19.531 481 HB2 LYS 606 HB2 LYS 606 -22.141 -15.286 17.631 482 HB3 LYS 606 HB1 LYS 606 -23.873 -15.343 17.358 483 HG2 LYS 606 HG2 LYS 606 -22.805 -13.615 15.983 484 HG3 LYS 606 HG1 LYS 606 -23.978 -12.923 17.103 485 HD2 LYS 606 HD2 LYS 606 -22.168 -12.144 18.571 486 HD3 LYS 606 HD1 LYS 606 -20.962 -12.924 17.546 487 HE2 LYS 606 HE2 LYS 606 -21.069 -10.486 17.135 488 HE3 LYS 606 HE1 LYS 606 -21.520 -11.399 15.695 489 HZ1 LYS 606 HZ1 LYS 606 -22.976 -9.491 16.148 490 HZ2 LYS 606 HZ2 LYS 606 -23.469 -10.210 17.597 491 HZ3 LYS 606 HZ3 LYS 606 -23.816 -10.955 16.118 492 H LYS 607 HN LYS 607 -22.286 -16.813 20.156 493 HA LYS 607 HA LYS 607 -24.503 -18.581 20.158 494 HB2 LYS 607 HB2 LYS 607 -22.149 -19.356 20.010 495 HB3 LYS 607 HB1 LYS 607 -21.843 -18.789 21.643 496 HG2 LYS 607 HG2 LYS 607 -22.117 -21.227 21.576 497 HG3 LYS 607 HG1 LYS 607 -23.379 -20.469 22.555 498 HD2 LYS 607 HD2 LYS 607 -24.968 -20.673 20.662 499 HD3 LYS 607 HD1 LYS 607 -23.704 -21.417 19.674 500 HE2 LYS 607 HE2 LYS 607 -23.611 -23.334 21.190 501 HE3 LYS 607 HE1 LYS 607 -24.770 -22.566 22.277 502 HZ1 LYS 607 HZ1 LYS 607 -26.423 -22.682 20.533 503 HZ2 LYS 607 HZ2 LYS 607 -25.811 -24.219 20.889 504 HZ3 LYS 607 HZ3 LYS 607 -25.310 -23.409 19.490 505 H ALA 608 HN ALA 608 -22.860 -16.821 22.762 506 HA ALA 608 HA ALA 608 -24.430 -17.778 24.923 507 HB1 ALA 608 HB1 ALA 608 -22.784 -15.224 24.734 508 HB2 ALA 608 HB2 ALA 608 -22.192 -16.797 25.262 509 HB3 ALA 608 HB3 ALA 608 -23.399 -15.951 26.228 510 H ALA 609 HN ALA 609 -24.452 -14.667 23.184 511 HA ALA 609 HA ALA 609 -26.489 -13.362 24.542 512 HB1 ALA 609 HB1 ALA 609 -24.970 -12.251 22.947 513 HB2 ALA 609 HB2 ALA 609 -26.660 -11.881 22.588 514 HB3 ALA 609 HB3 ALA 609 -25.779 -13.057 21.604 515 H GLN 610 HN GLN 610 -26.736 -15.477 21.697 516 HA GLN 610 HA GLN 610 -29.512 -15.139 21.202 517 HB2 GLN 610 HB2 GLN 610 -27.459 -16.286 19.795 518 HB3 GLN 610 HB1 GLN 610 -28.225 -17.743 20.399 519 HG2 GLN 610 HG2 GLN 610 -29.595 -15.588 18.762 520 HG3 GLN 610 HG1 GLN 610 -28.951 -17.097 18.119 521 HE21 GLN 610 HE21 GLN 610 -30.080 -19.018 18.480 522 HE22 GLN 610 HE22 GLN 610 -31.709 -19.036 19.056 523 H GLU 611 HN GLU 611 -27.674 -17.659 22.927 524 HA GLU 611 HA GLU 611 -29.897 -19.322 23.555 525 HB2 GLU 611 HB2 GLU 611 -27.546 -20.128 23.365 526 HB3 GLU 611 HB1 GLU 611 -27.126 -19.243 24.825 527 HG2 GLU 611 HG2 GLU 611 -27.410 -21.646 25.253 528 HG3 GLU 611 HG1 GLU 611 -28.567 -20.678 26.164 529 H GLN 612 HN GLN 612 -28.480 -16.555 25.208 530 HA GLN 612 HA GLN 612 -29.759 -17.159 27.755 531 HB2 GLN 612 HB2 GLN 612 -28.202 -14.686 26.918 532 HB3 GLN 612 HB1 GLN 612 -28.760 -15.034 28.553 533 HG2 GLN 612 HG2 GLN 612 -26.762 -16.707 26.993 534 HG3 GLN 612 HG1 GLN 612 -26.344 -15.510 28.210 535 HE21 GLN 612 HE21 GLN 612 -25.222 -17.102 29.395 536 HE22 GLN 612 HE22 GLN 612 -26.041 -18.293 30.333 537 H VAL 613 HN VAL 613 -30.432 -15.175 24.936 538 HA VAL 613 HA VAL 613 -32.768 -13.898 26.053 539 HB VAL 613 HB VAL 613 -31.905 -14.347 23.153 540 HG11 VAL 613 HG11 VAL 613 -33.670 -12.711 22.488 541 HG12 VAL 613 HG12 VAL 613 -34.297 -12.723 24.138 542 HG13 VAL 613 HG13 VAL 613 -34.364 -14.190 23.160 543 HG21 VAL 613 HG21 VAL 613 -30.488 -12.774 24.432 544 HG22 VAL 613 HG22 VAL 613 -31.912 -11.830 24.875 545 HG23 VAL 613 HG23 VAL 613 -31.404 -11.922 23.186 546 H LEU 614 HN LEU 614 -32.123 -16.867 24.195 547 HA LEU 614 HA LEU 614 -34.718 -17.930 24.013 548 HB2 LEU 614 HB2 LEU 614 -32.013 -19.298 24.247 549 HB3 LEU 614 HB1 LEU 614 -33.502 -20.202 24.011 550 HG LEU 614 HG LEU 614 -32.437 -18.123 22.053 551 HD11 LEU 614 HD11 LEU 614 -31.827 -20.037 20.618 552 HD12 LEU 614 HD12 LEU 614 -32.266 -21.153 21.916 553 HD13 LEU 614 HD13 LEU 614 -30.921 -20.029 22.132 554 HD21 LEU 614 HD21 LEU 614 -34.875 -18.354 21.942 555 HD22 LEU 614 HD22 LEU 614 -34.727 -20.108 21.791 556 HD23 LEU 614 HD23 LEU 614 -34.123 -19.055 20.509 557 H ASN 615 HN ASN 615 -32.352 -17.953 26.632 558 HA ASN 615 HA ASN 615 -33.353 -19.964 28.284 559 HB2 ASN 615 HB2 ASN 615 -31.141 -18.864 28.627 560 HB3 ASN 615 HB1 ASN 615 -31.952 -17.405 29.174 561 HD21 ASN 615 HD21 ASN 615 -31.289 -20.771 29.946 562 HD22 ASN 615 HD22 ASN 615 -31.586 -20.643 31.639 563 H ALA 616 HN ALA 616 -34.246 -16.551 28.119 564 HA ALA 616 HA ALA 616 -36.019 -16.413 30.315 565 HB1 ALA 616 HB1 ALA 616 -36.889 -14.376 29.222 566 HB2 ALA 616 HB2 ALA 616 -36.038 -14.809 27.734 567 HB3 ALA 616 HB3 ALA 616 -35.127 -14.418 29.194 568 H SER 617 HN SER 617 -36.493 -17.398 26.949 569 HA SER 617 HA SER 617 -39.369 -17.570 27.083 570 HB2 SER 617 HB2 SER 617 -38.112 -17.032 24.984 571 HB3 SER 617 HB1 SER 617 -37.470 -18.674 24.970 572 HG SER 617 HG SER 617 -40.182 -17.856 24.712 573 H ARG 618 HN ARG 618 -36.684 -19.784 27.650 574 HA ARG 618 HA ARG 618 -38.553 -22.071 27.983 575 HB2 ARG 618 HB2 ARG 618 -36.592 -23.559 27.638 576 HB3 ARG 618 HB1 ARG 618 -36.909 -22.531 26.246 577 HG2 ARG 618 HG2 ARG 618 -35.050 -21.020 27.048 578 HG3 ARG 618 HG1 ARG 618 -34.676 -22.220 28.285 579 HD2 ARG 618 HD2 ARG 618 -33.205 -22.408 26.272 580 HD3 ARG 618 HD1 ARG 618 -34.138 -23.877 26.565 581 HE ARG 618 HE ARG 618 -35.731 -22.675 24.823 582 HH11 ARG 618 HH11 ARG 618 -32.232 -22.908 24.604 583 HH12 ARG 618 HH12 ARG 618 -32.241 -22.978 22.875 584 HH21 ARG 618 HH21 ARG 618 -35.707 -22.742 22.578 585 HH22 ARG 618 HH22 ARG 618 -34.203 -22.881 21.724 586 H ALA 619 HN ALA 619 -37.708 -19.838 29.907 587 HA ALA 619 HA ALA 619 -36.250 -21.013 32.078 588 HB1 ALA 619 HB1 ALA 619 -36.961 -19.011 33.338 589 HB2 ALA 619 HB2 ALA 619 -38.106 -18.601 32.057 590 HB3 ALA 619 HB3 ALA 619 -36.371 -18.572 31.735 591 H LYS 620 HN LYS 620 -37.255 -21.077 34.317 592 HA LYS 620 HA LYS 620 -38.640 -21.796 35.921 593 HB2 LYS 620 HB2 LYS 620 -40.919 -21.298 33.951 594 HB3 LYS 620 HB1 LYS 620 -41.095 -21.547 35.689 595 HG2 LYS 620 HG2 LYS 620 -39.713 -19.201 34.330 596 HG3 LYS 620 HG1 LYS 620 -41.289 -19.175 35.132 597 HD2 LYS 620 HD2 LYS 620 -40.215 -19.634 37.303 598 HD3 LYS 620 HD1 LYS 620 -38.636 -19.761 36.517 599 HE2 LYS 620 HE2 LYS 620 -38.907 -17.581 37.609 600 HE3 LYS 620 HE1 LYS 620 -38.758 -17.388 35.862 601 HZ1 LYS 620 HZ1 LYS 620 -41.342 -17.394 37.331 602 HZ2 LYS 620 HZ2 LYS 620 -41.108 -17.044 35.693 603 HZ3 LYS 620 HZ3 LYS 620 -40.504 -16.000 36.877 604 H LYS 621 HN LYS 621 -38.553 -23.855 36.541 605 HA LYS 621 HA LYS 621 -39.564 -26.015 34.807 606 HB2 LYS 621 HB2 LYS 621 -36.866 -25.462 34.880 607 HB3 LYS 621 HB1 LYS 621 -36.975 -26.540 36.255 608 HG2 LYS 621 HG2 LYS 621 -36.347 -27.811 34.301 609 HG3 LYS 621 HG1 LYS 621 -37.971 -28.290 34.799 610 HD2 LYS 621 HD2 LYS 621 -37.783 -28.065 32.329 611 HD3 LYS 621 HD1 LYS 621 -38.971 -26.948 33.003 612 HE2 LYS 621 HE2 LYS 621 -37.330 -25.099 32.839 613 HE3 LYS 621 HE1 LYS 621 -36.119 -26.215 32.205 614 HZ1 LYS 621 HZ1 LYS 621 -38.710 -25.641 30.877 615 HZ2 LYS 621 HZ2 LYS 621 -37.410 -26.531 30.249 616 HZ3 LYS 621 HZ3 LYS 621 -37.251 -24.867 30.507 Start of MODEL 9 1 H PHE 551 HN PHE 551 2.455 -4.564 6.006 2 HA PHE 551 HA PHE 551 0.470 -6.629 6.335 3 HB2 PHE 551 HB2 PHE 551 0.407 -4.402 7.529 4 HB3 PHE 551 HB1 PHE 551 0.021 -3.629 5.997 5 HD1 PHE 551 HD1 PHE 551 -2.240 -3.916 4.984 6 HD2 PHE 551 HD2 PHE 551 -1.263 -5.761 8.716 7 HE1 PHE 551 HE1 PHE 551 -4.629 -4.347 5.403 8 HE2 PHE 551 HE2 PHE 551 -3.651 -6.186 9.127 9 HZ PHE 551 HZ PHE 551 -5.335 -5.487 7.471 10 H THR 552 HN THR 552 -0.441 -7.689 4.691 11 HA THR 552 HA THR 552 -1.516 -6.122 2.413 12 HB THR 552 HB THR 552 -1.517 -8.244 1.044 13 HG1 THR 552 HG1 THR 552 -0.070 -9.944 1.846 14 HG21 THR 552 HG21 THR 552 0.897 -8.320 0.521 15 HG22 THR 552 HG22 THR 552 1.255 -7.433 2.002 16 HG23 THR 552 HG23 THR 552 0.339 -6.653 0.710 17 HA PRO 553 HA PRO 553 -5.403 -7.181 4.317 18 HB2 PRO 553 HB2 PRO 553 -7.150 -7.172 2.185 19 HB3 PRO 553 HB1 PRO 553 -6.441 -5.703 2.864 20 HG2 PRO 553 HG2 PRO 553 -5.562 -7.292 0.455 21 HG3 PRO 553 HG1 PRO 553 -5.769 -5.533 0.612 22 HD2 PRO 553 HD2 PRO 553 -3.332 -6.679 0.780 23 HD3 PRO 553 HD1 PRO 553 -3.756 -5.271 1.782 24 H TRP 554 HN TRP 554 -6.425 -8.978 5.011 25 HA TRP 554 HA TRP 554 -5.841 -11.588 4.293 26 HB2 TRP 554 HB2 TRP 554 -8.255 -10.403 5.705 27 HB3 TRP 554 HB1 TRP 554 -8.110 -12.136 5.452 28 HD1 TRP 554 HD1 TRP 554 -6.599 -9.283 7.547 29 HE1 TRP 554 HE1 TRP 554 -5.294 -10.326 9.504 30 HE3 TRP 554 HE3 TRP 554 -6.820 -14.207 6.156 31 HZ2 TRP 554 HZ2 TRP 554 -4.447 -12.880 10.333 32 HZ3 TRP 554 HZ3 TRP 554 -5.737 -15.891 7.594 33 HH2 TRP 554 HH2 TRP 554 -4.573 -15.238 9.647 34 H THR 555 HN THR 555 -6.130 -12.463 2.318 35 HA THR 555 HA THR 555 -8.459 -11.895 0.685 36 HB THR 555 HB THR 555 -7.539 -13.558 -0.907 37 HG1 THR 555 HG1 THR 555 -5.136 -13.989 0.227 38 HG21 THR 555 HG21 THR 555 -5.430 -12.403 -1.465 39 HG22 THR 555 HG22 THR 555 -5.418 -11.634 0.123 40 HG23 THR 555 HG23 THR 555 -6.692 -11.244 -1.041 41 H THR 556 HN THR 556 -9.810 -13.743 -0.148 42 HA THR 556 HA THR 556 -11.292 -14.925 1.893 43 HB THR 556 HB THR 556 -11.140 -15.761 -1.040 44 HG1 THR 556 HG1 THR 556 -12.591 -13.733 0.347 45 HG21 THR 556 HG21 THR 556 -13.404 -16.135 0.972 46 HG22 THR 556 HG22 THR 556 -12.372 -17.425 0.343 47 HG23 THR 556 HG23 THR 556 -13.457 -16.557 -0.741 48 H GLU 557 HN GLU 557 -8.786 -16.350 -0.199 49 HA GLU 557 HA GLU 557 -8.928 -19.007 0.718 50 HB2 GLU 557 HB2 GLU 557 -6.661 -19.285 -0.304 51 HB3 GLU 557 HB1 GLU 557 -7.818 -18.492 -1.369 52 HG2 GLU 557 HG2 GLU 557 -6.794 -16.272 -0.629 53 HG3 GLU 557 HG1 GLU 557 -5.528 -17.219 0.150 54 H GLU 558 HN GLU 558 -6.858 -16.298 1.845 55 HA GLU 558 HA GLU 558 -5.219 -17.719 3.637 56 HB2 GLU 558 HB2 GLU 558 -6.091 -14.807 3.608 57 HB3 GLU 558 HB1 GLU 558 -4.889 -15.425 4.737 58 HG2 GLU 558 HG2 GLU 558 -3.330 -15.877 3.001 59 HG3 GLU 558 HG1 GLU 558 -4.558 -15.698 1.746 60 H GLN 559 HN GLN 559 -8.306 -16.058 4.188 61 HA GLN 559 HA GLN 559 -8.347 -16.357 7.026 62 HB2 GLN 559 HB2 GLN 559 -9.578 -14.608 5.635 63 HB3 GLN 559 HB1 GLN 559 -10.728 -15.859 5.189 64 HG2 GLN 559 HG2 GLN 559 -10.211 -15.122 8.084 65 HG3 GLN 559 HG1 GLN 559 -11.348 -14.220 7.091 66 HE21 GLN 559 HE21 GLN 559 -11.821 -15.782 9.512 67 HE22 GLN 559 HE22 GLN 559 -13.010 -16.960 9.098 68 H LYS 560 HN LYS 560 -9.738 -18.219 4.349 69 HA LYS 560 HA LYS 560 -11.133 -20.154 5.943 70 HB2 LYS 560 HB2 LYS 560 -10.162 -20.226 3.063 71 HB3 LYS 560 HB1 LYS 560 -11.142 -21.500 3.784 72 HG2 LYS 560 HG2 LYS 560 -12.998 -19.946 4.093 73 HG3 LYS 560 HG1 LYS 560 -12.016 -18.605 3.499 74 HD2 LYS 560 HD2 LYS 560 -13.554 -19.428 1.755 75 HD3 LYS 560 HD1 LYS 560 -11.870 -19.658 1.281 76 HE2 LYS 560 HE2 LYS 560 -12.043 -22.058 1.997 77 HE3 LYS 560 HE1 LYS 560 -13.754 -21.801 2.351 78 HZ1 LYS 560 HZ1 LYS 560 -14.147 -21.308 0.048 79 HZ2 LYS 560 HZ2 LYS 560 -13.354 -22.797 0.168 80 HZ3 LYS 560 HZ3 LYS 560 -12.498 -21.418 -0.307 81 H LEU 561 HN LEU 561 -7.865 -20.020 4.556 82 HA LEU 561 HA LEU 561 -7.111 -22.721 5.134 83 HB2 LEU 561 HB2 LEU 561 -5.408 -20.281 4.517 84 HB3 LEU 561 HB1 LEU 561 -4.735 -21.887 4.755 85 HG LEU 561 HG LEU 561 -6.623 -21.066 2.507 86 HD11 LEU 561 HD11 LEU 561 -4.397 -20.127 2.210 87 HD12 LEU 561 HD12 LEU 561 -4.697 -21.395 1.024 88 HD13 LEU 561 HD13 LEU 561 -3.664 -21.719 2.421 89 HD21 LEU 561 HD21 LEU 561 -7.027 -23.394 3.130 90 HD22 LEU 561 HD22 LEU 561 -5.306 -23.756 2.996 91 HD23 LEU 561 HD23 LEU 561 -6.228 -23.301 1.561 92 H LEU 562 HN LEU 562 -6.998 -19.668 6.854 93 HA LEU 562 HA LEU 562 -5.334 -20.407 9.013 94 HB2 LEU 562 HB2 LEU 562 -5.936 -18.055 8.626 95 HB3 LEU 562 HB1 LEU 562 -7.632 -18.411 8.924 96 HG LEU 562 HG LEU 562 -7.043 -19.025 11.299 97 HD11 LEU 562 HD11 LEU 562 -4.689 -19.606 11.022 98 HD12 LEU 562 HD12 LEU 562 -4.889 -18.348 12.237 99 HD13 LEU 562 HD13 LEU 562 -4.297 -17.927 10.628 100 HD21 LEU 562 HD21 LEU 562 -7.948 -16.816 10.795 101 HD22 LEU 562 HD22 LEU 562 -6.322 -16.197 10.500 102 HD23 LEU 562 HD23 LEU 562 -6.781 -16.738 12.114 103 H GLU 563 HN GLU 563 -8.898 -20.397 8.724 104 HA GLU 563 HA GLU 563 -9.399 -21.619 11.244 105 HB2 GLU 563 HB2 GLU 563 -11.216 -21.421 8.814 106 HB3 GLU 563 HB1 GLU 563 -11.727 -21.868 10.446 107 HG2 GLU 563 HG2 GLU 563 -10.807 -19.599 11.189 108 HG3 GLU 563 HG1 GLU 563 -10.698 -19.193 9.476 109 H GLN 564 HN GLN 564 -8.892 -22.890 8.027 110 HA GLN 564 HA GLN 564 -9.530 -25.609 8.421 111 HB2 GLN 564 HB2 GLN 564 -9.098 -24.747 6.186 112 HB3 GLN 564 HB1 GLN 564 -7.479 -24.236 6.642 113 HG2 GLN 564 HG2 GLN 564 -6.846 -26.646 6.929 114 HG3 GLN 564 HG1 GLN 564 -8.442 -27.096 6.324 115 HE21 GLN 564 HE21 GLN 564 -5.357 -25.653 5.502 116 HE22 GLN 564 HE22 GLN 564 -5.515 -25.808 3.789 117 H ALA 565 HN ALA 565 -6.537 -23.767 8.888 118 HA ALA 565 HA ALA 565 -4.942 -25.953 9.824 119 HB1 ALA 565 HB1 ALA 565 -3.237 -24.244 10.224 120 HB2 ALA 565 HB2 ALA 565 -4.436 -22.966 9.994 121 HB3 ALA 565 HB3 ALA 565 -3.991 -24.014 8.646 122 H LEU 566 HN LEU 566 -6.997 -23.576 11.394 123 HA LEU 566 HA LEU 566 -6.157 -24.090 14.099 124 HB2 LEU 566 HB2 LEU 566 -8.713 -22.866 12.986 125 HB3 LEU 566 HB1 LEU 566 -8.317 -22.926 14.698 126 HG LEU 566 HG LEU 566 -6.615 -21.460 12.634 127 HD11 LEU 566 HD11 LEU 566 -8.725 -20.292 14.475 128 HD12 LEU 566 HD12 LEU 566 -8.806 -20.397 12.714 129 HD13 LEU 566 HD13 LEU 566 -7.598 -19.368 13.477 130 HD21 LEU 566 HD21 LEU 566 -5.586 -20.369 14.583 131 HD22 LEU 566 HD22 LEU 566 -5.377 -22.117 14.650 132 HD23 LEU 566 HD23 LEU 566 -6.588 -21.336 15.670 133 H LYS 567 HN LYS 567 -8.388 -25.501 11.829 134 HA LYS 567 HA LYS 567 -9.746 -27.242 13.723 135 HB2 LYS 567 HB2 LYS 567 -10.908 -26.257 11.743 136 HB3 LYS 567 HB1 LYS 567 -9.827 -27.142 10.673 137 HG2 LYS 567 HG2 LYS 567 -10.769 -29.280 11.514 138 HG3 LYS 567 HG1 LYS 567 -11.847 -28.377 12.580 139 HD2 LYS 567 HD2 LYS 567 -13.056 -29.101 10.576 140 HD3 LYS 567 HD1 LYS 567 -12.934 -27.340 10.603 141 HE2 LYS 567 HE2 LYS 567 -11.108 -27.419 8.960 142 HE3 LYS 567 HE1 LYS 567 -11.127 -29.182 8.987 143 HZ1 LYS 567 HZ1 LYS 567 -13.343 -27.439 8.062 144 HZ2 LYS 567 HZ2 LYS 567 -13.363 -29.129 8.091 145 HZ3 LYS 567 HZ3 LYS 567 -12.283 -28.317 7.075 146 H THR 568 HN THR 568 -7.004 -27.402 11.547 147 HA THR 568 HA THR 568 -6.776 -30.306 11.612 148 HB THR 568 HB THR 568 -4.839 -28.238 10.465 149 HG1 THR 568 HG1 THR 568 -7.132 -28.605 9.569 150 HG21 THR 568 HG21 THR 568 -4.995 -31.242 9.967 151 HG22 THR 568 HG22 THR 568 -3.737 -30.424 10.898 152 HG23 THR 568 HG23 THR 568 -3.894 -30.111 9.171 153 H TYR 569 HN TYR 569 -5.105 -27.491 12.992 154 HA TYR 569 HA TYR 569 -3.441 -29.232 14.721 155 HB2 TYR 569 HB2 TYR 569 -2.870 -26.295 14.124 156 HB3 TYR 569 HB1 TYR 569 -1.762 -27.509 14.764 157 HD1 TYR 569 HD2 TYR 569 -1.532 -29.669 13.049 158 HD2 TYR 569 HD1 TYR 569 -2.474 -25.658 11.910 159 HE1 TYR 569 HE2 TYR 569 -0.786 -30.151 10.753 160 HE2 TYR 569 HE1 TYR 569 -1.744 -26.147 9.606 161 HH TYR 569 HH TYR 569 -1.272 -29.262 8.444 162 HA PRO 570 HA PRO 570 -6.260 -27.390 17.874 163 HB2 PRO 570 HB2 PRO 570 -5.604 -29.060 19.935 164 HB3 PRO 570 HB1 PRO 570 -6.678 -29.564 18.620 165 HG2 PRO 570 HG2 PRO 570 -3.727 -30.096 18.970 166 HG3 PRO 570 HG1 PRO 570 -5.019 -31.229 18.510 167 HD2 PRO 570 HD2 PRO 570 -3.371 -30.084 16.662 168 HD3 PRO 570 HD1 PRO 570 -5.064 -30.478 16.296 169 H VAL 571 HN VAL 571 -5.888 -26.480 20.070 170 HA VAL 571 HA VAL 571 -3.682 -24.727 20.168 171 HB VAL 571 HB VAL 571 -5.780 -24.091 21.226 172 HG11 VAL 571 HG11 VAL 571 -5.370 -26.377 23.199 173 HG12 VAL 571 HG12 VAL 571 -6.606 -26.293 21.944 174 HG13 VAL 571 HG13 VAL 571 -6.649 -25.160 23.296 175 HG21 VAL 571 HG21 VAL 571 -3.706 -23.102 22.181 176 HG22 VAL 571 HG22 VAL 571 -3.661 -24.384 23.394 177 HG23 VAL 571 HG23 VAL 571 -4.992 -23.225 23.388 178 H ASN 572 HN ASN 572 -4.201 -27.898 21.578 179 HA ASN 572 HA ASN 572 -2.040 -27.913 23.433 180 HB2 ASN 572 HB2 ASN 572 -3.707 -30.145 22.208 181 HB3 ASN 572 HB1 ASN 572 -2.453 -30.454 23.409 182 HD21 ASN 572 HD21 ASN 572 -5.411 -30.776 23.505 183 HD22 ASN 572 HD22 ASN 572 -5.913 -29.910 24.907 184 H THR 573 HN THR 573 -2.070 -28.293 19.998 185 HA THR 573 HA THR 573 0.469 -29.580 19.724 186 HB THR 573 HB THR 573 -1.028 -27.743 17.796 187 HG1 THR 573 HG1 THR 573 -1.496 -30.235 18.579 188 HG21 THR 573 HG21 THR 573 0.395 -28.719 16.015 189 HG22 THR 573 HG22 THR 573 1.328 -29.592 17.231 190 HG23 THR 573 HG23 THR 573 1.371 -27.827 17.185 191 HA PRO 574 HA PRO 574 2.652 -25.901 21.332 192 HB2 PRO 574 HB2 PRO 574 5.171 -26.920 21.407 193 HB3 PRO 574 HB1 PRO 574 3.923 -27.434 22.554 194 HG2 PRO 574 HG2 PRO 574 4.848 -28.802 20.021 195 HG3 PRO 574 HG1 PRO 574 4.568 -29.506 21.629 196 HD2 PRO 574 HD2 PRO 574 2.729 -29.664 19.619 197 HD3 PRO 574 HD1 PRO 574 2.261 -29.594 21.333 198 H GLU 575 HN GLU 575 3.027 -27.373 18.286 199 HA GLU 575 HA GLU 575 4.744 -25.244 17.172 200 HB2 GLU 575 HB2 GLU 575 3.968 -27.898 15.886 201 HB3 GLU 575 HB1 GLU 575 5.242 -26.795 15.374 202 HG2 GLU 575 HG2 GLU 575 6.525 -27.336 17.406 203 HG3 GLU 575 HG1 GLU 575 5.238 -28.416 17.940 204 H ARG 576 HN ARG 576 1.673 -25.306 17.769 205 HA ARG 576 HA ARG 576 0.078 -25.833 15.586 206 HB2 ARG 576 HB2 ARG 576 -0.713 -25.159 17.939 207 HB3 ARG 576 HB1 ARG 576 -0.463 -23.485 17.461 208 HG2 ARG 576 HG2 ARG 576 -2.081 -23.965 15.501 209 HG3 ARG 576 HG1 ARG 576 -2.470 -25.463 16.346 210 HD2 ARG 576 HD2 ARG 576 -3.044 -23.975 18.373 211 HD3 ARG 576 HD1 ARG 576 -2.962 -22.620 17.236 212 HE ARG 576 HE ARG 576 -4.652 -24.452 16.055 213 HH11 ARG 576 HH11 ARG 576 -4.709 -22.645 19.076 214 HH12 ARG 576 HH12 ARG 576 -6.438 -22.666 19.194 215 HH21 ARG 576 HH21 ARG 576 -6.915 -24.494 16.253 216 HH22 ARG 576 HH22 ARG 576 -7.679 -23.713 17.601 217 H TRP 577 HN TRP 577 1.377 -22.617 16.435 218 HA TRP 577 HA TRP 577 0.314 -21.278 14.152 219 HB2 TRP 577 HB2 TRP 577 2.446 -20.356 16.126 220 HB3 TRP 577 HB1 TRP 577 1.582 -19.318 14.993 221 HD1 TRP 577 HD1 TRP 577 1.345 -20.588 18.487 222 HE1 TRP 577 HE1 TRP 577 -0.964 -20.047 19.485 223 HE3 TRP 577 HE3 TRP 577 -1.093 -19.187 14.207 224 HZ2 TRP 577 HZ2 TRP 577 -3.485 -19.170 18.581 225 HZ3 TRP 577 HZ3 TRP 577 -3.453 -18.518 14.360 226 HH2 TRP 577 HH2 TRP 577 -4.618 -18.511 16.501 227 H LYS 578 HN LYS 578 3.335 -22.913 14.756 228 HA LYS 578 HA LYS 578 4.796 -21.820 12.519 229 HB2 LYS 578 HB2 LYS 578 5.253 -24.330 14.191 230 HB3 LYS 578 HB1 LYS 578 6.312 -23.855 12.872 231 HG2 LYS 578 HG2 LYS 578 7.392 -23.134 14.844 232 HG3 LYS 578 HG1 LYS 578 6.727 -21.676 14.106 233 HD2 LYS 578 HD2 LYS 578 4.831 -21.739 15.711 234 HD3 LYS 578 HD1 LYS 578 5.499 -23.204 16.439 235 HE2 LYS 578 HE2 LYS 578 6.825 -20.466 16.405 236 HE3 LYS 578 HE1 LYS 578 6.032 -21.218 17.787 237 HZ1 LYS 578 HZ1 LYS 578 8.450 -21.431 17.861 238 HZ2 LYS 578 HZ2 LYS 578 8.433 -22.315 16.414 239 HZ3 LYS 578 HZ3 LYS 578 7.692 -22.942 17.799 240 H LYS 579 HN LYS 579 2.673 -24.589 13.044 241 HA LYS 579 HA LYS 579 3.027 -25.725 10.415 242 HB2 LYS 579 HB2 LYS 579 0.842 -26.234 12.481 243 HB3 LYS 579 HB1 LYS 579 1.145 -27.206 11.041 244 HG2 LYS 579 HG2 LYS 579 3.422 -27.754 11.970 245 HG3 LYS 579 HG1 LYS 579 2.969 -26.910 13.456 246 HD2 LYS 579 HD2 LYS 579 1.043 -28.521 13.705 247 HD3 LYS 579 HD1 LYS 579 1.633 -29.386 12.283 248 HE2 LYS 579 HE2 LYS 579 3.056 -29.085 14.952 249 HE3 LYS 579 HE1 LYS 579 2.351 -30.552 14.285 250 HZ1 LYS 579 HZ1 LYS 579 4.595 -29.098 12.994 251 HZ2 LYS 579 HZ2 LYS 579 4.005 -30.637 12.619 252 HZ3 LYS 579 HZ3 LYS 579 4.810 -30.375 14.086 253 H ILE 580 HN ILE 580 0.833 -23.455 11.965 254 HA ILE 580 HA ILE 580 -1.029 -23.108 9.826 255 HB ILE 580 HB ILE 580 -0.324 -21.363 12.227 256 HG12 ILE 580 HG12 ILE 580 -2.759 -23.104 11.654 257 HG13 ILE 580 HG11 ILE 580 -1.436 -23.548 12.716 258 HG21 ILE 580 HG21 ILE 580 -2.345 -20.014 11.790 259 HG22 ILE 580 HG22 ILE 580 -2.597 -20.872 10.269 260 HG23 ILE 580 HG23 ILE 580 -1.170 -19.856 10.482 261 HD11 ILE 580 HD11 ILE 580 -3.386 -21.292 13.138 262 HD12 ILE 580 HD12 ILE 580 -2.057 -21.719 14.220 263 HD13 ILE 580 HD13 ILE 580 -3.381 -22.852 13.956 264 H ALA 581 HN ALA 581 2.092 -21.669 10.607 265 HA ALA 581 HA ALA 581 2.272 -19.568 8.790 266 HB1 ALA 581 HB1 ALA 581 4.019 -20.099 10.474 267 HB2 ALA 581 HB2 ALA 581 4.706 -19.893 8.863 268 HB3 ALA 581 HB3 ALA 581 4.494 -21.516 9.531 269 H GLU 582 HN GLU 582 2.854 -22.993 8.307 270 HA GLU 582 HA GLU 582 3.716 -22.806 5.571 271 HB2 GLU 582 HB2 GLU 582 2.862 -25.223 7.225 272 HB3 GLU 582 HB1 GLU 582 3.768 -25.276 5.710 273 HG2 GLU 582 HG2 GLU 582 5.685 -24.206 6.766 274 HG3 GLU 582 HG1 GLU 582 4.772 -23.945 8.252 275 H ALA 583 HN ALA 583 0.713 -23.477 7.266 276 HA ALA 583 HA ALA 583 -0.792 -24.406 4.996 277 HB1 ALA 583 HB1 ALA 583 -2.709 -24.354 6.541 278 HB2 ALA 583 HB2 ALA 583 -1.740 -23.485 7.736 279 HB3 ALA 583 HB3 ALA 583 -1.314 -25.137 7.287 280 H VAL 584 HN VAL 584 -0.173 -21.274 6.475 281 HA VAL 584 HA VAL 584 -2.018 -19.915 4.587 282 HB VAL 584 HB VAL 584 -1.372 -18.821 7.369 283 HG11 VAL 584 HG11 VAL 584 -3.575 -18.103 5.394 284 HG12 VAL 584 HG12 VAL 584 -2.116 -17.158 5.708 285 HG13 VAL 584 HG13 VAL 584 -3.325 -17.358 6.977 286 HG21 VAL 584 HG21 VAL 584 -3.840 -20.418 6.605 287 HG22 VAL 584 HG22 VAL 584 -3.595 -19.566 8.134 288 HG23 VAL 584 HG23 VAL 584 -2.563 -20.933 7.711 289 HA PRO 585 HA PRO 585 2.250 -18.198 3.818 290 HB2 PRO 585 HB2 PRO 585 1.328 -18.038 0.994 291 HB3 PRO 585 HB1 PRO 585 2.736 -18.870 1.663 292 HG2 PRO 585 HG2 PRO 585 0.601 -20.235 0.714 293 HG3 PRO 585 HG1 PRO 585 1.545 -20.822 2.102 294 HD2 PRO 585 HD2 PRO 585 -1.082 -19.310 2.106 295 HD3 PRO 585 HD1 PRO 585 -0.625 -20.779 3.006 296 H GLY 586 HN GLY 586 2.858 -16.072 3.123 297 HA2 GLY 586 HA2 GLY 586 2.574 -13.826 2.615 298 HA3 GLY 586 HA1 GLY 586 0.848 -14.076 2.430 299 H ARG 587 HN ARG 587 0.441 -15.282 5.026 300 HA ARG 587 HA ARG 587 0.290 -12.839 6.600 301 HB2 ARG 587 HB2 ARG 587 -0.986 -15.575 6.914 302 HB3 ARG 587 HB1 ARG 587 -1.167 -14.302 8.119 303 HG2 ARG 587 HG2 ARG 587 -1.975 -13.944 5.211 304 HG3 ARG 587 HG1 ARG 587 -3.073 -14.557 6.448 305 HD2 ARG 587 HD2 ARG 587 -3.446 -12.170 6.109 306 HD3 ARG 587 HD1 ARG 587 -2.814 -12.446 7.719 307 HE ARG 587 HE ARG 587 -0.938 -11.252 7.189 308 HH11 ARG 587 HH11 ARG 587 -2.712 -11.810 4.209 309 HH12 ARG 587 HH12 ARG 587 -1.734 -10.711 3.290 310 HH21 ARG 587 HH21 ARG 587 0.318 -9.816 5.979 311 HH22 ARG 587 HH22 ARG 587 0.008 -9.622 4.282 312 H THR 588 HN THR 588 1.029 -12.566 8.647 313 HA THR 588 HA THR 588 3.165 -14.380 9.593 314 HB THR 588 HB THR 588 3.884 -12.527 11.073 315 HG1 THR 588 HG1 THR 588 1.798 -11.018 9.871 316 HG21 THR 588 HG21 THR 588 4.653 -10.911 9.372 317 HG22 THR 588 HG22 THR 588 3.485 -11.550 8.214 318 HG23 THR 588 HG23 THR 588 4.823 -12.560 8.771 319 H LYS 589 HN LYS 589 3.249 -14.737 11.978 320 HA LYS 589 HA LYS 589 0.832 -16.092 12.613 321 HB2 LYS 589 HB2 LYS 589 3.489 -15.825 14.016 322 HB3 LYS 589 HB1 LYS 589 2.147 -16.630 14.808 323 HG2 LYS 589 HG2 LYS 589 3.598 -18.281 13.799 324 HG3 LYS 589 HG1 LYS 589 2.040 -18.301 12.979 325 HD2 LYS 589 HD2 LYS 589 4.315 -16.684 11.806 326 HD3 LYS 589 HD1 LYS 589 4.327 -18.433 11.615 327 HE2 LYS 589 HE2 LYS 589 2.218 -18.369 10.395 328 HE3 LYS 589 HE1 LYS 589 2.028 -16.652 10.716 329 HZ1 LYS 589 HZ1 LYS 589 2.833 -17.021 8.494 330 HZ2 LYS 589 HZ2 LYS 589 4.172 -17.874 9.076 331 HZ3 LYS 589 HZ3 LYS 589 4.013 -16.226 9.409 332 H LYS 590 HN LYS 590 2.155 -13.010 13.650 333 HA LYS 590 HA LYS 590 0.521 -12.579 15.924 334 HB2 LYS 590 HB2 LYS 590 1.132 -10.261 15.778 335 HB3 LYS 590 HB1 LYS 590 2.525 -11.150 15.169 336 HG2 LYS 590 HG2 LYS 590 1.731 -10.695 12.833 337 HG3 LYS 590 HG1 LYS 590 0.437 -9.704 13.507 338 HD2 LYS 590 HD2 LYS 590 2.260 -8.277 14.582 339 HD3 LYS 590 HD1 LYS 590 3.427 -9.182 13.608 340 HE2 LYS 590 HE2 LYS 590 1.202 -7.358 12.652 341 HE3 LYS 590 HE1 LYS 590 2.935 -7.190 12.381 342 HZ1 LYS 590 HZ1 LYS 590 1.906 -7.961 10.400 343 HZ2 LYS 590 HZ2 LYS 590 1.136 -9.230 11.197 344 HZ3 LYS 590 HZ3 LYS 590 2.819 -9.237 11.022 345 H ASP 591 HN ASP 591 -0.030 -12.164 12.441 346 HA ASP 591 HA ASP 591 -2.563 -10.824 12.567 347 HB2 ASP 591 HB2 ASP 591 -1.533 -12.607 10.303 348 HB3 ASP 591 HB1 ASP 591 -2.833 -11.423 10.187 349 H CYS 592 HN CYS 592 -1.491 -14.160 12.147 350 HA CYS 592 HA CYS 592 -3.935 -15.476 11.877 351 HB2 CYS 592 HB2 CYS 592 -1.316 -16.507 13.032 352 HB3 CYS 592 HB1 CYS 592 -2.647 -17.520 12.470 353 HG CYS 592 HG CYS 592 -2.161 -17.391 9.922 354 H MET 593 HN MET 593 -2.158 -14.515 14.800 355 HA MET 593 HA MET 593 -3.798 -15.994 16.670 356 HB2 MET 593 HB2 MET 593 -1.766 -13.762 17.105 357 HB3 MET 593 HB1 MET 593 -2.583 -14.598 18.418 358 HG2 MET 593 HG2 MET 593 -1.499 -16.679 17.836 359 HG3 MET 593 HG1 MET 593 -0.814 -15.959 16.380 360 HE1 MET 593 HE1 MET 593 2.535 -16.193 18.242 361 HE2 MET 593 HE2 MET 593 1.759 -16.151 16.657 362 HE3 MET 593 HE3 MET 593 1.293 -17.381 17.842 363 H LYS 594 HN LYS 594 -3.541 -12.576 15.672 364 HA LYS 594 HA LYS 594 -5.549 -11.519 17.376 365 HB2 LYS 594 HB2 LYS 594 -4.309 -10.525 14.788 366 HB3 LYS 594 HB1 LYS 594 -5.582 -9.612 15.596 367 HG2 LYS 594 HG2 LYS 594 -4.195 -9.388 17.601 368 HG3 LYS 594 HG1 LYS 594 -2.922 -10.361 16.855 369 HD2 LYS 594 HD2 LYS 594 -2.494 -8.651 15.191 370 HD3 LYS 594 HD1 LYS 594 -3.909 -7.723 15.695 371 HE2 LYS 594 HE2 LYS 594 -1.830 -6.712 16.538 372 HE3 LYS 594 HE1 LYS 594 -2.847 -7.263 17.869 373 HZ1 LYS 594 HZ1 LYS 594 -1.455 -9.266 18.000 374 HZ2 LYS 594 HZ2 LYS 594 -0.570 -7.850 18.270 375 HZ3 LYS 594 HZ3 LYS 594 -0.456 -8.648 16.785 376 H ARG 595 HN ARG 595 -5.651 -12.824 14.114 377 HA ARG 595 HA ARG 595 -8.379 -12.207 13.565 378 HB2 ARG 595 HB2 ARG 595 -6.527 -12.797 11.860 379 HB3 ARG 595 HB1 ARG 595 -6.778 -14.472 12.312 380 HG2 ARG 595 HG2 ARG 595 -7.996 -14.078 10.285 381 HG3 ARG 595 HG1 ARG 595 -9.191 -14.243 11.580 382 HD2 ARG 595 HD2 ARG 595 -9.354 -11.776 11.716 383 HD3 ARG 595 HD1 ARG 595 -8.177 -11.632 10.406 384 HE ARG 595 HE ARG 595 -9.853 -12.830 8.984 385 HH11 ARG 595 HH11 ARG 595 -10.969 -11.032 11.804 386 HH12 ARG 595 HH12 ARG 595 -12.511 -10.664 11.092 387 HH21 ARG 595 HH21 ARG 595 -11.885 -12.354 8.084 388 HH22 ARG 595 HH22 ARG 595 -13.030 -11.427 8.995 389 H TYR 596 HN TYR 596 -6.651 -15.083 14.776 390 HA TYR 596 HA TYR 596 -8.806 -16.857 15.134 391 HB2 TYR 596 HB2 TYR 596 -6.561 -17.698 15.243 392 HB3 TYR 596 HB1 TYR 596 -6.129 -16.605 16.550 393 HD1 TYR 596 HD2 TYR 596 -8.787 -19.230 15.979 394 HD2 TYR 596 HD1 TYR 596 -5.776 -17.712 18.593 395 HE1 TYR 596 HE2 TYR 596 -9.263 -21.029 17.565 396 HE2 TYR 596 HE1 TYR 596 -6.254 -19.517 20.195 397 HH TYR 596 HH TYR 596 -8.147 -21.076 20.737 398 H LYS 597 HN LYS 597 -7.524 -14.319 17.242 399 HA LYS 597 HA LYS 597 -9.034 -14.917 19.563 400 HB2 LYS 597 HB2 LYS 597 -6.995 -13.409 19.463 401 HB3 LYS 597 HB1 LYS 597 -7.993 -12.175 18.712 402 HG2 LYS 597 HG2 LYS 597 -8.676 -13.299 21.454 403 HG3 LYS 597 HG1 LYS 597 -7.484 -12.014 21.265 404 HD2 LYS 597 HD2 LYS 597 -9.206 -10.572 20.214 405 HD3 LYS 597 HD1 LYS 597 -10.401 -11.856 20.395 406 HE2 LYS 597 HE2 LYS 597 -10.674 -10.182 22.157 407 HE3 LYS 597 HE1 LYS 597 -10.166 -11.720 22.855 408 HZ1 LYS 597 HZ1 LYS 597 -8.334 -9.463 22.263 409 HZ2 LYS 597 HZ2 LYS 597 -7.949 -10.896 23.078 410 HZ3 LYS 597 HZ3 LYS 597 -9.007 -9.778 23.781 411 H GLU 598 HN GLU 598 -9.663 -12.783 16.752 412 HA GLU 598 HA GLU 598 -12.249 -11.890 17.483 413 HB2 GLU 598 HB2 GLU 598 -11.174 -12.438 14.676 414 HB3 GLU 598 HB1 GLU 598 -12.618 -11.497 15.056 415 HG2 GLU 598 HG2 GLU 598 -11.240 -9.836 16.218 416 HG3 GLU 598 HG1 GLU 598 -9.793 -10.784 15.880 417 H LEU 599 HN LEU 599 -11.206 -14.724 15.581 418 HA LEU 599 HA LEU 599 -13.699 -15.681 14.779 419 HB2 LEU 599 HB2 LEU 599 -11.139 -17.248 15.253 420 HB3 LEU 599 HB1 LEU 599 -12.538 -17.863 14.380 421 HG LEU 599 HG LEU 599 -10.909 -15.447 13.500 422 HD11 LEU 599 HD11 LEU 599 -9.500 -17.404 13.361 423 HD12 LEU 599 HD12 LEU 599 -9.959 -16.879 11.744 424 HD13 LEU 599 HD13 LEU 599 -10.745 -18.283 12.471 425 HD21 LEU 599 HD21 LEU 599 -13.051 -16.982 12.007 426 HD22 LEU 599 HD22 LEU 599 -12.086 -15.648 11.367 427 HD23 LEU 599 HD23 LEU 599 -13.211 -15.360 12.690 428 H VAL 600 HN VAL 600 -11.753 -16.632 17.628 429 HA VAL 600 HA VAL 600 -13.563 -18.634 18.518 430 HB VAL 600 HB VAL 600 -11.160 -18.721 19.124 431 HG11 VAL 600 HG11 VAL 600 -10.216 -17.329 20.944 432 HG12 VAL 600 HG12 VAL 600 -11.704 -16.381 20.990 433 HG13 VAL 600 HG13 VAL 600 -10.683 -16.347 19.551 434 HG21 VAL 600 HG21 VAL 600 -11.432 -19.470 21.465 435 HG22 VAL 600 HG22 VAL 600 -12.780 -20.008 20.461 436 HG23 VAL 600 HG23 VAL 600 -12.990 -18.637 21.551 437 H GLU 601 HN GLU 601 -13.054 -15.208 19.456 438 HA GLU 601 HA GLU 601 -14.947 -15.229 21.602 439 HB2 GLU 601 HB2 GLU 601 -13.817 -12.864 20.047 440 HB3 GLU 601 HB1 GLU 601 -14.799 -12.720 21.506 441 HG2 GLU 601 HG2 GLU 601 -12.038 -13.951 21.275 442 HG3 GLU 601 HG1 GLU 601 -12.452 -12.425 22.041 443 H MET 602 HN MET 602 -15.236 -14.698 18.137 444 HA MET 602 HA MET 602 -17.895 -13.621 18.200 445 HB2 MET 602 HB2 MET 602 -16.275 -14.846 15.940 446 HB3 MET 602 HB1 MET 602 -17.937 -14.316 15.715 447 HG2 MET 602 HG2 MET 602 -17.238 -12.015 16.427 448 HG3 MET 602 HG1 MET 602 -15.570 -12.581 16.469 449 HE1 MET 602 HE1 MET 602 -15.611 -14.566 13.831 450 HE2 MET 602 HE2 MET 602 -14.280 -13.483 14.250 451 HE3 MET 602 HE3 MET 602 -14.983 -13.433 12.633 452 H VAL 603 HN VAL 603 -16.529 -16.895 17.666 453 HA VAL 603 HA VAL 603 -18.945 -18.299 17.350 454 HB VAL 603 HB VAL 603 -16.312 -19.284 18.552 455 HG11 VAL 603 HG11 VAL 603 -17.124 -21.595 18.089 456 HG12 VAL 603 HG12 VAL 603 -18.703 -20.944 17.643 457 HG13 VAL 603 HG13 VAL 603 -18.119 -20.778 19.299 458 HG21 VAL 603 HG21 VAL 603 -15.905 -20.289 16.335 459 HG22 VAL 603 HG22 VAL 603 -16.135 -18.547 16.188 460 HG23 VAL 603 HG23 VAL 603 -17.441 -19.645 15.744 461 H LYS 604 HN LYS 604 -17.185 -17.348 20.281 462 HA LYS 604 HA LYS 604 -18.786 -18.662 22.217 463 HB2 LYS 604 HB2 LYS 604 -17.033 -16.179 22.399 464 HB3 LYS 604 HB1 LYS 604 -17.805 -16.908 23.805 465 HG2 LYS 604 HG2 LYS 604 -16.506 -18.921 23.566 466 HG3 LYS 604 HG1 LYS 604 -15.874 -18.396 22.006 467 HD2 LYS 604 HD2 LYS 604 -14.212 -18.144 23.829 468 HD3 LYS 604 HD1 LYS 604 -14.602 -16.605 23.058 469 HE2 LYS 604 HE2 LYS 604 -16.089 -16.031 24.948 470 HE3 LYS 604 HE1 LYS 604 -15.723 -17.579 25.718 471 HZ1 LYS 604 HZ1 LYS 604 -14.413 -15.771 26.638 472 HZ2 LYS 604 HZ2 LYS 604 -13.749 -15.442 25.112 473 HZ3 LYS 604 HZ3 LYS 604 -13.417 -16.912 25.883 474 H ALA 605 HN ALA 605 -18.883 -15.336 20.943 475 HA ALA 605 HA ALA 605 -20.885 -14.375 22.728 476 HB1 ALA 605 HB1 ALA 605 -20.866 -12.353 21.331 477 HB2 ALA 605 HB2 ALA 605 -19.949 -13.207 20.086 478 HB3 ALA 605 HB3 ALA 605 -19.222 -12.899 21.665 479 H LYS 606 HN LYS 606 -20.988 -15.207 19.267 480 HA LYS 606 HA LYS 606 -23.713 -14.812 18.745 481 HB2 LYS 606 HB2 LYS 606 -21.692 -16.703 17.471 482 HB3 LYS 606 HB1 LYS 606 -23.307 -16.447 16.811 483 HG2 LYS 606 HG2 LYS 606 -22.823 -14.191 16.222 484 HG3 LYS 606 HG1 LYS 606 -21.373 -14.154 17.225 485 HD2 LYS 606 HD2 LYS 606 -20.814 -14.292 14.816 486 HD3 LYS 606 HD1 LYS 606 -20.222 -15.688 15.715 487 HE2 LYS 606 HE2 LYS 606 -22.163 -17.020 14.884 488 HE3 LYS 606 HE1 LYS 606 -22.702 -15.623 13.947 489 HZ1 LYS 606 HZ1 LYS 606 -20.103 -17.020 13.623 490 HZ2 LYS 606 HZ2 LYS 606 -20.636 -15.709 12.705 491 HZ3 LYS 606 HZ3 LYS 606 -21.442 -17.197 12.606 492 H LYS 607 HN LYS 607 -21.982 -17.702 19.864 493 HA LYS 607 HA LYS 607 -24.136 -19.536 19.706 494 HB2 LYS 607 HB2 LYS 607 -21.759 -20.204 19.825 495 HB3 LYS 607 HB1 LYS 607 -21.663 -19.606 21.475 496 HG2 LYS 607 HG2 LYS 607 -23.300 -21.340 22.179 497 HG3 LYS 607 HG1 LYS 607 -23.342 -21.948 20.518 498 HD2 LYS 607 HD2 LYS 607 -20.909 -21.880 22.353 499 HD3 LYS 607 HD1 LYS 607 -21.842 -23.314 21.921 500 HE2 LYS 607 HE2 LYS 607 -21.159 -23.032 19.550 501 HE3 LYS 607 HE1 LYS 607 -20.223 -21.602 19.993 502 HZ1 LYS 607 HZ1 LYS 607 -19.748 -24.344 21.016 503 HZ2 LYS 607 HZ2 LYS 607 -18.816 -22.980 21.367 504 HZ3 LYS 607 HZ3 LYS 607 -18.858 -23.594 19.791 505 H ALA 608 HN ALA 608 -22.783 -17.744 22.490 506 HA ALA 608 HA ALA 608 -24.564 -18.717 24.455 507 HB1 ALA 608 HB1 ALA 608 -22.412 -17.657 25.019 508 HB2 ALA 608 HB2 ALA 608 -23.748 -16.863 25.857 509 HB3 ALA 608 HB3 ALA 608 -23.013 -16.103 24.440 510 H ALA 609 HN ALA 609 -24.668 -15.872 22.350 511 HA ALA 609 HA ALA 609 -26.986 -14.638 23.436 512 HB1 ALA 609 HB1 ALA 609 -25.351 -13.420 22.067 513 HB2 ALA 609 HB2 ALA 609 -26.977 -13.267 21.399 514 HB3 ALA 609 HB3 ALA 609 -25.810 -14.366 20.653 515 H GLN 610 HN GLN 610 -26.526 -17.138 20.990 516 HA GLN 610 HA GLN 610 -29.327 -17.156 20.169 517 HB2 GLN 610 HB2 GLN 610 -27.503 -17.600 18.519 518 HB3 GLN 610 HB1 GLN 610 -27.037 -19.036 19.418 519 HG2 GLN 610 HG2 GLN 610 -28.319 -19.629 17.426 520 HG3 GLN 610 HG1 GLN 610 -29.195 -20.085 18.885 521 HE21 GLN 610 HE21 GLN 610 -31.172 -20.131 17.767 522 HE22 GLN 610 HE22 GLN 610 -31.986 -18.696 17.266 523 H GLU 611 HN GLU 611 -27.267 -18.811 22.444 524 HA GLU 611 HA GLU 611 -28.835 -21.215 22.720 525 HB2 GLU 611 HB2 GLU 611 -26.451 -21.347 23.156 526 HB3 GLU 611 HB1 GLU 611 -26.534 -20.067 24.359 527 HG2 GLU 611 HG2 GLU 611 -27.803 -21.525 25.868 528 HG3 GLU 611 HG1 GLU 611 -27.835 -22.794 24.644 529 H GLN 612 HN GLN 612 -28.461 -18.203 24.536 530 HA GLN 612 HA GLN 612 -30.125 -18.859 26.736 531 HB2 GLN 612 HB2 GLN 612 -30.086 -16.460 27.248 532 HB3 GLN 612 HB1 GLN 612 -28.482 -17.029 26.797 533 HG2 GLN 612 HG2 GLN 612 -28.961 -16.117 24.454 534 HG3 GLN 612 HG1 GLN 612 -30.379 -15.336 25.150 535 HE21 GLN 612 HE21 GLN 612 -29.601 -13.263 24.702 536 HE22 GLN 612 HE22 GLN 612 -28.269 -12.560 25.545 537 H VAL 613 HN VAL 613 -30.793 -17.680 23.534 538 HA VAL 613 HA VAL 613 -33.608 -17.089 23.973 539 HB VAL 613 HB VAL 613 -31.953 -17.254 21.406 540 HG11 VAL 613 HG11 VAL 613 -34.766 -16.141 21.766 541 HG12 VAL 613 HG12 VAL 613 -34.336 -17.606 20.881 542 HG13 VAL 613 HG13 VAL 613 -33.798 -16.033 20.292 543 HG21 VAL 613 HG21 VAL 613 -31.971 -14.781 21.460 544 HG22 VAL 613 HG22 VAL 613 -31.206 -15.440 22.906 545 HG23 VAL 613 HG23 VAL 613 -32.854 -14.810 22.991 546 H LEU 614 HN LEU 614 -31.650 -19.708 22.617 547 HA LEU 614 HA LEU 614 -33.657 -21.349 21.471 548 HB2 LEU 614 HB2 LEU 614 -31.153 -21.506 21.106 549 HB3 LEU 614 HB1 LEU 614 -30.981 -22.186 22.708 550 HG LEU 614 HG LEU 614 -32.530 -23.571 20.462 551 HD11 LEU 614 HD11 LEU 614 -29.626 -24.007 21.272 552 HD12 LEU 614 HD12 LEU 614 -30.188 -23.280 19.764 553 HD13 LEU 614 HD13 LEU 614 -30.534 -24.973 20.100 554 HD21 LEU 614 HD21 LEU 614 -33.117 -24.428 22.693 555 HD22 LEU 614 HD22 LEU 614 -31.413 -24.694 23.063 556 HD23 LEU 614 HD23 LEU 614 -32.200 -25.632 21.789 557 H ASN 615 HN ASN 615 -32.013 -21.506 24.581 558 HA ASN 615 HA ASN 615 -33.384 -23.657 25.733 559 HB2 ASN 615 HB2 ASN 615 -31.175 -22.879 26.499 560 HB3 ASN 615 HB1 ASN 615 -31.869 -21.355 27.031 561 HD21 ASN 615 HD21 ASN 615 -31.073 -21.673 29.135 562 HD22 ASN 615 HD22 ASN 615 -31.772 -22.818 30.221 563 H ALA 616 HN ALA 616 -34.000 -20.180 25.793 564 HA ALA 616 HA ALA 616 -36.120 -20.209 27.716 565 HB1 ALA 616 HB1 ALA 616 -34.771 -18.191 27.274 566 HB2 ALA 616 HB2 ALA 616 -36.491 -17.877 27.027 567 HB3 ALA 616 HB3 ALA 616 -35.425 -18.109 25.637 568 H SER 617 HN SER 617 -35.955 -20.567 24.214 569 HA SER 617 HA SER 617 -38.704 -20.026 23.624 570 HB2 SER 617 HB2 SER 617 -36.860 -19.777 21.963 571 HB3 SER 617 HB1 SER 617 -36.637 -21.527 21.958 572 HG SER 617 HG SER 617 -38.431 -20.021 20.610 573 H ARG 618 HN ARG 618 -36.808 -23.040 23.985 574 HA ARG 618 HA ARG 618 -39.122 -24.751 23.643 575 HB2 ARG 618 HB2 ARG 618 -37.524 -26.622 24.033 576 HB3 ARG 618 HB1 ARG 618 -37.016 -25.534 22.757 577 HG2 ARG 618 HG2 ARG 618 -35.006 -25.933 23.844 578 HG3 ARG 618 HG1 ARG 618 -35.518 -24.429 24.608 579 HD2 ARG 618 HD2 ARG 618 -36.418 -25.761 26.512 580 HD3 ARG 618 HD1 ARG 618 -35.808 -27.228 25.742 581 HE ARG 618 HE ARG 618 -34.177 -25.034 26.870 582 HH11 ARG 618 HH11 ARG 618 -34.356 -28.371 25.736 583 HH12 ARG 618 HH12 ARG 618 -32.788 -28.778 26.352 584 HH21 ARG 618 HH21 ARG 618 -32.154 -25.602 27.693 585 HH22 ARG 618 HH22 ARG 618 -31.544 -27.207 27.469 586 H ALA 619 HN ALA 619 -37.850 -23.001 26.221 587 HA ALA 619 HA ALA 619 -38.759 -24.697 28.388 588 HB1 ALA 619 HB1 ALA 619 -36.906 -23.129 28.769 589 HB2 ALA 619 HB2 ALA 619 -38.262 -22.744 29.827 590 HB3 ALA 619 HB3 ALA 619 -37.955 -21.757 28.394 591 H LYS 620 HN LYS 620 -40.737 -24.691 29.316 592 HA LYS 620 HA LYS 620 -42.537 -22.422 29.076 593 HB2 LYS 620 HB2 LYS 620 -44.493 -23.785 28.381 594 HB3 LYS 620 HB1 LYS 620 -43.258 -23.713 27.139 595 HG2 LYS 620 HG2 LYS 620 -43.601 -26.101 28.984 596 HG3 LYS 620 HG1 LYS 620 -44.443 -25.945 27.441 597 HD2 LYS 620 HD2 LYS 620 -42.226 -25.818 26.287 598 HD3 LYS 620 HD1 LYS 620 -41.423 -26.059 27.840 599 HE2 LYS 620 HE2 LYS 620 -43.285 -28.027 26.458 600 HE3 LYS 620 HE1 LYS 620 -41.530 -28.162 26.575 601 HZ1 LYS 620 HZ1 LYS 620 -42.608 -29.556 28.201 602 HZ2 LYS 620 HZ2 LYS 620 -43.450 -28.240 28.840 603 HZ3 LYS 620 HZ3 LYS 620 -41.767 -28.319 28.991 604 H LYS 621 HN LYS 621 -43.259 -21.986 31.016 605 HA LYS 621 HA LYS 621 -43.877 -22.034 33.157 606 HB2 LYS 621 HB2 LYS 621 -44.593 -24.953 32.640 607 HB3 LYS 621 HB1 LYS 621 -45.103 -24.015 34.040 608 HG2 LYS 621 HG2 LYS 621 -46.427 -22.528 32.633 609 HG3 LYS 621 HG1 LYS 621 -45.838 -23.327 31.170 610 HD2 LYS 621 HD2 LYS 621 -47.522 -24.646 33.344 611 HD3 LYS 621 HD1 LYS 621 -48.142 -24.050 31.802 612 HE2 LYS 621 HE2 LYS 621 -46.776 -25.699 30.591 613 HE3 LYS 621 HE1 LYS 621 -46.061 -26.248 32.108 614 HZ1 LYS 621 HZ1 LYS 621 -48.258 -26.964 32.831 615 HZ2 LYS 621 HZ2 LYS 621 -47.796 -27.733 31.400 616 HZ3 LYS 621 HZ3 LYS 621 -48.921 -26.472 31.355 Start of MODEL 10 1 H PHE 551 HN PHE 551 -1.306 -1.334 3.351 2 HA PHE 551 HA PHE 551 -0.619 -3.958 4.035 3 HB2 PHE 551 HB2 PHE 551 -1.186 -2.426 5.797 4 HB3 PHE 551 HB1 PHE 551 -2.758 -2.075 5.101 5 HD1 PHE 551 HD1 PHE 551 -0.819 -4.883 6.700 6 HD2 PHE 551 HD2 PHE 551 -4.669 -3.207 5.921 7 HE1 PHE 551 HE1 PHE 551 -1.842 -6.542 8.197 8 HE2 PHE 551 HE2 PHE 551 -5.680 -4.877 7.409 9 HZ PHE 551 HZ PHE 551 -4.275 -6.541 8.549 10 H THR 552 HN THR 552 -1.268 -5.785 3.110 11 HA THR 552 HA THR 552 -3.917 -6.104 1.924 12 HB THR 552 HB THR 552 -3.040 -8.421 1.342 13 HG1 THR 552 HG1 THR 552 -1.435 -8.650 2.928 14 HG21 THR 552 HG21 THR 552 -2.904 -6.569 -0.282 15 HG22 THR 552 HG22 THR 552 -1.518 -7.653 -0.432 16 HG23 THR 552 HG23 THR 552 -1.334 -6.101 0.386 17 HA PRO 553 HA PRO 553 -5.078 -7.726 6.070 18 HB2 PRO 553 HB2 PRO 553 -7.777 -7.515 5.799 19 HB3 PRO 553 HB1 PRO 553 -6.760 -6.087 6.048 20 HG2 PRO 553 HG2 PRO 553 -7.891 -7.173 3.471 21 HG3 PRO 553 HG1 PRO 553 -7.871 -5.498 4.057 22 HD2 PRO 553 HD2 PRO 553 -6.038 -6.471 2.255 23 HD3 PRO 553 HD1 PRO 553 -5.661 -5.162 3.402 24 H TRP 554 HN TRP 554 -7.003 -9.473 6.594 25 HA TRP 554 HA TRP 554 -6.282 -11.878 5.278 26 HB2 TRP 554 HB2 TRP 554 -8.465 -11.188 7.270 27 HB3 TRP 554 HB1 TRP 554 -8.317 -12.812 6.601 28 HD1 TRP 554 HD1 TRP 554 -6.689 -10.505 9.171 29 HE1 TRP 554 HE1 TRP 554 -4.849 -11.812 10.408 30 HE3 TRP 554 HE3 TRP 554 -6.544 -14.685 6.238 31 HZ2 TRP 554 HZ2 TRP 554 -3.491 -14.267 10.141 32 HZ3 TRP 554 HZ3 TRP 554 -4.947 -16.467 6.790 33 HH2 TRP 554 HH2 TRP 554 -3.450 -16.263 8.707 34 H THR 555 HN THR 555 -6.697 -12.145 3.218 35 HA THR 555 HA THR 555 -9.097 -11.348 1.848 36 HB THR 555 HB THR 555 -8.136 -12.553 -0.086 37 HG1 THR 555 HG1 THR 555 -5.943 -13.527 0.377 38 HG21 THR 555 HG21 THR 555 -5.991 -10.976 1.404 39 HG22 THR 555 HG22 THR 555 -7.230 -10.292 0.347 40 HG23 THR 555 HG23 THR 555 -5.988 -11.349 -0.323 41 H THR 556 HN THR 556 -10.339 -13.120 0.575 42 HA THR 556 HA THR 556 -11.652 -14.865 2.332 43 HB THR 556 HB THR 556 -11.546 -15.107 -0.709 44 HG1 THR 556 HG1 THR 556 -13.162 -13.584 -0.745 45 HG21 THR 556 HG21 THR 556 -13.843 -16.008 -0.477 46 HG22 THR 556 HG22 THR 556 -13.716 -15.899 1.279 47 HG23 THR 556 HG23 THR 556 -12.680 -17.015 0.387 48 H GLU 557 HN GLU 557 -9.125 -15.474 -0.090 49 HA GLU 557 HA GLU 557 -9.009 -18.300 0.220 50 HB2 GLU 557 HB2 GLU 557 -6.879 -18.107 -1.112 51 HB3 GLU 557 HB1 GLU 557 -8.279 -17.333 -1.848 52 HG2 GLU 557 HG2 GLU 557 -7.455 -15.137 -0.975 53 HG3 GLU 557 HG1 GLU 557 -6.012 -15.945 -0.390 54 H GLU 558 HN GLU 558 -6.869 -15.700 1.526 55 HA GLU 558 HA GLU 558 -5.070 -17.362 2.900 56 HB2 GLU 558 HB2 GLU 558 -5.772 -14.444 3.059 57 HB3 GLU 558 HB1 GLU 558 -4.950 -15.110 4.459 58 HG2 GLU 558 HG2 GLU 558 -3.290 -14.139 3.079 59 HG3 GLU 558 HG1 GLU 558 -3.100 -15.881 2.948 60 H GLN 559 HN GLN 559 -8.168 -15.978 3.911 61 HA GLN 559 HA GLN 559 -7.803 -16.646 6.669 62 HB2 GLN 559 HB2 GLN 559 -9.264 -14.747 5.720 63 HB3 GLN 559 HB1 GLN 559 -10.472 -15.986 5.415 64 HG2 GLN 559 HG2 GLN 559 -10.395 -16.558 7.881 65 HG3 GLN 559 HG1 GLN 559 -9.342 -15.156 8.110 66 HE21 GLN 559 HE21 GLN 559 -12.574 -16.241 7.674 67 HE22 GLN 559 HE22 GLN 559 -13.338 -14.698 7.839 68 H LYS 560 HN LYS 560 -9.446 -18.215 3.921 69 HA LYS 560 HA LYS 560 -10.746 -20.255 5.439 70 HB2 LYS 560 HB2 LYS 560 -9.954 -20.136 2.510 71 HB3 LYS 560 HB1 LYS 560 -10.778 -21.532 3.203 72 HG2 LYS 560 HG2 LYS 560 -12.667 -20.050 3.870 73 HG3 LYS 560 HG1 LYS 560 -11.857 -18.693 3.078 74 HD2 LYS 560 HD2 LYS 560 -11.987 -19.890 0.909 75 HD3 LYS 560 HD1 LYS 560 -12.779 -21.251 1.708 76 HE2 LYS 560 HE2 LYS 560 -13.890 -18.433 1.476 77 HE3 LYS 560 HE1 LYS 560 -14.419 -19.838 0.548 78 HZ1 LYS 560 HZ1 LYS 560 -14.618 -19.574 3.503 79 HZ2 LYS 560 HZ2 LYS 560 -15.182 -20.870 2.576 80 HZ3 LYS 560 HZ3 LYS 560 -15.888 -19.344 2.415 81 H LEU 561 HN LEU 561 -7.529 -19.993 3.993 82 HA LEU 561 HA LEU 561 -6.542 -22.579 4.508 83 HB2 LEU 561 HB2 LEU 561 -5.065 -19.919 4.568 84 HB3 LEU 561 HB1 LEU 561 -4.267 -21.484 4.592 85 HG LEU 561 HG LEU 561 -5.942 -20.389 2.298 86 HD11 LEU 561 HD11 LEU 561 -3.825 -20.199 1.076 87 HD12 LEU 561 HD12 LEU 561 -2.934 -20.716 2.510 88 HD13 LEU 561 HD13 LEU 561 -3.825 -19.192 2.524 89 HD21 LEU 561 HD21 LEU 561 -6.112 -22.830 2.414 90 HD22 LEU 561 HD22 LEU 561 -4.353 -22.974 2.450 91 HD23 LEU 561 HD23 LEU 561 -5.160 -22.334 1.016 92 H LEU 562 HN LEU 562 -6.726 -19.664 6.526 93 HA LEU 562 HA LEU 562 -5.405 -20.704 8.818 94 HB2 LEU 562 HB2 LEU 562 -5.628 -18.280 8.428 95 HB3 LEU 562 HB1 LEU 562 -7.374 -18.399 8.569 96 HG LEU 562 HG LEU 562 -7.099 -19.104 10.970 97 HD11 LEU 562 HD11 LEU 562 -4.853 -20.042 10.884 98 HD12 LEU 562 HD12 LEU 562 -4.954 -18.775 12.101 99 HD13 LEU 562 HD13 LEU 562 -4.170 -18.445 10.555 100 HD21 LEU 562 HD21 LEU 562 -6.582 -16.885 11.852 101 HD22 LEU 562 HD22 LEU 562 -7.608 -16.772 10.424 102 HD23 LEU 562 HD23 LEU 562 -5.883 -16.410 10.302 103 H GLU 563 HN GLU 563 -8.849 -20.365 7.988 104 HA GLU 563 HA GLU 563 -10.031 -21.250 10.362 105 HB2 GLU 563 HB2 GLU 563 -11.028 -21.350 7.490 106 HB3 GLU 563 HB1 GLU 563 -12.044 -21.767 8.866 107 HG2 GLU 563 HG2 GLU 563 -11.965 -19.518 9.713 108 HG3 GLU 563 HG1 GLU 563 -10.703 -19.061 8.572 109 H GLN 564 HN GLN 564 -8.816 -23.050 7.582 110 HA GLN 564 HA GLN 564 -9.587 -25.647 8.541 111 HB2 GLN 564 HB2 GLN 564 -9.215 -25.230 6.127 112 HB3 GLN 564 HB1 GLN 564 -7.523 -24.862 6.443 113 HG2 GLN 564 HG2 GLN 564 -7.770 -27.111 5.521 114 HG3 GLN 564 HG1 GLN 564 -7.130 -27.181 7.159 115 HE21 GLN 564 HE21 GLN 564 -8.415 -28.079 8.813 116 HE22 GLN 564 HE22 GLN 564 -9.847 -28.993 8.481 117 H ALA 565 HN ALA 565 -6.624 -23.681 8.619 118 HA ALA 565 HA ALA 565 -4.813 -25.620 9.575 119 HB1 ALA 565 HB1 ALA 565 -4.147 -23.504 8.491 120 HB2 ALA 565 HB2 ALA 565 -3.318 -23.742 10.029 121 HB3 ALA 565 HB3 ALA 565 -4.671 -22.610 9.919 122 H LEU 566 HN LEU 566 -7.040 -23.546 11.278 123 HA LEU 566 HA LEU 566 -6.007 -23.836 13.923 124 HB2 LEU 566 HB2 LEU 566 -8.788 -23.107 12.929 125 HB3 LEU 566 HB1 LEU 566 -8.241 -22.919 14.592 126 HG LEU 566 HG LEU 566 -6.939 -21.492 12.238 127 HD11 LEU 566 HD11 LEU 566 -9.067 -20.396 14.090 128 HD12 LEU 566 HD12 LEU 566 -9.232 -20.721 12.363 129 HD13 LEU 566 HD13 LEU 566 -8.137 -19.458 12.918 130 HD21 LEU 566 HD21 LEU 566 -6.704 -21.015 15.223 131 HD22 LEU 566 HD22 LEU 566 -5.935 -20.057 13.955 132 HD23 LEU 566 HD23 LEU 566 -5.479 -21.743 14.179 133 H LYS 567 HN LYS 567 -8.209 -25.677 11.922 134 HA LYS 567 HA LYS 567 -9.046 -27.471 14.073 135 HB2 LYS 567 HB2 LYS 567 -9.736 -27.516 11.102 136 HB3 LYS 567 HB1 LYS 567 -10.542 -28.433 12.377 137 HG2 LYS 567 HG2 LYS 567 -11.249 -26.249 13.410 138 HG3 LYS 567 HG1 LYS 567 -10.548 -25.416 12.022 139 HD2 LYS 567 HD2 LYS 567 -12.960 -25.624 11.723 140 HD3 LYS 567 HD1 LYS 567 -12.128 -26.620 10.524 141 HE2 LYS 567 HE2 LYS 567 -14.094 -27.775 11.519 142 HE3 LYS 567 HE1 LYS 567 -12.588 -28.637 11.840 143 HZ1 LYS 567 HZ1 LYS 567 -13.916 -26.791 13.752 144 HZ2 LYS 567 HZ2 LYS 567 -12.554 -27.749 14.058 145 HZ3 LYS 567 HZ3 LYS 567 -14.058 -28.476 13.784 146 H THR 568 HN THR 568 -6.801 -27.341 11.426 147 HA THR 568 HA THR 568 -6.258 -30.149 11.144 148 HB THR 568 HB THR 568 -4.710 -27.704 10.174 149 HG1 THR 568 HG1 THR 568 -5.860 -27.936 8.325 150 HG21 THR 568 HG21 THR 568 -4.432 -30.603 9.310 151 HG22 THR 568 HG22 THR 568 -3.225 -29.674 10.202 152 HG23 THR 568 HG23 THR 568 -3.635 -29.225 8.544 153 H TYR 569 HN TYR 569 -4.731 -27.403 12.759 154 HA TYR 569 HA TYR 569 -2.868 -29.196 14.199 155 HB2 TYR 569 HB2 TYR 569 -2.602 -26.174 13.891 156 HB3 TYR 569 HB1 TYR 569 -1.379 -27.307 14.472 157 HD1 TYR 569 HD2 TYR 569 -0.835 -29.291 12.672 158 HD2 TYR 569 HD1 TYR 569 -2.350 -25.417 11.695 159 HE1 TYR 569 HE2 TYR 569 -0.016 -29.557 10.370 160 HE2 TYR 569 HE1 TYR 569 -1.551 -25.697 9.386 161 HH TYR 569 HH TYR 569 0.242 -27.039 8.206 162 HA PRO 570 HA PRO 570 -5.953 -28.310 17.457 163 HB2 PRO 570 HB2 PRO 570 -4.756 -29.965 19.358 164 HB3 PRO 570 HB1 PRO 570 -5.897 -30.510 18.125 165 HG2 PRO 570 HG2 PRO 570 -2.890 -30.609 18.100 166 HG3 PRO 570 HG1 PRO 570 -4.055 -31.858 17.609 167 HD2 PRO 570 HD2 PRO 570 -2.804 -30.340 15.783 168 HD3 PRO 570 HD1 PRO 570 -4.502 -30.811 15.555 169 H VAL 571 HN VAL 571 -5.972 -27.261 19.477 170 HA VAL 571 HA VAL 571 -4.134 -25.141 19.763 171 HB VAL 571 HB VAL 571 -6.474 -24.873 20.410 172 HG11 VAL 571 HG11 VAL 571 -7.438 -25.892 22.450 173 HG12 VAL 571 HG12 VAL 571 -5.956 -26.820 22.687 174 HG13 VAL 571 HG13 VAL 571 -6.964 -27.120 21.271 175 HG21 VAL 571 HG21 VAL 571 -6.203 -23.676 22.553 176 HG22 VAL 571 HG22 VAL 571 -4.832 -23.371 21.485 177 HG23 VAL 571 HG23 VAL 571 -4.667 -24.501 22.829 178 H ASN 572 HN ASN 572 -4.345 -28.273 21.348 179 HA ASN 572 HA ASN 572 -2.471 -27.704 23.465 180 HB2 ASN 572 HB2 ASN 572 -3.709 -30.312 22.500 181 HB3 ASN 572 HB1 ASN 572 -2.618 -30.214 23.882 182 HD21 ASN 572 HD21 ASN 572 -5.468 -30.988 23.707 183 HD22 ASN 572 HD22 ASN 572 -6.277 -29.979 24.852 184 H THR 573 HN THR 573 -1.990 -28.182 20.185 185 HA THR 573 HA THR 573 0.740 -29.168 20.411 186 HB THR 573 HB THR 573 -0.671 -27.832 18.050 187 HG1 THR 573 HG1 THR 573 -1.019 -30.243 19.095 188 HG21 THR 573 HG21 THR 573 1.904 -29.448 18.133 189 HG22 THR 573 HG22 THR 573 1.788 -27.712 17.839 190 HG23 THR 573 HG23 THR 573 1.116 -28.848 16.670 191 HA PRO 574 HA PRO 574 2.020 -24.866 21.558 192 HB2 PRO 574 HB2 PRO 574 4.628 -25.488 22.168 193 HB3 PRO 574 HB1 PRO 574 3.286 -25.750 23.291 194 HG2 PRO 574 HG2 PRO 574 4.599 -27.732 21.424 195 HG3 PRO 574 HG1 PRO 574 4.193 -27.923 23.143 196 HD2 PRO 574 HD2 PRO 574 2.601 -28.941 21.229 197 HD3 PRO 574 HD1 PRO 574 1.908 -28.230 22.704 198 H GLU 575 HN GLU 575 3.069 -26.961 19.036 199 HA GLU 575 HA GLU 575 4.670 -24.925 17.643 200 HB2 GLU 575 HB2 GLU 575 3.958 -27.776 16.794 201 HB3 GLU 575 HB1 GLU 575 5.094 -26.710 15.968 202 HG2 GLU 575 HG2 GLU 575 6.598 -26.778 17.882 203 HG3 GLU 575 HG1 GLU 575 5.449 -27.763 18.787 204 H ARG 576 HN ARG 576 1.507 -25.152 18.089 205 HA ARG 576 HA ARG 576 0.107 -25.871 15.827 206 HB2 ARG 576 HB2 ARG 576 -0.889 -25.153 18.060 207 HB3 ARG 576 HB1 ARG 576 -0.639 -23.481 17.578 208 HG2 ARG 576 HG2 ARG 576 -2.131 -24.035 15.529 209 HG3 ARG 576 HG1 ARG 576 -2.555 -25.511 16.399 210 HD2 ARG 576 HD2 ARG 576 -3.195 -23.932 18.359 211 HD3 ARG 576 HD1 ARG 576 -3.115 -22.647 17.148 212 HE ARG 576 HE ARG 576 -4.771 -24.603 16.083 213 HH11 ARG 576 HH11 ARG 576 -4.839 -22.515 18.914 214 HH12 ARG 576 HH12 ARG 576 -6.569 -22.509 19.000 215 HH21 ARG 576 HH21 ARG 576 -7.043 -24.598 16.258 216 HH22 ARG 576 HH22 ARG 576 -7.799 -23.673 17.510 217 H TRP 577 HN TRP 577 1.173 -22.549 16.597 218 HA TRP 577 HA TRP 577 0.144 -21.364 14.230 219 HB2 TRP 577 HB2 TRP 577 2.190 -20.284 16.226 220 HB3 TRP 577 HB1 TRP 577 1.351 -19.320 15.008 221 HD1 TRP 577 HD1 TRP 577 0.989 -20.466 18.537 222 HE1 TRP 577 HE1 TRP 577 -1.365 -19.928 19.412 223 HE3 TRP 577 HE3 TRP 577 -1.286 -19.265 14.110 224 HZ2 TRP 577 HZ2 TRP 577 -3.858 -19.130 18.379 225 HZ3 TRP 577 HZ3 TRP 577 -3.663 -18.639 14.138 226 HH2 TRP 577 HH2 TRP 577 -4.915 -18.574 16.229 227 H LYS 578 HN LYS 578 3.362 -22.556 15.109 228 HA LYS 578 HA LYS 578 4.759 -21.535 12.835 229 HB2 LYS 578 HB2 LYS 578 5.452 -23.892 14.639 230 HB3 LYS 578 HB1 LYS 578 6.556 -23.138 13.488 231 HG2 LYS 578 HG2 LYS 578 5.334 -21.821 15.940 232 HG3 LYS 578 HG1 LYS 578 7.013 -22.334 15.752 233 HD2 LYS 578 HD2 LYS 578 7.367 -20.654 13.993 234 HD3 LYS 578 HD1 LYS 578 5.665 -20.190 14.050 235 HE2 LYS 578 HE2 LYS 578 7.012 -18.541 15.234 236 HE3 LYS 578 HE1 LYS 578 5.988 -19.393 16.388 237 HZ1 LYS 578 HZ1 LYS 578 7.881 -20.736 17.029 238 HZ2 LYS 578 HZ2 LYS 578 8.246 -19.094 17.204 239 HZ3 LYS 578 HZ3 LYS 578 8.863 -19.960 15.891 240 H LYS 579 HN LYS 579 2.875 -24.420 13.382 241 HA LYS 579 HA LYS 579 3.456 -25.669 10.841 242 HB2 LYS 579 HB2 LYS 579 1.237 -26.143 12.861 243 HB3 LYS 579 HB1 LYS 579 1.538 -27.154 11.449 244 HG2 LYS 579 HG2 LYS 579 3.801 -27.690 12.387 245 HG3 LYS 579 HG1 LYS 579 3.370 -26.781 13.841 246 HD2 LYS 579 HD2 LYS 579 1.522 -28.316 14.298 247 HD3 LYS 579 HD1 LYS 579 1.819 -29.177 12.786 248 HE2 LYS 579 HE2 LYS 579 4.099 -29.790 13.701 249 HE3 LYS 579 HE1 LYS 579 3.589 -29.097 15.241 250 HZ1 LYS 579 HZ1 LYS 579 2.233 -31.322 13.825 251 HZ2 LYS 579 HZ2 LYS 579 1.773 -30.670 15.315 252 HZ3 LYS 579 HZ3 LYS 579 3.249 -31.485 15.169 253 H ILE 580 HN ILE 580 0.999 -23.502 12.171 254 HA ILE 580 HA ILE 580 -0.782 -23.433 9.959 255 HB ILE 580 HB ILE 580 -0.282 -21.461 12.228 256 HG12 ILE 580 HG12 ILE 580 -2.586 -23.371 11.658 257 HG13 ILE 580 HG11 ILE 580 -1.320 -23.627 12.843 258 HG21 ILE 580 HG21 ILE 580 -2.481 -21.202 10.154 259 HG22 ILE 580 HG22 ILE 580 -1.107 -20.113 10.349 260 HG23 ILE 580 HG23 ILE 580 -2.325 -20.231 11.620 261 HD11 ILE 580 HD11 ILE 580 -3.399 -22.960 13.878 262 HD12 ILE 580 HD12 ILE 580 -3.421 -21.467 12.941 263 HD13 ILE 580 HD13 ILE 580 -2.155 -21.741 14.141 264 H ALA 581 HN ALA 581 2.284 -21.812 10.579 265 HA ALA 581 HA ALA 581 2.378 -20.003 8.438 266 HB1 ALA 581 HB1 ALA 581 4.816 -20.189 8.521 267 HB2 ALA 581 HB2 ALA 581 4.699 -21.691 9.445 268 HB3 ALA 581 HB3 ALA 581 4.162 -20.171 10.155 269 H GLU 582 HN GLU 582 2.901 -23.490 8.465 270 HA GLU 582 HA GLU 582 3.705 -23.691 5.708 271 HB2 GLU 582 HB2 GLU 582 2.837 -25.906 7.606 272 HB3 GLU 582 HB1 GLU 582 3.749 -26.105 6.109 273 HG2 GLU 582 HG2 GLU 582 4.708 -24.722 8.642 274 HG3 GLU 582 HG1 GLU 582 5.218 -26.305 8.055 275 H ALA 583 HN ALA 583 0.689 -23.685 7.396 276 HA ALA 583 HA ALA 583 -0.865 -24.793 5.174 277 HB1 ALA 583 HB1 ALA 583 -2.796 -24.471 6.674 278 HB2 ALA 583 HB2 ALA 583 -1.758 -23.658 7.850 279 HB3 ALA 583 HB3 ALA 583 -1.503 -25.364 7.476 280 H VAL 584 HN VAL 584 -0.000 -21.692 6.540 281 HA VAL 584 HA VAL 584 -1.702 -20.207 4.631 282 HB VAL 584 HB VAL 584 -1.164 -19.201 7.463 283 HG11 VAL 584 HG11 VAL 584 -3.182 -18.320 5.360 284 HG12 VAL 584 HG12 VAL 584 -1.703 -17.468 5.807 285 HG13 VAL 584 HG13 VAL 584 -3.011 -17.626 6.977 286 HG21 VAL 584 HG21 VAL 584 -3.656 -20.662 6.527 287 HG22 VAL 584 HG22 VAL 584 -3.483 -19.822 8.070 288 HG23 VAL 584 HG23 VAL 584 -2.487 -21.234 7.717 289 HA PRO 585 HA PRO 585 2.451 -18.220 4.225 290 HB2 PRO 585 HB2 PRO 585 2.516 -18.098 1.521 291 HB3 PRO 585 HB1 PRO 585 2.955 -19.582 2.377 292 HG2 PRO 585 HG2 PRO 585 0.365 -18.886 1.006 293 HG3 PRO 585 HG1 PRO 585 1.278 -20.409 0.963 294 HD2 PRO 585 HD2 PRO 585 -0.909 -19.972 2.608 295 HD3 PRO 585 HD1 PRO 585 0.374 -21.147 2.963 296 H GLY 586 HN GLY 586 2.824 -16.041 3.162 297 HA2 GLY 586 HA2 GLY 586 2.162 -13.998 2.260 298 HA3 GLY 586 HA1 GLY 586 0.512 -14.576 2.165 299 H ARG 587 HN ARG 587 0.219 -15.270 4.945 300 HA ARG 587 HA ARG 587 0.264 -12.612 6.260 301 HB2 ARG 587 HB2 ARG 587 -1.643 -14.948 6.748 302 HB3 ARG 587 HB1 ARG 587 -1.639 -13.433 7.650 303 HG2 ARG 587 HG2 ARG 587 -2.240 -13.750 4.697 304 HG3 ARG 587 HG1 ARG 587 -3.422 -13.475 5.978 305 HD2 ARG 587 HD2 ARG 587 -2.525 -11.255 6.397 306 HD3 ARG 587 HD1 ARG 587 -1.192 -11.530 5.270 307 HE ARG 587 HE ARG 587 -3.922 -10.827 4.637 308 HH11 ARG 587 HH11 ARG 587 -0.886 -12.045 3.338 309 HH12 ARG 587 HH12 ARG 587 -1.365 -11.826 1.686 310 HH21 ARG 587 HH21 ARG 587 -4.530 -10.552 2.469 311 HH22 ARG 587 HH22 ARG 587 -3.427 -10.987 1.201 312 H THR 588 HN THR 588 1.079 -12.450 8.273 313 HA THR 588 HA THR 588 2.940 -14.460 9.192 314 HB THR 588 HB THR 588 2.239 -11.749 10.441 315 HG1 THR 588 HG1 THR 588 2.768 -11.473 8.231 316 HG21 THR 588 HG21 THR 588 4.549 -11.755 11.249 317 HG22 THR 588 HG22 THR 588 4.832 -13.320 10.486 318 HG23 THR 588 HG23 THR 588 3.698 -13.194 11.829 319 H LYS 589 HN LYS 589 2.994 -15.112 11.483 320 HA LYS 589 HA LYS 589 0.509 -16.307 12.206 321 HB2 LYS 589 HB2 LYS 589 3.307 -16.398 13.293 322 HB3 LYS 589 HB1 LYS 589 2.006 -17.022 14.293 323 HG2 LYS 589 HG2 LYS 589 3.256 -18.710 12.853 324 HG3 LYS 589 HG1 LYS 589 1.501 -18.766 12.806 325 HD2 LYS 589 HD2 LYS 589 2.871 -17.149 10.676 326 HD3 LYS 589 HD1 LYS 589 3.034 -18.892 10.586 327 HE2 LYS 589 HE2 LYS 589 0.601 -19.161 10.472 328 HE3 LYS 589 HE1 LYS 589 0.379 -17.426 10.694 329 HZ1 LYS 589 HZ1 LYS 589 1.580 -17.090 8.588 330 HZ2 LYS 589 HZ2 LYS 589 0.152 -17.971 8.398 331 HZ3 LYS 589 HZ3 LYS 589 1.640 -18.763 8.368 332 H LYS 590 HN LYS 590 2.189 -13.456 13.365 333 HA LYS 590 HA LYS 590 0.730 -12.961 15.702 334 HB2 LYS 590 HB2 LYS 590 1.255 -10.544 15.316 335 HB3 LYS 590 HB1 LYS 590 2.665 -11.584 15.141 336 HG2 LYS 590 HG2 LYS 590 2.564 -11.425 12.729 337 HG3 LYS 590 HG1 LYS 590 1.034 -10.549 12.804 338 HD2 LYS 590 HD2 LYS 590 2.175 -8.667 13.938 339 HD3 LYS 590 HD1 LYS 590 3.710 -9.537 13.841 340 HE2 LYS 590 HE2 LYS 590 3.604 -9.464 11.381 341 HE3 LYS 590 HE1 LYS 590 2.041 -8.645 11.459 342 HZ1 LYS 590 HZ1 LYS 590 3.875 -7.108 11.072 343 HZ2 LYS 590 HZ2 LYS 590 4.596 -7.577 12.526 344 HZ3 LYS 590 HZ3 LYS 590 3.103 -6.786 12.541 345 H ASP 591 HN ASP 591 -0.038 -12.203 12.289 346 HA ASP 591 HA ASP 591 -2.536 -10.897 12.688 347 HB2 ASP 591 HB2 ASP 591 -1.512 -12.428 10.245 348 HB3 ASP 591 HB1 ASP 591 -2.943 -11.403 10.249 349 H CYS 592 HN CYS 592 -1.593 -14.252 12.183 350 HA CYS 592 HA CYS 592 -4.161 -15.416 11.889 351 HB2 CYS 592 HB2 CYS 592 -1.564 -16.672 12.869 352 HB3 CYS 592 HB1 CYS 592 -2.985 -17.565 12.328 353 HG CYS 592 HG CYS 592 -1.680 -15.320 10.174 354 H MET 593 HN MET 593 -2.164 -14.707 14.707 355 HA MET 593 HA MET 593 -3.760 -16.031 16.675 356 HB2 MET 593 HB2 MET 593 -1.712 -13.790 16.908 357 HB3 MET 593 HB1 MET 593 -2.459 -14.561 18.296 358 HG2 MET 593 HG2 MET 593 -1.401 -16.663 17.780 359 HG3 MET 593 HG1 MET 593 -0.828 -16.051 16.230 360 HE1 MET 593 HE1 MET 593 2.614 -16.263 18.003 361 HE2 MET 593 HE2 MET 593 1.720 -16.545 16.509 362 HE3 MET 593 HE3 MET 593 1.308 -17.445 17.971 363 H LYS 594 HN LYS 594 -3.590 -12.690 15.453 364 HA LYS 594 HA LYS 594 -5.539 -11.500 17.120 365 HB2 LYS 594 HB2 LYS 594 -4.866 -10.726 14.247 366 HB3 LYS 594 HB1 LYS 594 -5.727 -9.717 15.404 367 HG2 LYS 594 HG2 LYS 594 -2.844 -10.597 15.578 368 HG3 LYS 594 HG1 LYS 594 -3.419 -8.993 15.137 369 HD2 LYS 594 HD2 LYS 594 -4.326 -8.682 17.405 370 HD3 LYS 594 HD1 LYS 594 -3.825 -10.319 17.847 371 HE2 LYS 594 HE2 LYS 594 -2.006 -7.997 17.117 372 HE3 LYS 594 HE1 LYS 594 -2.199 -8.731 18.711 373 HZ1 LYS 594 HZ1 LYS 594 -1.059 -10.042 16.300 374 HZ2 LYS 594 HZ2 LYS 594 -1.308 -10.807 17.789 375 HZ3 LYS 594 HZ3 LYS 594 -0.202 -9.532 17.668 376 H ARG 595 HN ARG 595 -5.774 -13.144 13.995 377 HA ARG 595 HA ARG 595 -8.478 -12.368 13.481 378 HB2 ARG 595 HB2 ARG 595 -6.669 -13.016 11.734 379 HB3 ARG 595 HB1 ARG 595 -7.048 -14.687 12.129 380 HG2 ARG 595 HG2 ARG 595 -8.241 -13.926 10.101 381 HG3 ARG 595 HG1 ARG 595 -9.383 -14.353 11.387 382 HD2 ARG 595 HD2 ARG 595 -9.601 -11.980 11.988 383 HD3 ARG 595 HD1 ARG 595 -8.437 -11.542 10.735 384 HE ARG 595 HE ARG 595 -10.480 -12.885 9.458 385 HH11 ARG 595 HH11 ARG 595 -10.234 -9.984 11.450 386 HH12 ARG 595 HH12 ARG 595 -11.487 -9.159 10.577 387 HH21 ARG 595 HH21 ARG 595 -12.132 -11.796 8.387 388 HH22 ARG 595 HH22 ARG 595 -12.555 -10.179 8.853 389 H TYR 596 HN TYR 596 -6.915 -15.390 14.522 390 HA TYR 596 HA TYR 596 -9.249 -16.936 14.933 391 HB2 TYR 596 HB2 TYR 596 -7.135 -18.052 14.795 392 HB3 TYR 596 HB1 TYR 596 -6.451 -17.094 16.098 393 HD1 TYR 596 HD2 TYR 596 -9.413 -19.395 15.626 394 HD2 TYR 596 HD1 TYR 596 -6.114 -18.265 18.086 395 HE1 TYR 596 HE2 TYR 596 -9.967 -21.203 17.196 396 HE2 TYR 596 HE1 TYR 596 -6.659 -20.067 19.653 397 HH TYR 596 HH TYR 596 -8.522 -21.461 20.303 398 H LYS 597 HN LYS 597 -7.495 -14.639 16.998 399 HA LYS 597 HA LYS 597 -8.917 -15.056 19.393 400 HB2 LYS 597 HB2 LYS 597 -6.873 -13.631 19.295 401 HB3 LYS 597 HB1 LYS 597 -7.768 -12.414 18.387 402 HG2 LYS 597 HG2 LYS 597 -9.321 -12.161 20.352 403 HG3 LYS 597 HG1 LYS 597 -8.304 -13.295 21.249 404 HD2 LYS 597 HD2 LYS 597 -6.380 -11.726 20.985 405 HD3 LYS 597 HD1 LYS 597 -7.451 -10.593 20.151 406 HE2 LYS 597 HE2 LYS 597 -8.847 -10.430 22.197 407 HE3 LYS 597 HE1 LYS 597 -7.746 -11.531 23.031 408 HZ1 LYS 597 HZ1 LYS 597 -7.264 -9.246 23.572 409 HZ2 LYS 597 HZ2 LYS 597 -7.046 -8.859 21.940 410 HZ3 LYS 597 HZ3 LYS 597 -5.973 -9.917 22.710 411 H GLU 598 HN GLU 598 -9.545 -12.841 16.647 412 HA GLU 598 HA GLU 598 -11.902 -11.651 17.573 413 HB2 GLU 598 HB2 GLU 598 -11.051 -12.278 14.714 414 HB3 GLU 598 HB1 GLU 598 -12.431 -11.261 15.125 415 HG2 GLU 598 HG2 GLU 598 -10.909 -9.681 16.268 416 HG3 GLU 598 HG1 GLU 598 -9.535 -10.691 15.818 417 H LEU 599 HN LEU 599 -11.423 -14.635 15.664 418 HA LEU 599 HA LEU 599 -14.117 -15.267 15.190 419 HB2 LEU 599 HB2 LEU 599 -11.762 -17.169 15.494 420 HB3 LEU 599 HB1 LEU 599 -13.320 -17.605 14.810 421 HG LEU 599 HG LEU 599 -11.340 -15.625 13.617 422 HD11 LEU 599 HD11 LEU 599 -12.127 -18.388 12.644 423 HD12 LEU 599 HD12 LEU 599 -10.586 -17.933 13.378 424 HD13 LEU 599 HD13 LEU 599 -11.048 -17.260 11.817 425 HD21 LEU 599 HD21 LEU 599 -12.836 -15.511 11.667 426 HD22 LEU 599 HD22 LEU 599 -13.618 -14.899 13.121 427 HD23 LEU 599 HD23 LEU 599 -14.028 -16.505 12.508 428 H VAL 600 HN VAL 600 -11.954 -16.458 17.806 429 HA VAL 600 HA VAL 600 -13.951 -18.099 19.013 430 HB VAL 600 HB VAL 600 -11.482 -18.547 19.168 431 HG11 VAL 600 HG11 VAL 600 -10.634 -16.293 19.628 432 HG12 VAL 600 HG12 VAL 600 -10.093 -17.426 20.870 433 HG13 VAL 600 HG13 VAL 600 -11.412 -16.303 21.210 434 HG21 VAL 600 HG21 VAL 600 -11.494 -19.418 21.476 435 HG22 VAL 600 HG22 VAL 600 -13.029 -19.723 20.662 436 HG23 VAL 600 HG23 VAL 600 -12.905 -18.421 21.844 437 H GLU 601 HN GLU 601 -12.827 -14.806 19.631 438 HA GLU 601 HA GLU 601 -14.173 -14.379 22.102 439 HB2 GLU 601 HB2 GLU 601 -13.061 -12.455 20.029 440 HB3 GLU 601 HB1 GLU 601 -13.889 -11.884 21.473 441 HG2 GLU 601 HG2 GLU 601 -11.390 -13.603 21.454 442 HG3 GLU 601 HG1 GLU 601 -11.424 -11.858 21.695 443 H MET 602 HN MET 602 -15.030 -13.590 18.723 444 HA MET 602 HA MET 602 -17.431 -12.221 19.358 445 HB2 MET 602 HB2 MET 602 -16.448 -13.373 16.725 446 HB3 MET 602 HB1 MET 602 -17.954 -12.484 16.865 447 HG2 MET 602 HG2 MET 602 -16.672 -10.502 17.660 448 HG3 MET 602 HG1 MET 602 -15.176 -11.399 17.407 449 HE1 MET 602 HE1 MET 602 -16.024 -13.023 14.652 450 HE2 MET 602 HE2 MET 602 -14.427 -12.312 14.896 451 HE3 MET 602 HE3 MET 602 -15.348 -11.930 13.443 452 H VAL 603 HN VAL 603 -16.784 -15.631 18.437 453 HA VAL 603 HA VAL 603 -19.560 -16.292 18.083 454 HB VAL 603 HB VAL 603 -18.879 -18.667 18.011 455 HG11 VAL 603 HG11 VAL 603 -17.391 -18.577 16.040 456 HG12 VAL 603 HG12 VAL 603 -17.007 -16.893 16.403 457 HG13 VAL 603 HG13 VAL 603 -18.653 -17.346 15.962 458 HG21 VAL 603 HG21 VAL 603 -16.075 -17.742 18.757 459 HG22 VAL 603 HG22 VAL 603 -16.512 -19.377 18.252 460 HG23 VAL 603 HG23 VAL 603 -17.150 -18.719 19.758 461 H LYS 604 HN LYS 604 -17.294 -16.585 20.827 462 HA LYS 604 HA LYS 604 -19.221 -17.977 22.490 463 HB2 LYS 604 HB2 LYS 604 -16.498 -16.788 23.114 464 HB3 LYS 604 HB1 LYS 604 -17.478 -17.656 24.299 465 HG2 LYS 604 HG2 LYS 604 -17.417 -19.674 22.852 466 HG3 LYS 604 HG1 LYS 604 -16.401 -18.801 21.698 467 HD2 LYS 604 HD2 LYS 604 -14.626 -18.591 23.367 468 HD3 LYS 604 HD1 LYS 604 -15.641 -19.355 24.593 469 HE2 LYS 604 HE2 LYS 604 -15.644 -21.448 23.245 470 HE3 LYS 604 HE1 LYS 604 -14.588 -20.671 22.063 471 HZ1 LYS 604 HZ1 LYS 604 -13.294 -22.011 23.543 472 HZ2 LYS 604 HZ2 LYS 604 -13.952 -21.250 24.901 473 HZ3 LYS 604 HZ3 LYS 604 -12.943 -20.382 23.858 474 H ALA 605 HN ALA 605 -18.213 -14.638 22.025 475 HA ALA 605 HA ALA 605 -19.635 -13.520 24.254 476 HB1 ALA 605 HB1 ALA 605 -17.826 -12.257 23.138 477 HB2 ALA 605 HB2 ALA 605 -19.335 -11.340 23.118 478 HB3 ALA 605 HB3 ALA 605 -18.784 -12.174 21.661 479 H LYS 606 HN LYS 606 -20.397 -14.238 20.886 480 HA LYS 606 HA LYS 606 -22.957 -13.029 20.721 481 HB2 LYS 606 HB2 LYS 606 -21.657 -13.691 18.726 482 HB3 LYS 606 HB1 LYS 606 -21.787 -15.379 19.178 483 HG2 LYS 606 HG2 LYS 606 -23.316 -15.063 17.400 484 HG3 LYS 606 HG1 LYS 606 -24.311 -15.167 18.850 485 HD2 LYS 606 HD2 LYS 606 -23.473 -12.485 17.694 486 HD3 LYS 606 HD1 LYS 606 -24.869 -13.351 17.059 487 HE2 LYS 606 HE2 LYS 606 -25.937 -13.286 19.278 488 HE3 LYS 606 HE1 LYS 606 -24.532 -12.454 19.942 489 HZ1 LYS 606 HZ1 LYS 606 -24.973 -10.632 18.402 490 HZ2 LYS 606 HZ2 LYS 606 -26.261 -10.901 19.461 491 HZ3 LYS 606 HZ3 LYS 606 -26.362 -11.426 17.858 492 H LYS 607 HN LYS 607 -21.928 -16.368 21.317 493 HA LYS 607 HA LYS 607 -24.456 -17.524 21.719 494 HB2 LYS 607 HB2 LYS 607 -22.434 -18.853 21.236 495 HB3 LYS 607 HB1 LYS 607 -21.734 -18.382 22.782 496 HG2 LYS 607 HG2 LYS 607 -23.543 -19.602 23.967 497 HG3 LYS 607 HG1 LYS 607 -24.230 -20.083 22.414 498 HD2 LYS 607 HD2 LYS 607 -21.447 -20.827 23.400 499 HD3 LYS 607 HD1 LYS 607 -22.860 -21.880 23.481 500 HE2 LYS 607 HE2 LYS 607 -23.011 -21.856 21.006 501 HE3 LYS 607 HE1 LYS 607 -21.589 -20.811 20.933 502 HZ1 LYS 607 HZ1 LYS 607 -20.297 -22.564 21.978 503 HZ2 LYS 607 HZ2 LYS 607 -21.015 -23.113 20.550 504 HZ3 LYS 607 HZ3 LYS 607 -21.661 -23.564 22.046 505 H ALA 608 HN ALA 608 -22.088 -16.176 24.015 506 HA ALA 608 HA ALA 608 -23.430 -16.803 26.415 507 HB1 ALA 608 HB1 ALA 608 -21.063 -16.121 26.365 508 HB2 ALA 608 HB2 ALA 608 -21.992 -15.106 27.472 509 HB3 ALA 608 HB3 ALA 608 -21.532 -14.492 25.881 510 H ALA 609 HN ALA 609 -23.261 -13.672 24.709 511 HA ALA 609 HA ALA 609 -24.967 -12.229 26.380 512 HB1 ALA 609 HB1 ALA 609 -23.412 -11.193 24.778 513 HB2 ALA 609 HB2 ALA 609 -25.049 -10.561 24.582 514 HB3 ALA 609 HB3 ALA 609 -24.414 -11.746 23.436 515 H GLN 610 HN GLN 610 -25.732 -14.053 23.421 516 HA GLN 610 HA GLN 610 -28.468 -13.350 23.202 517 HB2 GLN 610 HB2 GLN 610 -27.155 -14.372 21.332 518 HB3 GLN 610 HB1 GLN 610 -27.084 -15.885 22.225 519 HG2 GLN 610 HG2 GLN 610 -28.785 -16.130 20.573 520 HG3 GLN 610 HG1 GLN 610 -29.607 -15.985 22.122 521 HE21 GLN 610 HE21 GLN 610 -30.681 -13.986 22.603 522 HE22 GLN 610 HE22 GLN 610 -31.205 -12.936 21.336 523 H GLU 611 HN GLU 611 -26.847 -16.172 24.636 524 HA GLU 611 HA GLU 611 -29.208 -17.567 25.397 525 HB2 GLU 611 HB2 GLU 611 -26.983 -18.628 24.961 526 HB3 GLU 611 HB1 GLU 611 -26.359 -17.889 26.427 527 HG2 GLU 611 HG2 GLU 611 -28.061 -19.201 27.733 528 HG3 GLU 611 HG1 GLU 611 -28.519 -20.010 26.235 529 H GLN 612 HN GLN 612 -27.249 -15.125 26.989 530 HA GLN 612 HA GLN 612 -28.206 -15.473 29.658 531 HB2 GLN 612 HB2 GLN 612 -26.879 -13.115 28.273 532 HB3 GLN 612 HB1 GLN 612 -27.309 -13.093 29.981 533 HG2 GLN 612 HG2 GLN 612 -25.791 -14.945 30.433 534 HG3 GLN 612 HG1 GLN 612 -25.421 -15.111 28.718 535 HE21 GLN 612 HE21 GLN 612 -23.182 -14.781 29.067 536 HE22 GLN 612 HE22 GLN 612 -22.537 -13.228 29.469 537 H VAL 613 HN VAL 613 -29.193 -13.404 26.943 538 HA VAL 613 HA VAL 613 -31.355 -12.109 28.300 539 HB VAL 613 HB VAL 613 -30.846 -12.458 25.312 540 HG11 VAL 613 HG11 VAL 613 -32.404 -10.549 24.971 541 HG12 VAL 613 HG12 VAL 613 -32.801 -10.576 26.689 542 HG13 VAL 613 HG13 VAL 613 -33.224 -11.949 25.668 543 HG21 VAL 613 HG21 VAL 613 -29.966 -10.151 25.389 544 HG22 VAL 613 HG22 VAL 613 -29.050 -11.210 26.463 545 HG23 VAL 613 HG23 VAL 613 -30.243 -10.096 27.131 546 H LEU 614 HN LEU 614 -31.068 -15.049 26.354 547 HA LEU 614 HA LEU 614 -33.837 -15.749 26.273 548 HB2 LEU 614 HB2 LEU 614 -31.244 -17.149 25.677 549 HB3 LEU 614 HB1 LEU 614 -32.657 -18.157 25.907 550 HG LEU 614 HG LEU 614 -33.768 -17.251 23.985 551 HD11 LEU 614 HD11 LEU 614 -31.604 -15.150 23.753 552 HD12 LEU 614 HD12 LEU 614 -33.276 -14.878 24.242 553 HD13 LEU 614 HD13 LEU 614 -32.917 -15.416 22.603 554 HD21 LEU 614 HD21 LEU 614 -32.039 -18.925 23.487 555 HD22 LEU 614 HD22 LEU 614 -30.842 -17.643 23.276 556 HD23 LEU 614 HD23 LEU 614 -32.206 -17.772 22.163 557 H ASN 615 HN ASN 615 -31.274 -16.297 28.623 558 HA ASN 615 HA ASN 615 -32.651 -18.161 30.305 559 HB2 ASN 615 HB2 ASN 615 -30.171 -17.776 30.367 560 HB3 ASN 615 HB1 ASN 615 -30.446 -16.180 31.046 561 HD21 ASN 615 HD21 ASN 615 -31.229 -16.027 33.212 562 HD22 ASN 615 HD22 ASN 615 -31.080 -17.346 34.317 563 H ALA 616 HN ALA 616 -32.292 -14.655 30.222 564 HA ALA 616 HA ALA 616 -33.832 -13.982 32.509 565 HB1 ALA 616 HB1 ALA 616 -33.776 -11.697 31.600 566 HB2 ALA 616 HB2 ALA 616 -33.194 -12.312 30.051 567 HB3 ALA 616 HB3 ALA 616 -32.185 -12.452 31.493 568 H SER 617 HN SER 617 -34.639 -14.670 29.161 569 HA SER 617 HA SER 617 -37.274 -13.657 29.041 570 HB2 SER 617 HB2 SER 617 -35.985 -14.307 27.041 571 HB3 SER 617 HB1 SER 617 -36.022 -15.995 27.540 572 HG SER 617 HG SER 617 -38.215 -14.372 26.753 573 H ARG 618 HN ARG 618 -35.988 -16.663 30.381 574 HA ARG 618 HA ARG 618 -38.638 -17.746 30.981 575 HB2 ARG 618 HB2 ARG 618 -35.807 -18.709 31.470 576 HB3 ARG 618 HB1 ARG 618 -37.143 -19.440 32.341 577 HG2 ARG 618 HG2 ARG 618 -36.568 -20.805 30.425 578 HG3 ARG 618 HG1 ARG 618 -38.181 -20.123 30.207 579 HD2 ARG 618 HD2 ARG 618 -37.233 -18.399 28.698 580 HD3 ARG 618 HD1 ARG 618 -35.627 -19.102 28.918 581 HE ARG 618 HE ARG 618 -36.773 -21.224 27.988 582 HH11 ARG 618 HH11 ARG 618 -37.587 -17.972 26.939 583 HH12 ARG 618 HH12 ARG 618 -37.970 -18.467 25.323 584 HH21 ARG 618 HH21 ARG 618 -37.277 -21.867 25.879 585 HH22 ARG 618 HH22 ARG 618 -37.786 -20.682 24.714 586 H ALA 619 HN ALA 619 -35.947 -16.148 32.630 587 HA ALA 619 HA ALA 619 -36.881 -16.473 35.299 588 HB1 ALA 619 HB1 ALA 619 -34.856 -14.496 34.181 589 HB2 ALA 619 HB2 ALA 619 -34.505 -16.123 34.766 590 HB3 ALA 619 HB3 ALA 619 -35.083 -14.890 35.888 591 H LYS 620 HN LYS 620 -39.000 -15.760 35.423 592 HA LYS 620 HA LYS 620 -39.538 -12.848 35.206 593 HB2 LYS 620 HB2 LYS 620 -41.500 -15.156 35.594 594 HB3 LYS 620 HB1 LYS 620 -41.916 -13.472 35.270 595 HG2 LYS 620 HG2 LYS 620 -41.007 -13.617 33.017 596 HG3 LYS 620 HG1 LYS 620 -40.365 -15.231 33.334 597 HD2 LYS 620 HD2 LYS 620 -43.310 -14.471 33.228 598 HD3 LYS 620 HD1 LYS 620 -42.416 -15.340 31.976 599 HE2 LYS 620 HE2 LYS 620 -42.979 -16.327 34.794 600 HE3 LYS 620 HE1 LYS 620 -43.744 -16.897 33.313 601 HZ1 LYS 620 HZ1 LYS 620 -41.599 -17.727 32.566 602 HZ2 LYS 620 HZ2 LYS 620 -42.004 -18.394 34.067 603 HZ3 LYS 620 HZ3 LYS 620 -40.857 -17.159 33.977 604 H LYS 621 HN LYS 621 -39.483 -15.621 37.340 605 HA LYS 621 HA LYS 621 -39.165 -13.969 39.691 606 HB2 LYS 621 HB2 LYS 621 -41.609 -14.174 39.685 607 HB3 LYS 621 HB1 LYS 621 -41.504 -15.908 39.407 608 HG2 LYS 621 HG2 LYS 621 -42.110 -15.370 41.741 609 HG3 LYS 621 HG1 LYS 621 -40.592 -16.269 41.639 610 HD2 LYS 621 HD2 LYS 621 -39.394 -14.004 41.794 611 HD3 LYS 621 HD1 LYS 621 -40.965 -13.296 42.190 612 HE2 LYS 621 HE2 LYS 621 -39.633 -13.788 44.211 613 HE3 LYS 621 HE1 LYS 621 -41.120 -14.737 44.177 614 HZ1 LYS 621 HZ1 LYS 621 -39.100 -15.989 44.829 615 HZ2 LYS 621 HZ2 LYS 621 -38.490 -15.776 43.270 616 HZ3 LYS 621 HZ3 LYS 621 -39.914 -16.658 43.510 Start of MODEL 11 1 H PHE 551 HN PHE 551 0.910 -4.623 9.708 2 HA PHE 551 HA PHE 551 0.679 -7.463 9.953 3 HB2 PHE 551 HB2 PHE 551 -1.636 -7.064 10.642 4 HB3 PHE 551 HB1 PHE 551 -0.560 -5.945 11.456 5 HD1 PHE 551 HD2 PHE 551 -0.649 -3.514 10.930 6 HD2 PHE 551 HD1 PHE 551 -3.353 -6.269 9.086 7 HE1 PHE 551 HE2 PHE 551 -2.112 -1.646 10.267 8 HE2 PHE 551 HE1 PHE 551 -4.805 -4.394 8.430 9 HZ PHE 551 HZ PHE 551 -4.190 -2.087 9.023 10 H THR 552 HN THR 552 -0.375 -8.926 8.673 11 HA THR 552 HA THR 552 -0.600 -8.227 5.842 12 HB THR 552 HB THR 552 -0.549 -10.728 5.515 13 HG1 THR 552 HG1 THR 552 -1.002 -10.689 8.197 14 HG21 THR 552 HG21 THR 552 1.714 -9.657 7.246 15 HG22 THR 552 HG22 THR 552 1.573 -9.438 5.499 16 HG23 THR 552 HG23 THR 552 1.798 -11.054 6.168 17 HA PRO 553 HA PRO 553 -5.115 -8.219 6.487 18 HB2 PRO 553 HB2 PRO 553 -5.872 -7.447 3.984 19 HB3 PRO 553 HB1 PRO 553 -5.138 -6.327 5.142 20 HG2 PRO 553 HG2 PRO 553 -3.831 -7.822 2.866 21 HG3 PRO 553 HG1 PRO 553 -3.670 -6.107 3.306 22 HD2 PRO 553 HD2 PRO 553 -1.814 -7.975 4.016 23 HD3 PRO 553 HD1 PRO 553 -2.169 -6.566 5.040 24 H TRP 554 HN TRP 554 -6.389 -9.940 6.536 25 HA TRP 554 HA TRP 554 -5.797 -12.358 5.163 26 HB2 TRP 554 HB2 TRP 554 -8.107 -11.564 6.983 27 HB3 TRP 554 HB1 TRP 554 -7.905 -13.195 6.335 28 HD1 TRP 554 HD1 TRP 554 -6.560 -10.905 9.055 29 HE1 TRP 554 HE1 TRP 554 -4.830 -12.193 10.444 30 HE3 TRP 554 HE3 TRP 554 -6.115 -15.061 6.135 31 HZ2 TRP 554 HZ2 TRP 554 -3.414 -14.627 10.289 32 HZ3 TRP 554 HZ3 TRP 554 -4.557 -16.823 6.825 33 HH2 TRP 554 HH2 TRP 554 -3.229 -16.617 8.865 34 H THR 555 HN THR 555 -6.033 -12.163 2.975 35 HA THR 555 HA THR 555 -8.497 -11.496 1.681 36 HB THR 555 HB THR 555 -7.452 -12.679 -0.292 37 HG1 THR 555 HG1 THR 555 -5.578 -13.747 -0.061 38 HG21 THR 555 HG21 THR 555 -5.610 -10.675 1.075 39 HG22 THR 555 HG22 THR 555 -6.999 -10.263 0.060 40 HG23 THR 555 HG23 THR 555 -5.607 -11.093 -0.639 41 H THR 556 HN THR 556 -9.891 -13.081 0.619 42 HA THR 556 HA THR 556 -11.048 -14.783 2.463 43 HB THR 556 HB THR 556 -11.381 -14.859 -0.569 44 HG1 THR 556 HG1 THR 556 -12.941 -13.249 -0.212 45 HG21 THR 556 HG21 THR 556 -13.695 -15.596 -0.111 46 HG22 THR 556 HG22 THR 556 -13.351 -15.648 1.618 47 HG23 THR 556 HG23 THR 556 -12.532 -16.764 0.522 48 H GLU 557 HN GLU 557 -8.736 -15.558 -0.093 49 HA GLU 557 HA GLU 557 -8.902 -18.389 0.037 50 HB2 GLU 557 HB2 GLU 557 -6.565 -18.268 -1.098 51 HB3 GLU 557 HB1 GLU 557 -7.962 -17.661 -1.967 52 HG2 GLU 557 HG2 GLU 557 -6.392 -15.663 -0.384 53 HG3 GLU 557 HG1 GLU 557 -5.602 -16.338 -1.801 54 H GLU 558 HN GLU 558 -6.414 -16.161 1.430 55 HA GLU 558 HA GLU 558 -5.062 -18.201 2.887 56 HB2 GLU 558 HB2 GLU 558 -5.006 -15.176 2.997 57 HB3 GLU 558 HB1 GLU 558 -4.192 -16.094 4.254 58 HG2 GLU 558 HG2 GLU 558 -2.593 -15.462 2.570 59 HG3 GLU 558 HG1 GLU 558 -2.792 -17.209 2.577 60 H GLN 559 HN GLN 559 -7.875 -16.316 3.583 61 HA GLN 559 HA GLN 559 -7.870 -16.564 6.431 62 HB2 GLN 559 HB2 GLN 559 -8.994 -14.683 5.428 63 HB3 GLN 559 HB1 GLN 559 -9.990 -15.719 4.423 64 HG2 GLN 559 HG2 GLN 559 -10.244 -15.877 7.425 65 HG3 GLN 559 HG1 GLN 559 -10.987 -14.533 6.567 66 HE21 GLN 559 HE21 GLN 559 -12.068 -16.939 8.028 67 HE22 GLN 559 HE22 GLN 559 -13.239 -17.608 6.975 68 H LYS 560 HN LYS 560 -9.468 -18.385 3.788 69 HA LYS 560 HA LYS 560 -10.806 -20.215 5.581 70 HB2 LYS 560 HB2 LYS 560 -11.424 -21.512 3.625 71 HB3 LYS 560 HB1 LYS 560 -11.654 -19.807 3.264 72 HG2 LYS 560 HG2 LYS 560 -9.654 -19.764 1.897 73 HG3 LYS 560 HG1 LYS 560 -9.226 -21.403 2.388 74 HD2 LYS 560 HD2 LYS 560 -10.169 -21.388 0.119 75 HD3 LYS 560 HD1 LYS 560 -11.208 -22.295 1.218 76 HE2 LYS 560 HE2 LYS 560 -12.485 -20.852 -0.350 77 HE3 LYS 560 HE1 LYS 560 -12.773 -20.422 1.336 78 HZ1 LYS 560 HZ1 LYS 560 -10.880 -19.021 -0.466 79 HZ2 LYS 560 HZ2 LYS 560 -11.303 -18.563 1.107 80 HZ3 LYS 560 HZ3 LYS 560 -12.452 -18.499 -0.129 81 H LEU 561 HN LEU 561 -7.654 -20.100 3.995 82 HA LEU 561 HA LEU 561 -6.763 -22.740 4.600 83 HB2 LEU 561 HB2 LEU 561 -5.185 -20.169 4.194 84 HB3 LEU 561 HB1 LEU 561 -4.436 -21.748 4.376 85 HG LEU 561 HG LEU 561 -6.213 -20.854 2.071 86 HD11 LEU 561 HD11 LEU 561 -4.176 -21.096 0.706 87 HD12 LEU 561 HD12 LEU 561 -3.242 -21.479 2.154 88 HD13 LEU 561 HD13 LEU 561 -3.978 -19.883 1.972 89 HD21 LEU 561 HD21 LEU 561 -5.707 -23.047 1.045 90 HD22 LEU 561 HD22 LEU 561 -6.647 -23.203 2.526 91 HD23 LEU 561 HD23 LEU 561 -4.916 -23.560 2.539 92 H LEU 562 HN LEU 562 -6.872 -19.721 6.416 93 HA LEU 562 HA LEU 562 -5.277 -20.513 8.615 94 HB2 LEU 562 HB2 LEU 562 -5.890 -18.156 8.224 95 HB3 LEU 562 HB1 LEU 562 -7.577 -18.526 8.538 96 HG LEU 562 HG LEU 562 -7.022 -19.086 10.899 97 HD11 LEU 562 HD11 LEU 562 -4.828 -18.558 11.851 98 HD12 LEU 562 HD12 LEU 562 -4.194 -18.220 10.237 99 HD13 LEU 562 HD13 LEU 562 -4.726 -19.852 10.658 100 HD21 LEU 562 HD21 LEU 562 -7.734 -16.814 10.372 101 HD22 LEU 562 HD22 LEU 562 -6.061 -16.334 10.090 102 HD23 LEU 562 HD23 LEU 562 -6.579 -16.823 11.704 103 H GLU 563 HN GLU 563 -8.796 -20.681 8.052 104 HA GLU 563 HA GLU 563 -9.484 -21.851 10.567 105 HB2 GLU 563 HB2 GLU 563 -11.035 -21.925 7.940 106 HB3 GLU 563 HB1 GLU 563 -11.701 -22.243 9.547 107 HG2 GLU 563 HG2 GLU 563 -11.150 -19.926 10.198 108 HG3 GLU 563 HG1 GLU 563 -10.544 -19.620 8.573 109 H GLN 564 HN GLN 564 -8.719 -23.177 7.392 110 HA GLN 564 HA GLN 564 -9.027 -25.924 7.762 111 HB2 GLN 564 HB2 GLN 564 -8.407 -25.071 5.590 112 HB3 GLN 564 HB1 GLN 564 -6.990 -24.269 6.227 113 HG2 GLN 564 HG2 GLN 564 -6.269 -26.131 4.922 114 HG3 GLN 564 HG1 GLN 564 -5.938 -26.501 6.612 115 HE21 GLN 564 HE21 GLN 564 -7.102 -28.165 7.627 116 HE22 GLN 564 HE22 GLN 564 -8.018 -29.322 6.726 117 H ALA 565 HN ALA 565 -6.338 -23.802 8.605 118 HA ALA 565 HA ALA 565 -4.696 -25.896 9.709 119 HB1 ALA 565 HB1 ALA 565 -3.830 -23.926 8.433 120 HB2 ALA 565 HB2 ALA 565 -3.062 -24.138 10.004 121 HB3 ALA 565 HB3 ALA 565 -4.288 -22.885 9.784 122 H LEU 566 HN LEU 566 -7.000 -23.591 11.023 123 HA LEU 566 HA LEU 566 -6.060 -23.584 13.745 124 HB2 LEU 566 HB2 LEU 566 -8.695 -22.738 12.470 125 HB3 LEU 566 HB1 LEU 566 -8.422 -22.629 14.203 126 HG LEU 566 HG LEU 566 -6.762 -21.157 12.117 127 HD11 LEU 566 HD11 LEU 566 -9.016 -20.092 13.849 128 HD12 LEU 566 HD12 LEU 566 -9.030 -20.276 12.093 129 HD13 LEU 566 HD13 LEU 566 -7.939 -19.116 12.845 130 HD21 LEU 566 HD21 LEU 566 -6.808 -20.908 15.141 131 HD22 LEU 566 HD22 LEU 566 -5.890 -19.881 14.035 132 HD23 LEU 566 HD23 LEU 566 -5.507 -21.595 14.162 133 H LYS 567 HN LYS 567 -8.465 -25.363 11.900 134 HA LYS 567 HA LYS 567 -9.565 -26.699 14.243 135 HB2 LYS 567 HB2 LYS 567 -10.935 -25.761 12.304 136 HB3 LYS 567 HB1 LYS 567 -10.309 -27.072 11.311 137 HG2 LYS 567 HG2 LYS 567 -11.425 -28.722 12.689 138 HG3 LYS 567 HG1 LYS 567 -11.895 -27.493 13.864 139 HD2 LYS 567 HD2 LYS 567 -13.821 -28.065 12.465 140 HD3 LYS 567 HD1 LYS 567 -13.328 -26.401 12.144 141 HE2 LYS 567 HE2 LYS 567 -13.886 -27.601 10.061 142 HE3 LYS 567 HE1 LYS 567 -12.192 -27.114 10.085 143 HZ1 LYS 567 HZ1 LYS 567 -11.587 -29.352 10.709 144 HZ2 LYS 567 HZ2 LYS 567 -12.481 -29.372 9.279 145 HZ3 LYS 567 HZ3 LYS 567 -13.206 -29.827 10.736 146 H THR 568 HN THR 568 -7.301 -27.391 11.646 147 HA THR 568 HA THR 568 -7.273 -30.261 12.095 148 HB THR 568 HB THR 568 -5.423 -28.520 10.408 149 HG1 THR 568 HG1 THR 568 -7.712 -28.756 9.793 150 HG21 THR 568 HG21 THR 568 -4.273 -30.622 11.030 151 HG22 THR 568 HG22 THR 568 -4.711 -30.624 9.320 152 HG23 THR 568 HG23 THR 568 -5.664 -31.557 10.476 153 H TYR 569 HN TYR 569 -5.064 -27.508 12.792 154 HA TYR 569 HA TYR 569 -3.328 -29.228 14.428 155 HB2 TYR 569 HB2 TYR 569 -2.992 -26.249 13.854 156 HB3 TYR 569 HB1 TYR 569 -1.776 -27.346 14.505 157 HD1 TYR 569 HD2 TYR 569 -1.719 -29.638 12.770 158 HD2 TYR 569 HD1 TYR 569 -2.375 -25.551 11.699 159 HE1 TYR 569 HE2 TYR 569 -0.951 -30.118 10.489 160 HE2 TYR 569 HE1 TYR 569 -1.609 -26.043 9.403 161 HH TYR 569 HH TYR 569 -0.154 -27.733 8.272 162 HA PRO 570 HA PRO 570 -5.911 -27.902 17.968 163 HB2 PRO 570 HB2 PRO 570 -4.033 -29.579 19.580 164 HB3 PRO 570 HB1 PRO 570 -5.784 -29.725 19.386 165 HG2 PRO 570 HG2 PRO 570 -4.105 -31.498 18.258 166 HG3 PRO 570 HG1 PRO 570 -5.597 -30.994 17.433 167 HD2 PRO 570 HD2 PRO 570 -2.760 -30.033 16.980 168 HD3 PRO 570 HD1 PRO 570 -3.990 -30.504 15.781 169 H VAL 571 HN VAL 571 -5.655 -26.572 19.820 170 HA VAL 571 HA VAL 571 -3.508 -24.741 19.980 171 HB VAL 571 HB VAL 571 -5.766 -24.193 20.814 172 HG11 VAL 571 HG11 VAL 571 -5.264 -26.208 23.042 173 HG12 VAL 571 HG12 VAL 571 -6.437 -26.366 21.733 174 HG13 VAL 571 HG13 VAL 571 -6.643 -25.106 22.950 175 HG21 VAL 571 HG21 VAL 571 -5.174 -23.060 22.943 176 HG22 VAL 571 HG22 VAL 571 -3.900 -22.873 21.739 177 HG23 VAL 571 HG23 VAL 571 -3.703 -24.033 23.054 178 H ASN 572 HN ASN 572 -4.033 -27.865 21.391 179 HA ASN 572 HA ASN 572 -2.178 -27.907 23.519 180 HB2 ASN 572 HB2 ASN 572 -3.060 -30.248 21.767 181 HB3 ASN 572 HB1 ASN 572 -2.387 -30.360 23.392 182 HD21 ASN 572 HD21 ASN 572 -3.711 -29.815 25.174 183 HD22 ASN 572 HD22 ASN 572 -5.424 -29.655 25.017 184 H THR 573 HN THR 573 -1.708 -28.078 20.058 185 HA THR 573 HA THR 573 0.975 -29.133 20.098 186 HB THR 573 HB THR 573 -0.441 -27.562 17.883 187 HG1 THR 573 HG1 THR 573 -0.848 -29.711 17.045 188 HG21 THR 573 HG21 THR 573 1.165 -28.617 16.357 189 HG22 THR 573 HG22 THR 573 1.920 -29.477 17.702 190 HG23 THR 573 HG23 THR 573 2.042 -27.718 17.600 191 HA PRO 574 HA PRO 574 2.755 -25.037 21.352 192 HB2 PRO 574 HB2 PRO 574 5.330 -26.545 21.024 193 HB3 PRO 574 HB1 PRO 574 4.732 -25.627 22.414 194 HG2 PRO 574 HG2 PRO 574 4.772 -28.293 22.484 195 HG3 PRO 574 HG1 PRO 574 3.399 -27.404 23.177 196 HD2 PRO 574 HD2 PRO 574 3.586 -28.788 20.496 197 HD3 PRO 574 HD1 PRO 574 2.281 -28.853 21.705 198 H GLU 575 HN GLU 575 3.351 -26.948 18.521 199 HA GLU 575 HA GLU 575 4.589 -24.686 17.068 200 HB2 GLU 575 HB2 GLU 575 4.501 -27.664 16.388 201 HB3 GLU 575 HB1 GLU 575 5.264 -26.420 15.395 202 HG2 GLU 575 HG2 GLU 575 6.858 -25.941 17.206 203 HG3 GLU 575 HG1 GLU 575 6.092 -27.162 18.220 204 H ARG 576 HN ARG 576 1.658 -25.058 17.723 205 HA ARG 576 HA ARG 576 0.116 -25.884 15.534 206 HB2 ARG 576 HB2 ARG 576 -0.795 -25.264 17.813 207 HB3 ARG 576 HB1 ARG 576 -0.531 -23.568 17.418 208 HG2 ARG 576 HG2 ARG 576 -2.108 -24.023 15.372 209 HG3 ARG 576 HG1 ARG 576 -2.561 -25.490 16.244 210 HD2 ARG 576 HD2 ARG 576 -3.067 -23.934 18.239 211 HD3 ARG 576 HD1 ARG 576 -2.939 -22.612 17.070 212 HE ARG 576 HE ARG 576 -4.760 -24.517 16.071 213 HH11 ARG 576 HH11 ARG 576 -4.542 -22.143 18.657 214 HH12 ARG 576 HH12 ARG 576 -6.256 -21.971 18.804 215 HH21 ARG 576 HH21 ARG 576 -7.019 -24.294 16.300 216 HH22 ARG 576 HH22 ARG 576 -7.657 -23.194 17.474 217 H TRP 577 HN TRP 577 1.041 -22.543 16.389 218 HA TRP 577 HA TRP 577 0.081 -21.312 14.027 219 HB2 TRP 577 HB2 TRP 577 2.133 -20.259 16.026 220 HB3 TRP 577 HB1 TRP 577 1.230 -19.289 14.867 221 HD1 TRP 577 HD1 TRP 577 1.064 -20.400 18.399 222 HE1 TRP 577 HE1 TRP 577 -1.257 -19.951 19.400 223 HE3 TRP 577 HE3 TRP 577 -1.505 -19.367 14.098 224 HZ2 TRP 577 HZ2 TRP 577 -3.845 -19.265 18.496 225 HZ3 TRP 577 HZ3 TRP 577 -3.895 -18.826 14.258 226 HH2 TRP 577 HH2 TRP 577 -5.047 -18.773 16.410 227 H LYS 578 HN LYS 578 3.091 -22.875 14.766 228 HA LYS 578 HA LYS 578 4.721 -21.774 12.668 229 HB2 LYS 578 HB2 LYS 578 4.984 -24.327 14.324 230 HB3 LYS 578 HB1 LYS 578 6.166 -23.853 13.116 231 HG2 LYS 578 HG2 LYS 578 6.991 -23.274 15.308 232 HG3 LYS 578 HG1 LYS 578 6.665 -21.793 14.408 233 HD2 LYS 578 HD2 LYS 578 4.606 -21.427 15.678 234 HD3 LYS 578 HD1 LYS 578 4.782 -22.986 16.486 235 HE2 LYS 578 HE2 LYS 578 5.446 -21.144 17.967 236 HE3 LYS 578 HE1 LYS 578 6.826 -22.179 17.609 237 HZ1 LYS 578 HZ1 LYS 578 7.403 -19.837 17.507 238 HZ2 LYS 578 HZ2 LYS 578 6.243 -19.573 16.307 239 HZ3 LYS 578 HZ3 LYS 578 7.580 -20.559 15.989 240 H LYS 579 HN LYS 579 2.665 -24.650 13.011 241 HA LYS 579 HA LYS 579 3.098 -25.672 10.349 242 HB2 LYS 579 HB2 LYS 579 1.006 -26.293 12.474 243 HB3 LYS 579 HB1 LYS 579 1.100 -27.139 10.931 244 HG2 LYS 579 HG2 LYS 579 3.302 -28.010 11.479 245 HG3 LYS 579 HG1 LYS 579 3.343 -27.068 12.976 246 HD2 LYS 579 HD2 LYS 579 1.519 -28.384 13.916 247 HD3 LYS 579 HD1 LYS 579 1.278 -29.228 12.382 248 HE2 LYS 579 HE2 LYS 579 3.786 -29.420 14.099 249 HE3 LYS 579 HE1 LYS 579 2.487 -30.613 14.047 250 HZ1 LYS 579 HZ1 LYS 579 2.944 -30.985 11.717 251 HZ2 LYS 579 HZ2 LYS 579 4.344 -31.240 12.629 252 HZ3 LYS 579 HZ3 LYS 579 4.169 -29.822 11.730 253 H ILE 580 HN ILE 580 0.883 -23.439 11.862 254 HA ILE 580 HA ILE 580 -0.993 -23.201 9.718 255 HB ILE 580 HB ILE 580 -0.348 -21.381 12.081 256 HG12 ILE 580 HG12 ILE 580 -2.645 -23.310 11.544 257 HG13 ILE 580 HG11 ILE 580 -1.354 -23.540 12.699 258 HG21 ILE 580 HG21 ILE 580 -1.253 -19.941 10.322 259 HG22 ILE 580 HG22 ILE 580 -2.428 -20.128 11.623 260 HG23 ILE 580 HG23 ILE 580 -2.635 -21.021 10.112 261 HD11 ILE 580 HD11 ILE 580 -3.500 -21.435 12.863 262 HD12 ILE 580 HD12 ILE 580 -2.241 -21.747 14.064 263 HD13 ILE 580 HD13 ILE 580 -3.470 -22.967 13.737 264 H ALA 581 HN ALA 581 2.122 -21.675 10.452 265 HA ALA 581 HA ALA 581 2.200 -19.674 8.459 266 HB1 ALA 581 HB1 ALA 581 4.657 -19.828 8.635 267 HB2 ALA 581 HB2 ALA 581 4.509 -21.368 9.492 268 HB3 ALA 581 HB3 ALA 581 3.908 -19.885 10.230 269 H GLU 582 HN GLU 582 2.657 -23.142 8.273 270 HA GLU 582 HA GLU 582 3.734 -23.195 5.586 271 HB2 GLU 582 HB2 GLU 582 2.650 -25.440 7.348 272 HB3 GLU 582 HB1 GLU 582 3.586 -25.657 5.866 273 HG2 GLU 582 HG2 GLU 582 5.526 -24.568 6.937 274 HG3 GLU 582 HG1 GLU 582 4.591 -24.341 8.418 275 H ALA 583 HN ALA 583 0.627 -23.947 7.154 276 HA ALA 583 HA ALA 583 -0.754 -24.740 4.768 277 HB1 ALA 583 HB1 ALA 583 -2.762 -24.750 6.187 278 HB2 ALA 583 HB2 ALA 583 -1.881 -23.914 7.470 279 HB3 ALA 583 HB3 ALA 583 -1.416 -25.553 7.002 280 H VAL 584 HN VAL 584 -0.101 -21.652 6.245 281 HA VAL 584 HA VAL 584 -1.871 -20.278 4.301 282 HB VAL 584 HB VAL 584 -1.111 -19.147 7.035 283 HG11 VAL 584 HG11 VAL 584 -1.677 -17.489 5.294 284 HG12 VAL 584 HG12 VAL 584 -2.876 -17.509 6.585 285 HG13 VAL 584 HG13 VAL 584 -3.235 -18.283 5.040 286 HG21 VAL 584 HG21 VAL 584 -2.512 -21.129 7.424 287 HG22 VAL 584 HG22 VAL 584 -3.730 -20.509 6.307 288 HG23 VAL 584 HG23 VAL 584 -3.396 -19.649 7.814 289 HA PRO 585 HA PRO 585 2.358 -18.636 3.360 290 HB2 PRO 585 HB2 PRO 585 1.978 -18.135 0.725 291 HB3 PRO 585 HB1 PRO 585 2.220 -19.781 1.331 292 HG2 PRO 585 HG2 PRO 585 -0.355 -18.395 0.587 293 HG3 PRO 585 HG1 PRO 585 0.174 -20.046 0.204 294 HD2 PRO 585 HD2 PRO 585 -1.538 -19.427 2.290 295 HD3 PRO 585 HD1 PRO 585 -0.499 -20.869 2.261 296 H GLY 586 HN GLY 586 3.077 -16.547 3.396 297 HA2 GLY 586 HA2 GLY 586 3.190 -14.305 2.826 298 HA3 GLY 586 HA1 GLY 586 1.542 -14.366 2.239 299 H ARG 587 HN ARG 587 0.894 -15.603 5.056 300 HA ARG 587 HA ARG 587 0.373 -12.977 6.318 301 HB2 ARG 587 HB2 ARG 587 -0.904 -15.677 6.944 302 HB3 ARG 587 HB1 ARG 587 -1.436 -14.094 7.523 303 HG2 ARG 587 HG2 ARG 587 -1.458 -15.018 4.632 304 HG3 ARG 587 HG1 ARG 587 -2.856 -15.009 5.705 305 HD2 ARG 587 HD2 ARG 587 -2.853 -12.598 5.796 306 HD3 ARG 587 HD1 ARG 587 -1.297 -12.512 4.952 307 HE ARG 587 HE ARG 587 -3.629 -13.726 3.624 308 HH11 ARG 587 HH11 ARG 587 -1.364 -11.042 3.722 309 HH12 ARG 587 HH12 ARG 587 -1.645 -10.600 2.069 310 HH21 ARG 587 HH21 ARG 587 -3.950 -13.170 1.464 311 HH22 ARG 587 HH22 ARG 587 -3.115 -11.806 0.795 312 H THR 588 HN THR 588 0.997 -12.522 8.448 313 HA THR 588 HA THR 588 3.084 -14.272 9.556 314 HB THR 588 HB THR 588 3.698 -12.420 11.039 315 HG1 THR 588 HG1 THR 588 1.557 -10.955 9.866 316 HG21 THR 588 HG21 THR 588 4.389 -10.712 9.391 317 HG22 THR 588 HG22 THR 588 3.270 -11.387 8.204 318 HG23 THR 588 HG23 THR 588 4.651 -12.339 8.757 319 H LYS 589 HN LYS 589 3.142 -14.655 11.889 320 HA LYS 589 HA LYS 589 0.790 -16.077 12.588 321 HB2 LYS 589 HB2 LYS 589 3.522 -15.755 13.751 322 HB3 LYS 589 HB1 LYS 589 2.276 -16.354 14.830 323 HG2 LYS 589 HG2 LYS 589 3.556 -18.170 13.814 324 HG3 LYS 589 HG1 LYS 589 1.850 -18.268 13.396 325 HD2 LYS 589 HD2 LYS 589 3.834 -16.989 11.488 326 HD3 LYS 589 HD1 LYS 589 3.687 -18.741 11.579 327 HE2 LYS 589 HE2 LYS 589 1.500 -16.780 10.786 328 HE3 LYS 589 HE1 LYS 589 2.327 -17.925 9.735 329 HZ1 LYS 589 HZ1 LYS 589 0.168 -18.746 10.341 330 HZ2 LYS 589 HZ2 LYS 589 0.512 -18.596 11.988 331 HZ3 LYS 589 HZ3 LYS 589 1.348 -19.728 11.053 332 H LYS 590 HN LYS 590 1.946 -12.923 13.597 333 HA LYS 590 HA LYS 590 0.393 -12.609 15.936 334 HB2 LYS 590 HB2 LYS 590 0.655 -10.154 15.556 335 HB3 LYS 590 HB1 LYS 590 2.178 -11.020 15.416 336 HG2 LYS 590 HG2 LYS 590 1.993 -10.917 12.938 337 HG3 LYS 590 HG1 LYS 590 0.486 -10.020 13.097 338 HD2 LYS 590 HD2 LYS 590 2.286 -8.466 12.603 339 HD3 LYS 590 HD1 LYS 590 1.719 -8.180 14.246 340 HE2 LYS 590 HE2 LYS 590 4.161 -9.880 13.647 341 HE3 LYS 590 HE1 LYS 590 4.258 -8.134 13.868 342 HZ1 LYS 590 HZ1 LYS 590 4.753 -9.141 15.935 343 HZ2 LYS 590 HZ2 LYS 590 3.414 -10.162 15.862 344 HZ3 LYS 590 HZ3 LYS 590 3.195 -8.502 16.093 345 H ASP 591 HN ASP 591 -0.317 -12.154 12.502 346 HA ASP 591 HA ASP 591 -2.961 -11.075 12.802 347 HB2 ASP 591 HB2 ASP 591 -1.538 -12.364 10.442 348 HB3 ASP 591 HB1 ASP 591 -3.156 -11.681 10.333 349 H CYS 592 HN CYS 592 -1.596 -14.300 12.389 350 HA CYS 592 HA CYS 592 -3.985 -15.750 11.937 351 HB2 CYS 592 HB2 CYS 592 -1.388 -16.701 13.211 352 HB3 CYS 592 HB1 CYS 592 -2.645 -17.751 12.553 353 HG CYS 592 HG CYS 592 -1.429 -15.470 10.401 354 H MET 593 HN MET 593 -2.238 -14.881 14.880 355 HA MET 593 HA MET 593 -3.874 -16.314 16.744 356 HB2 MET 593 HB2 MET 593 -1.945 -13.988 17.172 357 HB3 MET 593 HB1 MET 593 -2.687 -14.917 18.470 358 HG2 MET 593 HG2 MET 593 -1.509 -16.911 17.805 359 HG3 MET 593 HG1 MET 593 -0.901 -16.121 16.346 360 HE1 MET 593 HE1 MET 593 2.491 -16.245 18.103 361 HE2 MET 593 HE2 MET 593 1.637 -16.282 16.559 362 HE3 MET 593 HE3 MET 593 1.291 -17.500 17.792 363 H LYS 594 HN LYS 594 -3.683 -12.905 15.715 364 HA LYS 594 HA LYS 594 -5.662 -11.844 17.410 365 HB2 LYS 594 HB2 LYS 594 -4.079 -10.372 16.271 366 HB3 LYS 594 HB1 LYS 594 -4.680 -10.869 14.693 367 HG2 LYS 594 HG2 LYS 594 -6.814 -9.764 15.092 368 HG3 LYS 594 HG1 LYS 594 -6.349 -9.379 16.751 369 HD2 LYS 594 HD2 LYS 594 -4.958 -8.312 14.258 370 HD3 LYS 594 HD1 LYS 594 -6.189 -7.437 15.176 371 HE2 LYS 594 HE2 LYS 594 -3.492 -8.338 16.261 372 HE3 LYS 594 HE1 LYS 594 -3.899 -6.697 15.756 373 HZ1 LYS 594 HZ1 LYS 594 -5.179 -8.192 17.991 374 HZ2 LYS 594 HZ2 LYS 594 -5.581 -6.625 17.499 375 HZ3 LYS 594 HZ3 LYS 594 -4.051 -6.938 18.143 376 H ARG 595 HN ARG 595 -5.889 -13.200 14.134 377 HA ARG 595 HA ARG 595 -8.583 -12.454 13.655 378 HB2 ARG 595 HB2 ARG 595 -6.788 -13.076 11.933 379 HB3 ARG 595 HB1 ARG 595 -7.086 -14.759 12.337 380 HG2 ARG 595 HG2 ARG 595 -9.280 -12.916 11.322 381 HG3 ARG 595 HG1 ARG 595 -8.224 -13.814 10.230 382 HD2 ARG 595 HD2 ARG 595 -9.034 -15.909 11.055 383 HD3 ARG 595 HD1 ARG 595 -9.895 -15.133 12.378 384 HE ARG 595 HE ARG 595 -11.145 -14.025 10.343 385 HH11 ARG 595 HH11 ARG 595 -10.075 -17.344 10.500 386 HH12 ARG 595 HH12 ARG 595 -11.573 -17.984 9.920 387 HH21 ARG 595 HH21 ARG 595 -13.126 -14.895 9.566 388 HH22 ARG 595 HH22 ARG 595 -13.298 -16.614 9.389 389 H TYR 596 HN TYR 596 -7.114 -15.532 14.774 390 HA TYR 596 HA TYR 596 -9.538 -16.985 15.122 391 HB2 TYR 596 HB2 TYR 596 -7.388 -18.131 14.996 392 HB3 TYR 596 HB1 TYR 596 -6.818 -17.324 16.454 393 HD1 TYR 596 HD2 TYR 596 -9.814 -19.414 15.455 394 HD2 TYR 596 HD1 TYR 596 -6.767 -18.719 18.368 395 HE1 TYR 596 HE2 TYR 596 -10.662 -21.297 16.789 396 HE2 TYR 596 HE1 TYR 596 -7.624 -20.593 19.709 397 HH TYR 596 HH TYR 596 -9.950 -22.822 18.504 398 H LYS 597 HN LYS 597 -7.702 -14.883 17.245 399 HA LYS 597 HA LYS 597 -8.980 -15.189 19.701 400 HB2 LYS 597 HB2 LYS 597 -7.028 -13.897 19.774 401 HB3 LYS 597 HB1 LYS 597 -7.446 -12.983 18.336 402 HG2 LYS 597 HG2 LYS 597 -9.150 -11.733 19.699 403 HG3 LYS 597 HG1 LYS 597 -8.555 -12.582 21.128 404 HD2 LYS 597 HD2 LYS 597 -6.346 -11.553 20.859 405 HD3 LYS 597 HD1 LYS 597 -6.851 -10.808 19.339 406 HE2 LYS 597 HE2 LYS 597 -6.877 -9.179 21.191 407 HE3 LYS 597 HE1 LYS 597 -8.494 -9.429 20.534 408 HZ1 LYS 597 HZ1 LYS 597 -7.455 -10.721 22.994 409 HZ2 LYS 597 HZ2 LYS 597 -9.029 -10.834 22.377 410 HZ3 LYS 597 HZ3 LYS 597 -8.458 -9.359 22.957 411 H GLU 598 HN GLU 598 -9.748 -12.989 17.013 412 HA GLU 598 HA GLU 598 -11.981 -11.710 18.151 413 HB2 GLU 598 HB2 GLU 598 -11.400 -12.192 15.198 414 HB3 GLU 598 HB1 GLU 598 -12.572 -11.037 15.837 415 HG2 GLU 598 HG2 GLU 598 -9.555 -10.935 16.120 416 HG3 GLU 598 HG1 GLU 598 -10.559 -9.888 15.134 417 H LEU 599 HN LEU 599 -11.755 -14.582 16.001 418 HA LEU 599 HA LEU 599 -14.416 -15.121 15.471 419 HB2 LEU 599 HB2 LEU 599 -12.174 -17.112 15.971 420 HB3 LEU 599 HB1 LEU 599 -13.747 -17.574 15.333 421 HG LEU 599 HG LEU 599 -11.674 -15.811 13.967 422 HD11 LEU 599 HD11 LEU 599 -11.138 -18.191 13.870 423 HD12 LEU 599 HD12 LEU 599 -11.624 -17.614 12.276 424 HD13 LEU 599 HD13 LEU 599 -12.750 -18.564 13.251 425 HD21 LEU 599 HD21 LEU 599 -13.908 -14.922 13.493 426 HD22 LEU 599 HD22 LEU 599 -14.465 -16.521 12.995 427 HD23 LEU 599 HD23 LEU 599 -13.225 -15.686 12.058 428 H VAL 600 HN VAL 600 -12.523 -16.308 18.229 429 HA VAL 600 HA VAL 600 -14.580 -17.857 19.411 430 HB VAL 600 HB VAL 600 -12.102 -16.673 20.763 431 HG11 VAL 600 HG11 VAL 600 -12.349 -18.519 22.405 432 HG12 VAL 600 HG12 VAL 600 -13.844 -19.026 21.618 433 HG13 VAL 600 HG13 VAL 600 -13.763 -17.456 22.419 434 HG21 VAL 600 HG21 VAL 600 -11.493 -18.034 18.793 435 HG22 VAL 600 HG22 VAL 600 -12.455 -19.381 19.410 436 HG23 VAL 600 HG23 VAL 600 -11.017 -18.847 20.285 437 H GLU 601 HN GLU 601 -13.328 -14.577 20.257 438 HA GLU 601 HA GLU 601 -15.055 -14.202 22.472 439 HB2 GLU 601 HB2 GLU 601 -13.548 -12.164 20.783 440 HB3 GLU 601 HB1 GLU 601 -14.388 -11.771 22.288 441 HG2 GLU 601 HG2 GLU 601 -12.919 -13.368 23.495 442 HG3 GLU 601 HG1 GLU 601 -12.052 -13.693 21.995 443 H MET 602 HN MET 602 -15.551 -13.542 19.031 444 HA MET 602 HA MET 602 -17.904 -11.915 19.356 445 HB2 MET 602 HB2 MET 602 -16.875 -13.452 16.944 446 HB3 MET 602 HB1 MET 602 -18.271 -12.382 16.902 447 HG2 MET 602 HG2 MET 602 -16.806 -10.483 17.526 448 HG3 MET 602 HG1 MET 602 -15.413 -11.568 17.492 449 HE1 MET 602 HE1 MET 602 -14.828 -13.023 15.175 450 HE2 MET 602 HE2 MET 602 -15.566 -12.649 13.617 451 HE3 MET 602 HE3 MET 602 -16.522 -13.411 14.887 452 H VAL 603 HN VAL 603 -17.351 -15.401 18.652 453 HA VAL 603 HA VAL 603 -20.164 -15.999 18.505 454 HB VAL 603 HB VAL 603 -19.578 -18.377 18.449 455 HG11 VAL 603 HG11 VAL 603 -18.195 -18.411 16.400 456 HG12 VAL 603 HG12 VAL 603 -17.712 -16.739 16.698 457 HG13 VAL 603 HG13 VAL 603 -19.399 -17.121 16.350 458 HG21 VAL 603 HG21 VAL 603 -17.769 -18.463 20.108 459 HG22 VAL 603 HG22 VAL 603 -16.705 -17.569 19.023 460 HG23 VAL 603 HG23 VAL 603 -17.243 -19.192 18.584 461 H LYS 604 HN LYS 604 -17.876 -15.728 21.146 462 HA LYS 604 HA LYS 604 -19.519 -17.013 23.133 463 HB2 LYS 604 HB2 LYS 604 -17.332 -14.913 23.502 464 HB3 LYS 604 HB1 LYS 604 -18.115 -15.786 24.816 465 HG2 LYS 604 HG2 LYS 604 -16.297 -16.918 22.680 466 HG3 LYS 604 HG1 LYS 604 -15.961 -16.772 24.405 467 HD2 LYS 604 HD2 LYS 604 -17.687 -18.463 24.895 468 HD3 LYS 604 HD1 LYS 604 -18.110 -18.558 23.182 469 HE2 LYS 604 HE2 LYS 604 -15.803 -19.384 22.697 470 HE3 LYS 604 HE1 LYS 604 -15.458 -19.366 24.430 471 HZ1 LYS 604 HZ1 LYS 604 -17.523 -20.995 23.064 472 HZ2 LYS 604 HZ2 LYS 604 -17.275 -20.953 24.736 473 HZ3 LYS 604 HZ3 LYS 604 -16.067 -21.556 23.715 474 H ALA 605 HN ALA 605 -19.171 -13.712 21.876 475 HA ALA 605 HA ALA 605 -20.809 -12.377 23.769 476 HB1 ALA 605 HB1 ALA 605 -20.831 -10.512 22.148 477 HB2 ALA 605 HB2 ALA 605 -20.176 -11.578 20.900 478 HB3 ALA 605 HB3 ALA 605 -19.207 -11.183 22.321 479 H LYS 606 HN LYS 606 -21.507 -13.605 20.498 480 HA LYS 606 HA LYS 606 -24.239 -12.826 20.399 481 HB2 LYS 606 HB2 LYS 606 -22.743 -14.933 18.785 482 HB3 LYS 606 HB1 LYS 606 -24.365 -14.349 18.404 483 HG2 LYS 606 HG2 LYS 606 -23.475 -12.101 17.979 484 HG3 LYS 606 HG1 LYS 606 -21.851 -12.640 18.434 485 HD2 LYS 606 HD2 LYS 606 -21.840 -14.228 16.546 486 HD3 LYS 606 HD1 LYS 606 -23.475 -13.734 16.098 487 HE2 LYS 606 HE2 LYS 606 -22.654 -11.462 15.589 488 HE3 LYS 606 HE1 LYS 606 -21.025 -11.931 16.086 489 HZ1 LYS 606 HZ1 LYS 606 -21.331 -11.979 13.680 490 HZ2 LYS 606 HZ2 LYS 606 -22.537 -13.152 13.842 491 HZ3 LYS 606 HZ3 LYS 606 -20.944 -13.506 14.291 492 H LYS 607 HN LYS 607 -22.733 -16.068 20.798 493 HA LYS 607 HA LYS 607 -25.208 -17.432 21.004 494 HB2 LYS 607 HB2 LYS 607 -23.179 -18.574 20.220 495 HB3 LYS 607 HB1 LYS 607 -22.426 -18.377 21.797 496 HG2 LYS 607 HG2 LYS 607 -23.212 -20.667 21.511 497 HG3 LYS 607 HG1 LYS 607 -24.107 -19.866 22.806 498 HD2 LYS 607 HD2 LYS 607 -25.941 -19.410 21.058 499 HD3 LYS 607 HD1 LYS 607 -25.069 -20.520 19.992 500 HE2 LYS 607 HE2 LYS 607 -26.301 -21.165 22.699 501 HE3 LYS 607 HE1 LYS 607 -26.860 -21.719 21.119 502 HZ1 LYS 607 HZ1 LYS 607 -24.741 -22.920 20.880 503 HZ2 LYS 607 HZ2 LYS 607 -25.639 -23.459 22.210 504 HZ3 LYS 607 HZ3 LYS 607 -24.301 -22.451 22.445 505 H ALA 608 HN ALA 608 -23.111 -16.008 23.496 506 HA ALA 608 HA ALA 608 -24.302 -17.204 25.774 507 HB1 ALA 608 HB1 ALA 608 -22.234 -15.877 25.924 508 HB2 ALA 608 HB2 ALA 608 -23.451 -15.285 27.058 509 HB3 ALA 608 HB3 ALA 608 -23.134 -14.409 25.553 510 H ALA 609 HN ALA 609 -25.081 -14.199 24.034 511 HA ALA 609 HA ALA 609 -27.311 -13.390 25.577 512 HB1 ALA 609 HB1 ALA 609 -26.147 -11.874 24.018 513 HB2 ALA 609 HB2 ALA 609 -27.876 -11.935 23.660 514 HB3 ALA 609 HB3 ALA 609 -26.726 -12.818 22.647 515 H GLN 610 HN GLN 610 -27.066 -15.328 22.623 516 HA GLN 610 HA GLN 610 -29.795 -15.780 22.100 517 HB2 GLN 610 HB2 GLN 610 -27.345 -17.444 21.386 518 HB3 GLN 610 HB1 GLN 610 -28.954 -17.739 20.725 519 HG2 GLN 610 HG2 GLN 610 -28.943 -15.552 19.635 520 HG3 GLN 610 HG1 GLN 610 -27.392 -15.160 20.379 521 HE21 GLN 610 HE21 GLN 610 -28.988 -17.145 17.959 522 HE22 GLN 610 HE22 GLN 610 -27.560 -17.553 17.080 523 H GLU 611 HN GLU 611 -27.518 -17.467 24.175 524 HA GLU 611 HA GLU 611 -29.217 -19.751 24.668 525 HB2 GLU 611 HB2 GLU 611 -26.737 -19.904 24.711 526 HB3 GLU 611 HB1 GLU 611 -26.683 -18.829 26.104 527 HG2 GLU 611 HG2 GLU 611 -27.835 -20.501 27.472 528 HG3 GLU 611 HG1 GLU 611 -28.020 -21.556 26.072 529 H GLN 612 HN GLN 612 -28.491 -16.669 26.268 530 HA GLN 612 HA GLN 612 -29.869 -17.177 28.721 531 HB2 GLN 612 HB2 GLN 612 -29.133 -14.551 27.369 532 HB3 GLN 612 HB1 GLN 612 -29.826 -14.654 28.985 533 HG2 GLN 612 HG2 GLN 612 -27.167 -15.846 28.142 534 HG3 GLN 612 HG1 GLN 612 -27.368 -14.323 29.001 535 HE21 GLN 612 HE21 GLN 612 -25.897 -16.748 29.796 536 HE22 GLN 612 HE22 GLN 612 -26.572 -17.240 31.311 537 H VAL 613 HN VAL 613 -30.851 -15.800 25.586 538 HA VAL 613 HA VAL 613 -33.527 -15.086 26.261 539 HB VAL 613 HB VAL 613 -32.452 -15.975 23.537 540 HG11 VAL 613 HG11 VAL 613 -35.030 -14.463 24.170 541 HG12 VAL 613 HG12 VAL 613 -34.927 -16.136 23.614 542 HG13 VAL 613 HG13 VAL 613 -34.418 -14.822 22.552 543 HG21 VAL 613 HG21 VAL 613 -31.268 -13.984 24.390 544 HG22 VAL 613 HG22 VAL 613 -32.807 -13.158 24.632 545 HG23 VAL 613 HG23 VAL 613 -32.273 -13.575 23.001 546 H LEU 614 HN LEU 614 -32.181 -17.994 24.684 547 HA LEU 614 HA LEU 614 -34.503 -19.533 24.419 548 HB2 LEU 614 HB2 LEU 614 -32.333 -20.003 23.293 549 HB3 LEU 614 HB1 LEU 614 -31.634 -20.470 24.832 550 HG LEU 614 HG LEU 614 -33.219 -22.405 24.950 551 HD11 LEU 614 HD11 LEU 614 -34.066 -21.586 22.153 552 HD12 LEU 614 HD12 LEU 614 -35.064 -21.528 23.610 553 HD13 LEU 614 HD13 LEU 614 -34.517 -23.080 22.982 554 HD21 LEU 614 HD21 LEU 614 -31.524 -22.349 22.426 555 HD22 LEU 614 HD22 LEU 614 -32.116 -23.795 23.251 556 HD23 LEU 614 HD23 LEU 614 -30.956 -22.739 24.054 557 H ASN 615 HN ASN 615 -32.244 -19.245 27.104 558 HA ASN 615 HA ASN 615 -33.170 -21.294 28.794 559 HB2 ASN 615 HB2 ASN 615 -31.018 -20.267 29.196 560 HB3 ASN 615 HB1 ASN 615 -31.728 -18.671 29.354 561 HD21 ASN 615 HD21 ASN 615 -32.646 -18.059 31.300 562 HD22 ASN 615 HD22 ASN 615 -32.475 -18.976 32.750 563 H ALA 616 HN ALA 616 -34.121 -17.885 28.509 564 HA ALA 616 HA ALA 616 -35.879 -17.994 30.836 565 HB1 ALA 616 HB1 ALA 616 -34.395 -16.054 30.473 566 HB2 ALA 616 HB2 ALA 616 -36.093 -15.574 30.501 567 HB3 ALA 616 HB3 ALA 616 -35.235 -15.694 28.962 568 H SER 617 HN SER 617 -36.236 -18.280 27.386 569 HA SER 617 HA SER 617 -38.830 -17.006 27.188 570 HB2 SER 617 HB2 SER 617 -38.678 -17.740 24.770 571 HB3 SER 617 HB1 SER 617 -37.309 -16.778 25.328 572 HG SER 617 HG SER 617 -36.078 -18.374 24.820 573 H ARG 618 HN ARG 618 -37.653 -20.378 27.124 574 HA ARG 618 HA ARG 618 -40.413 -21.401 26.962 575 HB2 ARG 618 HB2 ARG 618 -39.238 -23.672 26.710 576 HB3 ARG 618 HB1 ARG 618 -39.061 -22.537 25.388 577 HG2 ARG 618 HG2 ARG 618 -36.952 -23.620 25.711 578 HG3 ARG 618 HG1 ARG 618 -36.785 -21.951 26.241 579 HD2 ARG 618 HD2 ARG 618 -36.984 -22.711 28.602 580 HD3 ARG 618 HD1 ARG 618 -37.105 -24.382 28.035 581 HE ARG 618 HE ARG 618 -34.763 -23.333 26.956 582 HH11 ARG 618 HH11 ARG 618 -35.983 -23.978 30.190 583 HH12 ARG 618 HH12 ARG 618 -34.409 -24.287 30.847 584 HH21 ARG 618 HH21 ARG 618 -32.711 -23.751 27.837 585 HH22 ARG 618 HH22 ARG 618 -32.558 -24.149 29.517 586 H ALA 619 HN ALA 619 -38.860 -20.220 29.433 587 HA ALA 619 HA ALA 619 -39.633 -22.307 31.362 588 HB1 ALA 619 HB1 ALA 619 -36.833 -21.128 31.267 589 HB2 ALA 619 HB2 ALA 619 -37.277 -22.778 30.821 590 HB3 ALA 619 HB3 ALA 619 -37.451 -22.240 32.491 591 H LYS 620 HN LYS 620 -38.994 -21.418 33.692 592 HA LYS 620 HA LYS 620 -39.786 -18.609 33.982 593 HB2 LYS 620 HB2 LYS 620 -41.657 -19.215 35.541 594 HB3 LYS 620 HB1 LYS 620 -41.956 -19.687 33.878 595 HG2 LYS 620 HG2 LYS 620 -40.954 -21.646 35.976 596 HG3 LYS 620 HG1 LYS 620 -42.673 -21.335 35.710 597 HD2 LYS 620 HD2 LYS 620 -42.407 -22.078 33.338 598 HD3 LYS 620 HD1 LYS 620 -40.705 -22.423 33.654 599 HE2 LYS 620 HE2 LYS 620 -41.903 -24.502 33.755 600 HE3 LYS 620 HE1 LYS 620 -41.448 -24.081 35.403 601 HZ1 LYS 620 HZ1 LYS 620 -43.727 -24.891 35.237 602 HZ2 LYS 620 HZ2 LYS 620 -44.122 -23.612 34.202 603 HZ3 LYS 620 HZ3 LYS 620 -43.676 -23.302 35.803 604 H LYS 621 HN LYS 621 -37.535 -20.680 34.719 605 HA LYS 621 HA LYS 621 -37.203 -20.410 37.556 606 HB2 LYS 621 HB2 LYS 621 -35.209 -21.046 35.334 607 HB3 LYS 621 HB1 LYS 621 -34.769 -21.026 37.039 608 HG2 LYS 621 HG2 LYS 621 -36.880 -22.841 35.824 609 HG3 LYS 621 HG1 LYS 621 -35.204 -23.313 36.127 610 HD2 LYS 621 HD2 LYS 621 -35.522 -22.974 38.546 611 HD3 LYS 621 HD1 LYS 621 -37.166 -22.389 38.271 612 HE2 LYS 621 HE2 LYS 621 -37.198 -24.704 39.062 613 HE3 LYS 621 HE1 LYS 621 -37.810 -24.618 37.413 614 HZ1 LYS 621 HZ1 LYS 621 -35.075 -25.471 38.206 615 HZ2 LYS 621 HZ2 LYS 621 -35.657 -25.390 36.618 616 HZ3 LYS 621 HZ3 LYS 621 -36.332 -26.487 37.711 Start of MODEL 12 1 H PHE 551 HN PHE 551 -0.556 -2.420 5.266 2 HA PHE 551 HA PHE 551 -0.210 -5.028 4.009 3 HB2 PHE 551 HB2 PHE 551 0.672 -4.548 6.295 4 HB3 PHE 551 HB1 PHE 551 -0.967 -4.308 6.883 5 HD1 PHE 551 HD2 PHE 551 1.263 -6.883 5.306 6 HD2 PHE 551 HD1 PHE 551 -2.192 -6.176 7.729 7 HE1 PHE 551 HE2 PHE 551 1.114 -9.290 5.804 8 HE2 PHE 551 HE1 PHE 551 -2.330 -8.583 8.221 9 HZ PHE 551 HZ PHE 551 -0.683 -10.137 7.257 10 H THR 552 HN THR 552 -1.808 -6.130 3.101 11 HA THR 552 HA THR 552 -4.566 -5.337 3.170 12 HB THR 552 HB THR 552 -4.870 -7.409 1.712 13 HG1 THR 552 HG1 THR 552 -2.144 -7.727 1.375 14 HG21 THR 552 HG21 THR 552 -4.345 -5.207 0.660 15 HG22 THR 552 HG22 THR 552 -3.634 -6.551 -0.235 16 HG23 THR 552 HG23 THR 552 -2.620 -5.561 0.813 17 HA PRO 553 HA PRO 553 -5.726 -8.070 6.599 18 HB2 PRO 553 HB2 PRO 553 -8.421 -7.984 6.436 19 HB3 PRO 553 HB1 PRO 553 -7.484 -6.547 6.880 20 HG2 PRO 553 HG2 PRO 553 -8.649 -7.298 4.196 21 HG3 PRO 553 HG1 PRO 553 -8.706 -5.732 5.034 22 HD2 PRO 553 HD2 PRO 553 -6.886 -6.323 3.051 23 HD3 PRO 553 HD1 PRO 553 -6.564 -5.149 4.347 24 H TRP 554 HN TRP 554 -7.268 -9.986 6.974 25 HA TRP 554 HA TRP 554 -6.489 -12.140 5.330 26 HB2 TRP 554 HB2 TRP 554 -8.533 -11.919 7.577 27 HB3 TRP 554 HB1 TRP 554 -8.131 -13.448 6.798 28 HD1 TRP 554 HD1 TRP 554 -6.466 -10.725 9.022 29 HE1 TRP 554 HE1 TRP 554 -4.461 -11.813 10.221 30 HE3 TRP 554 HE3 TRP 554 -6.543 -15.285 6.743 31 HZ2 TRP 554 HZ2 TRP 554 -3.082 -14.270 10.166 32 HZ3 TRP 554 HZ3 TRP 554 -4.853 -16.950 7.371 33 HH2 TRP 554 HH2 TRP 554 -3.156 -16.455 9.053 34 H THR 555 HN THR 555 -7.193 -12.264 3.288 35 HA THR 555 HA THR 555 -9.843 -11.620 2.385 36 HB THR 555 HB THR 555 -9.103 -12.614 0.229 37 HG1 THR 555 HG1 THR 555 -6.571 -13.154 0.638 38 HG21 THR 555 HG21 THR 555 -6.954 -10.854 1.486 39 HG22 THR 555 HG22 THR 555 -8.420 -10.278 0.685 40 HG23 THR 555 HG23 THR 555 -7.182 -11.128 -0.242 41 H THR 556 HN THR 556 -11.021 -13.467 1.017 42 HA THR 556 HA THR 556 -12.044 -15.375 2.799 43 HB THR 556 HB THR 556 -12.184 -15.530 -0.248 44 HG1 THR 556 HG1 THR 556 -13.820 -14.053 -0.139 45 HG21 THR 556 HG21 THR 556 -14.145 -16.480 1.893 46 HG22 THR 556 HG22 THR 556 -13.121 -17.525 0.901 47 HG23 THR 556 HG23 THR 556 -14.399 -16.571 0.148 48 H GLU 557 HN GLU 557 -9.510 -15.647 0.328 49 HA GLU 557 HA GLU 557 -9.165 -18.492 0.555 50 HB2 GLU 557 HB2 GLU 557 -6.968 -18.022 -0.740 51 HB3 GLU 557 HB1 GLU 557 -8.500 -17.728 -1.551 52 HG2 GLU 557 HG2 GLU 557 -7.226 -15.393 -0.164 53 HG3 GLU 557 HG1 GLU 557 -6.436 -15.988 -1.616 54 H GLU 558 HN GLU 558 -7.320 -15.654 1.812 55 HA GLU 558 HA GLU 558 -5.349 -17.053 3.242 56 HB2 GLU 558 HB2 GLU 558 -6.522 -14.300 3.509 57 HB3 GLU 558 HB1 GLU 558 -5.691 -14.906 4.925 58 HG2 GLU 558 HG2 GLU 558 -4.021 -13.737 3.858 59 HG3 GLU 558 HG1 GLU 558 -3.701 -15.393 3.361 60 H GLN 559 HN GLN 559 -8.629 -16.184 4.158 61 HA GLN 559 HA GLN 559 -8.655 -17.037 6.827 62 HB2 GLN 559 HB2 GLN 559 -10.866 -16.684 4.783 63 HB3 GLN 559 HB1 GLN 559 -11.221 -17.316 6.384 64 HG2 GLN 559 HG2 GLN 559 -9.777 -14.688 6.045 65 HG3 GLN 559 HG1 GLN 559 -11.528 -14.785 5.914 66 HE21 GLN 559 HE21 GLN 559 -9.584 -16.695 8.248 67 HE22 GLN 559 HE22 GLN 559 -10.201 -15.905 9.642 68 H LYS 560 HN LYS 560 -9.734 -18.766 3.872 69 HA LYS 560 HA LYS 560 -10.562 -21.142 5.060 70 HB2 LYS 560 HB2 LYS 560 -9.418 -20.605 2.304 71 HB3 LYS 560 HB1 LYS 560 -10.024 -22.193 2.768 72 HG2 LYS 560 HG2 LYS 560 -12.262 -21.279 3.131 73 HG3 LYS 560 HG1 LYS 560 -11.675 -19.646 2.807 74 HD2 LYS 560 HD2 LYS 560 -12.871 -20.593 0.866 75 HD3 LYS 560 HD1 LYS 560 -11.184 -20.241 0.481 76 HE2 LYS 560 HE2 LYS 560 -10.633 -22.649 0.784 77 HE3 LYS 560 HE1 LYS 560 -12.331 -22.988 1.132 78 HZ1 LYS 560 HZ1 LYS 560 -12.878 -22.207 -1.097 79 HZ2 LYS 560 HZ2 LYS 560 -11.789 -23.497 -1.143 80 HZ3 LYS 560 HZ3 LYS 560 -11.242 -21.920 -1.412 81 H LEU 561 HN LEU 561 -7.306 -20.252 3.981 82 HA LEU 561 HA LEU 561 -5.979 -22.710 4.476 83 HB2 LEU 561 HB2 LEU 561 -4.872 -19.878 4.529 84 HB3 LEU 561 HB1 LEU 561 -3.902 -21.344 4.422 85 HG LEU 561 HG LEU 561 -5.864 -20.366 2.302 86 HD11 LEU 561 HD11 LEU 561 -3.896 -19.855 0.944 87 HD12 LEU 561 HD12 LEU 561 -2.834 -20.323 2.276 88 HD13 LEU 561 HD13 LEU 561 -3.901 -18.925 2.443 89 HD21 LEU 561 HD21 LEU 561 -4.948 -22.148 0.873 90 HD22 LEU 561 HD22 LEU 561 -5.724 -22.812 2.308 91 HD23 LEU 561 HD23 LEU 561 -3.962 -22.735 2.215 92 H LEU 562 HN LEU 562 -6.647 -19.887 6.500 93 HA LEU 562 HA LEU 562 -5.148 -20.670 8.803 94 HB2 LEU 562 HB2 LEU 562 -5.803 -18.322 8.343 95 HB3 LEU 562 HB1 LEU 562 -7.494 -18.745 8.532 96 HG LEU 562 HG LEU 562 -7.013 -19.311 10.957 97 HD11 LEU 562 HD11 LEU 562 -4.313 -18.039 10.426 98 HD12 LEU 562 HD12 LEU 562 -4.612 -19.734 10.823 99 HD13 LEU 562 HD13 LEU 562 -4.967 -18.481 12.007 100 HD21 LEU 562 HD21 LEU 562 -8.036 -17.169 10.350 101 HD22 LEU 562 HD22 LEU 562 -6.440 -16.443 10.146 102 HD23 LEU 562 HD23 LEU 562 -6.960 -16.989 11.741 103 H GLU 563 HN GLU 563 -8.615 -20.882 7.980 104 HA GLU 563 HA GLU 563 -9.597 -21.658 10.484 105 HB2 GLU 563 HB2 GLU 563 -10.895 -22.242 7.790 106 HB3 GLU 563 HB1 GLU 563 -11.700 -22.199 9.359 107 HG2 GLU 563 HG2 GLU 563 -10.609 -19.892 7.748 108 HG3 GLU 563 HG1 GLU 563 -12.274 -20.213 8.183 109 H GLN 564 HN GLN 564 -8.791 -23.565 7.589 110 HA GLN 564 HA GLN 564 -9.536 -26.109 8.585 111 HB2 GLN 564 HB2 GLN 564 -8.323 -27.064 6.704 112 HB3 GLN 564 HB1 GLN 564 -9.153 -25.611 6.156 113 HG2 GLN 564 HG2 GLN 564 -6.992 -24.364 6.321 114 HG3 GLN 564 HG1 GLN 564 -6.194 -25.871 6.769 115 HE21 GLN 564 HE21 GLN 564 -7.705 -24.089 4.176 116 HE22 GLN 564 HE22 GLN 564 -7.130 -25.081 2.886 117 H ALA 565 HN ALA 565 -6.567 -24.222 8.772 118 HA ALA 565 HA ALA 565 -4.895 -26.322 9.803 119 HB1 ALA 565 HB1 ALA 565 -3.177 -24.571 9.941 120 HB2 ALA 565 HB2 ALA 565 -4.401 -23.337 9.612 121 HB3 ALA 565 HB3 ALA 565 -3.998 -24.536 8.381 122 H LEU 566 HN LEU 566 -6.896 -23.805 11.216 123 HA LEU 566 HA LEU 566 -5.832 -23.747 13.846 124 HB2 LEU 566 HB2 LEU 566 -8.640 -23.181 12.821 125 HB3 LEU 566 HB1 LEU 566 -8.140 -22.886 14.482 126 HG LEU 566 HG LEU 566 -6.878 -21.521 12.066 127 HD11 LEU 566 HD11 LEU 566 -9.207 -20.821 12.232 128 HD12 LEU 566 HD12 LEU 566 -8.135 -19.507 12.708 129 HD13 LEU 566 HD13 LEU 566 -8.998 -20.429 13.941 130 HD21 LEU 566 HD21 LEU 566 -5.904 -19.986 13.718 131 HD22 LEU 566 HD22 LEU 566 -5.378 -21.645 13.997 132 HD23 LEU 566 HD23 LEU 566 -6.618 -20.926 15.030 133 H LYS 567 HN LYS 567 -8.215 -25.806 12.263 134 HA LYS 567 HA LYS 567 -8.848 -27.259 14.718 135 HB2 LYS 567 HB2 LYS 567 -10.605 -26.614 13.039 136 HB3 LYS 567 HB1 LYS 567 -9.861 -27.718 11.884 137 HG2 LYS 567 HG2 LYS 567 -10.364 -29.627 13.340 138 HG3 LYS 567 HG1 LYS 567 -11.016 -28.536 14.571 139 HD2 LYS 567 HD2 LYS 567 -12.759 -27.808 12.919 140 HD3 LYS 567 HD1 LYS 567 -12.143 -29.018 11.788 141 HE2 LYS 567 HE2 LYS 567 -12.749 -30.815 13.346 142 HE3 LYS 567 HE1 LYS 567 -13.275 -29.630 14.548 143 HZ1 LYS 567 HZ1 LYS 567 -14.485 -30.058 11.870 144 HZ2 LYS 567 HZ2 LYS 567 -14.970 -28.882 12.984 145 HZ3 LYS 567 HZ3 LYS 567 -15.149 -30.521 13.356 146 H THR 568 HN THR 568 -7.168 -27.783 11.644 147 HA THR 568 HA THR 568 -6.629 -30.543 11.823 148 HB THR 568 HB THR 568 -5.153 -28.323 10.345 149 HG1 THR 568 HG1 THR 568 -7.397 -29.058 9.787 150 HG21 THR 568 HG21 THR 568 -3.552 -30.164 10.648 151 HG22 THR 568 HG22 THR 568 -4.084 -30.084 8.967 152 HG23 THR 568 HG23 THR 568 -4.742 -31.319 10.043 153 H TYR 569 HN TYR 569 -4.712 -27.714 12.803 154 HA TYR 569 HA TYR 569 -3.052 -29.395 14.582 155 HB2 TYR 569 HB2 TYR 569 -2.563 -26.442 13.996 156 HB3 TYR 569 HB1 TYR 569 -1.414 -27.644 14.583 157 HD1 TYR 569 HD2 TYR 569 -1.098 -29.732 12.854 158 HD2 TYR 569 HD1 TYR 569 -2.334 -25.791 11.756 159 HE1 TYR 569 HE2 TYR 569 -0.376 -30.156 10.544 160 HE2 TYR 569 HE1 TYR 569 -1.631 -26.229 9.428 161 HH TYR 569 HH TYR 569 0.008 -27.749 8.251 162 HA PRO 570 HA PRO 570 -6.403 -27.811 17.337 163 HB2 PRO 570 HB2 PRO 570 -5.728 -29.480 19.483 164 HB3 PRO 570 HB1 PRO 570 -6.834 -29.901 18.173 165 HG2 PRO 570 HG2 PRO 570 -3.949 -30.627 18.536 166 HG3 PRO 570 HG1 PRO 570 -5.282 -31.603 17.890 167 HD2 PRO 570 HD2 PRO 570 -3.426 -30.437 16.288 168 HD3 PRO 570 HD1 PRO 570 -5.109 -30.663 15.766 169 H VAL 571 HN VAL 571 -6.410 -26.888 19.626 170 HA VAL 571 HA VAL 571 -4.564 -24.746 19.550 171 HB VAL 571 HB VAL 571 -6.895 -24.495 20.360 172 HG11 VAL 571 HG11 VAL 571 -7.147 -26.521 21.717 173 HG12 VAL 571 HG12 VAL 571 -7.527 -25.092 22.679 174 HG13 VAL 571 HG13 VAL 571 -5.978 -25.913 22.891 175 HG21 VAL 571 HG21 VAL 571 -6.423 -22.873 22.173 176 HG22 VAL 571 HG22 VAL 571 -5.248 -22.742 20.860 177 HG23 VAL 571 HG23 VAL 571 -4.802 -23.558 22.359 178 H ASN 572 HN ASN 572 -4.579 -27.697 21.470 179 HA ASN 572 HA ASN 572 -2.640 -26.844 23.420 180 HB2 ASN 572 HB2 ASN 572 -3.767 -29.589 22.727 181 HB3 ASN 572 HB1 ASN 572 -2.574 -29.345 24.005 182 HD21 ASN 572 HD21 ASN 572 -5.910 -28.940 23.073 183 HD22 ASN 572 HD22 ASN 572 -6.488 -28.442 24.625 184 H THR 573 HN THR 573 -2.273 -27.686 20.169 185 HA THR 573 HA THR 573 0.175 -29.133 20.176 186 HB THR 573 HB THR 573 -0.951 -27.316 17.993 187 HG1 THR 573 HG1 THR 573 -2.334 -29.094 18.735 188 HG21 THR 573 HG21 THR 573 0.363 -28.701 16.415 189 HG22 THR 573 HG22 THR 573 1.042 -29.614 17.766 190 HG23 THR 573 HG23 THR 573 1.425 -27.902 17.579 191 HA PRO 574 HA PRO 574 2.823 -25.623 21.553 192 HB2 PRO 574 HB2 PRO 574 5.003 -27.527 20.715 193 HB3 PRO 574 HB1 PRO 574 4.800 -26.647 22.238 194 HG2 PRO 574 HG2 PRO 574 4.281 -29.252 22.135 195 HG3 PRO 574 HG1 PRO 574 3.211 -28.174 23.055 196 HD2 PRO 574 HD2 PRO 574 2.788 -29.367 20.316 197 HD3 PRO 574 HD1 PRO 574 1.638 -29.202 21.664 198 H GLU 575 HN GLU 575 3.328 -27.379 18.500 199 HA GLU 575 HA GLU 575 4.594 -25.023 17.242 200 HB2 GLU 575 HB2 GLU 575 4.376 -27.914 16.291 201 HB3 GLU 575 HB1 GLU 575 5.106 -26.613 15.355 202 HG2 GLU 575 HG2 GLU 575 6.800 -26.331 17.186 203 HG3 GLU 575 HG1 GLU 575 6.105 -27.743 17.987 204 H ARG 576 HN ARG 576 1.616 -25.294 17.815 205 HA ARG 576 HA ARG 576 0.029 -26.034 15.670 206 HB2 ARG 576 HB2 ARG 576 -0.811 -25.180 17.947 207 HB3 ARG 576 HB1 ARG 576 -0.515 -23.548 17.358 208 HG2 ARG 576 HG2 ARG 576 -2.121 -24.155 15.408 209 HG3 ARG 576 HG1 ARG 576 -2.568 -25.552 16.387 210 HD2 ARG 576 HD2 ARG 576 -3.087 -23.873 18.262 211 HD3 ARG 576 HD1 ARG 576 -2.928 -22.625 17.019 212 HE ARG 576 HE ARG 576 -4.765 -24.522 16.067 213 HH11 ARG 576 HH11 ARG 576 -4.553 -22.191 18.679 214 HH12 ARG 576 HH12 ARG 576 -6.265 -21.994 18.807 215 HH21 ARG 576 HH21 ARG 576 -7.046 -24.221 16.278 216 HH22 ARG 576 HH22 ARG 576 -7.662 -23.113 17.453 217 H TRP 577 HN TRP 577 1.358 -22.820 16.307 218 HA TRP 577 HA TRP 577 0.243 -21.597 13.971 219 HB2 TRP 577 HB2 TRP 577 2.253 -20.526 15.999 220 HB3 TRP 577 HB1 TRP 577 1.350 -19.558 14.831 221 HD1 TRP 577 HD1 TRP 577 1.075 -20.921 18.324 222 HE1 TRP 577 HE1 TRP 577 -1.276 -20.480 19.266 223 HE3 TRP 577 HE3 TRP 577 -1.275 -19.457 14.020 224 HZ2 TRP 577 HZ2 TRP 577 -3.800 -19.640 18.314 225 HZ3 TRP 577 HZ3 TRP 577 -3.657 -18.853 14.124 226 HH2 TRP 577 HH2 TRP 577 -4.891 -18.944 16.227 227 H LYS 578 HN LYS 578 3.324 -23.089 14.716 228 HA LYS 578 HA LYS 578 4.847 -21.961 12.543 229 HB2 LYS 578 HB2 LYS 578 5.262 -24.507 14.173 230 HB3 LYS 578 HB1 LYS 578 6.355 -24.010 12.892 231 HG2 LYS 578 HG2 LYS 578 7.371 -23.340 14.920 232 HG3 LYS 578 HG1 LYS 578 6.757 -21.865 14.169 233 HD2 LYS 578 HD2 LYS 578 4.774 -21.958 15.686 234 HD3 LYS 578 HD1 LYS 578 5.446 -23.404 16.448 235 HE2 LYS 578 HE2 LYS 578 7.460 -22.031 17.105 236 HE3 LYS 578 HE1 LYS 578 6.629 -20.602 16.479 237 HZ1 LYS 578 HZ1 LYS 578 5.680 -22.356 18.679 238 HZ2 LYS 578 HZ2 LYS 578 4.848 -21.016 18.067 239 HZ3 LYS 578 HZ3 LYS 578 6.330 -20.806 18.846 240 H LYS 579 HN LYS 579 2.740 -24.714 12.969 241 HA LYS 579 HA LYS 579 3.176 -25.869 10.358 242 HB2 LYS 579 HB2 LYS 579 1.112 -26.406 12.527 243 HB3 LYS 579 HB1 LYS 579 1.289 -27.372 11.061 244 HG2 LYS 579 HG2 LYS 579 3.513 -28.085 11.726 245 HG3 LYS 579 HG1 LYS 579 3.490 -27.000 13.124 246 HD2 LYS 579 HD2 LYS 579 1.651 -28.313 14.120 247 HD3 LYS 579 HD1 LYS 579 1.624 -29.375 12.707 248 HE2 LYS 579 HE2 LYS 579 3.931 -29.072 14.666 249 HE3 LYS 579 HE1 LYS 579 2.817 -30.431 14.578 250 HZ1 LYS 579 HZ1 LYS 579 4.681 -29.608 12.417 251 HZ2 LYS 579 HZ2 LYS 579 3.640 -30.933 12.379 252 HZ3 LYS 579 HZ3 LYS 579 4.921 -30.900 13.482 253 H ILE 580 HN ILE 580 0.828 -23.705 11.874 254 HA ILE 580 HA ILE 580 -0.979 -23.456 9.668 255 HB ILE 580 HB ILE 580 -0.429 -21.608 12.036 256 HG12 ILE 580 HG12 ILE 580 -2.722 -23.546 11.494 257 HG13 ILE 580 HG11 ILE 580 -1.389 -23.837 12.598 258 HG21 ILE 580 HG21 ILE 580 -2.705 -21.357 10.031 259 HG22 ILE 580 HG22 ILE 580 -1.358 -20.231 10.222 260 HG23 ILE 580 HG23 ILE 580 -2.537 -20.423 11.520 261 HD11 ILE 580 HD11 ILE 580 -2.171 -21.997 14.009 262 HD12 ILE 580 HD12 ILE 580 -3.401 -23.243 13.782 263 HD13 ILE 580 HD13 ILE 580 -3.515 -21.725 12.894 264 H ALA 581 HN ALA 581 2.058 -21.925 10.519 265 HA ALA 581 HA ALA 581 2.240 -19.819 8.698 266 HB1 ALA 581 HB1 ALA 581 4.670 -20.053 8.882 267 HB2 ALA 581 HB2 ALA 581 4.493 -21.691 9.528 268 HB3 ALA 581 HB3 ALA 581 3.927 -20.303 10.462 269 H GLU 582 HN GLU 582 2.892 -23.248 8.265 270 HA GLU 582 HA GLU 582 3.881 -23.129 5.591 271 HB2 GLU 582 HB2 GLU 582 2.734 -25.469 7.179 272 HB3 GLU 582 HB1 GLU 582 3.646 -25.610 5.672 273 HG2 GLU 582 HG2 GLU 582 5.646 -24.724 6.745 274 HG3 GLU 582 HG1 GLU 582 4.751 -24.396 8.231 275 H ALA 583 HN ALA 583 0.698 -23.487 7.028 276 HA ALA 583 HA ALA 583 -0.703 -24.192 4.609 277 HB1 ALA 583 HB1 ALA 583 -2.739 -23.902 5.971 278 HB2 ALA 583 HB2 ALA 583 -1.776 -23.195 7.273 279 HB3 ALA 583 HB3 ALA 583 -1.539 -24.883 6.818 280 H VAL 584 HN VAL 584 0.015 -21.179 6.334 281 HA VAL 584 HA VAL 584 -1.640 -19.607 4.436 282 HB VAL 584 HB VAL 584 -0.875 -18.727 7.256 283 HG11 VAL 584 HG11 VAL 584 -2.946 -17.639 5.302 284 HG12 VAL 584 HG12 VAL 584 -1.387 -16.897 5.682 285 HG13 VAL 584 HG13 VAL 584 -2.628 -17.025 6.926 286 HG21 VAL 584 HG21 VAL 584 -3.516 -19.971 6.397 287 HG22 VAL 584 HG22 VAL 584 -3.181 -19.245 7.972 288 HG23 VAL 584 HG23 VAL 584 -2.321 -20.703 7.469 289 HA PRO 585 HA PRO 585 2.458 -17.602 3.730 290 HB2 PRO 585 HB2 PRO 585 2.267 -17.258 1.078 291 HB3 PRO 585 HB1 PRO 585 2.622 -18.854 1.759 292 HG2 PRO 585 HG2 PRO 585 0.006 -17.772 0.718 293 HG3 PRO 585 HG1 PRO 585 0.726 -19.376 0.469 294 HD2 PRO 585 HD2 PRO 585 -1.227 -18.783 2.382 295 HD3 PRO 585 HD1 PRO 585 -0.140 -20.188 2.449 296 H GLY 586 HN GLY 586 2.913 -15.396 3.415 297 HA2 GLY 586 HA2 GLY 586 2.587 -13.150 2.938 298 HA3 GLY 586 HA1 GLY 586 0.949 -13.496 2.415 299 H ARG 587 HN ARG 587 1.227 -14.894 5.391 300 HA ARG 587 HA ARG 587 0.493 -12.463 6.932 301 HB2 ARG 587 HB2 ARG 587 -0.844 -15.208 7.104 302 HB3 ARG 587 HB1 ARG 587 -1.202 -13.834 8.150 303 HG2 ARG 587 HG2 ARG 587 -1.664 -13.896 5.141 304 HG3 ARG 587 HG1 ARG 587 -2.902 -14.211 6.360 305 HD2 ARG 587 HD2 ARG 587 -2.732 -11.949 7.197 306 HD3 ARG 587 HD1 ARG 587 -1.341 -11.611 6.162 307 HE ARG 587 HE ARG 587 -4.139 -11.980 5.252 308 HH11 ARG 587 HH11 ARG 587 -0.876 -10.831 4.573 309 HH12 ARG 587 HH12 ARG 587 -1.362 -9.926 3.176 310 HH21 ARG 587 HH21 ARG 587 -4.732 -10.783 3.398 311 HH22 ARG 587 HH22 ARG 587 -3.531 -9.894 2.521 312 H THR 588 HN THR 588 1.577 -12.264 8.840 313 HA THR 588 HA THR 588 3.405 -14.376 9.710 314 HB THR 588 HB THR 588 4.175 -12.792 11.419 315 HG1 THR 588 HG1 THR 588 1.749 -11.581 10.884 316 HG21 THR 588 HG21 THR 588 4.924 -10.898 10.042 317 HG22 THR 588 HG22 THR 588 3.740 -11.297 8.792 318 HG23 THR 588 HG23 THR 588 5.075 -12.401 9.147 319 H LYS 589 HN LYS 589 3.399 -14.979 12.080 320 HA LYS 589 HA LYS 589 0.922 -16.316 12.507 321 HB2 LYS 589 HB2 LYS 589 3.553 -16.292 13.980 322 HB3 LYS 589 HB1 LYS 589 2.160 -17.086 14.689 323 HG2 LYS 589 HG2 LYS 589 3.542 -18.725 13.570 324 HG3 LYS 589 HG1 LYS 589 1.995 -18.604 12.732 325 HD2 LYS 589 HD2 LYS 589 4.366 -17.011 11.724 326 HD3 LYS 589 HD1 LYS 589 4.296 -18.736 11.390 327 HE2 LYS 589 HE2 LYS 589 2.190 -18.455 10.165 328 HE3 LYS 589 HE1 LYS 589 2.122 -16.753 10.597 329 HZ1 LYS 589 HZ1 LYS 589 4.189 -18.022 8.897 330 HZ2 LYS 589 HZ2 LYS 589 4.161 -16.397 9.348 331 HZ3 LYS 589 HZ3 LYS 589 2.929 -17.022 8.368 332 H LYS 590 HN LYS 590 2.300 -13.365 13.838 333 HA LYS 590 HA LYS 590 0.528 -13.167 16.056 334 HB2 LYS 590 HB2 LYS 590 1.205 -10.855 16.269 335 HB3 LYS 590 HB1 LYS 590 2.609 -11.828 15.895 336 HG2 LYS 590 HG2 LYS 590 3.010 -9.960 14.606 337 HG3 LYS 590 HG1 LYS 590 2.217 -11.007 13.428 338 HD2 LYS 590 HD2 LYS 590 0.099 -9.797 13.740 339 HD3 LYS 590 HD1 LYS 590 0.819 -8.821 15.024 340 HE2 LYS 590 HE2 LYS 590 0.677 -7.578 12.900 341 HE3 LYS 590 HE1 LYS 590 2.347 -7.782 13.422 342 HZ1 LYS 590 HZ1 LYS 590 2.119 -8.161 11.066 343 HZ2 LYS 590 HZ2 LYS 590 0.973 -9.374 11.331 344 HZ3 LYS 590 HZ3 LYS 590 2.565 -9.599 11.834 345 H ASP 591 HN ASP 591 0.182 -12.444 12.617 346 HA ASP 591 HA ASP 591 -2.357 -11.089 12.788 347 HB2 ASP 591 HB2 ASP 591 -1.197 -12.651 10.429 348 HB3 ASP 591 HB1 ASP 591 -2.615 -11.612 10.352 349 H CYS 592 HN CYS 592 -1.280 -14.424 12.379 350 HA CYS 592 HA CYS 592 -3.757 -15.666 11.848 351 HB2 CYS 592 HB2 CYS 592 -1.274 -16.848 13.149 352 HB3 CYS 592 HB1 CYS 592 -2.588 -17.772 12.421 353 HG CYS 592 HG CYS 592 -1.978 -17.352 9.885 354 H MET 593 HN MET 593 -2.074 -14.944 14.853 355 HA MET 593 HA MET 593 -3.902 -16.312 16.634 356 HB2 MET 593 HB2 MET 593 -1.737 -14.233 17.199 357 HB3 MET 593 HB1 MET 593 -2.576 -15.174 18.427 358 HG2 MET 593 HG2 MET 593 -1.568 -17.213 17.623 359 HG3 MET 593 HG1 MET 593 -0.881 -16.371 16.233 360 HE1 MET 593 HE1 MET 593 1.602 -16.743 16.414 361 HE2 MET 593 HE2 MET 593 1.171 -18.019 17.556 362 HE3 MET 593 HE3 MET 593 2.467 -16.889 17.942 363 H LYS 594 HN LYS 594 -3.257 -12.960 15.680 364 HA LYS 594 HA LYS 594 -5.121 -11.581 17.244 365 HB2 LYS 594 HB2 LYS 594 -3.321 -10.532 15.827 366 HB3 LYS 594 HB1 LYS 594 -4.257 -10.902 14.389 367 HG2 LYS 594 HG2 LYS 594 -5.394 -9.144 16.584 368 HG3 LYS 594 HG1 LYS 594 -4.296 -8.484 15.371 369 HD2 LYS 594 HD2 LYS 594 -5.888 -9.201 13.581 370 HD3 LYS 594 HD1 LYS 594 -6.990 -9.802 14.822 371 HE2 LYS 594 HE2 LYS 594 -6.130 -6.916 14.427 372 HE3 LYS 594 HE1 LYS 594 -7.711 -7.601 14.055 373 HZ1 LYS 594 HZ1 LYS 594 -7.948 -8.107 16.452 374 HZ2 LYS 594 HZ2 LYS 594 -7.828 -6.451 16.132 375 HZ3 LYS 594 HZ3 LYS 594 -6.500 -7.292 16.749 376 H ARG 595 HN ARG 595 -5.460 -13.021 14.009 377 HA ARG 595 HA ARG 595 -8.147 -12.210 13.610 378 HB2 ARG 595 HB2 ARG 595 -6.553 -12.844 11.739 379 HB3 ARG 595 HB1 ARG 595 -6.738 -14.527 12.212 380 HG2 ARG 595 HG2 ARG 595 -8.174 -13.989 10.291 381 HG3 ARG 595 HG1 ARG 595 -9.151 -14.436 11.696 382 HD2 ARG 595 HD2 ARG 595 -9.456 -11.971 12.172 383 HD3 ARG 595 HD1 ARG 595 -8.631 -11.628 10.649 384 HE ARG 595 HE ARG 595 -10.455 -12.721 9.486 385 HH11 ARG 595 HH11 ARG 595 -11.135 -11.930 12.844 386 HH12 ARG 595 HH12 ARG 595 -12.851 -11.892 12.616 387 HH21 ARG 595 HH21 ARG 595 -12.703 -12.702 9.212 388 HH22 ARG 595 HH22 ARG 595 -13.746 -12.352 10.553 389 H TYR 596 HN TYR 596 -6.642 -15.241 14.717 390 HA TYR 596 HA TYR 596 -8.929 -16.830 15.049 391 HB2 TYR 596 HB2 TYR 596 -6.669 -17.759 15.151 392 HB3 TYR 596 HB1 TYR 596 -6.325 -16.861 16.623 393 HD1 TYR 596 HD2 TYR 596 -9.001 -19.233 15.424 394 HD2 TYR 596 HD1 TYR 596 -6.295 -18.199 18.561 395 HE1 TYR 596 HE2 TYR 596 -9.773 -21.169 16.717 396 HE2 TYR 596 HE1 TYR 596 -7.065 -20.138 19.863 397 HH TYR 596 HH TYR 596 -9.093 -21.616 19.986 398 H LYS 597 HN LYS 597 -7.453 -14.481 17.225 399 HA LYS 597 HA LYS 597 -9.075 -14.794 19.508 400 HB2 LYS 597 HB2 LYS 597 -7.091 -13.479 19.716 401 HB3 LYS 597 HB1 LYS 597 -7.522 -12.466 18.347 402 HG2 LYS 597 HG2 LYS 597 -9.368 -11.466 19.710 403 HG3 LYS 597 HG1 LYS 597 -8.814 -12.418 21.096 404 HD2 LYS 597 HD2 LYS 597 -6.703 -11.240 21.150 405 HD3 LYS 597 HD1 LYS 597 -7.028 -10.466 19.595 406 HE2 LYS 597 HE2 LYS 597 -8.614 -9.968 22.139 407 HE3 LYS 597 HE1 LYS 597 -7.334 -8.922 21.519 408 HZ1 LYS 597 HZ1 LYS 597 -9.441 -8.053 20.842 409 HZ2 LYS 597 HZ2 LYS 597 -9.926 -9.539 20.210 410 HZ3 LYS 597 HZ3 LYS 597 -8.679 -8.673 19.460 411 H GLU 598 HN GLU 598 -9.416 -12.677 16.657 412 HA GLU 598 HA GLU 598 -11.824 -11.399 17.378 413 HB2 GLU 598 HB2 GLU 598 -10.995 -11.995 14.508 414 HB3 GLU 598 HB1 GLU 598 -12.026 -10.683 15.078 415 HG2 GLU 598 HG2 GLU 598 -9.040 -10.973 15.467 416 HG3 GLU 598 HG1 GLU 598 -9.865 -9.841 14.409 417 H LEU 599 HN LEU 599 -11.151 -14.422 15.656 418 HA LEU 599 HA LEU 599 -13.729 -15.014 14.645 419 HB2 LEU 599 HB2 LEU 599 -11.407 -16.870 15.314 420 HB3 LEU 599 HB1 LEU 599 -12.845 -17.371 14.431 421 HG LEU 599 HG LEU 599 -10.924 -15.226 13.447 422 HD11 LEU 599 HD11 LEU 599 -9.762 -17.375 13.551 423 HD12 LEU 599 HD12 LEU 599 -10.031 -16.874 11.885 424 HD13 LEU 599 HD13 LEU 599 -11.044 -18.131 12.601 425 HD21 LEU 599 HD21 LEU 599 -12.041 -15.506 11.280 426 HD22 LEU 599 HD22 LEU 599 -13.174 -14.980 12.523 427 HD23 LEU 599 HD23 LEU 599 -13.163 -16.668 11.995 428 H VAL 600 HN VAL 600 -12.002 -16.115 17.560 429 HA VAL 600 HA VAL 600 -13.977 -17.759 18.696 430 HB VAL 600 HB VAL 600 -11.758 -16.140 20.039 431 HG11 VAL 600 HG11 VAL 600 -13.487 -18.309 21.305 432 HG12 VAL 600 HG12 VAL 600 -13.501 -16.594 21.725 433 HG13 VAL 600 HG13 VAL 600 -12.067 -17.568 22.046 434 HG21 VAL 600 HG21 VAL 600 -11.913 -19.110 19.371 435 HG22 VAL 600 HG22 VAL 600 -10.559 -18.297 20.161 436 HG23 VAL 600 HG23 VAL 600 -10.968 -17.909 18.491 437 H GLU 601 HN GLU 601 -13.271 -14.299 19.243 438 HA GLU 601 HA GLU 601 -15.318 -13.830 21.139 439 HB2 GLU 601 HB2 GLU 601 -13.800 -11.895 19.349 440 HB3 GLU 601 HB1 GLU 601 -14.906 -11.386 20.627 441 HG2 GLU 601 HG2 GLU 601 -13.462 -12.617 22.272 442 HG3 GLU 601 HG1 GLU 601 -12.312 -12.925 20.972 443 H MET 602 HN MET 602 -15.314 -13.600 17.579 444 HA MET 602 HA MET 602 -17.812 -12.131 17.527 445 HB2 MET 602 HB2 MET 602 -17.618 -12.007 15.162 446 HB3 MET 602 HB1 MET 602 -15.988 -11.827 15.781 447 HG2 MET 602 HG2 MET 602 -15.509 -14.173 15.183 448 HG3 MET 602 HG1 MET 602 -17.143 -14.342 14.544 449 HE1 MET 602 HE1 MET 602 -17.471 -11.364 13.187 450 HE2 MET 602 HE2 MET 602 -18.043 -12.849 12.423 451 HE3 MET 602 HE3 MET 602 -17.002 -11.740 11.530 452 H VAL 603 HN VAL 603 -16.845 -15.528 17.272 453 HA VAL 603 HA VAL 603 -19.376 -16.372 16.149 454 HB VAL 603 HB VAL 603 -17.238 -17.634 15.710 455 HG11 VAL 603 HG11 VAL 603 -17.537 -18.672 18.553 456 HG12 VAL 603 HG12 VAL 603 -16.235 -17.642 17.960 457 HG13 VAL 603 HG13 VAL 603 -16.398 -19.287 17.345 458 HG21 VAL 603 HG21 VAL 603 -19.519 -19.278 16.869 459 HG22 VAL 603 HG22 VAL 603 -18.265 -19.892 15.788 460 HG23 VAL 603 HG23 VAL 603 -19.406 -18.673 15.215 461 H LYS 604 HN LYS 604 -17.940 -16.203 19.384 462 HA LYS 604 HA LYS 604 -20.064 -17.654 20.695 463 HB2 LYS 604 HB2 LYS 604 -18.952 -17.067 22.792 464 HB3 LYS 604 HB1 LYS 604 -17.759 -17.613 21.618 465 HG2 LYS 604 HG2 LYS 604 -17.156 -15.237 21.173 466 HG3 LYS 604 HG1 LYS 604 -18.298 -14.729 22.420 467 HD2 LYS 604 HD2 LYS 604 -15.875 -16.528 22.897 468 HD3 LYS 604 HD1 LYS 604 -15.911 -14.788 23.200 469 HE2 LYS 604 HE2 LYS 604 -17.698 -16.834 24.567 470 HE3 LYS 604 HE1 LYS 604 -16.245 -16.120 25.267 471 HZ1 LYS 604 HZ1 LYS 604 -17.257 -13.975 25.232 472 HZ2 LYS 604 HZ2 LYS 604 -18.336 -15.045 25.975 473 HZ3 LYS 604 HZ3 LYS 604 -18.603 -14.548 24.384 474 H ALA 605 HN ALA 605 -19.324 -14.250 20.074 475 HA ALA 605 HA ALA 605 -21.413 -13.141 21.715 476 HB1 ALA 605 HB1 ALA 605 -19.420 -11.823 21.102 477 HB2 ALA 605 HB2 ALA 605 -20.897 -11.013 20.574 478 HB3 ALA 605 HB3 ALA 605 -19.891 -11.874 19.403 479 H LYS 606 HN LYS 606 -21.104 -14.058 18.313 480 HA LYS 606 HA LYS 606 -23.618 -13.138 17.370 481 HB2 LYS 606 HB2 LYS 606 -21.814 -13.713 15.827 482 HB3 LYS 606 HB1 LYS 606 -21.781 -15.370 16.417 483 HG2 LYS 606 HG2 LYS 606 -24.040 -15.742 15.450 484 HG3 LYS 606 HG1 LYS 606 -24.034 -14.082 14.838 485 HD2 LYS 606 HD2 LYS 606 -22.103 -14.589 13.405 486 HD3 LYS 606 HD1 LYS 606 -22.003 -16.222 14.073 487 HE2 LYS 606 HE2 LYS 606 -23.074 -16.273 11.881 488 HE3 LYS 606 HE1 LYS 606 -24.239 -16.729 13.124 489 HZ1 LYS 606 HZ1 LYS 606 -25.238 -15.229 11.554 490 HZ2 LYS 606 HZ2 LYS 606 -24.022 -14.082 11.794 491 HZ3 LYS 606 HZ3 LYS 606 -25.097 -14.447 13.047 492 H LYS 607 HN LYS 607 -22.484 -16.263 18.614 493 HA LYS 607 HA LYS 607 -24.923 -17.682 18.431 494 HB2 LYS 607 HB2 LYS 607 -22.700 -18.782 18.656 495 HB3 LYS 607 HB1 LYS 607 -22.556 -18.167 20.299 496 HG2 LYS 607 HG2 LYS 607 -24.447 -19.552 21.019 497 HG3 LYS 607 HG1 LYS 607 -24.709 -20.093 19.357 498 HD2 LYS 607 HD2 LYS 607 -22.487 -21.199 19.368 499 HD3 LYS 607 HD1 LYS 607 -22.221 -20.656 21.029 500 HE2 LYS 607 HE2 LYS 607 -24.102 -22.025 21.804 501 HE3 LYS 607 HE1 LYS 607 -24.479 -22.495 20.146 502 HZ1 LYS 607 HZ1 LYS 607 -22.401 -23.658 20.006 503 HZ2 LYS 607 HZ2 LYS 607 -23.240 -24.191 21.379 504 HZ3 LYS 607 HZ3 LYS 607 -21.939 -23.127 21.542 505 H ALA 608 HN ALA 608 -23.528 -15.638 20.978 506 HA ALA 608 HA ALA 608 -25.431 -16.231 23.015 507 HB1 ALA 608 HB1 ALA 608 -23.241 -15.210 23.504 508 HB2 ALA 608 HB2 ALA 608 -24.560 -14.227 24.147 509 HB3 ALA 608 HB3 ALA 608 -23.727 -13.737 22.665 510 H ALA 609 HN ALA 609 -25.230 -13.612 20.597 511 HA ALA 609 HA ALA 609 -27.583 -12.250 21.562 512 HB1 ALA 609 HB1 ALA 609 -26.031 -11.827 18.982 513 HB2 ALA 609 HB2 ALA 609 -25.714 -11.023 20.519 514 HB3 ALA 609 HB3 ALA 609 -27.230 -10.721 19.671 515 H GLN 610 HN GLN 610 -27.068 -14.850 19.351 516 HA GLN 610 HA GLN 610 -29.709 -14.585 18.110 517 HB2 GLN 610 HB2 GLN 610 -27.783 -15.324 16.727 518 HB3 GLN 610 HB1 GLN 610 -27.584 -16.741 17.751 519 HG2 GLN 610 HG2 GLN 610 -28.725 -17.342 15.683 520 HG3 GLN 610 HG1 GLN 610 -29.810 -17.553 17.056 521 HE21 GLN 610 HE21 GLN 610 -31.646 -17.443 15.718 522 HE22 GLN 610 HE22 GLN 610 -32.192 -15.960 15.016 523 H GLU 611 HN GLU 611 -27.985 -17.160 19.890 524 HA GLU 611 HA GLU 611 -30.185 -18.849 20.301 525 HB2 GLU 611 HB2 GLU 611 -27.876 -19.655 20.415 526 HB3 GLU 611 HB1 GLU 611 -27.556 -18.654 21.824 527 HG2 GLU 611 HG2 GLU 611 -29.177 -19.996 23.135 528 HG3 GLU 611 HG1 GLU 611 -29.466 -21.005 21.720 529 H GLN 612 HN GLN 612 -28.599 -16.643 22.694 530 HA GLN 612 HA GLN 612 -30.301 -17.386 24.848 531 HB2 GLN 612 HB2 GLN 612 -28.648 -14.842 24.598 532 HB3 GLN 612 HB1 GLN 612 -29.327 -15.497 26.089 533 HG2 GLN 612 HG2 GLN 612 -27.891 -17.512 25.825 534 HG3 GLN 612 HG1 GLN 612 -27.188 -16.791 24.371 535 HE21 GLN 612 HE21 GLN 612 -25.112 -16.860 25.330 536 HE22 GLN 612 HE22 GLN 612 -24.641 -15.741 26.557 537 H VAL 613 HN VAL 613 -30.492 -14.801 22.462 538 HA VAL 613 HA VAL 613 -32.747 -13.432 23.608 539 HB VAL 613 HB VAL 613 -31.552 -13.353 20.804 540 HG11 VAL 613 HG11 VAL 613 -32.851 -11.265 20.432 541 HG12 VAL 613 HG12 VAL 613 -33.693 -11.517 21.960 542 HG13 VAL 613 HG13 VAL 613 -33.912 -12.663 20.637 543 HG21 VAL 613 HG21 VAL 613 -30.050 -12.504 22.570 544 HG22 VAL 613 HG22 VAL 613 -31.311 -11.403 23.133 545 HG23 VAL 613 HG23 VAL 613 -30.599 -11.185 21.534 546 H LEU 614 HN LEU 614 -32.352 -16.052 21.262 547 HA LEU 614 HA LEU 614 -35.057 -16.348 20.449 548 HB2 LEU 614 HB2 LEU 614 -33.119 -17.378 19.279 549 HB3 LEU 614 HB1 LEU 614 -32.824 -18.415 20.660 550 HG LEU 614 HG LEU 614 -34.977 -19.600 20.231 551 HD11 LEU 614 HD11 LEU 614 -35.191 -17.832 17.772 552 HD12 LEU 614 HD12 LEU 614 -36.267 -17.819 19.174 553 HD13 LEU 614 HD13 LEU 614 -36.204 -19.234 18.127 554 HD21 LEU 614 HD21 LEU 614 -32.885 -20.481 19.274 555 HD22 LEU 614 HD22 LEU 614 -33.124 -19.510 17.820 556 HD23 LEU 614 HD23 LEU 614 -34.254 -20.808 18.209 557 H ASN 615 HN ASN 615 -33.183 -17.671 23.187 558 HA ASN 615 HA ASN 615 -35.327 -19.194 24.352 559 HB2 ASN 615 HB2 ASN 615 -32.705 -18.221 25.550 560 HB3 ASN 615 HB1 ASN 615 -33.836 -19.256 26.411 561 HD21 ASN 615 HD21 ASN 615 -34.279 -21.379 25.468 562 HD22 ASN 615 HD22 ASN 615 -33.030 -22.177 24.582 563 H ALA 616 HN ALA 616 -34.224 -15.871 24.655 564 HA ALA 616 HA ALA 616 -35.744 -15.155 26.970 565 HB1 ALA 616 HB1 ALA 616 -33.784 -13.849 26.199 566 HB2 ALA 616 HB2 ALA 616 -35.221 -12.835 26.338 567 HB3 ALA 616 HB3 ALA 616 -34.670 -13.372 24.747 568 H SER 617 HN SER 617 -36.430 -15.401 23.552 569 HA SER 617 HA SER 617 -38.991 -14.085 23.610 570 HB2 SER 617 HB2 SER 617 -37.800 -15.990 21.550 571 HB3 SER 617 HB1 SER 617 -39.234 -14.990 21.306 572 HG SER 617 HG SER 617 -36.617 -14.334 21.089 573 H ARG 618 HN ARG 618 -37.815 -17.369 24.130 574 HA ARG 618 HA ARG 618 -40.407 -18.655 24.121 575 HB2 ARG 618 HB2 ARG 618 -37.770 -19.611 25.336 576 HB3 ARG 618 HB1 ARG 618 -39.200 -20.608 25.076 577 HG2 ARG 618 HG2 ARG 618 -38.934 -20.312 22.624 578 HG3 ARG 618 HG1 ARG 618 -37.488 -19.341 22.911 579 HD2 ARG 618 HD2 ARG 618 -36.887 -21.652 22.327 580 HD3 ARG 618 HD1 ARG 618 -36.392 -21.278 23.984 581 HE ARG 618 HE ARG 618 -38.992 -22.453 23.915 582 HH11 ARG 618 HH11 ARG 618 -35.591 -23.350 23.724 583 HH12 ARG 618 HH12 ARG 618 -35.881 -24.968 24.273 584 HH21 ARG 618 HH21 ARG 618 -39.341 -24.539 24.626 585 HH22 ARG 618 HH22 ARG 618 -38.017 -25.649 24.785 586 H ALA 619 HN ALA 619 -38.036 -18.279 26.760 587 HA ALA 619 HA ALA 619 -40.128 -18.149 28.796 588 HB1 ALA 619 HB1 ALA 619 -38.284 -18.445 30.396 589 HB2 ALA 619 HB2 ALA 619 -37.104 -18.333 29.084 590 HB3 ALA 619 HB3 ALA 619 -38.234 -19.689 29.148 591 H LYS 620 HN LYS 620 -40.902 -16.094 28.141 592 HA LYS 620 HA LYS 620 -39.391 -13.678 28.334 593 HB2 LYS 620 HB2 LYS 620 -41.501 -13.829 27.035 594 HB3 LYS 620 HB1 LYS 620 -42.395 -14.179 28.500 595 HG2 LYS 620 HG2 LYS 620 -42.917 -11.957 28.273 596 HG3 LYS 620 HG1 LYS 620 -41.472 -11.796 29.265 597 HD2 LYS 620 HD2 LYS 620 -41.525 -11.531 26.223 598 HD3 LYS 620 HD1 LYS 620 -41.610 -10.171 27.341 599 HE2 LYS 620 HE2 LYS 620 -39.352 -10.743 28.187 600 HE3 LYS 620 HE1 LYS 620 -39.279 -12.101 27.064 601 HZ1 LYS 620 HZ1 LYS 620 -38.112 -10.209 26.196 602 HZ2 LYS 620 HZ2 LYS 620 -39.490 -9.241 26.327 603 HZ3 LYS 620 HZ3 LYS 620 -39.470 -10.533 25.235 604 H LYS 621 HN LYS 621 -38.327 -13.479 30.267 605 HA LYS 621 HA LYS 621 -39.893 -13.554 32.787 606 HB2 LYS 621 HB2 LYS 621 -38.140 -15.349 32.596 607 HB3 LYS 621 HB1 LYS 621 -36.913 -14.101 32.445 608 HG2 LYS 621 HG2 LYS 621 -36.964 -15.000 34.722 609 HG3 LYS 621 HG1 LYS 621 -37.417 -13.288 34.721 610 HD2 LYS 621 HD2 LYS 621 -39.813 -13.932 34.873 611 HD3 LYS 621 HD1 LYS 621 -39.360 -15.639 34.848 612 HE2 LYS 621 HE2 LYS 621 -38.149 -15.333 36.992 613 HE3 LYS 621 HE1 LYS 621 -38.623 -13.632 37.013 614 HZ1 LYS 621 HZ1 LYS 621 -40.054 -14.989 38.403 615 HZ2 LYS 621 HZ2 LYS 621 -40.481 -15.950 37.076 616 HZ3 LYS 621 HZ3 LYS 621 -40.934 -14.322 37.120 Start of MODEL 13 1 H PHE 551 HN PHE 551 0.349 -1.820 4.333 2 HA PHE 551 HA PHE 551 0.509 -4.513 4.866 3 HB2 PHE 551 HB2 PHE 551 0.477 -2.840 6.660 4 HB3 PHE 551 HB1 PHE 551 -1.211 -2.464 6.324 5 HD1 PHE 551 HD2 PHE 551 1.044 -5.229 7.471 6 HD2 PHE 551 HD1 PHE 551 -2.945 -3.685 7.445 7 HE1 PHE 551 HE2 PHE 551 0.354 -6.962 9.071 8 HE2 PHE 551 HE1 PHE 551 -3.621 -5.427 9.041 9 HZ PHE 551 HZ PHE 551 -1.976 -7.064 9.849 10 H THR 552 HN THR 552 -0.608 -6.190 4.198 11 HA THR 552 HA THR 552 -3.299 -5.905 3.105 12 HB THR 552 HB THR 552 -2.890 -8.259 2.290 13 HG1 THR 552 HG1 THR 552 -1.296 -8.763 3.955 14 HG21 THR 552 HG21 THR 552 -1.230 -7.631 0.563 15 HG22 THR 552 HG22 THR 552 -0.766 -6.219 1.512 16 HG23 THR 552 HG23 THR 552 -2.391 -6.324 0.827 17 HA PRO 553 HA PRO 553 -4.958 -7.920 6.884 18 HB2 PRO 553 HB2 PRO 553 -7.589 -7.464 5.572 19 HB3 PRO 553 HB1 PRO 553 -6.990 -6.859 7.120 20 HG2 PRO 553 HG2 PRO 553 -7.331 -5.210 5.012 21 HG3 PRO 553 HG1 PRO 553 -5.994 -4.979 6.161 22 HD2 PRO 553 HD2 PRO 553 -5.933 -6.328 3.445 23 HD3 PRO 553 HD1 PRO 553 -4.832 -5.096 4.117 24 H TRP 554 HN TRP 554 -6.996 -9.599 6.895 25 HA TRP 554 HA TRP 554 -6.032 -11.890 5.485 26 HB2 TRP 554 HB2 TRP 554 -8.351 -11.434 7.387 27 HB3 TRP 554 HB1 TRP 554 -8.094 -12.996 6.608 28 HD1 TRP 554 HD1 TRP 554 -6.592 -10.722 9.314 29 HE1 TRP 554 HE1 TRP 554 -4.829 -12.073 10.614 30 HE3 TRP 554 HE3 TRP 554 -6.455 -14.898 6.385 31 HZ2 TRP 554 HZ2 TRP 554 -3.516 -14.556 10.375 32 HZ3 TRP 554 HZ3 TRP 554 -4.921 -16.717 6.992 33 HH2 TRP 554 HH2 TRP 554 -3.483 -16.554 8.953 34 H THR 555 HN THR 555 -6.334 -12.001 3.388 35 HA THR 555 HA THR 555 -8.758 -11.345 1.997 36 HB THR 555 HB THR 555 -7.664 -12.560 0.076 37 HG1 THR 555 HG1 THR 555 -5.412 -13.203 0.503 38 HG21 THR 555 HG21 THR 555 -5.851 -10.548 1.482 39 HG22 THR 555 HG22 THR 555 -7.194 -10.151 0.402 40 HG23 THR 555 HG23 THR 555 -5.774 -10.990 -0.223 41 H THR 556 HN THR 556 -9.886 -13.139 0.660 42 HA THR 556 HA THR 556 -11.196 -14.825 2.506 43 HB THR 556 HB THR 556 -11.337 -15.114 -0.517 44 HG1 THR 556 HG1 THR 556 -13.043 -13.351 0.863 45 HG21 THR 556 HG21 THR 556 -13.697 -15.692 -0.098 46 HG22 THR 556 HG22 THR 556 -13.455 -15.496 1.638 47 HG23 THR 556 HG23 THR 556 -12.624 -16.793 0.773 48 H GLU 557 HN GLU 557 -8.683 -15.464 0.068 49 HA GLU 557 HA GLU 557 -8.671 -18.296 0.208 50 HB2 GLU 557 HB2 GLU 557 -6.391 -18.136 -0.846 51 HB3 GLU 557 HB1 GLU 557 -7.644 -17.238 -1.695 52 HG2 GLU 557 HG2 GLU 557 -6.820 -15.131 -0.671 53 HG3 GLU 557 HG1 GLU 557 -5.552 -16.032 0.158 54 H GLU 558 HN GLU 558 -6.660 -15.858 1.865 55 HA GLU 558 HA GLU 558 -4.990 -17.654 3.280 56 HB2 GLU 558 HB2 GLU 558 -5.725 -14.738 3.799 57 HB3 GLU 558 HB1 GLU 558 -4.486 -15.599 4.714 58 HG2 GLU 558 HG2 GLU 558 -4.402 -15.194 1.705 59 HG3 GLU 558 HG1 GLU 558 -3.629 -14.118 2.869 60 H GLN 559 HN GLN 559 -8.080 -16.139 3.995 61 HA GLN 559 HA GLN 559 -8.278 -16.745 6.749 62 HB2 GLN 559 HB2 GLN 559 -9.659 -15.055 5.389 63 HB3 GLN 559 HB1 GLN 559 -10.618 -16.411 4.825 64 HG2 GLN 559 HG2 GLN 559 -10.295 -15.740 7.763 65 HG3 GLN 559 HG1 GLN 559 -11.556 -15.033 6.763 66 HE21 GLN 559 HE21 GLN 559 -11.734 -16.786 9.138 67 HE22 GLN 559 HE22 GLN 559 -12.678 -18.140 8.650 68 H LYS 560 HN LYS 560 -9.375 -18.439 3.817 69 HA LYS 560 HA LYS 560 -10.566 -20.696 5.101 70 HB2 LYS 560 HB2 LYS 560 -9.490 -20.314 2.277 71 HB3 LYS 560 HB1 LYS 560 -10.334 -21.773 2.797 72 HG2 LYS 560 HG2 LYS 560 -12.375 -20.544 3.178 73 HG3 LYS 560 HG1 LYS 560 -11.558 -18.998 2.917 74 HD2 LYS 560 HD2 LYS 560 -11.184 -19.563 0.555 75 HD3 LYS 560 HD1 LYS 560 -11.903 -21.159 0.793 76 HE2 LYS 560 HE2 LYS 560 -14.077 -20.116 1.294 77 HE3 LYS 560 HE1 LYS 560 -13.364 -18.509 1.121 78 HZ1 LYS 560 HZ1 LYS 560 -12.917 -18.978 -1.184 79 HZ2 LYS 560 HZ2 LYS 560 -14.558 -19.223 -0.861 80 HZ3 LYS 560 HZ3 LYS 560 -13.523 -20.548 -1.030 81 H LEU 561 HN LEU 561 -7.281 -19.999 4.007 82 HA LEU 561 HA LEU 561 -6.183 -22.613 4.422 83 HB2 LEU 561 HB2 LEU 561 -4.857 -19.883 4.274 84 HB3 LEU 561 HB1 LEU 561 -3.967 -21.398 4.342 85 HG LEU 561 HG LEU 561 -5.826 -20.528 2.086 86 HD11 LEU 561 HD11 LEU 561 -3.755 -19.261 2.085 87 HD12 LEU 561 HD12 LEU 561 -3.799 -20.377 0.723 88 HD13 LEU 561 HD13 LEU 561 -2.806 -20.751 2.137 89 HD21 LEU 561 HD21 LEU 561 -5.030 -22.531 0.894 90 HD22 LEU 561 HD22 LEU 561 -5.918 -22.942 2.358 91 HD23 LEU 561 HD23 LEU 561 -4.154 -23.046 2.340 92 H LEU 562 HN LEU 562 -6.734 -19.790 6.456 93 HA LEU 562 HA LEU 562 -5.314 -20.753 8.759 94 HB2 LEU 562 HB2 LEU 562 -5.794 -18.344 8.448 95 HB3 LEU 562 HB1 LEU 562 -7.517 -18.659 8.565 96 HG LEU 562 HG LEU 562 -7.201 -19.402 10.939 97 HD11 LEU 562 HD11 LEU 562 -4.889 -20.163 10.856 98 HD12 LEU 562 HD12 LEU 562 -5.101 -18.958 12.121 99 HD13 LEU 562 HD13 LEU 562 -4.323 -18.509 10.599 100 HD21 LEU 562 HD21 LEU 562 -6.857 -17.177 11.903 101 HD22 LEU 562 HD22 LEU 562 -7.884 -17.108 10.474 102 HD23 LEU 562 HD23 LEU 562 -6.198 -16.599 10.369 103 H GLU 563 HN GLU 563 -8.693 -20.889 7.640 104 HA GLU 563 HA GLU 563 -9.946 -21.968 9.902 105 HB2 GLU 563 HB2 GLU 563 -10.600 -22.266 6.941 106 HB3 GLU 563 HB1 GLU 563 -11.616 -22.960 8.204 107 HG2 GLU 563 HG2 GLU 563 -11.002 -20.015 7.838 108 HG3 GLU 563 HG1 GLU 563 -12.500 -20.833 7.404 109 H GLN 564 HN GLN 564 -8.764 -23.745 7.008 110 HA GLN 564 HA GLN 564 -9.245 -26.352 7.959 111 HB2 GLN 564 HB2 GLN 564 -7.757 -27.114 6.147 112 HB3 GLN 564 HB1 GLN 564 -8.829 -25.835 5.579 113 HG2 GLN 564 HG2 GLN 564 -6.972 -24.201 5.811 114 HG3 GLN 564 HG1 GLN 564 -5.907 -25.505 6.332 115 HE21 GLN 564 HE21 GLN 564 -7.621 -24.113 3.623 116 HE22 GLN 564 HE22 GLN 564 -6.783 -24.983 2.388 117 H ALA 565 HN ALA 565 -6.581 -24.156 8.506 118 HA ALA 565 HA ALA 565 -4.741 -26.049 9.622 119 HB1 ALA 565 HB1 ALA 565 -4.807 -23.035 9.955 120 HB2 ALA 565 HB2 ALA 565 -4.100 -23.877 8.577 121 HB3 ALA 565 HB3 ALA 565 -3.418 -24.110 10.181 122 H LEU 566 HN LEU 566 -7.139 -23.791 10.997 123 HA LEU 566 HA LEU 566 -6.518 -24.259 13.755 124 HB2 LEU 566 HB2 LEU 566 -9.044 -23.159 12.468 125 HB3 LEU 566 HB1 LEU 566 -8.725 -23.137 14.195 126 HG LEU 566 HG LEU 566 -7.123 -21.625 12.089 127 HD11 LEU 566 HD11 LEU 566 -9.342 -20.666 12.358 128 HD12 LEU 566 HD12 LEU 566 -8.111 -19.592 13.016 129 HD13 LEU 566 HD13 LEU 566 -9.115 -20.555 14.106 130 HD21 LEU 566 HD21 LEU 566 -6.860 -21.550 15.109 131 HD22 LEU 566 HD22 LEU 566 -5.989 -20.527 13.959 132 HD23 LEU 566 HD23 LEU 566 -5.711 -22.266 13.974 133 H LYS 567 HN LYS 567 -8.543 -25.814 11.366 134 HA LYS 567 HA LYS 567 -10.081 -27.443 13.196 135 HB2 LYS 567 HB2 LYS 567 -9.733 -27.703 10.178 136 HB3 LYS 567 HB1 LYS 567 -10.920 -28.571 11.144 137 HG2 LYS 567 HG2 LYS 567 -10.835 -25.570 10.705 138 HG3 LYS 567 HG1 LYS 567 -11.923 -26.701 9.900 139 HD2 LYS 567 HD2 LYS 567 -12.960 -27.242 12.083 140 HD3 LYS 567 HD1 LYS 567 -11.856 -26.120 12.892 141 HE2 LYS 567 HE2 LYS 567 -12.840 -24.236 11.640 142 HE3 LYS 567 HE1 LYS 567 -13.908 -25.346 10.777 143 HZ1 LYS 567 HZ1 LYS 567 -13.920 -24.852 13.703 144 HZ2 LYS 567 HZ2 LYS 567 -14.932 -25.930 12.884 145 HZ3 LYS 567 HZ3 LYS 567 -15.044 -24.271 12.586 146 H THR 568 HN THR 568 -7.251 -27.915 11.076 147 HA THR 568 HA THR 568 -7.026 -30.747 11.526 148 HB THR 568 HB THR 568 -5.029 -28.768 10.321 149 HG1 THR 568 HG1 THR 568 -7.199 -29.404 9.281 150 HG21 THR 568 HG21 THR 568 -3.823 -30.775 11.129 151 HG22 THR 568 HG22 THR 568 -3.882 -30.739 9.366 152 HG23 THR 568 HG23 THR 568 -4.960 -31.815 10.257 153 H TYR 569 HN TYR 569 -5.105 -27.939 12.670 154 HA TYR 569 HA TYR 569 -3.480 -29.628 14.405 155 HB2 TYR 569 HB2 TYR 569 -3.449 -26.574 14.251 156 HB3 TYR 569 HB1 TYR 569 -2.177 -27.632 14.869 157 HD1 TYR 569 HD2 TYR 569 -1.767 -29.647 12.831 158 HD2 TYR 569 HD1 TYR 569 -2.675 -25.507 12.341 159 HE1 TYR 569 HE2 TYR 569 -0.742 -29.692 10.603 160 HE2 TYR 569 HE1 TYR 569 -1.654 -25.545 10.109 161 HH TYR 569 HH TYR 569 -0.803 -28.470 8.528 162 HA PRO 570 HA PRO 570 -5.976 -28.487 18.091 163 HB2 PRO 570 HB2 PRO 570 -3.911 -29.638 19.836 164 HB3 PRO 570 HB1 PRO 570 -5.496 -30.303 19.430 165 HG2 PRO 570 HG2 PRO 570 -3.118 -31.414 18.589 166 HG3 PRO 570 HG1 PRO 570 -4.659 -31.613 17.731 167 HD2 PRO 570 HD2 PRO 570 -2.386 -29.715 17.125 168 HD3 PRO 570 HD1 PRO 570 -3.364 -30.704 16.016 169 H VAL 571 HN VAL 571 -5.866 -27.141 19.953 170 HA VAL 571 HA VAL 571 -4.166 -24.852 19.519 171 HB VAL 571 HB VAL 571 -6.587 -24.666 20.084 172 HG11 VAL 571 HG11 VAL 571 -5.779 -25.536 22.891 173 HG12 VAL 571 HG12 VAL 571 -6.780 -26.460 21.769 174 HG13 VAL 571 HG13 VAL 571 -7.369 -24.929 22.417 175 HG21 VAL 571 HG21 VAL 571 -5.104 -22.724 20.379 176 HG22 VAL 571 HG22 VAL 571 -4.746 -23.237 22.032 177 HG23 VAL 571 HG23 VAL 571 -6.383 -22.733 21.602 178 H ASN 572 HN ASN 572 -4.059 -27.612 21.543 179 HA ASN 572 HA ASN 572 -2.369 -26.527 23.634 180 HB2 ASN 572 HB2 ASN 572 -3.083 -29.420 22.966 181 HB3 ASN 572 HB1 ASN 572 -2.200 -28.905 24.397 182 HD21 ASN 572 HD21 ASN 572 -3.309 -27.727 26.034 183 HD22 ASN 572 HD22 ASN 572 -5.036 -27.773 26.140 184 H THR 573 HN THR 573 -1.799 -27.415 20.452 185 HA THR 573 HA THR 573 0.775 -28.648 20.660 186 HB THR 573 HB THR 573 -0.548 -27.265 18.278 187 HG1 THR 573 HG1 THR 573 -0.569 -30.040 18.921 188 HG21 THR 573 HG21 THR 573 0.888 -28.722 16.873 189 HG22 THR 573 HG22 THR 573 1.656 -29.365 18.326 190 HG23 THR 573 HG23 THR 573 1.872 -27.668 17.900 191 HA PRO 574 HA PRO 574 2.932 -24.640 21.400 192 HB2 PRO 574 HB2 PRO 574 5.488 -25.617 21.461 193 HB3 PRO 574 HB1 PRO 574 4.363 -25.811 22.815 194 HG2 PRO 574 HG2 PRO 574 5.036 -27.773 20.612 195 HG3 PRO 574 HG1 PRO 574 4.949 -28.065 22.363 196 HD2 PRO 574 HD2 PRO 574 2.915 -28.725 20.702 197 HD3 PRO 574 HD1 PRO 574 2.597 -28.138 22.352 198 H GLU 575 HN GLU 575 3.384 -26.832 18.725 199 HA GLU 575 HA GLU 575 4.634 -24.715 17.067 200 HB2 GLU 575 HB2 GLU 575 5.236 -26.666 15.514 201 HB3 GLU 575 HB1 GLU 575 6.086 -26.579 17.055 202 HG2 GLU 575 HG2 GLU 575 4.497 -28.299 17.961 203 HG3 GLU 575 HG1 GLU 575 3.804 -28.443 16.348 204 H ARG 576 HN ARG 576 1.717 -25.149 17.800 205 HA ARG 576 HA ARG 576 0.133 -25.975 15.644 206 HB2 ARG 576 HB2 ARG 576 -0.859 -25.325 17.814 207 HB3 ARG 576 HB1 ARG 576 -0.379 -23.647 17.569 208 HG2 ARG 576 HG2 ARG 576 -1.986 -23.631 15.532 209 HG3 ARG 576 HG1 ARG 576 -2.552 -25.210 16.100 210 HD2 ARG 576 HD2 ARG 576 -3.142 -24.201 18.280 211 HD3 ARG 576 HD1 ARG 576 -2.585 -22.642 17.695 212 HE ARG 576 HE ARG 576 -4.626 -22.339 16.802 213 HH11 ARG 576 HH11 ARG 576 -4.190 -25.789 16.700 214 HH12 ARG 576 HH12 ARG 576 -5.852 -26.107 16.352 215 HH21 ARG 576 HH21 ARG 576 -6.849 -22.800 16.401 216 HH22 ARG 576 HH22 ARG 576 -7.323 -24.447 16.175 217 H TRP 577 HN TRP 577 1.187 -22.642 16.371 218 HA TRP 577 HA TRP 577 0.180 -21.529 13.949 219 HB2 TRP 577 HB2 TRP 577 2.108 -20.274 15.945 220 HB3 TRP 577 HB1 TRP 577 1.113 -19.415 14.767 221 HD1 TRP 577 HD1 TRP 577 1.026 -20.695 18.295 222 HE1 TRP 577 HE1 TRP 577 -1.307 -20.392 19.310 223 HE3 TRP 577 HE3 TRP 577 -1.561 -19.444 14.054 224 HZ2 TRP 577 HZ2 TRP 577 -3.905 -19.741 18.447 225 HZ3 TRP 577 HZ3 TRP 577 -3.976 -18.998 14.243 226 HH2 TRP 577 HH2 TRP 577 -5.118 -19.145 16.395 227 H LYS 578 HN LYS 578 3.281 -22.831 14.917 228 HA LYS 578 HA LYS 578 4.881 -21.799 12.803 229 HB2 LYS 578 HB2 LYS 578 5.186 -24.323 14.478 230 HB3 LYS 578 HB1 LYS 578 6.346 -23.863 13.243 231 HG2 LYS 578 HG2 LYS 578 7.288 -23.154 15.280 232 HG3 LYS 578 HG1 LYS 578 6.681 -21.685 14.514 233 HD2 LYS 578 HD2 LYS 578 4.714 -21.696 15.988 234 HD3 LYS 578 HD1 LYS 578 5.222 -23.226 16.702 235 HE2 LYS 578 HE2 LYS 578 7.297 -22.080 17.533 236 HE3 LYS 578 HE1 LYS 578 6.644 -20.555 16.931 237 HZ1 LYS 578 HZ1 LYS 578 4.746 -20.858 18.419 238 HZ2 LYS 578 HZ2 LYS 578 6.207 -20.811 19.265 239 HZ3 LYS 578 HZ3 LYS 578 5.430 -22.289 19.013 240 H LYS 579 HN LYS 579 2.795 -24.659 13.065 241 HA LYS 579 HA LYS 579 3.366 -25.692 10.425 242 HB2 LYS 579 HB2 LYS 579 1.084 -26.253 12.362 243 HB3 LYS 579 HB1 LYS 579 1.371 -27.146 10.867 244 HG2 LYS 579 HG2 LYS 579 3.503 -27.967 11.733 245 HG3 LYS 579 HG1 LYS 579 3.297 -27.017 13.213 246 HD2 LYS 579 HD2 LYS 579 1.238 -28.342 13.732 247 HD3 LYS 579 HD1 LYS 579 1.508 -29.292 12.267 248 HE2 LYS 579 HE2 LYS 579 3.329 -29.190 14.702 249 HE3 LYS 579 HE1 LYS 579 2.296 -30.530 14.207 250 HZ1 LYS 579 HZ1 LYS 579 3.604 -30.820 12.235 251 HZ2 LYS 579 HZ2 LYS 579 4.637 -30.841 13.574 252 HZ3 LYS 579 HZ3 LYS 579 4.555 -29.471 12.591 253 H ILE 580 HN ILE 580 0.965 -23.566 11.896 254 HA ILE 580 HA ILE 580 -0.778 -23.241 9.685 255 HB ILE 580 HB ILE 580 -0.252 -21.448 12.090 256 HG12 ILE 580 HG12 ILE 580 -2.470 -23.418 11.427 257 HG13 ILE 580 HG11 ILE 580 -1.234 -23.618 12.646 258 HG21 ILE 580 HG21 ILE 580 -2.487 -21.104 10.065 259 HG22 ILE 580 HG22 ILE 580 -1.117 -20.015 10.290 260 HG23 ILE 580 HG23 ILE 580 -2.308 -20.208 11.576 261 HD11 ILE 580 HD11 ILE 580 -3.453 -21.582 12.714 262 HD12 ILE 580 HD12 ILE 580 -2.236 -21.849 13.964 263 HD13 ILE 580 HD13 ILE 580 -3.407 -23.111 13.593 264 H ALA 581 HN ALA 581 2.292 -21.746 10.487 265 HA ALA 581 HA ALA 581 2.488 -19.777 8.520 266 HB1 ALA 581 HB1 ALA 581 4.909 -20.034 8.638 267 HB2 ALA 581 HB2 ALA 581 4.733 -21.623 9.403 268 HB3 ALA 581 HB3 ALA 581 4.216 -20.162 10.254 269 H GLU 582 HN GLU 582 2.951 -23.259 8.238 270 HA GLU 582 HA GLU 582 3.722 -23.152 5.435 271 HB2 GLU 582 HB2 GLU 582 3.162 -25.512 7.280 272 HB3 GLU 582 HB1 GLU 582 3.925 -25.611 5.689 273 HG2 GLU 582 HG2 GLU 582 5.826 -24.261 6.509 274 HG3 GLU 582 HG1 GLU 582 5.051 -24.114 8.084 275 H ALA 583 HN ALA 583 0.794 -23.332 7.199 276 HA ALA 583 HA ALA 583 -0.824 -24.380 5.007 277 HB1 ALA 583 HB1 ALA 583 -2.731 -24.048 6.539 278 HB2 ALA 583 HB2 ALA 583 -1.668 -23.254 7.707 279 HB3 ALA 583 HB3 ALA 583 -1.437 -24.960 7.319 280 H VAL 584 HN VAL 584 0.041 -21.288 6.442 281 HA VAL 584 HA VAL 584 -1.701 -19.769 4.581 282 HB VAL 584 HB VAL 584 -0.904 -18.903 7.405 283 HG11 VAL 584 HG11 VAL 584 -1.278 -17.013 5.863 284 HG12 VAL 584 HG12 VAL 584 -2.559 -17.091 7.074 285 HG13 VAL 584 HG13 VAL 584 -2.864 -17.665 5.433 286 HG21 VAL 584 HG21 VAL 584 -2.474 -20.790 7.552 287 HG22 VAL 584 HG22 VAL 584 -3.593 -19.960 6.467 288 HG23 VAL 584 HG23 VAL 584 -3.254 -19.289 8.065 289 HA PRO 585 HA PRO 585 2.569 -18.167 3.818 290 HB2 PRO 585 HB2 PRO 585 2.626 -18.454 1.132 291 HB3 PRO 585 HB1 PRO 585 2.842 -19.832 2.218 292 HG2 PRO 585 HG2 PRO 585 0.502 -19.124 0.529 293 HG3 PRO 585 HG1 PRO 585 1.014 -20.711 1.125 294 HD2 PRO 585 HD2 PRO 585 -1.011 -18.964 2.244 295 HD3 PRO 585 HD1 PRO 585 -0.497 -20.561 2.829 296 H GLY 586 HN GLY 586 2.516 -16.021 4.200 297 HA2 GLY 586 HA2 GLY 586 2.737 -13.903 2.940 298 HA3 GLY 586 HA1 GLY 586 1.131 -14.206 2.296 299 H ARG 587 HN ARG 587 -0.160 -15.043 4.732 300 HA ARG 587 HA ARG 587 -0.080 -12.566 6.325 301 HB2 ARG 587 HB2 ARG 587 -2.147 -14.772 6.145 302 HB3 ARG 587 HB1 ARG 587 -2.168 -13.585 7.447 303 HG2 ARG 587 HG2 ARG 587 -2.403 -12.942 4.475 304 HG3 ARG 587 HG1 ARG 587 -3.735 -13.009 5.631 305 HD2 ARG 587 HD2 ARG 587 -3.187 -10.693 5.361 306 HD3 ARG 587 HD1 ARG 587 -2.580 -11.168 6.944 307 HE ARG 587 HE ARG 587 -0.725 -11.196 4.663 308 HH11 ARG 587 HH11 ARG 587 -1.753 -9.532 7.607 309 HH12 ARG 587 HH12 ARG 587 -0.248 -8.700 7.779 310 HH21 ARG 587 HH21 ARG 587 1.233 -10.083 4.957 311 HH22 ARG 587 HH22 ARG 587 1.419 -8.998 6.296 312 H THR 588 HN THR 588 0.581 -12.473 8.337 313 HA THR 588 HA THR 588 2.374 -14.627 9.136 314 HB THR 588 HB THR 588 3.236 -12.922 10.783 315 HG1 THR 588 HG1 THR 588 0.963 -11.744 10.455 316 HG21 THR 588 HG21 THR 588 3.109 -11.941 7.891 317 HG22 THR 588 HG22 THR 588 4.275 -13.098 8.539 318 HG23 THR 588 HG23 THR 588 4.282 -11.426 9.100 319 H LYS 589 HN LYS 589 2.684 -15.044 11.530 320 HA LYS 589 HA LYS 589 0.241 -16.347 12.318 321 HB2 LYS 589 HB2 LYS 589 3.079 -16.420 13.331 322 HB3 LYS 589 HB1 LYS 589 1.788 -17.253 14.189 323 HG2 LYS 589 HG2 LYS 589 3.052 -18.762 12.720 324 HG3 LYS 589 HG1 LYS 589 1.350 -18.691 12.276 325 HD2 LYS 589 HD2 LYS 589 3.173 -16.833 10.788 326 HD3 LYS 589 HD1 LYS 589 3.420 -18.546 10.484 327 HE2 LYS 589 HE2 LYS 589 1.013 -18.758 9.828 328 HE3 LYS 589 HE1 LYS 589 0.809 -17.025 10.104 329 HZ1 LYS 589 HZ1 LYS 589 1.147 -17.462 7.784 330 HZ2 LYS 589 HZ2 LYS 589 2.595 -18.276 8.089 331 HZ3 LYS 589 HZ3 LYS 589 2.480 -16.619 8.387 332 H LYS 590 HN LYS 590 2.014 -13.551 13.441 333 HA LYS 590 HA LYS 590 0.619 -13.037 15.831 334 HB2 LYS 590 HB2 LYS 590 1.091 -10.564 15.230 335 HB3 LYS 590 HB1 LYS 590 2.477 -11.640 15.397 336 HG2 LYS 590 HG2 LYS 590 2.657 -11.847 12.964 337 HG3 LYS 590 HG1 LYS 590 1.232 -10.831 12.743 338 HD2 LYS 590 HD2 LYS 590 3.803 -9.900 14.085 339 HD3 LYS 590 HD1 LYS 590 3.442 -9.666 12.371 340 HE2 LYS 590 HE2 LYS 590 1.817 -8.564 14.690 341 HE3 LYS 590 HE1 LYS 590 2.928 -7.642 13.673 342 HZ1 LYS 590 HZ1 LYS 590 0.611 -7.381 13.001 343 HZ2 LYS 590 HZ2 LYS 590 0.488 -9.037 12.701 344 HZ3 LYS 590 HZ3 LYS 590 1.532 -8.085 11.773 345 H ASP 591 HN ASP 591 -0.192 -12.343 12.459 346 HA ASP 591 HA ASP 591 -2.741 -11.126 12.910 347 HB2 ASP 591 HB2 ASP 591 -1.483 -12.393 10.439 348 HB3 ASP 591 HB1 ASP 591 -3.095 -11.685 10.424 349 H CYS 592 HN CYS 592 -1.625 -14.453 12.395 350 HA CYS 592 HA CYS 592 -4.148 -15.691 11.998 351 HB2 CYS 592 HB2 CYS 592 -1.586 -16.912 13.109 352 HB3 CYS 592 HB1 CYS 592 -2.971 -17.822 12.507 353 HG CYS 592 HG CYS 592 -1.791 -15.653 10.264 354 H MET 593 HN MET 593 -2.188 -15.158 14.889 355 HA MET 593 HA MET 593 -3.946 -16.390 16.767 356 HB2 MET 593 HB2 MET 593 -1.650 -14.421 17.022 357 HB3 MET 593 HB1 MET 593 -2.576 -14.925 18.428 358 HG2 MET 593 HG2 MET 593 -1.933 -17.258 18.023 359 HG3 MET 593 HG1 MET 593 -1.006 -16.768 16.609 360 HE1 MET 593 HE1 MET 593 0.919 -14.608 17.057 361 HE2 MET 593 HE2 MET 593 1.500 -16.242 16.730 362 HE3 MET 593 HE3 MET 593 2.219 -15.296 18.032 363 H LYS 594 HN LYS 594 -3.558 -13.100 15.536 364 HA LYS 594 HA LYS 594 -5.364 -11.765 17.252 365 HB2 LYS 594 HB2 LYS 594 -3.754 -10.505 15.884 366 HB3 LYS 594 HB1 LYS 594 -4.517 -11.084 14.408 367 HG2 LYS 594 HG2 LYS 594 -5.163 -8.769 14.880 368 HG3 LYS 594 HG1 LYS 594 -6.557 -9.842 14.921 369 HD2 LYS 594 HD2 LYS 594 -6.711 -8.231 16.734 370 HD3 LYS 594 HD1 LYS 594 -6.464 -9.842 17.409 371 HE2 LYS 594 HE2 LYS 594 -5.106 -8.180 18.588 372 HE3 LYS 594 HE1 LYS 594 -4.070 -9.323 17.733 373 HZ1 LYS 594 HZ1 LYS 594 -3.743 -7.696 15.989 374 HZ2 LYS 594 HZ2 LYS 594 -3.329 -7.015 17.479 375 HZ3 LYS 594 HZ3 LYS 594 -4.800 -6.613 16.748 376 H ARG 595 HN ARG 595 -5.812 -13.215 14.014 377 HA ARG 595 HA ARG 595 -8.537 -12.477 13.722 378 HB2 ARG 595 HB2 ARG 595 -6.710 -13.462 11.956 379 HB3 ARG 595 HB1 ARG 595 -7.575 -14.951 12.294 380 HG2 ARG 595 HG2 ARG 595 -8.763 -12.383 11.184 381 HG3 ARG 595 HG1 ARG 595 -8.457 -13.869 10.287 382 HD2 ARG 595 HD2 ARG 595 -10.194 -15.028 11.471 383 HD3 ARG 595 HD1 ARG 595 -10.368 -13.719 12.639 384 HE ARG 595 HE ARG 595 -11.388 -13.795 9.894 385 HH11 ARG 595 HH11 ARG 595 -10.926 -11.801 12.799 386 HH12 ARG 595 HH12 ARG 595 -12.261 -10.758 12.423 387 HH21 ARG 595 HH21 ARG 595 -13.111 -12.401 9.430 388 HH22 ARG 595 HH22 ARG 595 -13.501 -11.101 10.509 389 H TYR 596 HN TYR 596 -6.908 -15.426 14.849 390 HA TYR 596 HA TYR 596 -9.131 -17.052 15.421 391 HB2 TYR 596 HB2 TYR 596 -6.854 -17.919 15.369 392 HB3 TYR 596 HB1 TYR 596 -6.383 -16.904 16.726 393 HD1 TYR 596 HD2 TYR 596 -8.886 -19.581 15.899 394 HD2 TYR 596 HD1 TYR 596 -6.268 -17.947 18.846 395 HE1 TYR 596 HE2 TYR 596 -9.410 -21.455 17.403 396 HE2 TYR 596 HE1 TYR 596 -6.778 -19.817 20.356 397 HH TYR 596 HH TYR 596 -8.523 -21.479 20.725 398 H LYS 597 HN LYS 597 -7.530 -14.538 17.340 399 HA LYS 597 HA LYS 597 -8.918 -14.936 19.786 400 HB2 LYS 597 HB2 LYS 597 -6.743 -13.573 19.272 401 HB3 LYS 597 HB1 LYS 597 -7.817 -12.250 18.858 402 HG2 LYS 597 HG2 LYS 597 -7.788 -13.620 21.572 403 HG3 LYS 597 HG1 LYS 597 -6.815 -12.203 21.182 404 HD2 LYS 597 HD2 LYS 597 -8.942 -10.937 20.713 405 HD3 LYS 597 HD1 LYS 597 -9.863 -12.351 21.243 406 HE2 LYS 597 HE2 LYS 597 -8.830 -12.176 23.484 407 HE3 LYS 597 HE1 LYS 597 -7.898 -10.774 22.953 408 HZ1 LYS 597 HZ1 LYS 597 -10.053 -9.656 22.524 409 HZ2 LYS 597 HZ2 LYS 597 -9.765 -10.015 24.148 410 HZ3 LYS 597 HZ3 LYS 597 -10.834 -10.969 23.253 411 H GLU 598 HN GLU 598 -9.476 -12.799 16.999 412 HA GLU 598 HA GLU 598 -11.847 -11.525 17.862 413 HB2 GLU 598 HB2 GLU 598 -10.937 -12.131 15.017 414 HB3 GLU 598 HB1 GLU 598 -12.209 -10.993 15.455 415 HG2 GLU 598 HG2 GLU 598 -10.587 -9.563 16.579 416 HG3 GLU 598 HG1 GLU 598 -9.300 -10.723 16.256 417 H LEU 599 HN LEU 599 -11.256 -14.617 16.224 418 HA LEU 599 HA LEU 599 -13.948 -15.275 15.575 419 HB2 LEU 599 HB2 LEU 599 -11.558 -17.100 16.088 420 HB3 LEU 599 HB1 LEU 599 -13.105 -17.658 15.466 421 HG LEU 599 HG LEU 599 -11.274 -15.686 14.042 422 HD11 LEU 599 HD11 LEU 599 -11.743 -18.614 13.433 423 HD12 LEU 599 HD12 LEU 599 -10.266 -17.900 14.082 424 HD13 LEU 599 HD13 LEU 599 -10.798 -17.488 12.455 425 HD21 LEU 599 HD21 LEU 599 -13.818 -17.005 13.060 426 HD22 LEU 599 HD22 LEU 599 -12.754 -15.964 12.110 427 HD23 LEU 599 HD23 LEU 599 -13.625 -15.304 13.489 428 H VAL 600 HN VAL 600 -11.884 -15.943 18.408 429 HA VAL 600 HA VAL 600 -13.723 -17.467 19.932 430 HB VAL 600 HB VAL 600 -11.386 -15.727 20.860 431 HG11 VAL 600 HG11 VAL 600 -12.930 -16.069 22.751 432 HG12 VAL 600 HG12 VAL 600 -11.454 -17.004 22.993 433 HG13 VAL 600 HG13 VAL 600 -12.930 -17.809 22.457 434 HG21 VAL 600 HG21 VAL 600 -11.541 -18.738 20.421 435 HG22 VAL 600 HG22 VAL 600 -10.134 -17.863 21.030 436 HG23 VAL 600 HG23 VAL 600 -10.700 -17.590 19.381 437 H GLU 601 HN GLU 601 -13.156 -13.956 19.696 438 HA GLU 601 HA GLU 601 -14.932 -13.081 21.712 439 HB2 GLU 601 HB2 GLU 601 -14.153 -11.648 19.136 440 HB3 GLU 601 HB1 GLU 601 -14.970 -10.896 20.506 441 HG2 GLU 601 HG2 GLU 601 -12.153 -12.005 20.435 442 HG3 GLU 601 HG1 GLU 601 -12.632 -10.313 20.533 443 H MET 602 HN MET 602 -15.406 -13.536 18.211 444 HA MET 602 HA MET 602 -18.101 -12.657 18.157 445 HB2 MET 602 HB2 MET 602 -16.403 -14.204 16.166 446 HB3 MET 602 HB1 MET 602 -18.079 -13.781 15.828 447 HG2 MET 602 HG2 MET 602 -17.502 -11.377 16.118 448 HG3 MET 602 HG1 MET 602 -15.816 -11.831 16.364 449 HE1 MET 602 HE1 MET 602 -14.665 -12.961 12.833 450 HE2 MET 602 HE2 MET 602 -15.060 -13.953 14.238 451 HE3 MET 602 HE3 MET 602 -14.159 -12.451 14.444 452 H VAL 603 HN VAL 603 -16.646 -15.854 18.610 453 HA VAL 603 HA VAL 603 -19.054 -17.385 18.346 454 HB VAL 603 HB VAL 603 -16.376 -17.995 19.675 455 HG11 VAL 603 HG11 VAL 603 -17.091 -20.359 19.897 456 HG12 VAL 603 HG12 VAL 603 -18.715 -19.918 19.374 457 HG13 VAL 603 HG13 VAL 603 -18.083 -19.292 20.899 458 HG21 VAL 603 HG21 VAL 603 -16.353 -17.883 17.199 459 HG22 VAL 603 HG22 VAL 603 -17.633 -19.095 17.135 460 HG23 VAL 603 HG23 VAL 603 -16.044 -19.525 17.771 461 H LYS 604 HN LYS 604 -17.204 -16.296 21.231 462 HA LYS 604 HA LYS 604 -19.011 -17.331 23.146 463 HB2 LYS 604 HB2 LYS 604 -16.779 -15.283 23.319 464 HB3 LYS 604 HB1 LYS 604 -17.754 -15.687 24.734 465 HG2 LYS 604 HG2 LYS 604 -17.070 -18.032 24.571 466 HG3 LYS 604 HG1 LYS 604 -16.143 -17.681 23.108 467 HD2 LYS 604 HD2 LYS 604 -14.534 -16.382 24.310 468 HD3 LYS 604 HD1 LYS 604 -15.552 -16.300 25.752 469 HE2 LYS 604 HE2 LYS 604 -13.637 -17.878 25.999 470 HE3 LYS 604 HE1 LYS 604 -15.200 -18.668 26.190 471 HZ1 LYS 604 HZ1 LYS 604 -13.655 -19.969 24.839 472 HZ2 LYS 604 HZ2 LYS 604 -13.564 -18.713 23.711 473 HZ3 LYS 604 HZ3 LYS 604 -15.024 -19.521 23.951 474 H ALA 605 HN ALA 605 -18.620 -14.010 21.901 475 HA ALA 605 HA ALA 605 -20.536 -12.750 23.545 476 HB1 ALA 605 HB1 ALA 605 -20.443 -10.873 21.961 477 HB2 ALA 605 HB2 ALA 605 -19.623 -11.895 20.773 478 HB3 ALA 605 HB3 ALA 605 -18.825 -11.489 22.294 479 H LYS 606 HN LYS 606 -20.827 -14.149 20.283 480 HA LYS 606 HA LYS 606 -23.506 -13.310 19.808 481 HB2 LYS 606 HB2 LYS 606 -21.884 -13.869 18.020 482 HB3 LYS 606 HB1 LYS 606 -21.905 -15.553 18.520 483 HG2 LYS 606 HG2 LYS 606 -24.230 -15.776 17.833 484 HG3 LYS 606 HG1 LYS 606 -24.316 -14.056 17.438 485 HD2 LYS 606 HD2 LYS 606 -22.573 -16.142 16.058 486 HD3 LYS 606 HD1 LYS 606 -24.034 -15.407 15.394 487 HE2 LYS 606 HE2 LYS 606 -22.926 -13.210 15.335 488 HE3 LYS 606 HE1 LYS 606 -21.490 -13.896 16.095 489 HZ1 LYS 606 HZ1 LYS 606 -21.180 -15.298 14.174 490 HZ2 LYS 606 HZ2 LYS 606 -21.223 -13.671 13.721 491 HZ3 LYS 606 HZ3 LYS 606 -22.563 -14.660 13.445 492 H LYS 607 HN LYS 607 -22.109 -16.442 20.834 493 HA LYS 607 HA LYS 607 -24.573 -17.855 20.960 494 HB2 LYS 607 HB2 LYS 607 -21.856 -18.433 22.195 495 HB3 LYS 607 HB1 LYS 607 -23.222 -19.544 22.327 496 HG2 LYS 607 HG2 LYS 607 -23.307 -19.700 19.851 497 HG3 LYS 607 HG1 LYS 607 -21.902 -18.630 19.749 498 HD2 LYS 607 HD2 LYS 607 -20.522 -20.288 20.918 499 HD3 LYS 607 HD1 LYS 607 -21.924 -21.347 21.132 500 HE2 LYS 607 HE2 LYS 607 -22.101 -21.625 18.693 501 HE3 LYS 607 HE1 LYS 607 -20.753 -20.512 18.449 502 HZ1 LYS 607 HZ1 LYS 607 -20.609 -23.114 19.850 503 HZ2 LYS 607 HZ2 LYS 607 -19.318 -22.061 19.584 504 HZ3 LYS 607 HZ3 LYS 607 -20.078 -22.807 18.275 505 H ALA 608 HN ALA 608 -22.768 -15.976 23.352 506 HA ALA 608 HA ALA 608 -24.401 -16.598 25.619 507 HB1 ALA 608 HB1 ALA 608 -23.358 -14.616 26.662 508 HB2 ALA 608 HB2 ALA 608 -22.696 -14.128 25.097 509 HB3 ALA 608 HB3 ALA 608 -22.145 -15.619 25.864 510 H ALA 609 HN ALA 609 -24.489 -14.092 23.109 511 HA ALA 609 HA ALA 609 -26.609 -12.518 24.150 512 HB1 ALA 609 HB1 ALA 609 -25.046 -11.691 22.435 513 HB2 ALA 609 HB2 ALA 609 -26.719 -11.521 21.899 514 HB3 ALA 609 HB3 ALA 609 -25.710 -12.826 21.260 515 H GLN 610 HN GLN 610 -26.571 -15.333 22.004 516 HA GLN 610 HA GLN 610 -29.365 -15.299 21.350 517 HB2 GLN 610 HB2 GLN 610 -27.312 -17.552 21.167 518 HB3 GLN 610 HB1 GLN 610 -28.932 -17.614 20.474 519 HG2 GLN 610 HG2 GLN 610 -26.750 -15.660 19.682 520 HG3 GLN 610 HG1 GLN 610 -27.193 -17.107 18.787 521 HE21 GLN 610 HE21 GLN 610 -29.126 -17.119 17.599 522 HE22 GLN 610 HE22 GLN 610 -29.995 -15.671 17.239 523 H GLU 611 HN GLU 611 -27.384 -16.845 23.828 524 HA GLU 611 HA GLU 611 -29.379 -18.704 24.712 525 HB2 GLU 611 HB2 GLU 611 -26.891 -19.072 24.889 526 HB3 GLU 611 HB1 GLU 611 -26.817 -17.817 26.121 527 HG2 GLU 611 HG2 GLU 611 -28.285 -19.188 27.579 528 HG3 GLU 611 HG1 GLU 611 -28.329 -20.441 26.341 529 H GLN 612 HN GLN 612 -28.214 -15.545 25.870 530 HA GLN 612 HA GLN 612 -29.606 -15.524 28.365 531 HB2 GLN 612 HB2 GLN 612 -28.968 -13.176 28.504 532 HB3 GLN 612 HB1 GLN 612 -27.617 -14.109 27.871 533 HG2 GLN 612 HG2 GLN 612 -28.180 -13.334 25.582 534 HG3 GLN 612 HG1 GLN 612 -29.510 -12.388 26.238 535 HE21 GLN 612 HE21 GLN 612 -26.288 -12.691 27.704 536 HE22 GLN 612 HE22 GLN 612 -25.859 -11.030 27.473 537 H VAL 613 HN VAL 613 -30.534 -14.690 25.138 538 HA VAL 613 HA VAL 613 -33.045 -13.413 25.874 539 HB VAL 613 HB VAL 613 -31.927 -14.301 23.172 540 HG11 VAL 613 HG11 VAL 613 -33.724 -12.952 22.118 541 HG12 VAL 613 HG12 VAL 613 -34.433 -12.646 23.703 542 HG13 VAL 613 HG13 VAL 613 -34.402 -14.288 23.055 543 HG21 VAL 613 HG21 VAL 613 -31.529 -11.893 22.788 544 HG22 VAL 613 HG22 VAL 613 -30.655 -12.455 24.217 545 HG23 VAL 613 HG23 VAL 613 -32.147 -11.523 24.400 546 H LEU 614 HN LEU 614 -31.853 -16.573 24.911 547 HA LEU 614 HA LEU 614 -34.345 -17.771 24.264 548 HB2 LEU 614 HB2 LEU 614 -31.933 -18.457 23.575 549 HB3 LEU 614 HB1 LEU 614 -31.866 -19.317 25.097 550 HG LEU 614 HG LEU 614 -34.080 -19.890 23.090 551 HD11 LEU 614 HD11 LEU 614 -32.002 -20.097 21.833 552 HD12 LEU 614 HD12 LEU 614 -32.731 -21.677 22.109 553 HD13 LEU 614 HD13 LEU 614 -31.333 -21.171 23.065 554 HD21 LEU 614 HD21 LEU 614 -34.366 -20.845 25.337 555 HD22 LEU 614 HD22 LEU 614 -32.794 -21.634 25.222 556 HD23 LEU 614 HD23 LEU 614 -34.105 -22.116 24.142 557 H ASN 615 HN ASN 615 -32.559 -17.414 27.295 558 HA ASN 615 HA ASN 615 -33.996 -19.370 28.795 559 HB2 ASN 615 HB2 ASN 615 -33.017 -18.369 30.803 560 HB3 ASN 615 HB1 ASN 615 -31.799 -18.575 29.559 561 HD21 ASN 615 HD21 ASN 615 -30.429 -17.061 30.484 562 HD22 ASN 615 HD22 ASN 615 -30.759 -15.366 30.482 563 H ALA 616 HN ALA 616 -34.841 -16.158 27.829 564 HA ALA 616 HA ALA 616 -36.964 -15.750 29.742 565 HB1 ALA 616 HB1 ALA 616 -37.631 -13.901 28.244 566 HB2 ALA 616 HB2 ALA 616 -36.475 -14.457 27.031 567 HB3 ALA 616 HB3 ALA 616 -35.899 -13.857 28.588 568 H SER 617 HN SER 617 -36.632 -17.174 26.528 569 HA SER 617 HA SER 617 -39.467 -17.682 26.144 570 HB2 SER 617 HB2 SER 617 -37.946 -17.144 24.237 571 HB3 SER 617 HB1 SER 617 -37.039 -18.621 24.545 572 HG SER 617 HG SER 617 -39.603 -18.284 23.442 573 H ARG 618 HN ARG 618 -36.800 -19.305 27.638 574 HA ARG 618 HA ARG 618 -38.019 -21.989 27.435 575 HB2 ARG 618 HB2 ARG 618 -35.707 -21.924 26.725 576 HB3 ARG 618 HB1 ARG 618 -35.212 -21.085 28.186 577 HG2 ARG 618 HG2 ARG 618 -34.514 -23.425 28.254 578 HG3 ARG 618 HG1 ARG 618 -35.687 -23.095 29.527 579 HD2 ARG 618 HD2 ARG 618 -37.466 -24.108 28.076 580 HD3 ARG 618 HD1 ARG 618 -36.217 -24.539 26.904 581 HE ARG 618 HE ARG 618 -35.320 -26.088 28.436 582 HH11 ARG 618 HH11 ARG 618 -38.273 -24.620 29.694 583 HH12 ARG 618 HH12 ARG 618 -38.486 -25.831 30.915 584 HH21 ARG 618 HH21 ARG 618 -35.592 -27.628 30.066 585 HH22 ARG 618 HH22 ARG 618 -36.969 -27.549 31.123 586 H ALA 619 HN ALA 619 -36.391 -19.994 29.927 587 HA ALA 619 HA ALA 619 -37.447 -21.645 32.088 588 HB1 ALA 619 HB1 ALA 619 -35.092 -20.898 32.153 589 HB2 ALA 619 HB2 ALA 619 -36.002 -20.273 33.529 590 HB3 ALA 619 HB3 ALA 619 -35.625 -19.210 32.174 591 H LYS 620 HN LYS 620 -38.978 -21.063 33.527 592 HA LYS 620 HA LYS 620 -40.577 -18.620 33.057 593 HB2 LYS 620 HB2 LYS 620 -42.322 -19.812 34.412 594 HB3 LYS 620 HB1 LYS 620 -41.847 -20.693 32.962 595 HG2 LYS 620 HG2 LYS 620 -40.332 -22.107 34.424 596 HG3 LYS 620 HG1 LYS 620 -41.054 -21.317 35.830 597 HD2 LYS 620 HD2 LYS 620 -43.268 -22.196 35.219 598 HD3 LYS 620 HD1 LYS 620 -42.610 -22.914 33.745 599 HE2 LYS 620 HE2 LYS 620 -41.165 -24.386 35.154 600 HE3 LYS 620 HE1 LYS 620 -41.903 -23.693 36.601 601 HZ1 LYS 620 HZ1 LYS 620 -43.446 -25.077 34.481 602 HZ2 LYS 620 HZ2 LYS 620 -43.986 -24.621 36.018 603 HZ3 LYS 620 HZ3 LYS 620 -42.839 -25.850 35.854 604 H LYS 621 HN LYS 621 -38.327 -19.989 35.233 605 HA LYS 621 HA LYS 621 -39.068 -18.359 37.546 606 HB2 LYS 621 HB2 LYS 621 -38.376 -20.712 37.913 607 HB3 LYS 621 HB1 LYS 621 -36.822 -20.393 37.150 608 HG2 LYS 621 HG2 LYS 621 -36.240 -18.836 38.983 609 HG3 LYS 621 HG1 LYS 621 -37.808 -19.140 39.735 610 HD2 LYS 621 HD2 LYS 621 -35.650 -21.236 39.266 611 HD3 LYS 621 HD1 LYS 621 -35.973 -20.433 40.803 612 HE2 LYS 621 HE2 LYS 621 -37.930 -22.228 39.311 613 HE3 LYS 621 HE1 LYS 621 -36.970 -22.694 40.716 614 HZ1 LYS 621 HZ1 LYS 621 -38.101 -20.979 41.996 615 HZ2 LYS 621 HZ2 LYS 621 -39.190 -22.110 41.376 616 HZ3 LYS 621 HZ3 LYS 621 -39.057 -20.587 40.661 Start of MODEL 14 1 H PHE 551 HN PHE 551 -2.825 -1.613 2.370 2 HA PHE 551 HA PHE 551 -1.727 -3.848 3.973 3 HB2 PHE 551 HB2 PHE 551 -2.469 -2.272 5.635 4 HB3 PHE 551 HB1 PHE 551 -3.929 -1.879 4.735 5 HD1 PHE 551 HD2 PHE 551 -2.284 -4.830 6.429 6 HD2 PHE 551 HD1 PHE 551 -5.958 -2.873 5.433 7 HE1 PHE 551 HE2 PHE 551 -3.540 -6.509 7.719 8 HE2 PHE 551 HE1 PHE 551 -7.201 -4.565 6.718 9 HZ PHE 551 HZ PHE 551 -5.992 -6.381 7.865 10 H THR 552 HN THR 552 -2.433 -5.737 3.189 11 HA THR 552 HA THR 552 -5.008 -5.922 1.766 12 HB THR 552 HB THR 552 -4.155 -8.262 1.145 13 HG1 THR 552 HG1 THR 552 -1.737 -8.355 1.335 14 HG21 THR 552 HG21 THR 552 -3.998 -6.394 -0.472 15 HG22 THR 552 HG22 THR 552 -2.605 -7.467 -0.612 16 HG23 THR 552 HG23 THR 552 -2.442 -5.916 0.216 17 HA PRO 553 HA PRO 553 -6.486 -7.831 5.649 18 HB2 PRO 553 HB2 PRO 553 -9.105 -8.043 5.019 19 HB3 PRO 553 HB1 PRO 553 -8.363 -6.462 5.317 20 HG2 PRO 553 HG2 PRO 553 -8.985 -7.806 2.684 21 HG3 PRO 553 HG1 PRO 553 -9.277 -6.122 3.169 22 HD2 PRO 553 HD2 PRO 553 -7.099 -6.926 1.669 23 HD3 PRO 553 HD1 PRO 553 -7.088 -5.486 2.713 24 H TRP 554 HN TRP 554 -7.645 -9.904 6.227 25 HA TRP 554 HA TRP 554 -6.627 -12.159 4.873 26 HB2 TRP 554 HB2 TRP 554 -8.817 -11.881 6.971 27 HB3 TRP 554 HB1 TRP 554 -8.311 -13.447 6.344 28 HD1 TRP 554 HD1 TRP 554 -6.947 -10.507 8.486 29 HE1 TRP 554 HE1 TRP 554 -5.001 -11.400 9.917 30 HE3 TRP 554 HE3 TRP 554 -6.545 -15.203 6.488 31 HZ2 TRP 554 HZ2 TRP 554 -3.480 -13.764 10.155 32 HZ3 TRP 554 HZ3 TRP 554 -4.820 -16.719 7.373 33 HH2 TRP 554 HH2 TRP 554 -3.318 -16.016 9.172 34 H THR 555 HN THR 555 -7.155 -12.322 2.761 35 HA THR 555 HA THR 555 -9.728 -11.818 1.639 36 HB THR 555 HB THR 555 -8.781 -12.722 -0.470 37 HG1 THR 555 HG1 THR 555 -6.282 -13.173 0.711 38 HG21 THR 555 HG21 THR 555 -8.215 -10.392 0.130 39 HG22 THR 555 HG22 THR 555 -6.888 -11.170 -0.732 40 HG23 THR 555 HG23 THR 555 -6.793 -10.962 1.016 41 H THR 556 HN THR 556 -10.761 -13.583 0.183 42 HA THR 556 HA THR 556 -12.100 -15.341 1.846 43 HB THR 556 HB THR 556 -11.829 -15.553 -1.180 44 HG1 THR 556 HG1 THR 556 -13.685 -14.043 0.378 45 HG21 THR 556 HG21 THR 556 -14.123 -16.478 -1.119 46 HG22 THR 556 HG22 THR 556 -14.114 -16.418 0.643 47 HG23 THR 556 HG23 THR 556 -13.012 -17.503 -0.206 48 H GLU 557 HN GLU 557 -9.405 -16.031 -0.368 49 HA GLU 557 HA GLU 557 -9.309 -18.847 0.080 50 HB2 GLU 557 HB2 GLU 557 -6.975 -18.690 -0.964 51 HB3 GLU 557 HB1 GLU 557 -8.320 -18.188 -1.972 52 HG2 GLU 557 HG2 GLU 557 -6.882 -16.046 -0.439 53 HG3 GLU 557 HG1 GLU 557 -6.019 -16.796 -1.777 54 H GLU 558 HN GLU 558 -7.287 -16.148 1.345 55 HA GLU 558 HA GLU 558 -5.476 -17.742 2.842 56 HB2 GLU 558 HB2 GLU 558 -6.251 -14.820 3.259 57 HB3 GLU 558 HB1 GLU 558 -4.842 -15.606 3.974 58 HG2 GLU 558 HG2 GLU 558 -3.948 -16.001 1.684 59 HG3 GLU 558 HG1 GLU 558 -5.334 -15.134 1.019 60 H GLN 559 HN GLN 559 -8.539 -16.278 3.672 61 HA GLN 559 HA GLN 559 -8.439 -16.563 6.490 62 HB2 GLN 559 HB2 GLN 559 -9.970 -14.977 5.363 63 HB3 GLN 559 HB1 GLN 559 -10.853 -16.312 4.640 64 HG2 GLN 559 HG2 GLN 559 -12.107 -15.436 6.508 65 HG3 GLN 559 HG1 GLN 559 -11.554 -17.061 6.908 66 HE21 GLN 559 HE21 GLN 559 -9.982 -17.319 8.550 67 HE22 GLN 559 HE22 GLN 559 -9.585 -16.043 9.642 68 H LYS 560 HN LYS 560 -9.907 -18.543 3.902 69 HA LYS 560 HA LYS 560 -10.976 -20.529 5.669 70 HB2 LYS 560 HB2 LYS 560 -10.523 -20.594 2.660 71 HB3 LYS 560 HB1 LYS 560 -11.346 -21.869 3.558 72 HG2 LYS 560 HG2 LYS 560 -13.039 -20.176 4.304 73 HG3 LYS 560 HG1 LYS 560 -12.249 -18.986 3.266 74 HD2 LYS 560 HD2 LYS 560 -13.455 -21.601 2.260 75 HD3 LYS 560 HD1 LYS 560 -14.316 -20.064 2.286 76 HE2 LYS 560 HE2 LYS 560 -13.515 -20.378 0.054 77 HE3 LYS 560 HE1 LYS 560 -12.502 -19.134 0.773 78 HZ1 LYS 560 HZ1 LYS 560 -11.262 -20.767 -0.533 79 HZ2 LYS 560 HZ2 LYS 560 -11.743 -21.993 0.528 80 HZ3 LYS 560 HZ3 LYS 560 -10.763 -20.732 1.080 81 H LEU 561 HN LEU 561 -7.935 -20.231 3.885 82 HA LEU 561 HA LEU 561 -6.848 -22.792 4.418 83 HB2 LEU 561 HB2 LEU 561 -5.456 -20.109 4.048 84 HB3 LEU 561 HB1 LEU 561 -4.595 -21.639 4.150 85 HG LEU 561 HG LEU 561 -6.612 -20.931 1.970 86 HD11 LEU 561 HD11 LEU 561 -4.615 -19.531 1.776 87 HD12 LEU 561 HD12 LEU 561 -4.689 -20.703 0.464 88 HD13 LEU 561 HD13 LEU 561 -3.579 -20.961 1.815 89 HD21 LEU 561 HD21 LEU 561 -6.483 -23.356 2.394 90 HD22 LEU 561 HD22 LEU 561 -4.732 -23.313 2.172 91 HD23 LEU 561 HD23 LEU 561 -5.805 -22.942 0.820 92 H LEU 562 HN LEU 562 -7.000 -19.805 6.314 93 HA LEU 562 HA LEU 562 -5.457 -20.706 8.533 94 HB2 LEU 562 HB2 LEU 562 -5.901 -18.291 8.133 95 HB3 LEU 562 HB1 LEU 562 -7.605 -18.545 8.462 96 HG LEU 562 HG LEU 562 -6.937 -19.291 10.812 97 HD11 LEU 562 HD11 LEU 562 -4.241 -18.108 10.095 98 HD12 LEU 562 HD12 LEU 562 -4.581 -19.810 10.426 99 HD13 LEU 562 HD13 LEU 562 -4.769 -18.614 11.703 100 HD21 LEU 562 HD21 LEU 562 -6.310 -16.415 10.093 101 HD22 LEU 562 HD22 LEU 562 -6.693 -17.027 11.707 102 HD23 LEU 562 HD23 LEU 562 -7.911 -17.082 10.432 103 H GLU 563 HN GLU 563 -8.981 -20.691 7.870 104 HA GLU 563 HA GLU 563 -9.924 -21.677 10.320 105 HB2 GLU 563 HB2 GLU 563 -11.171 -22.211 7.588 106 HB3 GLU 563 HB1 GLU 563 -11.987 -22.343 9.149 107 HG2 GLU 563 HG2 GLU 563 -11.036 -19.836 7.743 108 HG3 GLU 563 HG1 GLU 563 -12.693 -20.316 8.096 109 H GLN 564 HN GLN 564 -8.815 -23.372 7.441 110 HA GLN 564 HA GLN 564 -9.280 -26.035 8.212 111 HB2 GLN 564 HB2 GLN 564 -8.712 -25.441 5.901 112 HB3 GLN 564 HB1 GLN 564 -7.132 -24.850 6.403 113 HG2 GLN 564 HG2 GLN 564 -6.510 -27.169 7.076 114 HG3 GLN 564 HG1 GLN 564 -8.074 -27.735 6.500 115 HE21 GLN 564 HE21 GLN 564 -4.951 -26.497 5.560 116 HE22 GLN 564 HE22 GLN 564 -5.050 -26.938 3.896 117 H ALA 565 HN ALA 565 -6.401 -23.985 8.507 118 HA ALA 565 HA ALA 565 -4.712 -25.953 9.664 119 HB1 ALA 565 HB1 ALA 565 -3.100 -24.139 9.871 120 HB2 ALA 565 HB2 ALA 565 -4.372 -22.940 9.612 121 HB3 ALA 565 HB3 ALA 565 -3.914 -24.037 8.309 122 H LEU 566 HN LEU 566 -6.831 -23.521 11.069 123 HA LEU 566 HA LEU 566 -5.866 -23.559 13.749 124 HB2 LEU 566 HB2 LEU 566 -8.582 -22.805 12.597 125 HB3 LEU 566 HB1 LEU 566 -8.161 -22.591 14.292 126 HG LEU 566 HG LEU 566 -6.751 -21.206 11.970 127 HD11 LEU 566 HD11 LEU 566 -8.791 -20.069 13.899 128 HD12 LEU 566 HD12 LEU 566 -9.027 -20.363 12.174 129 HD13 LEU 566 HD13 LEU 566 -7.868 -19.148 12.710 130 HD21 LEU 566 HD21 LEU 566 -5.688 -19.808 13.680 131 HD22 LEU 566 HD22 LEU 566 -5.270 -21.506 13.897 132 HD23 LEU 566 HD23 LEU 566 -6.467 -20.751 14.953 133 H LYS 567 HN LYS 567 -8.219 -25.408 11.932 134 HA LYS 567 HA LYS 567 -9.216 -26.933 14.184 135 HB2 LYS 567 HB2 LYS 567 -10.641 -26.197 12.258 136 HB3 LYS 567 HB1 LYS 567 -9.712 -27.234 11.184 137 HG2 LYS 567 HG2 LYS 567 -11.170 -28.402 13.567 138 HG3 LYS 567 HG1 LYS 567 -12.056 -28.003 12.093 139 HD2 LYS 567 HD2 LYS 567 -10.625 -29.539 10.798 140 HD3 LYS 567 HD1 LYS 567 -9.681 -29.907 12.243 141 HE2 LYS 567 HE2 LYS 567 -11.748 -30.836 13.302 142 HE3 LYS 567 HE1 LYS 567 -12.608 -30.568 11.782 143 HZ1 LYS 567 HZ1 LYS 567 -11.026 -32.065 10.699 144 HZ2 LYS 567 HZ2 LYS 567 -11.845 -32.838 11.962 145 HZ3 LYS 567 HZ3 LYS 567 -10.248 -32.333 12.179 146 H THR 568 HN THR 568 -6.856 -27.335 11.593 147 HA THR 568 HA THR 568 -6.564 -30.179 11.789 148 HB THR 568 HB THR 568 -4.699 -28.130 10.500 149 HG1 THR 568 HG1 THR 568 -7.026 -28.604 9.753 150 HG21 THR 568 HG21 THR 568 -4.787 -31.153 10.161 151 HG22 THR 568 HG22 THR 568 -3.482 -30.237 10.921 152 HG23 THR 568 HG23 THR 568 -3.806 -30.048 9.197 153 H TYR 569 HN TYR 569 -4.753 -27.400 13.075 154 HA TYR 569 HA TYR 569 -3.238 -29.189 14.892 155 HB2 TYR 569 HB2 TYR 569 -2.551 -26.253 14.508 156 HB3 TYR 569 HB1 TYR 569 -1.502 -27.575 14.996 157 HD1 TYR 569 HD2 TYR 569 -1.314 -29.508 13.045 158 HD2 TYR 569 HD1 TYR 569 -2.168 -25.373 12.373 159 HE1 TYR 569 HE2 TYR 569 -0.582 -29.731 10.711 160 HE2 TYR 569 HE1 TYR 569 -1.449 -25.609 10.032 161 HH TYR 569 HH TYR 569 -0.031 -27.065 8.673 162 HA PRO 570 HA PRO 570 -6.522 -27.470 17.683 163 HB2 PRO 570 HB2 PRO 570 -5.326 -29.449 19.594 164 HB3 PRO 570 HB1 PRO 570 -7.012 -29.233 19.110 165 HG2 PRO 570 HG2 PRO 570 -5.566 -31.316 18.223 166 HG3 PRO 570 HG1 PRO 570 -6.759 -30.515 17.175 167 HD2 PRO 570 HD2 PRO 570 -3.755 -30.237 17.204 168 HD3 PRO 570 HD1 PRO 570 -4.863 -30.348 15.817 169 H VAL 571 HN VAL 571 -6.350 -26.720 20.119 170 HA VAL 571 HA VAL 571 -4.446 -24.606 19.928 171 HB VAL 571 HB VAL 571 -6.784 -24.389 20.890 172 HG11 VAL 571 HG11 VAL 571 -6.762 -26.325 22.439 173 HG12 VAL 571 HG12 VAL 571 -7.175 -24.828 23.275 174 HG13 VAL 571 HG13 VAL 571 -5.555 -25.511 23.441 175 HG21 VAL 571 HG21 VAL 571 -6.147 -22.596 22.466 176 HG22 VAL 571 HG22 VAL 571 -5.119 -22.581 21.029 177 HG23 VAL 571 HG23 VAL 571 -4.504 -23.243 22.544 178 H ASN 572 HN ASN 572 -4.393 -27.653 21.608 179 HA ASN 572 HA ASN 572 -2.173 -26.901 23.350 180 HB2 ASN 572 HB2 ASN 572 -3.653 -29.541 22.999 181 HB3 ASN 572 HB1 ASN 572 -2.340 -29.282 24.147 182 HD21 ASN 572 HD21 ASN 572 -2.681 -27.812 25.917 183 HD22 ASN 572 HD22 ASN 572 -4.282 -27.455 26.460 184 H THR 573 HN THR 573 -2.253 -27.505 20.148 185 HA THR 573 HA THR 573 0.183 -29.044 19.862 186 HB THR 573 HB THR 573 -1.123 -27.148 17.842 187 HG1 THR 573 HG1 THR 573 -2.629 -28.654 18.089 188 HG21 THR 573 HG21 THR 573 1.223 -27.740 17.256 189 HG22 THR 573 HG22 THR 573 0.073 -28.459 16.126 190 HG23 THR 573 HG23 THR 573 0.815 -29.452 17.381 191 HA PRO 574 HA PRO 574 2.560 -25.273 21.114 192 HB2 PRO 574 HB2 PRO 574 5.047 -26.426 21.143 193 HB3 PRO 574 HB1 PRO 574 3.884 -26.623 22.464 194 HG2 PRO 574 HG2 PRO 574 4.471 -28.488 20.158 195 HG3 PRO 574 HG1 PRO 574 4.305 -28.870 21.886 196 HD2 PRO 574 HD2 PRO 574 2.275 -29.281 20.145 197 HD3 PRO 574 HD1 PRO 574 1.963 -28.753 21.818 198 H GLU 575 HN GLU 575 2.749 -27.187 18.290 199 HA GLU 575 HA GLU 575 4.474 -25.309 16.807 200 HB2 GLU 575 HB2 GLU 575 3.460 -28.067 15.987 201 HB3 GLU 575 HB1 GLU 575 4.703 -27.116 15.176 202 HG2 GLU 575 HG2 GLU 575 6.200 -27.414 17.110 203 HG3 GLU 575 HG1 GLU 575 4.945 -28.320 17.958 204 H ARG 576 HN ARG 576 1.401 -25.146 17.567 205 HA ARG 576 HA ARG 576 -0.265 -25.689 15.392 206 HB2 ARG 576 HB2 ARG 576 -1.154 -25.066 17.644 207 HB3 ARG 576 HB1 ARG 576 -0.562 -23.424 17.422 208 HG2 ARG 576 HG2 ARG 576 -2.140 -23.254 15.404 209 HG3 ARG 576 HG1 ARG 576 -2.832 -24.792 15.933 210 HD2 ARG 576 HD2 ARG 576 -3.412 -23.751 18.116 211 HD3 ARG 576 HD1 ARG 576 -2.735 -22.228 17.542 212 HE ARG 576 HE ARG 576 -4.528 -22.013 15.984 213 HH11 ARG 576 HH11 ARG 576 -4.973 -24.776 18.052 214 HH12 ARG 576 HH12 ARG 576 -6.702 -24.722 17.970 215 HH21 ARG 576 HH21 ARG 576 -6.833 -21.957 15.910 216 HH22 ARG 576 HH22 ARG 576 -7.735 -23.155 16.776 217 H TRP 577 HN TRP 577 1.067 -22.532 16.289 218 HA TRP 577 HA TRP 577 0.088 -21.166 13.979 219 HB2 TRP 577 HB2 TRP 577 2.121 -20.224 16.054 220 HB3 TRP 577 HB1 TRP 577 1.192 -19.201 14.957 221 HD1 TRP 577 HD1 TRP 577 1.027 -20.687 18.384 222 HE1 TRP 577 HE1 TRP 577 -1.292 -20.292 19.423 223 HE3 TRP 577 HE3 TRP 577 -1.464 -19.128 14.211 224 HZ2 TRP 577 HZ2 TRP 577 -3.854 -19.443 18.578 225 HZ3 TRP 577 HZ3 TRP 577 -3.842 -18.550 14.402 226 HH2 TRP 577 HH2 TRP 577 -5.008 -18.706 16.535 227 H LYS 578 HN LYS 578 3.143 -22.621 14.899 228 HA LYS 578 HA LYS 578 4.877 -21.572 12.933 229 HB2 LYS 578 HB2 LYS 578 4.910 -24.361 14.188 230 HB3 LYS 578 HB1 LYS 578 6.264 -23.592 13.359 231 HG2 LYS 578 HG2 LYS 578 4.993 -22.641 15.952 232 HG3 LYS 578 HG1 LYS 578 6.515 -23.527 15.807 233 HD2 LYS 578 HD2 LYS 578 7.494 -21.635 14.542 234 HD3 LYS 578 HD1 LYS 578 5.971 -20.750 14.668 235 HE2 LYS 578 HE2 LYS 578 6.220 -20.683 17.132 236 HE3 LYS 578 HE1 LYS 578 7.733 -21.586 17.007 237 HZ1 LYS 578 HZ1 LYS 578 8.683 -19.759 15.756 238 HZ2 LYS 578 HZ2 LYS 578 8.110 -19.218 17.254 239 HZ3 LYS 578 HZ3 LYS 578 7.225 -18.898 15.848 240 H LYS 579 HN LYS 579 2.774 -24.417 12.911 241 HA LYS 579 HA LYS 579 3.427 -25.220 10.213 242 HB2 LYS 579 HB2 LYS 579 1.362 -26.216 12.208 243 HB3 LYS 579 HB1 LYS 579 1.662 -26.970 10.639 244 HG2 LYS 579 HG2 LYS 579 3.973 -27.466 11.294 245 HG3 LYS 579 HG1 LYS 579 3.726 -26.660 12.848 246 HD2 LYS 579 HD2 LYS 579 2.139 -28.349 13.543 247 HD3 LYS 579 HD1 LYS 579 2.142 -29.096 11.943 248 HE2 LYS 579 HE2 LYS 579 4.557 -29.648 12.260 249 HE3 LYS 579 HE1 LYS 579 4.483 -28.973 13.879 250 HZ1 LYS 579 HZ1 LYS 579 4.296 -31.371 13.871 251 HZ2 LYS 579 HZ2 LYS 579 2.911 -31.285 12.903 252 HZ3 LYS 579 HZ3 LYS 579 2.887 -30.658 14.473 253 H ILE 580 HN ILE 580 1.027 -23.204 11.713 254 HA ILE 580 HA ILE 580 -0.791 -22.994 9.522 255 HB ILE 580 HB ILE 580 -0.198 -21.179 11.893 256 HG12 ILE 580 HG12 ILE 580 -2.618 -22.896 11.190 257 HG13 ILE 580 HG11 ILE 580 -1.359 -23.351 12.318 258 HG21 ILE 580 HG21 ILE 580 -2.337 -20.666 9.796 259 HG22 ILE 580 HG22 ILE 580 -0.928 -19.656 10.127 260 HG23 ILE 580 HG23 ILE 580 -2.195 -19.819 11.340 261 HD11 ILE 580 HD11 ILE 580 -3.272 -21.056 12.655 262 HD12 ILE 580 HD12 ILE 580 -2.037 -21.566 13.810 263 HD13 ILE 580 HD13 ILE 580 -3.386 -22.637 13.428 264 H ALA 581 HN ALA 581 2.347 -21.532 10.189 265 HA ALA 581 HA ALA 581 2.381 -19.580 8.118 266 HB1 ALA 581 HB1 ALA 581 4.832 -19.682 8.269 267 HB2 ALA 581 HB2 ALA 581 4.734 -21.181 9.197 268 HB3 ALA 581 HB3 ALA 581 4.115 -19.676 9.880 269 H GLU 582 HN GLU 582 2.943 -23.075 8.077 270 HA GLU 582 HA GLU 582 3.879 -23.268 5.368 271 HB2 GLU 582 HB2 GLU 582 2.652 -25.409 7.158 272 HB3 GLU 582 HB1 GLU 582 3.520 -25.710 5.654 273 HG2 GLU 582 HG2 GLU 582 5.587 -24.836 6.680 274 HG3 GLU 582 HG1 GLU 582 4.714 -24.515 8.181 275 H ALA 583 HN ALA 583 0.742 -23.630 6.963 276 HA ALA 583 HA ALA 583 -0.699 -24.480 4.606 277 HB1 ALA 583 HB1 ALA 583 -2.678 -24.420 6.062 278 HB2 ALA 583 HB2 ALA 583 -1.747 -23.596 7.317 279 HB3 ALA 583 HB3 ALA 583 -1.339 -25.251 6.859 280 H VAL 584 HN VAL 584 -0.080 -21.435 6.212 281 HA VAL 584 HA VAL 584 -1.633 -19.934 4.192 282 HB VAL 584 HB VAL 584 -1.387 -18.941 7.073 283 HG11 VAL 584 HG11 VAL 584 -3.305 -18.192 4.835 284 HG12 VAL 584 HG12 VAL 584 -1.913 -17.249 5.375 285 HG13 VAL 584 HG13 VAL 584 -3.288 -17.484 6.455 286 HG21 VAL 584 HG21 VAL 584 -3.734 -20.533 5.982 287 HG22 VAL 584 HG22 VAL 584 -3.688 -19.705 7.541 288 HG23 VAL 584 HG23 VAL 584 -2.605 -21.062 7.232 289 HA PRO 585 HA PRO 585 2.807 -18.604 4.245 290 HB2 PRO 585 HB2 PRO 585 3.113 -18.147 1.593 291 HB3 PRO 585 HB1 PRO 585 3.050 -19.792 2.245 292 HG2 PRO 585 HG2 PRO 585 0.863 -18.185 0.928 293 HG3 PRO 585 HG1 PRO 585 1.321 -19.881 0.657 294 HD2 PRO 585 HD2 PRO 585 -0.770 -19.125 2.284 295 HD3 PRO 585 HD1 PRO 585 0.153 -20.625 2.516 296 H GLY 586 HN GLY 586 3.782 -16.600 4.220 297 HA2 GLY 586 HA2 GLY 586 4.111 -14.337 3.840 298 HA3 GLY 586 HA1 GLY 586 2.543 -14.232 3.057 299 H ARG 587 HN ARG 587 0.982 -15.328 5.212 300 HA ARG 587 HA ARG 587 0.576 -13.000 6.813 301 HB2 ARG 587 HB2 ARG 587 -0.612 -15.805 6.933 302 HB3 ARG 587 HB1 ARG 587 -1.120 -14.511 8.016 303 HG2 ARG 587 HG2 ARG 587 -1.325 -14.391 4.980 304 HG3 ARG 587 HG1 ARG 587 -2.641 -14.863 6.064 305 HD2 ARG 587 HD2 ARG 587 -2.680 -12.664 7.079 306 HD3 ARG 587 HD1 ARG 587 -1.225 -12.175 6.202 307 HE ARG 587 HE ARG 587 -3.176 -12.911 4.330 308 HH11 ARG 587 HH11 ARG 587 -2.761 -10.364 6.727 309 HH12 ARG 587 HH12 ARG 587 -3.556 -9.174 5.752 310 HH21 ARG 587 HH21 ARG 587 -4.183 -11.338 3.080 311 HH22 ARG 587 HH22 ARG 587 -4.374 -9.726 3.699 312 H THR 588 HN THR 588 1.337 -12.503 8.796 313 HA THR 588 HA THR 588 3.391 -14.136 10.008 314 HB THR 588 HB THR 588 3.497 -12.191 11.665 315 HG1 THR 588 HG1 THR 588 2.069 -10.611 11.522 316 HG21 THR 588 HG21 THR 588 3.702 -11.400 8.729 317 HG22 THR 588 HG22 THR 588 4.972 -12.192 9.667 318 HG23 THR 588 HG23 THR 588 4.455 -10.560 10.090 319 H LYS 589 HN LYS 589 3.387 -14.798 12.223 320 HA LYS 589 HA LYS 589 1.038 -16.273 12.843 321 HB2 LYS 589 HB2 LYS 589 3.754 -15.972 14.080 322 HB3 LYS 589 HB1 LYS 589 2.498 -16.736 15.031 323 HG2 LYS 589 HG2 LYS 589 3.919 -18.374 13.897 324 HG3 LYS 589 HG1 LYS 589 2.235 -18.516 13.412 325 HD2 LYS 589 HD2 LYS 589 4.225 -16.988 11.702 326 HD3 LYS 589 HD1 LYS 589 4.122 -18.744 11.612 327 HE2 LYS 589 HE2 LYS 589 1.906 -16.763 10.961 328 HE3 LYS 589 HE1 LYS 589 2.796 -17.761 9.819 329 HZ1 LYS 589 HZ1 LYS 589 0.643 -18.695 10.249 330 HZ2 LYS 589 HZ2 LYS 589 0.929 -18.715 11.916 331 HZ3 LYS 589 HZ3 LYS 589 1.825 -19.719 10.898 332 H LYS 590 HN LYS 590 2.388 -13.278 14.165 333 HA LYS 590 HA LYS 590 0.693 -12.973 16.385 334 HB2 LYS 590 HB2 LYS 590 1.139 -10.500 16.136 335 HB3 LYS 590 HB1 LYS 590 2.584 -11.502 16.176 336 HG2 LYS 590 HG2 LYS 590 2.901 -11.273 13.791 337 HG3 LYS 590 HG1 LYS 590 1.348 -10.451 13.609 338 HD2 LYS 590 HD2 LYS 590 3.707 -9.358 15.210 339 HD3 LYS 590 HD1 LYS 590 3.341 -8.908 13.542 340 HE2 LYS 590 HE2 LYS 590 1.486 -8.459 15.913 341 HE3 LYS 590 HE1 LYS 590 2.532 -7.233 15.193 342 HZ1 LYS 590 HZ1 LYS 590 1.328 -7.497 13.105 343 HZ2 LYS 590 HZ2 LYS 590 0.286 -7.053 14.357 344 HZ3 LYS 590 HZ3 LYS 590 0.311 -8.652 13.810 345 H ASP 591 HN ASP 591 0.177 -12.213 12.954 346 HA ASP 591 HA ASP 591 -2.401 -10.968 13.312 347 HB2 ASP 591 HB2 ASP 591 -0.844 -11.879 10.866 348 HB3 ASP 591 HB1 ASP 591 -2.498 -11.275 10.728 349 H CYS 592 HN CYS 592 -1.247 -14.213 12.721 350 HA CYS 592 HA CYS 592 -3.759 -15.415 12.041 351 HB2 CYS 592 HB2 CYS 592 -1.248 -16.682 13.219 352 HB3 CYS 592 HB1 CYS 592 -2.596 -17.570 12.508 353 HG CYS 592 HG CYS 592 -1.311 -15.288 10.446 354 H MET 593 HN MET 593 -1.969 -14.879 15.056 355 HA MET 593 HA MET 593 -3.702 -16.296 16.850 356 HB2 MET 593 HB2 MET 593 -1.680 -14.066 17.383 357 HB3 MET 593 HB1 MET 593 -2.504 -14.966 18.649 358 HG2 MET 593 HG2 MET 593 -1.388 -17.011 17.974 359 HG3 MET 593 HG1 MET 593 -0.654 -16.192 16.593 360 HE1 MET 593 HE1 MET 593 1.893 -16.569 17.073 361 HE2 MET 593 HE2 MET 593 1.286 -17.757 18.233 362 HE3 MET 593 HE3 MET 593 2.548 -16.621 18.711 363 H LYS 594 HN LYS 594 -3.345 -12.946 15.842 364 HA LYS 594 HA LYS 594 -5.302 -11.673 17.385 365 HB2 LYS 594 HB2 LYS 594 -3.520 -10.550 15.991 366 HB3 LYS 594 HB1 LYS 594 -4.418 -10.977 14.542 367 HG2 LYS 594 HG2 LYS 594 -5.662 -9.261 16.706 368 HG3 LYS 594 HG1 LYS 594 -4.590 -8.554 15.499 369 HD2 LYS 594 HD2 LYS 594 -6.118 -9.265 13.701 370 HD3 LYS 594 HD1 LYS 594 -7.172 -10.056 14.874 371 HE2 LYS 594 HE2 LYS 594 -8.087 -7.877 14.223 372 HE3 LYS 594 HE1 LYS 594 -7.647 -7.883 15.932 373 HZ1 LYS 594 HZ1 LYS 594 -5.602 -6.729 15.362 374 HZ2 LYS 594 HZ2 LYS 594 -6.957 -5.850 14.857 375 HZ3 LYS 594 HZ3 LYS 594 -6.041 -6.717 13.728 376 H ARG 595 HN ARG 595 -5.505 -13.163 14.157 377 HA ARG 595 HA ARG 595 -8.192 -12.392 13.654 378 HB2 ARG 595 HB2 ARG 595 -6.413 -13.087 11.913 379 HB3 ARG 595 HB1 ARG 595 -6.793 -14.752 12.329 380 HG2 ARG 595 HG2 ARG 595 -7.989 -14.020 10.300 381 HG3 ARG 595 HG1 ARG 595 -9.119 -14.447 11.593 382 HD2 ARG 595 HD2 ARG 595 -9.403 -12.050 12.136 383 HD3 ARG 595 HD1 ARG 595 -8.257 -11.620 10.863 384 HE ARG 595 HE ARG 595 -9.925 -12.754 9.315 385 HH11 ARG 595 HH11 ARG 595 -10.955 -11.091 12.232 386 HH12 ARG 595 HH12 ARG 595 -12.498 -10.652 11.587 387 HH21 ARG 595 HH21 ARG 595 -11.964 -12.210 8.485 388 HH22 ARG 595 HH22 ARG 595 -13.074 -11.284 9.447 389 H TYR 596 HN TYR 596 -6.748 -15.470 14.779 390 HA TYR 596 HA TYR 596 -9.169 -16.915 15.115 391 HB2 TYR 596 HB2 TYR 596 -7.054 -18.105 15.003 392 HB3 TYR 596 HB1 TYR 596 -6.446 -17.272 16.425 393 HD1 TYR 596 HD2 TYR 596 -9.474 -19.364 15.545 394 HD2 TYR 596 HD1 TYR 596 -6.343 -18.619 18.350 395 HE1 TYR 596 HE2 TYR 596 -10.292 -21.203 16.952 396 HE2 TYR 596 HE1 TYR 596 -7.159 -20.458 19.760 397 HH TYR 596 HH TYR 596 -9.361 -21.674 20.137 398 H LYS 597 HN LYS 597 -7.451 -14.638 17.198 399 HA LYS 597 HA LYS 597 -8.919 -15.046 19.592 400 HB2 LYS 597 HB2 LYS 597 -6.789 -13.744 19.471 401 HB3 LYS 597 HB1 LYS 597 -7.610 -12.464 18.594 402 HG2 LYS 597 HG2 LYS 597 -8.516 -13.264 21.377 403 HG3 LYS 597 HG1 LYS 597 -7.128 -12.199 21.158 404 HD2 LYS 597 HD2 LYS 597 -8.562 -10.579 19.947 405 HD3 LYS 597 HD1 LYS 597 -9.954 -11.642 20.151 406 HE2 LYS 597 HE2 LYS 597 -9.775 -11.380 22.615 407 HE3 LYS 597 HE1 LYS 597 -8.397 -10.296 22.391 408 HZ1 LYS 597 HZ1 LYS 597 -9.826 -8.749 21.238 409 HZ2 LYS 597 HZ2 LYS 597 -10.484 -9.104 22.750 410 HZ3 LYS 597 HZ3 LYS 597 -11.139 -9.807 21.358 411 H GLU 598 HN GLU 598 -9.432 -12.844 16.813 412 HA GLU 598 HA GLU 598 -11.808 -11.613 17.633 413 HB2 GLU 598 HB2 GLU 598 -11.060 -12.357 14.768 414 HB3 GLU 598 HB1 GLU 598 -12.250 -11.148 15.247 415 HG2 GLU 598 HG2 GLU 598 -9.240 -11.021 15.593 416 HG3 GLU 598 HG1 GLU 598 -10.245 -10.037 14.534 417 H LEU 599 HN LEU 599 -11.297 -14.613 15.785 418 HA LEU 599 HA LEU 599 -13.966 -15.224 15.186 419 HB2 LEU 599 HB2 LEU 599 -11.721 -17.230 15.609 420 HB3 LEU 599 HB1 LEU 599 -13.207 -17.502 14.705 421 HG LEU 599 HG LEU 599 -10.949 -15.625 13.937 422 HD11 LEU 599 HD11 LEU 599 -10.559 -17.113 12.058 423 HD12 LEU 599 HD12 LEU 599 -11.843 -18.188 12.617 424 HD13 LEU 599 HD13 LEU 599 -10.387 -17.966 13.592 425 HD21 LEU 599 HD21 LEU 599 -13.543 -16.119 12.449 426 HD22 LEU 599 HD22 LEU 599 -12.163 -15.198 11.843 427 HD23 LEU 599 HD23 LEU 599 -13.055 -14.621 13.247 428 H VAL 600 HN VAL 600 -11.915 -16.472 17.849 429 HA VAL 600 HA VAL 600 -13.921 -18.139 18.943 430 HB VAL 600 HB VAL 600 -11.494 -18.535 19.357 431 HG11 VAL 600 HG11 VAL 600 -10.268 -17.316 21.118 432 HG12 VAL 600 HG12 VAL 600 -11.618 -16.194 21.292 433 HG13 VAL 600 HG13 VAL 600 -10.705 -16.245 19.784 434 HG21 VAL 600 HG21 VAL 600 -11.715 -19.281 21.710 435 HG22 VAL 600 HG22 VAL 600 -13.160 -19.653 20.771 436 HG23 VAL 600 HG23 VAL 600 -13.166 -18.286 21.886 437 H GLU 601 HN GLU 601 -12.897 -14.804 19.722 438 HA GLU 601 HA GLU 601 -14.487 -14.334 21.989 439 HB2 GLU 601 HB2 GLU 601 -13.512 -12.436 19.818 440 HB3 GLU 601 HB1 GLU 601 -14.462 -11.866 21.187 441 HG2 GLU 601 HG2 GLU 601 -11.788 -13.268 21.381 442 HG3 GLU 601 HG1 GLU 601 -12.032 -11.525 21.459 443 H MET 602 HN MET 602 -15.263 -13.836 18.539 444 HA MET 602 HA MET 602 -17.766 -12.560 18.978 445 HB2 MET 602 HB2 MET 602 -16.652 -13.898 16.477 446 HB3 MET 602 HB1 MET 602 -18.161 -12.994 16.510 447 HG2 MET 602 HG2 MET 602 -16.928 -10.955 17.129 448 HG3 MET 602 HG1 MET 602 -15.417 -11.859 17.103 449 HE1 MET 602 HE1 MET 602 -16.034 -13.761 14.436 450 HE2 MET 602 HE2 MET 602 -14.470 -13.037 14.816 451 HE3 MET 602 HE3 MET 602 -15.196 -12.783 13.230 452 H VAL 603 HN VAL 603 -16.881 -15.918 18.104 453 HA VAL 603 HA VAL 603 -19.548 -16.801 17.716 454 HB VAL 603 HB VAL 603 -18.686 -19.091 17.637 455 HG11 VAL 603 HG11 VAL 603 -17.074 -18.847 15.769 456 HG12 VAL 603 HG12 VAL 603 -16.837 -17.150 16.192 457 HG13 VAL 603 HG13 VAL 603 -18.414 -17.707 15.625 458 HG21 VAL 603 HG21 VAL 603 -17.075 -19.075 19.493 459 HG22 VAL 603 HG22 VAL 603 -16.012 -17.993 18.595 460 HG23 VAL 603 HG23 VAL 603 -16.289 -19.635 18.011 461 H LYS 604 HN LYS 604 -17.388 -16.944 20.581 462 HA LYS 604 HA LYS 604 -19.331 -18.475 22.105 463 HB2 LYS 604 HB2 LYS 604 -17.748 -18.577 23.890 464 HB3 LYS 604 HB1 LYS 604 -16.869 -18.816 22.384 465 HG2 LYS 604 HG2 LYS 604 -16.090 -16.449 22.511 466 HG3 LYS 604 HG1 LYS 604 -16.889 -16.291 24.078 467 HD2 LYS 604 HD2 LYS 604 -15.418 -17.907 25.092 468 HD3 LYS 604 HD1 LYS 604 -14.797 -18.439 23.530 469 HE2 LYS 604 HE2 LYS 604 -13.164 -17.054 24.753 470 HE3 LYS 604 HE1 LYS 604 -13.640 -16.307 23.229 471 HZ1 LYS 604 HZ1 LYS 604 -14.714 -15.580 25.899 472 HZ2 LYS 604 HZ2 LYS 604 -15.102 -14.843 24.431 473 HZ3 LYS 604 HZ3 LYS 604 -13.535 -14.717 25.045 474 H ALA 605 HN ALA 605 -18.535 -15.081 21.720 475 HA ALA 605 HA ALA 605 -19.899 -14.099 24.048 476 HB1 ALA 605 HB1 ALA 605 -19.814 -11.892 22.954 477 HB2 ALA 605 HB2 ALA 605 -19.325 -12.649 21.434 478 HB3 ALA 605 HB3 ALA 605 -18.254 -12.710 22.834 479 H LYS 606 HN LYS 606 -20.828 -14.481 20.622 480 HA LYS 606 HA LYS 606 -23.509 -13.636 20.788 481 HB2 LYS 606 HB2 LYS 606 -22.212 -15.674 18.930 482 HB3 LYS 606 HB1 LYS 606 -23.878 -15.128 18.745 483 HG2 LYS 606 HG2 LYS 606 -23.064 -12.819 18.384 484 HG3 LYS 606 HG1 LYS 606 -21.404 -13.389 18.555 485 HD2 LYS 606 HD2 LYS 606 -21.746 -13.248 16.213 486 HD3 LYS 606 HD1 LYS 606 -21.887 -14.965 16.577 487 HE2 LYS 606 HE2 LYS 606 -24.251 -13.084 16.221 488 HE3 LYS 606 HE1 LYS 606 -23.601 -14.108 14.948 489 HZ1 LYS 606 HZ1 LYS 606 -25.493 -15.149 15.888 490 HZ2 LYS 606 HZ2 LYS 606 -24.910 -14.975 17.460 491 HZ3 LYS 606 HZ3 LYS 606 -24.143 -16.037 16.391 492 H LYS 607 HN LYS 607 -22.049 -16.859 21.070 493 HA LYS 607 HA LYS 607 -24.369 -18.381 21.502 494 HB2 LYS 607 HB2 LYS 607 -22.214 -19.361 20.820 495 HB3 LYS 607 HB1 LYS 607 -21.499 -18.912 22.366 496 HG2 LYS 607 HG2 LYS 607 -23.079 -20.469 23.516 497 HG3 LYS 607 HG1 LYS 607 -23.719 -20.940 21.934 498 HD2 LYS 607 HD2 LYS 607 -21.500 -21.797 21.277 499 HD3 LYS 607 HD1 LYS 607 -20.827 -21.280 22.827 500 HE2 LYS 607 HE2 LYS 607 -22.320 -22.870 23.996 501 HE3 LYS 607 HE1 LYS 607 -22.987 -23.390 22.446 502 HZ1 LYS 607 HZ1 LYS 607 -20.163 -23.676 23.325 503 HZ2 LYS 607 HZ2 LYS 607 -20.765 -24.138 21.815 504 HZ3 LYS 607 HZ3 LYS 607 -21.309 -24.920 23.215 505 H ALA 608 HN ALA 608 -22.226 -16.687 23.766 506 HA ALA 608 HA ALA 608 -23.199 -17.807 26.187 507 HB1 ALA 608 HB1 ALA 608 -21.877 -15.104 25.756 508 HB2 ALA 608 HB2 ALA 608 -21.040 -16.624 26.056 509 HB3 ALA 608 HB3 ALA 608 -22.065 -15.936 27.313 510 H ALA 609 HN ALA 609 -23.906 -14.714 24.581 511 HA ALA 609 HA ALA 609 -25.920 -13.822 26.351 512 HB1 ALA 609 HB1 ALA 609 -26.489 -12.212 24.579 513 HB2 ALA 609 HB2 ALA 609 -25.508 -13.120 23.423 514 HB3 ALA 609 HB3 ALA 609 -24.743 -12.317 24.798 515 H GLN 610 HN GLN 610 -26.079 -15.548 23.273 516 HA GLN 610 HA GLN 610 -28.801 -15.661 22.757 517 HB2 GLN 610 HB2 GLN 610 -27.028 -16.262 21.150 518 HB3 GLN 610 HB1 GLN 610 -26.621 -17.685 22.095 519 HG2 GLN 610 HG2 GLN 610 -28.846 -18.644 21.560 520 HG3 GLN 610 HG1 GLN 610 -29.215 -17.217 20.592 521 HE21 GLN 610 HE21 GLN 610 -29.107 -19.985 19.734 522 HE22 GLN 610 HE22 GLN 610 -27.929 -20.067 18.478 523 H GLU 611 HN GLU 611 -26.785 -18.054 24.410 524 HA GLU 611 HA GLU 611 -28.816 -19.950 24.926 525 HB2 GLU 611 HB2 GLU 611 -26.340 -20.393 24.722 526 HB3 GLU 611 HB1 GLU 611 -26.097 -19.621 26.277 527 HG2 GLU 611 HG2 GLU 611 -27.866 -22.053 25.948 528 HG3 GLU 611 HG1 GLU 611 -26.123 -22.204 26.132 529 H GLN 612 HN GLN 612 -27.336 -17.334 26.850 530 HA GLN 612 HA GLN 612 -28.837 -17.948 29.237 531 HB2 GLN 612 HB2 GLN 612 -27.088 -15.558 28.545 532 HB3 GLN 612 HB1 GLN 612 -27.875 -15.776 30.110 533 HG2 GLN 612 HG2 GLN 612 -25.838 -17.660 28.874 534 HG3 GLN 612 HG1 GLN 612 -25.511 -16.494 30.156 535 HE21 GLN 612 HE21 GLN 612 -25.226 -19.444 30.116 536 HE22 GLN 612 HE22 GLN 612 -26.169 -20.026 31.440 537 H VAL 613 HN VAL 613 -29.540 -16.031 26.404 538 HA VAL 613 HA VAL 613 -31.744 -14.540 27.502 539 HB VAL 613 HB VAL 613 -31.147 -15.404 24.622 540 HG11 VAL 613 HG11 VAL 613 -33.606 -15.245 24.865 541 HG12 VAL 613 HG12 VAL 613 -32.991 -13.938 23.857 542 HG13 VAL 613 HG13 VAL 613 -33.448 -13.617 25.532 543 HG21 VAL 613 HG21 VAL 613 -31.058 -12.649 25.916 544 HG22 VAL 613 HG22 VAL 613 -30.703 -13.006 24.223 545 HG23 VAL 613 HG23 VAL 613 -29.661 -13.637 25.494 546 H LEU 614 HN LEU 614 -31.463 -17.555 25.648 547 HA LEU 614 HA LEU 614 -34.145 -18.407 25.720 548 HB2 LEU 614 HB2 LEU 614 -31.576 -20.033 25.525 549 HB3 LEU 614 HB1 LEU 614 -33.185 -20.669 25.178 550 HG LEU 614 HG LEU 614 -31.769 -18.468 23.613 551 HD11 LEU 614 HD11 LEU 614 -30.726 -20.648 23.243 552 HD12 LEU 614 HD12 LEU 614 -31.588 -20.114 21.801 553 HD13 LEU 614 HD13 LEU 614 -32.295 -21.356 22.841 554 HD21 LEU 614 HD21 LEU 614 -34.182 -18.118 23.576 555 HD22 LEU 614 HD22 LEU 614 -34.448 -19.793 23.085 556 HD23 LEU 614 HD23 LEU 614 -33.625 -18.672 21.998 557 H ASN 615 HN ASN 615 -31.477 -18.869 27.966 558 HA ASN 615 HA ASN 615 -32.673 -20.833 29.635 559 HB2 ASN 615 HB2 ASN 615 -30.208 -20.461 29.541 560 HB3 ASN 615 HB1 ASN 615 -30.423 -18.871 30.267 561 HD21 ASN 615 HD21 ASN 615 -29.099 -19.405 32.029 562 HD22 ASN 615 HD22 ASN 615 -29.608 -20.487 33.277 563 H ALA 616 HN ALA 616 -32.198 -17.312 29.992 564 HA ALA 616 HA ALA 616 -33.520 -16.980 32.465 565 HB1 ALA 616 HB1 ALA 616 -33.473 -14.573 31.932 566 HB2 ALA 616 HB2 ALA 616 -33.058 -14.943 30.256 567 HB3 ALA 616 HB3 ALA 616 -31.930 -15.342 31.553 568 H SER 617 HN SER 617 -34.714 -16.982 29.167 569 HA SER 617 HA SER 617 -37.256 -15.766 29.677 570 HB2 SER 617 HB2 SER 617 -36.068 -15.704 27.464 571 HB3 SER 617 HB1 SER 617 -36.388 -17.426 27.273 572 HG SER 617 HG SER 617 -37.996 -15.319 26.774 573 H ARG 618 HN ARG 618 -36.105 -19.105 29.235 574 HA ARG 618 HA ARG 618 -38.713 -20.295 29.688 575 HB2 ARG 618 HB2 ARG 618 -35.946 -21.541 29.434 576 HB3 ARG 618 HB1 ARG 618 -37.440 -22.465 29.601 577 HG2 ARG 618 HG2 ARG 618 -38.263 -21.558 27.463 578 HG3 ARG 618 HG1 ARG 618 -36.800 -20.575 27.307 579 HD2 ARG 618 HD2 ARG 618 -36.905 -23.617 27.353 580 HD3 ARG 618 HD1 ARG 618 -36.684 -22.606 25.923 581 HE ARG 618 HE ARG 618 -34.552 -21.874 26.850 582 HH11 ARG 618 HH11 ARG 618 -35.903 -24.763 28.332 583 HH12 ARG 618 HH12 ARG 618 -34.353 -25.387 28.800 584 HH21 ARG 618 HH21 ARG 618 -32.547 -22.688 27.500 585 HH22 ARG 618 HH22 ARG 618 -32.453 -24.202 28.335 586 H ALA 619 HN ALA 619 -36.176 -19.163 31.676 587 HA ALA 619 HA ALA 619 -36.638 -20.876 33.955 588 HB1 ALA 619 HB1 ALA 619 -35.155 -19.338 35.165 589 HB2 ALA 619 HB2 ALA 619 -35.193 -18.204 33.812 590 HB3 ALA 619 HB3 ALA 619 -34.456 -19.794 33.613 591 H LYS 620 HN LYS 620 -37.537 -20.179 35.972 592 HA LYS 620 HA LYS 620 -40.085 -18.892 35.586 593 HB2 LYS 620 HB2 LYS 620 -40.633 -19.709 37.800 594 HB3 LYS 620 HB1 LYS 620 -39.801 -20.986 36.923 595 HG2 LYS 620 HG2 LYS 620 -37.694 -20.374 38.167 596 HG3 LYS 620 HG1 LYS 620 -38.648 -19.227 39.115 597 HD2 LYS 620 HD2 LYS 620 -40.124 -21.199 39.795 598 HD3 LYS 620 HD1 LYS 620 -38.934 -22.257 39.031 599 HE2 LYS 620 HE2 LYS 620 -38.528 -22.163 41.431 600 HE3 LYS 620 HE1 LYS 620 -37.199 -21.367 40.588 601 HZ1 LYS 620 HZ1 LYS 620 -37.977 -20.144 42.551 602 HZ2 LYS 620 HZ2 LYS 620 -39.495 -19.947 41.833 603 HZ3 LYS 620 HZ3 LYS 620 -38.131 -19.235 41.134 604 H LYS 621 HN LYS 621 -40.932 -17.392 37.274 605 HA LYS 621 HA LYS 621 -39.011 -15.216 37.875 606 HB2 LYS 621 HB2 LYS 621 -42.038 -15.057 37.468 607 HB3 LYS 621 HB1 LYS 621 -40.952 -13.694 37.742 608 HG2 LYS 621 HG2 LYS 621 -39.864 -14.089 35.578 609 HG3 LYS 621 HG1 LYS 621 -40.860 -15.529 35.320 610 HD2 LYS 621 HD2 LYS 621 -42.894 -14.111 35.322 611 HD3 LYS 621 HD1 LYS 621 -41.893 -12.674 35.552 612 HE2 LYS 621 HE2 LYS 621 -40.832 -13.045 33.371 613 HE3 LYS 621 HE1 LYS 621 -41.761 -14.531 33.147 614 HZ1 LYS 621 HZ1 LYS 621 -42.708 -12.620 31.975 615 HZ2 LYS 621 HZ2 LYS 621 -42.944 -11.825 33.449 616 HZ3 LYS 621 HZ3 LYS 621 -43.780 -13.257 33.116 Start of MODEL 15 1 H PHE 551 HN PHE 551 -2.658 -2.017 6.440 2 HA PHE 551 HA PHE 551 -1.396 -3.195 4.061 3 HB2 PHE 551 HB2 PHE 551 -1.080 -5.350 5.224 4 HB3 PHE 551 HB1 PHE 551 -0.163 -4.088 6.031 5 HD1 PHE 551 HD2 PHE 551 -1.177 -3.049 8.196 6 HD2 PHE 551 HD1 PHE 551 -2.605 -6.700 6.485 7 HE1 PHE 551 HE2 PHE 551 -2.195 -3.669 10.351 8 HE2 PHE 551 HE1 PHE 551 -3.619 -7.312 8.641 9 HZ PHE 551 HZ PHE 551 -3.412 -5.801 10.575 10 H THR 552 HN THR 552 -2.747 -4.767 3.037 11 HA THR 552 HA THR 552 -5.558 -4.404 3.188 12 HB THR 552 HB THR 552 -5.586 -6.459 1.644 13 HG1 THR 552 HG1 THR 552 -3.409 -7.089 2.685 14 HG21 THR 552 HG21 THR 552 -3.666 -4.250 0.811 15 HG22 THR 552 HG22 THR 552 -5.424 -4.165 0.691 16 HG23 THR 552 HG23 THR 552 -4.535 -5.344 -0.272 17 HA PRO 553 HA PRO 553 -6.529 -7.218 6.578 18 HB2 PRO 553 HB2 PRO 553 -9.171 -7.738 6.086 19 HB3 PRO 553 HB1 PRO 553 -8.612 -6.157 6.648 20 HG2 PRO 553 HG2 PRO 553 -9.219 -7.054 3.825 21 HG3 PRO 553 HG1 PRO 553 -9.750 -5.575 4.657 22 HD2 PRO 553 HD2 PRO 553 -7.643 -5.559 2.958 23 HD3 PRO 553 HD1 PRO 553 -7.664 -4.535 4.413 24 H TRP 554 HN TRP 554 -7.768 -9.405 6.903 25 HA TRP 554 HA TRP 554 -6.343 -11.419 5.540 26 HB2 TRP 554 HB2 TRP 554 -8.542 -11.381 7.598 27 HB3 TRP 554 HB1 TRP 554 -8.189 -12.904 6.797 28 HD1 TRP 554 HD1 TRP 554 -6.393 -10.275 9.025 29 HE1 TRP 554 HE1 TRP 554 -4.496 -11.491 10.274 30 HE3 TRP 554 HE3 TRP 554 -6.754 -14.856 6.787 31 HZ2 TRP 554 HZ2 TRP 554 -3.304 -14.044 10.272 32 HZ3 TRP 554 HZ3 TRP 554 -5.202 -16.632 7.475 33 HH2 TRP 554 HH2 TRP 554 -3.510 -16.231 9.188 34 H THR 555 HN THR 555 -6.664 -12.272 3.662 35 HA THR 555 HA THR 555 -8.972 -11.811 2.023 36 HB THR 555 HB THR 555 -7.707 -13.240 0.373 37 HG1 THR 555 HG1 THR 555 -5.553 -13.843 1.064 38 HG21 THR 555 HG21 THR 555 -5.825 -11.694 0.025 39 HG22 THR 555 HG22 THR 555 -6.027 -11.044 1.651 40 HG23 THR 555 HG23 THR 555 -7.287 -10.793 0.439 41 H THR 556 HN THR 556 -10.204 -13.530 1.010 42 HA THR 556 HA THR 556 -11.365 -15.316 2.837 43 HB THR 556 HB THR 556 -11.612 -15.395 -0.208 44 HG1 THR 556 HG1 THR 556 -12.676 -13.676 1.753 45 HG21 THR 556 HG21 THR 556 -12.664 -17.347 0.945 46 HG22 THR 556 HG22 THR 556 -13.865 -16.290 0.194 47 HG23 THR 556 HG23 THR 556 -13.606 -16.241 1.940 48 H GLU 557 HN GLU 557 -8.861 -15.763 0.393 49 HA GLU 557 HA GLU 557 -8.700 -18.608 0.477 50 HB2 GLU 557 HB2 GLU 557 -6.311 -18.220 -0.483 51 HB3 GLU 557 HB1 GLU 557 -7.686 -17.745 -1.455 52 HG2 GLU 557 HG2 GLU 557 -6.486 -15.612 0.259 53 HG3 GLU 557 HG1 GLU 557 -5.509 -16.178 -1.091 54 H GLU 558 HN GLU 558 -6.678 -16.068 2.049 55 HA GLU 558 HA GLU 558 -5.198 -17.871 3.655 56 HB2 GLU 558 HB2 GLU 558 -5.620 -14.891 3.677 57 HB3 GLU 558 HB1 GLU 558 -4.947 -15.618 5.131 58 HG2 GLU 558 HG2 GLU 558 -3.194 -14.757 3.631 59 HG3 GLU 558 HG1 GLU 558 -3.059 -16.493 3.885 60 H GLN 559 HN GLN 559 -8.386 -16.526 4.063 61 HA GLN 559 HA GLN 559 -8.695 -17.117 6.861 62 HB2 GLN 559 HB2 GLN 559 -10.570 -16.183 4.669 63 HB3 GLN 559 HB1 GLN 559 -11.257 -16.792 6.170 64 HG2 GLN 559 HG2 GLN 559 -9.222 -14.549 6.059 65 HG3 GLN 559 HG1 GLN 559 -10.968 -14.300 6.077 66 HE21 GLN 559 HE21 GLN 559 -8.249 -15.526 7.936 67 HE22 GLN 559 HE22 GLN 559 -9.010 -15.440 9.480 68 H LYS 560 HN LYS 560 -9.479 -18.844 3.834 69 HA LYS 560 HA LYS 560 -10.882 -20.975 5.204 70 HB2 LYS 560 HB2 LYS 560 -11.071 -22.091 3.086 71 HB3 LYS 560 HB1 LYS 560 -11.312 -20.378 2.772 72 HG2 LYS 560 HG2 LYS 560 -8.961 -20.229 1.961 73 HG3 LYS 560 HG1 LYS 560 -8.780 -21.961 2.218 74 HD2 LYS 560 HD2 LYS 560 -9.202 -21.500 -0.142 75 HD3 LYS 560 HD1 LYS 560 -10.575 -22.373 0.543 76 HE2 LYS 560 HE2 LYS 560 -11.882 -20.322 0.658 77 HE3 LYS 560 HE1 LYS 560 -10.489 -19.353 0.169 78 HZ1 LYS 560 HZ1 LYS 560 -10.504 -20.519 -1.954 79 HZ2 LYS 560 HZ2 LYS 560 -11.952 -19.704 -1.669 80 HZ3 LYS 560 HZ3 LYS 560 -11.880 -21.381 -1.486 81 H LEU 561 HN LEU 561 -7.576 -20.297 4.264 82 HA LEU 561 HA LEU 561 -6.503 -22.930 4.723 83 HB2 LEU 561 HB2 LEU 561 -5.177 -20.198 4.527 84 HB3 LEU 561 HB1 LEU 561 -4.282 -21.709 4.644 85 HG LEU 561 HG LEU 561 -6.193 -21.039 2.369 86 HD11 LEU 561 HD11 LEU 561 -4.227 -20.629 0.984 87 HD12 LEU 561 HD12 LEU 561 -3.172 -20.839 2.383 88 HD13 LEU 561 HD13 LEU 561 -4.317 -19.494 2.328 89 HD21 LEU 561 HD21 LEU 561 -4.187 -23.304 2.639 90 HD22 LEU 561 HD22 LEU 561 -5.181 -22.961 1.218 91 HD23 LEU 561 HD23 LEU 561 -5.945 -23.449 2.728 92 H LEU 562 HN LEU 562 -6.893 -19.950 6.595 93 HA LEU 562 HA LEU 562 -5.581 -20.813 8.972 94 HB2 LEU 562 HB2 LEU 562 -6.098 -18.415 8.469 95 HB3 LEU 562 HB1 LEU 562 -7.809 -18.747 8.680 96 HG LEU 562 HG LEU 562 -7.348 -19.338 11.096 97 HD11 LEU 562 HD11 LEU 562 -4.534 -18.346 10.528 98 HD12 LEU 562 HD12 LEU 562 -5.004 -20.005 10.912 99 HD13 LEU 562 HD13 LEU 562 -5.199 -18.737 12.117 100 HD21 LEU 562 HD21 LEU 562 -6.495 -16.532 10.293 101 HD22 LEU 562 HD22 LEU 562 -7.070 -17.031 11.888 102 HD23 LEU 562 HD23 LEU 562 -8.155 -17.099 10.503 103 H GLU 563 HN GLU 563 -9.012 -20.717 8.018 104 HA GLU 563 HA GLU 563 -10.246 -21.881 10.235 105 HB2 GLU 563 HB2 GLU 563 -10.994 -21.363 7.392 106 HB3 GLU 563 HB1 GLU 563 -11.862 -22.721 8.086 107 HG2 GLU 563 HG2 GLU 563 -11.768 -19.985 9.400 108 HG3 GLU 563 HG1 GLU 563 -13.011 -20.464 8.247 109 H GLN 564 HN GLN 564 -8.829 -23.426 7.391 110 HA GLN 564 HA GLN 564 -9.427 -26.122 8.032 111 HB2 GLN 564 HB2 GLN 564 -8.650 -25.467 5.796 112 HB3 GLN 564 HB1 GLN 564 -7.107 -24.925 6.455 113 HG2 GLN 564 HG2 GLN 564 -6.649 -27.317 7.144 114 HG3 GLN 564 HG1 GLN 564 -8.122 -27.785 6.294 115 HE21 GLN 564 HE21 GLN 564 -4.859 -26.569 5.913 116 HE22 GLN 564 HE22 GLN 564 -4.723 -26.938 4.234 117 H ALA 565 HN ALA 565 -6.554 -24.120 8.591 118 HA ALA 565 HA ALA 565 -4.934 -26.102 9.792 119 HB1 ALA 565 HB1 ALA 565 -3.387 -24.286 10.231 120 HB2 ALA 565 HB2 ALA 565 -4.662 -23.086 9.998 121 HB3 ALA 565 HB3 ALA 565 -4.104 -24.062 8.637 122 H LEU 566 HN LEU 566 -7.284 -23.900 11.186 123 HA LEU 566 HA LEU 566 -6.469 -24.075 13.921 124 HB2 LEU 566 HB2 LEU 566 -9.157 -23.357 12.694 125 HB3 LEU 566 HB1 LEU 566 -8.781 -23.192 14.405 126 HG LEU 566 HG LEU 566 -7.371 -21.681 12.166 127 HD11 LEU 566 HD11 LEU 566 -8.561 -19.693 12.930 128 HD12 LEU 566 HD12 LEU 566 -9.460 -20.655 14.107 129 HD13 LEU 566 HD13 LEU 566 -9.684 -20.935 12.376 130 HD21 LEU 566 HD21 LEU 566 -5.897 -22.050 14.083 131 HD22 LEU 566 HD22 LEU 566 -7.101 -21.354 15.169 132 HD23 LEU 566 HD23 LEU 566 -6.334 -20.348 13.938 133 H LYS 567 HN LYS 567 -8.447 -26.048 11.812 134 HA LYS 567 HA LYS 567 -9.452 -27.751 13.975 135 HB2 LYS 567 HB2 LYS 567 -9.919 -27.959 10.967 136 HB3 LYS 567 HB1 LYS 567 -10.778 -28.850 12.226 137 HG2 LYS 567 HG2 LYS 567 -11.683 -26.670 13.084 138 HG3 LYS 567 HG1 LYS 567 -10.875 -25.859 11.734 139 HD2 LYS 567 HD2 LYS 567 -12.220 -27.266 10.139 140 HD3 LYS 567 HD1 LYS 567 -13.067 -27.959 11.525 141 HE2 LYS 567 HE2 LYS 567 -14.433 -26.210 10.524 142 HE3 LYS 567 HE1 LYS 567 -13.896 -25.677 12.119 143 HZ1 LYS 567 HZ1 LYS 567 -12.666 -24.898 9.526 144 HZ2 LYS 567 HZ2 LYS 567 -12.182 -24.345 11.055 145 HZ3 LYS 567 HZ3 LYS 567 -13.712 -23.940 10.450 146 H THR 568 HN THR 568 -7.091 -27.787 11.368 147 HA THR 568 HA THR 568 -6.615 -30.618 11.279 148 HB THR 568 HB THR 568 -4.840 -28.333 10.270 149 HG1 THR 568 HG1 THR 568 -7.152 -29.508 9.257 150 HG21 THR 568 HG21 THR 568 -3.622 -30.495 10.396 151 HG22 THR 568 HG22 THR 568 -3.889 -30.013 8.722 152 HG23 THR 568 HG23 THR 568 -4.898 -31.267 9.444 153 H TYR 569 HN TYR 569 -4.923 -27.841 12.707 154 HA TYR 569 HA TYR 569 -3.042 -29.620 14.122 155 HB2 TYR 569 HB2 TYR 569 -2.902 -26.578 13.849 156 HB3 TYR 569 HB1 TYR 569 -1.619 -27.662 14.393 157 HD1 TYR 569 HD2 TYR 569 -1.020 -29.605 12.583 158 HD2 TYR 569 HD1 TYR 569 -2.755 -25.826 11.623 159 HE1 TYR 569 HE2 TYR 569 -0.247 -29.837 10.260 160 HE2 TYR 569 HE1 TYR 569 -2.002 -26.062 9.306 161 HH TYR 569 HH TYR 569 -0.346 -27.221 8.029 162 HA PRO 570 HA PRO 570 -5.627 -28.707 17.775 163 HB2 PRO 570 HB2 PRO 570 -4.302 -30.259 19.590 164 HB3 PRO 570 HB1 PRO 570 -5.371 -30.944 18.357 165 HG2 PRO 570 HG2 PRO 570 -2.367 -30.733 18.346 166 HG3 PRO 570 HG1 PRO 570 -3.387 -32.110 17.881 167 HD2 PRO 570 HD2 PRO 570 -2.285 -30.392 16.046 168 HD3 PRO 570 HD1 PRO 570 -3.825 -31.235 15.771 169 H VAL 571 HN VAL 571 -5.436 -27.387 19.593 170 HA VAL 571 HA VAL 571 -3.419 -25.417 19.653 171 HB VAL 571 HB VAL 571 -5.700 -24.964 20.439 172 HG11 VAL 571 HG11 VAL 571 -5.094 -26.801 22.794 173 HG12 VAL 571 HG12 VAL 571 -6.221 -27.137 21.480 174 HG13 VAL 571 HG13 VAL 571 -6.552 -25.819 22.604 175 HG21 VAL 571 HG21 VAL 571 -5.180 -23.655 22.475 176 HG22 VAL 571 HG22 VAL 571 -3.892 -23.496 21.281 177 HG23 VAL 571 HG23 VAL 571 -3.671 -24.554 22.677 178 H ASN 572 HN ASN 572 -3.672 -28.510 21.201 179 HA ASN 572 HA ASN 572 -1.946 -28.239 23.423 180 HB2 ASN 572 HB2 ASN 572 -2.528 -30.725 21.750 181 HB3 ASN 572 HB1 ASN 572 -1.815 -30.729 23.363 182 HD21 ASN 572 HD21 ASN 572 -3.144 -30.155 25.152 183 HD22 ASN 572 HD22 ASN 572 -4.868 -30.227 25.041 184 H THR 573 HN THR 573 -1.274 -28.615 20.029 185 HA THR 573 HA THR 573 1.423 -29.492 20.156 186 HB THR 573 HB THR 573 0.014 -27.899 17.959 187 HG1 THR 573 HG1 THR 573 0.051 -30.634 18.650 188 HG21 THR 573 HG21 THR 573 1.656 -28.923 16.426 189 HG22 THR 573 HG22 THR 573 2.449 -29.714 17.789 190 HG23 THR 573 HG23 THR 573 2.478 -27.955 17.655 191 HA PRO 574 HA PRO 574 3.187 -25.458 21.528 192 HB2 PRO 574 HB2 PRO 574 5.837 -26.129 21.303 193 HB3 PRO 574 HB1 PRO 574 4.832 -26.674 22.655 194 HG2 PRO 574 HG2 PRO 574 5.562 -28.159 20.124 195 HG3 PRO 574 HG1 PRO 574 5.613 -28.737 21.805 196 HD2 PRO 574 HD2 PRO 574 3.547 -29.356 20.180 197 HD3 PRO 574 HD1 PRO 574 3.288 -29.034 21.909 198 H GLU 575 HN GLU 575 3.745 -27.160 18.566 199 HA GLU 575 HA GLU 575 4.805 -24.828 17.116 200 HB2 GLU 575 HB2 GLU 575 4.521 -27.723 16.195 201 HB3 GLU 575 HB1 GLU 575 5.379 -26.426 15.357 202 HG2 GLU 575 HG2 GLU 575 6.956 -26.282 17.293 203 HG3 GLU 575 HG1 GLU 575 6.135 -27.664 18.019 204 H ARG 576 HN ARG 576 2.000 -25.120 18.049 205 HA ARG 576 HA ARG 576 0.152 -26.004 16.188 206 HB2 ARG 576 HB2 ARG 576 -0.219 -25.237 18.581 207 HB3 ARG 576 HB1 ARG 576 -0.190 -23.581 18.012 208 HG2 ARG 576 HG2 ARG 576 -2.177 -25.468 16.767 209 HG3 ARG 576 HG1 ARG 576 -2.462 -24.943 18.419 210 HD2 ARG 576 HD2 ARG 576 -2.250 -22.550 17.543 211 HD3 ARG 576 HD1 ARG 576 -2.336 -23.241 15.918 212 HE ARG 576 HE ARG 576 -4.469 -22.880 17.798 213 HH11 ARG 576 HH11 ARG 576 -3.501 -24.721 14.973 214 HH12 ARG 576 HH12 ARG 576 -5.093 -25.320 14.663 215 HH21 ARG 576 HH21 ARG 576 -6.564 -23.627 17.351 216 HH22 ARG 576 HH22 ARG 576 -6.826 -24.688 16.010 217 H TRP 577 HN TRP 577 1.262 -22.630 16.616 218 HA TRP 577 HA TRP 577 -0.004 -21.703 14.202 219 HB2 TRP 577 HB2 TRP 577 1.923 -20.306 16.113 220 HB3 TRP 577 HB1 TRP 577 1.004 -19.510 14.834 221 HD1 TRP 577 HD1 TRP 577 0.671 -20.685 18.412 222 HE1 TRP 577 HE1 TRP 577 -1.712 -20.229 19.255 223 HE3 TRP 577 HE3 TRP 577 -1.541 -19.423 13.974 224 HZ2 TRP 577 HZ2 TRP 577 -4.208 -19.474 18.185 225 HZ3 TRP 577 HZ3 TRP 577 -3.936 -18.850 13.973 226 HH2 TRP 577 HH2 TRP 577 -5.230 -18.881 16.036 227 H LYS 578 HN LYS 578 3.103 -22.972 15.015 228 HA LYS 578 HA LYS 578 4.687 -21.951 12.868 229 HB2 LYS 578 HB2 LYS 578 4.948 -24.490 14.537 230 HB3 LYS 578 HB1 LYS 578 6.098 -24.070 13.277 231 HG2 LYS 578 HG2 LYS 578 7.002 -23.473 15.435 232 HG3 LYS 578 HG1 LYS 578 6.693 -22.014 14.501 233 HD2 LYS 578 HD2 LYS 578 4.588 -21.657 15.806 234 HD3 LYS 578 HD1 LYS 578 4.958 -23.099 16.758 235 HE2 LYS 578 HE2 LYS 578 5.595 -21.070 17.975 236 HE3 LYS 578 HE1 LYS 578 7.033 -22.016 17.576 237 HZ1 LYS 578 HZ1 LYS 578 7.393 -19.682 17.147 238 HZ2 LYS 578 HZ2 LYS 578 6.056 -19.623 16.116 239 HZ3 LYS 578 HZ3 LYS 578 7.411 -20.534 15.687 240 H LYS 579 HN LYS 579 2.566 -24.738 13.237 241 HA LYS 579 HA LYS 579 3.064 -25.839 10.610 242 HB2 LYS 579 HB2 LYS 579 0.950 -26.472 12.713 243 HB3 LYS 579 HB1 LYS 579 1.199 -27.392 11.228 244 HG2 LYS 579 HG2 LYS 579 3.472 -27.980 11.937 245 HG3 LYS 579 HG1 LYS 579 3.265 -27.040 13.422 246 HD2 LYS 579 HD2 LYS 579 1.475 -28.563 14.160 247 HD3 LYS 579 HD1 LYS 579 1.585 -29.456 12.640 248 HE2 LYS 579 HE2 LYS 579 3.762 -29.284 14.760 249 HE3 LYS 579 HE1 LYS 579 2.732 -30.674 14.422 250 HZ1 LYS 579 HZ1 LYS 579 4.697 -29.480 12.556 251 HZ2 LYS 579 HZ2 LYS 579 3.674 -30.774 12.198 252 HZ3 LYS 579 HZ3 LYS 579 4.867 -30.945 13.384 253 H ILE 580 HN ILE 580 0.748 -23.666 12.085 254 HA ILE 580 HA ILE 580 -1.096 -23.507 9.903 255 HB ILE 580 HB ILE 580 -0.530 -21.573 12.189 256 HG12 ILE 580 HG12 ILE 580 -2.686 -23.664 11.719 257 HG13 ILE 580 HG11 ILE 580 -1.448 -23.694 12.956 258 HG21 ILE 580 HG21 ILE 580 -2.639 -20.412 11.647 259 HG22 ILE 580 HG22 ILE 580 -2.831 -21.411 10.208 260 HG23 ILE 580 HG23 ILE 580 -1.483 -20.278 10.317 261 HD11 ILE 580 HD11 ILE 580 -3.761 -21.774 12.805 262 HD12 ILE 580 HD12 ILE 580 -2.532 -21.824 14.073 263 HD13 ILE 580 HD13 ILE 580 -3.629 -23.183 13.855 264 H ALA 581 HN ALA 581 1.953 -21.890 10.640 265 HA ALA 581 HA ALA 581 2.096 -19.948 8.656 266 HB1 ALA 581 HB1 ALA 581 4.527 -20.132 8.773 267 HB2 ALA 581 HB2 ALA 581 4.404 -21.729 9.523 268 HB3 ALA 581 HB3 ALA 581 3.845 -20.299 10.390 269 H GLU 582 HN GLU 582 2.555 -23.446 8.346 270 HA GLU 582 HA GLU 582 3.501 -23.514 5.659 271 HB2 GLU 582 HB2 GLU 582 1.957 -25.664 7.190 272 HB3 GLU 582 HB1 GLU 582 2.915 -25.927 5.731 273 HG2 GLU 582 HG2 GLU 582 4.954 -25.258 6.962 274 HG3 GLU 582 HG1 GLU 582 3.988 -25.028 8.421 275 H ALA 583 HN ALA 583 0.294 -23.541 7.125 276 HA ALA 583 HA ALA 583 -1.170 -24.106 4.697 277 HB1 ALA 583 HB1 ALA 583 -3.173 -23.756 6.092 278 HB2 ALA 583 HB2 ALA 583 -2.169 -23.135 7.408 279 HB3 ALA 583 HB3 ALA 583 -2.021 -24.818 6.900 280 H VAL 584 HN VAL 584 -0.281 -21.176 6.511 281 HA VAL 584 HA VAL 584 -1.951 -19.493 4.720 282 HB VAL 584 HB VAL 584 -1.141 -18.824 7.593 283 HG11 VAL 584 HG11 VAL 584 -3.141 -17.481 5.723 284 HG12 VAL 584 HG12 VAL 584 -1.547 -16.845 6.153 285 HG13 VAL 584 HG13 VAL 584 -2.793 -17.008 7.388 286 HG21 VAL 584 HG21 VAL 584 -2.695 -20.742 7.605 287 HG22 VAL 584 HG22 VAL 584 -3.833 -19.847 6.596 288 HG23 VAL 584 HG23 VAL 584 -3.486 -19.293 8.237 289 HA PRO 585 HA PRO 585 2.190 -17.574 3.963 290 HB2 PRO 585 HB2 PRO 585 1.883 -17.042 1.359 291 HB3 PRO 585 HB1 PRO 585 2.120 -18.710 1.900 292 HG2 PRO 585 HG2 PRO 585 -0.442 -17.319 1.124 293 HG3 PRO 585 HG1 PRO 585 0.108 -18.951 0.693 294 HD2 PRO 585 HD2 PRO 585 -1.657 -18.359 2.789 295 HD3 PRO 585 HD1 PRO 585 -0.704 -19.855 2.653 296 H GLY 586 HN GLY 586 2.773 -15.364 3.564 297 HA2 GLY 586 HA2 GLY 586 2.544 -13.122 3.049 298 HA3 GLY 586 HA1 GLY 586 0.835 -13.363 2.740 299 H ARG 587 HN ARG 587 0.175 -14.492 5.307 300 HA ARG 587 HA ARG 587 0.419 -12.133 7.053 301 HB2 ARG 587 HB2 ARG 587 -1.610 -14.396 6.966 302 HB3 ARG 587 HB1 ARG 587 -1.509 -13.259 8.306 303 HG2 ARG 587 HG2 ARG 587 -2.124 -12.528 5.420 304 HG3 ARG 587 HG1 ARG 587 -3.295 -12.661 6.730 305 HD2 ARG 587 HD2 ARG 587 -2.928 -10.356 6.650 306 HD3 ARG 587 HD1 ARG 587 -1.805 -10.839 7.908 307 HE ARG 587 HE ARG 587 -0.671 -10.764 5.246 308 HH11 ARG 587 HH11 ARG 587 -1.161 -8.934 8.207 309 HH12 ARG 587 HH12 ARG 587 0.022 -7.748 7.780 310 HH21 ARG 587 HH21 ARG 587 0.878 -9.194 4.760 311 HH22 ARG 587 HH22 ARG 587 1.146 -7.884 5.858 312 H THR 588 HN THR 588 1.376 -12.236 8.955 313 HA THR 588 HA THR 588 2.935 -14.613 9.628 314 HB THR 588 HB THR 588 3.917 -13.177 11.467 315 HG1 THR 588 HG1 THR 588 2.178 -11.235 10.321 316 HG21 THR 588 HG21 THR 588 5.044 -13.237 9.269 317 HG22 THR 588 HG22 THR 588 5.174 -11.635 9.995 318 HG23 THR 588 HG23 THR 588 4.020 -11.915 8.692 319 H LYS 589 HN LYS 589 3.138 -15.055 12.069 320 HA LYS 589 HA LYS 589 0.665 -16.312 12.745 321 HB2 LYS 589 HB2 LYS 589 3.411 -16.277 13.987 322 HB3 LYS 589 HB1 LYS 589 2.066 -17.002 14.850 323 HG2 LYS 589 HG2 LYS 589 3.507 -18.616 13.543 324 HG3 LYS 589 HG1 LYS 589 1.784 -18.723 13.217 325 HD2 LYS 589 HD2 LYS 589 3.473 -17.014 11.394 326 HD3 LYS 589 HD1 LYS 589 3.621 -18.760 11.248 327 HE2 LYS 589 HE2 LYS 589 1.261 -18.982 10.666 328 HE3 LYS 589 HE1 LYS 589 0.956 -17.291 11.055 329 HZ1 LYS 589 HZ1 LYS 589 1.104 -17.650 8.687 330 HZ2 LYS 589 HZ2 LYS 589 2.674 -18.264 8.845 331 HZ3 LYS 589 HZ3 LYS 589 2.357 -16.649 9.219 332 H LYS 590 HN LYS 590 2.199 -13.336 13.799 333 HA LYS 590 HA LYS 590 0.590 -12.899 16.116 334 HB2 LYS 590 HB2 LYS 590 1.279 -10.602 16.051 335 HB3 LYS 590 HB1 LYS 590 2.665 -11.550 15.522 336 HG2 LYS 590 HG2 LYS 590 2.208 -10.958 13.177 337 HG3 LYS 590 HG1 LYS 590 0.769 -10.059 13.672 338 HD2 LYS 590 HD2 LYS 590 2.274 -8.556 15.036 339 HD3 LYS 590 HD1 LYS 590 3.661 -9.396 14.328 340 HE2 LYS 590 HE2 LYS 590 1.570 -7.760 12.855 341 HE3 LYS 590 HE1 LYS 590 3.269 -7.353 13.085 342 HZ1 LYS 590 HZ1 LYS 590 2.965 -8.187 10.889 343 HZ2 LYS 590 HZ2 LYS 590 2.167 -9.567 11.450 344 HZ3 LYS 590 HZ3 LYS 590 3.814 -9.360 11.763 345 H ASP 591 HN ASP 591 0.175 -12.265 12.645 346 HA ASP 591 HA ASP 591 -2.351 -10.916 12.783 347 HB2 ASP 591 HB2 ASP 591 -0.947 -12.385 10.498 348 HB3 ASP 591 HB1 ASP 591 -2.516 -11.617 10.291 349 H CYS 592 HN CYS 592 -1.335 -14.282 12.542 350 HA CYS 592 HA CYS 592 -3.888 -15.414 11.938 351 HB2 CYS 592 HB2 CYS 592 -1.385 -16.728 13.095 352 HB3 CYS 592 HB1 CYS 592 -2.785 -17.598 12.460 353 HG CYS 592 HG CYS 592 -1.390 -15.383 10.356 354 H MET 593 HN MET 593 -2.090 -14.848 14.946 355 HA MET 593 HA MET 593 -4.037 -16.054 16.705 356 HB2 MET 593 HB2 MET 593 -1.586 -14.301 17.136 357 HB3 MET 593 HB1 MET 593 -2.651 -14.701 18.474 358 HG2 MET 593 HG2 MET 593 -2.240 -17.098 18.090 359 HG3 MET 593 HG1 MET 593 -1.164 -16.699 16.755 360 HE1 MET 593 HE1 MET 593 1.960 -15.245 18.498 361 HE2 MET 593 HE2 MET 593 0.686 -14.443 17.577 362 HE3 MET 593 HE3 MET 593 1.323 -16.000 17.037 363 H LYS 594 HN LYS 594 -3.337 -12.804 15.552 364 HA LYS 594 HA LYS 594 -5.146 -11.268 17.071 365 HB2 LYS 594 HB2 LYS 594 -3.398 -10.261 15.638 366 HB3 LYS 594 HB1 LYS 594 -4.184 -10.897 14.198 367 HG2 LYS 594 HG2 LYS 594 -6.166 -9.429 14.700 368 HG3 LYS 594 HG1 LYS 594 -5.249 -8.726 16.038 369 HD2 LYS 594 HD2 LYS 594 -3.518 -7.952 14.431 370 HD3 LYS 594 HD1 LYS 594 -4.438 -8.667 13.105 371 HE2 LYS 594 HE2 LYS 594 -5.408 -6.402 14.891 372 HE3 LYS 594 HE1 LYS 594 -4.781 -6.228 13.253 373 HZ1 LYS 594 HZ1 LYS 594 -7.216 -6.224 13.349 374 HZ2 LYS 594 HZ2 LYS 594 -7.197 -7.796 13.978 375 HZ3 LYS 594 HZ3 LYS 594 -6.621 -7.503 12.414 376 H ARG 595 HN ARG 595 -5.509 -12.866 13.917 377 HA ARG 595 HA ARG 595 -8.225 -12.037 13.523 378 HB2 ARG 595 HB2 ARG 595 -6.638 -12.467 11.626 379 HB3 ARG 595 HB1 ARG 595 -6.666 -14.184 12.019 380 HG2 ARG 595 HG2 ARG 595 -8.145 -13.705 10.138 381 HG3 ARG 595 HG1 ARG 595 -9.082 -14.267 11.524 382 HD2 ARG 595 HD2 ARG 595 -9.711 -11.936 12.041 383 HD3 ARG 595 HD1 ARG 595 -8.762 -11.366 10.662 384 HE ARG 595 HE ARG 595 -10.579 -13.245 9.710 385 HH11 ARG 595 HH11 ARG 595 -10.790 -10.070 11.217 386 HH12 ARG 595 HH12 ARG 595 -12.236 -9.648 10.357 387 HH21 ARG 595 HH21 ARG 595 -12.449 -12.675 8.611 388 HH22 ARG 595 HH22 ARG 595 -13.175 -11.125 8.887 389 H TYR 596 HN TYR 596 -6.646 -15.004 14.667 390 HA TYR 596 HA TYR 596 -8.900 -16.685 14.857 391 HB2 TYR 596 HB2 TYR 596 -6.678 -17.596 15.155 392 HB3 TYR 596 HB1 TYR 596 -6.377 -16.574 16.555 393 HD1 TYR 596 HD2 TYR 596 -8.911 -19.149 15.445 394 HD2 TYR 596 HD1 TYR 596 -6.498 -17.662 18.643 395 HE1 TYR 596 HE2 TYR 596 -9.715 -20.958 16.892 396 HE2 TYR 596 HE1 TYR 596 -7.306 -19.475 20.098 397 HH TYR 596 HH TYR 596 -9.334 -20.980 20.216 398 H LYS 597 HN LYS 597 -7.523 -14.319 17.145 399 HA LYS 597 HA LYS 597 -9.366 -14.616 19.249 400 HB2 LYS 597 HB2 LYS 597 -7.351 -13.245 19.558 401 HB3 LYS 597 HB1 LYS 597 -7.892 -12.105 18.325 402 HG2 LYS 597 HG2 LYS 597 -9.826 -11.487 19.755 403 HG3 LYS 597 HG1 LYS 597 -9.263 -12.619 20.988 404 HD2 LYS 597 HD2 LYS 597 -7.211 -11.285 21.294 405 HD3 LYS 597 HD1 LYS 597 -7.735 -10.182 20.010 406 HE2 LYS 597 HE2 LYS 597 -8.181 -9.288 22.297 407 HE3 LYS 597 HE1 LYS 597 -9.654 -9.465 21.344 408 HZ1 LYS 597 HZ1 LYS 597 -9.879 -10.243 23.645 409 HZ2 LYS 597 HZ2 LYS 597 -8.701 -11.421 23.364 410 HZ3 LYS 597 HZ3 LYS 597 -10.165 -11.473 22.525 411 H GLU 598 HN GLU 598 -9.425 -12.469 16.378 412 HA GLU 598 HA GLU 598 -11.832 -11.112 16.779 413 HB2 GLU 598 HB2 GLU 598 -10.480 -11.956 14.178 414 HB3 GLU 598 HB1 GLU 598 -11.844 -10.841 14.239 415 HG2 GLU 598 HG2 GLU 598 -10.552 -9.226 15.483 416 HG3 GLU 598 HG1 GLU 598 -9.214 -10.360 15.659 417 H LEU 599 HN LEU 599 -11.254 -14.319 15.357 418 HA LEU 599 HA LEU 599 -13.916 -14.847 14.458 419 HB2 LEU 599 HB2 LEU 599 -11.779 -16.870 15.263 420 HB3 LEU 599 HB1 LEU 599 -13.230 -17.226 14.337 421 HG LEU 599 HG LEU 599 -10.877 -15.537 13.413 422 HD11 LEU 599 HD11 LEU 599 -11.792 -18.256 12.466 423 HD12 LEU 599 HD12 LEU 599 -10.360 -17.905 13.439 424 HD13 LEU 599 HD13 LEU 599 -10.467 -17.307 11.785 425 HD21 LEU 599 HD21 LEU 599 -13.410 -16.196 11.879 426 HD22 LEU 599 HD22 LEU 599 -11.984 -15.386 11.222 427 HD23 LEU 599 HD23 LEU 599 -12.934 -14.605 12.481 428 H VAL 600 HN VAL 600 -12.144 -15.563 17.454 429 HA VAL 600 HA VAL 600 -14.233 -16.995 18.769 430 HB VAL 600 HB VAL 600 -11.791 -15.628 19.998 431 HG11 VAL 600 HG11 VAL 600 -12.130 -17.128 21.945 432 HG12 VAL 600 HG12 VAL 600 -13.601 -17.764 21.207 433 HG13 VAL 600 HG13 VAL 600 -13.529 -16.075 21.704 434 HG21 VAL 600 HG21 VAL 600 -11.156 -17.346 18.333 435 HG22 VAL 600 HG22 VAL 600 -12.156 -18.536 19.163 436 HG23 VAL 600 HG23 VAL 600 -10.734 -17.866 19.964 437 H GLU 601 HN GLU 601 -13.391 -13.581 18.548 438 HA GLU 601 HA GLU 601 -14.985 -12.650 20.729 439 HB2 GLU 601 HB2 GLU 601 -13.935 -11.108 18.313 440 HB3 GLU 601 HB1 GLU 601 -14.727 -10.375 19.700 441 HG2 GLU 601 HG2 GLU 601 -12.041 -11.752 19.639 442 HG3 GLU 601 HG1 GLU 601 -12.361 -10.049 19.909 443 H MET 602 HN MET 602 -15.569 -13.196 17.283 444 HA MET 602 HA MET 602 -18.148 -11.926 17.203 445 HB2 MET 602 HB2 MET 602 -16.823 -13.881 15.280 446 HB3 MET 602 HB1 MET 602 -18.363 -13.086 14.972 447 HG2 MET 602 HG2 MET 602 -17.202 -10.881 15.106 448 HG3 MET 602 HG1 MET 602 -15.674 -11.736 15.281 449 HE1 MET 602 HE1 MET 602 -15.472 -13.587 11.764 450 HE2 MET 602 HE2 MET 602 -16.236 -14.255 13.207 451 HE3 MET 602 HE3 MET 602 -14.701 -13.398 13.340 452 H VAL 603 HN VAL 603 -17.044 -15.307 17.657 453 HA VAL 603 HA VAL 603 -19.706 -16.401 17.566 454 HB VAL 603 HB VAL 603 -18.786 -18.543 18.292 455 HG11 VAL 603 HG11 VAL 603 -16.981 -17.217 16.232 456 HG12 VAL 603 HG12 VAL 603 -18.545 -17.974 15.918 457 HG13 VAL 603 HG13 VAL 603 -17.181 -18.959 16.449 458 HG21 VAL 603 HG21 VAL 603 -16.137 -17.116 18.769 459 HG22 VAL 603 HG22 VAL 603 -16.384 -18.862 18.854 460 HG23 VAL 603 HG23 VAL 603 -17.186 -17.798 20.011 461 H LYS 604 HN LYS 604 -17.574 -15.239 20.186 462 HA LYS 604 HA LYS 604 -19.287 -16.193 22.306 463 HB2 LYS 604 HB2 LYS 604 -17.868 -15.035 23.847 464 HB3 LYS 604 HB1 LYS 604 -16.815 -15.682 22.598 465 HG2 LYS 604 HG2 LYS 604 -16.633 -13.465 21.560 466 HG3 LYS 604 HG1 LYS 604 -17.747 -12.796 22.753 467 HD2 LYS 604 HD2 LYS 604 -15.432 -12.235 23.328 468 HD3 LYS 604 HD1 LYS 604 -16.117 -13.305 24.554 469 HE2 LYS 604 HE2 LYS 604 -14.899 -15.208 23.626 470 HE3 LYS 604 HE1 LYS 604 -14.330 -14.230 22.271 471 HZ1 LYS 604 HZ1 LYS 604 -12.692 -14.557 24.057 472 HZ2 LYS 604 HZ2 LYS 604 -13.673 -13.663 25.099 473 HZ3 LYS 604 HZ3 LYS 604 -13.015 -12.933 23.725 474 H ALA 605 HN ALA 605 -19.057 -13.270 20.371 475 HA ALA 605 HA ALA 605 -20.804 -11.590 21.851 476 HB1 ALA 605 HB1 ALA 605 -20.240 -11.602 18.864 477 HB2 ALA 605 HB2 ALA 605 -19.328 -10.712 20.082 478 HB3 ALA 605 HB3 ALA 605 -21.010 -10.284 19.763 479 H LYS 606 HN LYS 606 -21.330 -13.795 19.085 480 HA LYS 606 HA LYS 606 -24.106 -13.623 18.842 481 HB2 LYS 606 HB2 LYS 606 -22.995 -14.828 17.117 482 HB3 LYS 606 HB1 LYS 606 -22.147 -15.864 18.257 483 HG2 LYS 606 HG2 LYS 606 -24.152 -17.123 18.735 484 HG3 LYS 606 HG1 LYS 606 -25.157 -15.993 17.828 485 HD2 LYS 606 HD2 LYS 606 -22.939 -17.613 16.527 486 HD3 LYS 606 HD1 LYS 606 -24.584 -18.229 16.691 487 HE2 LYS 606 HE2 LYS 606 -23.790 -15.693 15.210 488 HE3 LYS 606 HE1 LYS 606 -24.209 -17.235 14.461 489 HZ1 LYS 606 HZ1 LYS 606 -26.102 -15.777 14.423 490 HZ2 LYS 606 HZ2 LYS 606 -26.018 -15.530 16.093 491 HZ3 LYS 606 HZ3 LYS 606 -26.419 -17.055 15.483 492 H LYS 607 HN LYS 607 -22.186 -15.955 20.777 493 HA LYS 607 HA LYS 607 -24.386 -17.397 21.764 494 HB2 LYS 607 HB2 LYS 607 -21.571 -17.152 22.897 495 HB3 LYS 607 HB1 LYS 607 -22.790 -18.254 23.535 496 HG2 LYS 607 HG2 LYS 607 -22.925 -19.247 21.162 497 HG3 LYS 607 HG1 LYS 607 -21.458 -18.328 20.821 498 HD2 LYS 607 HD2 LYS 607 -20.831 -20.591 21.431 499 HD3 LYS 607 HD1 LYS 607 -20.327 -19.505 22.732 500 HE2 LYS 607 HE2 LYS 607 -22.404 -20.129 23.994 501 HE3 LYS 607 HE1 LYS 607 -22.804 -21.286 22.724 502 HZ1 LYS 607 HZ1 LYS 607 -20.388 -21.348 24.451 503 HZ2 LYS 607 HZ2 LYS 607 -20.734 -22.452 23.218 504 HZ3 LYS 607 HZ3 LYS 607 -21.736 -22.365 24.577 505 H ALA 608 HN ALA 608 -22.638 -14.619 23.177 506 HA ALA 608 HA ALA 608 -23.771 -14.609 25.754 507 HB1 ALA 608 HB1 ALA 608 -23.074 -12.234 25.856 508 HB2 ALA 608 HB2 ALA 608 -22.859 -12.218 24.101 509 HB3 ALA 608 HB3 ALA 608 -21.819 -13.225 25.108 510 H ALA 609 HN ALA 609 -24.724 -12.696 22.912 511 HA ALA 609 HA ALA 609 -27.004 -11.470 24.081 512 HB1 ALA 609 HB1 ALA 609 -25.793 -10.487 22.176 513 HB2 ALA 609 HB2 ALA 609 -27.502 -10.699 21.784 514 HB3 ALA 609 HB3 ALA 609 -26.294 -11.821 21.143 515 H GLN 610 HN GLN 610 -26.637 -14.214 21.856 516 HA GLN 610 HA GLN 610 -29.434 -14.609 21.390 517 HB2 GLN 610 HB2 GLN 610 -27.593 -15.179 19.764 518 HB3 GLN 610 HB1 GLN 610 -27.136 -16.532 20.791 519 HG2 GLN 610 HG2 GLN 610 -29.260 -17.627 20.365 520 HG3 GLN 610 HG1 GLN 610 -29.855 -16.220 19.486 521 HE21 GLN 610 HE21 GLN 610 -29.562 -18.996 18.601 522 HE22 GLN 610 HE22 GLN 610 -28.560 -18.950 17.197 523 H GLU 611 HN GLU 611 -27.179 -15.834 23.787 524 HA GLU 611 HA GLU 611 -28.798 -18.089 24.600 525 HB2 GLU 611 HB2 GLU 611 -26.156 -17.503 25.062 526 HB3 GLU 611 HB1 GLU 611 -26.831 -16.986 26.590 527 HG2 GLU 611 HG2 GLU 611 -26.139 -19.232 26.873 528 HG3 GLU 611 HG1 GLU 611 -27.896 -19.280 26.762 529 H GLN 612 HN GLN 612 -28.418 -14.717 25.601 530 HA GLN 612 HA GLN 612 -30.166 -14.815 27.864 531 HB2 GLN 612 HB2 GLN 612 -29.457 -12.467 26.049 532 HB3 GLN 612 HB1 GLN 612 -30.245 -12.335 27.623 533 HG2 GLN 612 HG2 GLN 612 -28.284 -13.186 28.751 534 HG3 GLN 612 HG1 GLN 612 -27.500 -13.551 27.214 535 HE21 GLN 612 HE21 GLN 612 -25.719 -12.257 27.553 536 HE22 GLN 612 HE22 GLN 612 -25.794 -10.532 27.631 537 H VAL 613 HN VAL 613 -30.681 -14.195 24.413 538 HA VAL 613 HA VAL 613 -33.506 -13.701 24.511 539 HB VAL 613 HB VAL 613 -31.800 -14.688 22.167 540 HG11 VAL 613 HG11 VAL 613 -34.580 -13.430 22.133 541 HG12 VAL 613 HG12 VAL 613 -34.206 -15.116 21.767 542 HG13 VAL 613 HG13 VAL 613 -33.624 -13.833 20.705 543 HG21 VAL 613 HG21 VAL 613 -32.613 -11.841 22.898 544 HG22 VAL 613 HG22 VAL 613 -31.704 -12.316 21.460 545 HG23 VAL 613 HG23 VAL 613 -30.992 -12.523 23.060 546 H LEU 614 HN LEU 614 -31.500 -16.574 24.274 547 HA LEU 614 HA LEU 614 -33.554 -18.490 23.701 548 HB2 LEU 614 HB2 LEU 614 -31.018 -18.738 23.319 549 HB3 LEU 614 HB1 LEU 614 -30.851 -19.002 25.036 550 HG LEU 614 HG LEU 614 -30.769 -21.071 23.573 551 HD11 LEU 614 HD11 LEU 614 -32.067 -22.511 25.052 552 HD12 LEU 614 HD12 LEU 614 -32.911 -21.106 25.705 553 HD13 LEU 614 HD13 LEU 614 -31.176 -21.287 25.956 554 HD21 LEU 614 HD21 LEU 614 -32.497 -20.445 21.971 555 HD22 LEU 614 HD22 LEU 614 -33.737 -20.573 23.221 556 HD23 LEU 614 HD23 LEU 614 -32.851 -22.010 22.702 557 H ASN 615 HN ASN 615 -32.046 -17.200 26.635 558 HA ASN 615 HA ASN 615 -33.270 -18.786 28.614 559 HB2 ASN 615 HB2 ASN 615 -31.374 -17.224 29.068 560 HB3 ASN 615 HB1 ASN 615 -32.429 -15.845 28.773 561 HD21 ASN 615 HD21 ASN 615 -32.335 -14.923 30.782 562 HD22 ASN 615 HD22 ASN 615 -32.901 -15.677 32.228 563 H ALA 616 HN ALA 616 -34.316 -15.840 26.963 564 HA ALA 616 HA ALA 616 -36.743 -15.363 28.359 565 HB1 ALA 616 HB1 ALA 616 -35.978 -14.601 25.511 566 HB2 ALA 616 HB2 ALA 616 -35.645 -13.653 26.959 567 HB3 ALA 616 HB3 ALA 616 -37.312 -13.904 26.446 568 H SER 617 HN SER 617 -35.928 -17.328 25.525 569 HA SER 617 HA SER 617 -38.625 -18.057 24.842 570 HB2 SER 617 HB2 SER 617 -36.735 -18.027 23.189 571 HB3 SER 617 HB1 SER 617 -36.010 -19.406 24.008 572 HG SER 617 HG SER 617 -37.685 -20.678 23.347 573 H ARG 618 HN ARG 618 -36.199 -19.343 27.040 574 HA ARG 618 HA ARG 618 -37.661 -21.826 27.581 575 HB2 ARG 618 HB2 ARG 618 -35.213 -20.604 28.944 576 HB3 ARG 618 HB1 ARG 618 -35.888 -22.184 29.322 577 HG2 ARG 618 HG2 ARG 618 -34.574 -21.352 26.719 578 HG3 ARG 618 HG1 ARG 618 -33.903 -22.423 27.946 579 HD2 ARG 618 HD2 ARG 618 -35.832 -23.990 27.495 580 HD3 ARG 618 HD1 ARG 618 -36.274 -22.957 26.131 581 HE ARG 618 HE ARG 618 -33.535 -23.856 26.068 582 HH11 ARG 618 HH11 ARG 618 -36.805 -24.676 25.086 583 HH12 ARG 618 HH12 ARG 618 -36.270 -25.871 23.958 584 HH21 ARG 618 HH21 ARG 618 -32.886 -25.375 24.563 585 HH22 ARG 618 HH22 ARG 618 -34.063 -26.251 23.648 586 H ALA 619 HN ALA 619 -37.658 -18.556 28.654 587 HA ALA 619 HA ALA 619 -38.628 -18.928 31.320 588 HB1 ALA 619 HB1 ALA 619 -39.141 -16.514 31.226 589 HB2 ALA 619 HB2 ALA 619 -38.809 -16.498 29.492 590 HB3 ALA 619 HB3 ALA 619 -37.509 -16.841 30.637 591 H LYS 620 HN LYS 620 -40.371 -20.228 31.402 592 HA LYS 620 HA LYS 620 -42.608 -20.268 29.655 593 HB2 LYS 620 HB2 LYS 620 -41.921 -22.207 31.025 594 HB3 LYS 620 HB1 LYS 620 -42.247 -21.317 32.500 595 HG2 LYS 620 HG2 LYS 620 -44.011 -22.925 32.129 596 HG3 LYS 620 HG1 LYS 620 -44.663 -21.298 31.938 597 HD2 LYS 620 HD2 LYS 620 -45.558 -22.816 30.220 598 HD3 LYS 620 HD1 LYS 620 -44.596 -21.536 29.490 599 HE2 LYS 620 HE2 LYS 620 -44.181 -23.730 28.431 600 HE3 LYS 620 HE1 LYS 620 -42.725 -23.087 29.183 601 HZ1 LYS 620 HZ1 LYS 620 -43.092 -24.550 31.065 602 HZ2 LYS 620 HZ2 LYS 620 -43.018 -25.448 29.639 603 HZ3 LYS 620 HZ3 LYS 620 -44.511 -25.145 30.368 604 H LYS 621 HN LYS 621 -44.733 -19.454 29.939 605 HA LYS 621 HA LYS 621 -45.101 -17.004 31.351 606 HB2 LYS 621 HB2 LYS 621 -47.159 -18.872 30.095 607 HB3 LYS 621 HB1 LYS 621 -47.493 -17.236 30.645 608 HG2 LYS 621 HG2 LYS 621 -45.578 -17.977 28.405 609 HG3 LYS 621 HG1 LYS 621 -47.223 -17.386 28.185 610 HD2 LYS 621 HD2 LYS 621 -44.929 -15.833 29.460 611 HD3 LYS 621 HD1 LYS 621 -45.567 -15.581 27.835 612 HE2 LYS 621 HE2 LYS 621 -47.796 -15.004 28.893 613 HE3 LYS 621 HE1 LYS 621 -46.998 -15.065 30.467 614 HZ1 LYS 621 HZ1 LYS 621 -45.464 -13.333 29.617 615 HZ2 LYS 621 HZ2 LYS 621 -47.073 -12.835 29.732 616 HZ3 LYS 621 HZ3 LYS 621 -46.420 -13.220 28.226 Start of MODEL 16 1 H PHE 551 HN PHE 551 -2.290 -1.375 5.603 2 HA PHE 551 HA PHE 551 -1.677 -4.221 5.051 3 HB2 PHE 551 HB2 PHE 551 -1.335 -3.464 7.389 4 HB3 PHE 551 HB1 PHE 551 -3.010 -2.937 7.491 5 HD1 PHE 551 HD2 PHE 551 -0.773 -5.901 7.384 6 HD2 PHE 551 HD1 PHE 551 -4.820 -4.584 7.838 7 HE1 PHE 551 HE2 PHE 551 -1.425 -8.145 8.157 8 HE2 PHE 551 HE1 PHE 551 -5.461 -6.831 8.606 9 HZ PHE 551 HZ PHE 551 -3.767 -8.617 8.763 10 H THR 552 HN THR 552 -3.064 -5.003 3.529 11 HA THR 552 HA THR 552 -5.915 -4.431 3.532 12 HB THR 552 HB THR 552 -5.929 -6.274 1.731 13 HG1 THR 552 HG1 THR 552 -3.212 -6.067 1.361 14 HG21 THR 552 HG21 THR 552 -4.859 -4.866 0.006 15 HG22 THR 552 HG22 THR 552 -4.054 -3.922 1.260 16 HG23 THR 552 HG23 THR 552 -5.813 -3.876 1.114 17 HA PRO 553 HA PRO 553 -6.818 -7.545 6.618 18 HB2 PRO 553 HB2 PRO 553 -9.500 -7.868 6.310 19 HB3 PRO 553 HB1 PRO 553 -8.805 -6.354 6.917 20 HG2 PRO 553 HG2 PRO 553 -9.700 -7.036 4.110 21 HG3 PRO 553 HG1 PRO 553 -10.058 -5.582 5.068 22 HD2 PRO 553 HD2 PRO 553 -8.089 -5.633 3.183 23 HD3 PRO 553 HD1 PRO 553 -7.966 -4.634 4.646 24 H TRP 554 HN TRP 554 -7.949 -9.673 6.904 25 HA TRP 554 HA TRP 554 -6.974 -11.598 5.023 26 HB2 TRP 554 HB2 TRP 554 -8.654 -11.845 7.551 27 HB3 TRP 554 HB1 TRP 554 -8.125 -13.234 6.610 28 HD1 TRP 554 HD1 TRP 554 -6.316 -10.174 8.286 29 HE1 TRP 554 HE1 TRP 554 -4.221 -11.095 9.466 30 HE3 TRP 554 HE3 TRP 554 -6.754 -15.081 6.975 31 HZ2 TRP 554 HZ2 TRP 554 -2.911 -13.575 9.779 32 HZ3 TRP 554 HZ3 TRP 554 -5.048 -16.677 7.757 33 HH2 TRP 554 HH2 TRP 554 -3.165 -15.936 9.128 34 H THR 555 HN THR 555 -7.986 -11.958 3.169 35 HA THR 555 HA THR 555 -10.889 -11.716 2.825 36 HB THR 555 HB THR 555 -10.288 -12.204 0.389 37 HG1 THR 555 HG1 THR 555 -8.364 -13.060 0.193 38 HG21 THR 555 HG21 THR 555 -9.315 -9.993 -0.053 39 HG22 THR 555 HG22 THR 555 -8.831 -9.845 1.638 40 HG23 THR 555 HG23 THR 555 -10.544 -9.866 1.205 41 H THR 556 HN THR 556 -11.766 -13.617 1.211 42 HA THR 556 HA THR 556 -12.340 -15.700 2.931 43 HB THR 556 HB THR 556 -12.530 -15.783 -0.104 44 HG1 THR 556 HG1 THR 556 -14.828 -15.203 1.236 45 HG21 THR 556 HG21 THR 556 -14.419 -17.344 0.248 46 HG22 THR 556 HG22 THR 556 -14.136 -17.322 1.986 47 HG23 THR 556 HG23 THR 556 -12.924 -18.020 0.907 48 H GLU 557 HN GLU 557 -10.027 -15.786 0.215 49 HA GLU 557 HA GLU 557 -9.247 -18.498 0.466 50 HB2 GLU 557 HB2 GLU 557 -7.297 -17.896 -0.980 51 HB3 GLU 557 HB1 GLU 557 -8.846 -17.396 -1.633 52 HG2 GLU 557 HG2 GLU 557 -7.334 -15.343 -0.057 53 HG3 GLU 557 HG1 GLU 557 -6.648 -15.805 -1.609 54 H GLU 558 HN GLU 558 -8.080 -15.574 2.054 55 HA GLU 558 HA GLU 558 -5.700 -16.791 3.183 56 HB2 GLU 558 HB2 GLU 558 -7.101 -14.205 4.002 57 HB3 GLU 558 HB1 GLU 558 -5.441 -14.673 4.396 58 HG2 GLU 558 HG2 GLU 558 -6.538 -14.055 1.631 59 HG3 GLU 558 HG1 GLU 558 -5.516 -13.001 2.604 60 H GLN 559 HN GLN 559 -8.989 -16.135 4.184 61 HA GLN 559 HA GLN 559 -8.775 -16.572 6.973 62 HB2 GLN 559 HB2 GLN 559 -11.143 -16.617 5.060 63 HB3 GLN 559 HB1 GLN 559 -11.331 -16.858 6.793 64 HG2 GLN 559 HG2 GLN 559 -9.958 -14.385 5.763 65 HG3 GLN 559 HG1 GLN 559 -11.711 -14.505 5.725 66 HE21 GLN 559 HE21 GLN 559 -9.663 -15.840 8.337 67 HE22 GLN 559 HE22 GLN 559 -10.240 -14.762 9.547 68 H LYS 560 HN LYS 560 -9.941 -18.623 4.293 69 HA LYS 560 HA LYS 560 -10.764 -20.818 5.846 70 HB2 LYS 560 HB2 LYS 560 -10.847 -22.101 3.755 71 HB3 LYS 560 HB1 LYS 560 -11.536 -20.497 3.532 72 HG2 LYS 560 HG2 LYS 560 -9.533 -19.741 2.370 73 HG3 LYS 560 HG1 LYS 560 -8.710 -21.263 2.715 74 HD2 LYS 560 HD2 LYS 560 -9.513 -21.190 0.392 75 HD3 LYS 560 HD1 LYS 560 -10.301 -22.481 1.300 76 HE2 LYS 560 HE2 LYS 560 -12.310 -21.042 1.568 77 HE3 LYS 560 HE1 LYS 560 -11.515 -19.767 0.638 78 HZ1 LYS 560 HZ1 LYS 560 -11.374 -21.346 -1.228 79 HZ2 LYS 560 HZ2 LYS 560 -12.960 -20.990 -0.771 80 HZ3 LYS 560 HZ3 LYS 560 -12.274 -22.469 -0.329 81 H LEU 561 HN LEU 561 -7.598 -20.057 4.406 82 HA LEU 561 HA LEU 561 -6.261 -22.507 4.842 83 HB2 LEU 561 HB2 LEU 561 -5.169 -19.664 4.875 84 HB3 LEU 561 HB1 LEU 561 -4.154 -21.103 4.877 85 HG LEU 561 HG LEU 561 -6.032 -20.255 2.636 86 HD11 LEU 561 HD11 LEU 561 -3.980 -19.847 1.349 87 HD12 LEU 561 HD12 LEU 561 -3.003 -20.232 2.770 88 HD13 LEU 561 HD13 LEU 561 -4.066 -18.822 2.782 89 HD21 LEU 561 HD21 LEU 561 -5.023 -22.105 1.340 90 HD22 LEU 561 HD22 LEU 561 -5.929 -22.682 2.736 91 HD23 LEU 561 HD23 LEU 561 -4.162 -22.642 2.786 92 H LEU 562 HN LEU 562 -6.660 -19.647 6.897 93 HA LEU 562 HA LEU 562 -5.194 -20.570 9.148 94 HB2 LEU 562 HB2 LEU 562 -5.710 -18.180 8.778 95 HB3 LEU 562 HB1 LEU 562 -7.424 -18.502 8.958 96 HG LEU 562 HG LEU 562 -7.030 -19.126 11.359 97 HD11 LEU 562 HD11 LEU 562 -4.182 -18.205 10.863 98 HD12 LEU 562 HD12 LEU 562 -4.705 -19.850 11.242 99 HD13 LEU 562 HD13 LEU 562 -4.895 -18.571 12.438 100 HD21 LEU 562 HD21 LEU 562 -7.760 -16.849 10.793 101 HD22 LEU 562 HD22 LEU 562 -6.080 -16.335 10.623 102 HD23 LEU 562 HD23 LEU 562 -6.692 -16.841 12.200 103 H GLU 563 HN GLU 563 -8.666 -20.651 8.334 104 HA GLU 563 HA GLU 563 -9.595 -21.522 10.867 105 HB2 GLU 563 HB2 GLU 563 -10.952 -21.482 8.143 106 HB3 GLU 563 HB1 GLU 563 -11.788 -21.877 9.650 107 HG2 GLU 563 HG2 GLU 563 -11.277 -19.644 10.536 108 HG3 GLU 563 HG1 GLU 563 -10.389 -19.244 9.067 109 H GLN 564 HN GLN 564 -8.905 -23.311 7.844 110 HA GLN 564 HA GLN 564 -9.755 -25.837 8.896 111 HB2 GLN 564 HB2 GLN 564 -8.812 -26.867 6.907 112 HB3 GLN 564 HB1 GLN 564 -9.735 -25.440 6.470 113 HG2 GLN 564 HG2 GLN 564 -7.875 -25.342 5.058 114 HG3 GLN 564 HG1 GLN 564 -7.457 -24.225 6.348 115 HE21 GLN 564 HE21 GLN 564 -7.223 -27.745 6.656 116 HE22 GLN 564 HE22 GLN 564 -5.501 -27.807 6.724 117 H ALA 565 HN ALA 565 -6.741 -24.045 8.899 118 HA ALA 565 HA ALA 565 -5.061 -26.169 9.885 119 HB1 ALA 565 HB1 ALA 565 -3.392 -24.402 10.226 120 HB2 ALA 565 HB2 ALA 565 -4.623 -23.166 9.949 121 HB3 ALA 565 HB3 ALA 565 -4.152 -24.249 8.638 122 H LEU 566 HN LEU 566 -7.133 -23.758 11.358 123 HA LEU 566 HA LEU 566 -6.317 -24.078 14.072 124 HB2 LEU 566 HB2 LEU 566 -8.957 -23.171 12.876 125 HB3 LEU 566 HB1 LEU 566 -8.594 -23.101 14.593 126 HG LEU 566 HG LEU 566 -7.016 -21.583 12.474 127 HD11 LEU 566 HD11 LEU 566 -9.231 -20.524 14.250 128 HD12 LEU 566 HD12 LEU 566 -9.299 -20.734 12.498 129 HD13 LEU 566 HD13 LEU 566 -8.192 -19.557 13.198 130 HD21 LEU 566 HD21 LEU 566 -5.728 -22.029 14.510 131 HD22 LEU 566 HD22 LEU 566 -7.005 -21.303 15.493 132 HD23 LEU 566 HD23 LEU 566 -6.094 -20.310 14.351 133 H LYS 567 HN LYS 567 -8.376 -25.875 11.907 134 HA LYS 567 HA LYS 567 -9.508 -27.589 13.979 135 HB2 LYS 567 HB2 LYS 567 -9.823 -27.581 10.946 136 HB3 LYS 567 HB1 LYS 567 -10.630 -28.727 12.011 137 HG2 LYS 567 HG2 LYS 567 -11.037 -25.712 11.950 138 HG3 LYS 567 HG1 LYS 567 -12.173 -26.943 11.381 139 HD2 LYS 567 HD2 LYS 567 -11.277 -26.506 14.266 140 HD3 LYS 567 HD1 LYS 567 -12.850 -26.069 13.597 141 HE2 LYS 567 HE2 LYS 567 -13.489 -28.374 13.368 142 HE3 LYS 567 HE1 LYS 567 -11.842 -28.941 13.635 143 HZ1 LYS 567 HZ1 LYS 567 -11.978 -28.145 15.911 144 HZ2 LYS 567 HZ2 LYS 567 -13.202 -29.266 15.574 145 HZ3 LYS 567 HZ3 LYS 567 -13.567 -27.622 15.648 146 H THR 568 HN THR 568 -7.064 -27.766 11.434 147 HA THR 568 HA THR 568 -6.679 -30.612 11.546 148 HB THR 568 HB THR 568 -4.946 -28.443 10.260 149 HG1 THR 568 HG1 THR 568 -7.291 -29.029 9.587 150 HG21 THR 568 HG21 THR 568 -3.643 -30.537 10.578 151 HG22 THR 568 HG22 THR 568 -3.998 -30.258 8.871 152 HG23 THR 568 HG23 THR 568 -4.928 -31.452 9.780 153 H TYR 569 HN TYR 569 -4.985 -27.778 12.838 154 HA TYR 569 HA TYR 569 -3.143 -29.485 14.393 155 HB2 TYR 569 HB2 TYR 569 -2.941 -26.479 13.847 156 HB3 TYR 569 HB1 TYR 569 -1.709 -27.497 14.601 157 HD1 TYR 569 HD2 TYR 569 -1.293 -29.769 13.006 158 HD2 TYR 569 HD1 TYR 569 -2.356 -25.862 11.628 159 HE1 TYR 569 HE2 TYR 569 -0.371 -30.299 10.796 160 HE2 TYR 569 HE1 TYR 569 -1.437 -26.400 9.410 161 HH TYR 569 HH TYR 569 -0.630 -29.566 8.469 162 HA PRO 570 HA PRO 570 -5.650 -28.083 17.968 163 HB2 PRO 570 HB2 PRO 570 -4.725 -29.809 19.813 164 HB3 PRO 570 HB1 PRO 570 -5.736 -30.375 18.473 165 HG2 PRO 570 HG2 PRO 570 -2.732 -30.507 18.764 166 HG3 PRO 570 HG1 PRO 570 -3.856 -31.766 18.208 167 HD2 PRO 570 HD2 PRO 570 -2.397 -30.131 16.499 168 HD3 PRO 570 HD1 PRO 570 -3.923 -30.925 16.049 169 H VAL 571 HN VAL 571 -5.251 -26.877 19.868 170 HA VAL 571 HA VAL 571 -2.995 -25.194 19.967 171 HB VAL 571 HB VAL 571 -5.228 -24.565 20.868 172 HG11 VAL 571 HG11 VAL 571 -5.999 -25.358 23.085 173 HG12 VAL 571 HG12 VAL 571 -4.636 -26.475 23.161 174 HG13 VAL 571 HG13 VAL 571 -5.876 -26.687 21.925 175 HG21 VAL 571 HG21 VAL 571 -3.029 -24.346 22.966 176 HG22 VAL 571 HG22 VAL 571 -4.480 -23.341 22.892 177 HG23 VAL 571 HG23 VAL 571 -3.275 -23.249 21.605 178 H ASN 572 HN ASN 572 -3.544 -28.318 21.321 179 HA ASN 572 HA ASN 572 -1.681 -28.385 23.461 180 HB2 ASN 572 HB2 ASN 572 -2.683 -30.720 21.775 181 HB3 ASN 572 HB1 ASN 572 -2.002 -30.822 23.400 182 HD21 ASN 572 HD21 ASN 572 -3.271 -30.081 25.172 183 HD22 ASN 572 HD22 ASN 572 -4.982 -29.880 25.027 184 H THR 573 HN THR 573 -1.310 -28.712 20.012 185 HA THR 573 HA THR 573 1.287 -29.936 19.989 186 HB THR 573 HB THR 573 -0.250 -28.385 17.854 187 HG1 THR 573 HG1 THR 573 -0.233 -31.012 18.725 188 HG21 THR 573 HG21 THR 573 1.297 -29.373 16.195 189 HG22 THR 573 HG22 THR 573 2.259 -30.071 17.498 190 HG23 THR 573 HG23 THR 573 2.166 -28.319 17.316 191 HA PRO 574 HA PRO 574 3.519 -26.098 21.149 192 HB2 PRO 574 HB2 PRO 574 5.942 -27.577 20.187 193 HB3 PRO 574 HB1 PRO 574 5.619 -26.869 21.775 194 HG2 PRO 574 HG2 PRO 574 5.592 -29.530 21.423 195 HG3 PRO 574 HG1 PRO 574 4.432 -28.746 22.515 196 HD2 PRO 574 HD2 PRO 574 4.002 -29.738 19.694 197 HD3 PRO 574 HD1 PRO 574 2.955 -29.915 21.123 198 H GLU 575 HN GLU 575 3.753 -27.790 18.125 199 HA GLU 575 HA GLU 575 4.949 -25.574 16.629 200 HB2 GLU 575 HB2 GLU 575 4.096 -28.332 15.648 201 HB3 GLU 575 HB1 GLU 575 5.149 -27.189 14.814 202 HG2 GLU 575 HG2 GLU 575 6.885 -27.521 16.514 203 HG3 GLU 575 HG1 GLU 575 5.823 -28.596 17.426 204 H ARG 576 HN ARG 576 2.146 -25.500 17.760 205 HA ARG 576 HA ARG 576 0.124 -26.148 15.958 206 HB2 ARG 576 HB2 ARG 576 -0.064 -25.517 18.415 207 HB3 ARG 576 HB1 ARG 576 0.071 -23.834 17.944 208 HG2 ARG 576 HG2 ARG 576 -2.114 -25.515 16.736 209 HG3 ARG 576 HG1 ARG 576 -2.274 -24.991 18.405 210 HD2 ARG 576 HD2 ARG 576 -1.962 -22.615 17.570 211 HD3 ARG 576 HD1 ARG 576 -2.102 -23.250 15.928 212 HE ARG 576 HE ARG 576 -4.198 -22.885 17.865 213 HH11 ARG 576 HH11 ARG 576 -3.340 -24.479 14.859 214 HH12 ARG 576 HH12 ARG 576 -4.941 -25.068 14.569 215 HH21 ARG 576 HH21 ARG 576 -6.306 -23.638 17.463 216 HH22 ARG 576 HH22 ARG 576 -6.628 -24.582 16.047 217 H TRP 577 HN TRP 577 1.361 -22.849 16.594 218 HA TRP 577 HA TRP 577 0.155 -21.774 14.206 219 HB2 TRP 577 HB2 TRP 577 2.004 -20.492 16.256 220 HB3 TRP 577 HB1 TRP 577 1.218 -19.623 14.943 221 HD1 TRP 577 HD1 TRP 577 0.552 -20.957 18.432 222 HE1 TRP 577 HE1 TRP 577 -1.820 -20.312 19.162 223 HE3 TRP 577 HE3 TRP 577 -1.247 -19.216 13.958 224 HZ2 TRP 577 HZ2 TRP 577 -4.160 -19.235 18.013 225 HZ3 TRP 577 HZ3 TRP 577 -3.568 -18.399 13.868 226 HH2 TRP 577 HH2 TRP 577 -4.991 -18.410 15.852 227 H LYS 578 HN LYS 578 3.180 -23.209 14.969 228 HA LYS 578 HA LYS 578 4.868 -21.978 13.020 229 HB2 LYS 578 HB2 LYS 578 5.056 -24.699 14.389 230 HB3 LYS 578 HB1 LYS 578 6.282 -24.093 13.291 231 HG2 LYS 578 HG2 LYS 578 7.070 -23.753 15.516 232 HG3 LYS 578 HG1 LYS 578 6.678 -22.169 14.842 233 HD2 LYS 578 HD2 LYS 578 4.566 -22.137 16.120 234 HD3 LYS 578 HD1 LYS 578 4.898 -23.754 16.743 235 HE2 LYS 578 HE2 LYS 578 6.905 -22.886 17.906 236 HE3 LYS 578 HE1 LYS 578 6.551 -21.266 17.293 237 HZ1 LYS 578 HZ1 LYS 578 4.471 -21.297 18.496 238 HZ2 LYS 578 HZ2 LYS 578 5.761 -21.572 19.553 239 HZ3 LYS 578 HZ3 LYS 578 4.781 -22.861 19.064 240 H LYS 579 HN LYS 579 2.786 -24.827 13.007 241 HA LYS 579 HA LYS 579 3.350 -25.581 10.273 242 HB2 LYS 579 HB2 LYS 579 1.233 -26.529 12.246 243 HB3 LYS 579 HB1 LYS 579 1.505 -27.246 10.656 244 HG2 LYS 579 HG2 LYS 579 3.759 -27.941 11.319 245 HG3 LYS 579 HG1 LYS 579 3.566 -27.152 12.893 246 HD2 LYS 579 HD2 LYS 579 1.759 -28.704 13.480 247 HD3 LYS 579 HD1 LYS 579 1.838 -29.449 11.880 248 HE2 LYS 579 HE2 LYS 579 4.159 -30.211 12.390 249 HE3 LYS 579 HE1 LYS 579 4.008 -29.527 14.011 250 HZ1 LYS 579 HZ1 LYS 579 3.543 -31.871 14.042 251 HZ2 LYS 579 HZ2 LYS 579 2.348 -31.699 12.857 252 HZ3 LYS 579 HZ3 LYS 579 2.124 -31.019 14.392 253 H ILE 580 HN ILE 580 1.019 -23.563 11.943 254 HA ILE 580 HA ILE 580 -0.781 -23.138 9.761 255 HB ILE 580 HB ILE 580 -0.196 -21.518 12.272 256 HG12 ILE 580 HG12 ILE 580 -2.551 -23.262 11.429 257 HG13 ILE 580 HG11 ILE 580 -1.344 -23.662 12.640 258 HG21 ILE 580 HG21 ILE 580 -2.354 -20.860 10.238 259 HG22 ILE 580 HG22 ILE 580 -0.922 -19.889 10.582 260 HG23 ILE 580 HG23 ILE 580 -2.159 -20.101 11.819 261 HD11 ILE 580 HD11 ILE 580 -3.415 -21.479 12.839 262 HD12 ILE 580 HD12 ILE 580 -2.205 -21.866 14.067 263 HD13 ILE 580 HD13 ILE 580 -3.447 -23.045 13.648 264 H ALA 581 HN ALA 581 2.336 -21.726 10.623 265 HA ALA 581 HA ALA 581 2.513 -19.697 8.678 266 HB1 ALA 581 HB1 ALA 581 4.948 -19.924 8.826 267 HB2 ALA 581 HB2 ALA 581 4.778 -21.498 9.610 268 HB3 ALA 581 HB3 ALA 581 4.230 -20.037 10.430 269 H GLU 582 HN GLU 582 2.966 -23.174 8.391 270 HA GLU 582 HA GLU 582 3.783 -23.166 5.624 271 HB2 GLU 582 HB2 GLU 582 2.819 -25.453 7.400 272 HB3 GLU 582 HB1 GLU 582 3.597 -25.634 5.826 273 HG2 GLU 582 HG2 GLU 582 5.667 -24.656 6.710 274 HG3 GLU 582 HG1 GLU 582 4.889 -24.381 8.272 275 H ALA 583 HN ALA 583 0.754 -23.452 7.384 276 HA ALA 583 HA ALA 583 -0.849 -24.386 5.173 277 HB1 ALA 583 HB1 ALA 583 -1.721 -23.219 7.845 278 HB2 ALA 583 HB2 ALA 583 -1.423 -24.928 7.514 279 HB3 ALA 583 HB3 ALA 583 -2.749 -24.093 6.702 280 H VAL 584 HN VAL 584 -0.092 -21.258 6.604 281 HA VAL 584 HA VAL 584 -1.790 -19.848 4.626 282 HB VAL 584 HB VAL 584 -1.112 -18.616 7.333 283 HG11 VAL 584 HG11 VAL 584 -3.118 -17.245 6.888 284 HG12 VAL 584 HG12 VAL 584 -3.390 -18.122 5.380 285 HG13 VAL 584 HG13 VAL 584 -1.948 -17.122 5.569 286 HG21 VAL 584 HG21 VAL 584 -3.563 -20.341 6.815 287 HG22 VAL 584 HG22 VAL 584 -3.297 -19.339 8.245 288 HG23 VAL 584 HG23 VAL 584 -2.239 -20.713 7.922 289 HA PRO 585 HA PRO 585 2.598 -18.551 3.796 290 HB2 PRO 585 HB2 PRO 585 2.243 -17.911 1.161 291 HB3 PRO 585 HB1 PRO 585 2.416 -19.585 1.708 292 HG2 PRO 585 HG2 PRO 585 -0.112 -18.041 1.095 293 HG3 PRO 585 HG1 PRO 585 0.347 -19.678 0.574 294 HD2 PRO 585 HD2 PRO 585 -1.314 -19.262 2.680 295 HD3 PRO 585 HD1 PRO 585 -0.173 -20.626 2.642 296 H GLY 586 HN GLY 586 3.530 -16.525 3.811 297 HA2 GLY 586 HA2 GLY 586 3.807 -14.264 3.392 298 HA3 GLY 586 HA1 GLY 586 2.147 -14.155 2.840 299 H ARG 587 HN ARG 587 0.999 -15.298 5.265 300 HA ARG 587 HA ARG 587 0.750 -12.857 6.798 301 HB2 ARG 587 HB2 ARG 587 -0.512 -15.609 7.228 302 HB3 ARG 587 HB1 ARG 587 -1.018 -14.108 8.009 303 HG2 ARG 587 HG2 ARG 587 -1.161 -14.662 5.021 304 HG3 ARG 587 HG1 ARG 587 -2.510 -14.821 6.148 305 HD2 ARG 587 HD2 ARG 587 -2.464 -12.435 6.616 306 HD3 ARG 587 HD1 ARG 587 -1.010 -12.228 5.628 307 HE ARG 587 HE ARG 587 -3.019 -13.373 4.036 308 HH11 ARG 587 HH11 ARG 587 -2.394 -10.298 5.622 309 HH12 ARG 587 HH12 ARG 587 -3.243 -9.376 4.426 310 HH21 ARG 587 HH21 ARG 587 -4.094 -12.169 2.483 311 HH22 ARG 587 HH22 ARG 587 -4.213 -10.445 2.631 312 H THR 588 HN THR 588 1.281 -12.575 8.985 313 HA THR 588 HA THR 588 3.331 -14.365 10.128 314 HB THR 588 HB THR 588 3.581 -12.525 11.851 315 HG1 THR 588 HG1 THR 588 2.388 -10.496 10.750 316 HG21 THR 588 HG21 THR 588 4.638 -10.861 10.371 317 HG22 THR 588 HG22 THR 588 3.806 -11.542 8.971 318 HG23 THR 588 HG23 THR 588 5.021 -12.493 9.830 319 H LYS 589 HN LYS 589 3.192 -15.016 12.354 320 HA LYS 589 HA LYS 589 0.724 -16.352 12.861 321 HB2 LYS 589 HB2 LYS 589 3.401 -16.259 14.243 322 HB3 LYS 589 HB1 LYS 589 2.049 -17.029 15.053 323 HG2 LYS 589 HG2 LYS 589 3.616 -18.559 13.758 324 HG3 LYS 589 HG1 LYS 589 1.896 -18.766 13.454 325 HD2 LYS 589 HD2 LYS 589 3.455 -16.969 11.603 326 HD3 LYS 589 HD1 LYS 589 3.713 -18.704 11.470 327 HE2 LYS 589 HE2 LYS 589 1.392 -19.092 10.909 328 HE3 LYS 589 HE1 LYS 589 0.945 -17.440 11.330 329 HZ1 LYS 589 HZ1 LYS 589 1.107 -17.784 8.936 330 HZ2 LYS 589 HZ2 LYS 589 2.739 -18.193 9.096 331 HZ3 LYS 589 HZ3 LYS 589 2.223 -16.636 9.478 332 H LYS 590 HN LYS 590 2.278 -13.549 14.347 333 HA LYS 590 HA LYS 590 0.438 -13.265 16.487 334 HB2 LYS 590 HB2 LYS 590 1.303 -10.791 16.446 335 HB3 LYS 590 HB1 LYS 590 2.386 -12.091 16.902 336 HG2 LYS 590 HG2 LYS 590 3.713 -10.764 15.523 337 HG3 LYS 590 HG1 LYS 590 3.192 -12.052 14.452 338 HD2 LYS 590 HD2 LYS 590 3.087 -10.005 13.226 339 HD3 LYS 590 HD1 LYS 590 1.430 -10.514 13.540 340 HE2 LYS 590 HE2 LYS 590 1.218 -8.868 15.326 341 HE3 LYS 590 HE1 LYS 590 2.921 -8.424 15.167 342 HZ1 LYS 590 HZ1 LYS 590 2.481 -7.624 12.948 343 HZ2 LYS 590 HZ2 LYS 590 1.457 -6.855 14.051 344 HZ3 LYS 590 HZ3 LYS 590 0.859 -8.091 13.059 345 H ASP 591 HN ASP 591 0.341 -12.117 13.113 346 HA ASP 591 HA ASP 591 -2.140 -10.684 13.483 347 HB2 ASP 591 HB2 ASP 591 -0.545 -11.428 11.019 348 HB3 ASP 591 HB1 ASP 591 -2.190 -10.832 10.843 349 H CYS 592 HN CYS 592 -1.232 -13.970 12.750 350 HA CYS 592 HA CYS 592 -3.810 -14.912 11.891 351 HB2 CYS 592 HB2 CYS 592 -1.455 -16.462 13.060 352 HB3 CYS 592 HB1 CYS 592 -2.860 -17.190 12.284 353 HG CYS 592 HG CYS 592 -1.322 -14.943 10.364 354 H MET 593 HN MET 593 -2.169 -14.535 14.988 355 HA MET 593 HA MET 593 -4.093 -15.895 16.650 356 HB2 MET 593 HB2 MET 593 -1.884 -13.889 17.311 357 HB3 MET 593 HB1 MET 593 -2.881 -14.659 18.535 358 HG2 MET 593 HG2 MET 593 -1.967 -16.826 18.010 359 HG3 MET 593 HG1 MET 593 -1.126 -16.182 16.596 360 HE1 MET 593 HE1 MET 593 1.335 -16.805 17.092 361 HE2 MET 593 HE2 MET 593 0.687 -17.847 18.361 362 HE3 MET 593 HE3 MET 593 2.043 -16.774 18.709 363 H LYS 594 HN LYS 594 -3.459 -12.531 15.703 364 HA LYS 594 HA LYS 594 -5.512 -11.234 17.121 365 HB2 LYS 594 HB2 LYS 594 -3.789 -9.910 15.934 366 HB3 LYS 594 HB1 LYS 594 -4.359 -10.520 14.383 367 HG2 LYS 594 HG2 LYS 594 -6.562 -9.386 14.786 368 HG3 LYS 594 HG1 LYS 594 -5.912 -8.711 16.281 369 HD2 LYS 594 HD2 LYS 594 -4.808 -8.168 13.490 370 HD3 LYS 594 HD1 LYS 594 -5.928 -7.110 14.351 371 HE2 LYS 594 HE2 LYS 594 -4.171 -6.939 16.189 372 HE3 LYS 594 HE1 LYS 594 -3.068 -7.773 15.098 373 HZ1 LYS 594 HZ1 LYS 594 -3.389 -5.980 13.502 374 HZ2 LYS 594 HZ2 LYS 594 -2.779 -5.404 14.974 375 HZ3 LYS 594 HZ3 LYS 594 -4.406 -5.180 14.589 376 H ARG 595 HN ARG 595 -5.492 -12.726 13.883 377 HA ARG 595 HA ARG 595 -8.139 -11.892 13.256 378 HB2 ARG 595 HB2 ARG 595 -6.346 -12.440 11.527 379 HB3 ARG 595 HB1 ARG 595 -6.637 -14.145 11.860 380 HG2 ARG 595 HG2 ARG 595 -7.884 -13.436 9.873 381 HG3 ARG 595 HG1 ARG 595 -9.003 -13.888 11.166 382 HD2 ARG 595 HD2 ARG 595 -9.104 -11.397 11.761 383 HD3 ARG 595 HD1 ARG 595 -8.255 -11.091 10.243 384 HE ARG 595 HE ARG 595 -10.313 -12.482 9.344 385 HH11 ARG 595 HH11 ARG 595 -10.301 -9.877 11.694 386 HH12 ARG 595 HH12 ARG 595 -11.927 -9.390 11.341 387 HH21 ARG 595 HH21 ARG 595 -12.446 -11.844 8.882 388 HH22 ARG 595 HH22 ARG 595 -13.146 -10.509 9.742 389 H TYR 596 HN TYR 596 -6.766 -15.000 14.339 390 HA TYR 596 HA TYR 596 -9.107 -16.550 14.435 391 HB2 TYR 596 HB2 TYR 596 -7.109 -17.752 14.715 392 HB3 TYR 596 HB1 TYR 596 -6.477 -16.653 15.931 393 HD1 TYR 596 HD2 TYR 596 -9.418 -19.005 15.531 394 HD2 TYR 596 HD1 TYR 596 -6.357 -17.523 18.121 395 HE1 TYR 596 HE2 TYR 596 -10.163 -20.543 17.290 396 HE2 TYR 596 HE1 TYR 596 -7.107 -19.060 19.886 397 HH TYR 596 HH TYR 596 -9.312 -21.607 19.301 398 H LYS 597 HN LYS 597 -7.709 -14.349 16.861 399 HA LYS 597 HA LYS 597 -9.624 -14.669 18.882 400 HB2 LYS 597 HB2 LYS 597 -7.673 -13.427 19.466 401 HB3 LYS 597 HB1 LYS 597 -7.871 -12.308 18.127 402 HG2 LYS 597 HG2 LYS 597 -9.605 -11.115 19.199 403 HG3 LYS 597 HG1 LYS 597 -9.921 -12.415 20.348 404 HD2 LYS 597 HD2 LYS 597 -7.384 -10.735 20.307 405 HD3 LYS 597 HD1 LYS 597 -8.776 -10.418 21.347 406 HE2 LYS 597 HE2 LYS 597 -8.473 -12.734 22.324 407 HE3 LYS 597 HE1 LYS 597 -6.985 -12.880 21.385 408 HZ1 LYS 597 HZ1 LYS 597 -7.531 -10.825 23.454 409 HZ2 LYS 597 HZ2 LYS 597 -6.084 -11.009 22.596 410 HZ3 LYS 597 HZ3 LYS 597 -6.594 -12.211 23.667 411 H GLU 598 HN GLU 598 -9.576 -12.336 16.162 412 HA GLU 598 HA GLU 598 -11.984 -11.026 16.692 413 HB2 GLU 598 HB2 GLU 598 -10.625 -11.523 14.006 414 HB3 GLU 598 HB1 GLU 598 -11.969 -10.402 14.239 415 HG2 GLU 598 HG2 GLU 598 -10.597 -9.053 15.757 416 HG3 GLU 598 HG1 GLU 598 -9.256 -10.180 15.584 417 H LEU 599 HN LEU 599 -11.356 -13.995 14.814 418 HA LEU 599 HA LEU 599 -13.909 -14.391 13.671 419 HB2 LEU 599 HB2 LEU 599 -11.806 -16.468 14.415 420 HB3 LEU 599 HB1 LEU 599 -13.209 -16.792 13.402 421 HG LEU 599 HG LEU 599 -10.927 -14.902 12.702 422 HD11 LEU 599 HD11 LEU 599 -10.210 -17.234 12.640 423 HD12 LEU 599 HD12 LEU 599 -10.277 -16.547 11.019 424 HD13 LEU 599 HD13 LEU 599 -11.555 -17.640 11.566 425 HD21 LEU 599 HD21 LEU 599 -13.023 -14.126 11.710 426 HD22 LEU 599 HD22 LEU 599 -13.302 -15.720 11.002 427 HD23 LEU 599 HD23 LEU 599 -11.929 -14.743 10.472 428 H VAL 600 HN VAL 600 -12.460 -15.706 16.657 429 HA VAL 600 HA VAL 600 -14.786 -17.233 17.343 430 HB VAL 600 HB VAL 600 -12.471 -17.947 17.975 431 HG11 VAL 600 HG11 VAL 600 -11.502 -15.808 18.679 432 HG12 VAL 600 HG12 VAL 600 -11.353 -17.011 19.964 433 HG13 VAL 600 HG13 VAL 600 -12.586 -15.750 20.068 434 HG21 VAL 600 HG21 VAL 600 -13.049 -18.848 20.202 435 HG22 VAL 600 HG22 VAL 600 -14.414 -18.961 19.091 436 HG23 VAL 600 HG23 VAL 600 -14.389 -17.698 20.321 437 H GLU 601 HN GLU 601 -13.610 -13.996 18.237 438 HA GLU 601 HA GLU 601 -15.404 -13.584 20.420 439 HB2 GLU 601 HB2 GLU 601 -14.023 -11.499 18.671 440 HB3 GLU 601 HB1 GLU 601 -14.936 -11.133 20.134 441 HG2 GLU 601 HG2 GLU 601 -12.309 -12.612 19.899 442 HG3 GLU 601 HG1 GLU 601 -12.615 -11.072 20.687 443 H MET 602 HN MET 602 -15.573 -12.809 16.934 444 HA MET 602 HA MET 602 -17.987 -11.364 16.944 445 HB2 MET 602 HB2 MET 602 -16.678 -12.997 14.739 446 HB3 MET 602 HB1 MET 602 -18.141 -12.060 14.475 447 HG2 MET 602 HG2 MET 602 -16.904 -10.002 15.112 448 HG3 MET 602 HG1 MET 602 -15.435 -10.965 15.267 449 HE1 MET 602 HE1 MET 602 -15.833 -13.034 12.722 450 HE2 MET 602 HE2 MET 602 -14.310 -12.279 13.194 451 HE3 MET 602 HE3 MET 602 -14.880 -12.148 11.531 452 H VAL 603 HN VAL 603 -17.411 -14.875 16.413 453 HA VAL 603 HA VAL 603 -20.158 -15.476 15.954 454 HB VAL 603 HB VAL 603 -19.604 -17.858 16.152 455 HG11 VAL 603 HG11 VAL 603 -17.500 -16.315 14.583 456 HG12 VAL 603 HG12 VAL 603 -19.119 -16.748 14.021 457 HG13 VAL 603 HG13 VAL 603 -17.924 -18.011 14.330 458 HG21 VAL 603 HG21 VAL 603 -17.312 -18.656 16.678 459 HG22 VAL 603 HG22 VAL 603 -18.042 -17.829 18.057 460 HG23 VAL 603 HG23 VAL 603 -16.829 -17.005 17.076 461 H LYS 604 HN LYS 604 -18.148 -15.649 18.944 462 HA LYS 604 HA LYS 604 -20.145 -16.836 20.596 463 HB2 LYS 604 HB2 LYS 604 -17.723 -15.145 21.323 464 HB3 LYS 604 HB1 LYS 604 -18.768 -15.882 22.535 465 HG2 LYS 604 HG2 LYS 604 -18.192 -18.128 21.650 466 HG3 LYS 604 HG1 LYS 604 -17.115 -17.374 20.467 467 HD2 LYS 604 HD2 LYS 604 -16.832 -17.262 23.503 468 HD3 LYS 604 HD1 LYS 604 -15.833 -18.211 22.400 469 HE2 LYS 604 HE2 LYS 604 -14.982 -16.116 21.381 470 HE3 LYS 604 HE1 LYS 604 -15.994 -15.172 22.470 471 HZ1 LYS 604 HZ1 LYS 604 -13.837 -17.004 23.340 472 HZ2 LYS 604 HZ2 LYS 604 -14.745 -15.976 24.325 473 HZ3 LYS 604 HZ3 LYS 604 -13.681 -15.331 23.176 474 H ALA 605 HN ALA 605 -19.309 -13.472 19.894 475 HA ALA 605 HA ALA 605 -21.010 -12.250 21.838 476 HB1 ALA 605 HB1 ALA 605 -19.057 -11.078 20.897 477 HB2 ALA 605 HB2 ALA 605 -20.535 -10.143 20.663 478 HB3 ALA 605 HB3 ALA 605 -19.828 -11.040 19.311 479 H LYS 606 HN LYS 606 -21.431 -13.266 18.499 480 HA LYS 606 HA LYS 606 -23.972 -12.026 18.026 481 HB2 LYS 606 HB2 LYS 606 -22.494 -12.731 16.182 482 HB3 LYS 606 HB1 LYS 606 -22.624 -14.412 16.684 483 HG2 LYS 606 HG2 LYS 606 -24.960 -14.499 16.035 484 HG3 LYS 606 HG1 LYS 606 -24.989 -12.759 15.721 485 HD2 LYS 606 HD2 LYS 606 -23.302 -14.790 14.190 486 HD3 LYS 606 HD1 LYS 606 -24.837 -14.122 13.625 487 HE2 LYS 606 HE2 LYS 606 -23.834 -11.850 13.622 488 HE3 LYS 606 HE1 LYS 606 -22.304 -12.526 14.181 489 HZ1 LYS 606 HZ1 LYS 606 -22.170 -13.803 12.147 490 HZ2 LYS 606 HZ2 LYS 606 -22.294 -12.149 11.815 491 HZ3 LYS 606 HZ3 LYS 606 -23.637 -13.156 11.614 492 H LYS 607 HN LYS 607 -22.938 -15.267 19.046 493 HA LYS 607 HA LYS 607 -25.491 -16.486 19.260 494 HB2 LYS 607 HB2 LYS 607 -22.879 -17.155 20.685 495 HB3 LYS 607 HB1 LYS 607 -24.301 -18.200 20.667 496 HG2 LYS 607 HG2 LYS 607 -24.095 -18.599 18.318 497 HG3 LYS 607 HG1 LYS 607 -22.879 -17.329 18.136 498 HD2 LYS 607 HD2 LYS 607 -21.360 -18.695 19.636 499 HD3 LYS 607 HD1 LYS 607 -22.559 -19.994 19.572 500 HE2 LYS 607 HE2 LYS 607 -21.012 -18.835 17.217 501 HE3 LYS 607 HE1 LYS 607 -20.780 -20.419 17.958 502 HZ1 LYS 607 HZ1 LYS 607 -22.067 -20.571 15.925 503 HZ2 LYS 607 HZ2 LYS 607 -23.242 -19.526 16.553 504 HZ3 LYS 607 HZ3 LYS 607 -23.000 -21.042 17.253 505 H ALA 608 HN ALA 608 -23.497 -14.659 21.542 506 HA ALA 608 HA ALA 608 -25.109 -15.172 23.872 507 HB1 ALA 608 HB1 ALA 608 -22.908 -13.114 23.447 508 HB2 ALA 608 HB2 ALA 608 -22.690 -14.744 24.081 509 HB3 ALA 608 HB3 ALA 608 -23.618 -13.566 25.007 510 H ALA 609 HN ALA 609 -24.788 -12.554 21.509 511 HA ALA 609 HA ALA 609 -26.525 -10.660 22.716 512 HB1 ALA 609 HB1 ALA 609 -26.661 -9.618 20.485 513 HB2 ALA 609 HB2 ALA 609 -25.926 -11.055 19.761 514 HB3 ALA 609 HB3 ALA 609 -24.998 -10.056 20.879 515 H GLN 610 HN GLN 610 -27.068 -13.412 20.579 516 HA GLN 610 HA GLN 610 -29.919 -12.977 20.334 517 HB2 GLN 610 HB2 GLN 610 -28.608 -14.040 18.510 518 HB3 GLN 610 HB1 GLN 610 -28.230 -15.399 19.564 519 HG2 GLN 610 HG2 GLN 610 -30.559 -16.073 19.622 520 HG3 GLN 610 HG1 GLN 610 -31.049 -14.619 18.754 521 HE21 GLN 610 HE21 GLN 610 -32.048 -15.837 17.148 522 HE22 GLN 610 HE22 GLN 610 -31.165 -16.726 15.958 523 H GLU 611 HN GLU 611 -27.765 -14.849 22.395 524 HA GLU 611 HA GLU 611 -29.584 -16.793 23.385 525 HB2 GLU 611 HB2 GLU 611 -27.071 -16.943 23.511 526 HB3 GLU 611 HB1 GLU 611 -27.077 -15.689 24.740 527 HG2 GLU 611 HG2 GLU 611 -26.806 -17.792 25.841 528 HG3 GLU 611 HG1 GLU 611 -28.426 -17.201 26.209 529 H GLN 612 HN GLN 612 -28.512 -13.646 24.669 530 HA GLN 612 HA GLN 612 -29.877 -13.746 27.149 531 HB2 GLN 612 HB2 GLN 612 -29.406 -11.327 27.317 532 HB3 GLN 612 HB1 GLN 612 -27.989 -12.217 26.773 533 HG2 GLN 612 HG2 GLN 612 -28.300 -11.445 24.492 534 HG3 GLN 612 HG1 GLN 612 -29.841 -10.700 24.904 535 HE21 GLN 612 HE21 GLN 612 -27.512 -9.467 23.705 536 HE22 GLN 612 HE22 GLN 612 -27.043 -8.176 24.749 537 H VAL 613 HN VAL 613 -30.793 -12.505 23.978 538 HA VAL 613 HA VAL 613 -33.265 -11.270 24.747 539 HB VAL 613 HB VAL 613 -32.286 -12.162 21.994 540 HG11 VAL 613 HG11 VAL 613 -33.965 -10.590 21.064 541 HG12 VAL 613 HG12 VAL 613 -34.563 -10.259 22.691 542 HG13 VAL 613 HG13 VAL 613 -34.737 -11.875 22.000 543 HG21 VAL 613 HG21 VAL 613 -31.653 -9.796 21.647 544 HG22 VAL 613 HG22 VAL 613 -30.777 -10.498 23.008 545 HG23 VAL 613 HG23 VAL 613 -32.140 -9.415 23.303 546 H LEU 614 HN LEU 614 -32.321 -14.336 23.276 547 HA LEU 614 HA LEU 614 -34.842 -15.435 22.695 548 HB2 LEU 614 HB2 LEU 614 -32.636 -16.222 21.767 549 HB3 LEU 614 HB1 LEU 614 -32.242 -16.900 23.333 550 HG LEU 614 HG LEU 614 -34.144 -18.515 23.098 551 HD11 LEU 614 HD11 LEU 614 -35.257 -18.796 20.922 552 HD12 LEU 614 HD12 LEU 614 -34.460 -17.340 20.318 553 HD13 LEU 614 HD13 LEU 614 -35.623 -17.228 21.644 554 HD21 LEU 614 HD21 LEU 614 -33.094 -19.949 21.390 555 HD22 LEU 614 HD22 LEU 614 -31.884 -19.202 22.432 556 HD23 LEU 614 HD23 LEU 614 -32.153 -18.576 20.802 557 H ASN 615 HN ASN 615 -32.793 -15.539 25.558 558 HA ASN 615 HA ASN 615 -34.120 -17.432 27.134 559 HB2 ASN 615 HB2 ASN 615 -31.872 -16.482 27.641 560 HB3 ASN 615 HB1 ASN 615 -32.618 -14.933 28.027 561 HD21 ASN 615 HD21 ASN 615 -32.227 -18.261 29.053 562 HD22 ASN 615 HD22 ASN 615 -32.712 -18.019 30.694 563 H ALA 616 HN ALA 616 -34.511 -13.885 27.111 564 HA ALA 616 HA ALA 616 -36.716 -13.788 28.939 565 HB1 ALA 616 HB1 ALA 616 -36.822 -11.399 28.338 566 HB2 ALA 616 HB2 ALA 616 -35.722 -11.688 26.984 567 HB3 ALA 616 HB3 ALA 616 -35.158 -11.900 28.642 568 H SER 617 HN SER 617 -36.430 -14.069 25.470 569 HA SER 617 HA SER 617 -39.126 -13.287 24.804 570 HB2 SER 617 HB2 SER 617 -37.224 -12.884 23.261 571 HB3 SER 617 HB1 SER 617 -36.983 -14.622 23.099 572 HG SER 617 HG SER 617 -38.500 -14.649 21.672 573 H ARG 618 HN ARG 618 -37.457 -16.295 25.476 574 HA ARG 618 HA ARG 618 -39.690 -18.027 24.809 575 HB2 ARG 618 HB2 ARG 618 -37.139 -18.528 26.408 576 HB3 ARG 618 HB1 ARG 618 -38.355 -19.766 26.098 577 HG2 ARG 618 HG2 ARG 618 -36.764 -18.322 23.944 578 HG3 ARG 618 HG1 ARG 618 -36.374 -19.912 24.602 579 HD2 ARG 618 HD2 ARG 618 -38.550 -20.771 23.768 580 HD3 ARG 618 HD1 ARG 618 -38.908 -19.178 23.098 581 HE ARG 618 HE ARG 618 -37.373 -19.536 21.396 582 HH11 ARG 618 HH11 ARG 618 -37.219 -22.245 23.647 583 HH12 ARG 618 HH12 ARG 618 -36.339 -23.255 22.549 584 HH21 ARG 618 HH21 ARG 618 -36.208 -20.878 19.977 585 HH22 ARG 618 HH22 ARG 618 -35.767 -22.479 20.475 586 H ALA 619 HN ALA 619 -38.901 -15.921 27.347 587 HA ALA 619 HA ALA 619 -39.609 -15.448 29.425 588 HB1 ALA 619 HB1 ALA 619 -41.871 -15.508 28.438 589 HB2 ALA 619 HB2 ALA 619 -41.894 -16.080 30.105 590 HB3 ALA 619 HB3 ALA 619 -41.984 -17.237 28.774 591 H LYS 620 HN LYS 620 -37.891 -17.738 28.863 592 HA LYS 620 HA LYS 620 -38.328 -19.451 31.244 593 HB2 LYS 620 HB2 LYS 620 -38.441 -20.726 29.113 594 HB3 LYS 620 HB1 LYS 620 -36.870 -20.088 28.629 595 HG2 LYS 620 HG2 LYS 620 -35.874 -21.222 30.663 596 HG3 LYS 620 HG1 LYS 620 -37.448 -21.980 30.935 597 HD2 LYS 620 HD2 LYS 620 -37.283 -23.099 28.731 598 HD3 LYS 620 HD1 LYS 620 -35.719 -22.320 28.450 599 HE2 LYS 620 HE2 LYS 620 -36.354 -24.300 30.674 600 HE3 LYS 620 HE1 LYS 620 -35.416 -24.638 29.218 601 HZ1 LYS 620 HZ1 LYS 620 -34.660 -22.656 31.312 602 HZ2 LYS 620 HZ2 LYS 620 -33.749 -23.062 29.944 603 HZ3 LYS 620 HZ3 LYS 620 -34.014 -24.212 31.156 604 H LYS 621 HN LYS 621 -36.769 -19.347 32.760 605 HA LYS 621 HA LYS 621 -34.405 -17.705 32.396 606 HB2 LYS 621 HB2 LYS 621 -34.003 -18.162 34.822 607 HB3 LYS 621 HB1 LYS 621 -35.611 -17.524 34.508 608 HG2 LYS 621 HG2 LYS 621 -36.520 -19.843 34.697 609 HG3 LYS 621 HG1 LYS 621 -34.904 -20.411 35.125 610 HD2 LYS 621 HD2 LYS 621 -36.492 -18.340 36.714 611 HD3 LYS 621 HD1 LYS 621 -36.425 -20.057 37.099 612 HE2 LYS 621 HE2 LYS 621 -34.882 -19.013 38.569 613 HE3 LYS 621 HE1 LYS 621 -33.889 -19.763 37.325 614 HZ1 LYS 621 HZ1 LYS 621 -34.660 -16.898 37.346 615 HZ2 LYS 621 HZ2 LYS 621 -33.561 -17.649 36.299 616 HZ3 LYS 621 HZ3 LYS 621 -33.199 -17.501 37.940 Start of MODEL 17 1 H PHE 551 HN PHE 551 -0.062 -3.246 2.297 2 HA PHE 551 HA PHE 551 -0.308 -5.938 3.396 3 HB2 PHE 551 HB2 PHE 551 0.882 -4.619 5.189 4 HB3 PHE 551 HB1 PHE 551 -0.491 -3.523 5.259 5 HD1 PHE 551 HD2 PHE 551 0.647 -6.987 5.991 6 HD2 PHE 551 HD1 PHE 551 -2.543 -4.174 6.425 7 HE1 PHE 551 HE2 PHE 551 -0.431 -8.457 7.638 8 HE2 PHE 551 HE1 PHE 551 -3.618 -5.651 8.072 9 HZ PHE 551 HZ PHE 551 -2.563 -7.794 8.676 10 H THR 552 HN THR 552 -2.306 -6.595 3.174 11 HA THR 552 HA THR 552 -4.612 -4.734 3.046 12 HB THR 552 HB THR 552 -5.686 -6.508 1.531 13 HG1 THR 552 HG1 THR 552 -4.292 -8.038 0.568 14 HG21 THR 552 HG21 THR 552 -3.165 -5.215 0.420 15 HG22 THR 552 HG22 THR 552 -4.751 -4.446 0.532 16 HG23 THR 552 HG23 THR 552 -4.515 -5.831 -0.538 17 HA PRO 553 HA PRO 553 -6.423 -7.404 6.294 18 HB2 PRO 553 HB2 PRO 553 -9.090 -7.523 5.491 19 HB3 PRO 553 HB1 PRO 553 -8.371 -6.146 6.337 20 HG2 PRO 553 HG2 PRO 553 -8.835 -6.521 3.381 21 HG3 PRO 553 HG1 PRO 553 -9.165 -5.092 4.385 22 HD2 PRO 553 HD2 PRO 553 -6.974 -5.221 2.833 23 HD3 PRO 553 HD1 PRO 553 -6.899 -4.451 4.435 24 H TRP 554 HN TRP 554 -7.532 -9.504 6.579 25 HA TRP 554 HA TRP 554 -6.475 -11.521 4.912 26 HB2 TRP 554 HB2 TRP 554 -8.501 -11.568 7.176 27 HB3 TRP 554 HB1 TRP 554 -8.007 -13.037 6.343 28 HD1 TRP 554 HD1 TRP 554 -6.215 -10.124 8.269 29 HE1 TRP 554 HE1 TRP 554 -4.316 -11.183 9.650 30 HE3 TRP 554 HE3 TRP 554 -6.729 -14.984 6.768 31 HZ2 TRP 554 HZ2 TRP 554 -3.159 -13.731 10.016 32 HZ3 TRP 554 HZ3 TRP 554 -5.190 -16.673 7.680 33 HH2 TRP 554 HH2 TRP 554 -3.440 -16.060 9.276 34 H THR 555 HN THR 555 -7.203 -12.328 3.084 35 HA THR 555 HA THR 555 -9.893 -11.779 2.091 36 HB THR 555 HB THR 555 -9.087 -12.831 -0.025 37 HG1 THR 555 HG1 THR 555 -6.474 -12.969 1.020 38 HG21 THR 555 HG21 THR 555 -8.700 -10.417 0.310 39 HG22 THR 555 HG22 THR 555 -7.392 -11.145 -0.624 40 HG23 THR 555 HG23 THR 555 -7.150 -10.769 1.082 41 H THR 556 HN THR 556 -11.031 -13.668 0.964 42 HA THR 556 HA THR 556 -11.922 -15.562 2.777 43 HB THR 556 HB THR 556 -11.971 -15.811 -0.265 44 HG1 THR 556 HG1 THR 556 -13.224 -14.141 -0.128 45 HG21 THR 556 HG21 THR 556 -13.805 -17.063 1.820 46 HG22 THR 556 HG22 THR 556 -12.633 -17.933 0.821 47 HG23 THR 556 HG23 THR 556 -14.027 -17.148 0.071 48 H GLU 557 HN GLU 557 -9.409 -15.924 0.256 49 HA GLU 557 HA GLU 557 -9.068 -18.737 0.470 50 HB2 GLU 557 HB2 GLU 557 -7.011 -18.426 -0.854 51 HB3 GLU 557 HB1 GLU 557 -8.353 -17.511 -1.529 52 HG2 GLU 557 HG2 GLU 557 -7.460 -15.444 -0.549 53 HG3 GLU 557 HG1 GLU 557 -6.128 -16.342 0.172 54 H GLU 558 HN GLU 558 -7.497 -16.024 2.100 55 HA GLU 558 HA GLU 558 -5.445 -17.581 3.407 56 HB2 GLU 558 HB2 GLU 558 -6.412 -14.746 4.011 57 HB3 GLU 558 HB1 GLU 558 -4.894 -15.472 4.555 58 HG2 GLU 558 HG2 GLU 558 -4.144 -15.653 2.222 59 HG3 GLU 558 HG1 GLU 558 -5.657 -14.931 1.671 60 H GLN 559 HN GLN 559 -8.640 -16.380 4.180 61 HA GLN 559 HA GLN 559 -8.650 -16.797 6.984 62 HB2 GLN 559 HB2 GLN 559 -10.822 -16.367 4.920 63 HB3 GLN 559 HB1 GLN 559 -11.263 -16.831 6.559 64 HG2 GLN 559 HG2 GLN 559 -9.501 -14.448 6.032 65 HG3 GLN 559 HG1 GLN 559 -11.254 -14.339 5.941 66 HE21 GLN 559 HE21 GLN 559 -9.327 -16.224 8.355 67 HE22 GLN 559 HE22 GLN 559 -9.886 -15.323 9.706 68 H LYS 560 HN LYS 560 -10.068 -18.727 4.318 69 HA LYS 560 HA LYS 560 -10.968 -20.875 5.896 70 HB2 LYS 560 HB2 LYS 560 -11.048 -22.208 3.796 71 HB3 LYS 560 HB1 LYS 560 -11.795 -20.626 3.612 72 HG2 LYS 560 HG2 LYS 560 -10.023 -19.801 2.287 73 HG3 LYS 560 HG1 LYS 560 -8.917 -21.082 2.784 74 HD2 LYS 560 HD2 LYS 560 -11.382 -21.488 1.034 75 HD3 LYS 560 HD1 LYS 560 -9.726 -21.331 0.433 76 HE2 LYS 560 HE2 LYS 560 -9.157 -23.355 1.912 77 HE3 LYS 560 HE1 LYS 560 -10.897 -23.561 2.125 78 HZ1 LYS 560 HZ1 LYS 560 -9.955 -24.934 0.363 79 HZ2 LYS 560 HZ2 LYS 560 -9.491 -23.550 -0.479 80 HZ3 LYS 560 HZ3 LYS 560 -11.128 -23.874 -0.228 81 H LEU 561 HN LEU 561 -7.774 -20.270 4.426 82 HA LEU 561 HA LEU 561 -6.575 -22.795 4.991 83 HB2 LEU 561 HB2 LEU 561 -5.398 -20.034 4.538 84 HB3 LEU 561 HB1 LEU 561 -4.378 -21.436 4.833 85 HG LEU 561 HG LEU 561 -6.296 -21.136 2.483 86 HD11 LEU 561 HD11 LEU 561 -3.267 -20.881 2.543 87 HD12 LEU 561 HD12 LEU 561 -4.435 -19.584 2.272 88 HD13 LEU 561 HD13 LEU 561 -4.279 -20.881 1.094 89 HD21 LEU 561 HD21 LEU 561 -5.219 -23.169 1.590 90 HD22 LEU 561 HD22 LEU 561 -6.047 -23.477 3.115 91 HD23 LEU 561 HD23 LEU 561 -4.284 -23.336 3.082 92 H LEU 562 HN LEU 562 -6.809 -19.766 6.845 93 HA LEU 562 HA LEU 562 -5.171 -20.498 9.043 94 HB2 LEU 562 HB2 LEU 562 -5.825 -18.156 8.634 95 HB3 LEU 562 HB1 LEU 562 -7.512 -18.557 8.893 96 HG LEU 562 HG LEU 562 -6.978 -19.098 11.297 97 HD11 LEU 562 HD11 LEU 562 -4.856 -18.356 12.279 98 HD12 LEU 562 HD12 LEU 562 -4.228 -17.979 10.671 99 HD13 LEU 562 HD13 LEU 562 -4.615 -19.648 11.103 100 HD21 LEU 562 HD21 LEU 562 -6.812 -16.779 12.059 101 HD22 LEU 562 HD22 LEU 562 -7.917 -16.919 10.694 102 HD23 LEU 562 HD23 LEU 562 -6.295 -16.266 10.451 103 H GLU 563 HN GLU 563 -8.672 -20.684 8.495 104 HA GLU 563 HA GLU 563 -9.411 -21.570 11.084 105 HB2 GLU 563 HB2 GLU 563 -10.995 -21.584 8.477 106 HB3 GLU 563 HB1 GLU 563 -11.677 -21.882 10.081 107 HG2 GLU 563 HG2 GLU 563 -11.025 -19.630 10.800 108 HG3 GLU 563 HG1 GLU 563 -10.295 -19.325 9.225 109 H GLN 564 HN GLN 564 -8.954 -23.295 7.988 110 HA GLN 564 HA GLN 564 -9.762 -25.859 8.952 111 HB2 GLN 564 HB2 GLN 564 -8.897 -26.792 6.912 112 HB3 GLN 564 HB1 GLN 564 -9.615 -25.238 6.499 113 HG2 GLN 564 HG2 GLN 564 -7.316 -24.235 6.476 114 HG3 GLN 564 HG1 GLN 564 -6.643 -25.834 6.787 115 HE21 GLN 564 HE21 GLN 564 -5.479 -25.861 4.881 116 HE22 GLN 564 HE22 GLN 564 -6.211 -26.008 3.327 117 H ALA 565 HN ALA 565 -6.746 -24.054 9.025 118 HA ALA 565 HA ALA 565 -5.058 -26.236 9.891 119 HB1 ALA 565 HB1 ALA 565 -4.596 -23.230 9.981 120 HB2 ALA 565 HB2 ALA 565 -4.150 -24.303 8.654 121 HB3 ALA 565 HB3 ALA 565 -3.361 -24.476 10.221 122 H LEU 566 HN LEU 566 -7.021 -23.769 11.476 123 HA LEU 566 HA LEU 566 -6.130 -24.181 14.161 124 HB2 LEU 566 HB2 LEU 566 -8.775 -23.159 13.058 125 HB3 LEU 566 HB1 LEU 566 -8.347 -23.118 14.763 126 HG LEU 566 HG LEU 566 -6.756 -21.663 12.611 127 HD11 LEU 566 HD11 LEU 566 -8.935 -20.513 14.381 128 HD12 LEU 566 HD12 LEU 566 -8.999 -20.730 12.631 129 HD13 LEU 566 HD13 LEU 566 -7.858 -19.586 13.329 130 HD21 LEU 566 HD21 LEU 566 -6.716 -21.387 15.639 131 HD22 LEU 566 HD22 LEU 566 -5.768 -20.428 14.497 132 HD23 LEU 566 HD23 LEU 566 -5.475 -22.158 14.645 133 H LYS 567 HN LYS 567 -8.381 -25.807 12.032 134 HA LYS 567 HA LYS 567 -9.582 -27.507 14.059 135 HB2 LYS 567 HB2 LYS 567 -9.773 -27.534 11.014 136 HB3 LYS 567 HB1 LYS 567 -10.756 -28.532 12.089 137 HG2 LYS 567 HG2 LYS 567 -11.909 -26.621 12.960 138 HG3 LYS 567 HG1 LYS 567 -10.760 -25.503 12.222 139 HD2 LYS 567 HD2 LYS 567 -12.818 -25.475 10.930 140 HD3 LYS 567 HD1 LYS 567 -11.547 -26.226 9.962 141 HE2 LYS 567 HE2 LYS 567 -13.602 -27.494 9.697 142 HE3 LYS 567 HE1 LYS 567 -12.455 -28.473 10.606 143 HZ1 LYS 567 HZ1 LYS 567 -14.695 -26.907 11.759 144 HZ2 LYS 567 HZ2 LYS 567 -13.601 -27.838 12.637 145 HZ3 LYS 567 HZ3 LYS 567 -14.659 -28.582 11.557 146 H THR 568 HN THR 568 -7.081 -27.776 11.551 147 HA THR 568 HA THR 568 -6.726 -30.621 11.746 148 HB THR 568 HB THR 568 -4.909 -28.500 10.508 149 HG1 THR 568 HG1 THR 568 -7.205 -29.135 9.712 150 HG21 THR 568 HG21 THR 568 -3.884 -30.373 9.244 151 HG22 THR 568 HG22 THR 568 -4.835 -31.532 10.177 152 HG23 THR 568 HG23 THR 568 -3.604 -30.548 10.979 153 H TYR 569 HN TYR 569 -4.803 -27.814 12.804 154 HA TYR 569 HA TYR 569 -3.207 -29.471 14.641 155 HB2 TYR 569 HB2 TYR 569 -2.818 -26.483 14.182 156 HB3 TYR 569 HB1 TYR 569 -1.640 -27.664 14.756 157 HD1 TYR 569 HD2 TYR 569 -1.277 -29.708 12.942 158 HD2 TYR 569 HD1 TYR 569 -2.487 -25.710 12.015 159 HE1 TYR 569 HE2 TYR 569 -0.508 -30.001 10.624 160 HE2 TYR 569 HE1 TYR 569 -1.728 -26.018 9.697 161 HH TYR 569 HH TYR 569 -0.897 -29.091 8.440 162 HA PRO 570 HA PRO 570 -6.344 -28.041 17.710 163 HB2 PRO 570 HB2 PRO 570 -5.352 -29.551 19.820 164 HB3 PRO 570 HB1 PRO 570 -6.452 -30.189 18.590 165 HG2 PRO 570 HG2 PRO 570 -3.447 -30.403 18.742 166 HG3 PRO 570 HG1 PRO 570 -4.635 -31.671 18.363 167 HD2 PRO 570 HD2 PRO 570 -3.248 -30.441 16.409 168 HD3 PRO 570 HD1 PRO 570 -4.953 -30.888 16.163 169 H VAL 571 HN VAL 571 -6.164 -26.945 19.845 170 HA VAL 571 HA VAL 571 -4.197 -24.916 19.868 171 HB VAL 571 HB VAL 571 -6.428 -24.583 20.839 172 HG11 VAL 571 HG11 VAL 571 -5.592 -26.481 23.073 173 HG12 VAL 571 HG12 VAL 571 -6.819 -26.801 21.847 174 HG13 VAL 571 HG13 VAL 571 -7.079 -25.528 23.041 175 HG21 VAL 571 HG21 VAL 571 -4.579 -23.100 21.549 176 HG22 VAL 571 HG22 VAL 571 -4.234 -24.172 22.905 177 HG23 VAL 571 HG23 VAL 571 -5.766 -23.301 22.845 178 H ASN 572 HN ASN 572 -4.271 -28.089 21.253 179 HA ASN 572 HA ASN 572 -2.172 -27.743 23.204 180 HB2 ASN 572 HB2 ASN 572 -3.508 -30.263 22.116 181 HB3 ASN 572 HB1 ASN 572 -2.343 -30.258 23.440 182 HD21 ASN 572 HD21 ASN 572 -2.938 -29.277 25.432 183 HD22 ASN 572 HD22 ASN 572 -4.596 -29.061 25.852 184 H THR 573 HN THR 573 -1.884 -27.574 19.978 185 HA THR 573 HA THR 573 0.532 -29.197 19.652 186 HB THR 573 HB THR 573 -0.677 -27.195 17.669 187 HG1 THR 573 HG1 THR 573 -2.217 -28.657 17.661 188 HG21 THR 573 HG21 THR 573 1.243 -29.520 17.239 189 HG22 THR 573 HG22 THR 573 1.686 -27.811 17.201 190 HG23 THR 573 HG23 THR 573 0.595 -28.468 15.975 191 HA PRO 574 HA PRO 574 2.913 -25.597 21.277 192 HB2 PRO 574 HB2 PRO 574 5.283 -27.317 20.623 193 HB3 PRO 574 HB1 PRO 574 4.815 -26.592 22.168 194 HG2 PRO 574 HG2 PRO 574 4.562 -29.225 21.761 195 HG3 PRO 574 HG1 PRO 574 3.334 -28.333 22.687 196 HD2 PRO 574 HD2 PRO 574 3.240 -29.230 19.797 197 HD3 PRO 574 HD1 PRO 574 1.986 -29.354 21.057 198 H GLU 575 HN GLU 575 3.279 -27.216 18.213 199 HA GLU 575 HA GLU 575 4.732 -24.941 17.002 200 HB2 GLU 575 HB2 GLU 575 4.336 -27.534 15.492 201 HB3 GLU 575 HB1 GLU 575 5.657 -26.384 15.399 202 HG2 GLU 575 HG2 GLU 575 6.650 -28.267 16.343 203 HG3 GLU 575 HG1 GLU 575 6.319 -27.258 17.749 204 H ARG 576 HN ARG 576 1.781 -25.116 17.640 205 HA ARG 576 HA ARG 576 0.145 -25.835 15.502 206 HB2 ARG 576 HB2 ARG 576 -0.641 -25.094 17.853 207 HB3 ARG 576 HB1 ARG 576 -0.434 -23.434 17.299 208 HG2 ARG 576 HG2 ARG 576 -2.104 -23.940 15.443 209 HG3 ARG 576 HG1 ARG 576 -2.383 -25.503 16.218 210 HD2 ARG 576 HD2 ARG 576 -2.966 -24.182 18.335 211 HD3 ARG 576 HD1 ARG 576 -2.975 -22.745 17.303 212 HE ARG 576 HE ARG 576 -4.632 -24.728 16.159 213 HH11 ARG 576 HH11 ARG 576 -4.611 -22.491 18.868 214 HH12 ARG 576 HH12 ARG 576 -6.339 -22.485 19.025 215 HH21 ARG 576 HH21 ARG 576 -6.874 -24.745 16.400 216 HH22 ARG 576 HH22 ARG 576 -7.623 -23.772 17.621 217 H TRP 577 HN TRP 577 1.331 -22.578 16.288 218 HA TRP 577 HA TRP 577 0.226 -21.341 13.957 219 HB2 TRP 577 HB2 TRP 577 2.263 -20.239 15.947 220 HB3 TRP 577 HB1 TRP 577 1.291 -19.296 14.817 221 HD1 TRP 577 HD1 TRP 577 1.183 -20.730 18.289 222 HE1 TRP 577 HE1 TRP 577 -1.134 -20.337 19.331 223 HE3 TRP 577 HE3 TRP 577 -1.358 -19.194 14.116 224 HZ2 TRP 577 HZ2 TRP 577 -3.692 -19.511 18.511 225 HZ3 TRP 577 HZ3 TRP 577 -3.743 -18.624 14.333 226 HH2 TRP 577 HH2 TRP 577 -4.880 -18.783 16.488 227 H LYS 578 HN LYS 578 3.282 -22.836 14.661 228 HA LYS 578 HA LYS 578 4.878 -21.732 12.548 229 HB2 LYS 578 HB2 LYS 578 5.094 -24.324 14.149 230 HB3 LYS 578 HB1 LYS 578 6.222 -23.941 12.859 231 HG2 LYS 578 HG2 LYS 578 7.225 -23.387 14.982 232 HG3 LYS 578 HG1 LYS 578 6.928 -21.898 14.078 233 HD2 LYS 578 HD2 LYS 578 4.869 -21.518 15.449 234 HD3 LYS 578 HD1 LYS 578 5.232 -22.978 16.378 235 HE2 LYS 578 HE2 LYS 578 5.936 -20.947 17.575 236 HE3 LYS 578 HE1 LYS 578 7.332 -21.946 17.170 237 HZ1 LYS 578 HZ1 LYS 578 6.431 -19.544 15.675 238 HZ2 LYS 578 HZ2 LYS 578 7.778 -20.490 15.297 239 HZ3 LYS 578 HZ3 LYS 578 7.745 -19.609 16.735 240 H LYS 579 HN LYS 579 2.786 -24.545 12.851 241 HA LYS 579 HA LYS 579 3.174 -25.526 10.169 242 HB2 LYS 579 HB2 LYS 579 1.147 -26.220 12.338 243 HB3 LYS 579 HB1 LYS 579 1.334 -27.117 10.829 244 HG2 LYS 579 HG2 LYS 579 3.544 -27.853 11.439 245 HG3 LYS 579 HG1 LYS 579 3.589 -26.753 12.823 246 HD2 LYS 579 HD2 LYS 579 1.872 -28.043 13.972 247 HD3 LYS 579 HD1 LYS 579 1.655 -29.099 12.570 248 HE2 LYS 579 HE2 LYS 579 3.936 -29.975 12.851 249 HE3 LYS 579 HE1 LYS 579 4.222 -28.856 14.184 250 HZ1 LYS 579 HZ1 LYS 579 2.607 -29.965 15.491 251 HZ2 LYS 579 HZ2 LYS 579 3.667 -31.128 14.877 252 HZ3 LYS 579 HZ3 LYS 579 2.131 -30.943 14.198 253 H ILE 580 HN ILE 580 0.941 -23.373 11.795 254 HA ILE 580 HA ILE 580 -0.958 -23.099 9.668 255 HB ILE 580 HB ILE 580 -0.326 -21.355 12.081 256 HG12 ILE 580 HG12 ILE 580 -2.671 -23.195 11.458 257 HG13 ILE 580 HG11 ILE 580 -1.356 -23.559 12.560 258 HG21 ILE 580 HG21 ILE 580 -2.603 -20.904 10.122 259 HG22 ILE 580 HG22 ILE 580 -1.215 -19.842 10.362 260 HG23 ILE 580 HG23 ILE 580 -2.386 -20.063 11.661 261 HD11 ILE 580 HD11 ILE 580 -2.115 -21.742 14.026 262 HD12 ILE 580 HD12 ILE 580 -3.350 -22.973 13.764 263 HD13 ILE 580 HD13 ILE 580 -3.456 -21.428 12.919 264 H ALA 581 HN ALA 581 2.171 -21.614 10.380 265 HA ALA 581 HA ALA 581 2.193 -19.568 8.427 266 HB1 ALA 581 HB1 ALA 581 4.544 -21.285 9.322 267 HB2 ALA 581 HB2 ALA 581 3.967 -19.837 10.144 268 HB3 ALA 581 HB3 ALA 581 4.645 -19.712 8.523 269 H GLU 582 HN GLU 582 2.733 -23.041 8.164 270 HA GLU 582 HA GLU 582 3.562 -23.062 5.410 271 HB2 GLU 582 HB2 GLU 582 2.547 -25.350 7.159 272 HB3 GLU 582 HB1 GLU 582 3.416 -25.522 5.628 273 HG2 GLU 582 HG2 GLU 582 5.403 -24.445 6.671 274 HG3 GLU 582 HG1 GLU 582 4.527 -24.334 8.199 275 H ALA 583 HN ALA 583 0.534 -23.411 7.167 276 HA ALA 583 HA ALA 583 -1.069 -24.251 4.932 277 HB1 ALA 583 HB1 ALA 583 -2.976 -23.885 6.450 278 HB2 ALA 583 HB2 ALA 583 -1.910 -23.092 7.615 279 HB3 ALA 583 HB3 ALA 583 -1.696 -24.806 7.243 280 H VAL 584 HN VAL 584 -0.251 -21.151 6.426 281 HA VAL 584 HA VAL 584 -1.911 -19.648 4.482 282 HB VAL 584 HB VAL 584 -1.239 -18.621 7.283 283 HG11 VAL 584 HG11 VAL 584 -3.049 -16.984 6.815 284 HG12 VAL 584 HG12 VAL 584 -3.294 -17.710 5.225 285 HG13 VAL 584 HG13 VAL 584 -1.769 -16.899 5.598 286 HG21 VAL 584 HG21 VAL 584 -2.618 -20.643 7.563 287 HG22 VAL 584 HG22 VAL 584 -3.821 -19.988 6.451 288 HG23 VAL 584 HG23 VAL 584 -3.529 -19.192 8.000 289 HA PRO 585 HA PRO 585 2.486 -18.379 3.802 290 HB2 PRO 585 HB2 PRO 585 2.303 -17.791 1.163 291 HB3 PRO 585 HB1 PRO 585 2.331 -19.467 1.736 292 HG2 PRO 585 HG2 PRO 585 -0.034 -17.783 0.913 293 HG3 PRO 585 HG1 PRO 585 0.322 -19.473 0.506 294 HD2 PRO 585 HD2 PRO 585 -1.414 -18.728 2.523 295 HD3 PRO 585 HD1 PRO 585 -0.518 -20.266 2.511 296 H GLY 586 HN GLY 586 3.390 -16.403 4.040 297 HA2 GLY 586 HA2 GLY 586 3.815 -14.156 3.605 298 HA3 GLY 586 HA1 GLY 586 2.210 -13.976 2.914 299 H ARG 587 HN ARG 587 0.770 -15.048 5.172 300 HA ARG 587 HA ARG 587 0.613 -12.724 6.852 301 HB2 ARG 587 HB2 ARG 587 -0.793 -15.426 7.010 302 HB3 ARG 587 HB1 ARG 587 -1.138 -14.075 8.090 303 HG2 ARG 587 HG2 ARG 587 -1.507 -14.037 5.071 304 HG3 ARG 587 HG1 ARG 587 -2.790 -14.294 6.263 305 HD2 ARG 587 HD2 ARG 587 -2.394 -12.051 7.201 306 HD3 ARG 587 HD1 ARG 587 -1.080 -11.787 6.041 307 HE ARG 587 HE ARG 587 -3.527 -12.450 4.736 308 HH11 ARG 587 HH11 ARG 587 -1.885 -9.766 6.268 309 HH12 ARG 587 HH12 ARG 587 -2.735 -8.575 5.340 310 HH21 ARG 587 HH21 ARG 587 -4.577 -10.887 3.498 311 HH22 ARG 587 HH22 ARG 587 -4.267 -9.208 3.786 312 H THR 588 HN THR 588 1.495 -12.388 8.799 313 HA THR 588 HA THR 588 3.396 -14.316 9.856 314 HB THR 588 HB THR 588 3.977 -12.494 11.491 315 HG1 THR 588 HG1 THR 588 2.094 -10.960 9.998 316 HG21 THR 588 HG21 THR 588 3.957 -11.596 8.574 317 HG22 THR 588 HG22 THR 588 5.190 -12.610 9.329 318 HG23 THR 588 HG23 THR 588 4.985 -10.937 9.851 319 H LYS 589 HN LYS 589 3.463 -14.775 12.196 320 HA LYS 589 HA LYS 589 1.037 -16.143 12.812 321 HB2 LYS 589 HB2 LYS 589 3.749 -15.948 14.090 322 HB3 LYS 589 HB1 LYS 589 2.435 -16.675 15.000 323 HG2 LYS 589 HG2 LYS 589 3.839 -18.336 13.846 324 HG3 LYS 589 HG1 LYS 589 2.149 -18.432 13.363 325 HD2 LYS 589 HD2 LYS 589 4.162 -16.908 11.667 326 HD3 LYS 589 HD1 LYS 589 4.063 -18.661 11.564 327 HE2 LYS 589 HE2 LYS 589 1.867 -16.671 10.884 328 HE3 LYS 589 HE1 LYS 589 2.722 -17.740 9.776 329 HZ1 LYS 589 HZ1 LYS 589 0.824 -18.540 11.914 330 HZ2 LYS 589 HZ2 LYS 589 1.726 -19.625 10.983 331 HZ3 LYS 589 HZ3 LYS 589 0.575 -18.631 10.242 332 H LYS 590 HN LYS 590 2.448 -13.177 13.986 333 HA LYS 590 HA LYS 590 0.776 -12.662 16.192 334 HB2 LYS 590 HB2 LYS 590 1.308 -10.213 15.674 335 HB3 LYS 590 HB1 LYS 590 2.714 -11.266 15.855 336 HG2 LYS 590 HG2 LYS 590 2.930 -11.418 13.406 337 HG3 LYS 590 HG1 LYS 590 1.519 -10.375 13.201 338 HD2 LYS 590 HD2 LYS 590 4.099 -9.545 14.593 339 HD3 LYS 590 HD1 LYS 590 3.728 -9.215 12.898 340 HE2 LYS 590 HE2 LYS 590 1.690 -7.937 13.674 341 HE3 LYS 590 HE1 LYS 590 2.254 -8.156 15.336 342 HZ1 LYS 590 HZ1 LYS 590 4.292 -6.994 14.720 343 HZ2 LYS 590 HZ2 LYS 590 2.922 -6.040 14.479 344 HZ3 LYS 590 HZ3 LYS 590 3.692 -6.757 13.158 345 H ASP 591 HN ASP 591 0.357 -12.086 12.674 346 HA ASP 591 HA ASP 591 -2.186 -10.781 12.737 347 HB2 ASP 591 HB2 ASP 591 -1.150 -12.611 10.511 348 HB3 ASP 591 HB1 ASP 591 -2.447 -11.430 10.364 349 H CYS 592 HN CYS 592 -1.160 -14.155 12.512 350 HA CYS 592 HA CYS 592 -3.656 -15.368 11.977 351 HB2 CYS 592 HB2 CYS 592 -1.140 -16.582 13.217 352 HB3 CYS 592 HB1 CYS 592 -2.490 -17.505 12.551 353 HG CYS 592 HG CYS 592 -1.063 -15.272 10.482 354 H MET 593 HN MET 593 -1.957 -14.668 15.026 355 HA MET 593 HA MET 593 -3.703 -16.178 16.744 356 HB2 MET 593 HB2 MET 593 -1.716 -13.956 17.403 357 HB3 MET 593 HB1 MET 593 -2.565 -14.920 18.609 358 HG2 MET 593 HG2 MET 593 -1.434 -16.923 17.893 359 HG3 MET 593 HG1 MET 593 -0.708 -16.070 16.525 360 HE1 MET 593 HE1 MET 593 2.534 -16.458 18.539 361 HE2 MET 593 HE2 MET 593 1.853 -16.310 16.920 362 HE3 MET 593 HE3 MET 593 1.314 -17.608 17.993 363 H LYS 594 HN LYS 594 -3.373 -12.692 16.008 364 HA LYS 594 HA LYS 594 -5.557 -11.864 17.662 365 HB2 LYS 594 HB2 LYS 594 -4.073 -10.442 15.426 366 HB3 LYS 594 HB1 LYS 594 -5.342 -9.680 16.386 367 HG2 LYS 594 HG2 LYS 594 -3.958 -10.162 18.442 368 HG3 LYS 594 HG1 LYS 594 -2.662 -10.706 17.371 369 HD2 LYS 594 HD2 LYS 594 -2.290 -8.380 18.083 370 HD3 LYS 594 HD1 LYS 594 -2.571 -8.451 16.341 371 HE2 LYS 594 HE2 LYS 594 -3.772 -6.545 17.365 372 HE3 LYS 594 HE1 LYS 594 -4.908 -7.705 16.682 373 HZ1 LYS 594 HZ1 LYS 594 -5.663 -6.962 18.819 374 HZ2 LYS 594 HZ2 LYS 594 -4.208 -7.399 19.546 375 HZ3 LYS 594 HZ3 LYS 594 -5.231 -8.590 18.940 376 H ARG 595 HN ARG 595 -5.312 -12.928 14.327 377 HA ARG 595 HA ARG 595 -7.925 -12.031 13.542 378 HB2 ARG 595 HB2 ARG 595 -6.030 -12.654 11.917 379 HB3 ARG 595 HB1 ARG 595 -6.396 -14.341 12.259 380 HG2 ARG 595 HG2 ARG 595 -7.476 -13.610 10.181 381 HG3 ARG 595 HG1 ARG 595 -8.697 -14.023 11.395 382 HD2 ARG 595 HD2 ARG 595 -9.030 -11.651 11.904 383 HD3 ARG 595 HD1 ARG 595 -7.738 -11.195 10.786 384 HE ARG 595 HE ARG 595 -9.485 -12.577 9.232 385 HH11 ARG 595 HH11 ARG 595 -9.909 -9.785 11.346 386 HH12 ARG 595 HH12 ARG 595 -11.167 -9.115 10.371 387 HH21 ARG 595 HH21 ARG 595 -11.136 -11.674 7.994 388 HH22 ARG 595 HH22 ARG 595 -11.852 -10.190 8.480 389 H TYR 596 HN TYR 596 -6.563 -15.217 14.471 390 HA TYR 596 HA TYR 596 -8.871 -16.760 14.647 391 HB2 TYR 596 HB2 TYR 596 -6.857 -17.971 14.923 392 HB3 TYR 596 HB1 TYR 596 -6.235 -16.872 16.142 393 HD1 TYR 596 HD2 TYR 596 -9.175 -19.224 15.724 394 HD2 TYR 596 HD1 TYR 596 -6.119 -17.736 18.314 395 HE1 TYR 596 HE2 TYR 596 -9.920 -20.766 17.480 396 HE2 TYR 596 HE1 TYR 596 -6.864 -19.277 20.081 397 HH TYR 596 HH TYR 596 -8.871 -20.505 20.731 398 H LYS 597 HN LYS 597 -7.475 -14.547 17.044 399 HA LYS 597 HA LYS 597 -9.167 -14.990 19.217 400 HB2 LYS 597 HB2 LYS 597 -7.202 -13.525 19.423 401 HB3 LYS 597 HB1 LYS 597 -7.913 -12.370 18.296 402 HG2 LYS 597 HG2 LYS 597 -9.807 -12.058 19.965 403 HG3 LYS 597 HG1 LYS 597 -8.864 -13.034 21.102 404 HD2 LYS 597 HD2 LYS 597 -7.057 -11.375 21.056 405 HD3 LYS 597 HD1 LYS 597 -7.914 -10.441 19.819 406 HE2 LYS 597 HE2 LYS 597 -8.814 -10.917 22.685 407 HE3 LYS 597 HE1 LYS 597 -8.242 -9.400 21.990 408 HZ1 LYS 597 HZ1 LYS 597 -10.173 -9.390 20.524 409 HZ2 LYS 597 HZ2 LYS 597 -10.648 -9.452 22.147 410 HZ3 LYS 597 HZ3 LYS 597 -10.712 -10.844 21.197 411 H GLU 598 HN GLU 598 -9.494 -12.544 16.624 412 HA GLU 598 HA GLU 598 -12.036 -11.612 17.431 413 HB2 GLU 598 HB2 GLU 598 -10.663 -11.400 14.715 414 HB3 GLU 598 HB1 GLU 598 -12.107 -10.501 15.192 415 HG2 GLU 598 HG2 GLU 598 -9.319 -10.260 16.364 416 HG3 GLU 598 HG1 GLU 598 -10.193 -9.053 15.424 417 H LEU 599 HN LEU 599 -11.090 -14.271 15.273 418 HA LEU 599 HA LEU 599 -13.611 -14.742 14.043 419 HB2 LEU 599 HB2 LEU 599 -11.408 -16.763 14.630 420 HB3 LEU 599 HB1 LEU 599 -12.776 -17.043 13.563 421 HG LEU 599 HG LEU 599 -10.464 -15.133 13.108 422 HD11 LEU 599 HD11 LEU 599 -11.281 -17.604 11.566 423 HD12 LEU 599 HD12 LEU 599 -9.934 -17.475 12.702 424 HD13 LEU 599 HD13 LEU 599 -9.913 -16.540 11.208 425 HD21 LEU 599 HD21 LEU 599 -12.922 -15.469 11.358 426 HD22 LEU 599 HD22 LEU 599 -11.473 -14.546 10.943 427 HD23 LEU 599 HD23 LEU 599 -12.479 -14.037 12.295 428 H VAL 600 HN VAL 600 -12.015 -16.243 16.875 429 HA VAL 600 HA VAL 600 -14.205 -17.949 17.500 430 HB VAL 600 HB VAL 600 -11.844 -18.498 18.165 431 HG11 VAL 600 HG11 VAL 600 -12.185 -16.399 20.340 432 HG12 VAL 600 HG12 VAL 600 -11.076 -16.298 18.974 433 HG13 VAL 600 HG13 VAL 600 -10.837 -17.538 20.208 434 HG21 VAL 600 HG21 VAL 600 -12.416 -19.531 20.341 435 HG22 VAL 600 HG22 VAL 600 -13.738 -19.700 19.183 436 HG23 VAL 600 HG23 VAL 600 -13.838 -18.487 20.460 437 H GLU 601 HN GLU 601 -13.271 -14.692 18.553 438 HA GLU 601 HA GLU 601 -15.102 -14.481 20.733 439 HB2 GLU 601 HB2 GLU 601 -13.690 -12.335 19.097 440 HB3 GLU 601 HB1 GLU 601 -14.745 -11.959 20.455 441 HG2 GLU 601 HG2 GLU 601 -12.147 -13.518 20.558 442 HG3 GLU 601 HG1 GLU 601 -12.429 -11.891 21.166 443 H MET 602 HN MET 602 -15.355 -13.796 17.245 444 HA MET 602 HA MET 602 -17.981 -12.615 17.381 445 HB2 MET 602 HB2 MET 602 -16.415 -13.805 15.057 446 HB3 MET 602 HB1 MET 602 -18.022 -13.115 14.863 447 HG2 MET 602 HG2 MET 602 -17.157 -10.929 15.660 448 HG3 MET 602 HG1 MET 602 -15.547 -11.634 15.792 449 HE1 MET 602 HE1 MET 602 -14.808 -12.459 11.960 450 HE2 MET 602 HE2 MET 602 -15.579 -13.552 13.107 451 HE3 MET 602 HE3 MET 602 -14.184 -12.592 13.605 452 H VAL 603 HN VAL 603 -16.733 -15.917 16.856 453 HA VAL 603 HA VAL 603 -19.193 -17.222 16.351 454 HB VAL 603 HB VAL 603 -16.662 -18.321 17.670 455 HG11 VAL 603 HG11 VAL 603 -19.060 -19.885 16.606 456 HG12 VAL 603 HG12 VAL 603 -18.572 -19.755 18.300 457 HG13 VAL 603 HG13 VAL 603 -17.534 -20.596 17.146 458 HG21 VAL 603 HG21 VAL 603 -16.312 -17.542 15.346 459 HG22 VAL 603 HG22 VAL 603 -17.641 -18.560 14.794 460 HG23 VAL 603 HG23 VAL 603 -16.177 -19.299 15.445 461 H LYS 604 HN LYS 604 -17.459 -16.542 19.369 462 HA LYS 604 HA LYS 604 -19.241 -17.812 21.178 463 HB2 LYS 604 HB2 LYS 604 -17.068 -15.718 21.532 464 HB3 LYS 604 HB1 LYS 604 -17.999 -16.317 22.898 465 HG2 LYS 604 HG2 LYS 604 -17.101 -18.516 22.672 466 HG3 LYS 604 HG1 LYS 604 -16.421 -18.155 21.087 467 HD2 LYS 604 HD2 LYS 604 -14.688 -18.244 22.875 468 HD3 LYS 604 HD1 LYS 604 -14.742 -16.681 22.062 469 HE2 LYS 604 HE2 LYS 604 -16.228 -17.098 24.671 470 HE3 LYS 604 HE1 LYS 604 -14.498 -16.774 24.676 471 HZ1 LYS 604 HZ1 LYS 604 -15.713 -14.748 24.957 472 HZ2 LYS 604 HZ2 LYS 604 -16.609 -15.016 23.555 473 HZ3 LYS 604 HZ3 LYS 604 -14.951 -14.713 23.448 474 H ALA 605 HN ALA 605 -18.991 -14.500 19.938 475 HA ALA 605 HA ALA 605 -20.834 -13.280 21.747 476 HB1 ALA 605 HB1 ALA 605 -20.764 -11.347 20.211 477 HB2 ALA 605 HB2 ALA 605 -19.944 -12.335 18.995 478 HB3 ALA 605 HB3 ALA 605 -19.141 -11.970 20.523 479 H LYS 606 HN LYS 606 -21.120 -14.497 18.413 480 HA LYS 606 HA LYS 606 -23.932 -13.940 18.161 481 HB2 LYS 606 HB2 LYS 606 -21.898 -15.360 16.445 482 HB3 LYS 606 HB1 LYS 606 -23.601 -15.612 16.109 483 HG2 LYS 606 HG2 LYS 606 -22.761 -13.878 14.664 484 HG3 LYS 606 HG1 LYS 606 -23.921 -13.187 15.803 485 HD2 LYS 606 HD2 LYS 606 -22.071 -12.268 17.151 486 HD3 LYS 606 HD1 LYS 606 -20.889 -13.011 16.067 487 HE2 LYS 606 HE2 LYS 606 -22.874 -10.828 15.337 488 HE3 LYS 606 HE1 LYS 606 -21.134 -10.634 15.552 489 HZ1 LYS 606 HZ1 LYS 606 -22.482 -12.222 13.436 490 HZ2 LYS 606 HZ2 LYS 606 -20.815 -12.180 13.687 491 HZ3 LYS 606 HZ3 LYS 606 -21.631 -10.780 13.238 492 H LYS 607 HN LYS 607 -22.045 -16.669 19.265 493 HA LYS 607 HA LYS 607 -24.093 -18.643 19.269 494 HB2 LYS 607 HB2 LYS 607 -21.702 -19.218 19.569 495 HB3 LYS 607 HB1 LYS 607 -21.676 -18.367 21.112 496 HG2 LYS 607 HG2 LYS 607 -23.233 -20.008 22.074 497 HG3 LYS 607 HG1 LYS 607 -23.353 -20.826 20.508 498 HD2 LYS 607 HD2 LYS 607 -20.911 -21.336 20.616 499 HD3 LYS 607 HD1 LYS 607 -20.839 -20.561 22.206 500 HE2 LYS 607 HE2 LYS 607 -22.483 -23.018 21.498 501 HE3 LYS 607 HE1 LYS 607 -20.969 -23.009 22.402 502 HZ1 LYS 607 HZ1 LYS 607 -22.801 -23.168 23.906 503 HZ2 LYS 607 HZ2 LYS 607 -23.549 -21.807 23.248 504 HZ3 LYS 607 HZ3 LYS 607 -22.099 -21.641 24.100 505 H ALA 608 HN ALA 608 -22.837 -16.515 21.844 506 HA ALA 608 HA ALA 608 -24.734 -17.059 23.843 507 HB1 ALA 608 HB1 ALA 608 -23.962 -14.962 24.887 508 HB2 ALA 608 HB2 ALA 608 -23.179 -14.489 23.371 509 HB3 ALA 608 HB3 ALA 608 -22.598 -15.896 24.267 510 H ALA 609 HN ALA 609 -24.727 -14.677 21.218 511 HA ALA 609 HA ALA 609 -26.959 -13.139 21.940 512 HB1 ALA 609 HB1 ALA 609 -27.019 -12.397 19.596 513 HB2 ALA 609 HB2 ALA 609 -25.956 -13.732 19.133 514 HB3 ALA 609 HB3 ALA 609 -25.357 -12.452 20.192 515 H GLN 610 HN GLN 610 -26.852 -15.709 19.455 516 HA GLN 610 HA GLN 610 -29.644 -15.798 18.991 517 HB2 GLN 610 HB2 GLN 610 -27.479 -17.851 18.330 518 HB3 GLN 610 HB1 GLN 610 -29.112 -17.855 17.663 519 HG2 GLN 610 HG2 GLN 610 -26.993 -15.719 17.215 520 HG3 GLN 610 HG1 GLN 610 -27.514 -16.937 16.050 521 HE21 GLN 610 HE21 GLN 610 -29.567 -16.707 15.058 522 HE22 GLN 610 HE22 GLN 610 -30.422 -15.207 15.073 523 H GLU 611 HN GLU 611 -27.600 -17.517 21.249 524 HA GLU 611 HA GLU 611 -29.400 -19.657 21.837 525 HB2 GLU 611 HB2 GLU 611 -26.848 -19.615 22.139 526 HB3 GLU 611 HB1 GLU 611 -27.126 -18.684 23.602 527 HG2 GLU 611 HG2 GLU 611 -28.327 -20.558 24.608 528 HG3 GLU 611 HG1 GLU 611 -28.217 -21.473 23.108 529 H GLN 612 HN GLN 612 -28.708 -16.505 23.318 530 HA GLN 612 HA GLN 612 -30.563 -16.892 25.509 531 HB2 GLN 612 HB2 GLN 612 -29.121 -14.369 24.553 532 HB3 GLN 612 HB1 GLN 612 -30.094 -14.484 26.020 533 HG2 GLN 612 HG2 GLN 612 -27.551 -16.040 25.463 534 HG3 GLN 612 HG1 GLN 612 -27.686 -14.627 26.500 535 HE21 GLN 612 HE21 GLN 612 -28.608 -14.844 28.545 536 HE22 GLN 612 HE22 GLN 612 -28.897 -16.385 29.275 537 H VAL 613 HN VAL 613 -30.683 -15.445 22.268 538 HA VAL 613 HA VAL 613 -33.190 -14.111 22.609 539 HB VAL 613 HB VAL 613 -31.797 -15.038 20.049 540 HG11 VAL 613 HG11 VAL 613 -34.263 -13.249 20.300 541 HG12 VAL 613 HG12 VAL 613 -34.233 -14.875 19.611 542 HG13 VAL 613 HG13 VAL 613 -33.376 -13.562 18.804 543 HG21 VAL 613 HG21 VAL 613 -30.585 -13.275 21.293 544 HG22 VAL 613 HG22 VAL 613 -32.032 -12.269 21.295 545 HG23 VAL 613 HG23 VAL 613 -31.222 -12.643 19.772 546 H LEU 614 HN LEU 614 -32.246 -17.418 21.699 547 HA LEU 614 HA LEU 614 -34.787 -18.158 20.616 548 HB2 LEU 614 HB2 LEU 614 -33.919 -20.313 20.245 549 HB3 LEU 614 HB1 LEU 614 -32.530 -19.253 20.124 550 HG LEU 614 HG LEU 614 -32.016 -19.975 22.581 551 HD11 LEU 614 HD11 LEU 614 -33.801 -22.314 21.851 552 HD12 LEU 614 HD12 LEU 614 -34.076 -21.150 23.148 553 HD13 LEU 614 HD13 LEU 614 -32.696 -22.238 23.229 554 HD21 LEU 614 HD21 LEU 614 -31.641 -21.933 20.300 555 HD22 LEU 614 HD22 LEU 614 -30.706 -21.895 21.800 556 HD23 LEU 614 HD23 LEU 614 -30.617 -20.544 20.674 557 H ASN 615 HN ASN 615 -33.628 -17.879 23.880 558 HA ASN 615 HA ASN 615 -35.353 -19.824 25.079 559 HB2 ASN 615 HB2 ASN 615 -34.510 -19.176 27.148 560 HB3 ASN 615 HB1 ASN 615 -33.209 -18.634 26.107 561 HD21 ASN 615 HD21 ASN 615 -33.969 -17.760 28.814 562 HD22 ASN 615 HD22 ASN 615 -34.252 -16.062 28.716 563 H ALA 616 HN ALA 616 -35.842 -16.622 23.909 564 HA ALA 616 HA ALA 616 -38.211 -15.939 25.359 565 HB1 ALA 616 HB1 ALA 616 -37.153 -14.843 22.726 566 HB2 ALA 616 HB2 ALA 616 -36.768 -14.221 24.333 567 HB3 ALA 616 HB3 ALA 616 -38.418 -14.109 23.714 568 H SER 617 HN SER 617 -37.559 -17.564 22.251 569 HA SER 617 HA SER 617 -40.366 -17.871 21.557 570 HB2 SER 617 HB2 SER 617 -39.456 -19.324 19.691 571 HB3 SER 617 HB1 SER 617 -38.773 -17.701 19.727 572 HG SER 617 HG SER 617 -37.455 -19.818 21.034 573 H ARG 618 HN ARG 618 -37.960 -19.632 23.340 574 HA ARG 618 HA ARG 618 -39.306 -22.203 23.375 575 HB2 ARG 618 HB2 ARG 618 -36.752 -21.700 23.539 576 HB3 ARG 618 HB1 ARG 618 -37.048 -21.278 25.216 577 HG2 ARG 618 HG2 ARG 618 -37.733 -24.007 24.058 578 HG3 ARG 618 HG1 ARG 618 -36.145 -23.618 24.718 579 HD2 ARG 618 HD2 ARG 618 -37.276 -23.070 26.911 580 HD3 ARG 618 HD1 ARG 618 -38.787 -23.664 26.205 581 HE ARG 618 HE ARG 618 -36.788 -25.637 25.918 582 HH11 ARG 618 HH11 ARG 618 -38.796 -24.225 28.415 583 HH12 ARG 618 HH12 ARG 618 -38.686 -25.607 29.444 584 HH21 ARG 618 HH21 ARG 618 -36.665 -27.426 27.264 585 HH22 ARG 618 HH22 ARG 618 -37.477 -27.428 28.794 586 H ALA 619 HN ALA 619 -39.128 -19.315 25.325 587 HA ALA 619 HA ALA 619 -41.365 -20.081 27.041 588 HB1 ALA 619 HB1 ALA 619 -39.399 -20.921 28.301 589 HB2 ALA 619 HB2 ALA 619 -40.159 -19.564 29.135 590 HB3 ALA 619 HB3 ALA 619 -38.659 -19.318 28.232 591 H LYS 620 HN LYS 620 -42.550 -18.389 26.230 592 HA LYS 620 HA LYS 620 -41.426 -15.789 25.741 593 HB2 LYS 620 HB2 LYS 620 -43.282 -16.913 24.378 594 HB3 LYS 620 HB1 LYS 620 -44.383 -16.497 25.681 595 HG2 LYS 620 HG2 LYS 620 -44.498 -14.886 23.826 596 HG3 LYS 620 HG1 LYS 620 -43.949 -14.101 25.315 597 HD2 LYS 620 HD2 LYS 620 -41.651 -14.089 24.538 598 HD3 LYS 620 HD1 LYS 620 -42.051 -15.098 23.145 599 HE2 LYS 620 HE2 LYS 620 -43.123 -12.286 23.579 600 HE3 LYS 620 HE1 LYS 620 -41.708 -12.677 22.597 601 HZ1 LYS 620 HZ1 LYS 620 -43.641 -12.472 21.204 602 HZ2 LYS 620 HZ2 LYS 620 -44.490 -13.604 22.125 603 HZ3 LYS 620 HZ3 LYS 620 -43.153 -14.090 21.216 604 H LYS 621 HN LYS 621 -43.289 -17.269 28.310 605 HA LYS 621 HA LYS 621 -43.690 -14.792 29.779 606 HB2 LYS 621 HB2 LYS 621 -45.347 -16.613 29.993 607 HB3 LYS 621 HB1 LYS 621 -44.107 -17.693 30.622 608 HG2 LYS 621 HG2 LYS 621 -43.900 -16.408 32.657 609 HG3 LYS 621 HG1 LYS 621 -44.917 -15.114 32.016 610 HD2 LYS 621 HD2 LYS 621 -45.853 -17.960 32.585 611 HD3 LYS 621 HD1 LYS 621 -46.117 -16.572 33.649 612 HE2 LYS 621 HE2 LYS 621 -47.474 -15.472 31.912 613 HE3 LYS 621 HE1 LYS 621 -47.150 -16.800 30.795 614 HZ1 LYS 621 HZ1 LYS 621 -48.648 -16.977 33.338 615 HZ2 LYS 621 HZ2 LYS 621 -48.289 -18.282 32.332 616 HZ3 LYS 621 HZ3 LYS 621 -49.296 -17.046 31.781 Start of MODEL 18 1 H PHE 551 HN PHE 551 1.425 -4.069 7.036 2 HA PHE 551 HA PHE 551 0.389 -6.707 7.698 3 HB2 PHE 551 HB2 PHE 551 0.282 -4.688 9.250 4 HB3 PHE 551 HB1 PHE 551 -0.871 -3.952 8.153 5 HD1 PHE 551 HD1 PHE 551 -3.121 -5.297 7.744 6 HD2 PHE 551 HD2 PHE 551 -0.489 -6.029 11.043 7 HE1 PHE 551 HE1 PHE 551 -4.970 -6.329 9.000 8 HE2 PHE 551 HE2 PHE 551 -2.344 -7.067 12.286 9 HZ PHE 551 HZ PHE 551 -4.583 -7.215 11.266 10 H THR 552 HN THR 552 -0.352 -7.734 5.878 11 HA THR 552 HA THR 552 -1.975 -6.360 3.877 12 HB THR 552 HB THR 552 -1.944 -8.668 2.756 13 HG1 THR 552 HG1 THR 552 -1.507 -9.899 4.645 14 HG21 THR 552 HG21 THR 552 -0.336 -6.918 2.080 15 HG22 THR 552 HG22 THR 552 0.402 -8.519 2.015 16 HG23 THR 552 HG23 THR 552 0.774 -7.432 3.356 17 HA PRO 553 HA PRO 553 -5.855 -7.661 5.844 18 HB2 PRO 553 HB2 PRO 553 -7.164 -7.164 3.211 19 HB3 PRO 553 HB1 PRO 553 -7.410 -6.342 4.757 20 HG2 PRO 553 HG2 PRO 553 -6.153 -5.125 2.707 21 HG3 PRO 553 HG1 PRO 553 -5.669 -4.835 4.391 22 HD2 PRO 553 HD2 PRO 553 -4.387 -6.655 2.343 23 HD3 PRO 553 HD1 PRO 553 -3.625 -5.495 3.459 24 H TRP 554 HN TRP 554 -6.607 -9.698 6.135 25 HA TRP 554 HA TRP 554 -6.054 -11.908 4.455 26 HB2 TRP 554 HB2 TRP 554 -8.117 -11.621 6.692 27 HB3 TRP 554 HB1 TRP 554 -7.684 -13.150 5.933 28 HD1 TRP 554 HD1 TRP 554 -5.881 -10.324 7.945 29 HE1 TRP 554 HE1 TRP 554 -4.112 -11.427 9.437 30 HE3 TRP 554 HE3 TRP 554 -6.467 -15.169 6.436 31 HZ2 TRP 554 HZ2 TRP 554 -3.077 -14.024 9.903 32 HZ3 TRP 554 HZ3 TRP 554 -5.054 -16.903 7.459 33 HH2 TRP 554 HH2 TRP 554 -3.394 -16.343 9.158 34 H THR 555 HN THR 555 -7.028 -12.493 2.610 35 HA THR 555 HA THR 555 -9.638 -11.484 1.813 36 HB THR 555 HB THR 555 -9.276 -12.841 -0.257 37 HG1 THR 555 HG1 THR 555 -6.652 -13.460 0.467 38 HG21 THR 555 HG21 THR 555 -8.347 -10.546 -0.187 39 HG22 THR 555 HG22 THR 555 -7.322 -11.618 -1.144 40 HG23 THR 555 HG23 THR 555 -6.841 -11.177 0.494 41 H THR 556 HN THR 556 -11.116 -13.354 0.753 42 HA THR 556 HA THR 556 -12.226 -14.894 2.809 43 HB THR 556 HB THR 556 -12.459 -15.320 -0.201 44 HG1 THR 556 HG1 THR 556 -13.649 -13.589 -0.128 45 HG21 THR 556 HG21 THR 556 -14.321 -16.266 2.021 46 HG22 THR 556 HG22 THR 556 -13.289 -17.301 1.028 47 HG23 THR 556 HG23 THR 556 -14.619 -16.414 0.286 48 H GLU 557 HN GLU 557 -10.068 -15.904 0.122 49 HA GLU 557 HA GLU 557 -9.953 -18.646 0.784 50 HB2 GLU 557 HB2 GLU 557 -7.984 -18.774 -0.715 51 HB3 GLU 557 HB1 GLU 557 -9.329 -17.907 -1.448 52 HG2 GLU 557 HG2 GLU 557 -8.225 -15.767 -1.035 53 HG3 GLU 557 HG1 GLU 557 -6.910 -16.569 -0.182 54 H GLU 558 HN GLU 558 -7.827 -15.915 1.733 55 HA GLU 558 HA GLU 558 -5.811 -17.458 3.010 56 HB2 GLU 558 HB2 GLU 558 -6.601 -14.542 3.416 57 HB3 GLU 558 HB1 GLU 558 -5.170 -15.283 4.139 58 HG2 GLU 558 HG2 GLU 558 -4.290 -15.768 1.886 59 HG3 GLU 558 HG1 GLU 558 -5.713 -15.013 1.167 60 H GLN 559 HN GLN 559 -8.773 -15.929 4.262 61 HA GLN 559 HA GLN 559 -8.383 -16.569 6.998 62 HB2 GLN 559 HB2 GLN 559 -10.098 -14.924 6.266 63 HB3 GLN 559 HB1 GLN 559 -11.028 -16.214 5.511 64 HG2 GLN 559 HG2 GLN 559 -11.322 -17.273 7.749 65 HG3 GLN 559 HG1 GLN 559 -10.434 -15.938 8.477 66 HE21 GLN 559 HE21 GLN 559 -13.080 -16.830 9.080 67 HE22 GLN 559 HE22 GLN 559 -14.146 -15.502 8.784 68 H LYS 560 HN LYS 560 -9.902 -18.326 4.306 69 HA LYS 560 HA LYS 560 -10.825 -20.574 5.812 70 HB2 LYS 560 HB2 LYS 560 -10.348 -20.181 2.834 71 HB3 LYS 560 HB1 LYS 560 -11.064 -21.644 3.514 72 HG2 LYS 560 HG2 LYS 560 -12.952 -20.361 4.380 73 HG3 LYS 560 HG1 LYS 560 -12.221 -18.854 3.824 74 HD2 LYS 560 HD2 LYS 560 -14.009 -19.588 2.299 75 HD3 LYS 560 HD1 LYS 560 -12.445 -19.580 1.481 76 HE2 LYS 560 HE2 LYS 560 -13.749 -21.580 0.880 77 HE3 LYS 560 HE1 LYS 560 -12.293 -22.034 1.758 78 HZ1 LYS 560 HZ1 LYS 560 -14.280 -23.247 2.468 79 HZ2 LYS 560 HZ2 LYS 560 -14.986 -21.798 2.971 80 HZ3 LYS 560 HZ3 LYS 560 -13.585 -22.362 3.730 81 H LEU 561 HN LEU 561 -7.745 -19.807 4.280 82 HA LEU 561 HA LEU 561 -6.547 -22.409 4.479 83 HB2 LEU 561 HB2 LEU 561 -5.225 -19.664 4.445 84 HB3 LEU 561 HB1 LEU 561 -4.370 -21.192 4.270 85 HG LEU 561 HG LEU 561 -6.423 -20.107 2.308 86 HD11 LEU 561 HD11 LEU 561 -4.571 -19.672 0.801 87 HD12 LEU 561 HD12 LEU 561 -3.416 -20.214 2.020 88 HD13 LEU 561 HD13 LEU 561 -4.383 -18.763 2.301 89 HD21 LEU 561 HD21 LEU 561 -5.703 -21.919 0.814 90 HD22 LEU 561 HD22 LEU 561 -6.413 -22.545 2.299 91 HD23 LEU 561 HD23 LEU 561 -4.660 -22.563 2.085 92 H LEU 562 HN LEU 562 -6.868 -19.610 6.602 93 HA LEU 562 HA LEU 562 -5.291 -20.602 8.768 94 HB2 LEU 562 HB2 LEU 562 -5.865 -18.199 8.494 95 HB3 LEU 562 HB1 LEU 562 -7.550 -18.567 8.804 96 HG LEU 562 HG LEU 562 -6.893 -19.351 11.122 97 HD11 LEU 562 HD11 LEU 562 -4.723 -18.694 12.044 98 HD12 LEU 562 HD12 LEU 562 -4.188 -18.155 10.450 99 HD13 LEU 562 HD13 LEU 562 -4.536 -19.864 10.736 100 HD21 LEU 562 HD21 LEU 562 -6.238 -16.466 10.480 101 HD22 LEU 562 HD22 LEU 562 -6.656 -17.113 12.069 102 HD23 LEU 562 HD23 LEU 562 -7.848 -17.133 10.771 103 H GLU 563 HN GLU 563 -8.775 -20.706 8.003 104 HA GLU 563 HA GLU 563 -9.794 -21.887 10.309 105 HB2 GLU 563 HB2 GLU 563 -10.745 -22.273 7.437 106 HB3 GLU 563 HB1 GLU 563 -11.657 -22.755 8.868 107 HG2 GLU 563 HG2 GLU 563 -10.885 -19.910 8.160 108 HG3 GLU 563 HG1 GLU 563 -12.456 -20.641 7.858 109 H GLN 564 HN GLN 564 -8.658 -23.467 7.292 110 HA GLN 564 HA GLN 564 -9.054 -26.134 8.193 111 HB2 GLN 564 HB2 GLN 564 -7.962 -26.856 6.181 112 HB3 GLN 564 HB1 GLN 564 -8.901 -25.427 5.767 113 HG2 GLN 564 HG2 GLN 564 -6.818 -24.074 5.830 114 HG3 GLN 564 HG1 GLN 564 -5.888 -25.529 6.177 115 HE21 GLN 564 HE21 GLN 564 -5.696 -27.124 4.524 116 HE22 GLN 564 HE22 GLN 564 -5.944 -26.726 2.864 117 H ALA 565 HN ALA 565 -6.371 -23.878 8.465 118 HA ALA 565 HA ALA 565 -4.389 -25.747 9.363 119 HB1 ALA 565 HB1 ALA 565 -4.514 -22.743 9.822 120 HB2 ALA 565 HB2 ALA 565 -3.869 -23.515 8.376 121 HB3 ALA 565 HB3 ALA 565 -3.078 -23.777 9.925 122 H LEU 566 HN LEU 566 -6.881 -23.829 10.954 123 HA LEU 566 HA LEU 566 -6.018 -24.302 13.660 124 HB2 LEU 566 HB2 LEU 566 -8.642 -23.258 12.528 125 HB3 LEU 566 HB1 LEU 566 -8.271 -23.319 14.246 126 HG LEU 566 HG LEU 566 -6.651 -21.699 12.234 127 HD11 LEU 566 HD11 LEU 566 -8.890 -20.773 12.278 128 HD12 LEU 566 HD12 LEU 566 -7.771 -19.689 13.105 129 HD13 LEU 566 HD13 LEU 566 -8.868 -20.707 14.044 130 HD21 LEU 566 HD21 LEU 566 -5.708 -20.570 14.186 131 HD22 LEU 566 HD22 LEU 566 -5.402 -22.304 14.264 132 HD23 LEU 566 HD23 LEU 566 -6.669 -21.585 15.264 133 H LYS 567 HN LYS 567 -7.979 -26.027 11.328 134 HA LYS 567 HA LYS 567 -9.221 -27.824 13.266 135 HB2 LYS 567 HB2 LYS 567 -9.033 -28.195 10.240 136 HB3 LYS 567 HB1 LYS 567 -10.134 -29.019 11.339 137 HG2 LYS 567 HG2 LYS 567 -10.191 -26.092 10.561 138 HG3 LYS 567 HG1 LYS 567 -11.307 -27.344 10.024 139 HD2 LYS 567 HD2 LYS 567 -12.149 -27.590 12.335 140 HD3 LYS 567 HD1 LYS 567 -11.004 -26.364 12.897 141 HE2 LYS 567 HE2 LYS 567 -12.109 -24.673 11.474 142 HE3 LYS 567 HE1 LYS 567 -13.237 -25.894 10.877 143 HZ1 LYS 567 HZ1 LYS 567 -14.095 -26.145 13.109 144 HZ2 LYS 567 HZ2 LYS 567 -14.198 -24.531 12.615 145 HZ3 LYS 567 HZ3 LYS 567 -12.992 -25.006 13.696 146 H THR 568 HN THR 568 -6.594 -27.917 10.890 147 HA THR 568 HA THR 568 -5.972 -30.691 11.174 148 HB THR 568 HB THR 568 -4.392 -28.423 9.880 149 HG1 THR 568 HG1 THR 568 -6.584 -29.060 9.079 150 HG21 THR 568 HG21 THR 568 -3.213 -30.175 8.593 151 HG22 THR 568 HG22 THR 568 -4.029 -31.429 9.530 152 HG23 THR 568 HG23 THR 568 -2.888 -30.338 10.321 153 H TYR 569 HN TYR 569 -4.590 -27.700 12.504 154 HA TYR 569 HA TYR 569 -2.753 -29.259 14.234 155 HB2 TYR 569 HB2 TYR 569 -2.645 -26.247 13.769 156 HB3 TYR 569 HB1 TYR 569 -1.383 -27.282 14.431 157 HD1 TYR 569 HD2 TYR 569 -0.890 -29.396 12.610 158 HD2 TYR 569 HD1 TYR 569 -2.102 -25.411 11.651 159 HE1 TYR 569 HE2 TYR 569 0.004 -29.671 10.335 160 HE2 TYR 569 HE1 TYR 569 -1.217 -25.692 9.379 161 HH TYR 569 HH TYR 569 -0.345 -28.715 8.094 162 HA PRO 570 HA PRO 570 -6.104 -28.456 17.321 163 HB2 PRO 570 HB2 PRO 570 -4.001 -29.823 19.013 164 HB3 PRO 570 HB1 PRO 570 -5.750 -30.109 18.940 165 HG2 PRO 570 HG2 PRO 570 -4.100 -31.794 17.737 166 HG3 PRO 570 HG1 PRO 570 -5.595 -31.297 16.916 167 HD2 PRO 570 HD2 PRO 570 -2.767 -30.347 16.448 168 HD3 PRO 570 HD1 PRO 570 -4.038 -30.731 15.261 169 H VAL 571 HN VAL 571 -6.283 -27.253 19.316 170 HA VAL 571 HA VAL 571 -4.691 -24.892 19.323 171 HB VAL 571 HB VAL 571 -7.066 -24.761 19.898 172 HG11 VAL 571 HG11 VAL 571 -7.391 -26.912 21.041 173 HG12 VAL 571 HG12 VAL 571 -7.974 -25.591 22.056 174 HG13 VAL 571 HG13 VAL 571 -6.422 -26.361 22.408 175 HG21 VAL 571 HG21 VAL 571 -6.929 -23.260 21.841 176 HG22 VAL 571 HG22 VAL 571 -5.526 -23.025 20.786 177 HG23 VAL 571 HG23 VAL 571 -5.359 -23.949 22.282 178 H ASN 572 HN ASN 572 -4.676 -27.810 21.276 179 HA ASN 572 HA ASN 572 -2.885 -26.808 23.318 180 HB2 ASN 572 HB2 ASN 572 -3.791 -29.660 22.702 181 HB3 ASN 572 HB1 ASN 572 -2.912 -29.162 24.148 182 HD21 ASN 572 HD21 ASN 572 -5.535 -30.409 23.914 183 HD22 ASN 572 HD22 ASN 572 -6.647 -29.343 24.694 184 H THR 573 HN THR 573 -2.320 -27.628 20.141 185 HA THR 573 HA THR 573 0.238 -28.942 20.377 186 HB THR 573 HB THR 573 -1.024 -27.474 18.009 187 HG1 THR 573 HG1 THR 573 -2.028 -29.473 19.052 188 HG21 THR 573 HG21 THR 573 0.516 -28.783 16.591 189 HG22 THR 573 HG22 THR 573 1.262 -29.490 18.026 190 HG23 THR 573 HG23 THR 573 1.427 -27.761 17.706 191 HA PRO 574 HA PRO 574 2.265 -24.908 21.289 192 HB2 PRO 574 HB2 PRO 574 4.722 -25.826 21.942 193 HB3 PRO 574 HB1 PRO 574 3.332 -26.071 23.013 194 HG2 PRO 574 HG2 PRO 574 4.583 -28.005 21.058 195 HG3 PRO 574 HG1 PRO 574 4.060 -28.296 22.730 196 HD2 PRO 574 HD2 PRO 574 2.534 -28.958 20.529 197 HD3 PRO 574 HD1 PRO 574 1.836 -28.576 22.119 198 H GLU 575 HN GLU 575 2.754 -27.015 18.724 199 HA GLU 575 HA GLU 575 4.628 -25.256 17.259 200 HB2 GLU 575 HB2 GLU 575 3.658 -28.024 16.431 201 HB3 GLU 575 HB1 GLU 575 5.051 -27.138 15.812 202 HG2 GLU 575 HG2 GLU 575 6.239 -27.473 17.901 203 HG3 GLU 575 HG1 GLU 575 4.822 -28.230 18.631 204 H ARG 576 HN ARG 576 1.486 -25.156 17.811 205 HA ARG 576 HA ARG 576 0.038 -25.842 15.516 206 HB2 ARG 576 HB2 ARG 576 -0.959 -25.163 17.810 207 HB3 ARG 576 HB1 ARG 576 -0.676 -23.489 17.334 208 HG2 ARG 576 HG2 ARG 576 -2.136 -23.948 15.281 209 HG3 ARG 576 HG1 ARG 576 -2.541 -25.494 16.026 210 HD2 ARG 576 HD2 ARG 576 -3.299 -24.101 18.067 211 HD3 ARG 576 HD1 ARG 576 -3.217 -22.708 16.978 212 HE ARG 576 HE ARG 576 -4.746 -24.697 15.723 213 HH11 ARG 576 HH11 ARG 576 -5.009 -22.537 18.478 214 HH12 ARG 576 HH12 ARG 576 -6.739 -22.629 18.538 215 HH21 ARG 576 HH21 ARG 576 -7.017 -24.812 15.817 216 HH22 ARG 576 HH22 ARG 576 -7.882 -23.907 17.014 217 H TRP 577 HN TRP 577 1.105 -22.612 16.530 218 HA TRP 577 HA TRP 577 0.262 -21.253 14.183 219 HB2 TRP 577 HB2 TRP 577 2.229 -20.302 16.308 220 HB3 TRP 577 HB1 TRP 577 1.322 -19.289 15.186 221 HD1 TRP 577 HD1 TRP 577 1.126 -20.609 18.639 222 HE1 TRP 577 HE1 TRP 577 -1.216 -20.237 19.623 223 HE3 TRP 577 HE3 TRP 577 -1.380 -19.374 14.355 224 HZ2 TRP 577 HZ2 TRP 577 -3.791 -19.540 18.714 225 HZ3 TRP 577 HZ3 TRP 577 -3.784 -18.870 14.498 226 HH2 TRP 577 HH2 TRP 577 -4.956 -18.952 16.636 227 H LYS 578 HN LYS 578 3.273 -22.764 15.128 228 HA LYS 578 HA LYS 578 5.081 -21.633 13.272 229 HB2 LYS 578 HB2 LYS 578 5.010 -24.362 14.634 230 HB3 LYS 578 HB1 LYS 578 6.295 -23.928 13.523 231 HG2 LYS 578 HG2 LYS 578 7.057 -23.637 15.795 232 HG3 LYS 578 HG1 LYS 578 6.963 -22.066 14.999 233 HD2 LYS 578 HD2 LYS 578 4.812 -21.621 16.167 234 HD3 LYS 578 HD1 LYS 578 4.924 -23.194 16.963 235 HE2 LYS 578 HE2 LYS 578 5.651 -21.315 18.428 236 HE3 LYS 578 HE1 LYS 578 6.940 -22.489 18.153 237 HZ1 LYS 578 HZ1 LYS 578 6.645 -19.908 16.702 238 HZ2 LYS 578 HZ2 LYS 578 7.907 -21.019 16.513 239 HZ3 LYS 578 HZ3 LYS 578 7.719 -20.193 17.974 240 H LYS 579 HN LYS 579 3.037 -24.528 13.082 241 HA LYS 579 HA LYS 579 3.737 -25.186 10.367 242 HB2 LYS 579 HB2 LYS 579 1.489 -26.198 12.162 243 HB3 LYS 579 HB1 LYS 579 1.964 -26.928 10.625 244 HG2 LYS 579 HG2 LYS 579 4.142 -27.537 11.532 245 HG3 LYS 579 HG1 LYS 579 3.794 -26.673 13.036 246 HD2 LYS 579 HD2 LYS 579 1.977 -28.257 13.544 247 HD3 LYS 579 HD1 LYS 579 2.270 -29.112 12.025 248 HE2 LYS 579 HE2 LYS 579 4.515 -29.761 12.814 249 HE3 LYS 579 HE1 LYS 579 4.270 -28.856 14.308 250 HZ1 LYS 579 HZ1 LYS 579 2.673 -31.196 13.433 251 HZ2 LYS 579 HZ2 LYS 579 2.472 -30.344 14.879 252 HZ3 LYS 579 HZ3 LYS 579 3.894 -31.215 14.600 253 H ILE 580 HN ILE 580 1.184 -23.326 11.930 254 HA ILE 580 HA ILE 580 -0.614 -23.045 9.756 255 HB ILE 580 HB ILE 580 -0.095 -21.327 12.214 256 HG12 ILE 580 HG12 ILE 580 -2.380 -23.182 11.435 257 HG13 ILE 580 HG11 ILE 580 -1.130 -23.523 12.613 258 HG21 ILE 580 HG21 ILE 580 -2.298 -20.813 10.189 259 HG22 ILE 580 HG22 ILE 580 -0.923 -19.757 10.530 260 HG23 ILE 580 HG23 ILE 580 -2.147 -20.036 11.769 261 HD11 ILE 580 HD11 ILE 580 -3.282 -21.428 12.866 262 HD12 ILE 580 HD12 ILE 580 -2.033 -21.782 14.065 263 HD13 ILE 580 HD13 ILE 580 -3.239 -23.002 13.660 264 H ALA 581 HN ALA 581 2.403 -21.378 10.508 265 HA ALA 581 HA ALA 581 2.385 -19.229 8.729 266 HB1 ALA 581 HB1 ALA 581 4.239 -19.670 10.311 267 HB2 ALA 581 HB2 ALA 581 4.844 -19.423 8.673 268 HB3 ALA 581 HB3 ALA 581 4.742 -21.056 9.343 269 H GLU 582 HN GLU 582 3.042 -22.629 8.089 270 HA GLU 582 HA GLU 582 3.721 -22.234 5.291 271 HB2 GLU 582 HB2 GLU 582 3.350 -24.799 6.899 272 HB3 GLU 582 HB1 GLU 582 4.117 -24.663 5.312 273 HG2 GLU 582 HG2 GLU 582 5.929 -23.322 6.278 274 HG3 GLU 582 HG1 GLU 582 5.137 -23.346 7.856 275 H ALA 583 HN ALA 583 1.039 -23.508 7.215 276 HA ALA 583 HA ALA 583 -0.546 -24.482 5.046 277 HB1 ALA 583 HB1 ALA 583 -2.317 -24.750 6.733 278 HB2 ALA 583 HB2 ALA 583 -1.376 -23.801 7.888 279 HB3 ALA 583 HB3 ALA 583 -0.774 -25.364 7.330 280 H VAL 584 HN VAL 584 -0.062 -21.315 6.358 281 HA VAL 584 HA VAL 584 -2.048 -20.236 4.448 282 HB VAL 584 HB VAL 584 -1.330 -18.650 6.949 283 HG11 VAL 584 HG11 VAL 584 -2.431 -17.481 5.085 284 HG12 VAL 584 HG12 VAL 584 -3.484 -17.538 6.498 285 HG13 VAL 584 HG13 VAL 584 -3.777 -18.625 5.139 286 HG21 VAL 584 HG21 VAL 584 -2.193 -20.749 7.872 287 HG22 VAL 584 HG22 VAL 584 -3.616 -20.654 6.834 288 HG23 VAL 584 HG23 VAL 584 -3.371 -19.452 8.106 289 HA PRO 585 HA PRO 585 2.214 -19.387 2.978 290 HB2 PRO 585 HB2 PRO 585 0.668 -18.021 0.767 291 HB3 PRO 585 HB1 PRO 585 2.012 -19.171 0.660 292 HG2 PRO 585 HG2 PRO 585 -0.467 -20.001 0.200 293 HG3 PRO 585 HG1 PRO 585 0.642 -21.014 1.151 294 HD2 PRO 585 HD2 PRO 585 -1.606 -19.242 2.112 295 HD3 PRO 585 HD1 PRO 585 -1.138 -20.870 2.657 296 H GLY 586 HN GLY 586 3.308 -17.876 4.068 297 HA2 GLY 586 HA2 GLY 586 4.374 -15.878 4.366 298 HA3 GLY 586 HA1 GLY 586 3.434 -15.219 3.042 299 H ARG 587 HN ARG 587 1.464 -16.506 5.543 300 HA ARG 587 HA ARG 587 0.794 -13.797 6.455 301 HB2 ARG 587 HB2 ARG 587 -0.627 -16.459 6.660 302 HB3 ARG 587 HB1 ARG 587 -1.137 -15.076 7.624 303 HG2 ARG 587 HG2 ARG 587 -0.886 -14.857 4.608 304 HG3 ARG 587 HG1 ARG 587 -2.335 -15.524 5.359 305 HD2 ARG 587 HD2 ARG 587 -2.557 -13.101 4.838 306 HD3 ARG 587 HD1 ARG 587 -2.757 -13.444 6.556 307 HE ARG 587 HE ARG 587 -0.098 -12.572 5.641 308 HH11 ARG 587 HH11 ARG 587 -3.157 -11.536 6.990 309 HH12 ARG 587 HH12 ARG 587 -2.474 -10.189 7.840 310 HH21 ARG 587 HH21 ARG 587 0.786 -10.784 6.777 311 HH22 ARG 587 HH22 ARG 587 -0.241 -9.784 7.750 312 H THR 588 HN THR 588 1.033 -13.064 8.456 313 HA THR 588 HA THR 588 3.173 -14.284 9.973 314 HB THR 588 HB THR 588 2.869 -12.025 11.311 315 HG1 THR 588 HG1 THR 588 1.391 -10.700 10.554 316 HG21 THR 588 HG21 THR 588 4.757 -12.444 9.750 317 HG22 THR 588 HG22 THR 588 4.175 -10.783 9.627 318 HG23 THR 588 HG23 THR 588 3.741 -11.962 8.387 319 H LYS 589 HN LYS 589 3.183 -14.579 12.238 320 HA LYS 589 HA LYS 589 0.894 -16.055 13.111 321 HB2 LYS 589 HB2 LYS 589 3.661 -15.591 14.163 322 HB3 LYS 589 HB1 LYS 589 2.457 -16.134 15.312 323 HG2 LYS 589 HG2 LYS 589 3.686 -18.028 14.500 324 HG3 LYS 589 HG1 LYS 589 2.019 -18.149 13.942 325 HD2 LYS 589 HD2 LYS 589 4.232 -17.059 12.159 326 HD3 LYS 589 HD1 LYS 589 3.939 -18.788 12.312 327 HE2 LYS 589 HE2 LYS 589 1.961 -16.732 11.270 328 HE3 LYS 589 HE1 LYS 589 2.838 -17.917 10.314 329 HZ1 LYS 589 HZ1 LYS 589 0.574 -18.604 10.729 330 HZ2 LYS 589 HZ2 LYS 589 0.815 -18.522 12.401 331 HZ3 LYS 589 HZ3 LYS 589 1.653 -19.665 11.481 332 H LYS 590 HN LYS 590 2.094 -12.832 13.795 333 HA LYS 590 HA LYS 590 0.496 -12.210 16.032 334 HB2 LYS 590 HB2 LYS 590 0.753 -9.830 15.349 335 HB3 LYS 590 HB1 LYS 590 2.285 -10.694 15.292 336 HG2 LYS 590 HG2 LYS 590 2.114 -10.871 12.837 337 HG3 LYS 590 HG1 LYS 590 0.552 -10.056 12.877 338 HD2 LYS 590 HD2 LYS 590 2.275 -8.475 12.209 339 HD3 LYS 590 HD1 LYS 590 1.645 -8.020 13.795 340 HE2 LYS 590 HE2 LYS 590 3.627 -9.045 14.870 341 HE3 LYS 590 HE1 LYS 590 4.249 -9.516 13.287 342 HZ1 LYS 590 HZ1 LYS 590 5.289 -7.512 14.066 343 HZ2 LYS 590 HZ2 LYS 590 3.795 -6.740 14.231 344 HZ3 LYS 590 HZ3 LYS 590 4.361 -7.173 12.696 345 H ASP 591 HN ASP 591 -0.114 -12.153 12.569 346 HA ASP 591 HA ASP 591 -2.779 -11.090 12.650 347 HB2 ASP 591 HB2 ASP 591 -0.968 -12.262 10.525 348 HB3 ASP 591 HB1 ASP 591 -2.680 -12.099 10.167 349 H CYS 592 HN CYS 592 -1.367 -14.327 12.564 350 HA CYS 592 HA CYS 592 -3.749 -15.789 12.007 351 HB2 CYS 592 HB2 CYS 592 -1.164 -16.689 13.351 352 HB3 CYS 592 HB1 CYS 592 -2.437 -17.777 12.793 353 HG CYS 592 HG CYS 592 -1.320 -15.696 10.425 354 H MET 593 HN MET 593 -2.093 -14.824 14.992 355 HA MET 593 HA MET 593 -3.905 -16.099 16.831 356 HB2 MET 593 HB2 MET 593 -1.854 -13.881 17.230 357 HB3 MET 593 HB1 MET 593 -2.780 -14.595 18.544 358 HG2 MET 593 HG2 MET 593 -1.750 -16.760 18.132 359 HG3 MET 593 HG1 MET 593 -0.882 -16.102 16.740 360 HE1 MET 593 HE1 MET 593 2.352 -15.901 18.644 361 HE2 MET 593 HE2 MET 593 1.608 -15.708 17.055 362 HE3 MET 593 HE3 MET 593 1.326 -17.180 18.000 363 H LYS 594 HN LYS 594 -3.533 -12.811 15.513 364 HA LYS 594 HA LYS 594 -5.532 -11.408 16.857 365 HB2 LYS 594 HB2 LYS 594 -4.367 -11.147 14.078 366 HB3 LYS 594 HB1 LYS 594 -5.827 -10.234 14.428 367 HG2 LYS 594 HG2 LYS 594 -3.230 -10.018 15.980 368 HG3 LYS 594 HG1 LYS 594 -3.767 -8.902 14.717 369 HD2 LYS 594 HD2 LYS 594 -5.796 -8.389 16.125 370 HD3 LYS 594 HD1 LYS 594 -5.128 -9.418 17.399 371 HE2 LYS 594 HE2 LYS 594 -3.170 -7.921 17.577 372 HE3 LYS 594 HE1 LYS 594 -3.818 -6.909 16.281 373 HZ1 LYS 594 HZ1 LYS 594 -5.777 -6.520 17.710 374 HZ2 LYS 594 HZ2 LYS 594 -4.336 -5.922 18.353 375 HZ3 LYS 594 HZ3 LYS 594 -5.000 -7.353 18.964 376 H ARG 595 HN ARG 595 -5.822 -13.183 13.801 377 HA ARG 595 HA ARG 595 -8.566 -12.633 13.419 378 HB2 ARG 595 HB2 ARG 595 -6.543 -13.505 11.783 379 HB3 ARG 595 HB1 ARG 595 -7.404 -15.012 12.022 380 HG2 ARG 595 HG2 ARG 595 -8.577 -12.445 10.914 381 HG3 ARG 595 HG1 ARG 595 -8.123 -13.869 9.975 382 HD2 ARG 595 HD2 ARG 595 -9.886 -15.169 11.021 383 HD3 ARG 595 HD1 ARG 595 -10.271 -13.855 12.137 384 HE ARG 595 HE ARG 595 -11.056 -14.106 9.369 385 HH11 ARG 595 HH11 ARG 595 -10.647 -11.797 12.010 386 HH12 ARG 595 HH12 ARG 595 -11.788 -10.679 11.338 387 HH21 ARG 595 HH21 ARG 595 -12.538 -12.628 8.519 388 HH22 ARG 595 HH22 ARG 595 -12.855 -11.147 9.370 389 H TYR 596 HN TYR 596 -6.861 -15.588 14.544 390 HA TYR 596 HA TYR 596 -9.103 -17.225 15.028 391 HB2 TYR 596 HB2 TYR 596 -6.893 -18.199 15.034 392 HB3 TYR 596 HB1 TYR 596 -6.374 -17.170 16.360 393 HD1 TYR 596 HD2 TYR 596 -8.995 -19.792 15.632 394 HD2 TYR 596 HD1 TYR 596 -6.311 -18.143 18.523 395 HE1 TYR 596 HE2 TYR 596 -9.598 -21.574 17.209 396 HE2 TYR 596 HE1 TYR 596 -6.919 -19.927 20.104 397 HH TYR 596 HH TYR 596 -8.780 -21.509 20.504 398 H LYS 597 HN LYS 597 -7.516 -14.823 17.106 399 HA LYS 597 HA LYS 597 -8.997 -15.384 19.476 400 HB2 LYS 597 HB2 LYS 597 -6.808 -14.070 19.356 401 HB3 LYS 597 HB1 LYS 597 -7.738 -12.704 18.753 402 HG2 LYS 597 HG2 LYS 597 -9.088 -12.780 20.903 403 HG3 LYS 597 HG1 LYS 597 -7.968 -14.022 21.484 404 HD2 LYS 597 HD2 LYS 597 -6.082 -12.347 21.099 405 HD3 LYS 597 HD1 LYS 597 -7.329 -11.134 20.775 406 HE2 LYS 597 HE2 LYS 597 -6.966 -12.665 23.386 407 HE3 LYS 597 HE1 LYS 597 -6.517 -10.984 23.099 408 HZ1 LYS 597 HZ1 LYS 597 -8.630 -11.174 24.261 409 HZ2 LYS 597 HZ2 LYS 597 -9.284 -12.063 22.983 410 HZ3 LYS 597 HZ3 LYS 597 -8.838 -10.452 22.748 411 H GLU 598 HN GLU 598 -9.449 -13.146 16.748 412 HA GLU 598 HA GLU 598 -11.662 -11.679 17.683 413 HB2 GLU 598 HB2 GLU 598 -10.785 -12.347 14.844 414 HB3 GLU 598 HB1 GLU 598 -12.129 -11.263 15.194 415 HG2 GLU 598 HG2 GLU 598 -10.629 -9.718 16.330 416 HG3 GLU 598 HG1 GLU 598 -9.273 -10.817 16.091 417 H LEU 599 HN LEU 599 -11.434 -14.799 15.988 418 HA LEU 599 HA LEU 599 -14.176 -15.270 15.474 419 HB2 LEU 599 HB2 LEU 599 -12.134 -17.407 16.207 420 HB3 LEU 599 HB1 LEU 599 -13.611 -17.632 15.276 421 HG LEU 599 HG LEU 599 -11.106 -16.158 14.385 422 HD11 LEU 599 HD11 LEU 599 -10.862 -17.927 12.726 423 HD12 LEU 599 HD12 LEU 599 -12.276 -18.755 13.381 424 HD13 LEU 599 HD13 LEU 599 -10.825 -18.567 14.370 425 HD21 LEU 599 HD21 LEU 599 -12.183 -15.876 12.186 426 HD22 LEU 599 HD22 LEU 599 -13.040 -15.006 13.455 427 HD23 LEU 599 HD23 LEU 599 -13.689 -16.527 12.837 428 H VAL 600 HN VAL 600 -12.126 -15.973 18.267 429 HA VAL 600 HA VAL 600 -14.098 -17.256 19.893 430 HB VAL 600 HB VAL 600 -11.467 -15.953 20.735 431 HG11 VAL 600 HG11 VAL 600 -12.949 -16.355 22.664 432 HG12 VAL 600 HG12 VAL 600 -11.558 -17.438 22.710 433 HG13 VAL 600 HG13 VAL 600 -13.132 -18.046 22.189 434 HG21 VAL 600 HG21 VAL 600 -11.088 -17.679 19.004 435 HG22 VAL 600 HG22 VAL 600 -11.988 -18.857 19.963 436 HG23 VAL 600 HG23 VAL 600 -10.461 -18.207 20.565 437 H GLU 601 HN GLU 601 -12.992 -13.907 19.550 438 HA GLU 601 HA GLU 601 -14.255 -12.773 21.822 439 HB2 GLU 601 HB2 GLU 601 -13.465 -11.454 19.184 440 HB3 GLU 601 HB1 GLU 601 -14.019 -10.575 20.608 441 HG2 GLU 601 HG2 GLU 601 -11.463 -12.181 20.344 442 HG3 GLU 601 HG1 GLU 601 -11.607 -10.430 20.391 443 H MET 602 HN MET 602 -15.221 -13.180 18.427 444 HA MET 602 HA MET 602 -17.634 -11.688 18.591 445 HB2 MET 602 HB2 MET 602 -16.650 -13.686 16.523 446 HB3 MET 602 HB1 MET 602 -18.168 -12.814 16.363 447 HG2 MET 602 HG2 MET 602 -16.916 -10.672 16.387 448 HG3 MET 602 HG1 MET 602 -15.405 -11.578 16.471 449 HE1 MET 602 HE1 MET 602 -16.193 -14.091 14.444 450 HE2 MET 602 HE2 MET 602 -14.620 -13.293 14.513 451 HE3 MET 602 HE3 MET 602 -15.462 -13.455 12.972 452 H VAL 603 HN VAL 603 -17.015 -15.261 18.529 453 HA VAL 603 HA VAL 603 -19.708 -16.036 18.641 454 HB VAL 603 HB VAL 603 -18.979 -18.259 19.509 455 HG11 VAL 603 HG11 VAL 603 -18.938 -17.849 17.092 456 HG12 VAL 603 HG12 VAL 603 -17.612 -18.918 17.552 457 HG13 VAL 603 HG13 VAL 603 -17.292 -17.217 17.199 458 HG21 VAL 603 HG21 VAL 603 -16.579 -18.774 19.836 459 HG22 VAL 603 HG22 VAL 603 -17.132 -17.568 21.000 460 HG23 VAL 603 HG23 VAL 603 -16.172 -17.073 19.603 461 H LYS 604 HN LYS 604 -17.431 -15.441 21.361 462 HA LYS 604 HA LYS 604 -19.280 -16.165 23.418 463 HB2 LYS 604 HB2 LYS 604 -16.713 -14.538 23.513 464 HB3 LYS 604 HB1 LYS 604 -17.636 -14.969 24.952 465 HG2 LYS 604 HG2 LYS 604 -17.301 -17.378 24.406 466 HG3 LYS 604 HG1 LYS 604 -16.314 -16.901 23.017 467 HD2 LYS 604 HD2 LYS 604 -14.688 -15.825 24.516 468 HD3 LYS 604 HD1 LYS 604 -15.690 -16.204 25.922 469 HE2 LYS 604 HE2 LYS 604 -15.335 -18.619 25.514 470 HE3 LYS 604 HE1 LYS 604 -14.351 -18.241 24.097 471 HZ1 LYS 604 HZ1 LYS 604 -12.972 -18.716 25.996 472 HZ2 LYS 604 HZ2 LYS 604 -13.727 -17.513 26.908 473 HZ3 LYS 604 HZ3 LYS 604 -12.792 -17.091 25.564 474 H ALA 605 HN ALA 605 -18.516 -13.112 21.801 475 HA ALA 605 HA ALA 605 -19.853 -11.342 23.581 476 HB1 ALA 605 HB1 ALA 605 -19.721 -9.684 21.756 477 HB2 ALA 605 HB2 ALA 605 -19.292 -10.961 20.612 478 HB3 ALA 605 HB3 ALA 605 -18.191 -10.548 21.928 479 H LYS 606 HN LYS 606 -20.867 -12.904 20.567 480 HA LYS 606 HA LYS 606 -23.479 -11.792 20.390 481 HB2 LYS 606 HB2 LYS 606 -22.316 -14.314 19.126 482 HB3 LYS 606 HB1 LYS 606 -23.824 -13.541 18.631 483 HG2 LYS 606 HG2 LYS 606 -22.661 -11.618 17.790 484 HG3 LYS 606 HG1 LYS 606 -21.145 -12.123 18.537 485 HD2 LYS 606 HD2 LYS 606 -21.027 -12.562 16.152 486 HD3 LYS 606 HD1 LYS 606 -21.073 -14.103 17.014 487 HE2 LYS 606 HE2 LYS 606 -22.515 -14.252 15.072 488 HE3 LYS 606 HE1 LYS 606 -23.536 -14.239 16.510 489 HZ1 LYS 606 HZ1 LYS 606 -23.909 -11.860 16.128 490 HZ2 LYS 606 HZ2 LYS 606 -24.444 -12.804 14.833 491 HZ3 LYS 606 HZ3 LYS 606 -22.997 -11.941 14.710 492 H LYS 607 HN LYS 607 -22.175 -14.760 21.825 493 HA LYS 607 HA LYS 607 -24.609 -16.056 22.501 494 HB2 LYS 607 HB2 LYS 607 -21.792 -16.245 23.628 495 HB3 LYS 607 HB1 LYS 607 -23.111 -17.169 24.336 496 HG2 LYS 607 HG2 LYS 607 -23.438 -18.442 22.339 497 HG3 LYS 607 HG1 LYS 607 -22.388 -17.375 21.400 498 HD2 LYS 607 HD2 LYS 607 -20.435 -18.126 22.694 499 HD3 LYS 607 HD1 LYS 607 -21.468 -19.145 23.700 500 HE2 LYS 607 HE2 LYS 607 -21.134 -19.509 20.696 501 HE3 LYS 607 HE1 LYS 607 -20.213 -20.392 21.914 502 HZ1 LYS 607 HZ1 LYS 607 -22.249 -21.341 22.761 503 HZ2 LYS 607 HZ2 LYS 607 -22.133 -21.649 21.103 504 HZ3 LYS 607 HZ3 LYS 607 -23.174 -20.446 21.666 505 H ALA 608 HN ALA 608 -22.435 -13.990 24.470 506 HA ALA 608 HA ALA 608 -23.919 -14.031 26.863 507 HB1 ALA 608 HB1 ALA 608 -21.968 -11.913 25.889 508 HB2 ALA 608 HB2 ALA 608 -21.535 -13.393 26.745 509 HB3 ALA 608 HB3 ALA 608 -22.488 -12.156 27.563 510 H ALA 609 HN ALA 609 -23.948 -11.772 24.152 511 HA ALA 609 HA ALA 609 -25.646 -9.788 25.216 512 HB1 ALA 609 HB1 ALA 609 -25.878 -9.014 22.889 513 HB2 ALA 609 HB2 ALA 609 -25.176 -10.532 22.311 514 HB3 ALA 609 HB3 ALA 609 -24.201 -9.413 23.264 515 H GLN 610 HN GLN 610 -26.322 -12.613 23.158 516 HA GLN 610 HA GLN 610 -29.158 -12.216 22.990 517 HB2 GLN 610 HB2 GLN 610 -27.838 -13.467 21.290 518 HB3 GLN 610 HB1 GLN 610 -27.484 -14.714 22.477 519 HG2 GLN 610 HG2 GLN 610 -29.853 -15.319 22.587 520 HG3 GLN 610 HG1 GLN 610 -30.263 -14.030 21.457 521 HE21 GLN 610 HE21 GLN 610 -29.635 -14.248 19.267 522 HE22 GLN 610 HE22 GLN 610 -29.285 -15.795 18.582 523 H GLU 611 HN GLU 611 -27.026 -13.792 25.245 524 HA GLU 611 HA GLU 611 -28.773 -15.788 26.255 525 HB2 GLU 611 HB2 GLU 611 -26.236 -15.790 26.432 526 HB3 GLU 611 HB1 GLU 611 -26.370 -14.568 27.692 527 HG2 GLU 611 HG2 GLU 611 -26.062 -16.710 28.739 528 HG3 GLU 611 HG1 GLU 611 -27.710 -16.177 29.053 529 H GLN 612 HN GLN 612 -27.761 -12.609 27.550 530 HA GLN 612 HA GLN 612 -29.283 -12.765 29.946 531 HB2 GLN 612 HB2 GLN 612 -28.162 -10.298 28.555 532 HB3 GLN 612 HB1 GLN 612 -28.713 -10.369 30.232 533 HG2 GLN 612 HG2 GLN 612 -26.345 -11.852 29.042 534 HG3 GLN 612 HG1 GLN 612 -26.274 -10.461 30.120 535 HE21 GLN 612 HE21 GLN 612 -26.695 -10.756 32.336 536 HE22 GLN 612 HE22 GLN 612 -26.747 -12.321 33.066 537 H VAL 613 HN VAL 613 -30.032 -11.544 26.740 538 HA VAL 613 HA VAL 613 -32.533 -10.290 27.361 539 HB VAL 613 HB VAL 613 -31.579 -11.449 24.695 540 HG11 VAL 613 HG11 VAL 613 -33.225 -9.930 23.630 541 HG12 VAL 613 HG12 VAL 613 -33.788 -9.416 25.222 542 HG13 VAL 613 HG13 VAL 613 -34.026 -11.085 24.704 543 HG21 VAL 613 HG21 VAL 613 -30.007 -9.742 25.529 544 HG22 VAL 613 HG22 VAL 613 -31.334 -8.599 25.746 545 HG23 VAL 613 HG23 VAL 613 -30.887 -9.134 24.124 546 H LEU 614 HN LEU 614 -31.530 -13.578 26.534 547 HA LEU 614 HA LEU 614 -34.221 -14.632 26.302 548 HB2 LEU 614 HB2 LEU 614 -32.273 -15.524 24.994 549 HB3 LEU 614 HB1 LEU 614 -31.564 -16.112 26.486 550 HG LEU 614 HG LEU 614 -33.419 -17.719 26.775 551 HD11 LEU 614 HD11 LEU 614 -35.247 -16.449 25.769 552 HD12 LEU 614 HD12 LEU 614 -35.126 -18.047 25.039 553 HD13 LEU 614 HD13 LEU 614 -34.527 -16.632 24.166 554 HD21 LEU 614 HD21 LEU 614 -32.908 -19.224 24.901 555 HD22 LEU 614 HD22 LEU 614 -31.446 -18.440 25.496 556 HD23 LEU 614 HD23 LEU 614 -32.195 -17.884 23.996 557 H ASN 615 HN ASN 615 -31.818 -14.289 28.876 558 HA ASN 615 HA ASN 615 -33.068 -16.025 30.789 559 HB2 ASN 615 HB2 ASN 615 -31.169 -13.675 31.177 560 HB3 ASN 615 HB1 ASN 615 -31.762 -14.647 32.515 561 HD21 ASN 615 HD21 ASN 615 -31.305 -17.055 32.299 562 HD22 ASN 615 HD22 ASN 615 -29.768 -17.503 31.665 563 H ALA 616 HN ALA 616 -33.595 -12.771 29.695 564 HA ALA 616 HA ALA 616 -35.269 -11.795 31.758 565 HB1 ALA 616 HB1 ALA 616 -35.916 -10.055 30.161 566 HB2 ALA 616 HB2 ALA 616 -35.220 -10.993 28.835 567 HB3 ALA 616 HB3 ALA 616 -34.174 -10.337 30.095 568 H SER 617 HN SER 617 -35.873 -14.084 29.229 569 HA SER 617 HA SER 617 -38.661 -13.795 28.849 570 HB2 SER 617 HB2 SER 617 -37.174 -15.126 27.354 571 HB3 SER 617 HB1 SER 617 -36.982 -16.331 28.621 572 HG SER 617 HG SER 617 -38.899 -16.135 26.801 573 H ARG 618 HN ARG 618 -36.770 -15.428 31.311 574 HA ARG 618 HA ARG 618 -39.226 -16.266 32.748 575 HB2 ARG 618 HB2 ARG 618 -37.857 -18.068 33.831 576 HB3 ARG 618 HB1 ARG 618 -38.057 -18.284 32.101 577 HG2 ARG 618 HG2 ARG 618 -35.541 -17.009 33.217 578 HG3 ARG 618 HG1 ARG 618 -35.728 -18.765 33.179 579 HD2 ARG 618 HD2 ARG 618 -35.795 -16.893 30.773 580 HD3 ARG 618 HD1 ARG 618 -34.480 -17.994 31.214 581 HE ARG 618 HE ARG 618 -36.887 -19.452 30.943 582 HH11 ARG 618 HH11 ARG 618 -34.527 -17.845 28.878 583 HH12 ARG 618 HH12 ARG 618 -34.872 -18.871 27.525 584 HH21 ARG 618 HH21 ARG 618 -37.290 -20.767 29.177 585 HH22 ARG 618 HH22 ARG 618 -36.440 -20.505 27.683 586 H ALA 619 HN ALA 619 -37.365 -13.783 32.752 587 HA ALA 619 HA ALA 619 -36.346 -13.576 35.431 588 HB1 ALA 619 HB1 ALA 619 -36.037 -11.187 34.922 589 HB2 ALA 619 HB2 ALA 619 -36.984 -11.364 33.442 590 HB3 ALA 619 HB3 ALA 619 -35.435 -12.196 33.604 591 H LYS 620 HN LYS 620 -37.134 -11.753 36.876 592 HA LYS 620 HA LYS 620 -38.596 -10.921 38.350 593 HB2 LYS 620 HB2 LYS 620 -40.443 -11.014 35.958 594 HB3 LYS 620 HB1 LYS 620 -41.093 -10.598 37.531 595 HG2 LYS 620 HG2 LYS 620 -40.617 -8.592 36.223 596 HG3 LYS 620 HG1 LYS 620 -39.618 -8.641 37.677 597 HD2 LYS 620 HD2 LYS 620 -37.679 -9.363 36.338 598 HD3 LYS 620 HD1 LYS 620 -38.673 -9.408 34.878 599 HE2 LYS 620 HE2 LYS 620 -39.006 -6.984 34.999 600 HE3 LYS 620 HE1 LYS 620 -38.131 -6.914 36.530 601 HZ1 LYS 620 HZ1 LYS 620 -36.783 -6.227 34.638 602 HZ2 LYS 620 HZ2 LYS 620 -36.957 -7.758 33.937 603 HZ3 LYS 620 HZ3 LYS 620 -36.129 -7.586 35.407 604 H LYS 621 HN LYS 621 -38.588 -14.053 37.482 605 HA LYS 621 HA LYS 621 -40.929 -14.955 38.983 606 HB2 LYS 621 HB2 LYS 621 -40.441 -16.102 36.865 607 HB3 LYS 621 HB1 LYS 621 -38.819 -16.496 37.414 608 HG2 LYS 621 HG2 LYS 621 -40.276 -18.458 37.508 609 HG3 LYS 621 HG1 LYS 621 -39.725 -18.008 39.125 610 HD2 LYS 621 HD2 LYS 621 -41.940 -16.860 39.492 611 HD3 LYS 621 HD1 LYS 621 -42.472 -17.462 37.915 612 HE2 LYS 621 HE2 LYS 621 -41.632 -19.187 40.279 613 HE3 LYS 621 HE1 LYS 621 -43.295 -18.878 39.772 614 HZ1 LYS 621 HZ1 LYS 621 -42.840 -19.994 37.689 615 HZ2 LYS 621 HZ2 LYS 621 -42.469 -21.018 38.979 616 HZ3 LYS 621 HZ3 LYS 621 -41.229 -20.249 38.126 Start of MODEL 19 1 H PHE 551 HN PHE 551 -0.247 -3.363 1.870 2 HA PHE 551 HA PHE 551 0.384 -6.134 2.528 3 HB2 PHE 551 HB2 PHE 551 1.261 -4.944 4.504 4 HB3 PHE 551 HB1 PHE 551 -0.250 -4.065 4.698 5 HD1 PHE 551 HD2 PHE 551 1.309 -7.455 4.930 6 HD2 PHE 551 HD1 PHE 551 -2.082 -5.039 5.920 7 HE1 PHE 551 HE2 PHE 551 0.482 -9.224 6.430 8 HE2 PHE 551 HE1 PHE 551 -2.906 -6.809 7.416 9 HZ PHE 551 HZ PHE 551 -1.626 -8.904 7.674 10 H THR 552 HN THR 552 -1.356 -7.066 1.556 11 HA THR 552 HA THR 552 -4.024 -5.968 1.647 12 HB THR 552 HB THR 552 -4.659 -8.268 0.641 13 HG1 THR 552 HG1 THR 552 -2.084 -8.790 -0.124 14 HG21 THR 552 HG21 THR 552 -4.309 -6.292 -0.816 15 HG22 THR 552 HG22 THR 552 -3.731 -7.769 -1.587 16 HG23 THR 552 HG23 THR 552 -2.578 -6.642 -0.873 17 HA PRO 553 HA PRO 553 -5.190 -8.135 5.500 18 HB2 PRO 553 HB2 PRO 553 -8.021 -7.649 4.726 19 HB3 PRO 553 HB1 PRO 553 -7.106 -6.991 6.089 20 HG2 PRO 553 HG2 PRO 553 -7.854 -5.446 3.991 21 HG3 PRO 553 HG1 PRO 553 -6.336 -5.155 4.872 22 HD2 PRO 553 HD2 PRO 553 -6.758 -6.607 2.247 23 HD3 PRO 553 HD1 PRO 553 -5.537 -5.383 2.677 24 H TRP 554 HN TRP 554 -7.218 -9.740 5.922 25 HA TRP 554 HA TRP 554 -6.574 -12.166 4.649 26 HB2 TRP 554 HB2 TRP 554 -8.932 -11.410 6.430 27 HB3 TRP 554 HB1 TRP 554 -8.542 -13.068 5.972 28 HD1 TRP 554 HD1 TRP 554 -7.625 -10.392 8.486 29 HE1 TRP 554 HE1 TRP 554 -5.796 -11.289 10.059 30 HE3 TRP 554 HE3 TRP 554 -6.410 -14.672 5.958 31 HZ2 TRP 554 HZ2 TRP 554 -4.037 -13.491 10.178 32 HZ3 TRP 554 HZ3 TRP 554 -4.635 -16.118 6.865 33 HH2 TRP 554 HH2 TRP 554 -3.476 -15.539 8.938 34 H THR 555 HN THR 555 -6.995 -12.456 2.524 35 HA THR 555 HA THR 555 -9.551 -11.737 1.305 36 HB THR 555 HB THR 555 -8.562 -12.731 -0.765 37 HG1 THR 555 HG1 THR 555 -6.875 -13.968 -0.631 38 HG21 THR 555 HG21 THR 555 -8.164 -10.346 -0.314 39 HG22 THR 555 HG22 THR 555 -6.771 -11.073 -1.118 40 HG23 THR 555 HG23 THR 555 -6.717 -10.747 0.618 41 H THR 556 HN THR 556 -10.380 -13.748 -0.212 42 HA THR 556 HA THR 556 -11.829 -15.304 1.577 43 HB THR 556 HB THR 556 -11.362 -15.921 -1.373 44 HG1 THR 556 HG1 THR 556 -13.327 -14.288 -0.106 45 HG21 THR 556 HG21 THR 556 -13.608 -16.971 -1.279 46 HG22 THR 556 HG22 THR 556 -13.680 -16.680 0.460 47 HG23 THR 556 HG23 THR 556 -12.482 -17.795 -0.200 48 H GLU 557 HN GLU 557 -9.111 -16.349 -0.499 49 HA GLU 557 HA GLU 557 -9.038 -19.048 0.411 50 HB2 GLU 557 HB2 GLU 557 -6.680 -19.114 -0.614 51 HB3 GLU 557 HB1 GLU 557 -8.005 -18.773 -1.706 52 HG2 GLU 557 HG2 GLU 557 -6.386 -16.523 -0.518 53 HG3 GLU 557 HG1 GLU 557 -5.777 -17.412 -1.913 54 H GLU 558 HN GLU 558 -7.129 -16.149 1.339 55 HA GLU 558 HA GLU 558 -5.301 -17.396 3.080 56 HB2 GLU 558 HB2 GLU 558 -6.415 -14.561 3.299 57 HB3 GLU 558 HB1 GLU 558 -4.916 -15.143 4.032 58 HG2 GLU 558 HG2 GLU 558 -5.520 -14.852 1.087 59 HG3 GLU 558 HG1 GLU 558 -4.412 -13.873 2.040 60 H GLN 559 HN GLN 559 -8.519 -16.159 3.625 61 HA GLN 559 HA GLN 559 -8.512 -16.223 6.473 62 HB2 GLN 559 HB2 GLN 559 -9.946 -14.702 5.112 63 HB3 GLN 559 HB1 GLN 559 -10.846 -16.088 4.514 64 HG2 GLN 559 HG2 GLN 559 -12.029 -14.843 6.303 65 HG3 GLN 559 HG1 GLN 559 -11.733 -16.532 6.728 66 HE21 GLN 559 HE21 GLN 559 -10.367 -17.009 8.443 67 HE22 GLN 559 HE22 GLN 559 -9.728 -15.804 9.503 68 H LYS 560 HN LYS 560 -9.782 -18.375 3.930 69 HA LYS 560 HA LYS 560 -10.985 -20.217 5.789 70 HB2 LYS 560 HB2 LYS 560 -11.608 -21.539 3.886 71 HB3 LYS 560 HB1 LYS 560 -11.844 -19.849 3.458 72 HG2 LYS 560 HG2 LYS 560 -9.617 -19.946 2.261 73 HG3 LYS 560 HG1 LYS 560 -9.611 -21.689 2.541 74 HD2 LYS 560 HD2 LYS 560 -11.682 -20.115 0.947 75 HD3 LYS 560 HD1 LYS 560 -10.429 -21.164 0.280 76 HE2 LYS 560 HE2 LYS 560 -12.766 -22.046 2.009 77 HE3 LYS 560 HE1 LYS 560 -12.596 -22.300 0.273 78 HZ1 LYS 560 HZ1 LYS 560 -10.935 -23.489 2.423 79 HZ2 LYS 560 HZ2 LYS 560 -10.583 -23.620 0.775 80 HZ3 LYS 560 HZ3 LYS 560 -12.007 -24.298 1.384 81 H LEU 561 HN LEU 561 -7.829 -19.923 4.270 82 HA LEU 561 HA LEU 561 -6.844 -22.567 4.855 83 HB2 LEU 561 HB2 LEU 561 -5.388 -19.947 4.288 84 HB3 LEU 561 HB1 LEU 561 -4.548 -21.471 4.534 85 HG LEU 561 HG LEU 561 -6.475 -20.860 2.256 86 HD11 LEU 561 HD11 LEU 561 -4.356 -19.662 2.009 87 HD12 LEU 561 HD12 LEU 561 -4.499 -20.936 0.803 88 HD13 LEU 561 HD13 LEU 561 -3.449 -21.167 2.206 89 HD21 LEU 561 HD21 LEU 561 -6.616 -23.214 2.902 90 HD22 LEU 561 HD22 LEU 561 -4.864 -23.380 2.773 91 HD23 LEU 561 HD23 LEU 561 -5.828 -23.045 1.332 92 H LEU 562 HN LEU 562 -6.881 -19.438 6.498 93 HA LEU 562 HA LEU 562 -5.215 -20.067 8.694 94 HB2 LEU 562 HB2 LEU 562 -5.863 -17.753 8.008 95 HB3 LEU 562 HB1 LEU 562 -7.502 -18.055 8.527 96 HG LEU 562 HG LEU 562 -5.847 -16.650 10.041 97 HD11 LEU 562 HD11 LEU 562 -7.043 -17.300 12.078 98 HD12 LEU 562 HD12 LEU 562 -7.648 -18.747 11.267 99 HD13 LEU 562 HD13 LEU 562 -8.125 -17.152 10.690 100 HD21 LEU 562 HD21 LEU 562 -5.090 -19.445 10.956 101 HD22 LEU 562 HD22 LEU 562 -4.625 -17.923 11.723 102 HD23 LEU 562 HD23 LEU 562 -4.033 -18.313 10.109 103 H GLU 563 HN GLU 563 -8.759 -20.098 8.354 104 HA GLU 563 HA GLU 563 -9.321 -21.174 10.928 105 HB2 GLU 563 HB2 GLU 563 -11.005 -21.019 8.403 106 HB3 GLU 563 HB1 GLU 563 -11.628 -21.481 9.991 107 HG2 GLU 563 HG2 GLU 563 -10.984 -19.281 10.891 108 HG3 GLU 563 HG1 GLU 563 -10.355 -18.811 9.311 109 H GLN 564 HN GLN 564 -8.694 -22.638 7.796 110 HA GLN 564 HA GLN 564 -9.387 -25.326 8.360 111 HB2 GLN 564 HB2 GLN 564 -8.875 -24.609 6.052 112 HB3 GLN 564 HB1 GLN 564 -7.224 -24.213 6.510 113 HG2 GLN 564 HG2 GLN 564 -7.226 -26.311 5.299 114 HG3 GLN 564 HG1 GLN 564 -6.797 -26.624 6.981 115 HE21 GLN 564 HE21 GLN 564 -7.432 -28.769 6.965 116 HE22 GLN 564 HE22 GLN 564 -9.080 -29.271 6.821 117 H ALA 565 HN ALA 565 -6.389 -23.490 8.771 118 HA ALA 565 HA ALA 565 -4.761 -25.594 9.771 119 HB1 ALA 565 HB1 ALA 565 -3.879 -23.545 8.687 120 HB2 ALA 565 HB2 ALA 565 -3.154 -23.821 10.270 121 HB3 ALA 565 HB3 ALA 565 -4.403 -22.586 10.073 122 H LEU 566 HN LEU 566 -6.978 -23.337 11.304 123 HA LEU 566 HA LEU 566 -6.168 -23.727 14.019 124 HB2 LEU 566 HB2 LEU 566 -8.856 -22.851 12.917 125 HB3 LEU 566 HB1 LEU 566 -8.375 -22.742 14.607 126 HG LEU 566 HG LEU 566 -7.094 -21.211 12.304 127 HD11 LEU 566 HD11 LEU 566 -8.969 -20.261 14.476 128 HD12 LEU 566 HD12 LEU 566 -9.304 -20.369 12.747 129 HD13 LEU 566 HD13 LEU 566 -8.110 -19.220 13.341 130 HD21 LEU 566 HD21 LEU 566 -5.439 -21.702 14.042 131 HD22 LEU 566 HD22 LEU 566 -6.502 -21.024 15.275 132 HD23 LEU 566 HD23 LEU 566 -5.836 -19.981 14.016 133 H LYS 567 HN LYS 567 -8.215 -25.516 11.847 134 HA LYS 567 HA LYS 567 -9.388 -27.173 13.950 135 HB2 LYS 567 HB2 LYS 567 -10.844 -26.462 12.118 136 HB3 LYS 567 HB1 LYS 567 -9.753 -27.163 10.925 137 HG2 LYS 567 HG2 LYS 567 -10.253 -29.418 11.750 138 HG3 LYS 567 HG1 LYS 567 -11.287 -28.752 13.016 139 HD2 LYS 567 HD2 LYS 567 -11.791 -28.429 10.030 140 HD3 LYS 567 HD1 LYS 567 -12.548 -29.658 11.044 141 HE2 LYS 567 HE2 LYS 567 -12.857 -26.649 11.378 142 HE3 LYS 567 HE1 LYS 567 -14.056 -27.745 10.697 143 HZ1 LYS 567 HZ1 LYS 567 -14.177 -28.876 12.833 144 HZ2 LYS 567 HZ2 LYS 567 -14.563 -27.236 12.984 145 HZ3 LYS 567 HZ3 LYS 567 -13.051 -27.798 13.489 146 H THR 568 HN THR 568 -7.256 -27.549 11.114 147 HA THR 568 HA THR 568 -6.768 -30.310 11.257 148 HB THR 568 HB THR 568 -5.014 -28.107 10.072 149 HG1 THR 568 HG1 THR 568 -7.396 -28.946 9.347 150 HG21 THR 568 HG21 THR 568 -4.070 -29.880 8.620 151 HG22 THR 568 HG22 THR 568 -4.983 -31.100 9.505 152 HG23 THR 568 HG23 THR 568 -3.707 -30.191 10.319 153 H TYR 569 HN TYR 569 -4.853 -27.553 12.440 154 HA TYR 569 HA TYR 569 -3.261 -29.309 14.197 155 HB2 TYR 569 HB2 TYR 569 -2.831 -26.314 13.775 156 HB3 TYR 569 HB1 TYR 569 -1.672 -27.506 14.364 157 HD1 TYR 569 HD2 TYR 569 -1.262 -29.542 12.532 158 HD2 TYR 569 HD1 TYR 569 -2.487 -25.550 11.591 159 HE1 TYR 569 HE2 TYR 569 -0.416 -29.812 10.233 160 HE2 TYR 569 HE1 TYR 569 -1.652 -25.836 9.306 161 HH TYR 569 HH TYR 569 -0.020 -27.175 8.109 162 HA PRO 570 HA PRO 570 -6.313 -27.780 17.288 163 HB2 PRO 570 HB2 PRO 570 -5.515 -29.357 19.384 164 HB3 PRO 570 HB1 PRO 570 -6.532 -29.958 18.068 165 HG2 PRO 570 HG2 PRO 570 -3.551 -30.251 18.436 166 HG3 PRO 570 HG1 PRO 570 -4.739 -31.481 17.951 167 HD2 PRO 570 HD2 PRO 570 -3.164 -30.198 16.135 168 HD3 PRO 570 HD1 PRO 570 -4.819 -30.718 15.745 169 H VAL 571 HN VAL 571 -6.156 -26.478 19.176 170 HA VAL 571 HA VAL 571 -3.954 -24.722 19.363 171 HB VAL 571 HB VAL 571 -6.251 -24.024 19.912 172 HG11 VAL 571 HG11 VAL 571 -7.395 -24.722 21.997 173 HG12 VAL 571 HG12 VAL 571 -6.060 -25.810 22.377 174 HG13 VAL 571 HG13 VAL 571 -7.062 -26.113 20.959 175 HG21 VAL 571 HG21 VAL 571 -4.381 -22.705 20.869 176 HG22 VAL 571 HG22 VAL 571 -4.421 -23.699 22.327 177 HG23 VAL 571 HG23 VAL 571 -5.795 -22.665 21.928 178 H ASN 572 HN ASN 572 -4.508 -27.781 20.789 179 HA ASN 572 HA ASN 572 -3.016 -27.635 23.215 180 HB2 ASN 572 HB2 ASN 572 -3.651 -30.103 21.531 181 HB3 ASN 572 HB1 ASN 572 -3.248 -30.087 23.246 182 HD21 ASN 572 HD21 ASN 572 -4.824 -29.354 24.734 183 HD22 ASN 572 HD22 ASN 572 -6.491 -29.223 24.302 184 H THR 573 HN THR 573 -2.100 -28.088 19.875 185 HA THR 573 HA THR 573 0.361 -29.469 20.194 186 HB THR 573 HB THR 573 -0.500 -27.639 17.897 187 HG1 THR 573 HG1 THR 573 -1.438 -30.064 18.754 188 HG21 THR 573 HG21 THR 573 0.938 -29.056 16.475 189 HG22 THR 573 HG22 THR 573 1.412 -30.011 17.879 190 HG23 THR 573 HG23 THR 573 1.901 -28.319 17.763 191 HA PRO 574 HA PRO 574 2.992 -25.920 21.512 192 HB2 PRO 574 HB2 PRO 574 5.449 -27.097 21.249 193 HB3 PRO 574 HB1 PRO 574 4.357 -27.480 22.586 194 HG2 PRO 574 HG2 PRO 574 4.778 -29.000 20.007 195 HG3 PRO 574 HG1 PRO 574 4.721 -29.631 21.669 196 HD2 PRO 574 HD2 PRO 574 2.567 -29.764 20.036 197 HD3 PRO 574 HD1 PRO 574 2.382 -29.491 21.781 198 H GLU 575 HN GLU 575 3.300 -27.677 18.494 199 HA GLU 575 HA GLU 575 4.811 -25.559 17.112 200 HB2 GLU 575 HB2 GLU 575 3.847 -28.286 16.127 201 HB3 GLU 575 HB1 GLU 575 4.972 -27.222 15.290 202 HG2 GLU 575 HG2 GLU 575 6.666 -27.574 16.993 203 HG3 GLU 575 HG1 GLU 575 5.528 -28.493 17.985 204 H ARG 576 HN ARG 576 1.989 -25.264 18.026 205 HA ARG 576 HA ARG 576 0.018 -25.829 16.158 206 HB2 ARG 576 HB2 ARG 576 -0.186 -25.100 18.607 207 HB3 ARG 576 HB1 ARG 576 -0.002 -23.446 18.065 208 HG2 ARG 576 HG2 ARG 576 -2.179 -25.048 16.778 209 HG3 ARG 576 HG1 ARG 576 -2.392 -24.655 18.477 210 HD2 ARG 576 HD2 ARG 576 -2.003 -22.213 17.833 211 HD3 ARG 576 HD1 ARG 576 -2.128 -22.733 16.149 212 HE ARG 576 HE ARG 576 -4.259 -22.347 18.006 213 HH11 ARG 576 HH11 ARG 576 -3.363 -24.146 15.138 214 HH12 ARG 576 HH12 ARG 576 -4.972 -24.691 14.813 215 HH21 ARG 576 HH21 ARG 576 -6.404 -23.011 17.531 216 HH22 ARG 576 HH22 ARG 576 -6.695 -24.031 16.161 217 H TRP 577 HN TRP 577 1.520 -22.644 16.749 218 HA TRP 577 HA TRP 577 0.392 -21.434 14.410 219 HB2 TRP 577 HB2 TRP 577 2.497 -20.429 16.376 220 HB3 TRP 577 HB1 TRP 577 1.743 -19.441 15.126 221 HD1 TRP 577 HD1 TRP 577 1.202 -20.594 18.660 222 HE1 TRP 577 HE1 TRP 577 -1.119 -19.829 19.474 223 HE3 TRP 577 HE3 TRP 577 -0.787 -19.082 14.187 224 HZ2 TRP 577 HZ2 TRP 577 -3.479 -18.758 18.374 225 HZ3 TRP 577 HZ3 TRP 577 -3.089 -18.207 14.153 226 HH2 TRP 577 HH2 TRP 577 -4.398 -18.050 16.207 227 H LYS 578 HN LYS 578 3.348 -23.110 15.097 228 HA LYS 578 HA LYS 578 4.989 -22.035 13.017 229 HB2 LYS 578 HB2 LYS 578 5.193 -24.782 14.326 230 HB3 LYS 578 HB1 LYS 578 6.453 -23.969 13.402 231 HG2 LYS 578 HG2 LYS 578 5.356 -23.151 16.109 232 HG3 LYS 578 HG1 LYS 578 6.968 -23.772 15.756 233 HD2 LYS 578 HD2 LYS 578 5.839 -21.096 14.825 234 HD3 LYS 578 HD1 LYS 578 7.009 -21.320 16.123 235 HE2 LYS 578 HE2 LYS 578 8.689 -22.109 14.530 236 HE3 LYS 578 HE1 LYS 578 7.513 -22.060 13.213 237 HZ1 LYS 578 HZ1 LYS 578 8.530 -19.741 14.748 238 HZ2 LYS 578 HZ2 LYS 578 7.356 -19.664 13.533 239 HZ3 LYS 578 HZ3 LYS 578 8.931 -20.153 13.158 240 H LYS 579 HN LYS 579 2.768 -24.762 13.218 241 HA LYS 579 HA LYS 579 3.204 -25.643 10.503 242 HB2 LYS 579 HB2 LYS 579 1.118 -26.452 12.567 243 HB3 LYS 579 HB1 LYS 579 1.329 -27.233 10.997 244 HG2 LYS 579 HG2 LYS 579 3.678 -27.798 11.645 245 HG3 LYS 579 HG1 LYS 579 3.363 -27.131 13.251 246 HD2 LYS 579 HD2 LYS 579 1.668 -28.844 13.665 247 HD3 LYS 579 HD1 LYS 579 1.841 -29.464 12.019 248 HE2 LYS 579 HE2 LYS 579 4.268 -29.983 12.575 249 HE3 LYS 579 HE1 LYS 579 3.905 -29.557 14.249 250 HZ1 LYS 579 HZ1 LYS 579 2.321 -31.330 14.354 251 HZ2 LYS 579 HZ2 LYS 579 3.801 -31.938 13.803 252 HZ3 LYS 579 HZ3 LYS 579 2.534 -31.686 12.712 253 H ILE 580 HN ILE 580 1.000 -23.463 12.152 254 HA ILE 580 HA ILE 580 -0.852 -23.110 9.987 255 HB ILE 580 HB ILE 580 -0.174 -21.284 12.336 256 HG12 ILE 580 HG12 ILE 580 -2.520 -23.160 11.825 257 HG13 ILE 580 HG11 ILE 580 -1.231 -23.414 12.987 258 HG21 ILE 580 HG21 ILE 580 -2.471 -20.931 10.373 259 HG22 ILE 580 HG22 ILE 580 -1.058 -19.882 10.505 260 HG23 ILE 580 HG23 ILE 580 -2.208 -19.979 11.837 261 HD11 ILE 580 HD11 ILE 580 -3.314 -21.242 13.094 262 HD12 ILE 580 HD12 ILE 580 -2.027 -21.499 14.275 263 HD13 ILE 580 HD13 ILE 580 -3.280 -22.718 14.058 264 H ALA 581 HN ALA 581 2.272 -21.660 10.800 265 HA ALA 581 HA ALA 581 2.523 -19.732 8.798 266 HB1 ALA 581 HB1 ALA 581 4.727 -21.573 9.792 267 HB2 ALA 581 HB2 ALA 581 4.200 -20.089 10.585 268 HB3 ALA 581 HB3 ALA 581 4.939 -20.009 8.987 269 H GLU 582 HN GLU 582 2.972 -23.232 8.626 270 HA GLU 582 HA GLU 582 3.910 -23.309 5.909 271 HB2 GLU 582 HB2 GLU 582 2.783 -25.567 7.628 272 HB3 GLU 582 HB1 GLU 582 3.750 -25.764 6.165 273 HG2 GLU 582 HG2 GLU 582 5.664 -24.675 7.322 274 HG3 GLU 582 HG1 GLU 582 4.687 -24.556 8.787 275 H ALA 583 HN ALA 583 0.800 -23.624 7.517 276 HA ALA 583 HA ALA 583 -0.662 -24.512 5.164 277 HB1 ALA 583 HB1 ALA 583 -1.691 -23.638 7.894 278 HB2 ALA 583 HB2 ALA 583 -1.297 -25.291 7.414 279 HB3 ALA 583 HB3 ALA 583 -2.629 -24.445 6.629 280 H VAL 584 HN VAL 584 0.080 -21.445 6.663 281 HA VAL 584 HA VAL 584 -1.623 -19.981 4.732 282 HB VAL 584 HB VAL 584 -1.096 -18.935 7.565 283 HG11 VAL 584 HG11 VAL 584 -2.947 -17.371 7.038 284 HG12 VAL 584 HG12 VAL 584 -3.124 -18.109 5.445 285 HG13 VAL 584 HG13 VAL 584 -1.643 -17.238 5.850 286 HG21 VAL 584 HG21 VAL 584 -2.399 -21.000 7.807 287 HG22 VAL 584 HG22 VAL 584 -3.580 -20.418 6.633 288 HG23 VAL 584 HG23 VAL 584 -3.398 -19.590 8.181 289 HA PRO 585 HA PRO 585 2.802 -18.543 4.330 290 HB2 PRO 585 HB2 PRO 585 2.935 -18.580 1.613 291 HB3 PRO 585 HB1 PRO 585 3.152 -20.046 2.577 292 HG2 PRO 585 HG2 PRO 585 0.706 -19.085 1.108 293 HG3 PRO 585 HG1 PRO 585 1.386 -20.722 1.180 294 HD2 PRO 585 HD2 PRO 585 -0.743 -19.898 2.727 295 HD3 PRO 585 HD1 PRO 585 0.382 -21.183 3.219 296 H GLY 586 HN GLY 586 3.518 -16.477 3.803 297 HA2 GLY 586 HA2 GLY 586 3.513 -14.317 2.969 298 HA3 GLY 586 HA1 GLY 586 1.895 -14.556 2.336 299 H ARG 587 HN ARG 587 0.628 -15.343 4.782 300 HA ARG 587 HA ARG 587 0.417 -12.797 6.209 301 HB2 ARG 587 HB2 ARG 587 -1.121 -15.388 6.720 302 HB3 ARG 587 HB1 ARG 587 -1.536 -13.778 7.297 303 HG2 ARG 587 HG2 ARG 587 -1.587 -14.713 4.415 304 HG3 ARG 587 HG1 ARG 587 -2.992 -14.490 5.453 305 HD2 ARG 587 HD2 ARG 587 -2.521 -12.070 5.570 306 HD3 ARG 587 HD1 ARG 587 -1.096 -12.295 4.542 307 HE ARG 587 HE ARG 587 -3.625 -13.214 3.451 308 HH11 ARG 587 HH11 ARG 587 -1.300 -10.606 3.529 309 HH12 ARG 587 HH12 ARG 587 -1.926 -9.843 2.106 310 HH21 ARG 587 HH21 ARG 587 -4.399 -12.232 1.564 311 HH22 ARG 587 HH22 ARG 587 -3.643 -10.792 0.969 312 H THR 588 HN THR 588 1.179 -12.468 8.288 313 HA THR 588 HA THR 588 3.022 -14.480 9.366 314 HB THR 588 HB THR 588 3.789 -12.672 10.880 315 HG1 THR 588 HG1 THR 588 1.850 -11.048 9.582 316 HG21 THR 588 HG21 THR 588 4.793 -12.738 8.614 317 HG22 THR 588 HG22 THR 588 4.681 -11.080 9.204 318 HG23 THR 588 HG23 THR 588 3.515 -11.672 8.019 319 H LYS 589 HN LYS 589 3.070 -14.879 11.697 320 HA LYS 589 HA LYS 589 0.551 -16.037 12.398 321 HB2 LYS 589 HB2 LYS 589 3.326 -16.162 13.531 322 HB3 LYS 589 HB1 LYS 589 2.000 -16.671 14.565 323 HG2 LYS 589 HG2 LYS 589 3.163 -18.513 13.268 324 HG3 LYS 589 HG1 LYS 589 1.409 -18.479 13.132 325 HD2 LYS 589 HD2 LYS 589 2.991 -17.042 11.012 326 HD3 LYS 589 HD1 LYS 589 3.042 -18.796 10.997 327 HE2 LYS 589 HE2 LYS 589 0.594 -18.910 10.753 328 HE3 LYS 589 HE1 LYS 589 0.479 -17.160 10.921 329 HZ1 LYS 589 HZ1 LYS 589 0.300 -17.772 8.639 330 HZ2 LYS 589 HZ2 LYS 589 1.755 -18.624 8.693 331 HZ3 LYS 589 HZ3 LYS 589 1.761 -16.950 8.873 332 H LYS 590 HN LYS 590 2.196 -13.128 13.428 333 HA LYS 590 HA LYS 590 0.743 -12.593 15.775 334 HB2 LYS 590 HB2 LYS 590 1.224 -10.169 15.304 335 HB3 LYS 590 HB1 LYS 590 2.650 -11.197 15.211 336 HG2 LYS 590 HG2 LYS 590 2.550 -11.169 12.758 337 HG3 LYS 590 HG1 LYS 590 1.077 -10.192 12.810 338 HD2 LYS 590 HD2 LYS 590 2.339 -8.353 13.887 339 HD3 LYS 590 HD1 LYS 590 3.810 -9.333 13.847 340 HE2 LYS 590 HE2 LYS 590 3.743 -7.676 12.001 341 HE3 LYS 590 HE1 LYS 590 3.777 -9.332 11.394 342 HZ1 LYS 590 HZ1 LYS 590 2.181 -7.900 10.225 343 HZ2 LYS 590 HZ2 LYS 590 1.309 -7.689 11.652 344 HZ3 LYS 590 HZ3 LYS 590 1.429 -9.221 10.952 345 H ASP 591 HN ASP 591 -0.003 -11.955 12.333 346 HA ASP 591 HA ASP 591 -2.504 -10.602 12.736 347 HB2 ASP 591 HB2 ASP 591 -1.557 -12.046 10.216 348 HB3 ASP 591 HB1 ASP 591 -2.830 -10.828 10.307 349 H CYS 592 HN CYS 592 -1.516 -13.913 12.176 350 HA CYS 592 HA CYS 592 -4.051 -15.110 11.763 351 HB2 CYS 592 HB2 CYS 592 -1.442 -16.302 12.783 352 HB3 CYS 592 HB1 CYS 592 -2.832 -17.251 12.248 353 HG CYS 592 HG CYS 592 -1.680 -14.966 10.067 354 H MET 593 HN MET 593 -2.175 -14.353 14.652 355 HA MET 593 HA MET 593 -3.863 -15.666 16.560 356 HB2 MET 593 HB2 MET 593 -1.781 -13.461 16.871 357 HB3 MET 593 HB1 MET 593 -2.664 -14.138 18.229 358 HG2 MET 593 HG2 MET 593 -1.712 -16.333 17.808 359 HG3 MET 593 HG1 MET 593 -0.907 -15.728 16.357 360 HE1 MET 593 HE1 MET 593 2.229 -16.167 18.524 361 HE2 MET 593 HE2 MET 593 1.584 -16.221 16.885 362 HE3 MET 593 HE3 MET 593 0.889 -17.249 18.146 363 H LYS 594 HN LYS 594 -3.723 -12.403 15.185 364 HA LYS 594 HA LYS 594 -5.639 -11.109 16.786 365 HB2 LYS 594 HB2 LYS 594 -5.176 -10.615 13.803 366 HB3 LYS 594 HB1 LYS 594 -5.965 -9.511 14.925 367 HG2 LYS 594 HG2 LYS 594 -3.051 -10.319 14.915 368 HG3 LYS 594 HG1 LYS 594 -3.715 -8.747 14.480 369 HD2 LYS 594 HD2 LYS 594 -4.451 -8.401 16.819 370 HD3 LYS 594 HD1 LYS 594 -3.830 -9.997 17.260 371 HE2 LYS 594 HE2 LYS 594 -2.268 -8.234 17.939 372 HE3 LYS 594 HE1 LYS 594 -1.534 -9.250 16.697 373 HZ1 LYS 594 HZ1 LYS 594 -2.033 -7.573 15.067 374 HZ2 LYS 594 HZ2 LYS 594 -1.147 -6.891 16.326 375 HZ3 LYS 594 HZ3 LYS 594 -2.808 -6.613 16.218 376 H ARG 595 HN ARG 595 -6.040 -12.881 13.713 377 HA ARG 595 HA ARG 595 -8.844 -12.512 13.542 378 HB2 ARG 595 HB2 ARG 595 -6.979 -13.346 11.716 379 HB3 ARG 595 HB1 ARG 595 -7.697 -14.897 12.112 380 HG2 ARG 595 HG2 ARG 595 -9.123 -12.455 10.995 381 HG3 ARG 595 HG1 ARG 595 -8.806 -13.970 10.151 382 HD2 ARG 595 HD2 ARG 595 -10.353 -15.148 11.649 383 HD3 ARG 595 HD1 ARG 595 -10.612 -13.676 12.585 384 HE ARG 595 HE ARG 595 -11.618 -14.258 9.882 385 HH11 ARG 595 HH11 ARG 595 -11.592 -12.059 12.630 386 HH12 ARG 595 HH12 ARG 595 -13.002 -11.204 12.093 387 HH21 ARG 595 HH21 ARG 595 -13.430 -13.124 9.197 388 HH22 ARG 595 HH22 ARG 595 -14.045 -11.812 10.148 389 H TYR 596 HN TYR 596 -6.852 -15.256 14.689 390 HA TYR 596 HA TYR 596 -8.954 -17.038 15.314 391 HB2 TYR 596 HB2 TYR 596 -6.707 -17.841 15.147 392 HB3 TYR 596 HB1 TYR 596 -6.139 -16.770 16.419 393 HD1 TYR 596 HD2 TYR 596 -8.815 -19.437 16.081 394 HD2 TYR 596 HD1 TYR 596 -5.573 -17.894 18.393 395 HE1 TYR 596 HE2 TYR 596 -9.079 -21.286 17.682 396 HE2 TYR 596 HE1 TYR 596 -5.836 -19.736 19.997 397 HH TYR 596 HH TYR 596 -7.604 -21.324 20.731 398 H LYS 597 HN LYS 597 -7.469 -14.436 17.200 399 HA LYS 597 HA LYS 597 -8.730 -14.905 19.691 400 HB2 LYS 597 HB2 LYS 597 -6.823 -13.309 19.381 401 HB3 LYS 597 HB1 LYS 597 -7.886 -12.231 18.481 402 HG2 LYS 597 HG2 LYS 597 -9.310 -12.018 20.558 403 HG3 LYS 597 HG1 LYS 597 -8.093 -12.969 21.419 404 HD2 LYS 597 HD2 LYS 597 -6.388 -11.223 20.872 405 HD3 LYS 597 HD1 LYS 597 -7.650 -10.272 20.080 406 HE2 LYS 597 HE2 LYS 597 -7.262 -9.403 22.321 407 HE3 LYS 597 HE1 LYS 597 -8.865 -10.142 22.267 408 HZ1 LYS 597 HZ1 LYS 597 -7.657 -10.745 24.260 409 HZ2 LYS 597 HZ2 LYS 597 -6.406 -11.418 23.341 410 HZ3 LYS 597 HZ3 LYS 597 -7.950 -12.108 23.310 411 H GLU 598 HN GLU 598 -9.629 -12.867 16.897 412 HA GLU 598 HA GLU 598 -12.077 -11.838 17.757 413 HB2 GLU 598 HB2 GLU 598 -11.268 -12.615 14.916 414 HB3 GLU 598 HB1 GLU 598 -12.657 -11.611 15.319 415 HG2 GLU 598 HG2 GLU 598 -11.144 -9.914 16.271 416 HG3 GLU 598 HG1 GLU 598 -9.760 -10.918 15.846 417 H LEU 599 HN LEU 599 -11.326 -14.919 16.141 418 HA LEU 599 HA LEU 599 -13.985 -15.755 15.616 419 HB2 LEU 599 HB2 LEU 599 -11.434 -17.410 15.859 420 HB3 LEU 599 HB1 LEU 599 -12.968 -18.031 15.256 421 HG LEU 599 HG LEU 599 -11.345 -15.808 13.956 422 HD11 LEU 599 HD11 LEU 599 -10.245 -17.957 13.715 423 HD12 LEU 599 HD12 LEU 599 -10.884 -17.407 12.168 424 HD13 LEU 599 HD13 LEU 599 -11.722 -18.677 13.068 425 HD21 LEU 599 HD21 LEU 599 -13.733 -15.469 13.575 426 HD22 LEU 599 HD22 LEU 599 -13.905 -17.123 12.987 427 HD23 LEU 599 HD23 LEU 599 -12.930 -15.962 12.084 428 H VAL 600 HN VAL 600 -11.720 -16.594 18.266 429 HA VAL 600 HA VAL 600 -13.315 -18.457 19.637 430 HB VAL 600 HB VAL 600 -11.223 -16.540 20.779 431 HG11 VAL 600 HG11 VAL 600 -12.457 -19.006 22.088 432 HG12 VAL 600 HG12 VAL 600 -12.696 -17.335 22.600 433 HG13 VAL 600 HG13 VAL 600 -11.103 -18.078 22.740 434 HG21 VAL 600 HG21 VAL 600 -10.310 -18.090 19.074 435 HG22 VAL 600 HG22 VAL 600 -10.971 -19.468 19.953 436 HG23 VAL 600 HG23 VAL 600 -9.689 -18.494 20.674 437 H GLU 601 HN GLU 601 -13.039 -14.933 20.091 438 HA GLU 601 HA GLU 601 -14.794 -14.754 22.315 439 HB2 GLU 601 HB2 GLU 601 -13.939 -12.562 20.380 440 HB3 GLU 601 HB1 GLU 601 -14.664 -12.308 21.967 441 HG2 GLU 601 HG2 GLU 601 -12.714 -13.396 23.018 442 HG3 GLU 601 HG1 GLU 601 -11.983 -13.597 21.429 443 H MET 602 HN MET 602 -15.273 -14.215 18.806 444 HA MET 602 HA MET 602 -17.870 -13.060 19.104 445 HB2 MET 602 HB2 MET 602 -18.061 -13.064 16.703 446 HB3 MET 602 HB1 MET 602 -16.415 -12.614 17.112 447 HG2 MET 602 HG2 MET 602 -15.617 -14.824 16.475 448 HG3 MET 602 HG1 MET 602 -17.266 -15.366 16.186 449 HE1 MET 602 HE1 MET 602 -15.192 -12.149 13.561 450 HE2 MET 602 HE2 MET 602 -14.438 -12.868 14.986 451 HE3 MET 602 HE3 MET 602 -15.825 -11.793 15.166 452 H VAL 603 HN VAL 603 -16.750 -16.389 18.515 453 HA VAL 603 HA VAL 603 -19.326 -17.475 17.839 454 HB VAL 603 HB VAL 603 -16.738 -18.849 18.698 455 HG11 VAL 603 HG11 VAL 603 -19.281 -20.155 17.647 456 HG12 VAL 603 HG12 VAL 603 -18.606 -20.336 19.268 457 HG13 VAL 603 HG13 VAL 603 -17.736 -20.973 17.877 458 HG21 VAL 603 HG21 VAL 603 -16.606 -17.680 16.513 459 HG22 VAL 603 HG22 VAL 603 -18.019 -18.572 15.944 460 HG23 VAL 603 HG23 VAL 603 -16.518 -19.432 16.296 461 H LYS 604 HN LYS 604 -17.379 -17.381 20.831 462 HA LYS 604 HA LYS 604 -19.133 -18.859 22.492 463 HB2 LYS 604 HB2 LYS 604 -17.088 -16.715 23.189 464 HB3 LYS 604 HB1 LYS 604 -17.930 -17.677 24.402 465 HG2 LYS 604 HG2 LYS 604 -16.907 -19.722 23.551 466 HG3 LYS 604 HG1 LYS 604 -16.144 -18.829 22.234 467 HD2 LYS 604 HD2 LYS 604 -14.519 -19.301 24.007 468 HD3 LYS 604 HD1 LYS 604 -14.791 -17.564 23.872 469 HE2 LYS 604 HE2 LYS 604 -16.310 -17.666 25.843 470 HE3 LYS 604 HE1 LYS 604 -16.004 -19.398 25.988 471 HZ1 LYS 604 HZ1 LYS 604 -13.678 -18.910 26.378 472 HZ2 LYS 604 HZ2 LYS 604 -14.652 -18.122 27.511 473 HZ3 LYS 604 HZ3 LYS 604 -13.973 -17.252 26.230 474 H ALA 605 HN ALA 605 -18.851 -15.381 21.862 475 HA ALA 605 HA ALA 605 -20.900 -14.513 23.652 476 HB1 ALA 605 HB1 ALA 605 -19.723 -13.061 21.248 477 HB2 ALA 605 HB2 ALA 605 -19.097 -13.008 22.895 478 HB3 ALA 605 HB3 ALA 605 -20.683 -12.327 22.545 479 H LYS 606 HN LYS 606 -20.873 -15.446 20.246 480 HA LYS 606 HA LYS 606 -23.385 -14.457 19.425 481 HB2 LYS 606 HB2 LYS 606 -21.588 -15.235 17.891 482 HB3 LYS 606 HB1 LYS 606 -21.837 -16.891 18.430 483 HG2 LYS 606 HG2 LYS 606 -24.150 -16.803 17.468 484 HG3 LYS 606 HG1 LYS 606 -23.796 -15.174 16.870 485 HD2 LYS 606 HD2 LYS 606 -21.892 -16.107 15.545 486 HD3 LYS 606 HD1 LYS 606 -22.324 -17.729 16.095 487 HE2 LYS 606 HE2 LYS 606 -23.182 -17.340 13.850 488 HE3 LYS 606 HE1 LYS 606 -24.534 -17.482 14.975 489 HZ1 LYS 606 HZ1 LYS 606 -24.846 -15.662 13.432 490 HZ2 LYS 606 HZ2 LYS 606 -23.396 -14.948 13.931 491 HZ3 LYS 606 HZ3 LYS 606 -24.692 -15.078 15.009 492 H LYS 607 HN LYS 607 -22.390 -17.705 20.542 493 HA LYS 607 HA LYS 607 -25.025 -18.832 20.571 494 HB2 LYS 607 HB2 LYS 607 -22.308 -19.773 21.504 495 HB3 LYS 607 HB1 LYS 607 -23.740 -20.648 22.038 496 HG2 LYS 607 HG2 LYS 607 -22.834 -21.765 20.115 497 HG3 LYS 607 HG1 LYS 607 -24.369 -21.029 19.653 498 HD2 LYS 607 HD2 LYS 607 -23.173 -19.196 18.519 499 HD3 LYS 607 HD1 LYS 607 -21.620 -19.844 19.059 500 HE2 LYS 607 HE2 LYS 607 -23.552 -21.257 17.181 501 HE3 LYS 607 HE1 LYS 607 -22.079 -20.416 16.699 502 HZ1 LYS 607 HZ1 LYS 607 -20.800 -21.963 18.045 503 HZ2 LYS 607 HZ2 LYS 607 -21.696 -22.786 16.876 504 HZ3 LYS 607 HZ3 LYS 607 -22.208 -22.781 18.485 505 H ALA 608 HN ALA 608 -23.117 -17.080 22.915 506 HA ALA 608 HA ALA 608 -24.544 -17.751 25.290 507 HB1 ALA 608 HB1 ALA 608 -22.315 -16.669 25.350 508 HB2 ALA 608 HB2 ALA 608 -23.495 -15.724 26.259 509 HB3 ALA 608 HB3 ALA 608 -22.992 -15.203 24.646 510 H ALA 609 HN ALA 609 -24.760 -15.019 23.020 511 HA ALA 609 HA ALA 609 -26.967 -13.685 24.232 512 HB1 ALA 609 HB1 ALA 609 -27.073 -12.386 22.124 513 HB2 ALA 609 HB2 ALA 609 -25.965 -13.529 21.355 514 HB3 ALA 609 HB3 ALA 609 -25.414 -12.532 22.703 515 H GLN 610 HN GLN 610 -26.681 -16.035 21.598 516 HA GLN 610 HA GLN 610 -29.360 -16.109 20.706 517 HB2 GLN 610 HB2 GLN 610 -27.441 -17.032 19.398 518 HB3 GLN 610 HB1 GLN 610 -27.249 -18.319 20.584 519 HG2 GLN 610 HG2 GLN 610 -28.387 -19.132 18.579 520 HG3 GLN 610 HG1 GLN 610 -29.480 -19.208 19.965 521 HE21 GLN 610 HE21 GLN 610 -31.264 -17.751 20.041 522 HE22 GLN 610 HE22 GLN 610 -31.803 -16.896 18.642 523 H GLU 611 HN GLU 611 -27.637 -17.911 23.206 524 HA GLU 611 HA GLU 611 -29.680 -19.764 23.866 525 HB2 GLU 611 HB2 GLU 611 -27.234 -19.997 24.477 526 HB3 GLU 611 HB1 GLU 611 -27.445 -18.749 25.692 527 HG2 GLU 611 HG2 GLU 611 -29.152 -21.236 25.771 528 HG3 GLU 611 HG1 GLU 611 -27.497 -21.308 26.351 529 H GLN 612 HN GLN 612 -28.897 -16.502 25.010 530 HA GLN 612 HA GLN 612 -30.830 -16.423 27.132 531 HB2 GLN 612 HB2 GLN 612 -29.344 -14.189 25.687 532 HB3 GLN 612 HB1 GLN 612 -30.323 -13.955 27.138 533 HG2 GLN 612 HG2 GLN 612 -28.854 -15.358 28.442 534 HG3 GLN 612 HG1 GLN 612 -27.939 -15.824 27.008 535 HE21 GLN 612 HE21 GLN 612 -26.954 -14.601 29.451 536 HE22 GLN 612 HE22 GLN 612 -26.209 -13.111 28.995 537 H VAL 613 HN VAL 613 -30.947 -15.541 23.694 538 HA VAL 613 HA VAL 613 -33.527 -14.295 23.683 539 HB VAL 613 HB VAL 613 -32.149 -15.830 21.419 540 HG11 VAL 613 HG11 VAL 613 -33.654 -14.582 19.876 541 HG12 VAL 613 HG12 VAL 613 -34.482 -13.861 21.255 542 HG13 VAL 613 HG13 VAL 613 -34.583 -15.600 20.985 543 HG21 VAL 613 HG21 VAL 613 -31.412 -13.607 20.611 544 HG22 VAL 613 HG22 VAL 613 -30.789 -13.941 22.226 545 HG23 VAL 613 HG23 VAL 613 -32.154 -12.846 22.020 546 H LEU 614 HN LEU 614 -32.409 -17.601 23.128 547 HA LEU 614 HA LEU 614 -34.876 -18.900 22.738 548 HB2 LEU 614 HB2 LEU 614 -32.704 -19.866 22.101 549 HB3 LEU 614 HB1 LEU 614 -32.192 -19.918 23.769 550 HG LEU 614 HG LEU 614 -32.844 -22.135 22.614 551 HD11 LEU 614 HD11 LEU 614 -34.111 -21.539 25.295 552 HD12 LEU 614 HD12 LEU 614 -32.437 -22.005 25.004 553 HD13 LEU 614 HD13 LEU 614 -33.735 -23.139 24.646 554 HD21 LEU 614 HD21 LEU 614 -35.204 -22.758 22.615 555 HD22 LEU 614 HD22 LEU 614 -34.906 -21.382 21.558 556 HD23 LEU 614 HD23 LEU 614 -35.652 -21.130 23.138 557 H ASN 615 HN ASN 615 -33.008 -18.165 25.633 558 HA ASN 615 HA ASN 615 -34.495 -19.740 27.488 559 HB2 ASN 615 HB2 ASN 615 -32.086 -18.843 27.716 560 HB3 ASN 615 HB1 ASN 615 -32.792 -17.296 28.145 561 HD21 ASN 615 HD21 ASN 615 -31.044 -19.070 29.673 562 HD22 ASN 615 HD22 ASN 615 -31.872 -19.441 31.145 563 H ALA 616 HN ALA 616 -34.639 -16.380 26.397 564 HA ALA 616 HA ALA 616 -36.668 -15.443 28.158 565 HB1 ALA 616 HB1 ALA 616 -36.884 -13.566 26.569 566 HB2 ALA 616 HB2 ALA 616 -35.909 -14.443 25.385 567 HB3 ALA 616 HB3 ALA 616 -35.187 -13.916 26.907 568 H SER 617 HN SER 617 -36.724 -17.081 25.027 569 HA SER 617 HA SER 617 -39.520 -16.854 24.472 570 HB2 SER 617 HB2 SER 617 -37.892 -17.355 22.679 571 HB3 SER 617 HB1 SER 617 -37.453 -18.873 23.461 572 HG SER 617 HG SER 617 -40.105 -18.309 22.673 573 H ARG 618 HN ARG 618 -37.507 -19.240 26.149 574 HA ARG 618 HA ARG 618 -39.688 -21.138 26.553 575 HB2 ARG 618 HB2 ARG 618 -36.782 -21.218 27.469 576 HB3 ARG 618 HB1 ARG 618 -37.933 -22.540 27.628 577 HG2 ARG 618 HG2 ARG 618 -36.935 -21.369 25.007 578 HG3 ARG 618 HG1 ARG 618 -36.405 -22.886 25.734 579 HD2 ARG 618 HD2 ARG 618 -38.665 -23.816 25.494 580 HD3 ARG 618 HD1 ARG 618 -39.235 -22.287 24.817 581 HE ARG 618 HE ARG 618 -37.426 -22.782 23.030 582 HH11 ARG 618 HH11 ARG 618 -39.381 -25.262 24.570 583 HH12 ARG 618 HH12 ARG 618 -39.360 -26.302 23.183 584 HH21 ARG 618 HH21 ARG 618 -37.406 -24.151 21.220 585 HH22 ARG 618 HH22 ARG 618 -38.227 -25.678 21.284 586 H ALA 619 HN ALA 619 -38.349 -18.466 28.232 587 HA ALA 619 HA ALA 619 -40.001 -19.078 30.620 588 HB1 ALA 619 HB1 ALA 619 -37.614 -19.377 31.216 589 HB2 ALA 619 HB2 ALA 619 -38.321 -18.001 32.060 590 HB3 ALA 619 HB3 ALA 619 -37.264 -17.730 30.671 591 H LYS 620 HN LYS 620 -41.340 -17.925 28.900 592 HA LYS 620 HA LYS 620 -41.099 -15.099 28.554 593 HB2 LYS 620 HB2 LYS 620 -42.262 -16.662 26.953 594 HB3 LYS 620 HB1 LYS 620 -43.529 -16.920 28.144 595 HG2 LYS 620 HG2 LYS 620 -44.290 -15.352 26.461 596 HG3 LYS 620 HG1 LYS 620 -44.123 -14.518 28.006 597 HD2 LYS 620 HD2 LYS 620 -43.281 -13.128 26.153 598 HD3 LYS 620 HD1 LYS 620 -41.986 -13.545 27.273 599 HE2 LYS 620 HE2 LYS 620 -41.224 -13.698 24.941 600 HE3 LYS 620 HE1 LYS 620 -41.193 -15.287 25.707 601 HZ1 LYS 620 HZ1 LYS 620 -43.396 -14.317 23.976 602 HZ2 LYS 620 HZ2 LYS 620 -43.192 -15.882 24.581 603 HZ3 LYS 620 HZ3 LYS 620 -42.114 -15.273 23.430 604 H LYS 621 HN LYS 621 -41.129 -13.915 30.421 605 HA LYS 621 HA LYS 621 -43.010 -14.576 32.598 606 HB2 LYS 621 HB2 LYS 621 -40.449 -12.920 32.631 607 HB3 LYS 621 HB1 LYS 621 -41.477 -13.204 34.031 608 HG2 LYS 621 HG2 LYS 621 -39.938 -15.301 32.473 609 HG3 LYS 621 HG1 LYS 621 -39.542 -14.691 34.082 610 HD2 LYS 621 HD2 LYS 621 -41.696 -15.646 34.946 611 HD3 LYS 621 HD1 LYS 621 -42.039 -16.288 33.334 612 HE2 LYS 621 HE2 LYS 621 -41.145 -18.063 34.744 613 HE3 LYS 621 HE1 LYS 621 -39.964 -17.679 33.490 614 HZ1 LYS 621 HZ1 LYS 621 -39.874 -16.691 36.297 615 HZ2 LYS 621 HZ2 LYS 621 -38.723 -16.388 35.095 616 HZ3 LYS 621 HZ3 LYS 621 -38.944 -17.962 35.673 Start of MODEL 20 1 H PHE 551 HN PHE 551 1.244 -4.854 9.671 2 HA PHE 551 HA PHE 551 -0.571 -7.071 10.207 3 HB2 PHE 551 HB2 PHE 551 -1.349 -4.771 10.598 4 HB3 PHE 551 HB1 PHE 551 -1.049 -4.347 8.918 5 HD1 PHE 551 HD2 PHE 551 -3.152 -6.540 11.110 6 HD2 PHE 551 HD1 PHE 551 -2.768 -4.688 7.275 7 HE1 PHE 551 HE2 PHE 551 -5.456 -7.206 10.550 8 HE2 PHE 551 HE1 PHE 551 -5.064 -5.365 6.725 9 HZ PHE 551 HZ PHE 551 -6.410 -6.626 8.356 10 H THR 552 HN THR 552 -0.606 -8.738 8.818 11 HA THR 552 HA THR 552 -0.496 -8.325 5.911 12 HB THR 552 HB THR 552 -0.724 -10.891 5.875 13 HG1 THR 552 HG1 THR 552 -1.286 -10.608 8.401 14 HG21 THR 552 HG21 THR 552 1.625 -11.313 6.489 15 HG22 THR 552 HG22 THR 552 1.708 -9.744 7.288 16 HG23 THR 552 HG23 THR 552 1.468 -9.833 5.540 17 HA PRO 553 HA PRO 553 -5.021 -7.982 6.049 18 HB2 PRO 553 HB2 PRO 553 -5.506 -7.987 3.345 19 HB3 PRO 553 HB1 PRO 553 -4.832 -6.591 4.199 20 HG2 PRO 553 HG2 PRO 553 -3.382 -8.741 2.645 21 HG3 PRO 553 HG1 PRO 553 -3.188 -6.976 2.548 22 HD2 PRO 553 HD2 PRO 553 -1.482 -8.494 3.980 23 HD3 PRO 553 HD1 PRO 553 -1.955 -6.874 4.544 24 H TRP 554 HN TRP 554 -6.357 -9.608 6.562 25 HA TRP 554 HA TRP 554 -5.961 -12.297 5.638 26 HB2 TRP 554 HB2 TRP 554 -8.008 -11.018 7.477 27 HB3 TRP 554 HB1 TRP 554 -8.126 -12.716 7.000 28 HD1 TRP 554 HD1 TRP 554 -6.417 -10.568 9.548 29 HE1 TRP 554 HE1 TRP 554 -4.618 -11.943 10.770 30 HE3 TRP 554 HE3 TRP 554 -6.292 -14.654 6.484 31 HZ2 TRP 554 HZ2 TRP 554 -3.294 -14.418 10.451 32 HZ3 TRP 554 HZ3 TRP 554 -4.734 -16.474 7.002 33 HH2 TRP 554 HH2 TRP 554 -3.259 -16.362 8.951 34 H THR 555 HN THR 555 -6.138 -12.176 3.483 35 HA THR 555 HA THR 555 -8.507 -11.559 2.034 36 HB THR 555 HB THR 555 -7.335 -12.805 0.182 37 HG1 THR 555 HG1 THR 555 -5.666 -14.052 0.622 38 HG21 THR 555 HG21 THR 555 -5.382 -11.308 -0.022 39 HG22 THR 555 HG22 THR 555 -5.534 -10.849 1.675 40 HG23 THR 555 HG23 THR 555 -6.800 -10.408 0.522 41 H THR 556 HN THR 556 -9.901 -13.151 0.994 42 HA THR 556 HA THR 556 -11.072 -14.826 2.921 43 HB THR 556 HB THR 556 -11.622 -14.784 -0.074 44 HG1 THR 556 HG1 THR 556 -12.057 -12.923 1.916 45 HG21 THR 556 HG21 THR 556 -13.927 -15.417 0.545 46 HG22 THR 556 HG22 THR 556 -13.467 -15.494 2.246 47 HG23 THR 556 HG23 THR 556 -12.786 -16.646 1.094 48 H GLU 557 HN GLU 557 -8.988 -15.600 0.157 49 HA GLU 557 HA GLU 557 -9.237 -18.436 0.302 50 HB2 GLU 557 HB2 GLU 557 -7.161 -18.494 -1.129 51 HB3 GLU 557 HB1 GLU 557 -8.489 -17.550 -1.787 52 HG2 GLU 557 HG2 GLU 557 -6.446 -16.037 -0.208 53 HG3 GLU 557 HG1 GLU 557 -5.909 -16.705 -1.745 54 H GLU 558 HN GLU 558 -6.927 -16.139 1.776 55 HA GLU 558 HA GLU 558 -5.361 -18.208 3.038 56 HB2 GLU 558 HB2 GLU 558 -5.362 -15.194 3.136 57 HB3 GLU 558 HB1 GLU 558 -4.585 -16.051 4.454 58 HG2 GLU 558 HG2 GLU 558 -2.931 -15.441 2.806 59 HG3 GLU 558 HG1 GLU 558 -3.087 -17.194 2.878 60 H GLN 559 HN GLN 559 -8.263 -16.450 3.861 61 HA GLN 559 HA GLN 559 -8.235 -16.870 6.687 62 HB2 GLN 559 HB2 GLN 559 -9.612 -15.108 5.644 63 HB3 GLN 559 HB1 GLN 559 -10.576 -16.316 4.808 64 HG2 GLN 559 HG2 GLN 559 -10.440 -16.220 7.841 65 HG3 GLN 559 HG1 GLN 559 -11.559 -15.206 6.939 66 HE21 GLN 559 HE21 GLN 559 -11.902 -17.567 8.838 67 HE22 GLN 559 HE22 GLN 559 -12.994 -18.613 7.998 68 H LYS 560 HN LYS 560 -9.761 -18.657 3.975 69 HA LYS 560 HA LYS 560 -10.976 -20.648 5.607 70 HB2 LYS 560 HB2 LYS 560 -11.266 -21.990 3.540 71 HB3 LYS 560 HB1 LYS 560 -11.796 -20.323 3.342 72 HG2 LYS 560 HG2 LYS 560 -9.769 -19.782 2.094 73 HG3 LYS 560 HG1 LYS 560 -9.131 -21.402 2.375 74 HD2 LYS 560 HD2 LYS 560 -10.064 -21.113 0.077 75 HD3 LYS 560 HD1 LYS 560 -10.868 -22.395 0.984 76 HE2 LYS 560 HE2 LYS 560 -12.446 -20.969 -0.326 77 HE3 LYS 560 HE1 LYS 560 -12.791 -20.965 1.402 78 HZ1 LYS 560 HZ1 LYS 560 -11.287 -18.842 -0.027 79 HZ2 LYS 560 HZ2 LYS 560 -11.752 -18.824 1.604 80 HZ3 LYS 560 HZ3 LYS 560 -12.923 -18.759 0.389 81 H LEU 561 HN LEU 561 -7.734 -20.313 4.338 82 HA LEU 561 HA LEU 561 -6.887 -23.012 4.945 83 HB2 LEU 561 HB2 LEU 561 -5.249 -20.511 4.369 84 HB3 LEU 561 HB1 LEU 561 -4.597 -22.143 4.469 85 HG LEU 561 HG LEU 561 -6.525 -21.087 2.364 86 HD11 LEU 561 HD11 LEU 561 -4.227 -20.319 2.042 87 HD12 LEU 561 HD12 LEU 561 -4.700 -21.452 0.778 88 HD13 LEU 561 HD13 LEU 561 -3.641 -21.985 2.089 89 HD21 LEU 561 HD21 LEU 561 -7.116 -23.398 2.858 90 HD22 LEU 561 HD22 LEU 561 -5.438 -23.907 2.654 91 HD23 LEU 561 HD23 LEU 561 -6.350 -23.291 1.274 92 H LEU 562 HN LEU 562 -6.830 -19.858 6.550 93 HA LEU 562 HA LEU 562 -5.189 -20.478 8.776 94 HB2 LEU 562 HB2 LEU 562 -5.782 -18.181 8.067 95 HB3 LEU 562 HB1 LEU 562 -7.453 -18.447 8.496 96 HG LEU 562 HG LEU 562 -5.915 -16.999 10.045 97 HD11 LEU 562 HD11 LEU 562 -7.720 -19.091 11.259 98 HD12 LEU 562 HD12 LEU 562 -8.177 -17.491 10.674 99 HD13 LEU 562 HD13 LEU 562 -7.131 -17.644 12.087 100 HD21 LEU 562 HD21 LEU 562 -5.087 -19.736 11.052 101 HD22 LEU 562 HD22 LEU 562 -4.735 -18.186 11.824 102 HD23 LEU 562 HD23 LEU 562 -4.047 -18.557 10.245 103 H GLU 563 HN GLU 563 -8.693 -20.452 8.401 104 HA GLU 563 HA GLU 563 -9.389 -21.576 10.881 105 HB2 GLU 563 HB2 GLU 563 -10.782 -20.858 8.360 106 HB3 GLU 563 HB1 GLU 563 -11.514 -22.230 9.178 107 HG2 GLU 563 HG2 GLU 563 -10.910 -19.613 10.575 108 HG3 GLU 563 HG1 GLU 563 -12.444 -19.950 9.770 109 H GLN 564 HN GLN 564 -8.847 -23.097 7.696 110 HA GLN 564 HA GLN 564 -9.453 -25.757 8.332 111 HB2 GLN 564 HB2 GLN 564 -8.998 -24.981 6.025 112 HB3 GLN 564 HB1 GLN 564 -7.318 -24.685 6.442 113 HG2 GLN 564 HG2 GLN 564 -7.034 -27.151 6.850 114 HG3 GLN 564 HG1 GLN 564 -8.693 -27.390 6.288 115 HE21 GLN 564 HE21 GLN 564 -5.439 -26.486 5.351 116 HE22 GLN 564 HE22 GLN 564 -5.650 -26.691 3.649 117 H ALA 565 HN ALA 565 -6.491 -23.889 8.779 118 HA ALA 565 HA ALA 565 -4.878 -26.054 9.754 119 HB1 ALA 565 HB1 ALA 565 -3.935 -24.120 8.551 120 HB2 ALA 565 HB2 ALA 565 -3.179 -24.342 10.131 121 HB3 ALA 565 HB3 ALA 565 -4.382 -23.069 9.894 122 H LEU 566 HN LEU 566 -6.956 -23.645 11.262 123 HA LEU 566 HA LEU 566 -6.134 -24.125 13.972 124 HB2 LEU 566 HB2 LEU 566 -8.728 -22.974 12.874 125 HB3 LEU 566 HB1 LEU 566 -8.323 -23.033 14.585 126 HG LEU 566 HG LEU 566 -6.807 -21.438 12.474 127 HD11 LEU 566 HD11 LEU 566 -8.690 -20.489 14.647 128 HD12 LEU 566 HD12 LEU 566 -8.989 -20.462 12.906 129 HD13 LEU 566 HD13 LEU 566 -7.720 -19.454 13.595 130 HD21 LEU 566 HD21 LEU 566 -5.307 -22.179 14.277 131 HD22 LEU 566 HD22 LEU 566 -6.396 -21.486 15.481 132 HD23 LEU 566 HD23 LEU 566 -5.567 -20.435 14.329 133 H LYS 567 HN LYS 567 -8.435 -25.629 11.760 134 HA LYS 567 HA LYS 567 -9.678 -27.324 13.763 135 HB2 LYS 567 HB2 LYS 567 -9.732 -27.699 10.735 136 HB3 LYS 567 HB1 LYS 567 -10.805 -28.446 11.910 137 HG2 LYS 567 HG2 LYS 567 -10.752 -25.556 11.018 138 HG3 LYS 567 HG1 LYS 567 -12.003 -26.744 10.720 139 HD2 LYS 567 HD2 LYS 567 -13.094 -25.773 12.474 140 HD3 LYS 567 HD1 LYS 567 -11.972 -26.662 13.500 141 HE2 LYS 567 HE2 LYS 567 -10.533 -24.732 13.720 142 HE3 LYS 567 HE1 LYS 567 -11.417 -23.844 12.479 143 HZ1 LYS 567 HZ1 LYS 567 -12.430 -24.622 15.155 144 HZ2 LYS 567 HZ2 LYS 567 -13.354 -23.871 13.952 145 HZ3 LYS 567 HZ3 LYS 567 -12.032 -23.064 14.629 146 H THR 568 HN THR 568 -7.100 -27.578 11.362 147 HA THR 568 HA THR 568 -6.628 -30.377 11.498 148 HB THR 568 HB THR 568 -4.784 -28.127 10.564 149 HG1 THR 568 HG1 THR 568 -6.958 -28.801 9.488 150 HG21 THR 568 HG21 THR 568 -3.559 -29.848 9.286 151 HG22 THR 568 HG22 THR 568 -4.547 -31.109 10.025 152 HG23 THR 568 HG23 THR 568 -3.448 -30.151 11.023 153 H TYR 569 HN TYR 569 -4.961 -27.581 12.950 154 HA TYR 569 HA TYR 569 -3.411 -29.357 14.732 155 HB2 TYR 569 HB2 TYR 569 -2.874 -26.410 14.130 156 HB3 TYR 569 HB1 TYR 569 -1.812 -27.536 14.976 157 HD1 TYR 569 HD2 TYR 569 -1.188 -29.732 13.560 158 HD2 TYR 569 HD1 TYR 569 -2.386 -25.988 11.873 159 HE1 TYR 569 HE2 TYR 569 -0.125 -30.350 11.437 160 HE2 TYR 569 HE1 TYR 569 -1.329 -26.619 9.737 161 HH TYR 569 HH TYR 569 -0.228 -29.807 9.099 162 HA PRO 570 HA PRO 570 -6.266 -27.928 18.093 163 HB2 PRO 570 HB2 PRO 570 -4.033 -29.389 19.543 164 HB3 PRO 570 HB1 PRO 570 -5.782 -29.463 19.819 165 HG2 PRO 570 HG2 PRO 570 -4.600 -31.443 18.535 166 HG3 PRO 570 HG1 PRO 570 -6.149 -30.814 17.923 167 HD2 PRO 570 HD2 PRO 570 -3.356 -30.306 16.898 168 HD3 PRO 570 HD1 PRO 570 -4.856 -30.592 15.984 169 H VAL 571 HN VAL 571 -5.979 -26.444 19.903 170 HA VAL 571 HA VAL 571 -3.974 -24.447 19.540 171 HB VAL 571 HB VAL 571 -6.142 -23.789 20.458 172 HG11 VAL 571 HG11 VAL 571 -6.764 -25.777 21.734 173 HG12 VAL 571 HG12 VAL 571 -6.852 -24.358 22.778 174 HG13 VAL 571 HG13 VAL 571 -5.484 -25.469 22.907 175 HG21 VAL 571 HG21 VAL 571 -3.952 -23.336 22.519 176 HG22 VAL 571 HG22 VAL 571 -5.407 -22.351 22.325 177 HG23 VAL 571 HG23 VAL 571 -4.189 -22.393 21.044 178 H ASN 572 HN ASN 572 -4.224 -27.277 21.537 179 HA ASN 572 HA ASN 572 -2.093 -26.726 23.366 180 HB2 ASN 572 HB2 ASN 572 -3.486 -29.341 22.632 181 HB3 ASN 572 HB1 ASN 572 -2.384 -29.138 23.994 182 HD21 ASN 572 HD21 ASN 572 -5.321 -29.791 23.814 183 HD22 ASN 572 HD22 ASN 572 -6.080 -28.665 24.878 184 H THR 573 HN THR 573 -2.082 -27.704 20.072 185 HA THR 573 HA THR 573 0.417 -29.055 19.921 186 HB THR 573 HB THR 573 -0.967 -27.312 17.821 187 HG1 THR 573 HG1 THR 573 -1.438 -29.683 17.135 188 HG21 THR 573 HG21 THR 573 1.411 -27.734 17.233 189 HG22 THR 573 HG22 THR 573 0.330 -28.602 16.143 190 HG23 THR 573 HG23 THR 573 1.158 -29.469 17.437 191 HA PRO 574 HA PRO 574 2.776 -25.246 20.976 192 HB2 PRO 574 HB2 PRO 574 5.265 -26.362 21.111 193 HB3 PRO 574 HB1 PRO 574 4.063 -26.581 22.392 194 HG2 PRO 574 HG2 PRO 574 4.793 -28.444 20.131 195 HG3 PRO 574 HG1 PRO 574 4.546 -28.823 21.849 196 HD2 PRO 574 HD2 PRO 574 2.623 -29.250 19.959 197 HD3 PRO 574 HD1 PRO 574 2.222 -28.833 21.641 198 H GLU 575 HN GLU 575 3.165 -27.327 18.238 199 HA GLU 575 HA GLU 575 4.936 -25.540 16.733 200 HB2 GLU 575 HB2 GLU 575 3.625 -28.167 15.895 201 HB3 GLU 575 HB1 GLU 575 4.922 -27.329 15.044 202 HG2 GLU 575 HG2 GLU 575 6.449 -27.784 16.919 203 HG3 GLU 575 HG1 GLU 575 5.148 -28.589 17.795 204 H ARG 576 HN ARG 576 1.812 -25.244 17.459 205 HA ARG 576 HA ARG 576 0.207 -25.800 15.278 206 HB2 ARG 576 HB2 ARG 576 -0.582 -25.099 17.620 207 HB3 ARG 576 HB1 ARG 576 -0.294 -23.432 17.135 208 HG2 ARG 576 HG2 ARG 576 -1.904 -23.843 15.189 209 HG3 ARG 576 HG1 ARG 576 -2.293 -25.382 15.953 210 HD2 ARG 576 HD2 ARG 576 -2.848 -23.939 18.055 211 HD3 ARG 576 HD1 ARG 576 -2.879 -22.588 16.910 212 HE ARG 576 HE ARG 576 -4.460 -24.719 15.925 213 HH11 ARG 576 HH11 ARG 576 -4.601 -22.150 18.316 214 HH12 ARG 576 HH12 ARG 576 -6.321 -22.248 18.480 215 HH21 ARG 576 HH21 ARG 576 -6.689 -24.835 16.154 216 HH22 ARG 576 HH22 ARG 576 -7.505 -23.764 17.246 217 H TRP 577 HN TRP 577 1.523 -22.605 16.125 218 HA TRP 577 HA TRP 577 0.336 -21.307 13.860 219 HB2 TRP 577 HB2 TRP 577 2.380 -20.183 15.827 220 HB3 TRP 577 HB1 TRP 577 1.292 -19.261 14.791 221 HD1 TRP 577 HD1 TRP 577 1.454 -20.882 18.193 222 HE1 TRP 577 HE1 TRP 577 -0.802 -20.643 19.396 223 HE3 TRP 577 HE3 TRP 577 -1.396 -19.204 14.282 224 HZ2 TRP 577 HZ2 TRP 577 -3.448 -19.865 18.777 225 HZ3 TRP 577 HZ3 TRP 577 -3.781 -18.745 14.670 226 HH2 TRP 577 HH2 TRP 577 -4.790 -19.068 16.867 227 H LYS 578 HN LYS 578 3.492 -22.673 14.560 228 HA LYS 578 HA LYS 578 4.946 -21.562 12.362 229 HB2 LYS 578 HB2 LYS 578 5.352 -24.208 13.822 230 HB3 LYS 578 HB1 LYS 578 6.499 -23.504 12.684 231 HG2 LYS 578 HG2 LYS 578 5.698 -22.374 15.386 232 HG3 LYS 578 HG1 LYS 578 7.242 -23.117 14.955 233 HD2 LYS 578 HD2 LYS 578 7.448 -21.209 13.198 234 HD3 LYS 578 HD1 LYS 578 6.125 -20.433 14.073 235 HE2 LYS 578 HE2 LYS 578 8.872 -21.144 15.150 236 HE3 LYS 578 HE1 LYS 578 8.226 -19.529 14.858 237 HZ1 LYS 578 HZ1 LYS 578 7.317 -21.469 16.908 238 HZ2 LYS 578 HZ2 LYS 578 6.543 -20.004 16.580 239 HZ3 LYS 578 HZ3 LYS 578 8.121 -20.008 17.175 240 H LYS 579 HN LYS 579 2.946 -24.445 12.750 241 HA LYS 579 HA LYS 579 3.324 -25.411 10.049 242 HB2 LYS 579 HB2 LYS 579 1.438 -26.236 12.292 243 HB3 LYS 579 HB1 LYS 579 1.505 -27.055 10.729 244 HG2 LYS 579 HG2 LYS 579 3.847 -27.662 11.120 245 HG3 LYS 579 HG1 LYS 579 3.841 -26.794 12.657 246 HD2 LYS 579 HD2 LYS 579 2.317 -28.383 13.637 247 HD3 LYS 579 HD1 LYS 579 2.011 -29.158 12.079 248 HE2 LYS 579 HE2 LYS 579 4.397 -29.878 12.009 249 HE3 LYS 579 HE1 LYS 579 4.657 -29.153 13.591 250 HZ1 LYS 579 HZ1 LYS 579 2.825 -31.399 12.972 251 HZ2 LYS 579 HZ2 LYS 579 3.038 -30.703 14.497 252 HZ3 LYS 579 HZ3 LYS 579 4.319 -31.514 13.756 253 H ILE 580 HN ILE 580 1.142 -23.250 11.676 254 HA ILE 580 HA ILE 580 -0.817 -23.044 9.581 255 HB ILE 580 HB ILE 580 -0.163 -21.273 11.974 256 HG12 ILE 580 HG12 ILE 580 -2.520 -23.107 11.369 257 HG13 ILE 580 HG11 ILE 580 -1.213 -23.460 12.479 258 HG21 ILE 580 HG21 ILE 580 -2.451 -20.815 10.028 259 HG22 ILE 580 HG22 ILE 580 -1.044 -19.771 10.240 260 HG23 ILE 580 HG23 ILE 580 -2.203 -19.961 11.554 261 HD11 ILE 580 HD11 ILE 580 -3.289 -21.305 12.803 262 HD12 ILE 580 HD12 ILE 580 -1.971 -21.647 13.929 263 HD13 ILE 580 HD13 ILE 580 -3.226 -22.852 13.647 264 H ALA 581 HN ALA 581 2.309 -21.529 10.229 265 HA ALA 581 HA ALA 581 2.294 -19.528 8.230 266 HB1 ALA 581 HB1 ALA 581 4.750 -19.667 8.271 267 HB2 ALA 581 HB2 ALA 581 4.669 -21.211 9.129 268 HB3 ALA 581 HB3 ALA 581 4.103 -19.734 9.911 269 H GLU 582 HN GLU 582 2.896 -22.984 8.062 270 HA GLU 582 HA GLU 582 3.711 -23.055 5.292 271 HB2 GLU 582 HB2 GLU 582 2.952 -25.258 7.258 272 HB3 GLU 582 HB1 GLU 582 3.648 -25.542 5.659 273 HG2 GLU 582 HG2 GLU 582 5.718 -24.486 6.279 274 HG3 GLU 582 HG1 GLU 582 5.031 -23.876 7.786 275 H ALA 583 HN ALA 583 0.757 -23.675 7.118 276 HA ALA 583 HA ALA 583 -0.809 -24.627 4.897 277 HB1 ALA 583 HB1 ALA 583 -1.309 -25.316 7.202 278 HB2 ALA 583 HB2 ALA 583 -2.700 -24.509 6.480 279 HB3 ALA 583 HB3 ALA 583 -1.685 -23.647 7.640 280 H VAL 584 HN VAL 584 -0.090 -21.508 6.298 281 HA VAL 584 HA VAL 584 -1.888 -20.113 4.405 282 HB VAL 584 HB VAL 584 -1.393 -18.993 7.195 283 HG11 VAL 584 HG11 VAL 584 -3.433 -17.710 6.765 284 HG12 VAL 584 HG12 VAL 584 -3.638 -18.523 5.211 285 HG13 VAL 584 HG13 VAL 584 -2.252 -17.466 5.477 286 HG21 VAL 584 HG21 VAL 584 -2.400 -21.185 7.598 287 HG22 VAL 584 HG22 VAL 584 -3.717 -20.810 6.485 288 HG23 VAL 584 HG23 VAL 584 -3.540 -19.894 7.985 289 HA PRO 585 HA PRO 585 2.471 -18.479 4.018 290 HB2 PRO 585 HB2 PRO 585 1.839 -18.352 1.112 291 HB3 PRO 585 HB1 PRO 585 3.167 -19.181 1.936 292 HG2 PRO 585 HG2 PRO 585 1.131 -20.557 0.809 293 HG3 PRO 585 HG1 PRO 585 1.919 -21.114 2.303 294 HD2 PRO 585 HD2 PRO 585 -0.683 -19.590 1.994 295 HD3 PRO 585 HD1 PRO 585 -0.333 -21.033 2.979 296 H GLY 586 HN GLY 586 3.171 -16.359 3.535 297 HA2 GLY 586 HA2 GLY 586 3.065 -14.114 3.042 298 HA3 GLY 586 HA1 GLY 586 1.532 -14.387 2.238 299 H ARG 587 HN ARG 587 1.524 -15.531 5.456 300 HA ARG 587 HA ARG 587 0.280 -13.056 6.518 301 HB2 ARG 587 HB2 ARG 587 -0.759 -15.893 6.933 302 HB3 ARG 587 HB1 ARG 587 -1.466 -14.424 7.613 303 HG2 ARG 587 HG2 ARG 587 -1.316 -15.118 4.652 304 HG3 ARG 587 HG1 ARG 587 -2.738 -15.309 5.679 305 HD2 ARG 587 HD2 ARG 587 -2.977 -12.944 5.943 306 HD3 ARG 587 HD1 ARG 587 -1.387 -12.628 5.236 307 HE ARG 587 HE ARG 587 -3.679 -13.726 3.715 308 HH11 ARG 587 HH11 ARG 587 -0.902 -11.579 3.871 309 HH12 ARG 587 HH12 ARG 587 -1.045 -11.084 2.217 310 HH21 ARG 587 HH21 ARG 587 -3.816 -13.124 1.541 311 HH22 ARG 587 HH22 ARG 587 -2.695 -11.969 0.892 312 H THR 588 HN THR 588 0.744 -12.607 8.685 313 HA THR 588 HA THR 588 3.000 -14.101 9.814 314 HB THR 588 HB THR 588 3.248 -12.254 11.400 315 HG1 THR 588 HG1 THR 588 1.192 -10.703 10.352 316 HG21 THR 588 HG21 THR 588 2.684 -11.155 8.619 317 HG22 THR 588 HG22 THR 588 4.209 -11.849 9.167 318 HG23 THR 588 HG23 THR 588 3.627 -10.341 9.874 319 H LYS 589 HN LYS 589 3.063 -14.769 12.022 320 HA LYS 589 HA LYS 589 0.808 -16.345 12.747 321 HB2 LYS 589 HB2 LYS 589 3.490 -15.840 14.057 322 HB3 LYS 589 HB1 LYS 589 2.267 -16.792 14.871 323 HG2 LYS 589 HG2 LYS 589 3.854 -18.267 13.824 324 HG3 LYS 589 HG1 LYS 589 2.298 -18.444 13.021 325 HD2 LYS 589 HD2 LYS 589 4.401 -16.613 11.847 326 HD3 LYS 589 HD1 LYS 589 4.549 -18.354 11.627 327 HE2 LYS 589 HE2 LYS 589 2.436 -18.444 10.427 328 HE3 LYS 589 HE1 LYS 589 2.088 -16.761 10.802 329 HZ1 LYS 589 HZ1 LYS 589 4.382 -17.669 9.163 330 HZ2 LYS 589 HZ2 LYS 589 3.922 -16.071 9.456 331 HZ3 LYS 589 HZ3 LYS 589 2.921 -17.083 8.541 332 H LYS 590 HN LYS 590 2.037 -13.240 13.850 333 HA LYS 590 HA LYS 590 0.466 -13.003 16.207 334 HB2 LYS 590 HB2 LYS 590 0.998 -10.606 16.140 335 HB3 LYS 590 HB1 LYS 590 2.432 -11.571 15.806 336 HG2 LYS 590 HG2 LYS 590 2.192 -11.087 13.387 337 HG3 LYS 590 HG1 LYS 590 0.757 -10.118 13.727 338 HD2 LYS 590 HD2 LYS 590 2.658 -8.627 13.433 339 HD3 LYS 590 HD1 LYS 590 2.153 -8.581 15.124 340 HE2 LYS 590 HE2 LYS 590 4.603 -8.649 14.940 341 HE3 LYS 590 HE1 LYS 590 4.004 -10.116 15.714 342 HZ1 LYS 590 HZ1 LYS 590 5.719 -10.557 14.057 343 HZ2 LYS 590 HZ2 LYS 590 4.749 -9.883 12.849 344 HZ3 LYS 590 HZ3 LYS 590 4.254 -11.289 13.643 345 H ASP 591 HN ASP 591 -0.115 -12.199 12.807 346 HA ASP 591 HA ASP 591 -2.727 -11.079 13.141 347 HB2 ASP 591 HB2 ASP 591 -1.112 -12.069 10.786 348 HB3 ASP 591 HB1 ASP 591 -2.844 -11.871 10.556 349 H CYS 592 HN CYS 592 -1.494 -14.348 12.643 350 HA CYS 592 HA CYS 592 -3.947 -15.671 12.128 351 HB2 CYS 592 HB2 CYS 592 -1.379 -16.763 13.347 352 HB3 CYS 592 HB1 CYS 592 -2.703 -17.753 12.735 353 HG CYS 592 HG CYS 592 -1.491 -15.543 10.529 354 H MET 593 HN MET 593 -2.220 -14.923 15.108 355 HA MET 593 HA MET 593 -3.970 -16.293 16.937 356 HB2 MET 593 HB2 MET 593 -1.950 -14.057 17.407 357 HB3 MET 593 HB1 MET 593 -2.736 -14.974 18.680 358 HG2 MET 593 HG2 MET 593 -1.567 -16.977 18.063 359 HG3 MET 593 HG1 MET 593 -0.963 -16.233 16.578 360 HE1 MET 593 HE1 MET 593 1.606 -16.520 16.854 361 HE2 MET 593 HE2 MET 593 1.214 -17.625 18.174 362 HE3 MET 593 HE3 MET 593 2.440 -16.377 18.402 363 H LYS 594 HN LYS 594 -3.603 -12.976 15.800 364 HA LYS 594 HA LYS 594 -5.629 -11.724 17.313 365 HB2 LYS 594 HB2 LYS 594 -3.840 -10.488 16.164 366 HB3 LYS 594 HB1 LYS 594 -4.444 -10.993 14.597 367 HG2 LYS 594 HG2 LYS 594 -6.255 -9.378 16.395 368 HG3 LYS 594 HG1 LYS 594 -4.921 -8.555 15.591 369 HD2 LYS 594 HD2 LYS 594 -7.172 -10.089 14.211 370 HD3 LYS 594 HD1 LYS 594 -7.012 -8.330 14.298 371 HE2 LYS 594 HE2 LYS 594 -5.104 -10.234 12.874 372 HE3 LYS 594 HE1 LYS 594 -6.286 -9.178 12.102 373 HZ1 LYS 594 HZ1 LYS 594 -3.971 -8.251 13.725 374 HZ2 LYS 594 HZ2 LYS 594 -5.092 -7.265 12.945 375 HZ3 LYS 594 HZ3 LYS 594 -4.058 -8.246 12.035 376 H ARG 595 HN ARG 595 -5.711 -13.397 14.169 377 HA ARG 595 HA ARG 595 -8.430 -12.714 13.545 378 HB2 ARG 595 HB2 ARG 595 -6.372 -13.778 12.034 379 HB3 ARG 595 HB1 ARG 595 -7.324 -15.225 12.312 380 HG2 ARG 595 HG2 ARG 595 -8.317 -12.650 11.036 381 HG3 ARG 595 HG1 ARG 595 -7.900 -14.131 10.175 382 HD2 ARG 595 HD2 ARG 595 -9.798 -15.278 11.031 383 HD3 ARG 595 HD1 ARG 595 -10.084 -14.065 12.286 384 HE ARG 595 HE ARG 595 -10.397 -13.435 9.400 385 HH11 ARG 595 HH11 ARG 595 -11.785 -13.530 12.636 386 HH12 ARG 595 HH12 ARG 595 -13.159 -12.565 12.200 387 HH21 ARG 595 HH21 ARG 595 -12.223 -12.188 8.848 388 HH22 ARG 595 HH22 ARG 595 -13.418 -11.813 10.051 389 H TYR 596 HN TYR 596 -6.793 -15.507 14.981 390 HA TYR 596 HA TYR 596 -8.976 -17.203 15.482 391 HB2 TYR 596 HB2 TYR 596 -6.643 -17.918 15.656 392 HB3 TYR 596 HB1 TYR 596 -6.362 -16.829 17.006 393 HD1 TYR 596 HD2 TYR 596 -8.883 -19.525 16.198 394 HD2 TYR 596 HD1 TYR 596 -6.095 -17.989 19.047 395 HE1 TYR 596 HE2 TYR 596 -9.398 -21.390 17.708 396 HE2 TYR 596 HE1 TYR 596 -6.614 -19.858 20.561 397 HH TYR 596 HH TYR 596 -8.506 -21.460 20.941 398 H LYS 597 HN LYS 597 -7.678 -14.470 17.316 399 HA LYS 597 HA LYS 597 -9.334 -14.572 19.600 400 HB2 LYS 597 HB2 LYS 597 -7.393 -13.098 19.566 401 HB3 LYS 597 HB1 LYS 597 -8.011 -12.226 18.172 402 HG2 LYS 597 HG2 LYS 597 -9.894 -11.371 19.586 403 HG3 LYS 597 HG1 LYS 597 -9.166 -12.174 20.981 404 HD2 LYS 597 HD2 LYS 597 -7.858 -9.977 19.315 405 HD3 LYS 597 HD1 LYS 597 -8.621 -9.744 20.892 406 HE2 LYS 597 HE2 LYS 597 -6.175 -11.477 20.350 407 HE3 LYS 597 HE1 LYS 597 -6.159 -9.865 21.066 408 HZ1 LYS 597 HZ1 LYS 597 -7.466 -12.263 22.237 409 HZ2 LYS 597 HZ2 LYS 597 -7.447 -10.717 22.918 410 HZ3 LYS 597 HZ3 LYS 597 -6.006 -11.579 22.745 411 H GLU 598 HN GLU 598 -9.716 -12.710 16.562 412 HA GLU 598 HA GLU 598 -12.195 -11.539 16.905 413 HB2 GLU 598 HB2 GLU 598 -11.094 -12.729 14.319 414 HB3 GLU 598 HB1 GLU 598 -12.396 -11.547 14.416 415 HG2 GLU 598 HG2 GLU 598 -9.574 -11.016 15.385 416 HG3 GLU 598 HG1 GLU 598 -10.120 -10.671 13.748 417 H LEU 599 HN LEU 599 -11.454 -14.838 15.820 418 HA LEU 599 HA LEU 599 -14.065 -15.616 15.032 419 HB2 LEU 599 HB2 LEU 599 -11.770 -17.395 15.951 420 HB3 LEU 599 HB1 LEU 599 -13.189 -17.928 15.054 421 HG LEU 599 HG LEU 599 -11.043 -16.042 14.028 422 HD11 LEU 599 HD11 LEU 599 -11.619 -18.887 13.205 423 HD12 LEU 599 HD12 LEU 599 -10.234 -18.324 14.145 424 HD13 LEU 599 HD13 LEU 599 -10.429 -17.806 12.472 425 HD21 LEU 599 HD21 LEU 599 -13.493 -17.073 12.587 426 HD22 LEU 599 HD22 LEU 599 -12.170 -16.162 11.852 427 HD23 LEU 599 HD23 LEU 599 -13.176 -15.405 13.081 428 H VAL 600 HN VAL 600 -12.216 -16.339 18.000 429 HA VAL 600 HA VAL 600 -14.215 -17.787 19.368 430 HB VAL 600 HB VAL 600 -11.865 -16.176 20.484 431 HG11 VAL 600 HG11 VAL 600 -12.104 -17.514 22.566 432 HG12 VAL 600 HG12 VAL 600 -13.584 -18.236 21.933 433 HG13 VAL 600 HG13 VAL 600 -13.527 -16.507 22.273 434 HG21 VAL 600 HG21 VAL 600 -11.185 -18.017 18.981 435 HG22 VAL 600 HG22 VAL 600 -12.122 -19.165 19.940 436 HG23 VAL 600 HG23 VAL 600 -10.717 -18.364 20.647 437 H GLU 601 HN GLU 601 -13.315 -14.374 19.504 438 HA GLU 601 HA GLU 601 -15.102 -13.424 21.406 439 HB2 GLU 601 HB2 GLU 601 -13.426 -12.198 19.249 440 HB3 GLU 601 HB1 GLU 601 -14.719 -11.193 19.874 441 HG2 GLU 601 HG2 GLU 601 -12.359 -10.976 20.915 442 HG3 GLU 601 HG1 GLU 601 -13.760 -10.996 21.982 443 H MET 602 HN MET 602 -15.608 -13.852 17.898 444 HA MET 602 HA MET 602 -18.191 -12.573 17.876 445 HB2 MET 602 HB2 MET 602 -16.789 -14.335 15.832 446 HB3 MET 602 HB1 MET 602 -18.412 -13.704 15.573 447 HG2 MET 602 HG2 MET 602 -17.540 -11.397 15.737 448 HG3 MET 602 HG1 MET 602 -15.910 -12.033 15.966 449 HE1 MET 602 HE1 MET 602 -15.949 -14.522 13.889 450 HE2 MET 602 HE2 MET 602 -14.590 -13.408 14.057 451 HE3 MET 602 HE3 MET 602 -15.261 -13.745 12.462 452 H VAL 603 HN VAL 603 -17.068 -15.940 18.118 453 HA VAL 603 HA VAL 603 -19.551 -17.270 17.905 454 HB VAL 603 HB VAL 603 -16.998 -18.079 19.376 455 HG11 VAL 603 HG11 VAL 603 -18.860 -19.310 20.402 456 HG12 VAL 603 HG12 VAL 603 -17.885 -20.405 19.426 457 HG13 VAL 603 HG13 VAL 603 -19.435 -19.824 18.812 458 HG21 VAL 603 HG21 VAL 603 -16.762 -17.872 16.920 459 HG22 VAL 603 HG22 VAL 603 -18.104 -18.991 16.685 460 HG23 VAL 603 HG23 VAL 603 -16.605 -19.553 17.430 461 H LYS 604 HN LYS 604 -17.758 -16.229 20.811 462 HA LYS 604 HA LYS 604 -19.716 -17.045 22.704 463 HB2 LYS 604 HB2 LYS 604 -18.370 -15.804 24.365 464 HB3 LYS 604 HB1 LYS 604 -17.360 -16.811 23.330 465 HG2 LYS 604 HG2 LYS 604 -16.851 -14.771 21.954 466 HG3 LYS 604 HG1 LYS 604 -17.713 -13.802 23.147 467 HD2 LYS 604 HD2 LYS 604 -15.309 -15.549 23.809 468 HD3 LYS 604 HD1 LYS 604 -15.181 -13.852 23.354 469 HE2 LYS 604 HE2 LYS 604 -16.712 -13.330 25.325 470 HE3 LYS 604 HE1 LYS 604 -16.490 -15.011 25.828 471 HZ1 LYS 604 HZ1 LYS 604 -14.144 -14.638 26.013 472 HZ2 LYS 604 HZ2 LYS 604 -14.952 -13.445 26.899 473 HZ3 LYS 604 HZ3 LYS 604 -14.286 -13.073 25.387 474 H ALA 605 HN ALA 605 -19.231 -14.060 20.890 475 HA ALA 605 HA ALA 605 -20.928 -12.364 22.429 476 HB1 ALA 605 HB1 ALA 605 -20.848 -10.848 20.496 477 HB2 ALA 605 HB2 ALA 605 -20.167 -12.139 19.497 478 HB3 ALA 605 HB3 ALA 605 -19.244 -11.494 20.855 479 H LYS 606 HN LYS 606 -21.487 -14.252 19.463 480 HA LYS 606 HA LYS 606 -24.222 -13.504 19.115 481 HB2 LYS 606 HB2 LYS 606 -22.614 -15.826 17.979 482 HB3 LYS 606 HB1 LYS 606 -24.263 -15.445 17.478 483 HG2 LYS 606 HG2 LYS 606 -23.521 -13.250 16.648 484 HG3 LYS 606 HG1 LYS 606 -21.869 -13.593 17.178 485 HD2 LYS 606 HD2 LYS 606 -23.425 -15.140 15.063 486 HD3 LYS 606 HD1 LYS 606 -22.147 -13.965 14.749 487 HE2 LYS 606 HE2 LYS 606 -20.519 -15.431 15.908 488 HE3 LYS 606 HE1 LYS 606 -21.801 -16.600 16.235 489 HZ1 LYS 606 HZ1 LYS 606 -22.082 -16.896 13.860 490 HZ2 LYS 606 HZ2 LYS 606 -20.489 -17.224 14.324 491 HZ3 LYS 606 HZ3 LYS 606 -20.859 -15.769 13.552 492 H LYS 607 HN LYS 607 -22.618 -16.269 20.667 493 HA LYS 607 HA LYS 607 -25.010 -17.765 21.126 494 HB2 LYS 607 HB2 LYS 607 -23.695 -19.355 22.237 495 HB3 LYS 607 HB1 LYS 607 -22.570 -18.647 21.103 496 HG2 LYS 607 HG2 LYS 607 -21.229 -18.763 22.965 497 HG3 LYS 607 HG1 LYS 607 -21.887 -17.139 23.169 498 HD2 LYS 607 HD2 LYS 607 -23.647 -18.137 24.698 499 HD3 LYS 607 HD1 LYS 607 -22.793 -19.678 24.586 500 HE2 LYS 607 HE2 LYS 607 -20.805 -18.666 25.627 501 HE3 LYS 607 HE1 LYS 607 -21.603 -17.089 25.653 502 HZ1 LYS 607 HZ1 LYS 607 -21.679 -18.280 27.792 503 HZ2 LYS 607 HZ2 LYS 607 -22.627 -19.483 27.076 504 HZ3 LYS 607 HZ3 LYS 607 -23.208 -17.898 27.188 505 H ALA 608 HN ALA 608 -23.260 -15.290 22.945 506 HA ALA 608 HA ALA 608 -24.821 -15.484 25.353 507 HB1 ALA 608 HB1 ALA 608 -23.757 -13.351 25.979 508 HB2 ALA 608 HB2 ALA 608 -23.120 -13.177 24.341 509 HB3 ALA 608 HB3 ALA 608 -22.559 -14.498 25.366 510 H ALA 609 HN ALA 609 -25.073 -13.730 22.319 511 HA ALA 609 HA ALA 609 -27.164 -11.926 23.042 512 HB1 ALA 609 HB1 ALA 609 -26.457 -13.015 20.294 513 HB2 ALA 609 HB2 ALA 609 -25.761 -11.581 21.046 514 HB3 ALA 609 HB3 ALA 609 -27.473 -11.604 20.625 515 H GLN 610 HN GLN 610 -27.094 -15.268 21.917 516 HA GLN 610 HA GLN 610 -29.953 -15.619 21.758 517 HB2 GLN 610 HB2 GLN 610 -28.386 -17.129 20.550 518 HB3 GLN 610 HB1 GLN 610 -27.716 -17.683 22.082 519 HG2 GLN 610 HG2 GLN 610 -29.976 -18.609 22.665 520 HG3 GLN 610 HG1 GLN 610 -30.542 -18.146 21.059 521 HE21 GLN 610 HE21 GLN 610 -30.999 -20.292 20.474 522 HE22 GLN 610 HE22 GLN 610 -29.763 -21.457 20.156 523 H GLU 611 HN GLU 611 -27.435 -16.386 24.140 524 HA GLU 611 HA GLU 611 -29.000 -18.052 25.787 525 HB2 GLU 611 HB2 GLU 611 -26.449 -18.018 25.477 526 HB3 GLU 611 HB1 GLU 611 -26.411 -16.645 26.572 527 HG2 GLU 611 HG2 GLU 611 -27.471 -19.396 27.301 528 HG3 GLU 611 HG1 GLU 611 -25.817 -18.871 27.580 529 H GLN 612 HN GLN 612 -27.693 -14.799 26.434 530 HA GLN 612 HA GLN 612 -28.858 -14.447 28.973 531 HB2 GLN 612 HB2 GLN 612 -27.918 -12.326 27.001 532 HB3 GLN 612 HB1 GLN 612 -28.174 -12.075 28.724 533 HG2 GLN 612 HG2 GLN 612 -26.158 -14.078 27.671 534 HG3 GLN 612 HG1 GLN 612 -25.755 -12.380 27.899 535 HE21 GLN 612 HE21 GLN 612 -24.176 -12.872 29.438 536 HE22 GLN 612 HE22 GLN 612 -24.563 -13.397 31.037 537 H VAL 613 HN VAL 613 -29.984 -13.576 25.734 538 HA VAL 613 HA VAL 613 -32.306 -12.091 26.596 539 HB VAL 613 HB VAL 613 -31.540 -13.202 23.858 540 HG11 VAL 613 HG11 VAL 613 -33.791 -11.257 24.519 541 HG12 VAL 613 HG12 VAL 613 -33.979 -12.904 23.910 542 HG13 VAL 613 HG13 VAL 613 -33.242 -11.667 22.892 543 HG21 VAL 613 HG21 VAL 613 -29.983 -11.480 24.684 544 HG22 VAL 613 HG22 VAL 613 -31.329 -10.374 24.970 545 HG23 VAL 613 HG23 VAL 613 -30.923 -10.863 23.323 546 H LEU 614 HN LEU 614 -31.645 -15.459 25.802 547 HA LEU 614 HA LEU 614 -34.367 -16.298 25.395 548 HB2 LEU 614 HB2 LEU 614 -32.297 -17.437 24.459 549 HB3 LEU 614 HB1 LEU 614 -31.954 -18.049 26.064 550 HG LEU 614 HG LEU 614 -34.569 -18.734 24.655 551 HD11 LEU 614 HD11 LEU 614 -32.758 -19.337 23.105 552 HD12 LEU 614 HD12 LEU 614 -33.546 -20.769 23.761 553 HD13 LEU 614 HD13 LEU 614 -31.966 -20.273 24.376 554 HD21 LEU 614 HD21 LEU 614 -34.441 -19.307 27.063 555 HD22 LEU 614 HD22 LEU 614 -32.987 -20.260 26.764 556 HD23 LEU 614 HD23 LEU 614 -34.528 -20.755 26.059 557 H ASN 615 HN ASN 615 -32.028 -16.568 28.072 558 HA ASN 615 HA ASN 615 -33.728 -17.831 29.946 559 HB2 ASN 615 HB2 ASN 615 -31.252 -17.727 30.188 560 HB3 ASN 615 HB1 ASN 615 -31.352 -15.995 30.477 561 HD21 ASN 615 HD21 ASN 615 -30.500 -16.036 32.545 562 HD22 ASN 615 HD22 ASN 615 -31.284 -16.784 33.893 563 H ALA 616 HN ALA 616 -33.116 -14.420 29.198 564 HA ALA 616 HA ALA 616 -34.747 -13.226 31.189 565 HB1 ALA 616 HB1 ALA 616 -33.077 -11.967 29.882 566 HB2 ALA 616 HB2 ALA 616 -34.671 -11.218 29.759 567 HB3 ALA 616 HB3 ALA 616 -34.044 -12.186 28.422 568 H SER 617 HN SER 617 -35.438 -14.528 27.983 569 HA SER 617 HA SER 617 -38.163 -13.637 27.789 570 HB2 SER 617 HB2 SER 617 -36.851 -14.092 25.766 571 HB3 SER 617 HB1 SER 617 -36.629 -15.772 26.246 572 HG SER 617 HG SER 617 -38.633 -16.226 25.650 573 H ARG 618 HN ARG 618 -36.574 -16.421 29.210 574 HA ARG 618 HA ARG 618 -38.867 -18.069 29.605 575 HB2 ARG 618 HB2 ARG 618 -36.291 -17.931 31.240 576 HB3 ARG 618 HB1 ARG 618 -37.494 -19.212 31.351 577 HG2 ARG 618 HG2 ARG 618 -35.864 -18.577 28.863 578 HG3 ARG 618 HG1 ARG 618 -35.477 -19.844 30.028 579 HD2 ARG 618 HD2 ARG 618 -38.053 -19.717 28.411 580 HD3 ARG 618 HD1 ARG 618 -36.640 -20.682 27.975 581 HE ARG 618 HE ARG 618 -37.102 -21.588 30.428 582 HH11 ARG 618 HH11 ARG 618 -39.456 -21.015 27.874 583 HH12 ARG 618 HH12 ARG 618 -40.445 -22.360 28.339 584 HH21 ARG 618 HH21 ARG 618 -38.397 -23.345 30.992 585 HH22 ARG 618 HH22 ARG 618 -39.849 -23.670 30.100 586 H ALA 619 HN ALA 619 -37.331 -15.472 31.443 587 HA ALA 619 HA ALA 619 -37.897 -14.177 33.212 588 HB1 ALA 619 HB1 ALA 619 -39.784 -13.586 31.729 589 HB2 ALA 619 HB2 ALA 619 -40.265 -13.526 33.426 590 HB3 ALA 619 HB3 ALA 619 -40.744 -14.897 32.422 591 H LYS 620 HN LYS 620 -37.335 -16.952 33.678 592 HA LYS 620 HA LYS 620 -38.107 -17.467 36.345 593 HB2 LYS 620 HB2 LYS 620 -40.322 -18.004 35.299 594 HB3 LYS 620 HB1 LYS 620 -39.536 -19.139 34.204 595 HG2 LYS 620 HG2 LYS 620 -38.831 -20.475 36.233 596 HG3 LYS 620 HG1 LYS 620 -39.824 -19.394 37.220 597 HD2 LYS 620 HD2 LYS 620 -41.833 -20.085 35.947 598 HD3 LYS 620 HD1 LYS 620 -40.835 -21.140 34.937 599 HE2 LYS 620 HE2 LYS 620 -41.228 -21.426 37.938 600 HE3 LYS 620 HE1 LYS 620 -42.019 -22.404 36.699 601 HZ1 LYS 620 HZ1 LYS 620 -39.850 -23.208 36.004 602 HZ2 LYS 620 HZ2 LYS 620 -40.113 -23.540 37.638 603 HZ3 LYS 620 HZ3 LYS 620 -39.086 -22.274 37.191 604 H LYS 621 HN LYS 621 -36.897 -19.290 37.155 605 HA LYS 621 HA LYS 621 -34.976 -20.522 35.310 606 HB2 LYS 621 HB2 LYS 621 -34.287 -19.651 37.628 607 HB3 LYS 621 HB1 LYS 621 -35.201 -20.981 38.322 608 HG2 LYS 621 HG2 LYS 621 -32.865 -21.596 38.250 609 HG3 LYS 621 HG1 LYS 621 -33.749 -22.594 37.087 610 HD2 LYS 621 HD2 LYS 621 -33.012 -21.022 35.259 611 HD3 LYS 621 HD1 LYS 621 -32.056 -20.137 36.450 612 HE2 LYS 621 HE2 LYS 621 -30.598 -21.624 35.222 613 HE3 LYS 621 HE1 LYS 621 -30.745 -22.233 36.870 614 HZ1 LYS 621 HZ1 LYS 621 -30.896 -23.983 35.193 615 HZ2 LYS 621 HZ2 LYS 621 -32.274 -23.250 34.538 616 HZ3 LYS 621 HZ3 LYS 621 -32.312 -23.869 36.109
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